G4M0K4_SCHMA Loading...

60S ribosomal protein L10, putative

AlphaFold DB , UniProt , Accession G4M0K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 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
1M55.4Low89.8Confident132 Ų13295.8 Ų95.865%0.6548%0.481SS*.  0119.30-118.3-172.7-89.300109K101 M102M1-K101 HydrophobicContact CE-CD 4.41Å; M1-K101 HydrophobicContact CE-CG 3.93Å; M1-K101 HydrophobicContact SD-CG 3.97Å; M1-M102 WeakPolarHBondContact CE-O 3.45Å
2G78.9Confident90.4Very high73 Ų7389.1 Ų89.175%0.75345%0.449SS*.PPolyproline II helixtrans-68.4172.6179.600000113.5
3R87.1Confident90.8Very high119 Ų11995.4 Ų95.445%0.44947%0.472SS..PPolyproline II helixtrans-64.7138.8174.8-173.8177.8175.1-139.70.2109.8S61 E63R3-S61 PolarHBondContact NH2-OG 3.34Å; R3-E63 IonicContact CZ-OE1 3.21Å; R3-E63 IonicContact CZ-OE2 3.86Å; R3-E63 VanDerWaalsContact CZ-OE2 3.32Å; R3-E63 IonicContact NE-OE1 2.68Å; R3-E63 PolarHBondContact NE-OE1 2.9Å; R3-E63 IonicContact NE-OE2 3.32Å; R3-E63 VanDerWaalsContact NH1-CB 3.31Å; R3-E63 IonicContact NH1-OE1 2.96Å; R3-E63 IonicContact NH1-OE2 3.71Å; R3-E63 IonicContact NH2-OE1 2.87Å; R3-E63 PolarHBondContact NH2-OE1 3.34Å; R3-E63 IonicContact NH2-OE2 2.69Å; R3-E63 PolarHBondContact NH2-OE2 2.96Å
4R92.6Very high91.1Very high98 Ų9895.9 Ų95.937%0.3748%0.478SS..PPolyproline II helixtrans-63.5148.2173.8-79.3-169.1177.1170.52.2110.9Y9 I99 N100R4-Y9 HydrophobicContact CB-CE2 3.93Å; R4-I99 HydrophobicContact CG-CD1 3.97Å; R4-N100 PolarHBondContact NH2-O 3.45Å
5P95.7Very high91.6Very high71 Ų71102.1 Ų102.146%0.46150%0.5SS..PPolyproline II helixtrans-60.6142.3174.126.8-34.7000110.6R7 C8P5-R7 HydrophobicContact CB-CG 4.15Å; P5-R7 HydrophobicContact CG-CG 4.11Å; P5-R7 PolarHBondContact O-N 3.48Å; P5-C8 PolarHBondContact O-N 3.2Å; P5-C8 VanDerWaalsContact O-N 3.14Å
6A95.6Very high91.9Very high56 Ų56101.7 Ų101.746%0.46351%0.508SS..G310 helixtrans-62-19.3-174.200000113.5C8 Y9 R10A6-C8 PolarHBondContact O-N 3.28Å; A6-C8 VanDerWaalsContact O-N 3.09Å; A6-Y9 CarbonylContact O-C 3.5Å; A6-Y9 PolarHBondContact O-N 2.85Å; A6-R10 PolarHBondContact O-N 2.88Å
7R95.8Very high92.3Very high207 Ų20798.6 Ų98.678%0.78149%0.489SS*.G310 helixtrans-52.8-31173.773.3-178.8-179.6-174.9-0.1113.4P5 Y9P5-R7 HydrophobicContact CB-CG 4.15Å; P5-R7 HydrophobicContact CG-CG 4.11Å; P5-R7 PolarHBondContact O-N 3.48Å; R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 3.37Å
8C95.8Very high92.6Very high72 Ų7296.7 Ų96.749%0.48649%0.485SS..G310 helixtrans-69.1-26178.8-61.10000113.2P5 A6P5-C8 PolarHBondContact O-N 3.2Å; P5-C8 VanDerWaalsContact O-N 3.14Å; A6-C8 PolarHBondContact O-N 3.28Å; A6-C8 VanDerWaalsContact O-N 3.09Å
9Y96.8Very high92.8Very high38 Ų3898.4 Ų98.415%0.14949%0.489CS..THydrogen-bonded Turntrans-1197.1-173.1-52.5-65.3000112.9R4 A6 R7 Y11 Q59 I97R4-Y9 HydrophobicContact CB-CE2 3.93Å; A6-Y9 CarbonylContact O-C 3.5Å; A6-Y9 PolarHBondContact O-N 2.85Å; R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 3.37Å; Y9-Y11 PolarHBondContact O-N 3.09Å; Y9-Q59 VanDerWaalsContact O-CB 3.3Å; Y9-Q59 WeakPolarHBondContact O-CB 3.29Å; Y9-Q59 PolarHBondContact O-OE1 3.24Å; Y9-I97 HydrophobicContact CD1-CB 3.9Å; Y9-I97 HydrophobicContact CD1-CD1 4.17Å; Y9-I97 HydrophobicContact CD1-CG2 3.87Å; Y9-I97 HydrophobicContact CD2-CD1 3.59Å; Y9-I97 HydrophobicContact CE1-CB 4.06Å; Y9-I97 HydrophobicContact CE1-CD1 4.25Å; Y9-I97 HydrophobicContact CE2-CD1 3.65Å; Y9-I97 HydrophobicContact CG-CB 4.3Å; Y9-I97 HydrophobicContact CG-CD1 3.85Å; Y9-I97 HydrophobicContact CG-CG2 4.05Å
10R96.8Very high93Very high66 Ų6695.8 Ų95.825%0.24948%0.481CS..  trans-61.2-42.9-174-178177.1179.3-172.3-7112.8A6 E56 E58 Q59 P160A6-R10 PolarHBondContact O-N 2.88Å; R10-E56 IonicContact CZ-OE2 3.36Å; R10-E56 IonicContact NE-OE2 3.2Å; R10-E56 IonicContact NH2-OE1 3.84Å; R10-E56 PolarHBondContact NH2-OE1 3.42Å; R10-E56 IonicContact NH2-OE2 2.86Å; R10-E56 PolarHBondContact NH2-OE2 2.96Å; R10-E58 HydrophobicContact CG-CB 4.25Å; R10-E58 IonicContact CZ-OE2 2.72Å; R10-E58 IonicContact NE-OE2 2.84Å; R10-E58 PolarHBondContact NE-OE2 3.23Å; R10-E58 IonicContact NH2-OE2 3.36Å; R10-E58 CarbonylContact O-C 3.56Å; R10-E58 VanDerWaalsContact O-CA 3.31Å; R10-E58 WeakPolarHBondContact O-CA 3.09Å; R10-E58 VanDerWaalsContact O-CB 3.3Å; R10-E58 WeakPolarHBondContact O-CB 3.36Å; R10-Q59 PolarHBondContact O-N 3.31Å; R10-P160 HydrophobicContact CG-CB 4.43Å
11Y97.5Very high93.2Very high122 Ų122100.2 Ų100.248%0.47849%0.492SS..SBendtrans-95.4141.5-170.9-59.2-65.9000113Y9 K13Y9-Y11 PolarHBondContact O-N 3.09Å; Y11-K13 VanDerWaalsContact C-N 3.29Å; Y11-K13 PolarHBondContact O-N 2.86Å
12C96.5Very high95.1Very high15 Ų15101.3 Ų101.310%0.10149%0.493CS..  trans-74.568.9177.2-80.70000113.1Y57 E58 Q59 R128C12-Y57 HydrophobicContact CB-CD1 3.82Å; C12-Y57 HydrophobicContact CB-CE1 3.16Å; C12-Y57 HydrophobicContact CB-CE2 4Å; C12-Y57 HydrophobicContact CB-CG 4.49Å; C12-E58 PolarHBondContact SG-O 3.45Å; C12-E58 VanDerWaalsContact SG-O 3.4Å; C12-Q59 WeakPolarHBondContact SG-CG 3.42Å; C12-R128 PolarHBondContact SG-NE 2.87Å; C12-R128 VanDerWaalsContact SG-NE 3.38Å
13K96.3Very high95.9Very high171 Ų17198 Ų9874%0.74346%0.458SS*.  trans-87.5-34.8-175.1-57-175.8-177.4-171.10114.6Y11Y11-K13 VanDerWaalsContact C-N 3.29Å; Y11-K13 PolarHBondContact O-N 2.86Å
14N95Very high96.3Very high103 Ų103102.1 Ų102.155%0.55147%0.474SS*.SBendtrans-93.8161.9-173.8-63.5-32.4000111.8R128N14-R128 PolarHBondContact O-NH1 3.27Å; N14-R128 PolarHBondContact O-NH2 3.43Å
15K97.6Very high96.4Very high188 Ų188100.9 Ų100.982%0.81749%0.492SS*.PPolyproline II helixtrans-59.9148.1166.8-69178.5-174.3-90.30110.5Y17 H95K15-Y17 PolarHBondContact O-N 3.2Å; K15-H95 PolarHBondContact O-CE1 3.07Å
16P97.7Very high96.4Very high96 Ų9698 Ų9862%0.62347%0.473SS*.PPolyproline II helixtrans-54.5125.2176-24.533.1000112P18P16-P18 WeakPolarHBondContact O-CD 3.38Å
17Y97.5Very high96.4Very high49 Ų4997.9 Ų97.919%0.19247%0.467CS..  trans-121.587.8-179.8-170.9-119.3000109.9K15 C23 H95 V96 R98K15-Y17 PolarHBondContact O-N 3.2Å; Y17-C23 HydrophobicContact CE1-CB 3.93Å; Y17-C23 WeakPolarHBondContact CE1-SG 3.47Å; Y17-C23 HydrophobicContact CE2-CB 4.11Å; Y17-C23 WeakPolarHBondContact OH-CB 3.42Å; Y17-C23 PolarHBondContact OH-SG 2.86Å; Y17-C23 VanDerWaalsContact OH-SG 3.41Å; Y17-H95 PolarHBondContact N-CE1 3Å; Y17-H95 PolarHBondContact N-ND1 3.35Å; Y17-V96 HydrophobicContact CD1-CB 4.05Å; Y17-V96 HydrophobicContact CD1-CG1 4.47Å; Y17-V96 WeakPolarHBondContact O-CB 3.46Å; Y17-V96 PolarHBondContact O-N 3.47Å; Y17-R98 HydrophobicContact CD1-CG 4.33Å; Y17-R98 VanDerWaalsContact CD1-NH1 3.31Å; Y17-R98 HydrophobicContact CE1-CG 4.15Å; Y17-R98 VanDerWaalsContact CE1-NH1 3.29Å
18P97.6Very high96.4Very high64 Ų6492 Ų9242%0.41645%0.451SS..BIsolated β-bridgetrans-82.8163.9-177.633.1-35000112.8P16 S20 C23 F94P16-P18 WeakPolarHBondContact O-CD 3.38Å; P18-S20 PolarHBondContact O-N 3.12Å; P18-S20 PolarHBondContact O-OG 3.26Å; P18-C23 WeakPolarHBondContact O-CB 3.39Å; P18-F94 WeakPolarHBondContact CA-O 3.43Å
19K96.9Very high96.5Very high130 Ų13090.1 Ų90.157%0.56544%0.438SS*.SBendtrans-60.5119.2163.6-173.9174.6-176.81750107.9V26 D28K19-V26 HydrophobicContact CB-CB 4.4Å; K19-V26 HydrophobicContact CB-CG1 4.41Å; K19-V26 HydrophobicContact CB-CG2 4.25Å; K19-V26 HydrophobicContact CD-CB 4.12Å; K19-V26 HydrophobicContact CD-CG1 4.4Å; K19-V26 HydrophobicContact CG-CB 4.04Å; K19-V26 HydrophobicContact CG-CG1 4.49Å; K19-V26 HydrophobicContact CG-CG2 4.07Å; K19-D28 IonicContact NZ-OD1 3.84Å; K19-D28 PolarHBondContact NZ-OD1 3.44Å
20S96.5Very high96.5Very high45 Ų4594.9 Ų94.932%0.31546%0.46SS..  trans-152176.2-171.665.50000110.3P18 F22 C23P18-S20 PolarHBondContact O-N 3.12Å; P18-S20 PolarHBondContact O-OG 3.26Å; S20-F22 PolarHBondContact O-N 3.43Å; S20-F22 VanDerWaalsContact O-N 3.09Å; S20-F22 PolarHBondContact OG-N 2.91Å; S20-C23 CarbonylContact O-C 3.35Å; S20-C23 PolarHBondContact O-N 3.41Å; S20-C23 VanDerWaalsContact O-N 3.07Å; S20-C23 VanDerWaalsContact O-O 3.11Å; S20-C23 PolarHBondContact OG-N 3.24Å
21R97.1Very high96.5Very high190 Ų19091.8 Ų91.872%0.71745%0.448SS*.SBendtrans-57.7-23.7175.972.6-176.7-158175.45.8113.9R24R21-R24 PolarHBondContact O-NE 3.18Å
22F96.7Very high96.5Very high155 Ų15593.5 Ų93.568%0.6845%0.454SS*.SBendtrans-93.7-25.6178.6-49.1-69.9000113S20S20-F22 PolarHBondContact O-N 3.43Å; S20-F22 VanDerWaalsContact O-N 3.09Å; S20-F22 PolarHBondContact OG-N 2.91Å
23C95.3Very high96.5Very high2 Ų297.3 Ų97.31%0.01447%0.472CS..SBendtrans-106.681.6177.7-173.40000109.8Y17 P18 S20 V26Y17-C23 HydrophobicContact CE1-CB 3.93Å; Y17-C23 WeakPolarHBondContact CE1-SG 3.47Å; Y17-C23 HydrophobicContact CE2-CB 4.11Å; Y17-C23 WeakPolarHBondContact OH-CB 3.42Å; Y17-C23 PolarHBondContact OH-SG 2.86Å; Y17-C23 VanDerWaalsContact OH-SG 3.41Å; P18-C23 WeakPolarHBondContact O-CB 3.39Å; S20-C23 CarbonylContact O-C 3.35Å; S20-C23 PolarHBondContact O-N 3.41Å; S20-C23 VanDerWaalsContact O-N 3.07Å; S20-C23 VanDerWaalsContact O-O 3.11Å; S20-C23 PolarHBondContact OG-N 3.24Å; C23-V26 HydrophobicContact CB-CG2 4.39Å; C23-V26 VanDerWaalsContact O-CG2 3.32Å; C23-V26 WeakPolarHBondContact O-CG2 3.43Å; C23-V26 WeakPolarHBondContact SG-CG2 3.38Å
24R95.5Very high96.6Very high206 Ų20691 Ų9178%0.77745%0.445SS*.  trans-91.3162.3179.9-56.6-177-173.1-170.90.6111.2R21 V26R21-R24 PolarHBondContact O-NE 3.18Å; R24-V26 VanDerWaalsContact C-N 3.27Å; R24-V26 PolarHBondContact O-N 2.91Å
25G93.9Very high96.7Very high73 Ų7388.5 Ų88.575%0.75343%0.431SS*.SBendtrans69.921.2179.100000114.4
26V95.9Very high96.7Very high11 Ų1180.1 Ų80.17%0.06740%0.395CS..PPolyproline II helixtrans-71.2125.2176.7-1790000109.3K19 C23 R24 V96 P122 T125K19-V26 HydrophobicContact CB-CB 4.4Å; K19-V26 HydrophobicContact CB-CG1 4.41Å; K19-V26 HydrophobicContact CB-CG2 4.25Å; K19-V26 HydrophobicContact CD-CB 4.12Å; K19-V26 HydrophobicContact CD-CG1 4.4Å; K19-V26 HydrophobicContact CG-CB 4.04Å; K19-V26 HydrophobicContact CG-CG1 4.49Å; K19-V26 HydrophobicContact CG-CG2 4.07Å; C23-V26 HydrophobicContact CB-CG2 4.39Å; C23-V26 VanDerWaalsContact O-CG2 3.32Å; C23-V26 WeakPolarHBondContact O-CG2 3.43Å; C23-V26 WeakPolarHBondContact SG-CG2 3.38Å; R24-V26 VanDerWaalsContact C-N 3.27Å; R24-V26 PolarHBondContact O-N 2.91Å; V26-V96 HydrophobicContact CB-CG2 4.44Å; V26-V96 HydrophobicContact CG1-CB 4.41Å; V26-V96 HydrophobicContact CG1-CG1 3.94Å; V26-V96 HydrophobicContact CG1-CG2 3.54Å; V26-V96 HydrophobicContact CG2-CG1 4.09Å; V26-V96 HydrophobicContact CG2-CG2 3.98Å; V26-P122 HydrophobicContact CB-CB 4.44Å; V26-P122 HydrophobicContact CG2-CB 4.05Å; V26-P122 HydrophobicContact CG2-CG 4.15Å; V26-T125 HydrophobicContact CG1-CG2 3.93Å
27P95.4Very high96.6Very high52 Ų5276.6 Ų76.634%0.33838%0.377SS..PPolyproline II helixtrans-67.4146.2174.228.4-33.1000110.2Q123P27-Q123 VanDerWaalsContact CG-C 3.48Å; P27-Q123 WeakPolarHBondContact CG-O 3.46Å
28D96.3Very high96.6Very high83 Ų8377.5 Ų77.544%0.44438%0.382SS..PPolyproline II helixtrans-67.9149.3179.2-79-11.7000112.6K19 R32K19-D28 IonicContact NZ-OD1 3.84Å; K19-D28 PolarHBondContact NZ-OD1 3.44Å; D28-R32 VanDerWaalsContact CB-CZ 3.48Å; D28-R32 IonicContact OD2-CZ 3.31Å; D28-R32 VanDerWaalsContact OD2-CZ 3.31Å; D28-R32 IonicContact OD2-NH1 2.99Å; D28-R32 PolarHBondContact OD2-NH1 2.95Å; D28-R32 IonicContact OD2-NH2 2.73Å; D28-R32 PolarHBondContact OD2-NH2 3.39Å
29P97Very high96.5Very high33 Ų3380.6 Ų80.621%0.21439%0.389CS..PPolyproline II helixtrans-62146.8178.326.4-34.5000111.8I31 P93 T125P29-I31 HydrophobicContact CB-CG2 4.37Å; P29-P93 HydrophobicContact CB-CG 3.67Å; P29-P93 HydrophobicContact CG-CG 4.46Å; P29-T125 WeakPolarHBondContact CA-OG1 3.32Å; P29-T125 WeakPolarHBondContact CB-OG1 3.14Å
30K97Very high96.4Very high139 Ų13983.4 Ų83.460%0.60440%0.401SS*.SBendtrans-67.3-38.6176.3-170.864.5-179.7178.20112.3R32 S62 E63 E66K30-R32 PolarHBondContact O-N 3.29Å; K30-S62 PolarHBondContact N-OG 2.69Å; K30-S62 VanDerWaalsContact N-OG 3.09Å; K30-E63 HydrophobicContact CB-CG 3.87Å; K30-E63 HydrophobicContact CG-CG 4.15Å; K30-E66 HydrophobicContact CG-CB 4.18Å; K30-E66 HydrophobicContact CG-CG 4.22Å
31I97.7Very high96.4Very high0 Ų081.2 Ų81.20%039%0.386CS..  trans-71.9123.8170.4-176.3167.1000109.8P29 F34 L65 E66 I89 P93P29-I31 HydrophobicContact CB-CG2 4.37Å; I31-F34 HydrophobicContact CD1-CD1 4.02Å; I31-F34 HydrophobicContact CD1-CE1 3.9Å; I31-F34 HydrophobicContact CD1-CZ 4.34Å; I31-F34 HydrophobicContact CG1-CE1 4.25Å; I31-F34 HydrophobicContact CG1-CE2 4.45Å; I31-F34 HydrophobicContact CG1-CZ 4.19Å; I31-F34 HydrophobicContact CG2-CE1 4.23Å; I31-F34 HydrophobicContact CG2-CZ 3.93Å; I31-L65 HydrophobicContact CB-CB 4.39Å; I31-L65 HydrophobicContact CD1-CB 4.04Å; I31-L65 HydrophobicContact CG2-CB 4.21Å; I31-L65 HydrophobicContact CG2-CD1 4.38Å; I31-E66 HydrophobicContact CB-CB 4.15Å; I31-I89 HydrophobicContact CD1-CB 4.16Å; I31-I89 HydrophobicContact CD1-CG1 3.83Å; I31-I89 HydrophobicContact CD1-CG2 4.03Å; I31-P93 HydrophobicContact CG2-CG 3.83Å
32R97Very high96.4Very high158 Ų15874.5 Ų74.560%0.59636%0.364SS*.  trans-114.9-25.6176.7-64.3-62.4-156.7169.13.6113D28 K30D28-R32 VanDerWaalsContact CB-CZ 3.48Å; D28-R32 IonicContact OD2-CZ 3.31Å; D28-R32 VanDerWaalsContact OD2-CZ 3.31Å; D28-R32 IonicContact OD2-NH1 2.99Å; D28-R32 PolarHBondContact OD2-NH1 2.95Å; D28-R32 IonicContact OD2-NH2 2.73Å; D28-R32 PolarHBondContact OD2-NH2 3.39Å; K30-R32 PolarHBondContact O-N 3.29Å
33I97.7Very high96.3Very high95 Ų9567.1 Ų67.149%0.48733%0.332SS..  trans-117.2120.9-174.6-61167.9000107.7D35 R69I33-D35 WeakPolarHBondContact CG2-O 3.28Å; I33-R69 WeakPolarHBondContact O-CD 3.42Å
34F98Very high96.3Very high40 Ų4072 Ų7218%0.17535%0.354CS..  trans-99.7-23.2-178.6-68.4-95.3000112.8I31 R88 I89 H92I31-F34 HydrophobicContact CD1-CD1 4.02Å; I31-F34 HydrophobicContact CD1-CE1 3.9Å; I31-F34 HydrophobicContact CD1-CZ 4.34Å; I31-F34 HydrophobicContact CG1-CE1 4.25Å; I31-F34 HydrophobicContact CG1-CE2 4.45Å; I31-F34 HydrophobicContact CG1-CZ 4.19Å; I31-F34 HydrophobicContact CG2-CE1 4.23Å; I31-F34 HydrophobicContact CG2-CZ 3.93Å; F34-R88 CarbonylContact O-C 3.52Å; F34-R88 VanDerWaalsContact O-CA 3.3Å; F34-R88 WeakPolarHBondContact O-CA 3.24Å; F34-I89 HydrophobicContact CB-CB 4.49Å; F34-I89 HydrophobicContact CD1-CB 3.89Å; F34-I89 HydrophobicContact CD1-CG2 3.91Å; F34-I89 HydrophobicContact CE1-CG2 4.29Å; F34-I89 PolarHBondContact O-N 3.3Å; F34-H92 AromaticContact CD1-CD2 3.75Å; F34-H92 AromaticContact CD1-CE1 3.99Å; F34-H92 AromaticContact CD1-NE2 3.52Å; F34-H92 HydrophobicContact CE1-CB 4.48Å; F34-H92 AromaticContact CE1-CD2 3.38Å; F34-H92 WeakPolarHBondContact CE1-CD2 3.39Å; F34-H92 AromaticContact CE1-CG 3.87Å; F34-H92 AromaticContact CE1-NE2 3.69Å; F34-H92 AromaticContact CE2-CD2 3.97Å; F34-H92 AromaticContact CG-NE2 3.74Å; F34-H92 AromaticContact CZ-CD2 3.5Å
35D97.5Very high96.3Very high49 Ų4965.3 Ų65.326%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-109.6138.7178.9-64.6-84.5000112I33 K39 H86 G87 R88I33-D35 WeakPolarHBondContact CG2-O 3.28Å; D35-K39 HydrophobicContact CB-CB 4.31Å; D35-H86 IonicContact OD1-CE1 3.01Å; D35-H86 IonicContact OD1-NE2 3.28Å; D35-H86 PolarHBondContact OD1-NE2 3.38Å; D35-G87 CarbonylContact C-O 3.58Å; D35-G87 WeakPolarHBondContact CA-O 3.16Å; D35-R88 IonicContact OD1-CZ 3.49Å; D35-R88 IonicContact OD1-NE 3.47Å; D35-R88 PolarHBondContact OD1-NE 3.39Å; D35-R88 IonicContact OD1-NH2 3.6Å; D35-R88 PolarHBondContact OD1-NH2 3.02Å
36L96.1Very high96.4Very high12 Ų1261.9 Ų61.96%0.06330%0.296CS..EExtended strand (participates in β ladder)trans-126.8159.1-174.9-53.9171.6000111R69 N73 F85 H86 G87L36-R69 HydrophobicContact CD1-CG 3.75Å; L36-R69 HydrophobicContact CD2-CG 3.67Å; L36-R69 HydrophobicContact CG-CG 4.09Å; L36-N73 HydrophobicContact CD1-CB 4.03Å; L36-N73 HydrophobicContact CD2-CB 4.4Å; L36-F85 HydrophobicContact CB-CE2 4.13Å; L36-H86 WeakPolarHBondContact O-CA 3.47Å; L36-H86 PolarHBondContact O-CD2 3.49Å; L36-G87 PolarHBondContact N-O 2.86Å; L36-G87 PolarHBondContact O-N 2.89Å; L36-G87 VanDerWaalsContact O-N 3.11Å
37G96.2Very high96.4Very high23 Ų2362.1 Ų62.124%0.23730%0.298CS..EExtended strand (participates in β ladder)trans67-147.8176.800000112.7K39 F85G37-K39 VanDerWaalsContact C-N 3.31Å; G37-K39 PolarHBondContact O-N 2.96Å; G37-F85 CarbonylContact C-O 3.44Å; G37-F85 WeakPolarHBondContact CA-O 3.45Å
38K96.8Very high96.5Very high68 Ų6859.6 Ų59.630%0.29628%0.282SS..  trans-8073.7-177.8-164.1-178.2174.3-165.80111.4K40 A41 E45 F46 K82 D83 F85K38-K40 PolarHBondContact O-N 3.39Å; K38-A41 HydrophobicContact CB-CB 4.24Å; K38-A41 HydrophobicContact CD-CB 3.89Å; K38-A41 HydrophobicContact CG-CB 3.89Å; K38-A41 VanDerWaalsContact O-CB 3.24Å; K38-A41 WeakPolarHBondContact O-CB 3.49Å; K38-A41 PolarHBondContact O-N 3.27Å; K38-E45 IonicContact NZ-OE1 3.79Å; K38-E45 IonicContact NZ-OE2 3.01Å; K38-E45 PolarHBondContact NZ-OE2 3.01Å; K38-F46 HydrophobicContact CB-CE2 4.25Å; K38-F46 HydrophobicContact CB-CZ 4.29Å; K38-F46 HydrophobicContact CD-CZ 4.42Å; K38-K82 PolarHBondContact N-O 3.11Å; K38-D83 HydrophobicContact CD-CB 4.28Å; K38-F85 PolarHBondContact N-O 3.28Å
39K95.8Very high96.6Very high128 Ų12855.7 Ų55.756%0.55726%0.261SS*.THydrogen-bonded Turntrans-61.8-21.1179.665.4-178.2178.2179.50115D35 G37 V195D35-K39 HydrophobicContact CB-CB 4.31Å; G37-K39 VanDerWaalsContact C-N 3.31Å; G37-K39 PolarHBondContact O-N 2.96Å; K39-V195 WeakPolarHBondContact O-CG2 3.38Å
40K95.9Very high96.6Very high189 Ų18954.1 Ų54.182%0.82225%0.25SS*.THydrogen-bonded Turntrans-89.8-1.2176-65.4-172177.6-174.50113.5K38 N42K38-K40 PolarHBondContact O-N 3.39Å; K40-N42 PolarHBondContact O-N 3.38Å
41A96Very high96.7Very high0 Ų049.2 Ų49.20%023%0.23CC..  trans-59.1138.8178.500000110.5K38 E45 F46 R139K38-A41 HydrophobicContact CB-CB 4.24Å; K38-A41 HydrophobicContact CD-CB 3.89Å; K38-A41 HydrophobicContact CG-CB 3.89Å; K38-A41 VanDerWaalsContact O-CB 3.24Å; K38-A41 WeakPolarHBondContact O-CB 3.49Å; K38-A41 PolarHBondContact O-N 3.27Å; A41-E45 HydrophobicContact CB-CB 4.45Å; A41-F46 HydrophobicContact CB-CD2 3.74Å; A41-F46 HydrophobicContact CB-CE2 3.23Å; A41-F46 HydrophobicContact CB-CZ 3.86Å; A41-R139 PolarHBondContact O-NH2 2.93Å
42N96.4Very high96.8Very high48 Ų4849.2 Ų49.226%0.25723%0.23SC..  trans-62.4155.1175.9-165.94.8000110.2K40 E44 E45 S192 G194K40-N42 PolarHBondContact O-N 3.38Å; N42-E44 PolarHBondContact O-N 2.72Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact N-OE1 2.86Å; N42-E45 PolarHBondContact O-N 3.23Å; N42-S192 WeakPolarHBondContact OD1-CB 3.34Å; N42-S192 PolarHBondContact OD1-OG 2.74Å; N42-G194 CarbonylContact C-O 3.45Å; N42-G194 WeakPolarHBondContact CA-O 3.41Å; N42-G194 PolarHBondContact OD1-O 3.3Å
43V95.4Very high96.8Very high0 Ų043.3 Ų43.30%021%0.21CC..G310 helixtrans-59.2-32.4179.366.30000112.4E45 W171 T174 F181 G194 V197V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 3.38Å; V43-W171 PolarHBondContact O-NE1 3.44Å; V43-T174 HydrophobicContact CG2-CG2 3.47Å; V43-T174 VanDerWaalsContact CG2-CG2 3.47Å; V43-F181 HydrophobicContact CG1-CZ 4.23Å; V43-F181 HydrophobicContact CG2-CE2 4.49Å; V43-F181 HydrophobicContact CG2-CZ 4.11Å; V43-G194 PolarHBondContact N-O 3.06Å; V43-V197 HydrophobicContact CB-CG1 4.37Å; V43-V197 HydrophobicContact CG1-CG1 3.68Å; V43-V197 HydrophobicContact CG2-CG1 4.04Å
44E93.9Very high96.8Very high105 Ų10538.8 Ų38.849%0.49119%0.187SC..G310 helixtrans-71.3-25.5179.8-66.5167-169.500113.2N42 F46N42-E44 PolarHBondContact O-N 2.72Å; E44-F46 PolarHBondContact O-N 3.11Å
45E95.6Very high96.8Very high66 Ų6639.3 Ų39.331%0.30819%0.191SC..G310 helixtrans-70.8-30-174.6-69.5-179.3-128.800113.4K38 A41 N42 V43 P47K38-E45 IonicContact NZ-OE1 3.79Å; K38-E45 IonicContact NZ-OE2 3.01Å; K38-E45 PolarHBondContact NZ-OE2 3.01Å; A41-E45 HydrophobicContact CB-CB 4.45Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact N-OE1 2.86Å; N42-E45 PolarHBondContact O-N 3.23Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 3.38Å; E45-P47 WeakPolarHBondContact O-CD 3.41Å
46F96.8Very high96.7Very high0 Ų039 Ų390%019%0.188CC..  trans-125.780.9-170.6-62.8-32.3000111.9K38 A41 E44 D83 S84 H86 R139 A140 R141 G172K38-F46 HydrophobicContact CB-CE2 4.25Å; K38-F46 HydrophobicContact CB-CZ 4.29Å; K38-F46 HydrophobicContact CD-CZ 4.42Å; A41-F46 HydrophobicContact CB-CD2 3.74Å; A41-F46 HydrophobicContact CB-CE2 3.23Å; A41-F46 HydrophobicContact CB-CZ 3.86Å; E44-F46 PolarHBondContact O-N 3.11Å; F46-D83 WeakPolarHBondContact CZ-O 3.22Å; F46-S84 WeakPolarHBondContact CE1-O 3.43Å; F46-H86 HydrophobicContact CD2-CB 4.11Å; F46-H86 HydrophobicContact CE2-CB 4.11Å; F46-R139 HydrophobicContact CB-CB 4.05Å; F46-R139 HydrophobicContact CB-CG 3.83Å; F46-R139 HydrophobicContact CD2-CG 4.03Å; F46-R139 HydrophobicContact CG-CG 4.36Å; F46-A140 CarbonylContact C-O 3.54Å; F46-A140 WeakPolarHBondContact CA-O 3.44Å; F46-R141 HydrophobicContact CD1-CG 4.04Å; F46-R141 HydrophobicContact CE1-CG 4.18Å; F46-G172 WeakPolarHBondContact O-CA 3.27Å
47P96.5Very high96.8Very high16 Ų1643.2 Ų43.210%0.10420%0.204CC..  trans-71.5-34.9-178.126.9-35000113.6E45 W171 G172E45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-W171 HydrophobicContact CB-CD2 3.95Å; P47-W171 HydrophobicContact CB-CE3 3.91Å; P47-W171 HydrophobicContact CB-CH2 3.67Å; P47-W171 HydrophobicContact CB-CZ2 3.67Å; P47-W171 HydrophobicContact CB-CZ3 3.77Å; P47-G172 PolarHBondContact O-N 2.95Å
48L97.5Very high96.8Very high0 Ų042.1 Ų42.10%019%0.193CC..EExtended strand (participates in β ladder)trans-69.1138-179.3178.567.3000109.7V50 R139 A140 D142 Q145 V167L48-V50 HydrophobicContact CD1-CG2 4.2Å; L48-V50 HydrophobicContact CD2-CG2 4.2Å; L48-V50 HydrophobicContact CG-CG2 4.12Å; L48-R139 CarbonylContact O-C 3.42Å; L48-R139 WeakPolarHBondContact O-CA 3.26Å; L48-R139 VanDerWaalsContact O-CB 3.28Å; L48-R139 WeakPolarHBondContact O-CB 3.41Å; L48-A140 WeakPolarHBondContact CB-O 3.36Å; L48-A140 PolarHBondContact N-O 3.11Å; L48-A140 PolarHBondContact O-N 3.19Å; L48-A140 VanDerWaalsContact O-N 3.11Å; L48-D142 WeakPolarHBondContact CB-OD1 3.46Å; L48-Q145 HydrophobicContact CD1-CB 4.44Å; L48-Q145 HydrophobicContact CD1-CG 4.21Å; L48-Q145 HydrophobicContact CD2-CB 3.73Å; L48-Q145 HydrophobicContact CD2-CG 4.18Å; L48-V167 HydrophobicContact CD1-CG1 3.87Å
49C97.5Very high96.9Very high0 Ų039.5 Ų39.50%018%0.181CC..EExtended strand (participates in β ladder)trans-133.9134163.6-166.70000111.6H51 V138 S168 G172C49-H51 PolarHBondContact SG-CE1 2.73Å; C49-V138 WeakPolarHBondContact CA-O 3.34Å; C49-S168 WeakPolarHBondContact O-CB 3.31Å; C49-S168 PolarHBondContact O-N 3.02Å; C49-G172 WeakPolarHBondContact CB-O 3.23Å; C49-G172 PolarHBondContact SG-O 3.06Å
50V98.3Very high97Very high0 Ų033.4 Ų33.40%016%0.155CC..EExtended strand (participates in β ladder)trans-125.5131.9174.7-166.20000108.7L48 S137 V138 V148 I149 L152 I165 A166 V167L48-V50 HydrophobicContact CD1-CG2 4.2Å; L48-V50 HydrophobicContact CD2-CG2 4.2Å; L48-V50 HydrophobicContact CG-CG2 4.12Å; V50-S137 WeakPolarHBondContact O-CA 3.39Å; V50-V138 PolarHBondContact N-O 2.97Å; V50-V138 PolarHBondContact O-N 3.33Å; V50-V148 HydrophobicContact CB-CG1 3.65Å; V50-V148 HydrophobicContact CG1-CG1 4.4Å; V50-V148 HydrophobicContact CG2-CB 4.22Å; V50-V148 HydrophobicContact CG2-CG1 3.61Å; V50-I149 HydrophobicContact CG1-CG1 4.16Å; V50-L152 HydrophobicContact CB-CD1 3.9Å; V50-L152 HydrophobicContact CG1-CD1 3.53Å; V50-I165 HydrophobicContact CG1-CG2 3.64Å; V50-A166 WeakPolarHBondContact CA-O 3.12Å; V50-A166 WeakPolarHBondContact CG1-O 3.44Å; V50-V167 HydrophobicContact CG1-CG2 4.42Å; V50-V167 HydrophobicContact CG2-CG2 4.32Å
51H98.4Very high97.1Very high36 Ų3625.1 Ų25.117%0.16712%0.121CC..EExtended strand (participates in β ladder)trans-110.4141.2-178.7-61.7-57.4000110.9C49 I53 V134 S137 I165 A166C49-H51 PolarHBondContact SG-CE1 2.73Å; H51-I53 HydrophobicContact CB-CD1 4.33Å; H51-I53 HydrophobicContact CB-CG1 4.12Å; H51-V134 HydrophobicContact CB-CG1 3.93Å; H51-V134 HydrophobicContact CB-CG2 4.3Å; H51-S137 PolarHBondContact CE1-OG 3.03Å; H51-S137 WeakPolarHBondContact ND1-CB 3.32Å; H51-S137 PolarHBondContact ND1-OG 3.45Å; H51-I165 WeakPolarHBondContact O-CA 3.04Å; H51-A166 PolarHBondContact N-O 3.23Å; H51-A166 PolarHBondContact O-N 3.24Å
52M98.4Very high97.1Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-99.8124.9160.2-177.7-169.8-52.700108.5I135 M136 L152 A155 K156 F159 Q163 K164M52-I135 PolarHBondContact O-N 3.4Å; M52-M136 HydrophobicContact CB-CB 4.27Å; M52-M136 PolarHBondContact N-O 2.72Å; M52-M136 PolarHBondContact O-N 2.98Å; M52-L152 HydrophobicContact CB-CD2 4.2Å; M52-L152 HydrophobicContact CE-CB 3.99Å; M52-L152 HydrophobicContact CE-CD2 3.8Å; M52-L152 HydrophobicContact CE-CG 4.5Å; M52-L152 WeakPolarHBondContact CE-O 3.21Å; M52-A155 HydrophobicContact CE-CB 3.58Å; M52-K156 HydrophobicContact CE-CB 4.17Å; M52-K156 HydrophobicContact SD-CB 3.99Å; M52-F159 HydrophobicContact CE-CE2 4.44Å; M52-F159 HydrophobicContact SD-CD2 3.63Å; M52-F159 HydrophobicContact SD-CE2 3.56Å; M52-F159 VanDerWaalsContact SD-CE2 3.56Å; M52-Q163 HydrophobicContact CG-CB 4.01Å; M52-Q163 HydrophobicContact CG-CG 4.26Å; M52-Q163 HydrophobicContact SD-CB 4.45Å; M52-Q163 HydrophobicContact SD-CG 4.32Å; M52-K164 WeakPolarHBondContact CA-O 3.38Å
53I98.2Very high97.2Very high35 Ų3525.6 Ų25.618%0.17912%0.122CC..EExtended strand (participates in β ladder)trans-120.1137.1-170.6-62.2162.4000109H51 G132 Q133 V134 Q163 K164 A166H51-I53 HydrophobicContact CB-CD1 4.33Å; H51-I53 HydrophobicContact CB-CG1 4.12Å; I53-G132 VanDerWaalsContact CG2-C 3.45Å; I53-G132 WeakPolarHBondContact CG2-O 3.33Å; I53-Q133 WeakPolarHBondContact CA-O 3.27Å; I53-V134 HydrophobicContact CG1-CG2 4.11Å; I53-Q163 CarbonylContact O-C 3.47Å; I53-Q163 WeakPolarHBondContact O-CA 3.36Å; I53-Q163 WeakPolarHBondContact O-CB 3.39Å; I53-K164 PolarHBondContact N-O 3.26Å; I53-K164 PolarHBondContact O-N 3.22Å; I53-A166 HydrophobicContact CD1-CB 3.85Å
54S97.9Very high97.3Very high0 Ų026.2 Ų26.20%013%0.127CC..EExtended strand (participates in β ladder)trans-73.6134.3171.8-163.80000110.7E56 G132 Q133S54-E56 PolarHBondContact OG-N 3.33Å; S54-E56 PolarHBondContact OG-O 2.97Å; S54-G132 PolarHBondContact O-N 2.9Å; S54-Q133 PolarHBondContact N-O 3.45Å
55D96.9Very high97.5Very high50 Ų5021.2 Ų21.227%0.26710%0.104SC..  trans-101.96.1170.6-151.534.7000112.1R162 K164D55-R162 HydrophobicContact CB-CB 4.09Å; D55-R162 VanDerWaalsContact CB-O 3.3Å; D55-R162 WeakPolarHBondContact CB-O 3.16Å; D55-R162 PolarHBondContact N-O 3.08Å; D55-K164 HydrophobicContact CB-CD 4.49Å; D55-K164 VanDerWaalsContact CG-CE 3.4Å; D55-K164 WeakPolarHBondContact OD1-CE 3.3Å; D55-K164 IonicContact OD1-NZ 2.7Å; D55-K164 PolarHBondContact OD1-NZ 2.74Å; D55-K164 WeakPolarHBondContact OD2-CE 3.43Å; D55-K164 IonicContact OD2-NZ 3Å; D55-K164 PolarHBondContact OD2-NZ 3.4Å
56E96.7Very high97.6Very high43 Ų4319.5 Ų19.520%0.20110%0.095CC..SBendtrans-133.4152.7-177-66.4-173.7-156.700111.9R10 S54 E58 G161 R162R10-E56 IonicContact CZ-OE2 3.36Å; R10-E56 IonicContact NE-OE2 3.2Å; R10-E56 IonicContact NH2-OE1 3.84Å; R10-E56 PolarHBondContact NH2-OE1 3.42Å; R10-E56 IonicContact NH2-OE2 2.86Å; R10-E56 PolarHBondContact NH2-OE2 2.96Å; S54-E56 PolarHBondContact OG-N 3.33Å; S54-E56 PolarHBondContact OG-O 2.97Å; E56-E58 HydrophobicContact CB-CG 4.23Å; E56-G161 VanDerWaalsContact CD-CA 3.47Å; E56-G161 WeakPolarHBondContact OE1-CA 3.44Å; E56-R162 PolarHBondContact OE1-N 2.85Å
57Y97.2Very high97.7Very high101 Ų10121.3 Ų21.340%0.39611%0.11SC..  trans-89.498.4170-177.4-122000110.5C12 R128 V129 D130C12-Y57 HydrophobicContact CB-CD1 3.82Å; C12-Y57 HydrophobicContact CB-CE1 3.16Å; C12-Y57 HydrophobicContact CB-CE2 4Å; C12-Y57 HydrophobicContact CB-CG 4.49Å; Y57-R128 PolarHBondContact OH-NH2 3.04Å; Y57-V129 WeakPolarHBondContact CA-O 3.39Å; Y57-V129 VanDerWaalsContact CD2-O 3.24Å; Y57-V129 WeakPolarHBondContact CD2-O 3.32Å; Y57-D130 WeakPolarHBondContact CD2-OD1 3.39Å; Y57-D130 WeakPolarHBondContact CE2-OD1 3.42Å
58E97.4Very high97.8Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-150.4179.7-171.462176.2-175.100113.5R10 C12 E56 L60 V129 P160R10-E58 HydrophobicContact CG-CB 4.25Å; R10-E58 IonicContact CZ-OE2 2.72Å; R10-E58 IonicContact NE-OE2 2.84Å; R10-E58 PolarHBondContact NE-OE2 3.23Å; R10-E58 IonicContact NH2-OE2 3.36Å; R10-E58 CarbonylContact O-C 3.56Å; R10-E58 VanDerWaalsContact O-CA 3.31Å; R10-E58 WeakPolarHBondContact O-CA 3.09Å; R10-E58 VanDerWaalsContact O-CB 3.3Å; R10-E58 WeakPolarHBondContact O-CB 3.36Å; C12-E58 PolarHBondContact SG-O 3.45Å; C12-E58 VanDerWaalsContact SG-O 3.4Å; E56-E58 HydrophobicContact CB-CG 4.23Å; E58-L60 HydrophobicContact CG-CD2 4.33Å; E58-V129 HydrophobicContact CG-CG2 3.86Å; E58-V129 PolarHBondContact N-O 2.97Å; E58-V129 WeakPolarHBondContact O-CG2 3.28Å; E58-V129 PolarHBondContact O-N 3.43Å; E58-P160 WeakPolarHBondContact OE2-CG 3.33Å
59Q98Very high97.8Very high13 Ų1321.9 Ų21.96%0.06111%0.111CC..EExtended strand (participates in β ladder)trans-111.3118.3176.8-55.5-172-4.600109.9Y9 R10 C12 V126 A127 R128Y9-Q59 VanDerWaalsContact O-CB 3.3Å; Y9-Q59 WeakPolarHBondContact O-CB 3.29Å; Y9-Q59 PolarHBondContact O-OE1 3.24Å; R10-Q59 PolarHBondContact O-N 3.31Å; C12-Q59 WeakPolarHBondContact SG-CG 3.42Å; Q59-V126 HydrophobicContact CB-CB 4.15Å; Q59-V126 HydrophobicContact CB-CG2 3.92Å; Q59-V126 HydrophobicContact CG-CG2 4.24Å; Q59-A127 CarbonylContact C-O 3.45Å; Q59-A127 VanDerWaalsContact CA-O 3.31Å; Q59-A127 WeakPolarHBondContact CA-O 3.21Å; Q59-R128 HydrophobicContact CG-CG 4.31Å
60L97.9Very high97.8Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-91.1116.8173.4-56.7-174.8000109.6E58 L65 V126 A127 V129 I135 F159 P160E58-L60 HydrophobicContact CG-CD2 4.33Å; L60-L65 HydrophobicContact CB-CD2 4.36Å; L60-L65 HydrophobicContact CB-CG 4.43Å; L60-L65 HydrophobicContact CD1-CD2 4.35Å; L60-V126 CarbonylContact O-C 3.57Å; L60-V126 WeakPolarHBondContact O-CA 3.45Å; L60-A127 HydrophobicContact CB-CB 4.5Å; L60-A127 PolarHBondContact N-O 3.21Å; L60-A127 PolarHBondContact O-N 2.88Å; L60-V129 HydrophobicContact CD1-CG1 3.71Å; L60-V129 HydrophobicContact CD1-CG2 4.13Å; L60-V129 HydrophobicContact CD2-CG2 4.39Å; L60-V129 HydrophobicContact CG-CG1 3.97Å; L60-V129 HydrophobicContact CG-CG2 3.86Å; L60-I135 HydrophobicContact CD1-CB 4.47Å; L60-I135 HydrophobicContact CD1-CD1 3.68Å; L60-I135 HydrophobicContact CD1-CG1 3.85Å; L60-I135 HydrophobicContact CD1-CG2 3.76Å; L60-F159 HydrophobicContact CB-CD1 4.42Å; L60-F159 HydrophobicContact CB-CE1 4.45Å; L60-F159 HydrophobicContact CD1-CD1 3.92Å; L60-F159 HydrophobicContact CD1-CE1 3.95Å; L60-F159 HydrophobicContact CD1-CG 4.44Å; L60-F159 HydrophobicContact CD2-CB 4.27Å; L60-F159 HydrophobicContact CD2-CD1 3.82Å; L60-F159 HydrophobicContact CD2-CG 4.28Å; L60-F159 HydrophobicContact CG-CD1 4.28Å; L60-P160 HydrophobicContact CD2-CG 3.88Å
61S97.6Very high97.8Very high15 Ų1526.4 Ų26.411%0.10514%0.136CC..EExtended strand (participates in β ladder)trans-67.6149.4-18073.40000113.2R3 E63 A64 L65R3-S61 PolarHBondContact NH2-OG 3.34Å; S61-E63 PolarHBondContact O-N 3.34Å; S61-E63 VanDerWaalsContact O-N 3.12Å; S61-A64 WeakPolarHBondContact O-CB 3.41Å; S61-A64 PolarHBondContact O-N 3.35Å; S61-A64 WeakPolarHBondContact OG-CB 3.33Å; S61-A64 PolarHBondContact OG-N 3.31Å; S61-L65 PolarHBondContact O-N 3.44Å
62S97.6Very high97.8Very high3 Ų324.7 Ų24.72%0.02113%0.128CC..Hα-helixtrans-55.1-31.717875.20000113.2K30 E66 T125K30-S62 PolarHBondContact N-OG 2.69Å; K30-S62 VanDerWaalsContact N-OG 3.09Å; S62-E66 PolarHBondContact O-N 2.85Å; S62-T125 WeakPolarHBondContact CB-O 3.44Å; S62-T125 PolarHBondContact N-O 2.73Å
63E97.2Very high97.8Very high55 Ų5526.2 Ų26.226%0.25714%0.136SC..Hα-helixtrans-73.9-37.5178-61.587.7147.400111.9R3 K30 S61 E66 A67R3-E63 IonicContact CZ-OE1 3.21Å; R3-E63 IonicContact CZ-OE2 3.86Å; R3-E63 VanDerWaalsContact CZ-OE2 3.32Å; R3-E63 IonicContact NE-OE1 2.68Å; R3-E63 PolarHBondContact NE-OE1 2.9Å; R3-E63 IonicContact NE-OE2 3.32Å; R3-E63 VanDerWaalsContact NH1-CB 3.31Å; R3-E63 IonicContact NH1-OE1 2.96Å; R3-E63 IonicContact NH1-OE2 3.71Å; R3-E63 IonicContact NH2-OE1 2.87Å; R3-E63 PolarHBondContact NH2-OE1 3.34Å; R3-E63 IonicContact NH2-OE2 2.69Å; R3-E63 PolarHBondContact NH2-OE2 2.96Å; K30-E63 HydrophobicContact CB-CG 3.87Å; K30-E63 HydrophobicContact CG-CG 4.15Å; S61-E63 PolarHBondContact O-N 3.34Å; S61-E63 VanDerWaalsContact O-N 3.12Å; E63-E66 PolarHBondContact O-N 2.81Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.42Å
64A97.7Very high97.7Very high13 Ų1331.6 Ų31.611%0.10716%0.158CC..Hα-helixtrans-67.1-41.3173.500000110.6S61 E66 A67 A68 F159S61-A64 WeakPolarHBondContact O-CB 3.41Å; S61-A64 PolarHBondContact O-N 3.35Å; S61-A64 WeakPolarHBondContact OG-CB 3.33Å; S61-A64 PolarHBondContact OG-N 3.31Å; A64-E66 PolarHBondContact O-N 3.29Å; A64-A67 PolarHBondContact O-N 3Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 2.81Å; A64-F159 HydrophobicContact CB-CD1 4.12Å; A64-F159 HydrophobicContact CB-CE1 4.27Å
65L98.1Very high97.8Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-59.5-45.5173.8-68.4171.6000111.7I31 L60 S61 A68 R69 I89 V91 P93 A127 I135 F159I31-L65 HydrophobicContact CB-CB 4.39Å; I31-L65 HydrophobicContact CD1-CB 4.04Å; I31-L65 HydrophobicContact CG2-CB 4.21Å; I31-L65 HydrophobicContact CG2-CD1 4.38Å; L60-L65 HydrophobicContact CB-CD2 4.36Å; L60-L65 HydrophobicContact CB-CG 4.43Å; L60-L65 HydrophobicContact CD1-CD2 4.35Å; S61-L65 PolarHBondContact O-N 3.44Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.45Å; L65-R69 PolarHBondContact O-N 3.19Å; L65-I89 HydrophobicContact CD2-CG2 4.21Å; L65-V91 HydrophobicContact CD1-CG2 4.23Å; L65-V91 HydrophobicContact CD2-CG2 3.43Å; L65-V91 VanDerWaalsContact CD2-CG2 3.43Å; L65-P93 HydrophobicContact CD1-CB 4.34Å; L65-P93 HydrophobicContact CD1-CG 4.41Å; L65-A127 HydrophobicContact CD1-CB 3.97Å; L65-I135 HydrophobicContact CD2-CG2 4.2Å; L65-F159 HydrophobicContact CD2-CE1 3.68Å; L65-F159 HydrophobicContact CD2-CZ 3.82Å; L65-F159 HydrophobicContact CG-CE1 4.27Å
66E98.1Very high97.8Very high29 Ų2930.7 Ų30.714%0.13615%0.152CC..Hα-helixtrans-66.4-41.1177.4-177.358.1-163.700112.3K30 I31 S62 E63 A64 R69 I70K30-E66 HydrophobicContact CG-CB 4.18Å; K30-E66 HydrophobicContact CG-CG 4.22Å; I31-E66 HydrophobicContact CB-CB 4.15Å; S62-E66 PolarHBondContact O-N 2.85Å; E63-E66 PolarHBondContact O-N 2.81Å; A64-E66 PolarHBondContact O-N 3.29Å; E66-R69 VanDerWaalsContact CD-NE 3.35Å; E66-R69 WeakPolarHBondContact O-CB 3.42Å; E66-R69 PolarHBondContact O-N 3.21Å; E66-R69 IonicContact OE1-CZ 3.6Å; E66-R69 IonicContact OE1-NE 2.72Å; E66-R69 PolarHBondContact OE1-NE 2.8Å; E66-R69 IonicContact OE1-NH2 3.84Å; E66-R69 PolarHBondContact OE1-NH2 3.38Å; E66-R69 IonicContact OE2-CZ 3.62Å; E66-R69 IonicContact OE2-NE 3.46Å; E66-R69 PolarHBondContact OE2-NE 3.02Å; E66-R69 IonicContact OE2-NH2 3.75Å; E66-I70 HydrophobicContact CG-CD1 4Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 2.92Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.3Å
67A98.2Very high97.8Very high38 Ų3832 Ų3231%0.31416%0.16SC..Hα-helixtrans-63.3-44.3176.400000112.1E63 A64 I70 C71 K158E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.42Å; A64-A67 PolarHBondContact O-N 3Å; A67-I70 PolarHBondContact O-N 2.7Å; A67-C71 VanDerWaalsContact O-CB 3.22Å; A67-C71 WeakPolarHBondContact O-CB 3.06Å; A67-C71 PolarHBondContact O-N 2.85Å; A67-K158 HydrophobicContact CB-CB 4.29Å; A67-K158 HydrophobicContact CB-CG 4.28Å
68A98.2Very high97.8Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-62-44.8175.600000111.3A64 L65 C71 A72 M136 A155 K158 F159A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 2.81Å; L65-A68 PolarHBondContact O-N 3.22Å; A68-C71 PolarHBondContact O-N 2.74Å; A68-A72 PolarHBondContact O-N 3.49Å; A68-M136 HydrophobicContact CB-CE 4.33Å; A68-A155 HydrophobicContact CB-CB 4.16Å; A68-K158 HydrophobicContact CB-CB 4.09Å; A68-F159 HydrophobicContact CB-CD2 4.37Å; A68-F159 HydrophobicContact CB-CE1 3.99Å; A68-F159 HydrophobicContact CB-CE2 3.52Å; A68-F159 HydrophobicContact CB-CZ 3.29Å
69R98.4Very high97.8Very high29 Ų2939.7 Ų39.711%0.10920%0.196CC..Hα-helixtrans-56.7-52.1176-173.4-158.771.674.7-2.8111.7I33 L36 L65 E66 C71 N73 I89I33-R69 WeakPolarHBondContact O-CD 3.42Å; L36-R69 HydrophobicContact CD1-CG 3.75Å; L36-R69 HydrophobicContact CD2-CG 3.67Å; L36-R69 HydrophobicContact CG-CG 4.09Å; L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.45Å; L65-R69 PolarHBondContact O-N 3.19Å; E66-R69 VanDerWaalsContact CD-NE 3.35Å; E66-R69 WeakPolarHBondContact O-CB 3.42Å; E66-R69 PolarHBondContact O-N 3.21Å; E66-R69 IonicContact OE1-CZ 3.6Å; E66-R69 IonicContact OE1-NE 2.72Å; E66-R69 PolarHBondContact OE1-NE 2.8Å; E66-R69 IonicContact OE1-NH2 3.84Å; E66-R69 PolarHBondContact OE1-NH2 3.38Å; E66-R69 IonicContact OE2-CZ 3.62Å; E66-R69 IonicContact OE2-NE 3.46Å; E66-R69 PolarHBondContact OE2-NE 3.02Å; E66-R69 IonicContact OE2-NH2 3.75Å; R69-C71 VanDerWaalsContact C-N 3.31Å; R69-C71 PolarHBondContact O-N 2.99Å; R69-N73 VanDerWaalsContact O-CB 3.23Å; R69-N73 WeakPolarHBondContact O-CB 3.4Å; R69-N73 PolarHBondContact O-N 3.12Å; R69-I89 HydrophobicContact CB-CD1 4.25Å; R69-I89 HydrophobicContact CB-CG1 4.35Å; R69-I89 HydrophobicContact CG-CG1 4.32Å
70I98.2Very high97.7Very high62 Ų6239.7 Ų39.732%0.31820%0.197SC..Hα-helixtrans-61.8-42.5179.2-67.9167.5000110.6E66 A67 N73 K74E66-I70 HydrophobicContact CG-CD1 4Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 2.92Å; E66-I70 WeakPolarHBondContact OE1-CD1 3.3Å; A67-I70 PolarHBondContact O-N 2.7Å; I70-N73 PolarHBondContact O-N 2.83Å; I70-K74 HydrophobicContact CG2-CD 4.06Å; I70-K74 HydrophobicContact CG2-CG 4.29Å; I70-K74 WeakPolarHBondContact O-CB 3.49Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 3.46Å
71C98.1Very high97.5Very high32 Ų3241 Ų4122%0.21621%0.211CC..Hα-helixtrans-62.6-49.8-178.6-171.90000112.1A67 A68 R69 Y75 K158A67-C71 VanDerWaalsContact O-CB 3.22Å; A67-C71 WeakPolarHBondContact O-CB 3.06Å; A67-C71 PolarHBondContact O-N 2.85Å; A68-C71 PolarHBondContact O-N 2.74Å; R69-C71 VanDerWaalsContact C-N 3.31Å; R69-C71 PolarHBondContact O-N 2.99Å; C71-Y75 PolarHBondContact O-N 2.53Å; C71-K158 HydrophobicContact CB-CG 4.47Å
72A97.9Very high97.4Very high1 Ų146.7 Ų46.71%0.00823%0.234CC..Hα-helixtrans-60.8-47.417500000111.4A68 K74 Y75 L76 M136 A155A68-A72 PolarHBondContact O-N 3.49Å; A72-K74 PolarHBondContact O-N 3.04Å; A72-Y75 PolarHBondContact O-N 3.49Å; A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 2.81Å; A72-M136 HydrophobicContact CB-CE 3.99Å; A72-M136 HydrophobicContact CB-SD 3.82Å; A72-A155 HydrophobicContact CB-CB 4.06Å
73N97.7Very high97.3Very high31 Ų3151.2 Ų51.217%0.16626%0.258CS..Hα-helixtrans-60.6-47.1-177.9-168.648.3000112.2L36 R69 I70 Y75 L76 L77L36-N73 HydrophobicContact CD1-CB 4.03Å; L36-N73 HydrophobicContact CD2-CB 4.4Å; R69-N73 VanDerWaalsContact O-CB 3.23Å; R69-N73 WeakPolarHBondContact O-CB 3.4Å; R69-N73 PolarHBondContact O-N 3.12Å; I70-N73 PolarHBondContact O-N 2.83Å; N73-Y75 VanDerWaalsContact C-N 3.3Å; N73-Y75 PolarHBondContact O-N 3.49Å; N73-L76 PolarHBondContact O-N 3.47Å; N73-L77 WeakPolarHBondContact ND2-CD1 3.07Å; N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 WeakPolarHBondContact O-CG 3.28Å; N73-L77 PolarHBondContact O-N 3.2Å
74K97.8Very high97.2Very high148 Ų14849.3 Ų49.364%0.64325%0.251SS*.Hα-helixtrans-59.6-41.3179.6-79.9-174.2174.8-1720112.1I70 A72 K78I70-K74 HydrophobicContact CG2-CD 4.06Å; I70-K74 HydrophobicContact CG2-CG 4.29Å; I70-K74 WeakPolarHBondContact O-CB 3.49Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 3.46Å; A72-K74 PolarHBondContact O-N 3.04Å; K74-K78 PolarHBondContact O-N 3.28Å
75Y98.4Very high97.2Very high31 Ų3148.7 Ų48.712%0.12225%0.246CC..Hα-helixtrans-67.2-48.5178.7-174.1-91.1000111.7C71 A72 N73 L77 K78 H79 Q147 E150 A151C71-Y75 PolarHBondContact O-N 2.53Å; A72-Y75 PolarHBondContact O-N 3.49Å; N73-Y75 VanDerWaalsContact C-N 3.3Å; N73-Y75 PolarHBondContact O-N 3.49Å; Y75-L77 PolarHBondContact O-N 2.95Å; Y75-K78 PolarHBondContact O-N 2.85Å; Y75-H79 AromaticContact CD2-CD2 3.55Å; Y75-H79 AromaticContact CD2-NE2 3.84Å; Y75-H79 HydrophobicContact CE1-CB 4.41Å; Y75-H79 AromaticContact CE1-CD2 3.79Å; Y75-H79 AromaticContact CE2-CD2 3.26Å; Y75-H79 WeakPolarHBondContact CE2-CD2 3.39Å; Y75-H79 AromaticContact CE2-NE2 3.35Å; Y75-H79 VanDerWaalsContact CE2-NE2 3.35Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.36Å; Y75-H79 AromaticContact CG-CD2 3.95Å; Y75-H79 AromaticContact CZ-CD2 3.39Å; Y75-H79 AromaticContact CZ-NE2 3.81Å; Y75-H79 PolarHBondContact O-CD2 2.83Å; Y75-H79 PolarHBondContact O-N 3.35Å; Y75-Q147 HydrophobicContact CE1-CB 4.09Å; Y75-Q147 WeakPolarHBondContact CE1-O 3.37Å; Y75-E150 HydrophobicContact CE1-CB 3.91Å; Y75-E150 HydrophobicContact CE1-CG 3.83Å; Y75-E150 HydrophobicContact CE2-CG 3.81Å; Y75-E150 VanDerWaalsContact OH-CG 3.28Å; Y75-E150 WeakPolarHBondContact OH-CG 3.31Å; Y75-A151 HydrophobicContact CD1-CB 3.72Å; Y75-A151 HydrophobicContact CG-CB 4.39Å
76L97.6Very high97.2Very high1 Ų148.7 Ų48.71%0.00525%0.246CC..Hα-helixtrans-64.8-39.3-179.4-69.4171.4000112.5A72 N73 K78 H79 C80 G81 F85 V138 V148 A151A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 2.81Å; N73-L76 PolarHBondContact O-N 3.47Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-H79 PolarHBondContact O-N 2.86Å; L76-C80 WeakPolarHBondContact O-CA 3.3Å; L76-C80 WeakPolarHBondContact O-CB 3.39Å; L76-C80 PolarHBondContact O-N 3.29Å; L76-G81 PolarHBondContact O-N 2.95Å; L76-F85 HydrophobicContact CB-CD1 3.82Å; L76-F85 HydrophobicContact CB-CD2 4.25Å; L76-F85 HydrophobicContact CB-CE1 3.48Å; L76-F85 VanDerWaalsContact CB-CE1 3.48Å; L76-F85 HydrophobicContact CB-CE2 3.94Å; L76-F85 HydrophobicContact CB-CG 4.19Å; L76-F85 HydrophobicContact CB-CZ 3.55Å; L76-F85 HydrophobicContact CD1-CD2 3.63Å; L76-F85 HydrophobicContact CD1-CE2 3.7Å; L76-F85 HydrophobicContact CD1-CG 4.08Å; L76-F85 HydrophobicContact CD1-CZ 4.22Å; L76-F85 HydrophobicContact CG-CE2 4.47Å; L76-V138 HydrophobicContact CD1-CG1 4.04Å; L76-V138 HydrophobicContact CD1-CG2 4.26Å; L76-V148 HydrophobicContact CD2-CG2 3.92Å; L76-A151 HydrophobicContact CD1-CB 4.14Å; L76-A151 HydrophobicContact CD2-CB 3.82Å; L76-A151 HydrophobicContact CG-CB 3.68Å
77L97.3Very high97.2Very high71 Ų7147.4 Ų47.437%0.37224%0.24SC..Hα-helixtrans-60.5-40.7174.9-73.5172.7000112.1N73 Y75 G81 K82 F85N73-L77 WeakPolarHBondContact ND2-CD1 3.07Å; N73-L77 WeakPolarHBondContact O-CB 3.37Å; N73-L77 WeakPolarHBondContact O-CG 3.28Å; N73-L77 PolarHBondContact O-N 3.2Å; Y75-L77 PolarHBondContact O-N 2.95Å; L77-G81 PolarHBondContact O-N 2.9Å; L77-K82 HydrophobicContact CD2-CB 3.6Å; L77-K82 HydrophobicContact CD2-CG 3.91Å; L77-F85 HydrophobicContact CD2-CE1 4.23Å; L77-F85 HydrophobicContact CD2-CZ 4.32Å; L77-F85 HydrophobicContact CG-CE1 4.49Å; L77-F85 HydrophobicContact CG-CZ 4.35Å
78K97.3Very high97.2Very high173 Ų17348.8 Ų48.875%0.75224%0.237SC*.Hα-helixtrans-70.2-40.5-179.9-178.3174.9179.3177.10112.8K74 Y75 L76K74-K78 PolarHBondContact O-N 3.28Å; Y75-K78 PolarHBondContact O-N 2.85Å; L76-K78 VanDerWaalsContact C-N 3.3Å; L76-K78 PolarHBondContact O-N 3.28Å
79H97Very high97.2Very high88 Ų8848.9 Ų48.941%0.40724%0.237SC..Hα-helixtrans-103.7-23.8-168.9-68.5-75.2000114.9Y75 L76 Q147Y75-H79 AromaticContact CD2-CD2 3.55Å; Y75-H79 AromaticContact CD2-NE2 3.84Å; Y75-H79 HydrophobicContact CE1-CB 4.41Å; Y75-H79 AromaticContact CE1-CD2 3.79Å; Y75-H79 AromaticContact CE2-CD2 3.26Å; Y75-H79 WeakPolarHBondContact CE2-CD2 3.39Å; Y75-H79 AromaticContact CE2-NE2 3.35Å; Y75-H79 VanDerWaalsContact CE2-NE2 3.35Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.36Å; Y75-H79 AromaticContact CG-CD2 3.95Å; Y75-H79 AromaticContact CZ-CD2 3.39Å; Y75-H79 AromaticContact CZ-NE2 3.81Å; Y75-H79 PolarHBondContact O-CD2 2.83Å; Y75-H79 PolarHBondContact O-N 3.35Å; L76-H79 PolarHBondContact O-N 2.86Å; H79-Q147 HydrophobicContact CB-CB 4.47Å; H79-Q147 HydrophobicContact CB-CG 3.98Å
80C95.2Very high97.1Very high13 Ų1353 Ų539%0.08825%0.253CS..THydrogen-bonded Turntrans-114.5-22.7-178.9-53.80000112.9L76 S84 H144 Q147L76-C80 WeakPolarHBondContact O-CA 3.3Å; L76-C80 WeakPolarHBondContact O-CB 3.39Å; L76-C80 PolarHBondContact O-N 3.29Å; C80-S84 WeakPolarHBondContact O-CB 3.36Å; C80-S84 PolarHBondContact O-OG 2.9Å; C80-H144 HydrophobicContact CB-CB 4.49Å; C80-Q147 VanDerWaalsContact SG-CB 3.51Å
81G94.4Very high97.1Very high28 Ų2850.3 Ų50.329%0.28924%0.239SC..  trans82.9159.9-168.300000112.8L76 L77 D83 F85L76-G81 PolarHBondContact O-N 2.95Å; L77-G81 PolarHBondContact O-N 2.9Å; G81-D83 VanDerWaalsContact C-N 3.31Å; G81-D83 PolarHBondContact O-N 2.88Å; G81-F85 VanDerWaalsContact O-CD1 3.28Å; G81-F85 WeakPolarHBondContact O-CD1 3.36Å; G81-F85 WeakPolarHBondContact O-CE1 3.35Å
82K94.3Very high97.1Very high135 Ų13552.5 Ų52.559%0.58725%0.246SC*.G310 helixtrans-65-31.8-174.3-173.7-177.3174.8-172.20113.9K38 L77K38-K82 PolarHBondContact N-O 3.11Å; L77-K82 HydrophobicContact CD2-CB 3.6Å; L77-K82 HydrophobicContact CD2-CG 3.91Å
83D95.7Very high97.2Very high97 Ų9752.9 Ų52.952%0.51925%0.249SC..G310 helixtrans-94.73.4-171-60.8-47.4000114.1K38 F46 G81K38-D83 HydrophobicContact CD-CB 4.28Å; F46-D83 WeakPolarHBondContact CZ-O 3.22Å; G81-D83 VanDerWaalsContact C-N 3.31Å; G81-D83 PolarHBondContact O-N 2.88Å
84S96Very high97.2Very high16 Ų1658.5 Ų58.511%0.11227%0.272CS..G310 helixtrans-101.7-3.9-174.8-55.50000114F46 C80 A140F46-S84 WeakPolarHBondContact CE1-O 3.43Å; C80-S84 WeakPolarHBondContact O-CB 3.36Å; C80-S84 PolarHBondContact O-OG 2.9Å; S84-A140 WeakPolarHBondContact O-CA 3.32Å; S84-A140 WeakPolarHBondContact O-CB 3.3Å
85F97.6Very high97.2Very high0 Ų052.2 Ų52.20%025%0.245CC..EExtended strand (participates in β ladder)trans-146.8159.9-179.174.5-83.5000113.1L36 G37 K38 L76 L77 G81 V138 R139 A140L36-F85 HydrophobicContact CB-CE2 4.13Å; G37-F85 CarbonylContact C-O 3.44Å; G37-F85 WeakPolarHBondContact CA-O 3.45Å; K38-F85 PolarHBondContact N-O 3.28Å; L76-F85 HydrophobicContact CB-CD1 3.82Å; L76-F85 HydrophobicContact CB-CD2 4.25Å; L76-F85 HydrophobicContact CB-CE1 3.48Å; L76-F85 VanDerWaalsContact CB-CE1 3.48Å; L76-F85 HydrophobicContact CB-CE2 3.94Å; L76-F85 HydrophobicContact CB-CG 4.19Å; L76-F85 HydrophobicContact CB-CZ 3.55Å; L76-F85 HydrophobicContact CD1-CD2 3.63Å; L76-F85 HydrophobicContact CD1-CE2 3.7Å; L76-F85 HydrophobicContact CD1-CG 4.08Å; L76-F85 HydrophobicContact CD1-CZ 4.22Å; L76-F85 HydrophobicContact CG-CE2 4.47Å; L77-F85 HydrophobicContact CD2-CE1 4.23Å; L77-F85 HydrophobicContact CD2-CZ 4.32Å; L77-F85 HydrophobicContact CG-CE1 4.49Å; L77-F85 HydrophobicContact CG-CZ 4.35Å; G81-F85 VanDerWaalsContact O-CD1 3.28Å; G81-F85 WeakPolarHBondContact O-CD1 3.36Å; G81-F85 WeakPolarHBondContact O-CE1 3.35Å; F85-V138 HydrophobicContact CB-CG1 4.22Å; F85-V138 HydrophobicContact CD2-CG1 4.4Å; F85-R139 CarbonylContact C-O 3.56Å; F85-R139 WeakPolarHBondContact CA-O 3.31Å; F85-A140 HydrophobicContact CB-CB 4.05Å
86H97.9Very high97.2Very high0 Ų050.9 Ų50.90%024%0.24CC..EExtended strand (participates in β ladder)trans-131.8111.9166.1174-166.2000108.2D35 L36 F46 V138 R139 F173D35-H86 IonicContact OD1-CE1 3.01Å; D35-H86 IonicContact OD1-NE2 3.28Å; D35-H86 PolarHBondContact OD1-NE2 3.38Å; L36-H86 WeakPolarHBondContact O-CA 3.47Å; L36-H86 PolarHBondContact O-CD2 3.49Å; F46-H86 HydrophobicContact CD2-CB 4.11Å; F46-H86 HydrophobicContact CE2-CB 4.11Å; H86-V138 WeakPolarHBondContact O-CA 2.98Å; H86-R139 HydrophobicContact CB-CG 3.77Å; H86-R139 PolarHBondContact N-O 2.72Å; H86-R139 PolarHBondContact ND1-NE 3.32Å; H86-R139 VanDerWaalsContact ND1-NE 3.18Å; H86-R139 PolarHBondContact ND1-NH2 3.45Å; H86-R139 PolarHBondContact O-N 3.46Å; H86-F173 AromaticContact CE1-CE2 3.62Å; H86-F173 AromaticContact CG-CE2 3.88Å; H86-F173 AromaticContact ND1-CE2 3.57Å; H86-F173 AromaticContact NE2-CE2 3.92Å; H86-F173 VanDerWaalsContact O-CZ 3.3Å; H86-F173 WeakPolarHBondContact O-CZ 3.22Å
87G97.4Very high97.1Very high1 Ų151.3 Ų51.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-99138.3175.900000111.1D35 L36 S137D35-G87 CarbonylContact C-O 3.58Å; D35-G87 WeakPolarHBondContact CA-O 3.16Å; L36-G87 PolarHBondContact N-O 2.86Å; L36-G87 PolarHBondContact O-N 2.89Å; L36-G87 VanDerWaalsContact O-N 3.11Å; G87-S137 CarbonylContact C-O 3.53Å; G87-S137 WeakPolarHBondContact CA-O 3.35Å
88R98Very high97.1Very high67 Ų6751.9 Ų51.925%0.25324%0.239SC..EExtended strand (participates in β ladder)trans-131.8125.2176.7-180173.3-68-177-2.8110.8F34 D35 M136 S137 F173F34-R88 CarbonylContact O-C 3.52Å; F34-R88 VanDerWaalsContact O-CA 3.3Å; F34-R88 WeakPolarHBondContact O-CA 3.24Å; D35-R88 IonicContact OD1-CZ 3.49Å; D35-R88 IonicContact OD1-NE 3.47Å; D35-R88 PolarHBondContact OD1-NE 3.39Å; D35-R88 IonicContact OD1-NH2 3.6Å; D35-R88 PolarHBondContact OD1-NH2 3.02Å; R88-M136 WeakPolarHBondContact O-CA 3.28Å; R88-S137 PolarHBondContact N-O 2.84Å; R88-S137 PolarHBondContact O-N 3.36Å; R88-F173 HydrophobicContact CB-CE2 3.79Å; R88-F173 HydrophobicContact CB-CZ 3.83Å
89I98.3Very high97Very high2 Ų244.4 Ų44.41%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-75.2120.1162.2-59-67.2000107.4I31 F34 L65 R69 V91 M136I31-I89 HydrophobicContact CD1-CB 4.16Å; I31-I89 HydrophobicContact CD1-CG1 3.83Å; I31-I89 HydrophobicContact CD1-CG2 4.03Å; F34-I89 HydrophobicContact CB-CB 4.49Å; F34-I89 HydrophobicContact CD1-CB 3.89Å; F34-I89 HydrophobicContact CD1-CG2 3.91Å; F34-I89 HydrophobicContact CE1-CG2 4.29Å; F34-I89 PolarHBondContact O-N 3.3Å; L65-I89 HydrophobicContact CD2-CG2 4.21Å; R69-I89 HydrophobicContact CB-CD1 4.25Å; R69-I89 HydrophobicContact CB-CG1 4.35Å; R69-I89 HydrophobicContact CG-CG1 4.32Å; I89-V91 HydrophobicContact CG2-CG2 4.17Å; I89-V91 WeakPolarHBondContact CG2-O 3.4Å; I89-M136 HydrophobicContact CD1-CB 4.15Å; I89-M136 HydrophobicContact CD1-CE 3.19Å; I89-M136 HydrophobicContact CD1-CG 4.01Å; I89-M136 HydrophobicContact CD1-SD 4.4Å; I89-M136 HydrophobicContact CG1-CE 4.47Å
90R98Very high96.8Very high117 Ų11742.3 Ų42.344%0.44220%0.199SC..  trans-87.4-31.4-176.2-60.7-66.7-70.4-166-0.7111.9H92 V134 I135 S137R90-H92 PolarHBondContact O-ND1 2.94Å; R90-V134 WeakPolarHBondContact CB-O 3.21Å; R90-V134 HydrophobicContact CG-CG1 3.97Å; R90-I135 PolarHBondContact N-O 2.73Å; R90-S137 WeakPolarHBondContact CG-OG 3.46Å
91V98Very high96.6Very high4 Ų446.5 Ų46.52%0.02422%0.216CC..  trans-88.7140.1-177.5-63.40000111.6L65 I89 A127 V129 I135L65-V91 HydrophobicContact CD1-CG2 4.23Å; L65-V91 HydrophobicContact CD2-CG2 3.43Å; L65-V91 VanDerWaalsContact CD2-CG2 3.43Å; I89-V91 HydrophobicContact CG2-CG2 4.17Å; I89-V91 WeakPolarHBondContact CG2-O 3.4Å; V91-A127 HydrophobicContact CB-CB 4.02Å; V91-A127 HydrophobicContact CG2-CB 4.15Å; V91-V129 HydrophobicContact CB-CG1 4.32Å; V91-V129 HydrophobicContact CG1-CG1 3.75Å; V91-I135 HydrophobicContact CG2-CG2 3.83Å
92H98.3Very high96.3Very high78 Ų7849 Ų4936%0.36122%0.221SC..  trans-118.3135.2-178.9-7074.7000110.7F34 R90 F94 A127F34-H92 AromaticContact CD1-CD2 3.75Å; F34-H92 AromaticContact CD1-CE1 3.99Å; F34-H92 AromaticContact CD1-NE2 3.52Å; F34-H92 HydrophobicContact CE1-CB 4.48Å; F34-H92 AromaticContact CE1-CD2 3.38Å; F34-H92 WeakPolarHBondContact CE1-CD2 3.39Å; F34-H92 AromaticContact CE1-CG 3.87Å; F34-H92 AromaticContact CE1-NE2 3.69Å; F34-H92 AromaticContact CE2-CD2 3.97Å; F34-H92 AromaticContact CG-NE2 3.74Å; F34-H92 AromaticContact CZ-CD2 3.5Å; R90-H92 PolarHBondContact O-ND1 2.94Å; H92-F94 VanDerWaalsContact C-N 3.32Å; H92-F94 HydrophobicContact CB-CD1 4.33Å; H92-F94 HydrophobicContact CB-CD2 4.03Å; H92-F94 HydrophobicContact CB-CE1 3.86Å; H92-F94 HydrophobicContact CB-CE2 3.54Å; H92-F94 HydrophobicContact CB-CG 4.41Å; H92-F94 HydrophobicContact CB-CZ 3.44Å; H92-F94 VanDerWaalsContact CB-CZ 3.44Å; H92-F94 AromaticContact CG-CZ 3.97Å; H92-F94 PolarHBondContact O-N 3.4Å; H92-A127 WeakPolarHBondContact O-CB 3.39Å
93P98Very high96Very high10 Ų1046.2 Ų46.27%0.06521%0.212CC..  trans-81.176.1-177.133.8-36.3000111.8P29 I31 L65 T125 V126P29-P93 HydrophobicContact CB-CG 3.67Å; P29-P93 HydrophobicContact CG-CG 4.46Å; I31-P93 HydrophobicContact CG2-CG 3.83Å; L65-P93 HydrophobicContact CD1-CB 4.34Å; L65-P93 HydrophobicContact CD1-CG 4.41Å; P93-T125 WeakPolarHBondContact O-CB 3.43Å; P93-V126 CarbonylContact C-O 3.54Å; P93-V126 VanDerWaalsContact CA-C 3.43Å; P93-V126 VanDerWaalsContact CA-O 3.29Å; P93-V126 WeakPolarHBondContact CA-O 3.48Å
94F97.8Very high95.7Very high149 Ų14946.7 Ų46.765%0.65422%0.223SC*.  trans-87-22.9179.2-62.9-44.2000113.9P18 H92 V126P18-F94 WeakPolarHBondContact CA-O 3.43Å; H92-F94 VanDerWaalsContact C-N 3.32Å; H92-F94 HydrophobicContact CB-CD1 4.33Å; H92-F94 HydrophobicContact CB-CD2 4.03Å; H92-F94 HydrophobicContact CB-CE1 3.86Å; H92-F94 HydrophobicContact CB-CE2 3.54Å; H92-F94 HydrophobicContact CB-CG 4.41Å; H92-F94 HydrophobicContact CB-CZ 3.44Å; H92-F94 VanDerWaalsContact CB-CZ 3.44Å; H92-F94 AromaticContact CG-CZ 3.97Å; H92-F94 PolarHBondContact O-N 3.4Å; F94-V126 PolarHBondContact N-O 2.82Å
95H98.1Very high95.3Very high15 Ų1549 Ų497%0.06924%0.238CC..EExtended strand (participates in β ladder)trans-79.7131.8-178.2-172.467.7000110.6K15 Y17 T125 V126 R128K15-H95 PolarHBondContact O-CE1 3.07Å; Y17-H95 PolarHBondContact N-CE1 3Å; Y17-H95 PolarHBondContact N-ND1 3.35Å; H95-T125 CarbonylContact O-C 3.56Å; H95-T125 VanDerWaalsContact O-CA 3.24Å; H95-T125 WeakPolarHBondContact O-CA 3.45Å; H95-V126 HydrophobicContact CB-CG2 3.78Å; H95-V126 WeakPolarHBondContact CB-O 3.08Å; H95-V126 PolarHBondContact N-O 3.33Å; H95-V126 PolarHBondContact O-N 3.2Å; H95-R128 HydrophobicContact CB-CG 4.01Å
96V97.9Very high94.9Very high3 Ų354 Ų542%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-98.8121.8179.8-179.10000109.8Y17 V26 P122 G124 T125Y17-V96 HydrophobicContact CD1-CB 4.05Å; Y17-V96 HydrophobicContact CD1-CG1 4.47Å; Y17-V96 WeakPolarHBondContact O-CB 3.46Å; Y17-V96 PolarHBondContact O-N 3.47Å; V26-V96 HydrophobicContact CB-CG2 4.44Å; V26-V96 HydrophobicContact CG1-CB 4.41Å; V26-V96 HydrophobicContact CG1-CG1 3.94Å; V26-V96 HydrophobicContact CG1-CG2 3.54Å; V26-V96 HydrophobicContact CG2-CG1 4.09Å; V26-V96 HydrophobicContact CG2-CG2 3.98Å; V96-P122 HydrophobicContact CG1-CB 3.71Å; V96-P122 HydrophobicContact CG1-CG 4.33Å; V96-G124 WeakPolarHBondContact CA-O 3.4Å; V96-T125 HydrophobicContact CG2-CG2 4.21Å
97I97Very high94.5Very high11 Ų1156 Ų566%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-85145.1172.154164.1000110.6Y9 Q123 G124 V126Y9-I97 HydrophobicContact CD1-CB 3.9Å; Y9-I97 HydrophobicContact CD1-CD1 4.17Å; Y9-I97 HydrophobicContact CD1-CG2 3.87Å; Y9-I97 HydrophobicContact CD2-CD1 3.59Å; Y9-I97 HydrophobicContact CE1-CB 4.06Å; Y9-I97 HydrophobicContact CE1-CD1 4.25Å; Y9-I97 HydrophobicContact CE2-CD1 3.65Å; Y9-I97 HydrophobicContact CG-CB 4.3Å; Y9-I97 HydrophobicContact CG-CD1 3.85Å; Y9-I97 HydrophobicContact CG-CG2 4.05Å; I97-Q123 PolarHBondContact O-N 2.65Å; I97-G124 WeakPolarHBondContact CG1-O 3.35Å; I97-G124 PolarHBondContact N-O 3.05Å; I97-V126 HydrophobicContact CD1-CG1 4.25Å; I97-V126 HydrophobicContact CG1-CG1 4.28Å; I97-V126 HydrophobicContact CG2-CG1 3.71Å; I97-V126 HydrophobicContact CG2-CG2 3.9Å
98R96.2Very high94.2Very high82 Ų8256.9 Ų56.931%0.30931%0.308SS..EExtended strand (participates in β ladder)trans-115.3146.3-177.4-64.2-172.6-63.5-1279.1111.1Y17 G120 K121Y17-R98 HydrophobicContact CD1-CG 4.33Å; Y17-R98 VanDerWaalsContact CD1-NH1 3.31Å; Y17-R98 HydrophobicContact CE1-CG 4.15Å; Y17-R98 VanDerWaalsContact CE1-NH1 3.29Å; R98-G120 WeakPolarHBondContact CD-O 3.45Å; R98-K121 CarbonylContact C-O 3.58Å; R98-K121 VanDerWaalsContact CA-O 3.3Å; R98-K121 WeakPolarHBondContact CA-O 3.23Å
99I95.1Very high93.7Very high16 Ų1661 Ų618%0.08234%0.335CS..EExtended strand (participates in β ladder)trans-125.7123.9174.1-166.5170.8000110R4 G120 K121 Q123R4-I99 HydrophobicContact CG-CD1 3.97Å; I99-G120 VanDerWaalsContact C-CA 3.46Å; I99-G120 CarbonylContact O-C 3.48Å; I99-G120 WeakPolarHBondContact O-CA 3.44Å; I99-K121 PolarHBondContact N-O 3.35Å; I99-K121 PolarHBondContact O-N 3.04Å; I99-Q123 HydrophobicContact CB-CB 4.13Å; I99-Q123 HydrophobicContact CB-CG 4.43Å; I99-Q123 HydrophobicContact CG2-CB 3.69Å; I99-Q123 HydrophobicContact CG2-CG 3.99Å
100N94.2Very high93.2Very high44 Ų4471.8 Ų71.824%0.23538%0.375CS..  trans-84.4111157.2-174.813.7000106.8R4 G114 A118R4-N100 PolarHBondContact NH2-O 3.45Å; N100-G114 PolarHBondContact ND2-O 3.47Å; N100-A118 WeakPolarHBondContact ND2-CB 3.11Å
101K90.6Very high92.7Very high102 Ų10272.3 Ų72.344%0.44339%0.386SS..  trans-91111.4-167.1-166.5167.4-173.9174.40109.4M1 Q112M1-K101 HydrophobicContact CE-CD 4.41Å; M1-K101 HydrophobicContact CE-CG 3.93Å; M1-K101 HydrophobicContact SD-CG 3.97Å; K101-Q112 PolarHBondContact O-NE2 3.44Å
102M88.6Confident92.3Very high81 Ų8174 Ų7440%0.39939%0.394SS..  trans-82.6133.1174.6-65.6-69.3-158.100110.8M1 Q112 M115M1-M102 WeakPolarHBondContact CE-O 3.45Å; M102-Q112 PolarHBondContact SD-NE2 3.16Å; M102-Q112 PolarHBondContact SD-OE1 3.35Å; M102-M115 HydrophobicContact CE-CG 4.35Å; M102-M115 HydrophobicContact CE-SD 3.8Å
103L87.9Confident92Very high76 Ų7674.8 Ų74.840%0.39840%0.404SS..  trans-70.1132.9171.5-67177.8000108.9A108 L111 Q112L103-A108 HydrophobicContact CB-CB 3.83Å; L103-A108 VanDerWaalsContact O-CB 3.28Å; L103-A108 WeakPolarHBondContact O-CB 3.3Å; L103-L111 HydrophobicContact CD1-CB 4Å; L103-Q112 HydrophobicContact CD1-CB 4.24Å; L103-Q112 HydrophobicContact CG-CB 4.5Å
104S88.1Confident91.6Very high106 Ų10675.5 Ų75.574%0.74141%0.414SS*.  trans-106.313.9-179.762.60000112.6
105C88.2Confident91.4Very high64 Ų6474.9 Ų74.943%0.43241%0.414SS..SBendtrans-85158.2178.251.70000111.6G107 A108C105-G107 PolarHBondContact O-N 3.19Å; C105-A108 VanDerWaalsContact O-CB 3.24Å; C105-A108 WeakPolarHBondContact O-CB 3.49Å; C105-A108 PolarHBondContact O-N 3.47Å; C105-A108 VanDerWaalsContact O-N 3.12Å
106A89.6Confident91.2Very high105 Ų10584 Ų8487%0.86845%0.448SS*.THydrogen-bonded Turntrans-57.7134.6171.300000110A108A106-A108 VanDerWaalsContact C-N 3.34Å
107G90.2Very high91Very high43 Ų4387.5 Ų87.544%0.44348%0.484SS..THydrogen-bonded Turntrans76.114.1-175.600000115.2C105 D109 R110C105-G107 PolarHBondContact O-N 3.19Å; G107-D109 PolarHBondContact O-N 3.03Å; G107-D109 VanDerWaalsContact O-N 3.12Å; G107-R110 PolarHBondContact O-N 2.76Å
108A90.6Very high90.9Very high19 Ų1988.9 Ų88.916%0.15750%0.497CS..Hα-helixtrans-53.1-32.2177.800000114.1L103 C105 A106 R110 L111 Q112L103-A108 HydrophobicContact CB-CB 3.83Å; L103-A108 VanDerWaalsContact O-CB 3.28Å; L103-A108 WeakPolarHBondContact O-CB 3.3Å; C105-A108 VanDerWaalsContact O-CB 3.24Å; C105-A108 WeakPolarHBondContact O-CB 3.49Å; C105-A108 PolarHBondContact O-N 3.47Å; C105-A108 VanDerWaalsContact O-N 3.12Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A108-R110 PolarHBondContact O-N 2.84Å; A108-L111 PolarHBondContact O-N 3.39Å; A108-Q112 WeakPolarHBondContact O-CB 3.35Å; A108-Q112 PolarHBondContact O-N 2.94Å
109D86.9Confident90.8Very high153 Ų15391.3 Ų91.382%0.81851%0.511SS*.Hα-helixtrans-57.4-34.1177.4-174.170.1000112.9G107G107-D109 PolarHBondContact O-N 3.03Å; G107-D109 VanDerWaalsContact O-N 3.12Å
110R89Confident90.8Very high229 Ų22991 Ų9186%0.86451%0.511SS*.Hα-helixtrans-79.8-22.6178.6-58.5-178.7-177174.2-0.2113.1G107 A108G107-R110 PolarHBondContact O-N 2.76Å; A108-R110 PolarHBondContact O-N 2.84Å
111L87.1Confident90.8Very high128 Ų12896.8 Ų96.867%0.6753%0.534SS*.Hα-helixtrans-105.2-16.9-169.1-64.7175.6000113.4L103 A108L103-L111 HydrophobicContact CD1-CB 4Å; A108-L111 PolarHBondContact O-N 3.39Å
112Q90Very high91.1Very high40 Ų4093.4 Ų93.419%0.18752%0.523CS..  trans-120.2144.7-175.1-157.8-164-27.400112K101 M102 L103 A108 G114K101-Q112 PolarHBondContact O-NE2 3.44Å; M102-Q112 PolarHBondContact SD-NE2 3.16Å; M102-Q112 PolarHBondContact SD-OE1 3.35Å; L103-Q112 HydrophobicContact CD1-CB 4.24Å; L103-Q112 HydrophobicContact CG-CB 4.5Å; A108-Q112 WeakPolarHBondContact O-CB 3.35Å; A108-Q112 PolarHBondContact O-N 2.94Å; Q112-G114 PolarHBondContact O-N 2.82Å
113T90.2Very high91.3Very high95 Ų9593.5 Ų93.558%0.58352%0.522SS*.  trans-71.84.6177.259.60000114.8M115 R116T113-M115 PolarHBondContact O-N 2.8Å; T113-R116 WeakPolarHBondContact O-CB 3.24Å; T113-R116 PolarHBondContact O-N 2.75Å; T113-R116 PolarHBondContact OG1-O 2.84Å
114G89.8Confident91.7Very high25 Ų2590.2 Ų90.226%0.25851%0.506SS..THydrogen-bonded Turntrans53.2-111-17400000112.4N100 Q112N100-G114 PolarHBondContact ND2-O 3.47Å; Q112-G114 PolarHBondContact O-N 2.82Å
115M94.4Very high92.1Very high136 Ų13685.6 Ų85.667%0.6747%0.474SS*.THydrogen-bonded Turntrans-100.6-1.6-179.5-65.6-58.5-67.100114.4M102 T113 G117 A118M102-M115 HydrophobicContact CE-CG 4.35Å; M102-M115 HydrophobicContact CE-SD 3.8Å; T113-M115 PolarHBondContact O-N 2.8Å; M115-G117 PolarHBondContact O-N 2.89Å; M115-A118 HydrophobicContact CE-CB 3.79Å; M115-A118 VanDerWaalsContact O-CB 3.3Å; M115-A118 WeakPolarHBondContact O-CB 3.14Å; M115-A118 PolarHBondContact O-N 3.32Å; M115-A118 HydrophobicContact SD-CB 4.39Å
116R93.4Very high92.6Very high207 Ų20782.7 Ų82.778%0.78145%0.454SS*.THydrogen-bonded Turntrans-68.4123.6173.9-175.4-175.6-62.9176.40.8109.2T113T113-R116 WeakPolarHBondContact O-CB 3.24Å; T113-R116 PolarHBondContact O-N 2.75Å; T113-R116 PolarHBondContact OG1-O 2.84Å
117G93.5Very high93Very high75 Ų7577.7 Ų77.777%0.77341%0.413SS*.THydrogen-bonded Turntrans68.135.2-177.400000114.2M115 F119M115-G117 PolarHBondContact O-N 2.89Å; G117-F119 PolarHBondContact O-N 3.18Å
118A94.8Very high93.4Very high40 Ų4078.4 Ų78.433%0.33140%0.402SS..  trans-66.522.6-170.400000117.3N100 M115 G120N100-A118 WeakPolarHBondContact ND2-CB 3.11Å; M115-A118 HydrophobicContact CE-CB 3.79Å; M115-A118 VanDerWaalsContact O-CB 3.3Å; M115-A118 WeakPolarHBondContact O-CB 3.14Å; M115-A118 PolarHBondContact O-N 3.32Å; M115-A118 HydrophobicContact SD-CB 4.39Å; A118-G120 PolarHBondContact O-N 2.71Å; A118-G120 VanDerWaalsContact O-N 3.12Å
119F94.4Very high93.7Very high134 Ų13477.5 Ų77.559%0.58840%0.395SS*.  trans-72.2106.6172.2-170.6-97000110.2G117G117-F119 PolarHBondContact O-N 3.18Å
120G95Very high94.2Very high8 Ų874.4 Ų74.48%0.08238%0.378CS..PPolyproline II helixtrans-64.1153.2-174.200000114.2R98 I99 A118R98-G120 WeakPolarHBondContact CD-O 3.45Å; I99-G120 VanDerWaalsContact C-CA 3.46Å; I99-G120 CarbonylContact O-C 3.48Å; I99-G120 WeakPolarHBondContact O-CA 3.44Å; A118-G120 PolarHBondContact O-N 2.71Å; A118-G120 VanDerWaalsContact O-N 3.12Å
121K95.5Very high94.7Very high166 Ų16669 Ų6972%0.72237%0.365SS*.EExtended strand (participates in β ladder)trans-81148.1172.6-64.9178.7178.6178.30110.4R98 I99 Q123R98-K121 CarbonylContact C-O 3.58Å; R98-K121 VanDerWaalsContact CA-O 3.3Å; R98-K121 WeakPolarHBondContact CA-O 3.23Å; I99-K121 PolarHBondContact N-O 3.35Å; I99-K121 PolarHBondContact O-N 3.04Å; K121-Q123 PolarHBondContact O-N 3.49Å
122P96.1Very high95.1Very high32 Ų3265.2 Ų65.221%0.20836%0.357CS..EExtended strand (participates in β ladder)trans-53.7130.1171.4-28.437.6000112.2V26 V96V26-P122 HydrophobicContact CB-CB 4.44Å; V26-P122 HydrophobicContact CG2-CB 4.05Å; V26-P122 HydrophobicContact CG2-CG 4.15Å; V96-P122 HydrophobicContact CG1-CB 3.71Å; V96-P122 HydrophobicContact CG1-CG 4.33Å
123Q93.2Very high95.5Very high83 Ų8366.7 Ų66.739%0.38836%0.364SS..EExtended strand (participates in β ladder)trans-122.7-27.4-177.8-177.558.548.500113.8P27 I97 I99 K121P27-Q123 VanDerWaalsContact CG-C 3.48Å; P27-Q123 WeakPolarHBondContact CG-O 3.46Å; I97-Q123 PolarHBondContact O-N 2.65Å; I99-Q123 HydrophobicContact CB-CB 4.13Å; I99-Q123 HydrophobicContact CB-CG 4.43Å; I99-Q123 HydrophobicContact CG2-CB 3.69Å; I99-Q123 HydrophobicContact CG2-CG 3.99Å; K121-Q123 PolarHBondContact O-N 3.49Å
124G95.2Very high95.9Very high7 Ų764 Ų647%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-172.1173.8-176.300000111.3V96 I97V96-G124 WeakPolarHBondContact CA-O 3.4Å; I97-G124 WeakPolarHBondContact CG1-O 3.35Å; I97-G124 PolarHBondContact N-O 3.05Å
125T97.3Very high96.3Very high9 Ų962.9 Ų62.96%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-120.2146.9178.8550000111V26 P29 S62 P93 H95 V96V26-T125 HydrophobicContact CG1-CG2 3.93Å; P29-T125 WeakPolarHBondContact CA-OG1 3.32Å; P29-T125 WeakPolarHBondContact CB-OG1 3.14Å; S62-T125 WeakPolarHBondContact CB-O 3.44Å; S62-T125 PolarHBondContact N-O 2.73Å; P93-T125 WeakPolarHBondContact O-CB 3.43Å; H95-T125 CarbonylContact O-C 3.56Å; H95-T125 VanDerWaalsContact O-CA 3.24Å; H95-T125 WeakPolarHBondContact O-CA 3.45Å; V96-T125 HydrophobicContact CG2-CG2 4.21Å
126V98.1Very high96.5Very high3 Ų356.4 Ų56.42%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-140.6147.6-176.1-52.40000109.3Q59 L60 P93 F94 H95 I97Q59-V126 HydrophobicContact CB-CB 4.15Å; Q59-V126 HydrophobicContact CB-CG2 3.92Å; Q59-V126 HydrophobicContact CG-CG2 4.24Å; L60-V126 CarbonylContact O-C 3.57Å; L60-V126 WeakPolarHBondContact O-CA 3.45Å; P93-V126 CarbonylContact C-O 3.54Å; P93-V126 VanDerWaalsContact CA-C 3.43Å; P93-V126 VanDerWaalsContact CA-O 3.29Å; P93-V126 WeakPolarHBondContact CA-O 3.48Å; F94-V126 PolarHBondContact N-O 2.82Å; H95-V126 HydrophobicContact CB-CG2 3.78Å; H95-V126 WeakPolarHBondContact CB-O 3.08Å; H95-V126 PolarHBondContact N-O 3.33Å; H95-V126 PolarHBondContact O-N 3.2Å; I97-V126 HydrophobicContact CD1-CG1 4.25Å; I97-V126 HydrophobicContact CG1-CG1 4.28Å; I97-V126 HydrophobicContact CG2-CG1 3.71Å; I97-V126 HydrophobicContact CG2-CG2 3.9Å
127A98.3Very high96.7Very high0 Ų046.6 Ų46.60%027%0.267CS..EExtended strand (participates in β ladder)trans-91.3127.3170.500000108.4Q59 L60 L65 V91 H92Q59-A127 CarbonylContact C-O 3.45Å; Q59-A127 VanDerWaalsContact CA-O 3.31Å; Q59-A127 WeakPolarHBondContact CA-O 3.21Å; L60-A127 HydrophobicContact CB-CB 4.5Å; L60-A127 PolarHBondContact N-O 3.21Å; L60-A127 PolarHBondContact O-N 2.88Å; L65-A127 HydrophobicContact CD1-CB 3.97Å; V91-A127 HydrophobicContact CB-CB 4.02Å; V91-A127 HydrophobicContact CG2-CB 4.15Å; H92-A127 WeakPolarHBondContact O-CB 3.39Å
128R98.1Very high96.9Very high58 Ų5843.1 Ų43.122%0.21923%0.23CC..EExtended strand (participates in β ladder)trans-82.6129.1169.9-63.1-179.567.8154.70.1107.5C12 N14 Y57 Q59 H95C12-R128 PolarHBondContact SG-NE 2.87Å; C12-R128 VanDerWaalsContact SG-NE 3.38Å; N14-R128 PolarHBondContact O-NH1 3.27Å; N14-R128 PolarHBondContact O-NH2 3.43Å; Y57-R128 PolarHBondContact OH-NH2 3.04Å; Q59-R128 HydrophobicContact CG-CG 4.31Å; H95-R128 HydrophobicContact CB-CG 4.01Å
129V97.9Very high97Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-121.3138.1-179.9-62.50000111.4Y57 E58 L60 V91 Q133Y57-V129 WeakPolarHBondContact CA-O 3.39Å; Y57-V129 VanDerWaalsContact CD2-O 3.24Å; Y57-V129 WeakPolarHBondContact CD2-O 3.32Å; E58-V129 HydrophobicContact CG-CG2 3.86Å; E58-V129 PolarHBondContact N-O 2.97Å; E58-V129 WeakPolarHBondContact O-CG2 3.28Å; E58-V129 PolarHBondContact O-N 3.43Å; L60-V129 HydrophobicContact CD1-CG1 3.71Å; L60-V129 HydrophobicContact CD1-CG2 4.13Å; L60-V129 HydrophobicContact CD2-CG2 4.39Å; L60-V129 HydrophobicContact CG-CG1 3.97Å; L60-V129 HydrophobicContact CG-CG2 3.86Å; V91-V129 HydrophobicContact CB-CG1 4.32Å; V91-V129 HydrophobicContact CG1-CG1 3.75Å; V129-Q133 VanDerWaalsContact CA-OE1 3.24Å
130D97.7Very high97.2Very high88 Ų8834.9 Ų34.947%0.47119%0.187SC..  trans-93.5160174-67.4-48.2000112Y57 G132 Q133Y57-D130 WeakPolarHBondContact CD2-OD1 3.39Å; Y57-D130 WeakPolarHBondContact CE2-OD1 3.42Å; D130-G132 PolarHBondContact O-N 3.34Å; D130-Q133 HydrophobicContact CB-CB 4.34Å; D130-Q133 WeakPolarHBondContact O-CB 3.16Å; D130-Q133 PolarHBondContact O-N 3.46Å
131I97.9Very high97.2Very high115 Ų11539.7 Ų39.759%0.5920%0.202SC*.THydrogen-bonded Turntrans-62.6128.3173.2-57.8171.1000108.2Q133I131-Q133 VanDerWaalsContact C-N 3.29Å; I131-Q133 PolarHBondContact O-N 3.3Å
132G97.2Very high97.3Very high49 Ų4934.9 Ų34.951%0.50519%0.185SC..THydrogen-bonded Turntrans84.2-4.6-175.900000114.5I53 S54 D130I53-G132 VanDerWaalsContact CG2-C 3.45Å; I53-G132 WeakPolarHBondContact CG2-O 3.33Å; S54-G132 PolarHBondContact O-N 2.9Å; D130-G132 PolarHBondContact O-N 3.34Å
133Q98.1Very high97.3Very high71 Ų7139.5 Ų39.533%0.33220%0.203SC..  trans-74133178.6-169.2176.84.600111.7I53 S54 V129 D130 I131 I135I53-Q133 WeakPolarHBondContact CA-O 3.27Å; S54-Q133 PolarHBondContact N-O 3.45Å; V129-Q133 VanDerWaalsContact CA-OE1 3.24Å; D130-Q133 HydrophobicContact CB-CB 4.34Å; D130-Q133 WeakPolarHBondContact O-CB 3.16Å; D130-Q133 PolarHBondContact O-N 3.46Å; I131-Q133 VanDerWaalsContact C-N 3.29Å; I131-Q133 PolarHBondContact O-N 3.3Å; Q133-I135 PolarHBondContact O-N 3.26Å
134V98Very high97.4Very high39 Ų3936.6 Ų36.624%0.23619%0.19CC..EExtended strand (participates in β ladder)trans-73.1123.7175.9-176.90000110.3H51 I53 R90 S137H51-V134 HydrophobicContact CB-CG1 3.93Å; H51-V134 HydrophobicContact CB-CG2 4.3Å; I53-V134 HydrophobicContact CG1-CG2 4.11Å; R90-V134 WeakPolarHBondContact CB-O 3.21Å; R90-V134 HydrophobicContact CG-CG1 3.97Å; V134-S137 VanDerWaalsContact CG1-OG 3.23Å; V134-S137 WeakPolarHBondContact CG1-OG 3.45Å
135I98Very high97.5Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-89.4-52.4178.8-59.2165.6000110.6M52 L60 L65 R90 V91 Q133 F159 Q163M52-I135 PolarHBondContact O-N 3.4Å; L60-I135 HydrophobicContact CD1-CB 4.47Å; L60-I135 HydrophobicContact CD1-CD1 3.68Å; L60-I135 HydrophobicContact CD1-CG1 3.85Å; L60-I135 HydrophobicContact CD1-CG2 3.76Å; L65-I135 HydrophobicContact CD2-CG2 4.2Å; R90-I135 PolarHBondContact N-O 2.73Å; V91-I135 HydrophobicContact CG2-CG2 3.83Å; Q133-I135 PolarHBondContact O-N 3.26Å; I135-F159 HydrophobicContact CG2-CD2 4.48Å; I135-F159 HydrophobicContact CG2-CE1 4.35Å; I135-F159 HydrophobicContact CG2-CE2 3.72Å; I135-F159 HydrophobicContact CG2-CZ 3.64Å; I135-Q163 HydrophobicContact CD1-CG 3.75Å
136M98.1Very high97.6Very high1 Ų142.9 Ų42.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-133.9141-177.3-177.8-173.3-77.400108.9M52 A68 A72 R88 I89 L152 A155M52-M136 HydrophobicContact CB-CB 4.27Å; M52-M136 PolarHBondContact N-O 2.72Å; M52-M136 PolarHBondContact O-N 2.98Å; A68-M136 HydrophobicContact CB-CE 4.33Å; A72-M136 HydrophobicContact CB-CE 3.99Å; A72-M136 HydrophobicContact CB-SD 3.82Å; R88-M136 WeakPolarHBondContact O-CA 3.28Å; I89-M136 HydrophobicContact CD1-CB 4.15Å; I89-M136 HydrophobicContact CD1-CE 3.19Å; I89-M136 HydrophobicContact CD1-CG 4.01Å; I89-M136 HydrophobicContact CD1-SD 4.4Å; I89-M136 HydrophobicContact CG1-CE 4.47Å; M136-L152 HydrophobicContact CB-CD2 4.36Å; M136-L152 HydrophobicContact CG-CD2 3.96Å; M136-L152 HydrophobicContact SD-CD2 3.44Å; M136-L152 WeakPolarHBondContact SD-CD2 3.34Å; M136-A155 HydrophobicContact CE-CB 4.37Å; M136-A155 HydrophobicContact SD-CB 4.47Å
137S98.1Very high97.6Very high1 Ų145.4 Ų45.41%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-128.4139.8175.2-54.10000109.3V50 H51 G87 R88 R90 V134V50-S137 WeakPolarHBondContact O-CA 3.39Å; H51-S137 PolarHBondContact CE1-OG 3.03Å; H51-S137 WeakPolarHBondContact ND1-CB 3.32Å; H51-S137 PolarHBondContact ND1-OG 3.45Å; G87-S137 CarbonylContact C-O 3.53Å; G87-S137 WeakPolarHBondContact CA-O 3.35Å; R88-S137 PolarHBondContact N-O 2.84Å; R88-S137 PolarHBondContact O-N 3.36Å; R90-S137 WeakPolarHBondContact CG-OG 3.46Å; V134-S137 VanDerWaalsContact CG1-OG 3.23Å; V134-S137 WeakPolarHBondContact CG1-OG 3.45Å
138V98.2Very high97.5Very high2 Ų245.4 Ų45.41%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-127.2126.4173.2179.40000107.6C49 V50 L76 F85 H86 V148 L152C49-V138 WeakPolarHBondContact CA-O 3.34Å; V50-V138 PolarHBondContact N-O 2.97Å; V50-V138 PolarHBondContact O-N 3.33Å; L76-V138 HydrophobicContact CD1-CG1 4.04Å; L76-V138 HydrophobicContact CD1-CG2 4.26Å; F85-V138 HydrophobicContact CB-CG1 4.22Å; F85-V138 HydrophobicContact CD2-CG1 4.4Å; H86-V138 WeakPolarHBondContact O-CA 2.98Å; V138-V148 HydrophobicContact CB-CG1 3.65Å; V138-V148 HydrophobicContact CG1-CG1 3.74Å; V138-V148 HydrophobicContact CG1-CG2 3.96Å; V138-V148 HydrophobicContact CG2-CG1 4.37Å; V138-L152 HydrophobicContact CG2-CD2 4.11Å
139R97.7Very high97.6Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-104141.3165.368.4175.5-168.8172.94.7110A41 F46 L48 F85 H86 F173 V195A41-R139 PolarHBondContact O-NH2 2.93Å; F46-R139 HydrophobicContact CB-CB 4.05Å; F46-R139 HydrophobicContact CB-CG 3.83Å; F46-R139 HydrophobicContact CD2-CG 4.03Å; F46-R139 HydrophobicContact CG-CG 4.36Å; L48-R139 CarbonylContact O-C 3.42Å; L48-R139 WeakPolarHBondContact O-CA 3.26Å; L48-R139 VanDerWaalsContact O-CB 3.28Å; L48-R139 WeakPolarHBondContact O-CB 3.41Å; F85-R139 CarbonylContact C-O 3.56Å; F85-R139 WeakPolarHBondContact CA-O 3.31Å; H86-R139 HydrophobicContact CB-CG 3.77Å; H86-R139 PolarHBondContact N-O 2.72Å; H86-R139 PolarHBondContact ND1-NE 3.32Å; H86-R139 VanDerWaalsContact ND1-NE 3.18Å; H86-R139 PolarHBondContact ND1-NH2 3.45Å; H86-R139 PolarHBondContact O-N 3.46Å; R139-F173 HydrophobicContact CB-CD1 4.01Å; R139-F173 HydrophobicContact CB-CE1 3.82Å; R139-F173 HydrophobicContact CB-CZ 4.26Å; R139-F173 HydrophobicContact CG-CD1 4.18Å; R139-F173 HydrophobicContact CG-CD2 4.31Å; R139-F173 HydrophobicContact CG-CE1 3.94Å; R139-F173 HydrophobicContact CG-CE2 4.09Å; R139-F173 HydrophobicContact CG-CG 4.36Å; R139-F173 HydrophobicContact CG-CZ 3.89Å; R139-V195 PolarHBondContact NH1-O 3.14Å
140A97.5Very high97.6Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-153.4-178.7-177.400000110.7F46 L48 S84 F85 H144 V148F46-A140 CarbonylContact C-O 3.54Å; F46-A140 WeakPolarHBondContact CA-O 3.44Å; L48-A140 WeakPolarHBondContact CB-O 3.36Å; L48-A140 PolarHBondContact N-O 3.11Å; L48-A140 PolarHBondContact O-N 3.19Å; L48-A140 VanDerWaalsContact O-N 3.11Å; S84-A140 WeakPolarHBondContact O-CA 3.32Å; S84-A140 WeakPolarHBondContact O-CB 3.3Å; F85-A140 HydrophobicContact CB-CB 4.05Å; A140-H144 HydrophobicContact CB-CB 4.5Å; A140-V148 HydrophobicContact CB-CG2 3.92Å
141R95.8Very high97.6Very high109 Ų10943.2 Ų43.241%0.41123%0.231SC..  trans-71.1148.8163.8-62.1-179.4-177.3165.10.3110.2F46 Q143 H144F46-R141 HydrophobicContact CD1-CG 4.04Å; F46-R141 HydrophobicContact CE1-CG 4.18Å; R141-Q143 HydrophobicContact CB-CG 4.01Å; R141-Q143 PolarHBondContact O-N 3.4Å; R141-H144 PolarHBondContact O-N 2.87Å
142D96.4Very high97.6Very high65 Ų6537.7 Ų37.735%0.34820%0.202SC..G310 helixtrans-58.7-33.7-176.8-73.7-44.3000113.4L48 H144 Q145 R178L48-D142 WeakPolarHBondContact CB-OD1 3.46Å; D142-H144 PolarHBondContact O-N 2.84Å; D142-Q145 WeakPolarHBondContact O-CB 3.31Å; D142-Q145 PolarHBondContact O-N 3.38Å; D142-Q145 VanDerWaalsContact O-N 3.12Å; D142-R178 VanDerWaalsContact CG-NH2 3.27Å; D142-R178 IonicContact OD1-CZ 3.33Å; D142-R178 IonicContact OD1-NH1 2.74Å; D142-R178 PolarHBondContact OD1-NH1 2.92Å; D142-R178 IonicContact OD1-NH2 3.11Å; D142-R178 PolarHBondContact OD1-NH2 3.33Å; D142-R178 VanDerWaalsContact OD1-NH2 3.11Å; D142-R178 IonicContact OD2-CZ 3.7Å; D142-R178 IonicContact OD2-NH1 3.86Å; D142-R178 IonicContact OD2-NH2 2.72Å; D142-R178 PolarHBondContact OD2-NH2 2.92Å
143Q96.2Very high97.7Very high129 Ų12940 Ų4060%0.60320%0.196SC*.G310 helixtrans-56-20.9176.769.4-176.218.100114.3R141R141-Q143 HydrophobicContact CB-CG 4.01Å; R141-Q143 PolarHBondContact O-N 3.4Å
144H96.3Very high97.7Very high22 Ų2241.5 Ų41.510%0.10220%0.198CC..G310 helixtrans-101.814.4-176.9-64.2-47.7000114C80 A140 R141 D142 A146 Q147 V148C80-H144 HydrophobicContact CB-CB 4.49Å; A140-H144 HydrophobicContact CB-CB 4.5Å; R141-H144 PolarHBondContact O-N 2.87Å; D142-H144 PolarHBondContact O-N 2.84Å; H144-A146 PolarHBondContact O-N 2.77Å; H144-Q147 VanDerWaalsContact C-OE1 3.29Å; H144-Q147 VanDerWaalsContact CA-OE1 3.28Å; H144-Q147 PolarHBondContact O-N 3.29Å; H144-Q147 PolarHBondContact O-OE1 2.87Å; H144-V148 WeakPolarHBondContact O-CG2 3.3Å; H144-V148 PolarHBondContact O-N 2.72Å
145Q97.4Very high97.7Very high80 Ų8039.6 Ų39.637%0.37419%0.187SC..Hα-helixtrans-55.3-47.8-176.2-177.8174.8-43.600113.3L48 D142 Q147 V148 I149L48-Q145 HydrophobicContact CD1-CB 4.44Å; L48-Q145 HydrophobicContact CD1-CG 4.21Å; L48-Q145 HydrophobicContact CD2-CB 3.73Å; L48-Q145 HydrophobicContact CD2-CG 4.18Å; D142-Q145 WeakPolarHBondContact O-CB 3.31Å; D142-Q145 PolarHBondContact O-N 3.38Å; D142-Q145 VanDerWaalsContact O-N 3.12Å; Q145-Q147 VanDerWaalsContact C-N 3.32Å; Q145-Q147 PolarHBondContact O-N 2.68Å; Q145-V148 PolarHBondContact O-N 2.83Å; Q145-I149 HydrophobicContact CG-CD1 4Å; Q145-I149 WeakPolarHBondContact O-CG1 3.32Å; Q145-I149 PolarHBondContact O-N 2.74Å
146A97.9Very high97.6Very high68 Ų6842.6 Ų42.656%0.56220%0.2SC*.Hα-helixtrans-61.1-42.1-179.700000111.9H144 I149 E150H144-A146 PolarHBondContact O-N 2.77Å; A146-I149 PolarHBondContact O-N 3.33Å; A146-E150 PolarHBondContact O-N 3.01Å
147Q98Very high97.6Very high56 Ų5648.4 Ų48.426%0.26223%0.229SC..Hα-helixtrans-68.9-37.4-179.7-6576.37.900111.4Y75 H79 C80 H144 Q145 E150 A151Y75-Q147 HydrophobicContact CE1-CB 4.09Å; Y75-Q147 WeakPolarHBondContact CE1-O 3.37Å; H79-Q147 HydrophobicContact CB-CB 4.47Å; H79-Q147 HydrophobicContact CB-CG 3.98Å; C80-Q147 VanDerWaalsContact SG-CB 3.51Å; H144-Q147 VanDerWaalsContact C-OE1 3.29Å; H144-Q147 VanDerWaalsContact CA-OE1 3.28Å; H144-Q147 PolarHBondContact O-N 3.29Å; H144-Q147 PolarHBondContact O-OE1 2.87Å; Q145-Q147 VanDerWaalsContact C-N 3.32Å; Q145-Q147 PolarHBondContact O-N 2.68Å; Q147-E150 PolarHBondContact O-N 2.96Å; Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 3.04Å
148V98.1Very high97.6Very high0 Ų053.5 Ų53.50%025%0.251CS..Hα-helixtrans-65.9-43.5175175.70000111.3V50 L76 V138 A140 H144 Q145 E150 A151 L152V50-V148 HydrophobicContact CB-CG1 3.65Å; V50-V148 HydrophobicContact CG1-CG1 4.4Å; V50-V148 HydrophobicContact CG2-CB 4.22Å; V50-V148 HydrophobicContact CG2-CG1 3.61Å; L76-V148 HydrophobicContact CD2-CG2 3.92Å; V138-V148 HydrophobicContact CB-CG1 3.65Å; V138-V148 HydrophobicContact CG1-CG1 3.74Å; V138-V148 HydrophobicContact CG1-CG2 3.96Å; V138-V148 HydrophobicContact CG2-CG1 4.37Å; A140-V148 HydrophobicContact CB-CG2 3.92Å; H144-V148 WeakPolarHBondContact O-CG2 3.3Å; H144-V148 PolarHBondContact O-N 2.72Å; Q145-V148 PolarHBondContact O-N 2.83Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.83Å; V148-A151 WeakPolarHBondContact O-CB 3.5Å; V148-A151 PolarHBondContact O-N 2.99Å; V148-L152 HydrophobicContact CG1-CD1 4.36Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.42Å
149I98.3Very high97.6Very high58 Ų5854.1 Ų54.130%0.29725%0.253SS..Hα-helixtrans-60.4-45.5176.1-67.9170000110.3V50 Q145 A146 A151 L152 R153 I165 V167V50-I149 HydrophobicContact CG1-CG1 4.16Å; Q145-I149 HydrophobicContact CG-CD1 4Å; Q145-I149 WeakPolarHBondContact O-CG1 3.32Å; Q145-I149 PolarHBondContact O-N 2.74Å; A146-I149 PolarHBondContact O-N 3.33Å; I149-A151 PolarHBondContact O-N 2.96Å; I149-L152 PolarHBondContact O-N 3.18Å; I149-R153 PolarHBondContact O-N 3.11Å; I149-I165 HydrophobicContact CG1-CG2 4.45Å; I149-I165 HydrophobicContact CG2-CG2 4.32Å; I149-V167 HydrophobicContact CD1-CG2 4.05Å
150E98.2Very high97.5Very high42 Ų4256.1 Ų56.120%0.19627%0.266CS..Hα-helixtrans-65-39178.3177.954.2-158.100112.4Y75 A146 Q147 V148 L152 R153 R154Y75-E150 HydrophobicContact CE1-CB 3.91Å; Y75-E150 HydrophobicContact CE1-CG 3.83Å; Y75-E150 HydrophobicContact CE2-CG 3.81Å; Y75-E150 VanDerWaalsContact OH-CG 3.28Å; Y75-E150 WeakPolarHBondContact OH-CG 3.31Å; A146-E150 PolarHBondContact O-N 3.01Å; Q147-E150 PolarHBondContact O-N 2.96Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 2.83Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.94Å; E150-R153 WeakPolarHBondContact O-CB 3.44Å; E150-R153 PolarHBondContact O-N 3.46Å; E150-R153 IonicContact OE1-CZ 3.51Å; E150-R153 IonicContact OE1-NE 2.65Å; E150-R153 PolarHBondContact OE1-NE 3.36Å; E150-R153 IonicContact OE1-NH2 3.09Å; E150-R153 PolarHBondContact OE1-NH2 3.46Å; E150-R153 WeakPolarHBondContact OE2-CD 3.5Å; E150-R153 IonicContact OE2-CZ 2.71Å; E150-R153 IonicContact OE2-NE 3.62Å; E150-R153 PolarHBondContact OE2-NE 3.01Å; E150-R153 IonicContact OE2-NH2 3.32Å; E150-R154 WeakPolarHBondContact O-CG 3.43Å; E150-R154 PolarHBondContact O-N 3.37Å; E150-R154 IonicContact OE1-CZ 2.74Å; E150-R154 IonicContact OE1-NE 3.88Å; E150-R154 PolarHBondContact OE1-NE 3.46Å; E150-R154 IonicContact OE1-NH2 3.94Å; E150-R154 PolarHBondContact OE1-NH2 2.96Å
151A98.3Very high97.4Very high0 Ų057.6 Ų57.60%028%0.282CS..Hα-helixtrans-58.6-45.5174.200000111.7Y75 L76 Q147 V148 I149 R154 A155Y75-A151 HydrophobicContact CD1-CB 3.72Å; Y75-A151 HydrophobicContact CG-CB 4.39Å; L76-A151 HydrophobicContact CD1-CB 4.14Å; L76-A151 HydrophobicContact CD2-CB 3.82Å; L76-A151 HydrophobicContact CG-CB 3.68Å; Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 3.04Å; V148-A151 WeakPolarHBondContact O-CB 3.5Å; V148-A151 PolarHBondContact O-N 2.99Å; I149-A151 PolarHBondContact O-N 2.96Å; A151-R154 PolarHBondContact O-N 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.19Å; A151-A155 PolarHBondContact O-N 3.38Å
152L98.3Very high97.5Very high0 Ų061.1 Ų61.10%030%0.295CS..Hα-helixtrans-69.1-35177.5-65.6178.8000111.6V50 M52 M136 V138 V148 I149 E150 R154 A155 K156 I165V50-L152 HydrophobicContact CB-CD1 3.9Å; V50-L152 HydrophobicContact CG1-CD1 3.53Å; M52-L152 HydrophobicContact CB-CD2 4.2Å; M52-L152 HydrophobicContact CE-CB 3.99Å; M52-L152 HydrophobicContact CE-CD2 3.8Å; M52-L152 HydrophobicContact CE-CG 4.5Å; M52-L152 WeakPolarHBondContact CE-O 3.21Å; M136-L152 HydrophobicContact CB-CD2 4.36Å; M136-L152 HydrophobicContact CG-CD2 3.96Å; M136-L152 HydrophobicContact SD-CD2 3.44Å; M136-L152 WeakPolarHBondContact SD-CD2 3.34Å; V138-L152 HydrophobicContact CG2-CD2 4.11Å; V148-L152 HydrophobicContact CG1-CD1 4.36Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.42Å; I149-L152 PolarHBondContact O-N 3.18Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.94Å; L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3.32Å; L152-A155 PolarHBondContact O-N 3.29Å; L152-K156 PolarHBondContact O-N 2.89Å; L152-I165 HydrophobicContact CB-CD1 3.87Å; L152-I165 HydrophobicContact CB-CG1 4.08Å; L152-I165 HydrophobicContact CB-CG2 4.3Å; L152-I165 HydrophobicContact CD1-CG2 4.09Å
153R98.2Very high97.6Very high98 Ų9858.8 Ų58.837%0.3728%0.282SS..Hα-helixtrans-60.9-40.3173.4-167.8-160.165.883.12.6111.5I149 E150 K156 I165I149-R153 PolarHBondContact O-N 3.11Å; E150-R153 WeakPolarHBondContact O-CB 3.44Å; E150-R153 PolarHBondContact O-N 3.46Å; E150-R153 IonicContact OE1-CZ 3.51Å; E150-R153 IonicContact OE1-NE 2.65Å; E150-R153 PolarHBondContact OE1-NE 3.36Å; E150-R153 IonicContact OE1-NH2 3.09Å; E150-R153 PolarHBondContact OE1-NH2 3.46Å; E150-R153 WeakPolarHBondContact OE2-CD 3.5Å; E150-R153 IonicContact OE2-CZ 2.71Å; E150-R153 IonicContact OE2-NE 3.62Å; E150-R153 PolarHBondContact OE2-NE 3.01Å; E150-R153 IonicContact OE2-NH2 3.32Å; R153-K156 WeakPolarHBondContact O-CG 3.29Å; R153-I165 HydrophobicContact CB-CD1 3.98Å; R153-I165 VanDerWaalsContact N-CD1 3.34Å
154R98.3Very high97.6Very high101 Ų10157.9 Ų57.938%0.38128%0.276SS..Hα-helixtrans-70.4-40.5175.6-66.8176.9-178.2-142.10.6112.2E150 A151 L152 M157E150-R154 WeakPolarHBondContact O-CG 3.43Å; E150-R154 PolarHBondContact O-N 3.37Å; E150-R154 IonicContact OE1-CZ 2.74Å; E150-R154 IonicContact OE1-NE 3.88Å; E150-R154 PolarHBondContact OE1-NE 3.46Å; E150-R154 IonicContact OE1-NH2 3.94Å; E150-R154 PolarHBondContact OE1-NH2 2.96Å; A151-R154 PolarHBondContact O-N 3.24Å; L152-R154 VanDerWaalsContact C-N 3.3Å; L152-R154 PolarHBondContact O-N 3.32Å; R154-M157 WeakPolarHBondContact O-CB 3.36Å; R154-M157 PolarHBondContact O-N 3.31Å
155A98.1Very high97.7Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-67.4-36.4178.800000112.7M52 A68 A72 M136 A151 L152 M157 K158M52-A155 HydrophobicContact CE-CB 3.58Å; A68-A155 HydrophobicContact CB-CB 4.16Å; A72-A155 HydrophobicContact CB-CB 4.06Å; M136-A155 HydrophobicContact CE-CB 4.37Å; M136-A155 HydrophobicContact SD-CB 4.47Å; A151-A155 WeakPolarHBondContact O-CB 3.19Å; A151-A155 PolarHBondContact O-N 3.38Å; L152-A155 PolarHBondContact O-N 3.29Å; A155-M157 PolarHBondContact O-N 3.38Å; A155-K158 WeakPolarHBondContact O-CB 3.43Å; A155-K158 PolarHBondContact O-N 3.44Å
156K97.1Very high97.7Very high62 Ų6257.2 Ų57.227%0.2728%0.281SS..Hα-helixtrans-62.3-28.417768.9167.7-170.7179.10113.4M52 L152 R153 K158 F159 Q163 I165M52-K156 HydrophobicContact CE-CB 4.17Å; M52-K156 HydrophobicContact SD-CB 3.99Å; L152-K156 PolarHBondContact O-N 2.89Å; R153-K156 WeakPolarHBondContact O-CG 3.29Å; K156-K158 PolarHBondContact O-N 3.41Å; K156-F159 PolarHBondContact O-N 2.84Å; K156-Q163 HydrophobicContact CB-CB 3.9Å; K156-Q163 HydrophobicContact CB-CG 4.41Å; K156-Q163 HydrophobicContact CD-CB 4.37Å; K156-I165 HydrophobicContact CD-CD1 4.43Å
157M97.6Very high97.7Very high123 Ų12357 Ų5761%0.60627%0.272SS*.THydrogen-bonded Turntrans-64.6-10.3174.6-58.3-58.9-168.800113.6R154 A155R154-M157 WeakPolarHBondContact O-CB 3.36Å; R154-M157 PolarHBondContact O-N 3.31Å; A155-M157 PolarHBondContact O-N 3.38Å
158K98Very high97.7Very high108 Ų10855.3 Ų55.347%0.4727%0.266SS..THydrogen-bonded Turntrans-92.7-10.3174.4-54-52.7179.6-170.80112.8A67 A68 C71 A155 K156A67-K158 HydrophobicContact CB-CB 4.29Å; A67-K158 HydrophobicContact CB-CG 4.28Å; A68-K158 HydrophobicContact CB-CB 4.09Å; C71-K158 HydrophobicContact CB-CG 4.47Å; A155-K158 WeakPolarHBondContact O-CB 3.43Å; A155-K158 PolarHBondContact O-N 3.44Å; K156-K158 PolarHBondContact O-N 3.41Å
159F97.3Very high97.6Very high16 Ų1665.8 Ų65.87%0.0731%0.306CS..SBendtrans-96.8149.1176.3-65.4-53.4000111.2M52 L60 A64 L65 A68 I135 K156M52-F159 HydrophobicContact CE-CE2 4.44Å; M52-F159 HydrophobicContact SD-CD2 3.63Å; M52-F159 HydrophobicContact SD-CE2 3.56Å; M52-F159 VanDerWaalsContact SD-CE2 3.56Å; L60-F159 HydrophobicContact CB-CD1 4.42Å; L60-F159 HydrophobicContact CB-CE1 4.45Å; L60-F159 HydrophobicContact CD1-CD1 3.92Å; L60-F159 HydrophobicContact CD1-CE1 3.95Å; L60-F159 HydrophobicContact CD1-CG 4.44Å; L60-F159 HydrophobicContact CD2-CB 4.27Å; L60-F159 HydrophobicContact CD2-CD1 3.82Å; L60-F159 HydrophobicContact CD2-CG 4.28Å; L60-F159 HydrophobicContact CG-CD1 4.28Å; A64-F159 HydrophobicContact CB-CD1 4.12Å; A64-F159 HydrophobicContact CB-CE1 4.27Å; L65-F159 HydrophobicContact CD2-CE1 3.68Å; L65-F159 HydrophobicContact CD2-CZ 3.82Å; L65-F159 HydrophobicContact CG-CE1 4.27Å; A68-F159 HydrophobicContact CB-CD2 4.37Å; A68-F159 HydrophobicContact CB-CE1 3.99Å; A68-F159 HydrophobicContact CB-CE2 3.52Å; A68-F159 HydrophobicContact CB-CZ 3.29Å; I135-F159 HydrophobicContact CG2-CD2 4.48Å; I135-F159 HydrophobicContact CG2-CE1 4.35Å; I135-F159 HydrophobicContact CG2-CE2 3.72Å; I135-F159 HydrophobicContact CG2-CZ 3.64Å; K156-F159 PolarHBondContact O-N 2.84Å
160P96.8Very high97.6Very high41 Ų4165.3 Ų65.327%0.26630%0.304SS..SBendtrans-65.9166164.729.6-32000110.4R10 E58 L60 Q163R10-P160 HydrophobicContact CG-CB 4.43Å; E58-P160 WeakPolarHBondContact OE2-CG 3.33Å; L60-P160 HydrophobicContact CD2-CG 3.88Å; P160-Q163 PolarHBondContact O-NE2 3.06Å
161G95.6Very high97.5Very high32 Ų3264.5 Ų64.533%0.3330%0.299SS..SBendtrans69.1-159170.700000115.6E56E56-G161 VanDerWaalsContact CD-CA 3.47Å; E56-G161 WeakPolarHBondContact OE1-CA 3.44Å
162R97.2Very high97.4Very high183 Ų18364.5 Ų64.569%0.69130%0.3SS*.  trans-105.4130.2-179.6-63.1-179.2-174.7-169.11.6110.8D55 E56D55-R162 HydrophobicContact CB-CB 4.09Å; D55-R162 VanDerWaalsContact CB-O 3.3Å; D55-R162 WeakPolarHBondContact CB-O 3.16Å; D55-R162 PolarHBondContact N-O 3.08Å; E56-R162 PolarHBondContact OE1-N 2.85Å
163Q97.8Very high97.3Very high15 Ų1566 Ų667%0.0731%0.306CS..EExtended strand (participates in β ladder)trans-121.1142.2169.9-68.77235.300111.2M52 I53 I135 K156 P160M52-Q163 HydrophobicContact CG-CB 4.01Å; M52-Q163 HydrophobicContact CG-CG 4.26Å; M52-Q163 HydrophobicContact SD-CB 4.45Å; M52-Q163 HydrophobicContact SD-CG 4.32Å; I53-Q163 CarbonylContact O-C 3.47Å; I53-Q163 WeakPolarHBondContact O-CA 3.36Å; I53-Q163 WeakPolarHBondContact O-CB 3.39Å; I135-Q163 HydrophobicContact CD1-CG 3.75Å; K156-Q163 HydrophobicContact CB-CB 3.9Å; K156-Q163 HydrophobicContact CB-CG 4.41Å; K156-Q163 HydrophobicContact CD-CB 4.37Å; P160-Q163 PolarHBondContact O-NE2 3.06Å
164K97.6Very high97.3Very high111 Ų11162.2 Ų62.248%0.48329%0.294SS..EExtended strand (participates in β ladder)trans-101.8146.5174.9-69.1171.2176.2160.60109.5M52 I53 D55M52-K164 WeakPolarHBondContact CA-O 3.38Å; I53-K164 PolarHBondContact N-O 3.26Å; I53-K164 PolarHBondContact O-N 3.22Å; D55-K164 HydrophobicContact CB-CD 4.49Å; D55-K164 VanDerWaalsContact CG-CE 3.4Å; D55-K164 WeakPolarHBondContact OD1-CE 3.3Å; D55-K164 IonicContact OD1-NZ 2.7Å; D55-K164 PolarHBondContact OD1-NZ 2.74Å; D55-K164 WeakPolarHBondContact OD2-CE 3.43Å; D55-K164 IonicContact OD2-NZ 3Å; D55-K164 PolarHBondContact OD2-NZ 3.4Å
165I98.2Very high97.1Very high48 Ų4864.4 Ų64.425%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-114125.4173.7-60.8167.3000106.1V50 H51 I149 L152 R153 K156V50-I165 HydrophobicContact CG1-CG2 3.64Å; H51-I165 WeakPolarHBondContact O-CA 3.04Å; I149-I165 HydrophobicContact CG1-CG2 4.45Å; I149-I165 HydrophobicContact CG2-CG2 4.32Å; L152-I165 HydrophobicContact CB-CD1 3.87Å; L152-I165 HydrophobicContact CB-CG1 4.08Å; L152-I165 HydrophobicContact CB-CG2 4.3Å; L152-I165 HydrophobicContact CD1-CG2 4.09Å; R153-I165 HydrophobicContact CB-CD1 3.98Å; R153-I165 VanDerWaalsContact N-CD1 3.34Å; K156-I165 HydrophobicContact CD-CD1 4.43Å
166A97.7Very high97Very high39 Ų3966.7 Ų66.732%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-130.4134.3-178.500000110V50 H51 I53V50-A166 WeakPolarHBondContact CA-O 3.12Å; V50-A166 WeakPolarHBondContact CG1-O 3.44Å; H51-A166 PolarHBondContact N-O 3.23Å; H51-A166 PolarHBondContact O-N 3.24Å; I53-A166 HydrophobicContact CD1-CB 3.85Å
167V98Very high97Very high64 Ų6466.2 Ų66.239%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-80.7122.9168.4-176.60000107.5L48 V50 I149L48-V167 HydrophobicContact CD1-CG1 3.87Å; V50-V167 HydrophobicContact CG1-CG2 4.42Å; V50-V167 HydrophobicContact CG2-CG2 4.32Å; I149-V167 HydrophobicContact CD1-CG2 4.05Å
168S96.9Very high96.9Very high20 Ų2064 Ų6414%0.1430%0.303CS..  trans-73.7144.1179.2-166.40000110.7C49 N170C49-S168 WeakPolarHBondContact O-CB 3.31Å; C49-S168 PolarHBondContact O-N 3.02Å; S168-N170 PolarHBondContact OG-N 3.02Å
169R96.8Very high96.7Very high220 Ų22064.7 Ų64.783%0.8332%0.316SS*.SBendtrans-81-7.3169.2-61.4-179.5-179.4170.9-0.5112.3R178R169-R178 WeakPolarHBondContact O-CG 3.39Å; R169-R178 PolarHBondContact O-N 3.36Å
170N97.2Very high96.6Very high48 Ų4865.3 Ų65.326%0.25732%0.323SS..BIsolated β-bridgetrans-86156.2-178.5-63.2-4.8000111.8S168 G172 T174 W176S168-N170 PolarHBondContact OG-N 3.02Å; N170-G172 PolarHBondContact O-N 3.4Å; N170-T174 WeakPolarHBondContact CB-O 3.43Å; N170-T174 PolarHBondContact ND2-O 2.92Å; N170-W176 CarbonylContact C-O 3.45Å; N170-W176 WeakPolarHBondContact CA-O 3.45Å; N170-W176 WeakPolarHBondContact CB-O 3.42Å
171W96.9Very high96.5Very high25 Ų2563.4 Ų63.410%0.09531%0.31CS..SBendtrans-75109.1175.2-171.1-80.5000110.9V43 P47 F173 T174 W176 R178 F181V43-W171 PolarHBondContact O-NE1 3.44Å; P47-W171 HydrophobicContact CB-CD2 3.95Å; P47-W171 HydrophobicContact CB-CE3 3.91Å; P47-W171 HydrophobicContact CB-CH2 3.67Å; P47-W171 HydrophobicContact CB-CZ2 3.67Å; P47-W171 HydrophobicContact CB-CZ3 3.77Å; W171-F173 PolarHBondContact O-N 3.02Å; W171-T174 VanDerWaalsContact O-CB 3.32Å; W171-T174 WeakPolarHBondContact O-CB 3.42Å; W171-T174 WeakPolarHBondContact O-CG2 3.48Å; W171-T174 PolarHBondContact O-N 2.78Å; W171-T174 PolarHBondContact O-OG1 2.98Å; W171-W176 PolarHBondContact N-O 3.04Å; W171-R178 HydrophobicContact CB-CG 4.37Å; W171-R178 HydrophobicContact CE3-CB 4.4Å; W171-R178 HydrophobicContact CE3-CG 4.22Å; W171-F181 HydrophobicContact CB-CB 3.95Å; W171-F181 HydrophobicContact CB-CD1 4.23Å; W171-F181 HydrophobicContact CB-CD2 3.63Å; W171-F181 HydrophobicContact CB-CE2 4.17Å; W171-F181 HydrophobicContact CB-CG 3.66Å; W171-F181 AromaticContact CD1-CD1 3.91Å; W171-F181 AromaticContact CD1-CE1 3.65Å; W171-F181 AromaticContact CD1-CE2 3.82Å; W171-F181 AromaticContact CD1-CZ 3.61Å; W171-F181 HydrophobicContact CD2-CB 4.13Å; W171-F181 AromaticContact CD2-CD1 3.33Å; W171-F181 HydrophobicContact CD2-CD1 3.33Å; W171-F181 HydrophobicContact CD2-CD2 4.36Å; W171-F181 AromaticContact CD2-CE1 3.77Å; W171-F181 HydrophobicContact CD2-CE1 3.77Å; W171-F181 AromaticContact CD2-CG 3.68Å; W171-F181 HydrophobicContact CD2-CG 3.68Å; W171-F181 HydrophobicContact CD2-CZ 4.43Å; W171-F181 AromaticContact CE2-CD1 3.57Å; W171-F181 AromaticContact CE2-CE1 3.54Å; W171-F181 HydrophobicContact CE3-CB 3.95Å; W171-F181 AromaticContact CE3-CD1 3.69Å; W171-F181 HydrophobicContact CE3-CD1 3.69Å; W171-F181 HydrophobicContact CE3-CE1 4.49Å; W171-F181 AromaticContact CE3-CG 3.98Å; W171-F181 HydrophobicContact CE3-CG 3.98Å; W171-F181 HydrophobicContact CG-CB 4.16Å; W171-F181 AromaticContact CG-CD1 3.58Å; W171-F181 HydrophobicContact CG-CD1 3.58Å; W171-F181 AromaticContact CG-CD2 3.74Å; W171-F181 HydrophobicContact CG-CD2 3.74Å; W171-F181 AromaticContact CG-CE1 3.83Å; W171-F181 HydrophobicContact CG-CE1 3.83Å; W171-F181 AromaticContact CG-CE2 3.98Å; W171-F181 HydrophobicContact CG-CE2 3.98Å; W171-F181 AromaticContact CG-CG 3.53Å; W171-F181 HydrophobicContact CG-CG 3.53Å; W171-F181 HydrophobicContact CG-CZ 4.02Å; W171-F181 HydrophobicContact CH2-CD1 4.36Å; W171-F181 HydrophobicContact CZ2-CD1 4.09Å; W171-F181 HydrophobicContact CZ2-CE1 4.09Å; W171-F181 HydrophobicContact CZ3-CD1 4.19Å; W171-F181 AromaticContact NE1-CD1 3.92Å; W171-F181 AromaticContact NE1-CE1 3.5Å; W171-F181 AromaticContact NE1-CZ 3.8Å
172G96.1Very high96.4Very high1 Ų166.5 Ų66.51%0.0132%0.319CS..THydrogen-bonded Turntrans51.5-129.3178.100000112.7F46 P47 C49 N170 T174F46-G172 WeakPolarHBondContact O-CA 3.27Å; P47-G172 PolarHBondContact O-N 2.95Å; C49-G172 WeakPolarHBondContact CB-O 3.23Å; C49-G172 PolarHBondContact SG-O 3.06Å; N170-G172 PolarHBondContact O-N 3.4Å; G172-T174 VanDerWaalsContact C-N 3.3Å; G172-T174 PolarHBondContact O-N 3.12Å
173F96.7Very high96.3Very high32 Ų3263.4 Ų63.414%0.1431%0.313CS..THydrogen-bonded Turntrans-88.810.8177.7-68.1-16.5000114.4H86 R88 R139 W171 V195H86-F173 AromaticContact CE1-CE2 3.62Å; H86-F173 AromaticContact CG-CE2 3.88Å; H86-F173 AromaticContact ND1-CE2 3.57Å; H86-F173 AromaticContact NE2-CE2 3.92Å; H86-F173 VanDerWaalsContact O-CZ 3.3Å; H86-F173 WeakPolarHBondContact O-CZ 3.22Å; R88-F173 HydrophobicContact CB-CE2 3.79Å; R88-F173 HydrophobicContact CB-CZ 3.83Å; R139-F173 HydrophobicContact CB-CD1 4.01Å; R139-F173 HydrophobicContact CB-CE1 3.82Å; R139-F173 HydrophobicContact CB-CZ 4.26Å; R139-F173 HydrophobicContact CG-CD1 4.18Å; R139-F173 HydrophobicContact CG-CD2 4.31Å; R139-F173 HydrophobicContact CG-CE1 3.94Å; R139-F173 HydrophobicContact CG-CE2 4.09Å; R139-F173 HydrophobicContact CG-CG 4.36Å; R139-F173 HydrophobicContact CG-CZ 3.89Å; W171-F173 PolarHBondContact O-N 3.02Å; F173-V195 HydrophobicContact CD2-CG1 4.02Å
174T96.8Very high96.1Very high17 Ų1763.8 Ų63.810%0.10431%0.314CS..SBendtrans-83.9169.4179.677.50000111.5V43 N170 W171 G172 W176 F181 V197V43-T174 HydrophobicContact CG2-CG2 3.47Å; V43-T174 VanDerWaalsContact CG2-CG2 3.47Å; N170-T174 WeakPolarHBondContact CB-O 3.43Å; N170-T174 PolarHBondContact ND2-O 2.92Å; W171-T174 VanDerWaalsContact O-CB 3.32Å; W171-T174 WeakPolarHBondContact O-CB 3.42Å; W171-T174 WeakPolarHBondContact O-CG2 3.48Å; W171-T174 PolarHBondContact O-N 2.78Å; W171-T174 PolarHBondContact O-OG1 2.98Å; G172-T174 VanDerWaalsContact C-N 3.3Å; G172-T174 PolarHBondContact O-N 3.12Å; T174-W176 VanDerWaalsContact C-N 3.35Å; T174-W176 PolarHBondContact OG1-N 2.97Å; T174-F181 HydrophobicContact CG2-CE2 4.14Å; T174-V197 HydrophobicContact CG2-CG1 4.45Å; T174-V197 HydrophobicContact CG2-CG2 3.92Å
175K95.3Very high95.8Very high148 Ų14860.1 Ų60.164%0.64330%0.303SS*.SBendtrans-87.9-4.3173.565.3-179.4-177.9176.80113.4
176W96.2Very high95.4Very high48 Ų4862.2 Ų62.218%0.18233%0.327CS..SBendtrans-93.7137.6-170.3-57.2113000111N170 W171 T174 F181 M184 L190 Y199N170-W176 CarbonylContact C-O 3.45Å; N170-W176 WeakPolarHBondContact CA-O 3.45Å; N170-W176 WeakPolarHBondContact CB-O 3.42Å; W171-W176 PolarHBondContact N-O 3.04Å; T174-W176 VanDerWaalsContact C-N 3.35Å; T174-W176 PolarHBondContact OG1-N 2.97Å; W176-F181 HydrophobicContact CB-CD2 4.15Å; W176-M184 HydrophobicContact CD2-CE 4.13Å; W176-M184 HydrophobicContact CD2-SD 4.17Å; W176-M184 HydrophobicContact CE3-CE 3.86Å; W176-M184 HydrophobicContact CE3-SD 3.85Å; W176-M184 HydrophobicContact CH2-CE 3.88Å; W176-M184 HydrophobicContact CZ2-CE 4.14Å; W176-M184 HydrophobicContact CZ3-CE 3.75Å; W176-M184 HydrophobicContact CZ3-SD 4.25Å; W176-L190 HydrophobicContact CD2-CD1 4.41Å; W176-L190 HydrophobicContact CD2-CD2 4.48Å; W176-L190 HydrophobicContact CG-CD1 3.96Å; W176-L190 HydrophobicContact CZ2-CD2 4.04Å; W176-Y199 HydrophobicContact CH2-CD2 4.12Å; W176-Y199 HydrophobicContact CH2-CE2 4.24Å; W176-Y199 HydrophobicContact CH2-CG 4.35Å; W176-Y199 HydrophobicContact CZ2-CD1 4.46Å; W176-Y199 AromaticContact CZ2-CD2 3.76Å; W176-Y199 HydrophobicContact CZ2-CD2 3.76Å; W176-Y199 HydrophobicContact CZ2-CE2 4.34Å; W176-Y199 AromaticContact CZ2-CG 3.83Å; W176-Y199 HydrophobicContact CZ2-CG 3.83Å
177P96.6Very high95Very high51 Ų5167 Ų6733%0.33134%0.34SS..BIsolated β-bridgetrans-58.6146.5174-23.133.2000112.1T179 S180 F181P177-T179 PolarHBondContact O-N 3.09Å; P177-S180 PolarHBondContact O-N 2.94Å; P177-S180 PolarHBondContact O-OG 3.49Å; P177-F181 WeakPolarHBondContact O-CB 3.37Å; P177-F181 PolarHBondContact O-N 3.25Å
178R94.7Very high94.5Very high77 Ų7764.4 Ų64.429%0.29133%0.326SS..Hα-helixtrans-60-34.2176.1-71.9-179.463.2160.17.5113D142 R169 W171D142-R178 VanDerWaalsContact CG-NH2 3.27Å; D142-R178 IonicContact OD1-CZ 3.33Å; D142-R178 IonicContact OD1-NH1 2.74Å; D142-R178 PolarHBondContact OD1-NH1 2.92Å; D142-R178 IonicContact OD1-NH2 3.11Å; D142-R178 PolarHBondContact OD1-NH2 3.33Å; D142-R178 VanDerWaalsContact OD1-NH2 3.11Å; D142-R178 IonicContact OD2-CZ 3.7Å; D142-R178 IonicContact OD2-NH1 3.86Å; D142-R178 IonicContact OD2-NH2 2.72Å; D142-R178 PolarHBondContact OD2-NH2 2.92Å; R169-R178 WeakPolarHBondContact O-CG 3.39Å; R169-R178 PolarHBondContact O-N 3.36Å; W171-R178 HydrophobicContact CB-CG 4.37Å; W171-R178 HydrophobicContact CE3-CB 4.4Å; W171-R178 HydrophobicContact CE3-CG 4.22Å
179T95.1Very high94.2Very high122 Ų12266.5 Ų66.575%0.74833%0.334SS*.Hα-helixtrans-63.7-40.2-178.749.60000112.2P177P177-T179 PolarHBondContact O-N 3.09Å
180S94.8Very high94.1Very high30 Ų3056.3 Ų56.321%0.2130%0.296CS..Hα-helixtrans-94.8-16.7-177.164.40000113.8P177 N182 E183 M184P177-S180 PolarHBondContact O-N 2.94Å; P177-S180 PolarHBondContact O-OG 3.49Å; S180-N182 PolarHBondContact O-N 3.46Å; S180-E183 PolarHBondContact O-N 3.48Å; S180-M184 WeakPolarHBondContact O-CB 3.46Å; S180-M184 VanDerWaalsContact O-CG 3.28Å; S180-M184 WeakPolarHBondContact O-CG 3.19Å; S180-M184 PolarHBondContact O-N 3.45Å
181F95.4Very high93.8Very high1 Ų156.9 Ų56.90%0.00430%0.301CS..Hα-helixtrans-56.5-50.8-171.2-175.3-95.2000112.7V43 W171 T174 W176 P177 E183 M184 C185 L190 V197V43-F181 HydrophobicContact CG1-CZ 4.23Å; V43-F181 HydrophobicContact CG2-CE2 4.49Å; V43-F181 HydrophobicContact CG2-CZ 4.11Å; W171-F181 HydrophobicContact CB-CB 3.95Å; W171-F181 HydrophobicContact CB-CD1 4.23Å; W171-F181 HydrophobicContact CB-CD2 3.63Å; W171-F181 HydrophobicContact CB-CE2 4.17Å; W171-F181 HydrophobicContact CB-CG 3.66Å; W171-F181 AromaticContact CD1-CD1 3.91Å; W171-F181 AromaticContact CD1-CE1 3.65Å; W171-F181 AromaticContact CD1-CE2 3.82Å; W171-F181 AromaticContact CD1-CZ 3.61Å; W171-F181 HydrophobicContact CD2-CB 4.13Å; W171-F181 AromaticContact CD2-CD1 3.33Å; W171-F181 HydrophobicContact CD2-CD1 3.33Å; W171-F181 HydrophobicContact CD2-CD2 4.36Å; W171-F181 AromaticContact CD2-CE1 3.77Å; W171-F181 HydrophobicContact CD2-CE1 3.77Å; W171-F181 AromaticContact CD2-CG 3.68Å; W171-F181 HydrophobicContact CD2-CG 3.68Å; W171-F181 HydrophobicContact CD2-CZ 4.43Å; W171-F181 AromaticContact CE2-CD1 3.57Å; W171-F181 AromaticContact CE2-CE1 3.54Å; W171-F181 HydrophobicContact CE3-CB 3.95Å; W171-F181 AromaticContact CE3-CD1 3.69Å; W171-F181 HydrophobicContact CE3-CD1 3.69Å; W171-F181 HydrophobicContact CE3-CE1 4.49Å; W171-F181 AromaticContact CE3-CG 3.98Å; W171-F181 HydrophobicContact CE3-CG 3.98Å; W171-F181 HydrophobicContact CG-CB 4.16Å; W171-F181 AromaticContact CG-CD1 3.58Å; W171-F181 HydrophobicContact CG-CD1 3.58Å; W171-F181 AromaticContact CG-CD2 3.74Å; W171-F181 HydrophobicContact CG-CD2 3.74Å; W171-F181 AromaticContact CG-CE1 3.83Å; W171-F181 HydrophobicContact CG-CE1 3.83Å; W171-F181 AromaticContact CG-CE2 3.98Å; W171-F181 HydrophobicContact CG-CE2 3.98Å; W171-F181 AromaticContact CG-CG 3.53Å; W171-F181 HydrophobicContact CG-CG 3.53Å; W171-F181 HydrophobicContact CG-CZ 4.02Å; W171-F181 HydrophobicContact CH2-CD1 4.36Å; W171-F181 HydrophobicContact CZ2-CD1 4.09Å; W171-F181 HydrophobicContact CZ2-CE1 4.09Å; W171-F181 HydrophobicContact CZ3-CD1 4.19Å; W171-F181 AromaticContact NE1-CD1 3.92Å; W171-F181 AromaticContact NE1-CE1 3.5Å; W171-F181 AromaticContact NE1-CZ 3.8Å; T174-F181 HydrophobicContact CG2-CE2 4.14Å; W176-F181 HydrophobicContact CB-CD2 4.15Å; P177-F181 WeakPolarHBondContact O-CB 3.37Å; P177-F181 PolarHBondContact O-N 3.25Å; F181-E183 PolarHBondContact O-N 2.87Å; F181-M184 PolarHBondContact O-N 2.96Å; F181-C185 PolarHBondContact O-N 2.96Å; F181-C185 PolarHBondContact O-SG 2.92Å; F181-C185 VanDerWaalsContact O-SG 3.35Å; F181-L190 HydrophobicContact CD2-CD1 3.88Å; F181-L190 HydrophobicContact CE2-CD1 4.01Å; F181-V197 HydrophobicContact CE2-CG1 3.7Å; F181-V197 HydrophobicContact CE2-CG2 4.4Å; F181-V197 HydrophobicContact CZ-CG1 3.75Å
182N93Very high93.6Very high97 Ų9757.8 Ų57.852%0.51931%0.311SS..Hα-helixtrans-64.3-40.7-178.2-68.7-15.8000111.9S180 C185 A186S180-N182 PolarHBondContact O-N 3.46Å; N182-C185 PolarHBondContact O-N 3.49Å; N182-A186 WeakPolarHBondContact O-CB 3.24Å; N182-A186 PolarHBondContact O-N 3.49Å
183E94.3Very high93.5Very high118 Ų11863.1 Ų63.155%0.55134%0.34SS*.Hα-helixtrans-64.3-41.3176.4-64.3-179.2-175.800112S180 F181 A186 K187S180-E183 PolarHBondContact O-N 3.48Å; F181-E183 PolarHBondContact O-N 2.87Å; E183-A186 PolarHBondContact O-N 2.86Å; E183-K187 WeakPolarHBondContact O-CB 3.34Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.34Å; E183-K187 PolarHBondContact O-N 3.2Å
184M93.6Very high93.4Very high22 Ų2263.5 Ų63.511%0.10835%0.352CS..Hα-helixtrans-68.2-36.2178.2-69.3-178.775.200112.1W176 S180 F181 G188 Q189 L190 Y199W176-M184 HydrophobicContact CD2-CE 4.13Å; W176-M184 HydrophobicContact CD2-SD 4.17Å; W176-M184 HydrophobicContact CE3-CE 3.86Å; W176-M184 HydrophobicContact CE3-SD 3.85Å; W176-M184 HydrophobicContact CH2-CE 3.88Å; W176-M184 HydrophobicContact CZ2-CE 4.14Å; W176-M184 HydrophobicContact CZ3-CE 3.75Å; W176-M184 HydrophobicContact CZ3-SD 4.25Å; S180-M184 WeakPolarHBondContact O-CB 3.46Å; S180-M184 VanDerWaalsContact O-CG 3.28Å; S180-M184 WeakPolarHBondContact O-CG 3.19Å; S180-M184 PolarHBondContact O-N 3.45Å; F181-M184 PolarHBondContact O-N 2.96Å; M184-G188 PolarHBondContact O-N 2.83Å; M184-Q189 HydrophobicContact CB-CB 4.41Å; M184-Q189 HydrophobicContact CE-CB 4.46Å; M184-Q189 WeakPolarHBondContact O-CB 3.34Å; M184-Q189 PolarHBondContact O-N 2.95Å; M184-L190 HydrophobicContact CB-CD1 3.61Å; M184-L190 HydrophobicContact CB-CG 3.81Å; M184-L190 HydrophobicContact CE-CD1 4.17Å; M184-L190 HydrophobicContact CE-CD2 4.23Å; M184-L190 HydrophobicContact CE-CG 4.08Å; M184-L190 HydrophobicContact CG-CD1 4.47Å; M184-L190 PolarHBondContact O-N 3.02Å; M184-L190 HydrophobicContact SD-CD1 4.09Å; M184-Y199 HydrophobicContact CE-CD2 4.28Å; M184-Y199 HydrophobicContact CE-CE2 4.04Å
185C91.7Very high93.3Very high35 Ų3564.2 Ų64.224%0.23636%0.357CS..Hα-helixtrans-65.1-45.6171.1-690000111F181 N182 K187 G188F181-C185 PolarHBondContact O-N 2.96Å; F181-C185 PolarHBondContact O-SG 2.92Å; F181-C185 VanDerWaalsContact O-SG 3.35Å; N182-C185 PolarHBondContact O-N 3.49Å; C185-K187 VanDerWaalsContact C-N 3.31Å; C185-K187 PolarHBondContact O-N 3.22Å; C185-G188 PolarHBondContact O-N 2.91Å
186A90.3Very high93.3Very high91 Ų9158.5 Ų58.575%0.75234%0.34SS*.Hα-helixtrans-62.2-36.2177.700000112.8N182 E183 G188N182-A186 WeakPolarHBondContact O-CB 3.24Å; N182-A186 PolarHBondContact O-N 3.49Å; E183-A186 PolarHBondContact O-N 2.86Å; A186-G188 PolarHBondContact O-N 2.8Å
187K89.4Confident93.2Very high140 Ų14057.7 Ų57.761%0.60934%0.34SS*.THydrogen-bonded Turntrans-73.6-2.3173-71.3172.9-177.4171.70113.7E183 C185 Q189E183-K187 WeakPolarHBondContact O-CB 3.34Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.34Å; E183-K187 PolarHBondContact O-N 3.2Å; C185-K187 VanDerWaalsContact C-N 3.31Å; C185-K187 PolarHBondContact O-N 3.22Å; K187-Q189 HydrophobicContact CB-CG 4.05Å; K187-Q189 PolarHBondContact O-N 3.42Å
188G87.4Confident93.1Very high9 Ų961.3 Ų61.39%0.09335%0.35CS..THydrogen-bonded Turntrans68.512.9-175.400000114.4M184 C185 A186 L190 L200M184-G188 PolarHBondContact O-N 2.83Å; C185-G188 PolarHBondContact O-N 2.91Å; A186-G188 PolarHBondContact O-N 2.8Å; G188-L190 VanDerWaalsContact C-N 3.35Å; G188-L200 WeakPolarHBondContact O-CD1 3.37Å
189Q90.6Very high93Very high65 Ų6562.2 Ų62.230%0.30435%0.354SS..SBendtrans-76.6-26.4177.2-65.7-176.8-3500112M184 K187 Y199 L200M184-Q189 HydrophobicContact CB-CB 4.41Å; M184-Q189 HydrophobicContact CE-CB 4.46Å; M184-Q189 WeakPolarHBondContact O-CB 3.34Å; M184-Q189 PolarHBondContact O-N 2.95Å; K187-Q189 HydrophobicContact CB-CG 4.05Å; K187-Q189 PolarHBondContact O-N 3.42Å; Q189-Y199 HydrophobicContact CB-CE2 4.34Å; Q189-Y199 WeakPolarHBondContact O-CD2 3.33Å; Q189-L200 PolarHBondContact O-N 3.47Å
190L93.5Very high92.7Very high6 Ų657.7 Ų57.73%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-118.5129.9174.6-62.7177.9000109.5W176 F181 M184 G188 V197 Y199W176-L190 HydrophobicContact CD2-CD1 4.41Å; W176-L190 HydrophobicContact CD2-CD2 4.48Å; W176-L190 HydrophobicContact CG-CD1 3.96Å; W176-L190 HydrophobicContact CZ2-CD2 4.04Å; F181-L190 HydrophobicContact CD2-CD1 3.88Å; F181-L190 HydrophobicContact CE2-CD1 4.01Å; M184-L190 HydrophobicContact CB-CD1 3.61Å; M184-L190 HydrophobicContact CB-CG 3.81Å; M184-L190 HydrophobicContact CE-CD1 4.17Å; M184-L190 HydrophobicContact CE-CD2 4.23Å; M184-L190 HydrophobicContact CE-CG 4.08Å; M184-L190 HydrophobicContact CG-CD1 4.47Å; M184-L190 PolarHBondContact O-N 3.02Å; M184-L190 HydrophobicContact SD-CD1 4.09Å; G188-L190 VanDerWaalsContact C-N 3.35Å; L190-V197 HydrophobicContact CB-CB 4.4Å; L190-V197 HydrophobicContact CB-CG1 4.47Å; L190-V197 HydrophobicContact CD1-CG2 4.46Å; L190-V197 HydrophobicContact CD2-CB 4.33Å; L190-V197 HydrophobicContact CD2-CG2 3.96Å; L190-Y199 HydrophobicContact CD2-CD2 3.83Å; L190-Y199 HydrophobicContact CD2-CG 4.42Å
191V91.8Very high92.4Very high59 Ų5959.3 Ų59.336%0.35834%0.335SS..EExtended strand (participates in β ladder)trans-117.9137.4172.5175.10000108D193 V197 K198 L200V191-D193 PolarHBondContact O-N 3.03Å; V191-V197 CarbonylContact O-C 3.5Å; V191-V197 VanDerWaalsContact O-CA 3.3Å; V191-V197 WeakPolarHBondContact O-CA 3.32Å; V191-K198 PolarHBondContact N-O 2.69Å; V191-K198 PolarHBondContact O-N 3.01Å; V191-L200 HydrophobicContact CB-CD1 4.46Å; V191-L200 HydrophobicContact CG2-CD1 3.46Å; V191-L200 VanDerWaalsContact CG2-CD1 3.46Å; V191-L200 HydrophobicContact CG2-CG 4.33Å
192S93.1Very high92Very high44 Ų4463.9 Ų63.931%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-59132.3174.2169.60000111N42 G194N42-S192 WeakPolarHBondContact OD1-CB 3.34Å; N42-S192 PolarHBondContact OD1-OG 2.74Å; S192-G194 PolarHBondContact OG-N 3.09Å
193D93.3Very high91.7Very high114 Ų11467.4 Ų67.461%0.6138%0.38SS*.EExtended strand (participates in β ladder)trans-127.857.2171.7-171.524000108.8V191 V195 G196 K198V191-D193 PolarHBondContact O-N 3.03Å; D193-V195 PolarHBondContact O-N 3.48Å; D193-V195 VanDerWaalsContact O-N 3.16Å; D193-G196 CarbonylContact C-O 3.49Å; D193-G196 PolarHBondContact N-O 2.99Å; D193-G196 PolarHBondContact O-N 3.28Å; D193-K198 HydrophobicContact CB-CB 4.32Å
194G94.4Very high91.5Very high39 Ų3963.9 Ų63.940%0.40238%0.376SS..THydrogen-bonded Turntrans70.3-107-177.900000112.8N42 V43 S192N42-G194 CarbonylContact C-O 3.45Å; N42-G194 WeakPolarHBondContact CA-O 3.41Å; N42-G194 PolarHBondContact OD1-O 3.3Å; V43-G194 PolarHBondContact N-O 3.06Å; S192-G194 PolarHBondContact OG-N 3.09Å
195V94.9Very high91.5Very high33 Ų3366.7 Ų66.720%0.240%0.396CS..THydrogen-bonded Turntrans-73.6-32.6180174.10000111.2K39 R139 F173 D193K39-V195 WeakPolarHBondContact O-CG2 3.38Å; R139-V195 PolarHBondContact NH1-O 3.14Å; F173-V195 HydrophobicContact CD2-CG1 4.02Å; D193-V195 PolarHBondContact O-N 3.48Å; D193-V195 VanDerWaalsContact O-N 3.16Å
196G94.3Very high91.4Very high28 Ų2870.2 Ų70.229%0.28941%0.412SS..EExtended strand (participates in β ladder)trans-104.9-169.2-178.300000112.4D193D193-G196 CarbonylContact C-O 3.49Å; D193-G196 PolarHBondContact N-O 2.99Å; D193-G196 PolarHBondContact O-N 3.28Å
197V95.4Very high91.5Very high30 Ų3071 Ų7118%0.18240%0.4CS..EExtended strand (participates in β ladder)trans-125.6142.2169.3-73.30000109.1V43 T174 F181 L190 V191V43-V197 HydrophobicContact CB-CG1 4.37Å; V43-V197 HydrophobicContact CG1-CG1 3.68Å; V43-V197 HydrophobicContact CG2-CG1 4.04Å; T174-V197 HydrophobicContact CG2-CG1 4.45Å; T174-V197 HydrophobicContact CG2-CG2 3.92Å; F181-V197 HydrophobicContact CE2-CG1 3.7Å; F181-V197 HydrophobicContact CE2-CG2 4.4Å; F181-V197 HydrophobicContact CZ-CG1 3.75Å; L190-V197 HydrophobicContact CB-CB 4.4Å; L190-V197 HydrophobicContact CB-CG1 4.47Å; L190-V197 HydrophobicContact CD1-CG2 4.46Å; L190-V197 HydrophobicContact CD2-CB 4.33Å; L190-V197 HydrophobicContact CD2-CG2 3.96Å; V191-V197 CarbonylContact O-C 3.5Å; V191-V197 VanDerWaalsContact O-CA 3.3Å; V191-V197 WeakPolarHBondContact O-CA 3.32Å
198K93.3Very high91.4Very high127 Ų12770 Ų7055%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-86122.5164.1-173.5171.9-178.51770108.2V191 D193 L200V191-K198 PolarHBondContact N-O 2.69Å; V191-K198 PolarHBondContact O-N 3.01Å; D193-K198 HydrophobicContact CB-CB 4.32Å; K198-L200 HydrophobicContact CD-CD2 4.42Å; K198-L200 HydrophobicContact CG-CD2 4.41Å
199Y92.6Very high91.5Very high96 Ų9674.2 Ų74.238%0.37641%0.41SS..EExtended strand (participates in β ladder)trans-82.6130169.7177.4-120.1000109.1W176 M184 Q189 L190 P201W176-Y199 HydrophobicContact CH2-CD2 4.12Å; W176-Y199 HydrophobicContact CH2-CE2 4.24Å; W176-Y199 HydrophobicContact CH2-CG 4.35Å; W176-Y199 HydrophobicContact CZ2-CD1 4.46Å; W176-Y199 AromaticContact CZ2-CD2 3.76Å; W176-Y199 HydrophobicContact CZ2-CD2 3.76Å; W176-Y199 HydrophobicContact CZ2-CE2 4.34Å; W176-Y199 AromaticContact CZ2-CG 3.83Å; W176-Y199 HydrophobicContact CZ2-CG 3.83Å; M184-Y199 HydrophobicContact CE-CD2 4.28Å; M184-Y199 HydrophobicContact CE-CE2 4.04Å; Q189-Y199 HydrophobicContact CB-CE2 4.34Å; Q189-Y199 WeakPolarHBondContact O-CD2 3.33Å; L190-Y199 HydrophobicContact CD2-CD2 3.83Å; L190-Y199 HydrophobicContact CD2-CG 4.42Å; Y199-P201 HydrophobicContact CD1-CB 4.22Å; Y199-P201 HydrophobicContact CE1-CB 3.74Å; Y199-P201 WeakPolarHBondContact O-CD 3.16Å
200L89.3Confident91.3Very high28 Ų2876.4 Ų76.415%0.14742%0.419CS..  trans-102.394.4175.9-64174.4000108G188 Q189 V191 K198 T212G188-L200 WeakPolarHBondContact O-CD1 3.37Å; Q189-L200 PolarHBondContact O-N 3.47Å; V191-L200 HydrophobicContact CB-CD1 4.46Å; V191-L200 HydrophobicContact CG2-CD1 3.46Å; V191-L200 VanDerWaalsContact CG2-CD1 3.46Å; V191-L200 HydrophobicContact CG2-CG 4.33Å; K198-L200 HydrophobicContact CD-CD2 4.42Å; K198-L200 HydrophobicContact CG-CD2 4.41Å; L200-T212 HydrophobicContact CB-CG2 4.44Å; L200-T212 HydrophobicContact CD1-CG2 3.57Å; L200-T212 HydrophobicContact CD2-CG2 4.24Å; L200-T212 HydrophobicContact CG-CG2 4.3Å
201P88.3Confident91Very high63 Ų6380.1 Ų80.141%0.40944%0.436SS..  trans-71.2155.4179.730.9-35.8000111.1Y199 H203Y199-P201 HydrophobicContact CD1-CB 4.22Å; Y199-P201 HydrophobicContact CE1-CB 3.74Å; Y199-P201 WeakPolarHBondContact O-CD 3.16Å; P201-H203 WeakPolarHBondContact CG-O 3.31Å; P201-H203 PolarHBondContact O-N 3.09Å
202S86.8Confident90.7Very high97 Ų9778.2 Ų78.268%0.67843%0.425SS*.SBendtrans-73.3-9.4167.4-53.90000113.1
203H87.4Confident90.3Very high171 Ų17180 Ų8079%0.79243%0.428SS*.  trans-103.4123.9-178.8-177.9-83.7000110.9P201P201-H203 WeakPolarHBondContact CG-O 3.31Å; P201-H203 PolarHBondContact O-N 3.09Å
204G90.2Very high89.9Confident44 Ų4475.5 Ų75.545%0.45441%0.407SS..SBendtrans161.6-176.4179.900000110.6L206G204-L206 PolarHBondContact O-N 3.41Å
205P93.1Very high89.4Confident81 Ų8181.1 Ų81.153%0.52642%0.416SS..  trans-54.6125.4172.3-23.734.2000110.6E207 Q208 W209P205-E207 PolarHBondContact O-N 2.89Å; P205-E207 VanDerWaalsContact O-N 3.11Å; P205-Q208 HydrophobicContact CB-CG 4.37Å; P205-Q208 PolarHBondContact O-N 2.99Å; P205-W209 PolarHBondContact O-N 3.3Å
206L90.7Very high88.7Confident110 Ų11083.3 Ų83.358%0.57643%0.426SS*.Hα-helixtrans-56-34.4-174.6-178.262.8000112.2G204 Q208 W209 K210G204-L206 PolarHBondContact O-N 3.41Å; L206-Q208 PolarHBondContact O-N 3.07Å; L206-W209 HydrophobicContact CD1-CE3 4Å; L206-W209 WeakPolarHBondContact O-CB 3.3Å; L206-W209 PolarHBondContact O-N 3.32Å; L206-K210 HydrophobicContact CG-CD 4.48Å; L206-K210 HydrophobicContact CG-CG 4.45Å; L206-K210 WeakPolarHBondContact O-CG 3.39Å; L206-K210 PolarHBondContact O-N 3.12Å
207E92.2Very high88.2Confident107 Ų10785.3 Ų85.350%0.544%0.44SS..Hα-helixtrans-60.4-44.6177.5-165.456.2-146.500112.4P205 W209 K210 Q211P205-E207 PolarHBondContact O-N 2.89Å; P205-E207 VanDerWaalsContact O-N 3.11Å; E207-W209 VanDerWaalsContact C-N 3.32Å; E207-W209 PolarHBondContact O-N 2.94Å; E207-K210 PolarHBondContact O-N 3.39Å; E207-Q211 WeakPolarHBondContact O-CG 3.3Å; E207-Q211 PolarHBondContact O-N 2.73Å
208Q87.7Confident87.6Confident118 Ų11887 Ų8755%0.55146%0.463SS*.Hα-helixtrans-67.4-35.1176.2-69.1-176.9-1.700112P205 L206 T212P205-Q208 HydrophobicContact CB-CG 4.37Å; P205-Q208 PolarHBondContact O-N 2.99Å; L206-Q208 PolarHBondContact O-N 3.07Å; Q208-T212 WeakPolarHBondContact O-CB 3.48Å; Q208-T212 PolarHBondContact O-N 3.18Å; Q208-T212 PolarHBondContact O-OG1 3Å
209W87.8Confident86.9Confident99 Ų9986.2 Ų86.238%0.37546%0.464SS..Hα-helixtrans-64.6-47.4174-177.788000110.9P205 L206 E207 Q211 T212 Q213P205-W209 PolarHBondContact O-N 3.3Å; L206-W209 HydrophobicContact CD1-CE3 4Å; L206-W209 WeakPolarHBondContact O-CB 3.3Å; L206-W209 PolarHBondContact O-N 3.32Å; E207-W209 VanDerWaalsContact C-N 3.32Å; E207-W209 PolarHBondContact O-N 2.94Å; W209-Q211 PolarHBondContact O-N 3.39Å; W209-T212 WeakPolarHBondContact O-CB 3.18Å; W209-T212 PolarHBondContact O-N 3.32Å; W209-T212 VanDerWaalsContact O-N 3.09Å; W209-Q213 HydrophobicContact CD2-CG 3.77Å; W209-Q213 HydrophobicContact CE3-CG 3.93Å; W209-Q213 HydrophobicContact CH2-CG 3.68Å; W209-Q213 HydrophobicContact CZ2-CG 3.49Å; W209-Q213 VanDerWaalsContact CZ2-CG 3.49Å; W209-Q213 HydrophobicContact CZ3-CG 3.89Å; W209-Q213 WeakPolarHBondContact O-CG 3.24Å; W209-Q213 PolarHBondContact O-N 2.79Å
210K88.2Confident85.6Confident110 Ų11088.5 Ų88.548%0.47849%0.488SS..Hα-helixtrans-56.9-48.2175.8-75.1178.7176.2-178.30111.9L206 E207 T212 Q213 A214L206-K210 HydrophobicContact CG-CD 4.48Å; L206-K210 HydrophobicContact CG-CG 4.45Å; L206-K210 WeakPolarHBondContact O-CG 3.39Å; L206-K210 PolarHBondContact O-N 3.12Å; E207-K210 PolarHBondContact O-N 3.39Å; K210-T212 PolarHBondContact O-N 3.38Å; K210-Q213 PolarHBondContact O-N 2.98Å; K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.07Å
211Q87Confident84.1Confident84 Ų8493.8 Ų93.839%0.39352%0.521SS..Hα-helixtrans-59.8-36.7176.3-72.6174.47.800112.6E207 W209 R215 V221E207-Q211 WeakPolarHBondContact O-CG 3.3Å; E207-Q211 PolarHBondContact O-N 2.73Å; W209-Q211 PolarHBondContact O-N 3.39Å; Q211-R215 WeakPolarHBondContact O-CB 3.49Å; Q211-R215 PolarHBondContact O-N 3.04Å; Q211-R215 VanDerWaalsContact O-N 3.08Å; Q211-V221 HydrophobicContact CG-CG1 4.31Å
212T84.1Confident83.8Confident20 Ų2095.4 Ų95.412%0.12353%0.527CS..Hα-helixtrans-70.7-44177.7-59.10000111.3L200 Q208 W209 K210 R215 L216L200-T212 HydrophobicContact CB-CG2 4.44Å; L200-T212 HydrophobicContact CD1-CG2 3.57Å; L200-T212 HydrophobicContact CD2-CG2 4.24Å; L200-T212 HydrophobicContact CG-CG2 4.3Å; Q208-T212 WeakPolarHBondContact O-CB 3.48Å; Q208-T212 PolarHBondContact O-N 3.18Å; Q208-T212 PolarHBondContact O-OG1 3Å; W209-T212 WeakPolarHBondContact O-CB 3.18Å; W209-T212 PolarHBondContact O-N 3.32Å; W209-T212 VanDerWaalsContact O-N 3.09Å; K210-T212 PolarHBondContact O-N 3.38Å; T212-R215 PolarHBondContact O-N 3.45Å; T212-L216 HydrophobicContact CG2-CD1 4.2Å; T212-L216 VanDerWaalsContact O-CG 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.28Å; T212-L216 PolarHBondContact O-N 2.9Å
213Q84.6Confident83.7Confident81 Ų8195.3 Ų95.338%0.37952%0.519SS..Hα-helixtrans-64.1-44.3176.5-67.7-54-43.200112.1W209 K210 R215 L216 A217W209-Q213 HydrophobicContact CD2-CG 3.77Å; W209-Q213 HydrophobicContact CE3-CG 3.93Å; W209-Q213 HydrophobicContact CH2-CG 3.68Å; W209-Q213 HydrophobicContact CZ2-CG 3.49Å; W209-Q213 VanDerWaalsContact CZ2-CG 3.49Å; W209-Q213 HydrophobicContact CZ3-CG 3.89Å; W209-Q213 WeakPolarHBondContact O-CG 3.24Å; W209-Q213 PolarHBondContact O-N 2.79Å; K210-Q213 PolarHBondContact O-N 2.98Å; Q213-R215 PolarHBondContact O-N 3.47Å; Q213-L216 PolarHBondContact O-N 3.04Å; Q213-A217 WeakPolarHBondContact O-CB 2.96Å; Q213-A217 PolarHBondContact O-N 3.28Å
214A86.1Confident83.5Confident20 Ų2091.1 Ų91.117%0.16550%0.504CS..Hα-helixtrans-62.5-42.5177.200000111.7K210 L216 A217 G218 I219 V221K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.07Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.18Å; A214-A217 CarbonylContact O-C 3.58Å; A214-A217 PolarHBondContact O-N 3.27Å; A214-G218 PolarHBondContact O-N 2.98Å; A214-G218 VanDerWaalsContact O-N 3.12Å; A214-I219 CarbonylContact C-O 3.55Å; A214-I219 HydrophobicContact CB-CB 4.38Å; A214-I219 PolarHBondContact O-N 3.03Å; A214-V221 HydrophobicContact CB-CG2 3.15Å
215R83.7Confident83.1Confident157 Ų15793.8 Ų93.859%0.59251%0.507SS*.Hα-helixtrans-59.9-42.9172.9-166.6-165.5-39.113617.7112.4Q211 T212 Q213 A217 G218Q211-R215 WeakPolarHBondContact O-CB 3.49Å; Q211-R215 PolarHBondContact O-N 3.04Å; Q211-R215 VanDerWaalsContact O-N 3.08Å; T212-R215 PolarHBondContact O-N 3.45Å; Q213-R215 PolarHBondContact O-N 3.47Å; R215-A217 VanDerWaalsContact C-N 3.32Å; R215-G218 PolarHBondContact O-N 3.07Å
216L80.8Confident82.4Confident79 Ų7994.6 Ų94.641%0.41451%0.506SS..Hα-helixtrans-66.5-33.9177-72.3170.3000112.1T212 Q213 A214 G218T212-L216 HydrophobicContact CG2-CD1 4.2Å; T212-L216 VanDerWaalsContact O-CG 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.28Å; T212-L216 PolarHBondContact O-N 2.9Å; Q213-L216 PolarHBondContact O-N 3.04Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-L216 PolarHBondContact O-N 3.18Å; L216-G218 PolarHBondContact O-N 3.12Å
217A83.5Confident81.9Confident70 Ų7093.6 Ų93.658%0.57950%0.501SS*.THydrogen-bonded Turntrans-78.9-2.8175.900000113.8Q213 A214 R215 I219Q213-A217 WeakPolarHBondContact O-CB 2.96Å; Q213-A217 PolarHBondContact O-N 3.28Å; A214-A217 CarbonylContact O-C 3.58Å; A214-A217 PolarHBondContact O-N 3.27Å; R215-A217 VanDerWaalsContact C-N 3.32Å; A217-I219 HydrophobicContact CB-CD1 4.02Å; A217-I219 HydrophobicContact CB-CG1 4.1Å; A217-I219 PolarHBondContact O-N 3.12Å
218G81.6Confident81.2Confident65 Ų6592.6 Ų92.667%0.6750%0.501SS*.THydrogen-bonded Turntrans72.814.3-176.300000114.2A214 R215 L216A214-G218 PolarHBondContact O-N 2.98Å; A214-G218 VanDerWaalsContact O-N 3.12Å; R215-G218 PolarHBondContact O-N 3.07Å; L216-G218 PolarHBondContact O-N 3.12Å
219I80.2Confident80.7Confident111 Ų11190.7 Ų90.757%0.56950%0.497SS*.  trans-89122.8177.9-57.6171.4000107.7A214 A217 V221A214-I219 CarbonylContact C-O 3.55Å; A214-I219 HydrophobicContact CB-CB 4.38Å; A214-I219 PolarHBondContact O-N 3.03Å; A217-I219 HydrophobicContact CB-CD1 4.02Å; A217-I219 HydrophobicContact CB-CG1 4.1Å; A217-I219 PolarHBondContact O-N 3.12Å; I219-V221 PolarHBondContact O-N 3.42Å
220T65.4Low80.1Confident143 Ų14390 Ų9088%0.87751%0.507SS*.  trans-68.8120.3173.7-300000108.4
221V55.8Low79.3Confident140 Ų14088.2 Ų88.285%0.84851%0.51SS*.  trans-89.50174-168.60000109.5Q211 A214 I219Q211-V221 HydrophobicContact CG-CG1 4.31Å; A214-V221 HydrophobicContact CB-CG2 3.15Å; I219-V221 PolarHBondContact O-N 3.42Å

Retrieved 221 of 221 residues in 92.3 ms (Link to these results)

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