A0A087XS35_POEFO Loading...

N-acetyltaurine hydrolase

AlphaFold DB , UniProt , Accession A0A087XS35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M56.3Low90.3Very high220 Ų22057.5 Ų57.5100%1.08431%0.308SS*.  0138.20-65.2178.9-144.100108
2S75Confident91Very high66 Ų6660.1 Ų60.146%0.46232%0.321SS..  trans-55.7149.5174171.60000110.2L4 S5S2-L4 PolarHBondContact O-N 3.25Å; S2-L4 WeakPolarHBondContact OG-CB 3.25Å; S2-L4 WeakPolarHBondContact OG-CG 3.34Å; S2-L4 PolarHBondContact OG-N 2.56Å; S2-S5 PolarHBondContact O-N 3.03Å; S2-S5 VanDerWaalsContact O-N 3.09Å
3K84.1Confident91.5Very high189 Ų18957.1 Ų57.182%0.82231%0.313SS*.THydrogen-bonded Turntrans-58.3-15.4171.4-71.1-174.7179-179.40112.8L14K3-L14 WeakPolarHBondContact O-CD1 3.5Å
4L91.4Very high92Very high4 Ų457.6 Ų57.62%0.02132%0.315CS..THydrogen-bonded Turntrans-78.8-30.2177.6-58.5179.3000113.1S2 G6 K7 L14 V153 L154 F348S2-L4 PolarHBondContact O-N 3.25Å; S2-L4 WeakPolarHBondContact OG-CB 3.25Å; S2-L4 WeakPolarHBondContact OG-CG 3.34Å; S2-L4 PolarHBondContact OG-N 2.56Å; L4-G6 PolarHBondContact O-N 3.4Å; L4-K7 WeakPolarHBondContact O-CA 3.37Å; L4-K7 WeakPolarHBondContact O-CB 3.26Å; L4-K7 PolarHBondContact O-N 3.37Å; L4-L14 HydrophobicContact CD2-CD1 4.44Å; L4-L14 HydrophobicContact CD2-CD2 3.55Å; L4-V153 HydrophobicContact CD1-CG1 4.09Å; L4-L154 HydrophobicContact CD1-CD2 3.69Å; L4-F348 HydrophobicContact CB-CB 4.06Å; L4-F348 HydrophobicContact CB-CD1 3.77Å; L4-F348 HydrophobicContact CB-CE1 4.38Å; L4-F348 HydrophobicContact CB-CG 3.95Å; L4-F348 HydrophobicContact CD1-CD1 3.83Å; L4-F348 HydrophobicContact CD1-CE1 3.65Å; L4-F348 HydrophobicContact CD1-CZ 4.4Å; L4-F348 HydrophobicContact CG-CD1 4.38Å; L4-F348 WeakPolarHBondContact O-CB 3.42Å
5S95.6Very high92.5Very high34 Ų3454.8 Ų54.824%0.23830%0.3CS..THydrogen-bonded Turntrans-56.8128.8-174176.70000111S2 K7 K349S2-S5 PolarHBondContact O-N 3.03Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S5-K7 VanDerWaalsContact C-N 3.26Å; S5-K7 PolarHBondContact O-N 3.47Å; S5-K349 PolarHBondContact OG-OXT 3.22Å
6G97.4Very high92.9Very high39 Ų3955.6 Ų55.640%0.40230%0.304SS..THydrogen-bonded Turntrans74.36.8-176.400000115.4L4 P17 F348L4-G6 PolarHBondContact O-N 3.4Å; G6-P17 WeakPolarHBondContact O-CD 3.33Å; G6-P17 WeakPolarHBondContact O-CG 3.37Å; G6-F348 PolarHBondContact N-O 3.34Å
7K98.3Very high93.2Very high71 Ų7153.4 Ų53.431%0.30929%0.293SS..  trans-119.6168.9179.4-59.3-65.9-178.5173.20111.5L4 S5 L14 D16 F348L4-K7 WeakPolarHBondContact O-CA 3.37Å; L4-K7 WeakPolarHBondContact O-CB 3.26Å; L4-K7 PolarHBondContact O-N 3.37Å; S5-K7 VanDerWaalsContact C-N 3.26Å; S5-K7 PolarHBondContact O-N 3.47Å; K7-L14 HydrophobicContact CB-CB 4.41Å; K7-L14 HydrophobicContact CB-CD2 3.97Å; K7-D16 IonicContact NZ-OD1 3.97Å; K7-D16 PolarHBondContact NZ-OD1 2.94Å; K7-D16 IonicContact NZ-OD2 2.7Å; K7-F348 PolarHBondContact O-N 2.91Å
8V98.7Very high93.5Very high0 Ų057.2 Ų57.20%031%0.313CS..EExtended strand (participates in β ladder)trans-117.9133.6171.1-1770000108.6L14 V15 P17 L20 I122 L346V8-L14 WeakPolarHBondContact O-CA 3.44Å; V8-V15 HydrophobicContact CB-CG2 4.05Å; V8-V15 PolarHBondContact N-O 2.99Å; V8-V15 VanDerWaalsContact N-O 3.13Å; V8-V15 PolarHBondContact O-N 3.32Å; V8-P17 HydrophobicContact CG2-CB 4.17Å; V8-P17 HydrophobicContact CG2-CG 4.11Å; V8-L20 HydrophobicContact CB-CD2 4.23Å; V8-L20 HydrophobicContact CG1-CD1 4.34Å; V8-L20 HydrophobicContact CG1-CD2 3.95Å; V8-L20 HydrophobicContact CG2-CD1 4.02Å; V8-L20 HydrophobicContact CG2-CD2 4.4Å; V8-L20 HydrophobicContact CG2-CG 4.39Å; V8-I122 HydrophobicContact CG1-CD1 3.49Å; V8-I122 VanDerWaalsContact CG1-CD1 3.49Å; V8-I122 HydrophobicContact CG1-CG1 4.24Å; V8-L346 HydrophobicContact CG1-CB 4.19Å; V8-L346 HydrophobicContact CG2-CB 4.29Å
9Q98.7Very high93.7Very high4 Ų459.4 Ų59.42%0.01932%0.321CS..EExtended strand (participates in β ladder)trans-94.7116.2179.5175.563.658.700110L14 R163 G165 F348Q9-L14 HydrophobicContact CB-CD2 4.02Å; Q9-R163 HydrophobicContact CG-CB 3.99Å; Q9-R163 VanDerWaalsContact OE1-CZ 3.22Å; Q9-G165 WeakPolarHBondContact O-CA 3.4Å; Q9-F348 HydrophobicContact CB-CE2 4.31Å
10T98.9Very high94Very high2 Ų256.5 Ų56.51%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-104.5170.1172.974.30000110.4L12 G13 V15 H120 I121 I122T10-L12 PolarHBondContact O-N 2.58Å; T10-L12 VanDerWaalsContact O-N 3.07Å; T10-L12 PolarHBondContact OG1-N 3.08Å; T10-G13 PolarHBondContact N-O 2.77Å; T10-G13 PolarHBondContact O-N 3.07Å; T10-G13 PolarHBondContact OG1-N 3.21Å; T10-G13 PolarHBondContact OG1-O 2.87Å; T10-V15 HydrophobicContact CG2-CG1 4.08Å; T10-V15 HydrophobicContact CG2-CG2 3.79Å; T10-H120 HydrophobicContact CG2-CB 4.14Å; T10-I121 CarbonylContact C-O 3.52Å; T10-I121 VanDerWaalsContact CA-O 3.29Å; T10-I121 WeakPolarHBondContact CA-O 3.26Å; T10-I121 WeakPolarHBondContact CB-O 3.44Å; T10-I122 HydrophobicContact CG2-CG1 4.29Å
11V98.8Very high94.2Very high4 Ų455.2 Ų55.22%0.02431%0.306CS..THydrogen-bonded Turntrans-63.2-13.6173.7-60.10000114L110 R111 A114 I121 A123 V162V11-L110 HydrophobicContact CG1-CB 4.19Å; V11-R111 PolarHBondContact O-NE 3.27Å; V11-A114 HydrophobicContact CG2-CB 3.68Å; V11-I121 HydrophobicContact CG1-CB 4.49Å; V11-I121 HydrophobicContact CG1-CG2 4.19Å; V11-I121 HydrophobicContact CG2-CB 3.93Å; V11-I121 HydrophobicContact CG2-CG2 4.45Å; V11-I121 PolarHBondContact N-O 3.18Å; V11-A123 HydrophobicContact CG1-CB 3.78Å; V11-V162 HydrophobicContact CB-CG1 3.94Å; V11-V162 HydrophobicContact CG1-CG1 3.85Å
12L98.7Very high96.2Very high88 Ų8848.8 Ų48.846%0.46127%0.269SS..THydrogen-bonded Turntrans-101.3-0.9175-59.7-177.3000113.8T10 R111 A114 K115T10-L12 PolarHBondContact O-N 2.58Å; T10-L12 VanDerWaalsContact O-N 3.07Å; T10-L12 PolarHBondContact OG1-N 3.08Å; L12-R111 HydrophobicContact CD2-CG 3.77Å; L12-A114 HydrophobicContact CD1-CB 3.85Å; L12-A114 HydrophobicContact CD2-CB 4.41Å; L12-A114 HydrophobicContact CG-CB 3.96Å; L12-K115 HydrophobicContact CD1-CG 4.24Å; L12-K115 HydrophobicContact CD2-CD 4.39Å; L12-K115 HydrophobicContact CD2-CG 3.75Å
13G98.3Very high97.4Very high21 Ų2145.7 Ų45.722%0.21625%0.247CC..EExtended strand (participates in β ladder)trans119.2-168.5-178.400000113.5T10T10-G13 PolarHBondContact N-O 2.77Å; T10-G13 PolarHBondContact O-N 3.07Å; T10-G13 PolarHBondContact OG1-N 3.21Å; T10-G13 PolarHBondContact OG1-O 2.87Å
14L98.4Very high98.1Very high64 Ų6436.7 Ų36.734%0.33521%0.208SC..EExtended strand (participates in β ladder)trans-76.7137.7-178.2-64.6170.5000111.2K3 L4 K7 V8 Q9K3-L14 WeakPolarHBondContact O-CD1 3.5Å; L4-L14 HydrophobicContact CD2-CD1 4.44Å; L4-L14 HydrophobicContact CD2-CD2 3.55Å; K7-L14 HydrophobicContact CB-CB 4.41Å; K7-L14 HydrophobicContact CB-CD2 3.97Å; V8-L14 WeakPolarHBondContact O-CA 3.44Å; Q9-L14 HydrophobicContact CB-CD2 4.02Å
15V98.6Very high98.4Very high16 Ų1636.6 Ų36.610%0.09721%0.208CC..EExtended strand (participates in β ladder)trans-126.5158172.2-59.10000110.3V8 T10 Q19 L20V8-V15 HydrophobicContact CB-CG2 4.05Å; V8-V15 PolarHBondContact N-O 2.99Å; V8-V15 VanDerWaalsContact N-O 3.13Å; V8-V15 PolarHBondContact O-N 3.32Å; T10-V15 HydrophobicContact CG2-CG1 4.08Å; T10-V15 HydrophobicContact CG2-CG2 3.79Å; V15-Q19 HydrophobicContact CB-CB 4.49Å; V15-L20 HydrophobicContact CG2-CD2 3.97Å
16D98.5Very high98.6Very high68 Ų6835 Ų3536%0.36420%0.196SC..  trans-68.7140167.8-69.6-57.7000109.9K7 D18 Q19K7-D16 IonicContact NZ-OD1 3.97Å; K7-D16 PolarHBondContact NZ-OD1 2.94Å; K7-D16 IonicContact NZ-OD2 2.7Å; D16-D18 PolarHBondContact O-N 3.13Å; D16-D18 VanDerWaalsContact O-N 3.08Å; D16-Q19 HydrophobicContact CB-CG 4.14Å; D16-Q19 WeakPolarHBondContact O-CB 3.11Å; D16-Q19 PolarHBondContact O-N 3.38Å; D16-Q19 PolarHBondContact OD2-NE2 2.87Å
17P98.4Very high98.6Very high17 Ų1733.1 Ų33.111%0.1118%0.177CC..G310 helixtrans-56.2-28.2179.6-24.632.3000114.1G6 V8 Q19 L20 K343 T347G6-P17 WeakPolarHBondContact O-CD 3.33Å; G6-P17 WeakPolarHBondContact O-CG 3.37Å; V8-P17 HydrophobicContact CG2-CB 4.17Å; V8-P17 HydrophobicContact CG2-CG 4.11Å; P17-Q19 PolarHBondContact O-N 2.89Å; P17-L20 WeakPolarHBondContact O-CG 3.35Å; P17-L20 PolarHBondContact O-N 3.09Å; P17-K343 HydrophobicContact CB-CD 4.29Å; P17-K343 HydrophobicContact CB-CG 3.65Å; P17-T347 WeakPolarHBondContact CB-OG1 3.35Å; P17-T347 HydrophobicContact CG-CG2 3.84Å; P17-T347 VanDerWaalsContact CG-OG1 3.26Å; P17-T347 WeakPolarHBondContact CG-OG1 3.48Å
18D98.3Very high98.7Very high123 Ų12329.8 Ų29.866%0.65816%0.163SC*.G310 helixtrans-67.1-16.3176.1-69.6-43.6000113.9D16 K343D16-D18 PolarHBondContact O-N 3.13Å; D16-D18 VanDerWaalsContact O-N 3.08Å; D18-K343 VanDerWaalsContact OD1-CE 3.25Å; D18-K343 WeakPolarHBondContact OD1-CE 3.49Å; D18-K343 IonicContact OD1-NZ 2.81Å; D18-K343 PolarHBondContact OD1-NZ 3.03Å
19Q98.6Very high98.6Very high98 Ų9829.8 Ų29.846%0.45816%0.163SC..G310 helixtrans-83.2-12.6179.8-60.4178.625.400112.8V15 D16 P17 G21 H120V15-Q19 HydrophobicContact CB-CB 4.49Å; D16-Q19 HydrophobicContact CB-CG 4.14Å; D16-Q19 WeakPolarHBondContact O-CB 3.11Å; D16-Q19 PolarHBondContact O-N 3.38Å; D16-Q19 PolarHBondContact OD2-NE2 2.87Å; P17-Q19 PolarHBondContact O-N 2.89Å; Q19-G21 VanDerWaalsContact C-N 3.34Å; Q19-G21 PolarHBondContact O-N 2.73Å; Q19-H120 PolarHBondContact O-NE2 3.29Å
20L98.7Very high98.4Very high1 Ų129.8 Ų29.81%0.00516%0.163CC..  trans-64.2-36.6-174.5-64.9-169.4000113.3V8 V15 P17 G93 T94 I122 L346V8-L20 HydrophobicContact CB-CD2 4.23Å; V8-L20 HydrophobicContact CG1-CD1 4.34Å; V8-L20 HydrophobicContact CG1-CD2 3.95Å; V8-L20 HydrophobicContact CG2-CD1 4.02Å; V8-L20 HydrophobicContact CG2-CD2 4.4Å; V8-L20 HydrophobicContact CG2-CG 4.39Å; V15-L20 HydrophobicContact CG2-CD2 3.97Å; P17-L20 WeakPolarHBondContact O-CG 3.35Å; P17-L20 PolarHBondContact O-N 3.09Å; L20-G93 CarbonylContact O-C 3.59Å; L20-G93 VanDerWaalsContact O-C 3.24Å; L20-G93 WeakPolarHBondContact O-CA 3.46Å; L20-T94 VanDerWaalsContact CA-OG1 3.24Å; L20-T94 WeakPolarHBondContact CA-OG1 3.5Å; L20-T94 HydrophobicContact CD2-CG2 4.16Å; L20-T94 PolarHBondContact O-N 2.93Å; L20-T94 PolarHBondContact O-OG1 2.66Å; L20-I122 HydrophobicContact CD2-CD1 4.49Å; L20-L346 HydrophobicContact CD1-CB 4.24Å; L20-L346 HydrophobicContact CD1-CD1 3.78Å
21G98.5Very high98.3Very high31 Ų3129.7 Ų29.732%0.3216%0.163SC..  trans60.2-149.8-173.400000112.9Q19 T23Q19-G21 VanDerWaalsContact C-N 3.34Å; Q19-G21 PolarHBondContact O-N 2.73Å; G21-T23 PolarHBondContact O-N 3.19Å; G21-T23 PolarHBondContact O-OG1 3.49Å; G21-T23 VanDerWaalsContact O-OG1 3.12Å
22R98.9Very high98.1Very high85 Ų8529.8 Ų29.832%0.32116%0.163SC..EExtended strand (participates in β ladder)trans-66.8128.5175.8-65.5-176.9179.1129.2-0.5109.8Y87 G93 T94 L317 L338 I339R22-Y87 PolarHBondContact O-OH 2.94Å; R22-G93 WeakPolarHBondContact O-CA 3.21Å; R22-G93 PolarHBondContact O-N 3.1Å; R22-T94 PolarHBondContact O-N 2.83Å; R22-L317 HydrophobicContact CB-CD2 4.4Å; R22-L338 CarbonylContact C-O 3.51Å; R22-L338 VanDerWaalsContact CA-O 3.3Å; R22-L338 WeakPolarHBondContact CA-O 3.15Å; R22-L338 HydrophobicContact CG-CB 4.37Å; R22-I339 HydrophobicContact CG-CD1 4.07Å; R22-I339 HydrophobicContact CG-CG1 3.9Å
23T98.9Very high97.9Very high1 Ų126 Ų261%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-124.3129.3-169.2-57.50000110.9G21 T25 T94 V96 L338 P342 L346G21-T23 PolarHBondContact O-N 3.19Å; G21-T23 PolarHBondContact O-OG1 3.49Å; G21-T23 VanDerWaalsContact O-OG1 3.12Å; T23-T25 HydrophobicContact CG2-CG2 4.22Å; T23-T94 VanDerWaalsContact CA-O 3.29Å; T23-T94 WeakPolarHBondContact CA-O 3.3Å; T23-T94 HydrophobicContact CG2-CG2 3.95Å; T23-V96 HydrophobicContact CG2-CG2 4.32Å; T23-L338 PolarHBondContact N-O 3.04Å; T23-P342 HydrophobicContact CG2-CB 3.77Å; T23-P342 HydrophobicContact CG2-CG 4.45Å; T23-L346 HydrophobicContact CG2-CD1 4.02Å
24M98.8Very high97.7Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-90.3122.8163.3-54.8-65.287.200108.1E27 Y87 T94 I95 V96 H297 I316 L317 L338M24-E27 HydrophobicContact CB-CG 3.77Å; M24-E27 WeakPolarHBondContact CB-OE1 3.21Å; M24-Y87 HydrophobicContact CE-CE2 4.43Å; M24-Y87 HydrophobicContact CG-CE2 3.67Å; M24-Y87 HydrophobicContact SD-CE2 4.23Å; M24-T94 PolarHBondContact N-O 3.32Å; M24-I95 HydrophobicContact CB-CG1 4.33Å; M24-V96 PolarHBondContact O-N 2.8Å; M24-H297 PolarHBondContact SD-CE1 3.12Å; M24-I316 HydrophobicContact CE-CG2 4.15Å; M24-I316 HydrophobicContact SD-CB 4.14Å; M24-I316 HydrophobicContact SD-CD1 3.88Å; M24-I316 HydrophobicContact SD-CG2 4.39Å; M24-L317 HydrophobicContact CE-CD2 4.41Å; M24-L338 HydrophobicContact CE-CD2 3.63Å
25T98.8Very high97.4Very high1 Ų128.9 Ų28.91%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-90.5-8.3-168.950.10000114.6T23 V96 E252 L294 V295 P342 W345T23-T25 HydrophobicContact CG2-CG2 4.22Å; T25-V96 WeakPolarHBondContact O-CB 3.48Å; T25-E252 WeakPolarHBondContact CB-OE1 3.36Å; T25-E252 PolarHBondContact OG1-OE1 3.28Å; T25-L294 HydrophobicContact CG2-CB 4.38Å; T25-L294 HydrophobicContact CG2-CD1 4.16Å; T25-L294 HydrophobicContact CG2-CD2 4.06Å; T25-L294 HydrophobicContact CG2-CG 4.43Å; T25-V295 PolarHBondContact OG1-O 3.05Å; T25-P342 HydrophobicContact CG2-CB 3.89Å; T25-P342 HydrophobicContact CG2-CG 3.83Å; T25-W345 HydrophobicContact CG2-CE3 4Å; T25-W345 HydrophobicContact CG2-CZ3 3.69Å
26H98.9Very high97.1Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-150.8101.3179.2-167146000112.2H28 N98 E169 I199 S229 H230 E252 D254 A296 D298H26-H28 AromaticContact CD2-NE2 3.91Å; H26-H28 AromaticContact NE2-NE2 3.56Å; H26-N98 VanDerWaalsContact CA-ND2 3.26Å; H26-N98 WeakPolarHBondContact CA-ND2 3.34Å; H26-N98 WeakPolarHBondContact CB-ND2 3.47Å; H26-N98 PolarHBondContact CD2-ND2 3.4Å; H26-E169 IonicContact CE1-OE2 3.43Å; H26-E169 IonicContact NE2-OE2 3.84Å; H26-I199 HydrophobicContact CB-CD1 4.31Å; H26-S229 PolarHBondContact ND1-OG 3.05Å; H26-H230 AromaticContact CE1-CE1 3.56Å; H26-H230 AromaticContact CE1-NE2 3.88Å; H26-E252 WeakPolarHBondContact CB-OE1 3.22Å; H26-E252 IonicContact CG-OE2 3.5Å; H26-E252 IonicContact ND1-OE2 3.82Å; H26-E252 PolarHBondContact ND1-OE2 3.1Å; H26-D254 HydrophobicContact CB-CB 3.83Å; H26-D254 IonicContact ND1-OD2 3.86Å; H26-D254 PolarHBondContact ND1-OD2 2.81Å; H26-A296 HydrophobicContact CB-CB 3.64Å; H26-A296 VanDerWaalsContact N-CB 3.28Å; H26-A296 WeakPolarHBondContact O-CB 3.33Å; H26-D298 IonicContact NE2-OD1 3.85Å; H26-D298 WeakPolarHBondContact O-CA 3.44Å; H26-D298 PolarHBondContact O-N 3.1Å
27E98.8Very high97Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-141.6163.2175.3-57.8-59.4166.300110.6M24 I95 V96 E97 N98 H297 D298 I299 Y313M24-E27 HydrophobicContact CB-CG 3.77Å; M24-E27 WeakPolarHBondContact CB-OE1 3.21Å; E27-I95 HydrophobicContact CB-CG2 3.61Å; E27-I95 HydrophobicContact CG-CG2 3.79Å; E27-V96 PolarHBondContact N-O 3.47Å; E27-E97 WeakPolarHBondContact O-CA 3.5Å; E27-N98 PolarHBondContact O-N 2.94Å; E27-H297 IonicContact OE1-CE1 3.19Å; E27-H297 IonicContact OE1-CG 3.22Å; E27-H297 PolarHBondContact OE1-N 3.37Å; E27-H297 IonicContact OE1-ND1 3.58Å; E27-H297 PolarHBondContact OE1-ND1 3.01Å; E27-H297 IonicContact OE2-ND1 2.61Å; E27-D298 PolarHBondContact OE2-N 3.02Å; E27-I299 PolarHBondContact OE2-N 3.48Å; E27-I299 VanDerWaalsContact OE2-N 3.09Å; E27-Y313 HydrophobicContact CB-CD1 4.31Å; E27-Y313 HydrophobicContact CB-CE1 3.98Å; E27-Y313 HydrophobicContact CG-CD1 3.98Å; E27-Y313 HydrophobicContact CG-CE1 4.16Å
28H98.7Very high96.8Very high2 Ų230.3 Ų30.31%0.00916%0.158CC..  trans-120.9142165.4-55.3-92.3000109.7H26 M31 E97 T99 E169 D298 I299 H300 Y313H26-H28 AromaticContact CD2-NE2 3.91Å; H26-H28 AromaticContact NE2-NE2 3.56Å; H28-M31 HydrophobicContact CB-CG 4.09Å; H28-M31 HydrophobicContact CB-SD 3.21Å; H28-M31 WeakPolarHBondContact CB-SD 3.47Å; H28-E97 WeakPolarHBondContact CA-OE1 3.24Å; H28-T99 PolarHBondContact ND1-OG1 3.5Å; H28-E169 IonicContact CE1-OE1 2.91Å; H28-E169 PolarHBondContact CE1-OE1 3.06Å; H28-E169 IonicContact NE2-OE1 3.39Å; H28-D298 IonicContact CD2-OD1 3.99Å; H28-D298 PolarHBondContact CD2-OD1 3.02Å; H28-D298 IonicContact NE2-OD1 3.27Å; H28-D298 PolarHBondContact NE2-OD1 3.3Å; H28-I299 CarbonylContact C-O 2.74Å; H28-I299 WeakPolarHBondContact CB-O 3.44Å; H28-I299 PolarHBondContact N-O 3.38Å; H28-H300 HydrophobicContact CB-CB 4.33Å; H28-Y313 PolarHBondContact O-OH 3.47Å
29L98Very high96.5Very high0 Ų030 Ų300%016%0.161CC..SBendtrans-117-52.3179.2-64.5174.5000110.2L80 L84 I95 E97 L110 L113 I121 Y313L29-L80 HydrophobicContact CD2-CD2 4.27Å; L29-L80 WeakPolarHBondContact O-CD1 3.3Å; L29-L80 WeakPolarHBondContact O-CD2 3.29Å; L29-L84 HydrophobicContact CD1-CD1 4.35Å; L29-L84 HydrophobicContact CD2-CD1 4.4Å; L29-L84 HydrophobicContact CD2-CD2 4.01Å; L29-L84 HydrophobicContact CD2-CG 4.41Å; L29-I95 HydrophobicContact CD1-CG2 4.42Å; L29-E97 HydrophobicContact CB-CG 3.95Å; L29-E97 HydrophobicContact CD1-CG 3.98Å; L29-E97 HydrophobicContact CG-CG 3.9Å; L29-E97 PolarHBondContact N-OE1 2.68Å; L29-L110 HydrophobicContact CB-CD2 3.73Å; L29-L110 HydrophobicContact CD1-CD2 4Å; L29-L110 HydrophobicContact CG-CD2 4.47Å; L29-L113 HydrophobicContact CB-CD1 4.45Å; L29-I121 HydrophobicContact CD1-CD1 3.65Å; L29-I121 HydrophobicContact CD1-CG1 4.16Å; L29-I121 HydrophobicContact CD1-CG2 4.19Å; L29-Y313 HydrophobicContact CD2-CE1 4Å; L29-Y313 HydrophobicContact CD2-CE2 4.47Å
30V95Very high96.3Very high3 Ų326 Ų262%0.01814%0.144CC..SBendtrans-128.2100.3-177.1-170.40000108.1L77 D106 A109 L110 L113V30-L77 HydrophobicContact CG1-CD2 4.39Å; V30-L77 HydrophobicContact CG2-CD2 3.64Å; V30-D106 HydrophobicContact CB-CB 4.11Å; V30-D106 HydrophobicContact CG1-CB 3.53Å; V30-A109 HydrophobicContact CG1-CB 4.49Å; V30-A109 HydrophobicContact CG2-CB 3.99Å; V30-L110 HydrophobicContact CB-CD2 4.41Å; V30-L110 HydrophobicContact CG2-CD2 4Å; V30-L113 HydrophobicContact CG2-CD1 4.18Å
31M95.4Very high96Very high1 Ų127.8 Ų27.81%0.00516%0.155CC..  trans-150.4164.7-176.778.3178.3-6600112.4H28 F33 L73 S74 T99 I103 H300H28-M31 HydrophobicContact CB-CG 4.09Å; H28-M31 HydrophobicContact CB-SD 3.21Å; H28-M31 WeakPolarHBondContact CB-SD 3.47Å; M31-F33 HydrophobicContact CE-CB 3.94Å; M31-F33 HydrophobicContact CE-CD2 3.59Å; M31-F33 HydrophobicContact CE-CE2 4.28Å; M31-F33 HydrophobicContact CE-CG 3.95Å; M31-L73 HydrophobicContact CG-CB 4.19Å; M31-L73 HydrophobicContact CG-CD2 4.46Å; M31-L73 PolarHBondContact O-N 3.49Å; M31-S74 PolarHBondContact O-N 3.06Å; M31-S74 PolarHBondContact O-OG 3.34Å; M31-T99 HydrophobicContact CB-CG2 3.47Å; M31-T99 VanDerWaalsContact CB-CG2 3.47Å; M31-I103 WeakPolarHBondContact CA-O 3.08Å; M31-I103 WeakPolarHBondContact CB-O 3.48Å; M31-I103 HydrophobicContact CE-CB 4.13Å; M31-I103 HydrophobicContact CE-CD1 4.02Å; M31-H300 HydrophobicContact CE-CB 4.11Å; M31-H300 HydrophobicContact SD-CB 3.37Å; M31-H300 WeakPolarHBondContact SD-CB 3.3Å
32S94.1Very high95.8Very high6 Ų632.2 Ų32.24%0.04218%0.179CC..  trans-119.3129.7162.7178.90000109F72 I103 D104S32-F72 WeakPolarHBondContact OG-CD1 3.35Å; S32-F72 VanDerWaalsContact OG-CE1 3.31Å; S32-F72 WeakPolarHBondContact OG-CE1 3.46Å; S32-I103 PolarHBondContact N-O 3.07Å; S32-I103 VanDerWaalsContact N-O 3.08Å; S32-D104 WeakPolarHBondContact CB-OD2 3.4Å
33F95.3Very high95.7Very high8 Ų831.1 Ų31.14%0.03519%0.194CC..  trans-112.330.3177-150.9-139.3000112.9M31 C35 S36 Y65 L71 I103 Y128 H300M31-F33 HydrophobicContact CE-CB 3.94Å; M31-F33 HydrophobicContact CE-CD2 3.59Å; M31-F33 HydrophobicContact CE-CE2 4.28Å; M31-F33 HydrophobicContact CE-CG 3.95Å; F33-C35 PolarHBondContact O-N 3.36Å; F33-S36 WeakPolarHBondContact CD1-OG 3.45Å; F33-S36 VanDerWaalsContact CE1-CB 3.49Å; F33-S36 WeakPolarHBondContact CE1-OG 3.34Å; F33-S36 WeakPolarHBondContact CE2-OG 3.29Å; F33-S36 WeakPolarHBondContact CZ-OG 3.42Å; F33-S36 WeakPolarHBondContact O-CB 3.24Å; F33-S36 PolarHBondContact O-N 2.99Å; F33-Y65 HydrophobicContact CD1-CD1 4.14Å; F33-Y65 AromaticContact CD1-CE1 3.73Å; F33-Y65 HydrophobicContact CD1-CE1 3.73Å; F33-Y65 HydrophobicContact CE1-CD1 4.34Å; F33-Y65 AromaticContact CE1-CE1 3.68Å; F33-Y65 HydrophobicContact CE1-CE1 3.68Å; F33-L71 HydrophobicContact CB-CB 4.4Å; F33-L71 HydrophobicContact CB-CD2 4.37Å; F33-L71 PolarHBondContact N-O 2.82Å; F33-I103 HydrophobicContact CD2-CG2 4.13Å; F33-I103 HydrophobicContact CE2-CG2 4.38Å; F33-Y128 AromaticContact CE2-CE1 3.78Å; F33-Y128 HydrophobicContact CE2-CE1 3.78Å; F33-Y128 HydrophobicContact CZ-CE1 4.47Å; F33-H300 AromaticContact CD1-CD2 3.62Å; F33-H300 AromaticContact CE1-CD2 3.77Å; F33-H300 AromaticContact CE1-NE2 3.91Å
34E93.4Very high95.5Very high85 Ų8533.3 Ų33.340%0.39721%0.205SC..G310 helixtrans-57.8-30.8-179.8-173.4177.6-177.100112.9S36 Y37 R68 F72E34-S36 PolarHBondContact O-N 2.8Å; E34-Y37 VanDerWaalsContact O-CB 3.27Å; E34-Y37 WeakPolarHBondContact O-CB 3.38Å; E34-Y37 PolarHBondContact O-N 3.12Å; E34-R68 IonicContact OE1-CZ 3.98Å; E34-R68 IonicContact OE1-NH1 2.88Å; E34-R68 PolarHBondContact OE1-NH1 2.89Å; E34-R68 IonicContact OE1-NH2 3.24Å; E34-F72 HydrophobicContact CB-CE1 4.38Å; E34-F72 HydrophobicContact CB-CZ 4.33Å; E34-F72 HydrophobicContact CG-CZ 4.42Å
35C92.1Very high95.4Very high60 Ų6037.7 Ų37.741%0.40523%0.226SC..G310 helixtrans-57.3-19.7175.762.80000113.7F33 T132F33-C35 PolarHBondContact O-N 3.36Å; C35-T132 HydrophobicContact CB-CG2 4.06Å
36S93.8Very high95.1Very high11 Ų1141.1 Ų41.18%0.07726%0.255CS..G310 helixtrans-100.23.3-178.5-64.60000113.3F33 E34 T38 Y65F33-S36 WeakPolarHBondContact CD1-OG 3.45Å; F33-S36 VanDerWaalsContact CE1-CB 3.49Å; F33-S36 WeakPolarHBondContact CE1-OG 3.34Å; F33-S36 WeakPolarHBondContact CE2-OG 3.29Å; F33-S36 WeakPolarHBondContact CZ-OG 3.42Å; F33-S36 WeakPolarHBondContact O-CB 3.24Å; F33-S36 PolarHBondContact O-N 2.99Å; E34-S36 PolarHBondContact O-N 2.8Å; S36-T38 PolarHBondContact O-N 3.41Å; S36-Y65 WeakPolarHBondContact O-CB 3.49Å
37Y95.3Very high94.9Very high77 Ų7742.6 Ų42.630%0.30226%0.263SS..  trans-57.8134.2179.8175.9-97.1000111.9E34 P40 Y65 R68 L71E34-Y37 VanDerWaalsContact O-CB 3.27Å; E34-Y37 WeakPolarHBondContact O-CB 3.38Å; E34-Y37 PolarHBondContact O-N 3.12Å; Y37-P40 WeakPolarHBondContact OH-CD 3.26Å; Y37-Y65 WeakPolarHBondContact CA-O 3.37Å; Y37-Y65 WeakPolarHBondContact CD2-O 3.46Å; Y37-R68 HydrophobicContact CD2-CG 3.56Å; Y37-R68 HydrophobicContact CE2-CG 3.56Å; Y37-R68 HydrophobicContact CG-CG 4.33Å; Y37-L71 HydrophobicContact CD2-CD1 4.26Å
38T93.7Very high94.7Very high43 Ų4343.2 Ų43.226%0.26427%0.269SS..  trans-120147.1172.562.10000110S36 Y65 S66S36-T38 PolarHBondContact O-N 3.41Å; T38-Y65 PolarHBondContact N-O 2.93Å; T38-S66 VanDerWaalsContact O-CA 3.31Å; T38-S66 WeakPolarHBondContact O-CA 3.44Å; T38-S66 PolarHBondContact OG1-OG 2.74Å
39T93.4Very high94.4Very high116 Ų11651 Ų5171%0.71231%0.305SS*.PPolyproline II helixtrans-63.2135.1173.7-53.50000109.5
40P94.1Very high94.1Very high14 Ų1454.8 Ų54.89%0.09133%0.325CS..PPolyproline II helixtrans-59.4155.2173.925.3-34.7000111.7Y37 D44 E45 A48 W59Y37-P40 WeakPolarHBondContact OH-CD 3.26Å; P40-D44 HydrophobicContact CB-CB 4.5Å; P40-E45 HydrophobicContact CG-CG 4.45Å; P40-A48 HydrophobicContact CB-CB 4.01Å; P40-A48 HydrophobicContact CG-CB 4.04Å; P40-W59 HydrophobicContact CB-CZ2 4.23Å
41P92.3Very high93.9Very high39 Ų3954.7 Ų54.725%0.25332%0.324SS..PPolyproline II helixtrans-54.1145171.3-23.733.9000111.4G43 D44P41-G43 PolarHBondContact O-N 2.72Å; P41-D44 HydrophobicContact CB-CB 4.47Å; P41-D44 WeakPolarHBondContact O-CB 3.42Å; P41-D44 PolarHBondContact O-N 2.98Å
42P95.1Very high93.8Very high125 Ų12556.3 Ų56.381%0.81233%0.332SS*.THydrogen-bonded Turntrans-55.9125.6177.8-25.534.2000111.8
43G95.6Very high93.8Very high62 Ų6259.5 Ų59.564%0.63935%0.346SS*.THydrogen-bonded Turntrans97-10.4-177.600000115P41 E45P41-G43 PolarHBondContact O-N 2.72Å; G43-E45 WeakPolarHBondContact CA-OE2 3.5Å; G43-E45 PolarHBondContact N-OE1 2.98Å; G43-E45 PolarHBondContact N-OE2 2.86Å
44D95.8Very high93.8Very high46 Ų4667.7 Ų67.725%0.24639%0.386CS..  trans-97.37.8179.4-69.9-10.9000113.2P40 P41 A46 V47 A48 W59P40-D44 HydrophobicContact CB-CB 4.5Å; P41-D44 HydrophobicContact CB-CB 4.47Å; P41-D44 WeakPolarHBondContact O-CB 3.42Å; P41-D44 PolarHBondContact O-N 2.98Å; D44-A46 VanDerWaalsContact C-N 3.29Å; D44-A46 PolarHBondContact O-N 3.35Å; D44-V47 WeakPolarHBondContact O-CB 3.19Å; D44-V47 PolarHBondContact O-N 2.95Å; D44-A48 PolarHBondContact O-N 3.26Å; D44-W59 HydrophobicContact CB-CZ2 4.12Å; D44-W59 PolarHBondContact OD2-NE1 2.69Å
45E95.2Very high93.9Very high93 Ų9371 Ų7144%0.43540%0.402SS..Hα-helixtrans-57.4-41.5-174.1-62.582.3178.900112.1P40 G43 V47 A48 E49P40-E45 HydrophobicContact CG-CG 4.45Å; G43-E45 WeakPolarHBondContact CA-OE2 3.5Å; G43-E45 PolarHBondContact N-OE1 2.98Å; G43-E45 PolarHBondContact N-OE2 2.86Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.44Å; E45-A48 WeakPolarHBondContact O-CB 3.41Å; E45-A48 PolarHBondContact O-N 3.38Å; E45-E49 WeakPolarHBondContact O-CG 3.28Å; E45-E49 PolarHBondContact O-N 2.96Å; E45-E49 VanDerWaalsContact O-N 3.1Å
46A93.8Very high94.1Very high73 Ų7369.5 Ų69.560%0.60339%0.389SS*.Hα-helixtrans-65.9-30.317800000113.1D44D44-A46 VanDerWaalsContact C-N 3.29Å; D44-A46 PolarHBondContact O-N 3.35Å
47V94.6Very high94Very high30 Ų3071.4 Ų71.418%0.18240%0.397CS..Hα-helixtrans-72.1-41.3175.3-177.50000109.7D44 E45 E49 N50 P51 H56 W59D44-V47 WeakPolarHBondContact O-CB 3.19Å; D44-V47 PolarHBondContact O-N 2.95Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.44Å; V47-E49 VanDerWaalsContact C-N 3.33Å; V47-E49 PolarHBondContact O-N 3.16Å; V47-N50 CarbonylContact O-C 3.18Å; V47-N50 PolarHBondContact O-N 2.88Å; V47-P51 WeakPolarHBondContact O-CA 3.34Å; V47-H56 HydrophobicContact CG1-CB 3.94Å; V47-W59 HydrophobicContact CB-CD2 4.31Å; V47-W59 HydrophobicContact CG1-CB 4.21Å; V47-W59 HydrophobicContact CG1-CD2 3.48Å; V47-W59 VanDerWaalsContact CG1-CD2 3.48Å; V47-W59 HydrophobicContact CG1-CE3 3.55Å; V47-W59 HydrophobicContact CG1-CG 3.77Å; V47-W59 HydrophobicContact CG1-CZ3 4.13Å
48A93.9Very high93.9Very high14 Ų1474 Ų7412%0.11641%0.412CS..Hα-helixtrans-64.6-32.5179.100000113.8P40 D44 E45 W59 S66 C67P40-A48 HydrophobicContact CB-CB 4.01Å; P40-A48 HydrophobicContact CG-CB 4.04Å; D44-A48 PolarHBondContact O-N 3.26Å; E45-A48 WeakPolarHBondContact O-CB 3.41Å; E45-A48 PolarHBondContact O-N 3.38Å; A48-W59 HydrophobicContact CB-CH2 3.71Å; A48-W59 HydrophobicContact CB-CZ2 4.28Å; A48-S66 WeakPolarHBondContact CB-O 3.34Å; A48-C67 PolarHBondContact O-SG 3.32Å
49E92.4Very high94Very high165 Ų16573.3 Ų73.377%0.77140%0.404SS*.Hα-helixtrans-75.3-26.8178.6-74-179.9175.600114E45 V47E45-E49 WeakPolarHBondContact O-CG 3.28Å; E45-E49 PolarHBondContact O-N 2.96Å; E45-E49 VanDerWaalsContact O-N 3.1Å; V47-E49 VanDerWaalsContact C-N 3.33Å; V47-E49 PolarHBondContact O-N 3.16Å
50N91.5Very high94Very high80 Ų8067.8 Ų67.843%0.42837%0.371SS..SBendtrans-133.469.1176.6-176.117.5000110.5V47 Q53 H56V47-N50 CarbonylContact O-C 3.18Å; V47-N50 PolarHBondContact O-N 2.88Å; N50-Q53 PolarHBondContact ND2-NE2 2.66Å; N50-Q53 PolarHBondContact OD1-NE2 3.2Å; N50-H56 PolarHBondContact O-CE1 3.13Å; N50-H56 PolarHBondContact O-ND1 3.02Å
51P91.1Very high93.9Very high0 Ų073.6 Ų73.60%039%0.391CS..  trans-73.7-33.5-165.334-44.1000113.6V47 Q53 H56 L60 C67 E69V47-P51 WeakPolarHBondContact O-CA 3.34Å; P51-Q53 PolarHBondContact O-N 3.36Å; P51-H56 VanDerWaalsContact O-CB 3.28Å; P51-H56 WeakPolarHBondContact O-CB 3.43Å; P51-L60 HydrophobicContact CB-CD1 4.01Å; P51-L60 HydrophobicContact CB-CD2 3.75Å; P51-L60 HydrophobicContact CB-CG 4Å; P51-L60 WeakPolarHBondContact O-CD1 3.49Å; P51-C67 HydrophobicContact CB-CB 4.2Å; P51-C67 VanDerWaalsContact CB-SG 3.52Å; P51-C67 WeakPolarHBondContact CG-SG 3.46Å; P51-E69 HydrophobicContact CG-CB 4.47Å
52F94.3Very high94Very high35 Ų3573 Ų7315%0.15439%0.385CS..  trans-8850.7-167.7-61.3-63000112.8L60 E69 N70 K302 N303 F308F52-L60 HydrophobicContact CD1-CD1 3.72Å; F52-L60 HydrophobicContact CE1-CD1 3.85Å; F52-E69 HydrophobicContact CD2-CG 4.49Å; F52-E69 HydrophobicContact CE2-CB 4.13Å; F52-E69 HydrophobicContact CE2-CG 3.83Å; F52-N70 HydrophobicContact CZ-CB 4.01Å; F52-K302 HydrophobicContact CE1-CB 4.02Å; F52-K302 HydrophobicContact CE2-CB 4.5Å; F52-K302 HydrophobicContact CE2-CD 4.06Å; F52-K302 HydrophobicContact CZ-CB 3.63Å; F52-K302 HydrophobicContact CZ-CD 3.98Å; F52-K302 HydrophobicContact CZ-CG 4.37Å; F52-N303 HydrophobicContact CE1-CB 4.24Å; F52-F308 HydrophobicContact CB-CD1 4.12Å; F52-F308 HydrophobicContact CB-CE1 4.46Å; F52-F308 HydrophobicContact CD1-CB 4.04Å; F52-F308 AromaticContact CD1-CD1 3.41Å; F52-F308 HydrophobicContact CD1-CD1 3.41Å; F52-F308 VanDerWaalsContact CD1-CD1 3.41Å; F52-F308 HydrophobicContact CD1-CE1 4.11Å; F52-F308 AromaticContact CD1-CG 3.96Å; F52-F308 HydrophobicContact CD1-CG 3.96Å; F52-F308 HydrophobicContact CD2-CD1 4.21Å; F52-F308 HydrophobicContact CD2-CE1 4.08Å; F52-F308 HydrophobicContact CE1-CB 4.19Å; F52-F308 AromaticContact CE1-CD1 3.85Å; F52-F308 HydrophobicContact CE1-CD1 3.85Å; F52-F308 HydrophobicContact CE1-CE1 4.43Å; F52-F308 HydrophobicContact CE1-CG 4.06Å; F52-F308 HydrophobicContact CE2-CE1 4.43Å; F52-F308 AromaticContact CG-CD1 3.64Å; F52-F308 HydrophobicContact CG-CD1 3.64Å; F52-F308 AromaticContact CG-CE1 3.94Å; F52-F308 HydrophobicContact CG-CE1 3.94Å; F52-F308 HydrophobicContact CZ-CD1 4.44Å
53Q94.3Very high93.9Very high74 Ų7469.5 Ų69.535%0.34636%0.357SS..SBendtrans-109.3144.1172.2-58.1-61.2-37.700109.4N50 P51 Q55 H56 M57N50-Q53 PolarHBondContact ND2-NE2 2.66Å; N50-Q53 PolarHBondContact OD1-NE2 3.2Å; P51-Q53 PolarHBondContact O-N 3.36Å; Q53-Q55 HydrophobicContact CB-CG 4.14Å; Q53-Q55 PolarHBondContact O-N 3.45Å; Q53-Q55 VanDerWaalsContact O-N 3.12Å; Q53-H56 HydrophobicContact CB-CB 4.42Å; Q53-H56 WeakPolarHBondContact O-CA 3.48Å; Q53-H56 PolarHBondContact O-N 3.47Å; Q53-M57 VanDerWaalsContact O-CE 3.22Å; Q53-M57 WeakPolarHBondContact O-CE 3.33Å; Q53-M57 PolarHBondContact O-N 2.84Å
54M94.7Very high93.9Very high179 Ų17966.8 Ų66.888%0.88233%0.328SS*.G310 helixtrans-53.3-39.2-179.5-175.4175.2-75.100112.2H56 M57M54-H56 PolarHBondContact O-N 3.26Å; M54-M57 WeakPolarHBondContact O-CG 3.47Å; M54-M57 PolarHBondContact O-N 2.86Å
55Q95.3Very high93.9Very high156 Ų15665.2 Ų65.273%0.72932%0.319SS*.G310 helixtrans-68-18.2178.173.9-146.722.800114.2Q53Q53-Q55 HydrophobicContact CB-CG 4.14Å; Q53-Q55 PolarHBondContact O-N 3.45Å; Q53-Q55 VanDerWaalsContact O-N 3.12Å
56H95.3Very high93.9Very high27 Ų2761 Ų6113%0.12530%0.3CS..G310 helixtrans-99.5-4.9-178.8-57.5165.5000112.9V47 N50 P51 Q53 M54 H58 W59 L60V47-H56 HydrophobicContact CG1-CB 3.94Å; N50-H56 PolarHBondContact O-CE1 3.13Å; N50-H56 PolarHBondContact O-ND1 3.02Å; P51-H56 VanDerWaalsContact O-CB 3.28Å; P51-H56 WeakPolarHBondContact O-CB 3.43Å; Q53-H56 HydrophobicContact CB-CB 4.42Å; Q53-H56 WeakPolarHBondContact O-CA 3.48Å; Q53-H56 PolarHBondContact O-N 3.47Å; M54-H56 PolarHBondContact O-N 3.26Å; H56-H58 VanDerWaalsContact C-N 3.29Å; H56-H58 PolarHBondContact O-N 3.4Å; H56-W59 WeakPolarHBondContact O-CB 3.42Å; H56-W59 PolarHBondContact O-N 2.63Å; H56-L60 PolarHBondContact O-N 3.4Å
57M93.1Very high93.9Very high51 Ų5157.6 Ų57.625%0.25127%0.272SS..Hα-helixtrans-59.1-36.5-172.6-69.9-66129.300114Q53 M54 L60 R61Q53-M57 VanDerWaalsContact O-CE 3.22Å; Q53-M57 WeakPolarHBondContact O-CE 3.33Å; Q53-M57 PolarHBondContact O-N 2.84Å; M54-M57 WeakPolarHBondContact O-CG 3.47Å; M54-M57 PolarHBondContact O-N 2.86Å; M57-L60 HydrophobicContact CE-CD1 4.01Å; M57-L60 HydrophobicContact SD-CD1 4.46Å; M57-R61 PolarHBondContact O-N 3.37Å
58H93.3Very high93.8Very high131 Ų13161.6 Ų61.661%0.60628%0.283SS*.Hα-helixtrans-66.5-46.2175.3179.869.4000111.4H56 L60 R61 Q62H56-H58 VanDerWaalsContact C-N 3.29Å; H56-H58 PolarHBondContact O-N 3.4Å; H58-L60 VanDerWaalsContact C-N 3.34Å; H58-L60 PolarHBondContact O-N 2.94Å; H58-R61 WeakPolarHBondContact O-CB 3.44Å; H58-R61 PolarHBondContact O-N 3.46Å; H58-R61 VanDerWaalsContact O-N 3.14Å; H58-Q62 PolarHBondContact O-N 2.84Å
59W94.2Very high93.8Very high30 Ų3064.7 Ų64.711%0.11430%0.296CS..Hα-helixtrans-58.3-47176.8-179.493.7000111P40 D44 V47 A48 H56 R61 Q62 H63 C67P40-W59 HydrophobicContact CB-CZ2 4.23Å; D44-W59 HydrophobicContact CB-CZ2 4.12Å; D44-W59 PolarHBondContact OD2-NE1 2.69Å; V47-W59 HydrophobicContact CB-CD2 4.31Å; V47-W59 HydrophobicContact CG1-CB 4.21Å; V47-W59 HydrophobicContact CG1-CD2 3.48Å; V47-W59 VanDerWaalsContact CG1-CD2 3.48Å; V47-W59 HydrophobicContact CG1-CE3 3.55Å; V47-W59 HydrophobicContact CG1-CG 3.77Å; V47-W59 HydrophobicContact CG1-CZ3 4.13Å; A48-W59 HydrophobicContact CB-CH2 3.71Å; A48-W59 HydrophobicContact CB-CZ2 4.28Å; H56-W59 WeakPolarHBondContact O-CB 3.42Å; H56-W59 PolarHBondContact O-N 2.63Å; W59-R61 PolarHBondContact O-N 2.81Å; W59-Q62 CarbonylContact O-C 3.54Å; W59-Q62 PolarHBondContact O-N 3.29Å; W59-H63 AromaticContact CD1-CD2 3.56Å; W59-H63 HydrophobicContact CD2-CB 4.2Å; W59-H63 AromaticContact CE2-CD2 3.83Å; W59-H63 HydrophobicContact CE3-CB 4.47Å; W59-H63 AromaticContact CG-CD2 4Å; W59-H63 HydrophobicContact CH2-CB 4.19Å; W59-H63 HydrophobicContact CZ2-CB 3.91Å; W59-H63 HydrophobicContact CZ3-CB 4.47Å; W59-H63 AromaticContact NE1-CD2 3.43Å; W59-H63 PolarHBondContact NE1-CD2 3.4Å; W59-H63 PolarHBondContact O-N 3.38Å; W59-C67 HydrophobicContact CZ3-CB 4.41Å
60L94.2Very high94Very high0 Ų056.9 Ų56.90%026%0.259CS..Hα-helixtrans-57-35.4176.4-96.4-178.8000113.4P51 F52 H56 M57 H58 H63 P64 C67 N70 N303P51-L60 HydrophobicContact CB-CD1 4.01Å; P51-L60 HydrophobicContact CB-CD2 3.75Å; P51-L60 HydrophobicContact CB-CG 4Å; P51-L60 WeakPolarHBondContact O-CD1 3.49Å; F52-L60 HydrophobicContact CD1-CD1 3.72Å; F52-L60 HydrophobicContact CE1-CD1 3.85Å; H56-L60 PolarHBondContact O-N 3.4Å; M57-L60 HydrophobicContact CE-CD1 4.01Å; M57-L60 HydrophobicContact SD-CD1 4.46Å; H58-L60 VanDerWaalsContact C-N 3.34Å; H58-L60 PolarHBondContact O-N 2.94Å; L60-H63 CarbonylContact O-C 3.47Å; L60-P64 VanDerWaalsContact O-CA 3.26Å; L60-P64 WeakPolarHBondContact O-CA 3.48Å; L60-P64 VanDerWaalsContact O-N 3.17Å; L60-C67 HydrophobicContact CD2-CB 4.36Å; L60-N70 HydrophobicContact CD2-CB 4.43Å; L60-N303 HydrophobicContact CD1-CB 4.25Å
61R92.7Very high94.2Very high136 Ų13653 Ų5351%0.51324%0.239SC..Hα-helixtrans-69.5-35176.3-171.5-179-61.5159.62112.2M57 H58 W59M57-R61 PolarHBondContact O-N 3.37Å; H58-R61 WeakPolarHBondContact O-CB 3.44Å; H58-R61 PolarHBondContact O-N 3.46Å; H58-R61 VanDerWaalsContact O-N 3.14Å; W59-R61 PolarHBondContact O-N 2.81Å
62Q93.1Very high94.5Very high27 Ų2755.1 Ų55.113%0.12625%0.248CC..Hα-helixtrans-85.5-25.3179.7-58.3-48.2-57.100112.9H58 W59H58-Q62 PolarHBondContact O-N 2.84Å; W59-Q62 CarbonylContact O-C 3.54Å; W59-Q62 PolarHBondContact O-N 3.29Å
63H94.1Very high94.5Very high51 Ų5153.4 Ų53.424%0.23624%0.24CC..  trans-127.950-176.8-56.7-68.6000112.7W59 L60 Y65 S66W59-H63 AromaticContact CD1-CD2 3.56Å; W59-H63 HydrophobicContact CD2-CB 4.2Å; W59-H63 AromaticContact CE2-CD2 3.83Å; W59-H63 HydrophobicContact CE3-CB 4.47Å; W59-H63 AromaticContact CG-CD2 4Å; W59-H63 HydrophobicContact CH2-CB 4.19Å; W59-H63 HydrophobicContact CZ2-CB 3.91Å; W59-H63 HydrophobicContact CZ3-CB 4.47Å; W59-H63 AromaticContact NE1-CD2 3.43Å; W59-H63 PolarHBondContact NE1-CD2 3.4Å; W59-H63 PolarHBondContact O-N 3.38Å; L60-H63 CarbonylContact O-C 3.47Å; H63-Y65 PolarHBondContact O-N 2.73Å; H63-Y65 VanDerWaalsContact O-N 3.11Å; H63-S66 PolarHBondContact O-N 2.91Å
64P94.4Very high94.5Very high5 Ų551.8 Ų51.83%0.03224%0.237CC..THydrogen-bonded Turntrans-64-23.4-172.425.8-34.2000113.3L60 N70 M260L60-P64 VanDerWaalsContact O-CA 3.26Å; L60-P64 WeakPolarHBondContact O-CA 3.48Å; L60-P64 VanDerWaalsContact O-N 3.17Å; P64-N70 PolarHBondContact O-ND2 3.28Å; P64-M260 HydrophobicContact CG-CE 4.02Å
65Y95.8Very high94.5Very high12 Ų1248.9 Ų48.95%0.04722%0.221CC..THydrogen-bonded Turntrans-95.5-1.9179.2-48.8-76.7000114.4F33 S36 Y37 T38 H63 C67 L71 P264 F265 H300 T301F33-Y65 HydrophobicContact CD1-CD1 4.14Å; F33-Y65 AromaticContact CD1-CE1 3.73Å; F33-Y65 HydrophobicContact CD1-CE1 3.73Å; F33-Y65 HydrophobicContact CE1-CD1 4.34Å; F33-Y65 AromaticContact CE1-CE1 3.68Å; F33-Y65 HydrophobicContact CE1-CE1 3.68Å; S36-Y65 WeakPolarHBondContact O-CB 3.49Å; Y37-Y65 WeakPolarHBondContact CA-O 3.37Å; Y37-Y65 WeakPolarHBondContact CD2-O 3.46Å; T38-Y65 PolarHBondContact N-O 2.93Å; H63-Y65 PolarHBondContact O-N 2.73Å; H63-Y65 VanDerWaalsContact O-N 3.11Å; Y65-C67 VanDerWaalsContact C-N 3.26Å; Y65-C67 PolarHBondContact O-N 3.08Å; Y65-L71 HydrophobicContact CD1-CD2 3.63Å; Y65-L71 HydrophobicContact CE1-CD2 4.31Å; Y65-L71 HydrophobicContact CG-CD2 4.5Å; Y65-P264 HydrophobicContact CD2-CG 3.49Å; Y65-P264 VanDerWaalsContact CD2-CG 3.49Å; Y65-P264 HydrophobicContact CE2-CG 3.81Å; Y65-F265 HydrophobicContact CD1-CE2 4.42Å; Y65-F265 AromaticContact CD1-CZ 3.93Å; Y65-F265 HydrophobicContact CD1-CZ 3.93Å; Y65-F265 AromaticContact CD2-CE2 3.85Å; Y65-F265 HydrophobicContact CD2-CE2 3.85Å; Y65-F265 AromaticContact CD2-CZ 3.7Å; Y65-F265 HydrophobicContact CD2-CZ 3.7Å; Y65-F265 HydrophobicContact CE1-CE2 4.03Å; Y65-F265 AromaticContact CE1-CZ 3.96Å; Y65-F265 HydrophobicContact CE1-CZ 3.96Å; Y65-F265 HydrophobicContact CE2-CD2 4.32Å; Y65-F265 AromaticContact CE2-CE2 3.34Å; Y65-F265 HydrophobicContact CE2-CE2 3.34Å; Y65-F265 AromaticContact CE2-CZ 3.69Å; Y65-F265 HydrophobicContact CE2-CZ 3.69Å; Y65-F265 HydrophobicContact CG-CE2 4.35Å; Y65-F265 AromaticContact CG-CZ 3.82Å; Y65-F265 HydrophobicContact CG-CZ 3.82Å; Y65-F265 AromaticContact CZ-CE2 3.47Å; Y65-F265 VanDerWaalsContact CZ-CE2 3.47Å; Y65-F265 AromaticContact CZ-CZ 3.84Å; Y65-H300 AromaticContact CE1-NE2 3.56Å; Y65-H300 AromaticContact CZ-NE2 3.59Å; Y65-H300 PolarHBondContact OH-NE2 3.06Å; Y65-T301 HydrophobicContact CE1-CG2 4.41Å
66S95.5Very high94.6Very high5 Ų542.4 Ų42.44%0.03519%0.191CC..SBendtrans-91.813.5177.4-54.90000113.6T38 A48 H63T38-S66 VanDerWaalsContact O-CA 3.31Å; T38-S66 WeakPolarHBondContact O-CA 3.44Å; T38-S66 PolarHBondContact OG1-OG 2.74Å; A48-S66 WeakPolarHBondContact CB-O 3.34Å; H63-S66 PolarHBondContact O-N 2.91Å
67C94Very high94.7Very high2 Ų244.8 Ų44.81%0.01420%0.204CC..  trans-134.8117.1175.7176.40000110A48 P51 W59 L60 Y65 E69 N70 L71A48-C67 PolarHBondContact O-SG 3.32Å; P51-C67 HydrophobicContact CB-CB 4.2Å; P51-C67 VanDerWaalsContact CB-SG 3.52Å; P51-C67 WeakPolarHBondContact CG-SG 3.46Å; W59-C67 HydrophobicContact CZ3-CB 4.41Å; L60-C67 HydrophobicContact CD2-CB 4.36Å; Y65-C67 VanDerWaalsContact C-N 3.26Å; Y65-C67 PolarHBondContact O-N 3.08Å; C67-E69 PolarHBondContact O-N 2.94Å; C67-N70 HydrophobicContact CB-CB 3.96Å; C67-N70 WeakPolarHBondContact O-CB 3.29Å; C67-N70 PolarHBondContact O-N 2.93Å; C67-L71 WeakPolarHBondContact O-CG 3.42Å
68R92.6Very high94.9Very high113 Ų11346.3 Ų46.343%0.42622%0.22SC..THydrogen-bonded Turntrans-60.7-45.5179.8-74.1178170.9-96.6-8112.3E34 Y37 N70 L71 F72E34-R68 IonicContact OE1-CZ 3.98Å; E34-R68 IonicContact OE1-NH1 2.88Å; E34-R68 PolarHBondContact OE1-NH1 2.89Å; E34-R68 IonicContact OE1-NH2 3.24Å; Y37-R68 HydrophobicContact CD2-CG 3.56Å; Y37-R68 HydrophobicContact CE2-CG 3.56Å; Y37-R68 HydrophobicContact CG-CG 4.33Å; R68-N70 PolarHBondContact O-N 3.32Å; R68-N70 VanDerWaalsContact O-N 3.15Å; R68-L71 PolarHBondContact O-N 3.29Å; R68-F72 HydrophobicContact CB-CE2 4.12Å; R68-F72 WeakPolarHBondContact O-CD2 3.24Å; R68-F72 WeakPolarHBondContact O-CE2 3.48Å
69E93.9Very high95.1Very high80 Ų8040.3 Ų40.337%0.37419%0.193SC..G310 helixtrans-56.4-35.1179.6-163.1-169.3160.500111.7P51 F52 C67 L71 F72 K302P51-E69 HydrophobicContact CG-CB 4.47Å; F52-E69 HydrophobicContact CD2-CG 4.49Å; F52-E69 HydrophobicContact CE2-CB 4.13Å; F52-E69 HydrophobicContact CE2-CG 3.83Å; C67-E69 PolarHBondContact O-N 2.94Å; E69-L71 PolarHBondContact O-N 3.06Å; E69-F72 PolarHBondContact O-N 3.35Å; E69-K302 WeakPolarHBondContact O-CD 3.45Å; E69-K302 WeakPolarHBondContact O-CE 3.28Å; E69-K302 IonicContact OE1-NZ 3.58Å
70N96.9Very high95.4Very high0 Ų038.9 Ų38.90%019%0.187CC..G310 helixtrans-67.3-22.4178.4-165.848.5000114.5F52 L60 P64 C67 R68 T301 K302 N303F52-N70 HydrophobicContact CZ-CB 4.01Å; L60-N70 HydrophobicContact CD2-CB 4.43Å; P64-N70 PolarHBondContact O-ND2 3.28Å; C67-N70 HydrophobicContact CB-CB 3.96Å; C67-N70 WeakPolarHBondContact O-CB 3.29Å; C67-N70 PolarHBondContact O-N 2.93Å; R68-N70 PolarHBondContact O-N 3.32Å; R68-N70 VanDerWaalsContact O-N 3.15Å; N70-T301 WeakPolarHBondContact O-CA 3.33Å; N70-T301 WeakPolarHBondContact O-CB 3.5Å; N70-K302 PolarHBondContact O-N 3.2Å; N70-K302 PolarHBondContact OD1-N 3.33Å; N70-N303 PolarHBondContact ND2-OD1 3.35Å; N70-N303 VanDerWaalsContact OD1-CB 3.3Å; N70-N303 WeakPolarHBondContact OD1-CB 3.27Å; N70-N303 PolarHBondContact OD1-N 3.14Å; N70-N303 PolarHBondContact OD1-OD1 3.11Å; N70-N303 VanDerWaalsContact OD1-OD1 3.12Å
71L96.5Very high95.6Very high0 Ų044 Ų440%021%0.207CC..G310 helixtrans-91.9-6.3-176.4-57.6177.4000113.7F33 Y37 Y65 C67 R68 E69 L73 T301F33-L71 HydrophobicContact CB-CB 4.4Å; F33-L71 HydrophobicContact CB-CD2 4.37Å; F33-L71 PolarHBondContact N-O 2.82Å; Y37-L71 HydrophobicContact CD2-CD1 4.26Å; Y65-L71 HydrophobicContact CD1-CD2 3.63Å; Y65-L71 HydrophobicContact CE1-CD2 4.31Å; Y65-L71 HydrophobicContact CG-CD2 4.5Å; C67-L71 WeakPolarHBondContact O-CG 3.42Å; R68-L71 PolarHBondContact O-N 3.29Å; E69-L71 PolarHBondContact O-N 3.06Å; L71-L73 PolarHBondContact O-N 2.98Å; L71-T301 HydrophobicContact CD2-CG2 3.92Å
72F95.6Very high95.9Very high43 Ų4342 Ų4219%0.18921%0.206CC..  trans-10067.9178.7-64.9-69.2000111.5S32 E34 R68 E69 S74 Q75 K302S32-F72 WeakPolarHBondContact OG-CD1 3.35Å; S32-F72 VanDerWaalsContact OG-CE1 3.31Å; S32-F72 WeakPolarHBondContact OG-CE1 3.46Å; E34-F72 HydrophobicContact CB-CE1 4.38Å; E34-F72 HydrophobicContact CB-CZ 4.33Å; E34-F72 HydrophobicContact CG-CZ 4.42Å; R68-F72 HydrophobicContact CB-CE2 4.12Å; R68-F72 WeakPolarHBondContact O-CD2 3.24Å; R68-F72 WeakPolarHBondContact O-CE2 3.48Å; E69-F72 PolarHBondContact O-N 3.35Å; F72-S74 PolarHBondContact O-N 3.36Å; F72-Q75 HydrophobicContact CB-CG 4.04Å; F72-Q75 PolarHBondContact O-N 2.84Å; F72-K302 WeakPolarHBondContact O-CE 3.46Å
73L96.1Very high96.1Very high0 Ų040.9 Ų40.90%020%0.201CC..G310 helixtrans-59.6-31.2178.3-170.263.4000112M31 L71 Q75 E76 L80 L305M31-L73 HydrophobicContact CG-CB 4.19Å; M31-L73 HydrophobicContact CG-CD2 4.46Å; M31-L73 PolarHBondContact O-N 3.49Å; L71-L73 PolarHBondContact O-N 2.98Å; L73-Q75 PolarHBondContact O-N 2.96Å; L73-E76 PolarHBondContact O-N 3.34Å; L73-L80 HydrophobicContact CD1-CD2 4.18Å; L73-L80 HydrophobicContact CD2-CD2 4.3Å; L73-L80 HydrophobicContact CG-CD1 4.45Å; L73-L80 HydrophobicContact CG-CD2 4.21Å; L73-L305 HydrophobicContact CD1-CD1 3.74Å; L73-L305 HydrophobicContact CD1-CD2 4.16Å; L73-L305 HydrophobicContact CD1-CG 4.09Å
74S94.1Very high96.4Very high39 Ų3938.5 Ų38.527%0.27319%0.19SC..G310 helixtrans-55.8-20.2176.9590000115.2M31 F72 E76M31-S74 PolarHBondContact O-N 3.06Å; M31-S74 PolarHBondContact O-OG 3.34Å; F72-S74 PolarHBondContact O-N 3.36Å; S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 3.37Å
75Q94.9Very high96.6Very high119 Ų11941.6 Ų41.656%0.55621%0.206SC*.G310 helixtrans-80.2-5.7176.9-64.3176.4-8.800113.6F72 L73 K302F72-Q75 HydrophobicContact CB-CG 4.04Å; F72-Q75 PolarHBondContact O-N 2.84Å; L73-Q75 PolarHBondContact O-N 2.96Å; Q75-K302 VanDerWaalsContact OE1-NZ 3.16Å
76E96.6Very high96.7Very high19 Ų1942.7 Ų42.79%0.08922%0.217CC..G310 helixtrans-112.232.5-169.4-61.1-60.7153.500113.9L73 S74 S78 A79 L80 K302 L305 K307 F308L73-E76 PolarHBondContact O-N 3.34Å; S74-E76 VanDerWaalsContact C-N 3.28Å; S74-E76 PolarHBondContact O-N 3.37Å; E76-S78 PolarHBondContact O-N 2.84Å; E76-S78 VanDerWaalsContact O-N 3.09Å; E76-A79 HydrophobicContact CB-CB 4.12Å; E76-A79 WeakPolarHBondContact O-CA 3.29Å; E76-A79 WeakPolarHBondContact O-CB 3.28Å; E76-A79 PolarHBondContact O-N 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.17Å; E76-L80 PolarHBondContact O-N 3.22Å; E76-K302 HydrophobicContact CG-CD 3.63Å; E76-K302 HydrophobicContact CG-CG 3.88Å; E76-K302 WeakPolarHBondContact OE1-CE 3.25Å; E76-K302 IonicContact OE1-NZ 3.43Å; E76-K302 PolarHBondContact OE1-NZ 2.97Å; E76-L305 HydrophobicContact CB-CD1 4.13Å; E76-K307 IonicContact OE2-NZ 2.97Å; E76-K307 PolarHBondContact OE2-NZ 2.85Å; E76-F308 VanDerWaalsContact CD-CZ 3.46Å; E76-F308 HydrophobicContact CG-CE2 3.87Å; E76-F308 HydrophobicContact CG-CZ 4.15Å; E76-F308 WeakPolarHBondContact OE2-CZ 3.49Å
77L97.3Very high96.9Very high77 Ų7742.4 Ų42.440%0.40322%0.216SC..Hα-helixtrans-50.5-39.1-176.8-66.6-179.9000114.3V30 L80 R81 A109V30-L77 HydrophobicContact CG1-CD2 4.39Å; V30-L77 HydrophobicContact CG2-CD2 3.64Å; L77-L80 HydrophobicContact CD2-CD1 4.32Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 2.85Å; L77-A109 HydrophobicContact CD2-CB 4.1Å
78S97.9Very high97.1Very high83 Ų8347.8 Ų47.858%0.5824%0.235SC*.Hα-helixtrans-66.2-42.3176.1-1720000112.1E76 R81 D82E76-S78 PolarHBondContact O-N 2.84Å; E76-S78 VanDerWaalsContact O-N 3.09Å; S78-R81 PolarHBondContact O-N 3.4Å; S78-D82 PolarHBondContact O-N 3.17Å; S78-D82 VanDerWaalsContact O-N 3.12Å
79A98Very high97.4Very high5 Ų551.6 Ų51.64%0.04126%0.255CS..Hα-helixtrans-67.6-40.6179.200000110.7E76 R81 D82 E83 L305 K307E76-A79 HydrophobicContact CB-CB 4.12Å; E76-A79 WeakPolarHBondContact O-CA 3.29Å; E76-A79 WeakPolarHBondContact O-CB 3.28Å; E76-A79 PolarHBondContact O-N 3.27Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; A79-D82 PolarHBondContact O-N 3.38Å; A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 VanDerWaalsContact O-CG 3.29Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 3.5Å; A79-L305 HydrophobicContact CB-CD1 4.03Å; A79-K307 HydrophobicContact CB-CB 4.2Å; A79-K307 HydrophobicContact CB-CD 3.54Å
80L98.5Very high97.6Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-61.1-41.8175.1-68.5159.6000111.6L29 L73 E76 L77 D82 E83 L84 L305 Y313L29-L80 HydrophobicContact CD2-CD2 4.27Å; L29-L80 WeakPolarHBondContact O-CD1 3.3Å; L29-L80 WeakPolarHBondContact O-CD2 3.29Å; L73-L80 HydrophobicContact CD1-CD2 4.18Å; L73-L80 HydrophobicContact CD2-CD2 4.3Å; L73-L80 HydrophobicContact CG-CD1 4.45Å; L73-L80 HydrophobicContact CG-CD2 4.21Å; E76-L80 WeakPolarHBondContact O-CG 3.17Å; E76-L80 PolarHBondContact O-N 3.22Å; L77-L80 HydrophobicContact CD2-CD1 4.32Å; L80-D82 PolarHBondContact O-N 2.99Å; L80-E83 WeakPolarHBondContact O-CB 3.49Å; L80-E83 PolarHBondContact O-N 3.37Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.22Å; L80-L84 PolarHBondContact O-N 3.4Å; L80-L305 HydrophobicContact CD2-CD1 4.49Å; L80-L305 HydrophobicContact CD2-CD2 4.19Å; L80-Y313 HydrophobicContact CD2-CE2 4.18Å; L80-Y313 WeakPolarHBondContact CD2-OH 3.46Å
81R98.8Very high97.7Very high107 Ų10750.8 Ų50.840%0.40427%0.266SS..Hα-helixtrans-59-47.2173.5-175.2-173.7177.7-169.34.5111.6L77 S78 A79 E83 L84 L85 L113 D116 T117L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 2.85Å; S78-R81 PolarHBondContact O-N 3.4Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; R81-E83 VanDerWaalsContact C-N 3.34Å; R81-E83 PolarHBondContact O-N 2.92Å; R81-L84 PolarHBondContact O-N 3.46Å; R81-L85 HydrophobicContact CG-CD1 4.38Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 2.85Å; R81-L113 HydrophobicContact CB-CD2 3.9Å; R81-D116 HydrophobicContact CG-CB 4.47Å; R81-T117 HydrophobicContact CG-CG2 3.99Å
82D98.8Very high97.8Very high95 Ų9550.8 Ų50.851%0.50827%0.266SS..Hα-helixtrans-64.4-39.7-179.9-68.2-24.3000111.9S78 A79 L80 L85 A86S78-D82 PolarHBondContact O-N 3.17Å; S78-D82 VanDerWaalsContact O-N 3.12Å; A79-D82 PolarHBondContact O-N 3.38Å; L80-D82 PolarHBondContact O-N 2.99Å; D82-L85 PolarHBondContact O-N 3.37Å; D82-A86 WeakPolarHBondContact O-CB 3.23Å; D82-A86 PolarHBondContact O-N 2.8Å
83E98.8Very high98Very high4 Ų448.8 Ų48.82%0.01926%0.258CS..Hα-helixtrans-59.3-47.1172.9-80.5-66.8161.500112.7A79 L80 R81 L85 A86 Y87 L305 T306 G312 Y313A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 VanDerWaalsContact O-CG 3.29Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 3.5Å; L80-E83 WeakPolarHBondContact O-CB 3.49Å; L80-E83 PolarHBondContact O-N 3.37Å; R81-E83 VanDerWaalsContact C-N 3.34Å; R81-E83 PolarHBondContact O-N 2.92Å; E83-L85 PolarHBondContact O-N 3.25Å; E83-A86 CarbonylContact O-C 3.47Å; E83-A86 WeakPolarHBondContact O-CB 3.47Å; E83-A86 PolarHBondContact O-N 3.34Å; E83-Y87 WeakPolarHBondContact O-CB 3.36Å; E83-Y87 PolarHBondContact O-N 3.13Å; E83-L305 HydrophobicContact CG-CD2 4.18Å; E83-T306 WeakPolarHBondContact OE1-CA 3.31Å; E83-T306 WeakPolarHBondContact OE1-CB 3.28Å; E83-T306 VanDerWaalsContact OE1-CG2 3.24Å; E83-T306 WeakPolarHBondContact OE1-CG2 3.3Å; E83-T306 PolarHBondContact OE1-N 2.78Å; E83-T306 PolarHBondContact OE1-OG1 3.03Å; E83-G312 VanDerWaalsContact OE2-CA 3.28Å; E83-G312 WeakPolarHBondContact OE2-CA 3.5Å; E83-Y313 HydrophobicContact CB-CD2 3.64Å; E83-Y313 HydrophobicContact CB-CE2 3.95Å; E83-Y313 HydrophobicContact CG-CD2 3.97Å; E83-Y313 HydrophobicContact CG-CE2 4.1Å; E83-Y313 PolarHBondContact OE2-N 3.15Å
84L98.9Very high98.1Very high0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-66.1-37178.4-70.1179.4000112L29 L80 R81 A86 Y87 R88 I95 L113 T117 V119 I121L29-L84 HydrophobicContact CD1-CD1 4.35Å; L29-L84 HydrophobicContact CD2-CD1 4.4Å; L29-L84 HydrophobicContact CD2-CD2 4.01Å; L29-L84 HydrophobicContact CD2-CG 4.41Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.22Å; L80-L84 PolarHBondContact O-N 3.4Å; R81-L84 PolarHBondContact O-N 3.46Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-Y87 PolarHBondContact O-N 2.82Å; L84-R88 WeakPolarHBondContact O-CB 3.17Å; L84-R88 PolarHBondContact O-N 3.26Å; L84-I95 HydrophobicContact CD2-CD1 3.37Å; L84-L113 HydrophobicContact CD1-CB 3.89Å; L84-L113 HydrophobicContact CD1-CD1 4.34Å; L84-L113 HydrophobicContact CD1-CD2 4.26Å; L84-L113 HydrophobicContact CD1-CG 4.4Å; L84-T117 HydrophobicContact CB-CG2 3.55Å; L84-T117 HydrophobicContact CD1-CG2 4.07Å; L84-T117 HydrophobicContact CG-CG2 4.47Å; L84-V119 HydrophobicContact CB-CG2 4.35Å; L84-I121 HydrophobicContact CD1-CD1 4.21Å
85L98.9Very high98.3Very high71 Ų7147 Ų4737%0.37225%0.245SC..Hα-helixtrans-63.4-41.1171.4-71.5170.9000111.4R81 D82 E83 R88 K89 T117R81-L85 HydrophobicContact CG-CD1 4.38Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 2.85Å; D82-L85 PolarHBondContact O-N 3.37Å; E83-L85 PolarHBondContact O-N 3.25Å; L85-R88 PolarHBondContact O-N 2.92Å; L85-K89 WeakPolarHBondContact O-CB 3.27Å; L85-K89 PolarHBondContact O-N 3.33Å; L85-T117 HydrophobicContact CD2-CG2 4.41Å; L85-T117 HydrophobicContact CG-CG2 4.23Å
86A98.8Very high98.5Very high34 Ų3441.3 Ų41.328%0.28122%0.218SC..Hα-helixtrans-65.3-41.2175.400000112D82 E83 L84 K89 A90 S314D82-A86 WeakPolarHBondContact O-CB 3.23Å; D82-A86 PolarHBondContact O-N 2.8Å; E83-A86 CarbonylContact O-C 3.47Å; E83-A86 WeakPolarHBondContact O-CB 3.47Å; E83-A86 PolarHBondContact O-N 3.34Å; L84-A86 VanDerWaalsContact C-N 3.34Å; A86-K89 PolarHBondContact O-N 3.35Å; A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 2.95Å; A86-S314 VanDerWaalsContact C-OG 3.31Å; A86-S314 PolarHBondContact O-OG 2.9Å
87Y98.9Very high98.6Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-60.8-48.8173.9174.3-110.7000111.3R22 M24 E83 L84 K89 A90 G91 G92 T94 I95 V119 Y313 S314 L317R22-Y87 PolarHBondContact O-OH 2.94Å; M24-Y87 HydrophobicContact CE-CE2 4.43Å; M24-Y87 HydrophobicContact CG-CE2 3.67Å; M24-Y87 HydrophobicContact SD-CE2 4.23Å; E83-Y87 WeakPolarHBondContact O-CB 3.36Å; E83-Y87 PolarHBondContact O-N 3.13Å; L84-Y87 PolarHBondContact O-N 2.82Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.68Å; Y87-A90 WeakPolarHBondContact O-CA 3.19Å; Y87-A90 WeakPolarHBondContact O-CB 3.3Å; Y87-A90 PolarHBondContact O-N 3.48Å; Y87-G91 PolarHBondContact O-N 3.12Å; Y87-G92 WeakPolarHBondContact O-CA 3.49Å; Y87-G92 PolarHBondContact O-N 3.37Å; Y87-T94 PolarHBondContact OH-O 3.43Å; Y87-T94 VanDerWaalsContact OH-O 3.1Å; Y87-I95 HydrophobicContact CD1-CD1 4.15Å; Y87-I95 HydrophobicContact CD1-CG1 4.29Å; Y87-I95 HydrophobicContact CE1-CD1 4.22Å; Y87-I95 HydrophobicContact CE1-CG1 3.86Å; Y87-V119 HydrophobicContact CD1-CG1 4.14Å; Y87-V119 HydrophobicContact CD1-CG2 4.08Å; Y87-V119 HydrophobicContact CE1-CG1 4.1Å; Y87-Y313 VanDerWaalsContact CD2-O 3.29Å; Y87-Y313 WeakPolarHBondContact CD2-O 3.32Å; Y87-S314 WeakPolarHBondContact CA-OG 3.4Å; Y87-S314 PolarHBondContact N-OG 3.49Å; Y87-L317 HydrophobicContact CD2-CD1 3.97Å; Y87-L317 HydrophobicContact CE2-CD1 3.66Å; Y87-L317 HydrophobicContact CE2-CG 4.3Å
88R98.8Very high98.6Very high114 Ų11436.8 Ų36.843%0.4320%0.195SC..Hα-helixtrans-58-45.6175.5-172.955.9168.8176.1-5111.7L84 L85 A90 G91 G92 V119L84-R88 WeakPolarHBondContact O-CB 3.17Å; L84-R88 PolarHBondContact O-N 3.26Å; L85-R88 PolarHBondContact O-N 2.92Å; R88-A90 VanDerWaalsContact C-N 3.26Å; R88-A90 PolarHBondContact O-N 3.22Å; R88-G91 PolarHBondContact O-N 3.48Å; R88-G92 WeakPolarHBondContact CD-O 3.34Å; R88-G92 PolarHBondContact NH1-O 2.96Å; R88-V119 HydrophobicContact CB-CG2 3.86Å; R88-V119 HydrophobicContact CG-CG2 4.44Å
89K98.7Very high98.6Very high193 Ų19332.8 Ų32.884%0.83917%0.167SC*.Hα-helixtrans-62.1-31.8176.3-176178.6179-179.80112.7L85 A86 Y87 G91L85-K89 WeakPolarHBondContact O-CB 3.27Å; L85-K89 PolarHBondContact O-N 3.33Å; A86-K89 PolarHBondContact O-N 3.35Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.68Å; K89-G91 PolarHBondContact O-N 3.32Å
90A98.6Very high98.6Very high28 Ų2832.6 Ų32.623%0.23117%0.165CC..THydrogen-bonded Turntrans-75.9-0.1174.200000113.5A86 Y87 R88 L317 K318A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 2.95Å; Y87-A90 WeakPolarHBondContact O-CA 3.19Å; Y87-A90 WeakPolarHBondContact O-CB 3.3Å; Y87-A90 PolarHBondContact O-N 3.48Å; R88-A90 VanDerWaalsContact C-N 3.26Å; R88-A90 PolarHBondContact O-N 3.22Å; A90-L317 HydrophobicContact CB-CB 4.34Å; A90-L317 HydrophobicContact CB-CD1 4.12Å; A90-K318 HydrophobicContact CB-CG 4.41Å
91G98.5Very high98.4Very high35 Ų3535 Ų3536%0.36118%0.177SC..THydrogen-bonded Turntrans92.815.1-178.200000113.9Y87 R88 K89Y87-G91 PolarHBondContact O-N 3.12Å; R88-G91 PolarHBondContact O-N 3.48Å; K89-G91 PolarHBondContact O-N 3.32Å
92G98.8Very high98.2Very high0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-67.5140.9171.500000112.6Y87 R88Y87-G92 WeakPolarHBondContact O-CA 3.49Å; Y87-G92 PolarHBondContact O-N 3.37Å; R88-G92 WeakPolarHBondContact CD-O 3.34Å; R88-G92 PolarHBondContact NH1-O 2.96Å
93G98.8Very high98Very high2 Ų227.1 Ų27.12%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-114.2-51-176.300000113.2L20 R22 H120L20-G93 CarbonylContact O-C 3.59Å; L20-G93 VanDerWaalsContact O-C 3.24Å; L20-G93 WeakPolarHBondContact O-CA 3.46Å; R22-G93 WeakPolarHBondContact O-CA 3.21Å; R22-G93 PolarHBondContact O-N 3.1Å; G93-H120 PolarHBondContact O-N 2.98Å
94T98.9Very high97.8Very high0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-137.7146-170.8-57.60000111.6L20 R22 T23 M24 Y87 H120 I122L20-T94 VanDerWaalsContact CA-OG1 3.24Å; L20-T94 WeakPolarHBondContact CA-OG1 3.5Å; L20-T94 HydrophobicContact CD2-CG2 4.16Å; L20-T94 PolarHBondContact O-N 2.93Å; L20-T94 PolarHBondContact O-OG1 2.66Å; R22-T94 PolarHBondContact O-N 2.83Å; T23-T94 VanDerWaalsContact CA-O 3.29Å; T23-T94 WeakPolarHBondContact CA-O 3.3Å; T23-T94 HydrophobicContact CG2-CG2 3.95Å; M24-T94 PolarHBondContact N-O 3.32Å; Y87-T94 PolarHBondContact OH-O 3.43Å; Y87-T94 VanDerWaalsContact OH-O 3.1Å; T94-H120 CarbonylContact C-O 3.24Å; T94-H120 VanDerWaalsContact CA-O 3.28Å; T94-H120 WeakPolarHBondContact CA-O 3.22Å; T94-H120 HydrophobicContact CG2-CB 3.99Å; T94-H120 WeakPolarHBondContact OG1-CB 3.31Å; T94-I122 HydrophobicContact CG2-CD1 3.69Å; T94-I122 HydrophobicContact CG2-CG1 4.08Å
95I98.9Very high97.6Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-123.4134.1166.9-70.3-174.7000109.2M24 E27 L29 L84 Y87 V119 H120 I121 I122 Y313M24-I95 HydrophobicContact CB-CG1 4.33Å; E27-I95 HydrophobicContact CB-CG2 3.61Å; E27-I95 HydrophobicContact CG-CG2 3.79Å; L29-I95 HydrophobicContact CD1-CG2 4.42Å; L84-I95 HydrophobicContact CD2-CD1 3.37Å; Y87-I95 HydrophobicContact CD1-CD1 4.15Å; Y87-I95 HydrophobicContact CD1-CG1 4.29Å; Y87-I95 HydrophobicContact CE1-CD1 4.22Å; Y87-I95 HydrophobicContact CE1-CG1 3.86Å; I95-V119 HydrophobicContact CG1-CG1 4.23Å; I95-H120 PolarHBondContact N-O 3.45Å; I95-I121 WeakPolarHBondContact O-CA 3.47Å; I95-I122 PolarHBondContact O-N 3.26Å; I95-Y313 HydrophobicContact CD1-CD1 4.15Å
96V98.9Very high97.5Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-91.9118.9165.7-175.40000107.9T23 M24 T25 E27 I122 V166 W345 L346T23-V96 HydrophobicContact CG2-CG2 4.32Å; M24-V96 PolarHBondContact O-N 2.8Å; T25-V96 WeakPolarHBondContact O-CB 3.48Å; E27-V96 PolarHBondContact N-O 3.47Å; V96-I122 HydrophobicContact CG2-CB 4.44Å; V96-I122 HydrophobicContact CG2-CD1 4.35Å; V96-V166 HydrophobicContact CG1-CG1 3.81Å; V96-W345 HydrophobicContact CG1-CH2 4.32Å; V96-W345 HydrophobicContact CG2-CZ3 4.13Å; V96-L346 HydrophobicContact CG2-CD1 3.96Å; V96-L346 HydrophobicContact CG2-CD2 3.95Å
97E98.5Very high97.5Very high1 Ų131.1 Ų31.11%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-99.1109.8-177.5-152.4-69.815100108.2E27 H28 L29 T99 L110 I121 I122 G124E27-E97 WeakPolarHBondContact O-CA 3.5Å; H28-E97 WeakPolarHBondContact CA-OE1 3.24Å; L29-E97 HydrophobicContact CB-CG 3.95Å; L29-E97 HydrophobicContact CD1-CG 3.98Å; L29-E97 HydrophobicContact CG-CG 3.9Å; L29-E97 PolarHBondContact N-OE1 2.68Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.42Å; E97-T99 PolarHBondContact OE1-OG1 3.49Å; E97-T99 VanDerWaalsContact OE2-CB 3.29Å; E97-T99 WeakPolarHBondContact OE2-CB 3.44Å; E97-T99 PolarHBondContact OE2-N 2.84Å; E97-T99 PolarHBondContact OE2-OG1 2.97Å; E97-L110 HydrophobicContact CB-CD1 4.1Å; E97-L110 HydrophobicContact CG-CD1 3.82Å; E97-L110 HydrophobicContact CG-CD2 3.8Å; E97-L110 HydrophobicContact CG-CG 4.48Å; E97-I121 HydrophobicContact CB-CG2 4Å; E97-I122 PolarHBondContact N-O 3.48Å; E97-G124 PolarHBondContact O-N 2.77Å
98N98.1Very high97.4Very high0 Ų034.6 Ų34.60%019%0.189CC..  trans-96.113.2-170.1-75-36.8000113.5H26 E27 T100 E169 I199H26-N98 VanDerWaalsContact CA-ND2 3.26Å; H26-N98 WeakPolarHBondContact CA-ND2 3.34Å; H26-N98 WeakPolarHBondContact CB-ND2 3.47Å; H26-N98 PolarHBondContact CD2-ND2 3.4Å; E27-N98 PolarHBondContact O-N 2.94Å; N98-T100 PolarHBondContact O-N 2.84Å; N98-E169 HydrophobicContact CB-CB 4.02Å; N98-E169 HydrophobicContact CB-CG 4.19Å; N98-E169 WeakPolarHBondContact O-CG 3.37Å; N98-E169 PolarHBondContact O-N 2.92Å; N98-I199 WeakPolarHBondContact ND2-CD1 3.44Å; N98-I199 WeakPolarHBondContact OD1-CG2 3.32Å
99T97.9Very high97.4Very high0 Ų029.7 Ų29.70%017%0.173CC..  trans-73.5115.9177.4-52.10000109H28 M31 E97 I103 R105H28-T99 PolarHBondContact ND1-OG1 3.5Å; M31-T99 HydrophobicContact CB-CG2 3.47Å; M31-T99 VanDerWaalsContact CB-CG2 3.47Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.42Å; E97-T99 PolarHBondContact OE1-OG1 3.49Å; E97-T99 VanDerWaalsContact OE2-CB 3.29Å; E97-T99 WeakPolarHBondContact OE2-CB 3.44Å; E97-T99 PolarHBondContact OE2-N 2.84Å; E97-T99 PolarHBondContact OE2-OG1 2.97Å; T99-I103 HydrophobicContact CG2-CB 4.24Å; T99-I103 HydrophobicContact CG2-CD1 3.9Å; T99-I103 HydrophobicContact CG2-CG1 3.67Å; T99-I103 WeakPolarHBondContact CG2-O 3.45Å; T99-R105 HydrophobicContact CG2-CB 3.65Å; T99-R105 VanDerWaalsContact O-CB 3.26Å; T99-R105 WeakPolarHBondContact O-CB 3.42Å; T99-R105 WeakPolarHBondContact O-CD 3.46Å
100T96.3Very high97.4Very high0 Ų020.5 Ų20.50%013%0.133CC..  trans-114.2-172.8-177.158.50000112.4N98 G102 I103 G126 G168 E169N98-T100 PolarHBondContact O-N 2.84Å; T100-G102 PolarHBondContact O-N 3.27Å; T100-I103 WeakPolarHBondContact O-CG1 3.29Å; T100-I103 PolarHBondContact O-N 3.34Å; T100-G126 WeakPolarHBondContact CB-O 3.31Å; T100-G168 WeakPolarHBondContact CG2-O 3.4Å; T100-E169 PolarHBondContact OG1-O 3.31Å
101M95.6Very high97.4Very high51 Ų5121.9 Ų21.925%0.25113%0.133SC..BIsolated β-bridgetrans-59.9126.4174.1-70.9-177.1-88.500110.6G126 Y127 Y128 E152M101-G126 WeakPolarHBondContact CB-O 3.42Å; M101-G126 VanDerWaalsContact CE-O 3.29Å; M101-G126 WeakPolarHBondContact CE-O 3.42Å; M101-G126 PolarHBondContact N-O 3.11Å; M101-G126 VanDerWaalsContact N-O 3.09Å; M101-Y127 HydrophobicContact CB-CD1 3.89Å; M101-Y127 HydrophobicContact CB-CE1 4.31Å; M101-Y127 HydrophobicContact CE-CD1 3.85Å; M101-Y127 HydrophobicContact CE-CD2 4.13Å; M101-Y127 HydrophobicContact CE-CE1 3.35Å; M101-Y127 HydrophobicContact CE-CE2 3.64Å; M101-Y127 HydrophobicContact CE-CG 4.21Å; M101-Y127 WeakPolarHBondContact CE-OH 3.46Å; M101-Y127 HydrophobicContact SD-CD1 4.12Å; M101-Y127 HydrophobicContact SD-CE1 3.56Å; M101-Y127 VanDerWaalsContact SD-CE1 3.56Å; M101-Y128 PolarHBondContact O-N 2.86Å; M101-Y128 VanDerWaalsContact O-N 3.1Å; M101-E152 WeakPolarHBondContact CE-OE1 3.15Å
102G93.5Very high97.4Very high35 Ų3524.5 Ų24.536%0.36114%0.135SC..THydrogen-bonded Turntrans114.4-14.1-179.100000114.6T100T100-G102 PolarHBondContact O-N 3.27Å
103I95.2Very high97.4Very high1 Ų125 Ų251%0.00514%0.138CC..THydrogen-bonded Turntrans-133.126.3-177.448.9168.8000113.2M31 S32 F33 T99 T100 Y128M31-I103 WeakPolarHBondContact CA-O 3.08Å; M31-I103 WeakPolarHBondContact CB-O 3.48Å; M31-I103 HydrophobicContact CE-CB 4.13Å; M31-I103 HydrophobicContact CE-CD1 4.02Å; S32-I103 PolarHBondContact N-O 3.07Å; S32-I103 VanDerWaalsContact N-O 3.08Å; F33-I103 HydrophobicContact CD2-CG2 4.13Å; F33-I103 HydrophobicContact CE2-CG2 4.38Å; T99-I103 HydrophobicContact CG2-CB 4.24Å; T99-I103 HydrophobicContact CG2-CD1 3.9Å; T99-I103 HydrophobicContact CG2-CG1 3.67Å; T99-I103 WeakPolarHBondContact CG2-O 3.45Å; T100-I103 WeakPolarHBondContact O-CG1 3.29Å; T100-I103 PolarHBondContact O-N 3.34Å; I103-Y128 HydrophobicContact CD1-CD1 4.47Å; I103-Y128 HydrophobicContact CD1-CD2 4.42Å; I103-Y128 HydrophobicContact CD1-CG 4.25Å; I103-Y128 HydrophobicContact CG2-CD1 3.59Å; I103-Y128 HydrophobicContact CG2-CE1 4.06Å; I103-Y128 HydrophobicContact CG2-CG 4.25Å
104D93.6Very high97.4Very high105 Ų10525 Ų2556%0.56114%0.137SC*.THydrogen-bonded Turntrans59.954.3167.3-58.7-19000116.6S32S32-D104 WeakPolarHBondContact CB-OD2 3.4Å
105R94.8Very high97.4Very high24 Ų2430.8 Ų30.89%0.09116%0.163CC..  trans-65.5147.5171.875.5-176.8-179.8-160.9-15.1112.8T99 G124 E152 D158T99-R105 HydrophobicContact CG2-CB 3.65Å; T99-R105 VanDerWaalsContact O-CB 3.26Å; T99-R105 WeakPolarHBondContact O-CB 3.42Å; T99-R105 WeakPolarHBondContact O-CD 3.46Å; R105-G124 PolarHBondContact NH1-O 2.79Å; R105-E152 IonicContact CZ-OE1 2.68Å; R105-E152 IonicContact CZ-OE2 2.77Å; R105-E152 IonicContact NH1-OE1 2.84Å; R105-E152 IonicContact NH1-OE2 3.1Å; R105-E152 PolarHBondContact NH1-OE2 2.85Å; R105-E152 IonicContact NH2-OE1 3.49Å; R105-E152 PolarHBondContact NH2-OE1 3.01Å; R105-E152 IonicContact NH2-OE2 3.4Å; R105-E152 PolarHBondContact NH2-OE2 3.47Å; R105-D158 WeakPolarHBondContact CG-OD2 3.4Å; R105-D158 IonicContact CZ-OD1 2.96Å; R105-D158 IonicContact CZ-OD2 3.84Å; R105-D158 IonicContact NE-OD1 3.81Å; R105-D158 IonicContact NE-OD2 3.86Å; R105-D158 PolarHBondContact NE-OD2 2.98Å; R105-D158 IonicContact NH2-OD1 3.44Å; R105-D158 PolarHBondContact NH2-OD1 3.07Å; R105-D158 IonicContact NH2-OD2 3.72Å; R105-D158 PolarHBondContact NH2-OD2 3.12Å
106D97.4Very high97.4Very high64 Ų6433.6 Ų33.634%0.34218%0.178SC..  trans-129.790.3177.3-174.5-26.9000111.5V30 P108 A109 L110V30-D106 HydrophobicContact CB-CB 4.11Å; V30-D106 HydrophobicContact CG1-CB 3.53Å; D106-P108 WeakPolarHBondContact OD1-CD 3.46Å; D106-A109 HydrophobicContact CB-CB 3.95Å; D106-A109 VanDerWaalsContact CG-CB 3.43Å; D106-A109 PolarHBondContact O-N 2.9Å; D106-A109 WeakPolarHBondContact OD1-CB 3.47Å; D106-A109 PolarHBondContact OD1-N 3.2Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 3.44Å
107L98.1Very high97.4Very high1 Ų134.1 Ų34.11%0.00518%0.181CC..Hα-helixtrans-62.7-39.5-176.7-54.6177.1000114.1A109 L110 R111 A123 A157 D158 V162L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.8Å; L107-L110 HydrophobicContact CD2-CD1 4.19Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.49Å; L107-A123 HydrophobicContact CD2-CB 3.76Å; L107-A157 HydrophobicContact CD1-CB 3.51Å; L107-A157 WeakPolarHBondContact CD1-O 3.1Å; L107-D158 HydrophobicContact CD1-CB 4.25Å; L107-V162 HydrophobicContact CB-CB 3.87Å; L107-V162 HydrophobicContact CB-CG1 4.03Å; L107-V162 HydrophobicContact CB-CG2 3.89Å; L107-V162 HydrophobicContact CD1-CB 4.02Å; L107-V162 HydrophobicContact CD1-CG1 4.29Å; L107-V162 HydrophobicContact CD2-CG1 4.31Å; L107-V162 HydrophobicContact CG-CB 4.46Å; L107-V162 HydrophobicContact CG-CG1 4.45Å
108P98.3Very high97.4Very high73 Ų7335.9 Ų35.947%0.47420%0.199SC..Hα-helixtrans-55.8-44.5170.8-28.135.7000113.5D106 R111 Q112 T160D106-P108 WeakPolarHBondContact OD1-CD 3.46Å; P108-R111 PolarHBondContact O-N 3Å; P108-Q112 PolarHBondContact O-N 2.58Å; P108-T160 HydrophobicContact CG-CG2 4.04Å
109A98.3Very high97.4Very high11 Ų1136 Ų369%0.09120%0.2CC..Hα-helixtrans-64.8-43.6177.100000111.6V30 L77 D106 L107 R111 Q112 L113V30-A109 HydrophobicContact CG1-CB 4.49Å; V30-A109 HydrophobicContact CG2-CB 3.99Å; L77-A109 HydrophobicContact CD2-CB 4.1Å; D106-A109 HydrophobicContact CB-CB 3.95Å; D106-A109 VanDerWaalsContact CG-CB 3.43Å; D106-A109 PolarHBondContact O-N 2.9Å; D106-A109 WeakPolarHBondContact OD1-CB 3.47Å; D106-A109 PolarHBondContact OD1-N 3.2Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.8Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.82Å; A109-Q112 PolarHBondContact O-N 2.99Å; A109-Q112 VanDerWaalsContact O-N 3.13Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 2.84Å
110L98.6Very high97.5Very high0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-58.4-44.4175-62.5-170.9000111.9V11 L29 V30 E97 D106 L107 Q112 L113 A114 I121 A123V11-L110 HydrophobicContact CG1-CB 4.19Å; L29-L110 HydrophobicContact CB-CD2 3.73Å; L29-L110 HydrophobicContact CD1-CD2 4Å; L29-L110 HydrophobicContact CG-CD2 4.47Å; V30-L110 HydrophobicContact CB-CD2 4.41Å; V30-L110 HydrophobicContact CG2-CD2 4Å; E97-L110 HydrophobicContact CB-CD1 4.1Å; E97-L110 HydrophobicContact CG-CD1 3.82Å; E97-L110 HydrophobicContact CG-CD2 3.8Å; E97-L110 HydrophobicContact CG-CG 4.48Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 3.44Å; L107-L110 HydrophobicContact CD2-CD1 4.19Å; L107-L110 PolarHBondContact O-N 2.88Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.18Å; L110-L113 PolarHBondContact O-N 3.24Å; L110-A114 PolarHBondContact O-N 3.37Å; L110-I121 HydrophobicContact CB-CG2 4.28Å; L110-I121 HydrophobicContact CD1-CG2 4.35Å; L110-I121 WeakPolarHBondContact O-CD1 3.47Å; L110-A123 HydrophobicContact CD1-CB 4.17Å
111R98.7Very high97.6Very high57 Ų5737.8 Ų37.822%0.21521%0.208CC..Hα-helixtrans-60.2-40.8176.1178.6-178.2-75.8167-9.2111.8V11 L12 L107 P108 A109 K115 D161V11-R111 PolarHBondContact O-NE 3.27Å; L12-R111 HydrophobicContact CD2-CG 3.77Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.49Å; P108-R111 PolarHBondContact O-N 3Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.82Å; R111-K115 WeakPolarHBondContact O-CG 3.44Å; R111-K115 PolarHBondContact O-N 3.03Å; R111-D161 IonicContact CZ-OD1 2.58Å; R111-D161 IonicContact NH1-OD1 2.73Å; R111-D161 PolarHBondContact NH1-OD1 2.61Å; R111-D161 IonicContact NH1-OD2 3.55Å; R111-D161 VanDerWaalsContact NH2-CG 3.3Å; R111-D161 IonicContact NH2-OD1 2.56Å; R111-D161 PolarHBondContact NH2-OD1 3.29Å; R111-D161 IonicContact NH2-OD2 3.98Å
112Q98.7Very high97.8Very high90 Ų9035.3 Ų35.342%0.42120%0.196SC..Hα-helixtrans-68-45.4178.7-171.656.843.600111.4P108 A109 L110 A114 K115 D116P108-Q112 PolarHBondContact O-N 2.58Å; A109-Q112 PolarHBondContact O-N 2.99Å; A109-Q112 VanDerWaalsContact O-N 3.13Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.18Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 3.31Å; Q112-K115 PolarHBondContact O-N 3.26Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; Q112-D116 PolarHBondContact NE2-OD1 3.22Å; Q112-D116 PolarHBondContact NE2-OD2 3.41Å; Q112-D116 WeakPolarHBondContact O-CB 3.47Å; Q112-D116 VanDerWaalsContact O-CG 3.32Å; Q112-D116 PolarHBondContact O-N 3.42Å
113L98.8Very high98Very high9 Ų933.7 Ų33.75%0.04718%0.179CC..Hα-helixtrans-58-42.7175.3-72.8172000112L29 V30 R81 L84 A109 L110 K115 D116 T117 I121L29-L113 HydrophobicContact CB-CD1 4.45Å; V30-L113 HydrophobicContact CG2-CD1 4.18Å; R81-L113 HydrophobicContact CB-CD2 3.9Å; L84-L113 HydrophobicContact CD1-CB 3.89Å; L84-L113 HydrophobicContact CD1-CD1 4.34Å; L84-L113 HydrophobicContact CD1-CD2 4.26Å; L84-L113 HydrophobicContact CD1-CG 4.4Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 2.84Å; L110-L113 PolarHBondContact O-N 3.24Å; L113-K115 VanDerWaalsContact C-N 3.35Å; L113-K115 PolarHBondContact O-N 3.16Å; L113-D116 PolarHBondContact O-N 3.05Å; L113-T117 WeakPolarHBondContact O-CB 3.4Å; L113-T117 WeakPolarHBondContact O-CG2 3.43Å; L113-T117 PolarHBondContact O-N 2.86Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.34Å; L113-I121 HydrophobicContact CB-CD1 3.9Å
114A98.8Very high98.2Very high2 Ų233.7 Ų33.72%0.01718%0.179CC..Hα-helixtrans-60.4-43.3176.800000112V11 L12 L110 Q112 G118 I121V11-A114 HydrophobicContact CG2-CB 3.68Å; L12-A114 HydrophobicContact CD1-CB 3.85Å; L12-A114 HydrophobicContact CD2-CB 4.41Å; L12-A114 HydrophobicContact CG-CB 3.96Å; L110-A114 PolarHBondContact O-N 3.37Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 3.31Å; A114-G118 WeakPolarHBondContact O-CA 3.28Å; A114-G118 PolarHBondContact O-N 3.23Å; A114-I121 HydrophobicContact CB-CB 4.34Å; A114-I121 HydrophobicContact CB-CD1 3.97Å; A114-I121 HydrophobicContact CB-CG1 4.15Å
115K98.8Very high98.4Very high123 Ų12328.7 Ų28.754%0.53515%0.153SC..Hα-helixtrans-65.2-44.6177.1-70.4173.7-176.5177.10112.2L12 R111 Q112 L113 T117L12-K115 HydrophobicContact CD1-CG 4.24Å; L12-K115 HydrophobicContact CD2-CD 4.39Å; L12-K115 HydrophobicContact CD2-CG 3.75Å; R111-K115 WeakPolarHBondContact O-CG 3.44Å; R111-K115 PolarHBondContact O-N 3.03Å; Q112-K115 PolarHBondContact O-N 3.26Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; L113-K115 VanDerWaalsContact C-N 3.35Å; L113-K115 PolarHBondContact O-N 3.16Å; K115-T117 VanDerWaalsContact C-N 3.28Å; K115-T117 PolarHBondContact O-N 2.91Å
116D98.6Very high98.6Very high58 Ų5827.5 Ų27.531%0.3115%0.148SC..Hα-helixtrans-73.7-21.9-172.2-72.2-17.9000113.6R81 Q112 L113R81-D116 HydrophobicContact CG-CB 4.47Å; Q112-D116 PolarHBondContact NE2-OD1 3.22Å; Q112-D116 PolarHBondContact NE2-OD2 3.41Å; Q112-D116 WeakPolarHBondContact O-CB 3.47Å; Q112-D116 VanDerWaalsContact O-CG 3.32Å; Q112-D116 PolarHBondContact O-N 3.42Å; L113-D116 PolarHBondContact O-N 3.05Å
117T98.8Very high98.6Very high11 Ų1124.7 Ų24.77%0.06713%0.133CC..Hα-helixtrans-114.6-22.3-171.267.20000112.8R81 L84 L85 L113 K115 V119R81-T117 HydrophobicContact CG-CG2 3.99Å; L84-T117 HydrophobicContact CB-CG2 3.55Å; L84-T117 HydrophobicContact CD1-CG2 4.07Å; L84-T117 HydrophobicContact CG-CG2 4.47Å; L85-T117 HydrophobicContact CD2-CG2 4.41Å; L85-T117 HydrophobicContact CG-CG2 4.23Å; L113-T117 WeakPolarHBondContact O-CB 3.4Å; L113-T117 WeakPolarHBondContact O-CG2 3.43Å; L113-T117 PolarHBondContact O-N 2.86Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.34Å; K115-T117 VanDerWaalsContact C-N 3.28Å; K115-T117 PolarHBondContact O-N 2.91Å; T117-V119 PolarHBondContact O-N 3.47Å; T117-V119 PolarHBondContact OG1-N 2.91Å
118G98.6Very high98.6Very high38 Ų3824.9 Ų24.939%0.39213%0.133SC..  trans69.912.8-173.600000113.9A114A114-G118 WeakPolarHBondContact O-CA 3.28Å; A114-G118 PolarHBondContact O-N 3.23Å
119V98.9Very high98.6Very high2 Ų222.4 Ų22.41%0.01212%0.116CC..  trans-83.2133.1169.4178.20000108.3L84 Y87 R88 I95 T117 I121L84-V119 HydrophobicContact CB-CG2 4.35Å; Y87-V119 HydrophobicContact CD1-CG1 4.14Å; Y87-V119 HydrophobicContact CD1-CG2 4.08Å; Y87-V119 HydrophobicContact CE1-CG1 4.1Å; R88-V119 HydrophobicContact CB-CG2 3.86Å; R88-V119 HydrophobicContact CG-CG2 4.44Å; I95-V119 HydrophobicContact CG1-CG1 4.23Å; T117-V119 PolarHBondContact O-N 3.47Å; T117-V119 PolarHBondContact OG1-N 2.91Å; V119-I121 PolarHBondContact O-N 3.45Å
120H98.9Very high98.5Very high38 Ų3823.7 Ų23.718%0.17612%0.121CC..EExtended strand (participates in β ladder)trans-70.5130170.7-65.4-61000109.3T10 Q19 G93 T94 I95T10-H120 HydrophobicContact CG2-CB 4.14Å; Q19-H120 PolarHBondContact O-NE2 3.29Å; G93-H120 PolarHBondContact O-N 2.98Å; T94-H120 CarbonylContact C-O 3.24Å; T94-H120 VanDerWaalsContact CA-O 3.28Å; T94-H120 WeakPolarHBondContact CA-O 3.22Å; T94-H120 HydrophobicContact CG2-CB 3.99Å; T94-H120 WeakPolarHBondContact OG1-CB 3.31Å; I95-H120 PolarHBondContact N-O 3.45Å
121I98.9Very high98.4Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-116.3127175.3-60.7174000108.2T10 V11 L29 L84 I95 E97 L110 L113 A114 V119T10-I121 CarbonylContact C-O 3.52Å; T10-I121 VanDerWaalsContact CA-O 3.29Å; T10-I121 WeakPolarHBondContact CA-O 3.26Å; T10-I121 WeakPolarHBondContact CB-O 3.44Å; V11-I121 HydrophobicContact CG1-CB 4.49Å; V11-I121 HydrophobicContact CG1-CG2 4.19Å; V11-I121 HydrophobicContact CG2-CB 3.93Å; V11-I121 HydrophobicContact CG2-CG2 4.45Å; V11-I121 PolarHBondContact N-O 3.18Å; L29-I121 HydrophobicContact CD1-CD1 3.65Å; L29-I121 HydrophobicContact CD1-CG1 4.16Å; L29-I121 HydrophobicContact CD1-CG2 4.19Å; L84-I121 HydrophobicContact CD1-CD1 4.21Å; I95-I121 WeakPolarHBondContact O-CA 3.47Å; E97-I121 HydrophobicContact CB-CG2 4Å; L110-I121 HydrophobicContact CB-CG2 4.28Å; L110-I121 HydrophobicContact CD1-CG2 4.35Å; L110-I121 WeakPolarHBondContact O-CD1 3.47Å; L113-I121 HydrophobicContact CB-CD1 3.9Å; A114-I121 HydrophobicContact CB-CB 4.34Å; A114-I121 HydrophobicContact CB-CD1 3.97Å; A114-I121 HydrophobicContact CB-CG1 4.15Å; V119-I121 PolarHBondContact O-N 3.45Å
122I98.9Very high98.3Very high0 Ų026.4 Ų26.40%015%0.147CC..EExtended strand (participates in β ladder)trans-108.3113.6176.5-63.3172000107V8 T10 L20 T94 I95 V96 E97 V166 L346V8-I122 HydrophobicContact CG1-CD1 3.49Å; V8-I122 VanDerWaalsContact CG1-CD1 3.49Å; V8-I122 HydrophobicContact CG1-CG1 4.24Å; T10-I122 HydrophobicContact CG2-CG1 4.29Å; L20-I122 HydrophobicContact CD2-CD1 4.49Å; T94-I122 HydrophobicContact CG2-CD1 3.69Å; T94-I122 HydrophobicContact CG2-CG1 4.08Å; I95-I122 PolarHBondContact O-N 3.26Å; V96-I122 HydrophobicContact CG2-CB 4.44Å; V96-I122 HydrophobicContact CG2-CD1 4.35Å; E97-I122 PolarHBondContact N-O 3.48Å; I122-V166 HydrophobicContact CG2-CB 4.46Å; I122-V166 HydrophobicContact CG2-CG1 4.3Å; I122-L346 HydrophobicContact CD1-CD1 3.64Å; I122-L346 HydrophobicContact CD1-CD2 3.99Å; I122-L346 HydrophobicContact CD1-CG 4.28Å
123A98.8Very high98.2Very high1 Ų122.6 Ų22.61%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-83.2143.9-179.800000112V11 L107 L110 C164 G165 V166V11-A123 HydrophobicContact CG1-CB 3.78Å; L107-A123 HydrophobicContact CD2-CB 3.76Å; L110-A123 HydrophobicContact CD1-CB 4.17Å; A123-C164 CarbonylContact O-C 3.58Å; A123-C164 VanDerWaalsContact O-CA 3.27Å; A123-C164 WeakPolarHBondContact O-CA 3.34Å; A123-C164 WeakPolarHBondContact O-CB 3.42Å; A123-G165 PolarHBondContact O-N 2.88Å; A123-V166 PolarHBondContact O-N 2.92Å
124G98.4Very high98.1Very high0 Ų026 Ų260%015%0.151CC..EExtended strand (participates in β ladder)trans-85.7138.817700000114.9E97 R105 C164 G168E97-G124 PolarHBondContact O-N 2.77Å; R105-G124 PolarHBondContact NH1-O 2.79Å; G124-C164 PolarHBondContact O-SG 2.9Å; G124-C164 VanDerWaalsContact O-SG 3.42Å; G124-G168 CarbonylContact C-O 3.59Å; G124-G168 WeakPolarHBondContact CA-O 3.46Å
125A98.6Very high98Very high0 Ų031.5 Ų31.50%018%0.176CC..EExtended strand (participates in β ladder)trans-102.4157.6171.400000112.4E152 V153 C164 V166 I167 G168A125-E152 WeakPolarHBondContact CA-OE2 3.29Å; A125-E152 HydrophobicContact CB-CB 3.89Å; A125-E152 WeakPolarHBondContact CB-OE2 3.29Å; A125-V153 HydrophobicContact CB-CG2 4.25Å; A125-C164 HydrophobicContact CB-CB 3.61Å; A125-V166 PolarHBondContact N-O 3.09Å; A125-I167 CarbonylContact O-C 3.32Å; A125-G168 WeakPolarHBondContact O-CA 3.31Å; A125-G168 PolarHBondContact O-N 3.34Å
126G98.1Very high97.9Very high0 Ų028.6 Ų28.60%018%0.175CC..SBendtrans106.4-152.517100000114.3T100 M101 E152T100-G126 WeakPolarHBondContact CB-O 3.31Å; M101-G126 WeakPolarHBondContact CB-O 3.42Å; M101-G126 VanDerWaalsContact CE-O 3.29Å; M101-G126 WeakPolarHBondContact CE-O 3.42Å; M101-G126 PolarHBondContact N-O 3.11Å; M101-G126 VanDerWaalsContact N-O 3.09Å; G126-E152 PolarHBondContact N-OE2 2.79Å; G126-E152 VanDerWaalsContact N-OE2 3.15Å
127Y98.4Very high97.8Very high4 Ų426.4 Ų26.42%0.01616%0.164CC..BIsolated β-bridgetrans-134.1142.4-166.7-54.4-97000110.9M101 T137 L145 N148 I149 I170 G171 V183M101-Y127 HydrophobicContact CB-CD1 3.89Å; M101-Y127 HydrophobicContact CB-CE1 4.31Å; M101-Y127 HydrophobicContact CE-CD1 3.85Å; M101-Y127 HydrophobicContact CE-CD2 4.13Å; M101-Y127 HydrophobicContact CE-CE1 3.35Å; M101-Y127 HydrophobicContact CE-CE2 3.64Å; M101-Y127 HydrophobicContact CE-CG 4.21Å; M101-Y127 WeakPolarHBondContact CE-OH 3.46Å; M101-Y127 HydrophobicContact SD-CD1 4.12Å; M101-Y127 HydrophobicContact SD-CE1 3.56Å; M101-Y127 VanDerWaalsContact SD-CE1 3.56Å; Y127-T137 HydrophobicContact CD1-CG2 3.61Å; Y127-T137 HydrophobicContact CE1-CG2 3.69Å; Y127-T137 HydrophobicContact CG-CG2 4.37Å; Y127-L145 HydrophobicContact CD2-CD2 4.16Å; Y127-L145 HydrophobicContact CE1-CD2 4.21Å; Y127-L145 HydrophobicContact CE2-CD2 3.52Å; Y127-N148 PolarHBondContact OH-ND2 2.87Å; Y127-I149 HydrophobicContact CE2-CD1 4.42Å; Y127-I149 HydrophobicContact CE2-CG1 4.22Å; Y127-I170 WeakPolarHBondContact O-CA 3.49Å; Y127-G171 PolarHBondContact O-N 2.86Å; Y127-V183 HydrophobicContact CD2-CG1 4.09Å; Y127-V183 HydrophobicContact CD2-CG2 4.26Å; Y127-V183 HydrophobicContact CG-CG2 4.38Å
128Y98.1Very high97.7Very high5 Ų529.3 Ų29.32%0.0218%0.175CC..  trans-81.2-149.3178-162-130000112.2F33 M101 I103 T132 H133 E169 G171 H201F33-Y128 AromaticContact CE2-CE1 3.78Å; F33-Y128 HydrophobicContact CE2-CE1 3.78Å; F33-Y128 HydrophobicContact CZ-CE1 4.47Å; M101-Y128 PolarHBondContact O-N 2.86Å; M101-Y128 VanDerWaalsContact O-N 3.1Å; I103-Y128 HydrophobicContact CD1-CD1 4.47Å; I103-Y128 HydrophobicContact CD1-CD2 4.42Å; I103-Y128 HydrophobicContact CD1-CG 4.25Å; I103-Y128 HydrophobicContact CG2-CD1 3.59Å; I103-Y128 HydrophobicContact CG2-CE1 4.06Å; I103-Y128 HydrophobicContact CG2-CG 4.25Å; Y128-T132 HydrophobicContact CD1-CG2 4Å; Y128-H133 PolarHBondContact O-NE2 2.93Å; Y128-E169 HydrophobicContact CD2-CG 3.77Å; Y128-E169 HydrophobicContact CE2-CG 3.81Å; Y128-E169 WeakPolarHBondContact CE2-OE1 3.33Å; Y128-E169 WeakPolarHBondContact CE2-OE2 3.47Å; Y128-G171 VanDerWaalsContact C-CA 3.46Å; Y128-G171 WeakPolarHBondContact O-CA 3.41Å; Y128-H201 HydrophobicContact CE2-CB 4.17Å; Y128-H201 AromaticContact CE2-CG 3.82Å; Y128-H201 AromaticContact CE2-ND1 3.69Å; Y128-H201 AromaticContact CZ-CE1 3.98Å; Y128-H201 AromaticContact CZ-ND1 3.96Å; Y128-H201 PolarHBondContact OH-CE1 3.33Å; Y128-H201 PolarHBondContact OH-ND1 2.96Å
129I97.4Very high97.7Very high22 Ų2235.3 Ų35.311%0.11319%0.191CC..  trans-78.4162.4-173.362.6176.9000112.4C131 T132I129-C131 VanDerWaalsContact C-N 3.27Å; I129-C131 WeakPolarHBondContact CD1-SG 3.48Å; I129-C131 VanDerWaalsContact CG1-SG 3.55Å; I129-C131 PolarHBondContact O-N 3.39Å; I129-C131 VanDerWaalsContact O-N 3.1Å; I129-T132 HydrophobicContact CG1-CG2 4.12Å; I129-T132 PolarHBondContact O-N 3.41Å; I129-T132 PolarHBondContact O-OG1 2.84Å
130D97.1Very high97.6Very high37 Ų3737.4 Ų37.420%0.19820%0.201CC..G310 helixtrans-56.5-33.3-171.9-170.345.8000115.6T132 H133 K138 T177 S179 E180D130-T132 PolarHBondContact O-N 3.24Å; D130-T132 VanDerWaalsContact O-N 3.17Å; D130-H133 WeakPolarHBondContact CA-ND1 3.21Å; D130-H133 WeakPolarHBondContact O-CB 3.26Å; D130-H133 PolarHBondContact O-N 3.13Å; D130-H133 VanDerWaalsContact O-N 3.08Å; D130-H133 IonicContact OD1-CG 3.58Å; D130-H133 IonicContact OD1-ND1 3.69Å; D130-H133 PolarHBondContact OD1-ND1 3.06Å; D130-K138 VanDerWaalsContact OD1-CE 3.28Å; D130-K138 WeakPolarHBondContact OD1-CE 2.92Å; D130-T177 HydrophobicContact CB-CG2 3.93Å; D130-T177 WeakPolarHBondContact CB-OG1 3.38Å; D130-S179 WeakPolarHBondContact OD1-CB 3.5Å; D130-E180 HydrophobicContact CB-CG 3.95Å; D130-E180 PolarHBondContact N-OE1 3.46Å
131C95.5Very high97.6Very high92 Ų9238.2 Ų38.262%0.62221%0.211SC*.G310 helixtrans-66.3-17.2178.769.30000113.2I129I129-C131 VanDerWaalsContact C-N 3.27Å; I129-C131 WeakPolarHBondContact CD1-SG 3.48Å; I129-C131 VanDerWaalsContact CG1-SG 3.55Å; I129-C131 PolarHBondContact O-N 3.39Å; I129-C131 VanDerWaalsContact O-N 3.1Å
132T96.7Very high97.6Very high22 Ų2239.2 Ų39.214%0.13522%0.217CC..G310 helixtrans-95.7-10.2175.772.60000113.2C35 Y128 I129 D130 T134C35-T132 HydrophobicContact CB-CG2 4.06Å; Y128-T132 HydrophobicContact CD1-CG2 4Å; I129-T132 HydrophobicContact CG1-CG2 4.12Å; I129-T132 PolarHBondContact O-N 3.41Å; I129-T132 PolarHBondContact O-OG1 2.84Å; D130-T132 PolarHBondContact O-N 3.24Å; D130-T132 VanDerWaalsContact O-N 3.17Å; T132-T134 PolarHBondContact O-N 2.95Å
133H97.1Very high97.6Very high10 Ų1045 Ų455%0.04624%0.244CC..  trans-71.9121.4178.2-66.4160.5000111.3Y128 D130 T137 K138 S179Y128-H133 PolarHBondContact O-NE2 2.93Å; D130-H133 WeakPolarHBondContact CA-ND1 3.21Å; D130-H133 WeakPolarHBondContact O-CB 3.26Å; D130-H133 PolarHBondContact O-N 3.13Å; D130-H133 VanDerWaalsContact O-N 3.08Å; D130-H133 IonicContact OD1-CG 3.58Å; D130-H133 IonicContact OD1-ND1 3.69Å; D130-H133 PolarHBondContact OD1-ND1 3.06Å; H133-T137 HydrophobicContact CB-CG2 4.1Å; H133-K138 HydrophobicContact CB-CG 3.9Å; H133-K138 WeakPolarHBondContact O-CE 3.33Å; H133-S179 PolarHBondContact ND1-OG 3.19Å
134T96.4Very high97.6Very high81 Ų8149.7 Ų49.750%0.49726%0.264SS..  trans-63.2160.617171.50000111.7T132 A136 T137 K138T132-T134 PolarHBondContact O-N 2.95Å; T134-A136 PolarHBondContact O-N 3.32Å; T134-A136 PolarHBondContact OG1-N 3.33Å; T134-T137 WeakPolarHBondContact O-CB 3.29Å; T134-T137 PolarHBondContact O-N 3.16Å; T134-T137 PolarHBondContact OG1-N 3.21Å; T134-T137 VanDerWaalsContact OG1-N 3.12Å; T134-T137 PolarHBondContact OG1-OG1 2.89Å; T134-K138 WeakPolarHBondContact O-CG 3.24Å; T134-K138 PolarHBondContact O-N 3.03Å
135E96.8Very high97.6Very high118 Ų11849.7 Ų49.755%0.55126%0.264SS*.Hα-helixtrans-56.2-31.8172-73-58.511800113K139E135-K139 WeakPolarHBondContact O-CD 3.23Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 2.93Å
136A96.4Very high97.6Very high61 Ų6150 Ų5050%0.50427%0.266SS..Hα-helixtrans-66.3-50.2174.600000110.5T134 K138 K139 M140T134-A136 PolarHBondContact O-N 3.32Å; T134-A136 PolarHBondContact OG1-N 3.33Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-K138 PolarHBondContact O-N 3.38Å; A136-K139 PolarHBondContact O-N 2.89Å; A136-K139 VanDerWaalsContact O-N 3.1Å; A136-M140 WeakPolarHBondContact O-CG 3.46Å; A136-M140 PolarHBondContact O-N 3.49Å; A136-M140 VanDerWaalsContact O-N 3.17Å
137T96.4Very high97.7Very high13 Ų1354.4 Ų54.48%0.0829%0.29CS..Hα-helixtrans-56-47.8176.6-53.40000111.4Y127 H133 T134 K139 M140 L145Y127-T137 HydrophobicContact CD1-CG2 3.61Å; Y127-T137 HydrophobicContact CE1-CG2 3.69Å; Y127-T137 HydrophobicContact CG-CG2 4.37Å; H133-T137 HydrophobicContact CB-CG2 4.1Å; T134-T137 WeakPolarHBondContact O-CB 3.29Å; T134-T137 PolarHBondContact O-N 3.16Å; T134-T137 PolarHBondContact OG1-N 3.21Å; T134-T137 VanDerWaalsContact OG1-N 3.12Å; T134-T137 PolarHBondContact OG1-OG1 2.89Å; T137-K139 PolarHBondContact O-N 3.15Å; T137-K139 VanDerWaalsContact O-N 3.16Å; T137-M140 WeakPolarHBondContact O-CB 3.36Å; T137-M140 PolarHBondContact O-N 3.03Å; T137-L145 HydrophobicContact CG2-CD2 4.29Å
138K97.3Very high97.7Very high72 Ų7256 Ų5631%0.31330%0.298SS..Hα-helixtrans-60.2-27.8179.1-70.6179.9178.6178.20113.1D130 H133 T134 A136 K182D130-K138 VanDerWaalsContact OD1-CE 3.28Å; D130-K138 WeakPolarHBondContact OD1-CE 2.92Å; H133-K138 HydrophobicContact CB-CG 3.9Å; H133-K138 WeakPolarHBondContact O-CE 3.33Å; T134-K138 WeakPolarHBondContact O-CG 3.24Å; T134-K138 PolarHBondContact O-N 3.03Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-K138 PolarHBondContact O-N 3.38Å; K138-K182 PolarHBondContact O-NZ 2.88Å
139K97.8Very high97.7Very high164 Ų16455.7 Ų55.771%0.71330%0.297SS*.Hα-helixtrans-88.8-14177.8-70.1171.2-171.2172.90114.1E135 A136 T137E135-K139 WeakPolarHBondContact O-CD 3.23Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.45Å; E135-K139 PolarHBondContact O-N 2.93Å; A136-K139 PolarHBondContact O-N 2.89Å; A136-K139 VanDerWaalsContact O-N 3.1Å; T137-K139 PolarHBondContact O-N 3.15Å; T137-K139 VanDerWaalsContact O-N 3.16Å
140M98.4Very high97.8Very high45 Ų4555.5 Ų55.522%0.22230%0.297CS..  trans-63.5143.3178-67-179.3-169.800111.1A136 T137 K144 L145 K182A136-M140 WeakPolarHBondContact O-CG 3.46Å; A136-M140 PolarHBondContact O-N 3.49Å; A136-M140 VanDerWaalsContact O-N 3.17Å; T137-M140 WeakPolarHBondContact O-CB 3.36Å; T137-M140 PolarHBondContact O-N 3.03Å; M140-K144 HydrophobicContact CB-CB 4.35Å; M140-K144 HydrophobicContact CB-CG 4.39Å; M140-K144 HydrophobicContact CG-CG 4.17Å; M140-K144 HydrophobicContact SD-CG 4.26Å; M140-L145 HydrophobicContact CB-CD2 3.98Å; M140-L145 HydrophobicContact CB-CG 3.85Å; M140-L145 HydrophobicContact SD-CD2 3.89Å; M140-K182 PolarHBondContact O-NZ 3.43Å
141S98.6Very high97.8Very high55 Ų5556.1 Ų56.139%0.38530%0.304SS..  trans-75.5166.1169.1800000110.5E143 K144 L145S141-E143 WeakPolarHBondContact CB-OE2 3.46Å; S141-E143 PolarHBondContact O-N 2.91Å; S141-E143 PolarHBondContact OG-N 3.42Å; S141-E143 PolarHBondContact OG-OE2 2.94Å; S141-K144 PolarHBondContact O-N 2.74Å; S141-K144 PolarHBondContact OG-N 2.9Å; S141-L145 WeakPolarHBondContact O-CG 3.41Å; S141-L145 PolarHBondContact O-N 3.42Å
142V98.8Very high98Very high22 Ų2252.3 Ų52.313%0.13328%0.277CS..Hα-helixtrans-60.6-39176.7175.50000110.6L145 T146 K182 R185 A186V142-L145 PolarHBondContact O-N 3.47Å; V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 PolarHBondContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 3.3Å; V142-K182 HydrophobicContact CG2-CB 4.03Å; V142-K182 HydrophobicContact CG2-CG 3.96Å; V142-R185 HydrophobicContact CG1-CB 3.9Å; V142-R185 HydrophobicContact CG2-CB 4.37Å; V142-A186 HydrophobicContact CG1-CB 4.13Å
143E98.8Very high98.1Very high121 Ų12151.3 Ų51.357%0.56527%0.271SS*.Hα-helixtrans-62.7-46.5178.3-56.171.6-154.500110.4S141 L145 T146 D147S141-E143 WeakPolarHBondContact CB-OE2 3.46Å; S141-E143 PolarHBondContact O-N 2.91Å; S141-E143 PolarHBondContact OG-N 3.42Å; S141-E143 PolarHBondContact OG-OE2 2.94Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.06Å; E143-T146 WeakPolarHBondContact O-CB 3.15Å; E143-T146 PolarHBondContact O-N 2.94Å; E143-T146 VanDerWaalsContact O-N 3.13Å; E143-D147 PolarHBondContact O-N 2.57Å
144K98.7Very high98.1Very high99 Ų9953.3 Ų53.343%0.4328%0.281SS..Hα-helixtrans-66-38.4179.7-175.854179.6148.90112.4M140 S141 T146 N148M140-K144 HydrophobicContact CB-CB 4.35Å; M140-K144 HydrophobicContact CB-CG 4.39Å; M140-K144 HydrophobicContact CG-CG 4.17Å; M140-K144 HydrophobicContact SD-CG 4.26Å; S141-K144 PolarHBondContact O-N 2.74Å; S141-K144 PolarHBondContact OG-N 2.9Å; K144-T146 VanDerWaalsContact C-N 3.32Å; K144-N148 WeakPolarHBondContact CE-OD1 3.39Å; K144-N148 PolarHBondContact NZ-OD1 2.8Å; K144-N148 VanDerWaalsContact O-CG 3.23Å; K144-N148 PolarHBondContact O-N 2.94Å; K144-N148 VanDerWaalsContact O-N 3.11Å; K144-N148 PolarHBondContact O-OD1 3.49Å
145L98.8Very high98.1Very high1 Ų156 Ų561%0.00529%0.288CS..Hα-helixtrans-63.2-41.4173.1-70.2167.5000111Y127 T137 M140 S141 V142 E143 N148 I149 K182 V183 A186Y127-L145 HydrophobicContact CD2-CD2 4.16Å; Y127-L145 HydrophobicContact CE1-CD2 4.21Å; Y127-L145 HydrophobicContact CE2-CD2 3.52Å; T137-L145 HydrophobicContact CG2-CD2 4.29Å; M140-L145 HydrophobicContact CB-CD2 3.98Å; M140-L145 HydrophobicContact CB-CG 3.85Å; M140-L145 HydrophobicContact SD-CD2 3.89Å; S141-L145 WeakPolarHBondContact O-CG 3.41Å; S141-L145 PolarHBondContact O-N 3.42Å; V142-L145 PolarHBondContact O-N 3.47Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.06Å; L145-N148 PolarHBondContact O-N 2.9Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.05Å; L145-K182 HydrophobicContact CD1-CB 3.94Å; L145-V183 HydrophobicContact CD1-CG2 4.12Å; L145-A186 HydrophobicContact CB-CB 3.5Å
146T98.9Very high98.2Very high5 Ų550.9 Ų50.93%0.03127%0.268CS..Hα-helixtrans-61-49.8177-54.90000110.6V142 E143 K144 N148 I149 V150 A186 H189 A190V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 PolarHBondContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 3.3Å; E143-T146 WeakPolarHBondContact O-CB 3.15Å; E143-T146 PolarHBondContact O-N 2.94Å; E143-T146 VanDerWaalsContact O-N 3.13Å; K144-T146 VanDerWaalsContact C-N 3.32Å; T146-N148 VanDerWaalsContact C-N 3.29Å; T146-N148 PolarHBondContact O-N 3.03Å; T146-I149 PolarHBondContact O-N 2.55Å; T146-V150 HydrophobicContact CG2-CG2 4.26Å; T146-V150 WeakPolarHBondContact O-CB 3.04Å; T146-V150 VanDerWaalsContact O-CG2 3.31Å; T146-V150 WeakPolarHBondContact O-CG2 3.08Å; T146-V150 PolarHBondContact O-N 2.98Å; T146-A186 WeakPolarHBondContact OG1-CA 3.48Å; T146-A186 WeakPolarHBondContact OG1-CB 3.42Å; T146-H189 HydrophobicContact CG2-CB 3.8Å; T146-A190 HydrophobicContact CG2-CB 4.21Å
147D98.7Very high98.2Very high94 Ų9448.1 Ų48.150%0.50325%0.245SC..Hα-helixtrans-58.1-42178.9-70.5-18.2000111.9E143 S151E143-D147 PolarHBondContact O-N 2.57Å; D147-S151 VanDerWaalsContact O-CB 3.32Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 3.16Å
148N98.5Very high98.1Very high36 Ų3651.4 Ų51.419%0.19326%0.262CS..Hα-helixtrans-62.8-50.9177.5-69.8-3.1000110.5Y127 K144 L145 T146 V150 S151 E152Y127-N148 PolarHBondContact OH-ND2 2.87Å; K144-N148 WeakPolarHBondContact CE-OD1 3.39Å; K144-N148 PolarHBondContact NZ-OD1 2.8Å; K144-N148 VanDerWaalsContact O-CG 3.23Å; K144-N148 PolarHBondContact O-N 2.94Å; K144-N148 VanDerWaalsContact O-N 3.11Å; K144-N148 PolarHBondContact O-OD1 3.49Å; L145-N148 PolarHBondContact O-N 2.9Å; T146-N148 VanDerWaalsContact C-N 3.29Å; T146-N148 PolarHBondContact O-N 3.03Å; N148-V150 VanDerWaalsContact C-N 3.34Å; N148-V150 PolarHBondContact O-N 2.75Å; N148-S151 WeakPolarHBondContact O-CB 3.45Å; N148-S151 PolarHBondContact O-N 3.3Å; N148-S151 VanDerWaalsContact O-N 3.16Å; N148-E152 WeakPolarHBondContact O-CG 3.37Å; N148-E152 PolarHBondContact O-N 2.83Å
149I98.8Very high98.1Very high0 Ų052.3 Ų52.30%029%0.292CS..Hα-helixtrans-59.7-44.8179-66.9166.9000110.9Y127 L145 T146 S151 E152 V153 I167 A186 A190Y127-I149 HydrophobicContact CE2-CD1 4.42Å; Y127-I149 HydrophobicContact CE2-CG1 4.22Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.05Å; T146-I149 PolarHBondContact O-N 2.55Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.33Å; I149-E152 PolarHBondContact O-N 2.87Å; I149-V153 PolarHBondContact O-N 3.42Å; I149-I167 HydrophobicContact CG2-CB 4.41Å; I149-I167 HydrophobicContact CG2-CD1 3.54Å; I149-I167 HydrophobicContact CG2-CG1 3.66Å; I149-I167 HydrophobicContact CG2-CG2 3.88Å; I149-A186 HydrophobicContact CD1-CB 4.29Å; I149-A190 HydrophobicContact CB-CB 4.23Å; I149-A190 HydrophobicContact CG2-CB 3.73Å
150V98.6Very high98.1Very high18 Ų1846.3 Ų46.311%0.10927%0.269CS..Hα-helixtrans-61.2-41.7177.4169.10000111.2T146 N148 E152 V153 L154 A190 L194T146-V150 HydrophobicContact CG2-CG2 4.26Å; T146-V150 WeakPolarHBondContact O-CB 3.04Å; T146-V150 VanDerWaalsContact O-CG2 3.31Å; T146-V150 WeakPolarHBondContact O-CG2 3.08Å; T146-V150 PolarHBondContact O-N 2.98Å; N148-V150 VanDerWaalsContact C-N 3.34Å; N148-V150 PolarHBondContact O-N 2.75Å; V150-E152 PolarHBondContact O-N 2.89Å; V150-V153 PolarHBondContact O-N 2.78Å; V150-L154 HydrophobicContact CG1-CD1 3.67Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.35Å; V150-L154 PolarHBondContact O-N 3.03Å; V150-A190 HydrophobicContact CG2-CB 3.84Å; V150-L194 HydrophobicContact CG1-CD2 4.43Å; V150-L194 HydrophobicContact CG2-CD1 4.1Å; V150-L194 HydrophobicContact CG2-CG 4.45Å
151S98.4Very high98.1Very high49 Ų4949.5 Ų49.534%0.34329%0.287SS..Hα-helixtrans-62.2-41.6176.8-173.80000112.3D147 N148 I149 V153 L154 H155 G156D147-S151 VanDerWaalsContact O-CB 3.32Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 3.16Å; N148-S151 WeakPolarHBondContact O-CB 3.45Å; N148-S151 PolarHBondContact O-N 3.3Å; N148-S151 VanDerWaalsContact O-N 3.16Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.33Å; S151-V153 PolarHBondContact O-N 2.97Å; S151-L154 PolarHBondContact O-N 3.16Å; S151-H155 WeakPolarHBondContact O-CA 3.36Å; S151-H155 WeakPolarHBondContact O-CB 3.44Å; S151-H155 PolarHBondContact O-N 3.31Å; S151-G156 PolarHBondContact O-N 3.04Å
152E98.6Very high98.1Very high13 Ų1346.9 Ų46.96%0.06127%0.269CS..Hα-helixtrans-60.4-35.3178-68.3-169.2171.600112.6M101 R105 A125 G126 N148 I149 V150 G156 A157 R163 C164M101-E152 WeakPolarHBondContact CE-OE1 3.15Å; R105-E152 IonicContact CZ-OE1 2.68Å; R105-E152 IonicContact CZ-OE2 2.77Å; R105-E152 IonicContact NH1-OE1 2.84Å; R105-E152 IonicContact NH1-OE2 3.1Å; R105-E152 PolarHBondContact NH1-OE2 2.85Å; R105-E152 IonicContact NH2-OE1 3.49Å; R105-E152 PolarHBondContact NH2-OE1 3.01Å; R105-E152 IonicContact NH2-OE2 3.4Å; R105-E152 PolarHBondContact NH2-OE2 3.47Å; A125-E152 WeakPolarHBondContact CA-OE2 3.29Å; A125-E152 HydrophobicContact CB-CB 3.89Å; A125-E152 WeakPolarHBondContact CB-OE2 3.29Å; G126-E152 PolarHBondContact N-OE2 2.79Å; G126-E152 VanDerWaalsContact N-OE2 3.15Å; N148-E152 WeakPolarHBondContact O-CG 3.37Å; N148-E152 PolarHBondContact O-N 2.83Å; I149-E152 PolarHBondContact O-N 2.87Å; V150-E152 PolarHBondContact O-N 2.89Å; E152-G156 WeakPolarHBondContact CA-O 3.28Å; E152-A157 HydrophobicContact CB-CB 3.89Å; E152-A157 HydrophobicContact CG-CB 3.65Å; E152-R163 WeakPolarHBondContact O-CA 3.32Å; E152-C164 PolarHBondContact O-N 3.15Å
153V98.4Very high98Very high0 Ų049.3 Ų49.30%028%0.275CS..Hα-helixtrans-81.1-38.9178.9178.70000112.1L4 A125 I149 V150 S151 C164 I167 L194 F348L4-V153 HydrophobicContact CD1-CG1 4.09Å; A125-V153 HydrophobicContact CB-CG2 4.25Å; I149-V153 PolarHBondContact O-N 3.42Å; V150-V153 PolarHBondContact O-N 2.78Å; S151-V153 PolarHBondContact O-N 2.97Å; V153-C164 HydrophobicContact CG2-CB 4.44Å; V153-I167 HydrophobicContact CG2-CG1 4.34Å; V153-L194 HydrophobicContact CB-CD1 3.89Å; V153-L194 HydrophobicContact CG1-CD1 3.94Å; V153-L194 HydrophobicContact CG2-CD1 4.11Å; V153-F348 HydrophobicContact CG1-CE1 3.72Å; V153-F348 HydrophobicContact CG1-CZ 3.85Å
154L97.9Very high98Very high52 Ų5243.5 Ų43.527%0.27225%0.248SC..Hα-helixtrans-91.6-35.4-172.4-66.8-173.1000114.6L4 V150 S151 R163 L194L4-L154 HydrophobicContact CD1-CD2 3.69Å; V150-L154 HydrophobicContact CG1-CD1 3.67Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.35Å; V150-L154 PolarHBondContact O-N 3.03Å; S151-L154 PolarHBondContact O-N 3.16Å; L154-R163 VanDerWaalsContact C-CD 3.49Å; L154-R163 WeakPolarHBondContact O-CD 3.38Å; L154-L194 HydrophobicContact CD1-CD2 3.97Å; L154-L194 HydrophobicContact CD2-CD2 3.67Å; L154-L194 HydrophobicContact CG-CD2 3.83Å
155H97.6Very high98Very high137 Ų13738.8 Ų38.863%0.63423%0.228SC*.THydrogen-bonded Turntrans-121.2-33.1-164.8-58.2-48.3000113.3S151S151-H155 WeakPolarHBondContact O-CA 3.36Å; S151-H155 WeakPolarHBondContact O-CB 3.44Å; S151-H155 PolarHBondContact O-N 3.31Å
156G97.1Very high98Very high12 Ų1238.8 Ų38.812%0.12423%0.228CC..  trans135.5163.7179.500000111.4S151 E152 V162S151-G156 PolarHBondContact O-N 3.04Å; E152-G156 WeakPolarHBondContact CA-O 3.28Å; G156-V162 CarbonylContact C-O 3.51Å; G156-V162 WeakPolarHBondContact CA-O 3.33Å
157A97.4Very high98Very high3 Ų338.5 Ų38.53%0.02523%0.226CC..SBendtrans-125.3157.2-175.900000112.2L107 E152 G159 T160 V162L107-A157 HydrophobicContact CD1-CB 3.51Å; L107-A157 WeakPolarHBondContact CD1-O 3.1Å; E152-A157 HydrophobicContact CB-CB 3.89Å; E152-A157 HydrophobicContact CG-CB 3.65Å; A157-G159 VanDerWaalsContact C-N 3.28Å; A157-G159 PolarHBondContact O-N 3.49Å; A157-T160 WeakPolarHBondContact O-CA 3.49Å; A157-T160 WeakPolarHBondContact O-CB 3.38Å; A157-T160 PolarHBondContact O-N 3.2Å; A157-T160 PolarHBondContact O-OG1 2.67Å; A157-V162 PolarHBondContact N-O 2.74Å
158D95.1Very high98Very high81 Ų8134 Ų3443%0.43320%0.202SC..THydrogen-bonded Turntrans52.137.1176.1-50.4-31.2000115.5R105 L107 T160R105-D158 WeakPolarHBondContact CG-OD2 3.4Å; R105-D158 IonicContact CZ-OD1 2.96Å; R105-D158 IonicContact CZ-OD2 3.84Å; R105-D158 IonicContact NE-OD1 3.81Å; R105-D158 IonicContact NE-OD2 3.86Å; R105-D158 PolarHBondContact NE-OD2 2.98Å; R105-D158 IonicContact NH2-OD1 3.44Å; R105-D158 PolarHBondContact NH2-OD1 3.07Å; R105-D158 IonicContact NH2-OD2 3.72Å; R105-D158 PolarHBondContact NH2-OD2 3.12Å; L107-D158 HydrophobicContact CD1-CB 4.25Å; D158-T160 PolarHBondContact O-N 3.32Å
159G95.9Very high98Very high92 Ų9232.4 Ų32.495%0.94819%0.193SC*.THydrogen-bonded Turntrans72.313.2-17800000114.1A157A157-G159 VanDerWaalsContact C-N 3.28Å; A157-G159 PolarHBondContact O-N 3.49Å
160T97.9Very high98Very high38 Ų3832.4 Ų32.423%0.23319%0.193CC..SBendtrans-108.9170.6175.579.90000111.5P108 A157 D158 V162P108-T160 HydrophobicContact CG-CG2 4.04Å; A157-T160 WeakPolarHBondContact O-CA 3.49Å; A157-T160 WeakPolarHBondContact O-CB 3.38Å; A157-T160 PolarHBondContact O-N 3.2Å; A157-T160 PolarHBondContact O-OG1 2.67Å; D158-T160 PolarHBondContact O-N 3.32Å; T160-V162 VanDerWaalsContact C-N 3.31Å; T160-V162 WeakPolarHBondContact OG1-CB 3.49Å; T160-V162 PolarHBondContact OG1-N 2.76Å; T160-V162 VanDerWaalsContact OG1-N 3.08Å
161D97.9Very high97.9Very high111 Ų11131.5 Ų31.559%0.59419%0.188SC*.SBendtrans-897.1169.267.5-27.5000112.9R111 R163R111-D161 IonicContact CZ-OD1 2.58Å; R111-D161 IonicContact NH1-OD1 2.73Å; R111-D161 PolarHBondContact NH1-OD1 2.61Å; R111-D161 IonicContact NH1-OD2 3.55Å; R111-D161 VanDerWaalsContact NH2-CG 3.3Å; R111-D161 IonicContact NH2-OD1 2.56Å; R111-D161 PolarHBondContact NH2-OD1 3.29Å; R111-D161 IonicContact NH2-OD2 3.98Å; D161-R163 PolarHBondContact O-N 3.35Å
162V98.5Very high97.9Very high1 Ų129.2 Ų29.21%0.00617%0.172CC..PPolyproline II helixtrans-74.5119.9174.8-178.20000108.8V11 L107 G156 A157 T160V11-V162 HydrophobicContact CB-CG1 3.94Å; V11-V162 HydrophobicContact CG1-CG1 3.85Å; L107-V162 HydrophobicContact CB-CB 3.87Å; L107-V162 HydrophobicContact CB-CG1 4.03Å; L107-V162 HydrophobicContact CB-CG2 3.89Å; L107-V162 HydrophobicContact CD1-CB 4.02Å; L107-V162 HydrophobicContact CD1-CG1 4.29Å; L107-V162 HydrophobicContact CD2-CG1 4.31Å; L107-V162 HydrophobicContact CG-CB 4.46Å; L107-V162 HydrophobicContact CG-CG1 4.45Å; G156-V162 CarbonylContact C-O 3.51Å; G156-V162 WeakPolarHBondContact CA-O 3.33Å; A157-V162 PolarHBondContact N-O 2.74Å; T160-V162 VanDerWaalsContact C-N 3.31Å; T160-V162 WeakPolarHBondContact OG1-CB 3.49Å; T160-V162 PolarHBondContact OG1-N 2.76Å; T160-V162 VanDerWaalsContact OG1-N 3.08Å
163R98.6Very high97.9Very high72 Ų7229.4 Ų29.427%0.27218%0.177SC..PPolyproline II helixtrans-94.3138.3176-62.7-174.9-59.7-175.84.3111.2Q9 E152 L154 D161Q9-R163 HydrophobicContact CG-CB 3.99Å; Q9-R163 VanDerWaalsContact OE1-CZ 3.22Å; E152-R163 WeakPolarHBondContact O-CA 3.32Å; L154-R163 VanDerWaalsContact C-CD 3.49Å; L154-R163 WeakPolarHBondContact O-CD 3.38Å; D161-R163 PolarHBondContact O-N 3.35Å
164C98.6Very high97.8Very high0 Ų034.6 Ų34.60%020%0.197CC..PPolyproline II helixtrans-75145.4174.3-610000110.6A123 G124 A125 E152 V153A123-C164 CarbonylContact O-C 3.58Å; A123-C164 VanDerWaalsContact O-CA 3.27Å; A123-C164 WeakPolarHBondContact O-CA 3.34Å; A123-C164 WeakPolarHBondContact O-CB 3.42Å; G124-C164 PolarHBondContact O-SG 2.9Å; G124-C164 VanDerWaalsContact O-SG 3.42Å; A125-C164 HydrophobicContact CB-CB 3.61Å; E152-C164 PolarHBondContact O-N 3.15Å; V153-C164 HydrophobicContact CG2-CB 4.44Å
165G98.6Very high97.8Very high0 Ų037 Ų370%022%0.216CC..SBendtrans-110.6-4.218000000114.7Q9 A123 P197 F348Q9-G165 WeakPolarHBondContact O-CA 3.4Å; A123-G165 PolarHBondContact O-N 2.88Å; G165-P197 WeakPolarHBondContact O-CG 3.09Å; G165-F348 VanDerWaalsContact O-CE2 3.26Å; G165-F348 WeakPolarHBondContact O-CE2 3.12Å
166V98.8Very high97.8Very high0 Ų031 Ų310%019%0.188CC..EExtended strand (participates in β ladder)trans-141.3147.5173.465.50000109.6V96 I122 A123 A125 P197 I199 W345V96-V166 HydrophobicContact CG1-CG1 3.81Å; I122-V166 HydrophobicContact CG2-CB 4.46Å; I122-V166 HydrophobicContact CG2-CG1 4.3Å; A123-V166 PolarHBondContact O-N 2.92Å; A125-V166 PolarHBondContact N-O 3.09Å; V166-P197 HydrophobicContact CB-CG 4.07Å; V166-P197 HydrophobicContact CG2-CB 4Å; V166-P197 HydrophobicContact CG2-CG 4.03Å; V166-P197 WeakPolarHBondContact CG2-O 2.94Å; V166-I199 HydrophobicContact CG2-CB 4.5Å; V166-I199 HydrophobicContact CG2-CG2 3.76Å; V166-W345 HydrophobicContact CG2-CH2 4.25Å; V166-W345 HydrophobicContact CG2-CZ2 3.76Å
167I98.9Very high97.9Very high0 Ų032.4 Ų32.40%020%0.195CC..EExtended strand (participates in β ladder)trans-90.2105.2165.1-57173.2000107.4A125 I149 V153 I170 T187 A190 C196 P197 V198 I199A125-I167 CarbonylContact O-C 3.32Å; I149-I167 HydrophobicContact CG2-CB 4.41Å; I149-I167 HydrophobicContact CG2-CD1 3.54Å; I149-I167 HydrophobicContact CG2-CG1 3.66Å; I149-I167 HydrophobicContact CG2-CG2 3.88Å; V153-I167 HydrophobicContact CG2-CG1 4.34Å; I167-I170 HydrophobicContact CG2-CD1 3.79Å; I167-I170 HydrophobicContact CG2-CG1 3.98Å; I167-T187 HydrophobicContact CG2-CG2 3.77Å; I167-A190 HydrophobicContact CD1-CB 3.68Å; I167-C196 WeakPolarHBondContact CD1-SG 3.37Å; I167-P197 PolarHBondContact N-O 2.82Å; I167-V198 HydrophobicContact CB-CG2 4.18Å; I167-V198 CarbonylContact O-C 3.52Å; I167-V198 VanDerWaalsContact O-CA 3.28Å; I167-V198 WeakPolarHBondContact O-CA 3.45Å; I167-I199 PolarHBondContact O-N 3.47Å
168G97.6Very high97.9Very high0 Ų038 Ų380%022%0.22CC..EExtended strand (participates in β ladder)trans147.1177.1174.300000113.7T100 G124 A125 I199T100-G168 WeakPolarHBondContact CG2-O 3.4Å; G124-G168 CarbonylContact C-O 3.59Å; G124-G168 WeakPolarHBondContact CA-O 3.46Å; A125-G168 WeakPolarHBondContact O-CA 3.31Å; A125-G168 PolarHBondContact O-N 3.34Å; G168-I199 WeakPolarHBondContact CA-O 3.45Å
169E97.8Very high98.1Very high1 Ų134.8 Ų34.81%0.00520%0.204CC..EExtended strand (participates in β ladder)cis-69.71282.970.7178.1150.200112H26 H28 N98 T100 Y128 H201 H230H26-E169 IonicContact CE1-OE2 3.43Å; H26-E169 IonicContact NE2-OE2 3.84Å; H28-E169 IonicContact CE1-OE1 2.91Å; H28-E169 PolarHBondContact CE1-OE1 3.06Å; H28-E169 IonicContact NE2-OE1 3.39Å; N98-E169 HydrophobicContact CB-CB 4.02Å; N98-E169 HydrophobicContact CB-CG 4.19Å; N98-E169 WeakPolarHBondContact O-CG 3.37Å; N98-E169 PolarHBondContact O-N 2.92Å; T100-E169 PolarHBondContact OG1-O 3.31Å; Y128-E169 HydrophobicContact CD2-CG 3.77Å; Y128-E169 HydrophobicContact CE2-CG 3.81Å; Y128-E169 WeakPolarHBondContact CE2-OE1 3.33Å; Y128-E169 WeakPolarHBondContact CE2-OE2 3.47Å; E169-H201 HydrophobicContact CB-CB 4.43Å; E169-H201 HydrophobicContact CG-CB 4.48Å; E169-H201 VanDerWaalsContact OE2-CB 3.23Å; E169-H201 WeakPolarHBondContact OE2-CB 3.34Å; E169-H201 IonicContact OE2-CG 3.94Å; E169-H201 IonicContact OE2-ND1 3.2Å; E169-H201 PolarHBondContact OE2-ND1 3.38Å; E169-H230 IonicContact OE2-NE2 3.26Å
170I98.8Very high98.2Very high0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-86.2118.5173.5-61.8-59.2000108Y127 I167 V183 L184 T187 I199 I200 H201Y127-I170 WeakPolarHBondContact O-CA 3.49Å; I167-I170 HydrophobicContact CG2-CD1 3.79Å; I167-I170 HydrophobicContact CG2-CG1 3.98Å; I170-V183 HydrophobicContact CD1-CG1 4.19Å; I170-V183 HydrophobicContact CG2-CG1 3.77Å; I170-L184 HydrophobicContact CG2-CD2 3.94Å; I170-T187 HydrophobicContact CG1-CG2 4.06Å; I170-I199 PolarHBondContact N-O 3Å; I170-I200 HydrophobicContact CB-CD1 3.7Å; I170-I200 HydrophobicContact CG1-CD1 4.17Å; I170-I200 HydrophobicContact CG2-CD1 4.25Å; I170-H201 PolarHBondContact O-N 3.05Å
171G98.2Very high98.2Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-78.8133.2-174.300000114Y127 Y128Y127-G171 PolarHBondContact O-N 2.86Å; Y128-G171 VanDerWaalsContact C-CA 3.46Å; Y128-G171 WeakPolarHBondContact O-CA 3.41Å
172T98.3Very high98.3Very high0 Ų027.9 Ų27.90%014%0.139CC..  trans-133.7135.5164.664.60000111.8I176 L184 H201 P202 G203 V212T172-I176 HydrophobicContact CG2-CG2 4.4Å; T172-L184 HydrophobicContact CG2-CD1 3.89Å; T172-L184 HydrophobicContact CG2-CD2 3.99Å; T172-L184 HydrophobicContact CG2-CG 4.07Å; T172-H201 PolarHBondContact N-O 3.29Å; T172-H201 PolarHBondContact OG1-O 3.4Å; T172-P202 CarbonylContact O-C 3.55Å; T172-P202 WeakPolarHBondContact OG1-CA 3.09Å; T172-G203 WeakPolarHBondContact O-CA 3.31Å; T172-G203 PolarHBondContact O-N 3.37Å; T172-G203 VanDerWaalsContact O-N 3.09Å; T172-G203 PolarHBondContact OG1-N 3.02Å; T172-V212 HydrophobicContact CG2-CG2 3.98Å
173G97.1Very high98.3Very high17 Ų1727.8 Ų27.818%0.17514%0.139CC..  trans-84.7-167.5166.300000112.6E180G173-E180 VanDerWaalsContact N-CD 3.3Å; G173-E180 PolarHBondContact N-OE1 2.83Å; G173-E180 PolarHBondContact N-OE2 3.27Å
174W96.9Very high98.3Very high110 Ų11024.4 Ų24.442%0.41713%0.126SC..SBendtrans-140.8128.6167.5-173.7-105.4000111.6I176 D205 A207 A208 E211W174-I176 HydrophobicContact CE3-CG1 4.29Å; W174-I176 HydrophobicContact CZ3-CG1 4.49Å; W174-D205 HydrophobicContact CB-CB 4.1Å; W174-D205 HydrophobicContact CD2-CB 3.68Å; W174-D205 HydrophobicContact CG-CB 3.43Å; W174-D205 VanDerWaalsContact CG-CB 3.43Å; W174-D205 HydrophobicContact CZ2-CB 4.45Å; W174-D205 VanDerWaalsContact NE1-CB 3.33Å; W174-D205 PolarHBondContact NE1-OD2 2.91Å; W174-A207 HydrophobicContact CH2-CB 3.71Å; W174-A207 HydrophobicContact CZ2-CB 3.83Å; W174-A208 HydrophobicContact CD2-CB 4.29Å; W174-A208 HydrophobicContact CE3-CB 3.62Å; W174-A208 HydrophobicContact CZ3-CB 4.02Å; W174-E211 HydrophobicContact CZ3-CB 4.08Å; W174-E211 HydrophobicContact CZ3-CG 4.3Å
175P97.6Very high98.3Very high102 Ų10228.8 Ų28.866%0.66214%0.142SC*.SBendcis-58.8153.1-11-2334.7000112.9T177P175-T177 PolarHBondContact O-N 3.29Å
176I98.5Very high98.3Very high10 Ų1028.8 Ų28.85%0.05114%0.142CC..PPolyproline II helixtrans-66.1122.6178.6-50.3-178.8000109.3T172 W174 E180 K181 L184 E211 V212 I215T172-I176 HydrophobicContact CG2-CG2 4.4Å; W174-I176 HydrophobicContact CE3-CG1 4.29Å; W174-I176 HydrophobicContact CZ3-CG1 4.49Å; I176-E180 HydrophobicContact CG2-CB 3.69Å; I176-K181 HydrophobicContact CG2-CG 3.87Å; I176-K181 VanDerWaalsContact O-CE 3.28Å; I176-K181 WeakPolarHBondContact O-CE 3.38Å; I176-L184 HydrophobicContact CD1-CD1 4.34Å; I176-L184 HydrophobicContact CG2-CD1 4.27Å; I176-E211 HydrophobicContact CD1-CB 4.23Å; I176-E211 HydrophobicContact CD1-CG 3.67Å; I176-E211 HydrophobicContact CG1-CG 4.45Å; I176-V212 HydrophobicContact CD1-CG2 3.73Å; I176-I215 HydrophobicContact CD1-CD1 3.86Å
177T98.5Very high98.3Very high43 Ų4328.8 Ų28.826%0.26414%0.142SC..PPolyproline II helixtrans-73.7164.5-177.965.50000112.2D130 P175 S179 E180 K181D130-T177 HydrophobicContact CB-CG2 3.93Å; D130-T177 WeakPolarHBondContact CB-OG1 3.38Å; P175-T177 PolarHBondContact O-N 3.29Å; T177-S179 VanDerWaalsContact C-N 3.27Å; T177-S179 PolarHBondContact O-N 2.96Å; T177-E180 WeakPolarHBondContact CB-OE2 3.5Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 3.07Å; T177-E180 PolarHBondContact O-N 2.84Å; T177-E180 WeakPolarHBondContact OG1-CB 3.19Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.4Å; T177-E180 PolarHBondContact OG1-OE2 2.96Å; T177-K181 VanDerWaalsContact O-CG 3.3Å; T177-K181 WeakPolarHBondContact O-CG 3.37Å; T177-K181 PolarHBondContact O-N 3.23Å
178E98.1Very high98.3Very high121 Ų12128.8 Ų28.857%0.56514%0.142SC*.Hα-helixtrans-63.9-32.4175.4-68.3-53.6123.300112.9K181 K182E178-K181 WeakPolarHBondContact OE1-CD 3.22Å; E178-K181 IonicContact OE1-NZ 3.74Å; E178-K181 PolarHBondContact OE1-NZ 3.32Å; E178-K182 WeakPolarHBondContact O-CG 3.34Å; E178-K182 PolarHBondContact O-N 3.13Å; E178-K182 VanDerWaalsContact O-N 3.11Å
179S98.2Very high98.4Very high12 Ų1232.1 Ų32.18%0.08416%0.158CC..Hα-helixtrans-66.8-46.8175.6-159.90000111D130 H133 T177 K181 K182 V183D130-S179 WeakPolarHBondContact OD1-CB 3.5Å; H133-S179 PolarHBondContact ND1-OG 3.19Å; T177-S179 VanDerWaalsContact C-N 3.27Å; T177-S179 PolarHBondContact O-N 2.96Å; S179-K181 PolarHBondContact O-N 3.46Å; S179-K182 WeakPolarHBondContact O-CB 3.24Å; S179-K182 PolarHBondContact O-N 3.25Å; S179-K182 VanDerWaalsContact O-N 3.14Å; S179-V183 WeakPolarHBondContact O-CG2 3.4Å; S179-V183 PolarHBondContact O-N 3.38Å
180E98.8Very high98.4Very high4 Ų432.1 Ų32.12%0.01916%0.158CC..Hα-helixtrans-64-39.6177.5-68.4161.5155.200111.7D130 G173 I176 T177 K182 V183 L184D130-E180 HydrophobicContact CB-CG 3.95Å; D130-E180 PolarHBondContact N-OE1 3.46Å; G173-E180 VanDerWaalsContact N-CD 3.3Å; G173-E180 PolarHBondContact N-OE1 2.83Å; G173-E180 PolarHBondContact N-OE2 3.27Å; I176-E180 HydrophobicContact CG2-CB 3.69Å; T177-E180 WeakPolarHBondContact CB-OE2 3.5Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 3.07Å; T177-E180 PolarHBondContact O-N 2.84Å; T177-E180 WeakPolarHBondContact OG1-CB 3.19Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.4Å; T177-E180 PolarHBondContact OG1-OE2 2.96Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.88Å; E180-V183 PolarHBondContact O-N 3.03Å; E180-V183 VanDerWaalsContact O-N 3.13Å; E180-L184 WeakPolarHBondContact O-CG 3.48Å; E180-L184 PolarHBondContact O-N 2.7Å
181K98.8Very high98.4Very high47 Ų4732.2 Ų32.220%0.20416%0.158CC..Hα-helixtrans-58.4-40.3172.2-72.4174.6-168.2167.80112.3I176 T177 E178 S179 L184 R185 I215I176-K181 HydrophobicContact CG2-CG 3.87Å; I176-K181 VanDerWaalsContact O-CE 3.28Å; I176-K181 WeakPolarHBondContact O-CE 3.38Å; T177-K181 VanDerWaalsContact O-CG 3.3Å; T177-K181 WeakPolarHBondContact O-CG 3.37Å; T177-K181 PolarHBondContact O-N 3.23Å; E178-K181 WeakPolarHBondContact OE1-CD 3.22Å; E178-K181 IonicContact OE1-NZ 3.74Å; E178-K181 PolarHBondContact OE1-NZ 3.32Å; S179-K181 PolarHBondContact O-N 3.46Å; K181-L184 PolarHBondContact O-N 3.24Å; K181-R185 WeakPolarHBondContact O-CG 3.29Å; K181-R185 PolarHBondContact O-N 3.46Å; K181-I215 HydrophobicContact CG-CD1 4.09Å
182K98.7Very high98.3Very high45 Ų4535.7 Ų35.720%0.19618%0.182CC..Hα-helixtrans-64.7-41.6175.2-73.3-172.1-61.8169.50111.7K138 M140 V142 L145 E178 S179 E180 R185 A186K138-K182 PolarHBondContact O-NZ 2.88Å; M140-K182 PolarHBondContact O-NZ 3.43Å; V142-K182 HydrophobicContact CG2-CB 4.03Å; V142-K182 HydrophobicContact CG2-CG 3.96Å; L145-K182 HydrophobicContact CD1-CB 3.94Å; E178-K182 WeakPolarHBondContact O-CG 3.34Å; E178-K182 PolarHBondContact O-N 3.13Å; E178-K182 VanDerWaalsContact O-N 3.11Å; S179-K182 WeakPolarHBondContact O-CB 3.24Å; S179-K182 PolarHBondContact O-N 3.25Å; S179-K182 VanDerWaalsContact O-N 3.14Å; E180-K182 VanDerWaalsContact C-N 3.3Å; E180-K182 PolarHBondContact O-N 2.88Å; K182-R185 PolarHBondContact O-N 2.68Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 3.33Å
183V98.8Very high98.2Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-64.9-41.6176.7176.30000111.4Y127 L145 I170 S179 E180 A186 T187Y127-V183 HydrophobicContact CD2-CG1 4.09Å; Y127-V183 HydrophobicContact CD2-CG2 4.26Å; Y127-V183 HydrophobicContact CG-CG2 4.38Å; L145-V183 HydrophobicContact CD1-CG2 4.12Å; I170-V183 HydrophobicContact CD1-CG1 4.19Å; I170-V183 HydrophobicContact CG2-CG1 3.77Å; S179-V183 WeakPolarHBondContact O-CG2 3.4Å; S179-V183 PolarHBondContact O-N 3.38Å; E180-V183 PolarHBondContact O-N 3.03Å; E180-V183 VanDerWaalsContact O-N 3.13Å; V183-A186 PolarHBondContact O-N 3.03Å; V183-T187 WeakPolarHBondContact O-CB 3.13Å; V183-T187 PolarHBondContact O-N 3.03Å; V183-T187 PolarHBondContact O-OG1 3.25Å
184L98.9Very high98.2Very high0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-60.5-46.2174.5-73.2174000111.8I170 T172 I176 E180 K181 A186 T187 A188 I200 V212 I215 L216I170-L184 HydrophobicContact CG2-CD2 3.94Å; T172-L184 HydrophobicContact CG2-CD1 3.89Å; T172-L184 HydrophobicContact CG2-CD2 3.99Å; T172-L184 HydrophobicContact CG2-CG 4.07Å; I176-L184 HydrophobicContact CD1-CD1 4.34Å; I176-L184 HydrophobicContact CG2-CD1 4.27Å; E180-L184 WeakPolarHBondContact O-CG 3.48Å; E180-L184 PolarHBondContact O-N 2.7Å; K181-L184 PolarHBondContact O-N 3.24Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.44Å; L184-T187 WeakPolarHBondContact O-CB 3.41Å; L184-T187 PolarHBondContact O-N 3Å; L184-A188 PolarHBondContact O-N 3.18Å; L184-I200 HydrophobicContact CD2-CD1 4.24Å; L184-V212 HydrophobicContact CD1-CG2 4.44Å; L184-V212 HydrophobicContact CD2-CG1 4.12Å; L184-I215 HydrophobicContact CB-CG2 3.77Å; L184-I215 HydrophobicContact CD1-CB 4.19Å; L184-I215 HydrophobicContact CD1-CD1 3.94Å; L184-I215 HydrophobicContact CD1-CG2 3.96Å; L184-L216 HydrophobicContact CB-CD2 4.41Å; L184-L216 HydrophobicContact CD2-CD2 4.22Å; L184-L216 HydrophobicContact CD2-CG 4.26Å; L184-L216 VanDerWaalsContact O-CD2 3.32Å; L184-L216 WeakPolarHBondContact O-CD2 3.18Å
185R98.9Very high98.1Very high92 Ų9237.4 Ų37.435%0.34720%0.196SC..Hα-helixtrans-62.4-42.5176.7-68179.5-169.9114.4-1.8111.9V142 K181 K182 T187 A188 H189 I215 A219V142-R185 HydrophobicContact CG1-CB 3.9Å; V142-R185 HydrophobicContact CG2-CB 4.37Å; K181-R185 WeakPolarHBondContact O-CG 3.29Å; K181-R185 PolarHBondContact O-N 3.46Å; K182-R185 PolarHBondContact O-N 2.68Å; R185-T187 VanDerWaalsContact C-N 3.31Å; R185-T187 PolarHBondContact O-N 3.24Å; R185-A188 PolarHBondContact O-N 3.02Å; R185-H189 PolarHBondContact O-CD2 2.81Å; R185-H189 VanDerWaalsContact O-CG 3.3Å; R185-H189 PolarHBondContact O-N 3.02Å; R185-I215 HydrophobicContact CG-CG2 4.29Å; R185-A219 HydrophobicContact CB-CB 4.19Å; R185-A219 HydrophobicContact CG-CB 4.05Å
186A98.9Very high98.1Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-63.1-39.5176.400000112.1V142 L145 T146 I149 K182 V183 L184 H189 A190V142-A186 HydrophobicContact CG1-CB 4.13Å; L145-A186 HydrophobicContact CB-CB 3.5Å; T146-A186 WeakPolarHBondContact OG1-CA 3.48Å; T146-A186 WeakPolarHBondContact OG1-CB 3.42Å; I149-A186 HydrophobicContact CD1-CB 4.29Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 3.33Å; V183-A186 PolarHBondContact O-N 3.03Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 3.44Å; A186-H189 PolarHBondContact O-N 3.41Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 2.77Å
187T98.8Very high98.1Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-59.7-48.3173.9-63.40000111I167 I170 V183 L184 R185 H189 A190 Q191 V198 L216I167-T187 HydrophobicContact CG2-CG2 3.77Å; I170-T187 HydrophobicContact CG1-CG2 4.06Å; V183-T187 WeakPolarHBondContact O-CB 3.13Å; V183-T187 PolarHBondContact O-N 3.03Å; V183-T187 PolarHBondContact O-OG1 3.25Å; L184-T187 WeakPolarHBondContact O-CB 3.41Å; L184-T187 PolarHBondContact O-N 3Å; R185-T187 VanDerWaalsContact C-N 3.31Å; R185-T187 PolarHBondContact O-N 3.24Å; T187-H189 PolarHBondContact O-N 3.27Å; T187-A190 PolarHBondContact O-N 3.06Å; T187-Q191 VanDerWaalsContact O-CB 3.3Å; T187-Q191 WeakPolarHBondContact O-CB 3.43Å; T187-Q191 PolarHBondContact O-N 3.01Å; T187-V198 HydrophobicContact CG2-CG1 3.72Å; T187-V198 HydrophobicContact CG2-CG2 3.98Å; T187-L216 HydrophobicContact CG2-CD2 4.17Å
188A98.8Very high98.1Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-58.3-48176.500000111.6L184 R185 A190 Q191 S192 L216 A219L184-A188 PolarHBondContact O-N 3.18Å; R185-A188 PolarHBondContact O-N 3.02Å; A188-A190 PolarHBondContact O-N 3.09Å; A188-Q191 WeakPolarHBondContact O-CB 3.28Å; A188-Q191 PolarHBondContact O-N 3.14Å; A188-S192 PolarHBondContact O-N 2.95Å; A188-S192 PolarHBondContact O-OG 2.95Å; A188-L216 HydrophobicContact CB-CD2 4.06Å; A188-A219 HydrophobicContact CB-CB 3.51Å
189H98.8Very high98.2Very high71 Ų7124.3 Ų24.333%0.32912%0.123SC..Hα-helixtrans-62.4-42.1178.7-63.2-21.5000112.9T146 R185 A186 T187 S192 Q193 A219T146-H189 HydrophobicContact CG2-CB 3.8Å; R185-H189 PolarHBondContact O-CD2 2.81Å; R185-H189 VanDerWaalsContact O-CG 3.3Å; R185-H189 PolarHBondContact O-N 3.02Å; A186-H189 PolarHBondContact O-N 3.41Å; T187-H189 PolarHBondContact O-N 3.27Å; H189-S192 PolarHBondContact O-N 2.85Å; H189-Q193 VanDerWaalsContact O-CG 3.29Å; H189-Q193 WeakPolarHBondContact O-CG 3.47Å; H189-Q193 PolarHBondContact O-N 3.44Å; H189-Q193 PolarHBondContact O-NE2 3.35Å; H189-A219 PolarHBondContact CE1-O 3.19Å; H189-A219 VanDerWaalsContact CE1-O 3.27Å; H189-A219 PolarHBondContact ND1-O 3.22Å
190A98.6Very high98.2Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-64.3-43.1175.300000111.2T146 I149 V150 I167 A186 T187 A188 S192 Q193 L194T146-A190 HydrophobicContact CG2-CB 4.21Å; I149-A190 HydrophobicContact CB-CB 4.23Å; I149-A190 HydrophobicContact CG2-CB 3.73Å; V150-A190 HydrophobicContact CG2-CB 3.84Å; I167-A190 HydrophobicContact CD1-CB 3.68Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 2.77Å; T187-A190 PolarHBondContact O-N 3.06Å; A188-A190 PolarHBondContact O-N 3.09Å; A190-S192 PolarHBondContact O-N 3.27Å; A190-Q193 PolarHBondContact O-N 2.57Å; A190-L194 WeakPolarHBondContact O-CB 3.27Å; A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.32Å; A190-L194 PolarHBondContact O-N 3.23Å
191Q98.1Very high98.2Very high3 Ų323.7 Ų23.71%0.01412%0.119CC..Hα-helixtrans-60.4-45176.9-169.9-171.335.900111.7T187 A188 Q193 L194 G195 V198 D222 T226T187-Q191 VanDerWaalsContact O-CB 3.3Å; T187-Q191 WeakPolarHBondContact O-CB 3.43Å; T187-Q191 PolarHBondContact O-N 3.01Å; A188-Q191 WeakPolarHBondContact O-CB 3.28Å; A188-Q191 PolarHBondContact O-N 3.14Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 2.7Å; Q191-L194 PolarHBondContact O-N 3.2Å; Q191-G195 WeakPolarHBondContact O-CA 3.47Å; Q191-G195 PolarHBondContact O-N 3.37Å; Q191-V198 HydrophobicContact CB-CG2 3.88Å; Q191-V198 HydrophobicContact CG-CG2 3.64Å; Q191-V198 VanDerWaalsContact NE2-CG2 3.28Å; Q191-D222 PolarHBondContact NE2-O 2.94Å; Q191-D222 VanDerWaalsContact NE2-O 3.12Å; Q191-T226 PolarHBondContact NE2-OG1 3.37Å
192S96.8Very high98.2Very high72 Ų7221.5 Ų21.550%0.50311%0.109SC..Hα-helixtrans-63.1-34178-47.80000112.5A188 H189 A190 G220A188-S192 PolarHBondContact O-N 2.95Å; A188-S192 PolarHBondContact O-OG 2.95Å; H189-S192 PolarHBondContact O-N 2.85Å; A190-S192 PolarHBondContact O-N 3.27Å; S192-G220 PolarHBondContact OG-O 3.48Å
193Q95.9Very high98.1Very high126 Ų12619.3 Ų19.359%0.58910%0.1SC*.Hα-helixtrans-74.3-36.5177.7-70.9175.446.500112.8H189 A190 Q191H189-Q193 VanDerWaalsContact O-CG 3.29Å; H189-Q193 WeakPolarHBondContact O-CG 3.47Å; H189-Q193 PolarHBondContact O-N 3.44Å; H189-Q193 PolarHBondContact O-NE2 3.35Å; A190-Q193 PolarHBondContact O-N 2.57Å; Q191-Q193 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 2.7Å
194L96.7Very high97.9Very high20 Ų2021.6 Ų21.611%0.10511%0.108CC..Hα-helixtrans-102.6-21.7-167.8-64173.6000114.2V150 V153 L154 A190 Q191 C196V150-L194 HydrophobicContact CG1-CD2 4.43Å; V150-L194 HydrophobicContact CG2-CD1 4.1Å; V150-L194 HydrophobicContact CG2-CG 4.45Å; V153-L194 HydrophobicContact CB-CD1 3.89Å; V153-L194 HydrophobicContact CG1-CD1 3.94Å; V153-L194 HydrophobicContact CG2-CD1 4.11Å; L154-L194 HydrophobicContact CD1-CD2 3.97Å; L154-L194 HydrophobicContact CD2-CD2 3.67Å; L154-L194 HydrophobicContact CG-CD2 3.83Å; A190-L194 WeakPolarHBondContact O-CB 3.27Å; A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.32Å; A190-L194 PolarHBondContact O-N 3.23Å; Q191-L194 PolarHBondContact O-N 3.2Å; L194-C196 HydrophobicContact CB-CB 3.99Å; L194-C196 PolarHBondContact O-N 3Å
195G96.1Very high97.8Very high18 Ų1824.3 Ų24.319%0.18612%0.123CC..  trans63.526.1-171.100000113.2Q191 K349Q191-G195 WeakPolarHBondContact O-CA 3.47Å; Q191-G195 PolarHBondContact O-N 3.37Å; G195-K349 PolarHBondContact O-N 3.44Å
196C96.6Very high97.7Very high0 Ų022.8 Ų22.80%013%0.125CC..  trans-86.2160.7-171.565.70000113.1I167 L194 F348I167-C196 WeakPolarHBondContact CD1-SG 3.37Å; L194-C196 HydrophobicContact CB-CB 3.99Å; L194-C196 PolarHBondContact O-N 3Å; C196-F348 HydrophobicContact CB-CD1 3.73Å; C196-F348 HydrophobicContact CB-CE1 3.24Å; C196-F348 HydrophobicContact CB-CE2 4.47Å; C196-F348 HydrophobicContact CB-CZ 3.66Å
197P98.5Very high97.6Very high0 Ų025 Ų250%014%0.142CC..  trans-66.8145.7168.927.5-33.3000111.4G165 V166 I167 W345 L346 F348G165-P197 WeakPolarHBondContact O-CG 3.09Å; V166-P197 HydrophobicContact CB-CG 4.07Å; V166-P197 HydrophobicContact CG2-CB 4Å; V166-P197 HydrophobicContact CG2-CG 4.03Å; V166-P197 WeakPolarHBondContact CG2-O 2.94Å; I167-P197 PolarHBondContact N-O 2.82Å; P197-W345 HydrophobicContact CB-CD2 4.29Å; P197-W345 HydrophobicContact CB-CG 4.32Å; P197-W345 HydrophobicContact CB-CZ2 4.12Å; P197-W345 VanDerWaalsContact CB-NE1 3.3Å; P197-L346 HydrophobicContact CB-CD2 4.45Å; P197-L346 HydrophobicContact CG-CD2 4.21Å; P197-F348 HydrophobicContact CG-CE2 4.48Å
198V98.9Very high97.6Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-124.2144.6172.9173.80000109.8I167 T187 Q191 I200 K225 T226 V227 W345I167-V198 HydrophobicContact CB-CG2 4.18Å; I167-V198 CarbonylContact O-C 3.52Å; I167-V198 VanDerWaalsContact O-CA 3.28Å; I167-V198 WeakPolarHBondContact O-CA 3.45Å; T187-V198 HydrophobicContact CG2-CG1 3.72Å; T187-V198 HydrophobicContact CG2-CG2 3.98Å; Q191-V198 HydrophobicContact CB-CG2 3.88Å; Q191-V198 HydrophobicContact CG-CG2 3.64Å; Q191-V198 VanDerWaalsContact NE2-CG2 3.28Å; V198-I200 HydrophobicContact CG1-CD1 3.49Å; V198-I200 VanDerWaalsContact CG1-CD1 3.49Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; V198-K225 PolarHBondContact N-O 2.96Å; V198-T226 HydrophobicContact CB-CG2 4.33Å; V198-T226 HydrophobicContact CG1-CG2 4.01Å; V198-T226 CarbonylContact O-C 3.15Å; V198-T226 WeakPolarHBondContact O-CA 3.34Å; V198-V227 PolarHBondContact O-N 3Å; V198-W345 PolarHBondContact O-NE1 3.06Å
199I98.9Very high97.5Very high0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-136.5132.5173-178.1162.5000110.5H26 N98 V166 I167 G168 I170 V227 S229 E252 W345H26-I199 HydrophobicContact CB-CD1 4.31Å; N98-I199 WeakPolarHBondContact ND2-CD1 3.44Å; N98-I199 WeakPolarHBondContact OD1-CG2 3.32Å; V166-I199 HydrophobicContact CG2-CB 4.5Å; V166-I199 HydrophobicContact CG2-CG2 3.76Å; I167-I199 PolarHBondContact O-N 3.47Å; G168-I199 WeakPolarHBondContact CA-O 3.45Å; I170-I199 PolarHBondContact N-O 3Å; I199-V227 HydrophobicContact CB-CB 4.05Å; I199-V227 HydrophobicContact CD1-CB 4.3Å; I199-V227 HydrophobicContact CD1-CG1 4Å; I199-V227 HydrophobicContact CG1-CB 3.92Å; I199-V227 HydrophobicContact CG1-CG1 3.93Å; I199-S229 WeakPolarHBondContact CD1-OG 3.4Å; I199-S229 WeakPolarHBondContact CG1-OG 3.2Å; I199-E252 VanDerWaalsContact CD1-OE2 3.27Å; I199-E252 WeakPolarHBondContact CD1-OE2 3.48Å; I199-W345 HydrophobicContact CB-CH2 4.24Å; I199-W345 HydrophobicContact CB-CZ2 3.88Å; I199-W345 HydrophobicContact CD1-CH2 4.04Å; I199-W345 HydrophobicContact CD1-CZ2 4.47Å; I199-W345 HydrophobicContact CG2-CZ2 4.37Å
200I98.9Very high97.5Very high0 Ų024.8 Ų24.80%015%0.146CC..EExtended strand (participates in β ladder)trans-120.9132.4-171.4-49.3-62.1000111.1I170 L184 V198 P202 V212 L216 T226 V227 M228 S229I170-I200 HydrophobicContact CB-CD1 3.7Å; I170-I200 HydrophobicContact CG1-CD1 4.17Å; I170-I200 HydrophobicContact CG2-CD1 4.25Å; L184-I200 HydrophobicContact CD2-CD1 4.24Å; V198-I200 HydrophobicContact CG1-CD1 3.49Å; V198-I200 VanDerWaalsContact CG1-CD1 3.49Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; I200-P202 VanDerWaalsContact O-CD 3.24Å; I200-P202 WeakPolarHBondContact O-CD 3.08Å; I200-V212 HydrophobicContact CB-CG1 4.27Å; I200-V212 HydrophobicContact CG1-CG1 4.14Å; I200-V212 HydrophobicContact CG2-CG1 3.6Å; I200-V212 HydrophobicContact CG2-CG2 4.39Å; I200-L216 HydrophobicContact CD1-CD1 3.97Å; I200-L216 HydrophobicContact CG1-CD1 4.02Å; I200-T226 HydrophobicContact CG1-CG2 3.85Å; I200-V227 PolarHBondContact N-O 3.36Å; I200-M228 HydrophobicContact CB-SD 4.35Å; I200-M228 HydrophobicContact CG2-SD 4.49Å; I200-S229 WeakPolarHBondContact O-CB 3.44Å; I200-S229 PolarHBondContact O-N 3.1Å; I200-S229 PolarHBondContact O-OG 2.98Å
201H98.7Very high97.5Very high4 Ų427.2 Ų27.22%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-86.8106.6164.9-178.3102.1000109.9Y128 E169 I170 T172 H230Y128-H201 HydrophobicContact CE2-CB 4.17Å; Y128-H201 AromaticContact CE2-CG 3.82Å; Y128-H201 AromaticContact CE2-ND1 3.69Å; Y128-H201 AromaticContact CZ-CE1 3.98Å; Y128-H201 AromaticContact CZ-ND1 3.96Å; Y128-H201 PolarHBondContact OH-CE1 3.33Å; Y128-H201 PolarHBondContact OH-ND1 2.96Å; E169-H201 HydrophobicContact CB-CB 4.43Å; E169-H201 HydrophobicContact CG-CB 4.48Å; E169-H201 VanDerWaalsContact OE2-CB 3.23Å; E169-H201 WeakPolarHBondContact OE2-CB 3.34Å; E169-H201 IonicContact OE2-CG 3.94Å; E169-H201 IonicContact OE2-ND1 3.2Å; E169-H201 PolarHBondContact OE2-ND1 3.38Å; I170-H201 PolarHBondContact O-N 3.05Å; T172-H201 PolarHBondContact N-O 3.29Å; T172-H201 PolarHBondContact OG1-O 3.4Å; H201-H230 AromaticContact CE1-CD2 3.6Å; H201-H230 AromaticContact CE1-NE2 3.37Å; H201-H230 PolarHBondContact CE1-NE2 3.49Å; H201-H230 AromaticContact CG-CD2 3.91Å; H201-H230 AromaticContact CG-NE2 3.85Å; H201-H230 AromaticContact ND1-CD2 3.31Å; H201-H230 PolarHBondContact ND1-CD2 3.35Å; H201-H230 VanDerWaalsContact ND1-CD2 3.31Å; H201-H230 AromaticContact ND1-NE2 2.91Å; H201-H230 PolarHBondContact ND1-NE2 2.96Å
202P98.3Very high97.6Very high0 Ų027 Ų270%016%0.157CC..  trans-77.3156.3176.731.5-35.2000112T172 I200 A208 P209 M228 S229 H230 R233T172-P202 CarbonylContact O-C 3.55Å; T172-P202 WeakPolarHBondContact OG1-CA 3.09Å; I200-P202 VanDerWaalsContact O-CD 3.24Å; I200-P202 WeakPolarHBondContact O-CD 3.08Å; P202-A208 HydrophobicContact CB-CB 4.46Å; P202-P209 HydrophobicContact CB-CG 4.11Å; P202-M228 HydrophobicContact CB-SD 3.71Å; P202-M228 HydrophobicContact CG-CG 4.44Å; P202-M228 HydrophobicContact CG-SD 3.78Å; P202-S229 WeakPolarHBondContact CD-O 3.38Å; P202-S229 WeakPolarHBondContact CG-O 3.12Å; P202-H230 HydrophobicContact CG-CB 4.46Å; P202-R233 PolarHBondContact O-NH2 2.95Å
203G97.3Very high97.6Very high0 Ų023.6 Ų23.60%013%0.133CC..  trans-52.3168.8159.100000112.5T172 D205 R233T172-G203 WeakPolarHBondContact O-CA 3.31Å; T172-G203 PolarHBondContact O-N 3.37Å; T172-G203 VanDerWaalsContact O-N 3.09Å; T172-G203 PolarHBondContact OG1-N 3.02Å; G203-D205 VanDerWaalsContact C-N 3.3Å; G203-D205 PolarHBondContact O-N 3.38Å; G203-R233 PolarHBondContact O-NH1 3.33Å
204R95.6Very high97.8Very high48 Ų4822.1 Ų22.118%0.18112%0.122CC..SBendtrans-92.510.5-173.8-66.5147179.394.9-7.3113.9Y263 N266R204-Y263 HydrophobicContact CG-CE1 4.37Å; R204-Y263 PolarHBondContact NE-OH 3.23Å; R204-N266 PolarHBondContact O-ND2 2.92Å
205D96.4Very high97.9Very high57 Ų5721.4 Ų21.431%0.30512%0.118SC..SBendtrans-98.7138.7177.3-169.9-72.4000109.5W174 G203 A207 A208 T234W174-D205 HydrophobicContact CB-CB 4.1Å; W174-D205 HydrophobicContact CD2-CB 3.68Å; W174-D205 HydrophobicContact CG-CB 3.43Å; W174-D205 VanDerWaalsContact CG-CB 3.43Å; W174-D205 HydrophobicContact CZ2-CB 4.45Å; W174-D205 VanDerWaalsContact NE1-CB 3.33Å; W174-D205 PolarHBondContact NE1-OD2 2.91Å; G203-D205 VanDerWaalsContact C-N 3.3Å; G203-D205 PolarHBondContact O-N 3.38Å; D205-A207 PolarHBondContact O-N 3.06Å; D205-A207 VanDerWaalsContact O-N 3.1Å; D205-A207 WeakPolarHBondContact OD1-CB 3.48Å; D205-A207 PolarHBondContact OD1-N 3.37Å; D205-A208 VanDerWaalsContact O-CB 3.26Å; D205-A208 WeakPolarHBondContact O-CB 3.37Å; D205-A208 PolarHBondContact O-N 2.7Å; D205-T234 WeakPolarHBondContact O-CG2 3.32Å
206P95.9Very high98Very high60 Ų6020.6 Ų20.639%0.3911%0.109SC..THydrogen-bonded Turntrans-55.4-26178.5-25.633.9000114.5P209P206-P209 WeakPolarHBondContact O-CD 3.25Å
207A97.1Very high98Very high45 Ų4525.1 Ų25.137%0.37213%0.131SC..THydrogen-bonded Turntrans-80.1-14.3177.200000113.9W174 D205 V210 E211W174-A207 HydrophobicContact CH2-CB 3.71Å; W174-A207 HydrophobicContact CZ2-CB 3.83Å; D205-A207 PolarHBondContact O-N 3.06Å; D205-A207 VanDerWaalsContact O-N 3.1Å; D205-A207 WeakPolarHBondContact OD1-CB 3.48Å; D205-A207 PolarHBondContact OD1-N 3.37Å; A207-V210 PolarHBondContact O-N 2.9Å; A207-E211 PolarHBondContact O-N 2.81Å
208A98.1Very high98Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-62.9-45.7-174.800000113.6W174 P202 D205 V210 E211 V212W174-A208 HydrophobicContact CD2-CB 4.29Å; W174-A208 HydrophobicContact CE3-CB 3.62Å; W174-A208 HydrophobicContact CZ3-CB 4.02Å; P202-A208 HydrophobicContact CB-CB 4.46Å; D205-A208 VanDerWaalsContact O-CB 3.26Å; D205-A208 WeakPolarHBondContact O-CB 3.37Å; D205-A208 PolarHBondContact O-N 2.7Å; A208-V210 VanDerWaalsContact C-N 3.34Å; A208-V210 PolarHBondContact O-N 3.22Å; A208-E211 PolarHBondContact O-N 2.96Å; A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.4Å
209P98.5Very high98Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-56.4-43.8178.2-29.839.1000113.9P202 P206 V212 V213 M228 L231 T234 I235 F244P202-P209 HydrophobicContact CB-CG 4.11Å; P206-P209 WeakPolarHBondContact O-CD 3.25Å; P209-V212 PolarHBondContact O-N 3.16Å; P209-V213 WeakPolarHBondContact O-CG2 3.44Å; P209-V213 PolarHBondContact O-N 2.97Å; P209-M228 HydrophobicContact CB-CE 4.05Å; P209-M228 HydrophobicContact CB-CG 4.01Å; P209-M228 HydrophobicContact CB-SD 4.02Å; P209-M228 HydrophobicContact CG-CG 4.42Å; P209-M228 HydrophobicContact CG-SD 4.41Å; P209-L231 HydrophobicContact CG-CD2 4.28Å; P209-T234 HydrophobicContact CG-CG2 3.81Å; P209-I235 HydrophobicContact CB-CD1 4.32Å; P209-I235 HydrophobicContact CG-CD1 4.12Å; P209-I235 HydrophobicContact CG-CG1 4.39Å; P209-F244 HydrophobicContact CB-CD2 3.92Å; P209-F244 HydrophobicContact CB-CE1 4.36Å; P209-F244 HydrophobicContact CB-CE2 3.46Å; P209-F244 VanDerWaalsContact CB-CE2 3.46Å; P209-F244 HydrophobicContact CB-CZ 3.72Å
210V98.3Very high97.9Very high68 Ų6834.3 Ų34.341%0.41219%0.188SC..Hα-helixtrans-65.2-44.3179.9175.40000110.9A207 A208 V212 V213 R214 F244 M247A207-V210 PolarHBondContact O-N 2.9Å; A208-V210 VanDerWaalsContact C-N 3.34Å; A208-V210 PolarHBondContact O-N 3.22Å; V210-V212 PolarHBondContact O-N 2.65Å; V210-V213 PolarHBondContact O-N 3.09Å; V210-R214 WeakPolarHBondContact O-CB 3.26Å; V210-R214 PolarHBondContact O-N 2.98Å; V210-F244 HydrophobicContact CG2-CD2 3.95Å; V210-M247 HydrophobicContact CG1-CE 4.33Å; V210-M247 HydrophobicContact CG1-SD 4.36Å; V210-M247 HydrophobicContact CG2-SD 4.22Å
211E98.6Very high97.9Very high50 Ų5034.9 Ų34.923%0.23419%0.194CC..Hα-helixtrans-65-39.3179.1178.664.1-179.500112W174 I176 A207 A208 R214 I215W174-E211 HydrophobicContact CZ3-CB 4.08Å; W174-E211 HydrophobicContact CZ3-CG 4.3Å; I176-E211 HydrophobicContact CD1-CB 4.23Å; I176-E211 HydrophobicContact CD1-CG 3.67Å; I176-E211 HydrophobicContact CG1-CG 4.45Å; A207-E211 PolarHBondContact O-N 2.81Å; A208-E211 PolarHBondContact O-N 2.96Å; E211-R214 VanDerWaalsContact CD-NH2 3.3Å; E211-R214 PolarHBondContact O-N 3.45Å; E211-R214 IonicContact OE1-CZ 2.74Å; E211-R214 IonicContact OE1-NE 3.35Å; E211-R214 IonicContact OE1-NH2 2.7Å; E211-R214 PolarHBondContact OE1-NH2 3.02Å; E211-R214 IonicContact OE2-CZ 2.77Å; E211-R214 IonicContact OE2-NE 2.74Å; E211-R214 PolarHBondContact OE2-NE 3.2Å; E211-R214 IonicContact OE2-NH2 3.42Å; E211-R214 PolarHBondContact OE2-NH2 3.24Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.5Å; E211-I215 PolarHBondContact O-N 3.37Å
212V98.8Very high97.9Very high0 Ų037.2 Ų37.20%021%0.207CC..Hα-helixtrans-59.2-50.1173165.70000111.1T172 I176 L184 I200 A208 P209 V210 R214 I215 L216 M228T172-V212 HydrophobicContact CG2-CG2 3.98Å; I176-V212 HydrophobicContact CD1-CG2 3.73Å; L184-V212 HydrophobicContact CD1-CG2 4.44Å; L184-V212 HydrophobicContact CD2-CG1 4.12Å; I200-V212 HydrophobicContact CB-CG1 4.27Å; I200-V212 HydrophobicContact CG1-CG1 4.14Å; I200-V212 HydrophobicContact CG2-CG1 3.6Å; I200-V212 HydrophobicContact CG2-CG2 4.39Å; A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.4Å; P209-V212 PolarHBondContact O-N 3.16Å; V210-V212 PolarHBondContact O-N 2.65Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.29Å; V212-I215 PolarHBondContact O-N 3.34Å; V212-L216 HydrophobicContact CG1-CD1 4Å; V212-L216 PolarHBondContact O-N 3.22Å; V212-M228 HydrophobicContact CB-CE 3.99Å; V212-M228 HydrophobicContact CG1-CE 3.72Å
213V98.4Very high97.9Very high0 Ų037.6 Ų37.60%021%0.208CC..Hα-helixtrans-59.8-43.3179.61690000110.5P209 V210 I215 L216 Q217 I223 M228 F244 M247P209-V213 WeakPolarHBondContact O-CG2 3.44Å; P209-V213 PolarHBondContact O-N 2.97Å; V210-V213 PolarHBondContact O-N 3.09Å; V213-I215 PolarHBondContact O-N 3.35Å; V213-L216 PolarHBondContact O-N 2.6Å; V213-Q217 HydrophobicContact CG1-CG 4.24Å; V213-Q217 WeakPolarHBondContact O-CB 3.19Å; V213-Q217 WeakPolarHBondContact O-CG 3.2Å; V213-Q217 PolarHBondContact O-N 3.48Å; V213-I223 HydrophobicContact CB-CD1 4.48Å; V213-I223 HydrophobicContact CG1-CD1 3.9Å; V213-I223 HydrophobicContact CG1-CG1 3.96Å; V213-I223 HydrophobicContact CG1-CG2 4.25Å; V213-I223 HydrophobicContact CG2-CD1 4.5Å; V213-M228 HydrophobicContact CG2-CE 4.03Å; V213-F244 HydrophobicContact CG2-CE2 3.77Å; V213-F244 HydrophobicContact CG2-CZ 4.14Å; V213-M247 HydrophobicContact CB-CE 3.93Å; V213-M247 HydrophobicContact CB-SD 4.45Å; V213-M247 HydrophobicContact CG1-CB 4.4Å; V213-M247 HydrophobicContact CG1-CE 3.4Å; V213-M247 HydrophobicContact CG1-SD 4.22Å
214R98.6Very high97.9Very high94 Ų9440 Ų4036%0.35523%0.225SC..Hα-helixtrans-57-51.3176.7-171.7-172.569.474.55.2111.5V210 E211 V212 L216 Q217 E218V210-R214 WeakPolarHBondContact O-CB 3.26Å; V210-R214 PolarHBondContact O-N 2.98Å; E211-R214 VanDerWaalsContact CD-NH2 3.3Å; E211-R214 PolarHBondContact O-N 3.45Å; E211-R214 IonicContact OE1-CZ 2.74Å; E211-R214 IonicContact OE1-NE 3.35Å; E211-R214 IonicContact OE1-NH2 2.7Å; E211-R214 PolarHBondContact OE1-NH2 3.02Å; E211-R214 IonicContact OE2-CZ 2.77Å; E211-R214 IonicContact OE2-NE 2.74Å; E211-R214 PolarHBondContact OE2-NE 3.2Å; E211-R214 IonicContact OE2-NH2 3.42Å; E211-R214 PolarHBondContact OE2-NH2 3.24Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.29Å; R214-L216 PolarHBondContact O-N 3.19Å; R214-Q217 PolarHBondContact O-N 3.04Å; R214-E218 WeakPolarHBondContact CG-OE1 3.38Å; R214-E218 IonicContact CZ-OE1 2.62Å; R214-E218 IonicContact CZ-OE2 3.65Å; R214-E218 IonicContact NH1-OE1 3.69Å; R214-E218 PolarHBondContact NH1-OE1 3.31Å; R214-E218 IonicContact NH1-OE2 3.78Å; R214-E218 PolarHBondContact NH1-OE2 3.46Å; R214-E218 WeakPolarHBondContact O-CB 3.42Å; R214-E218 VanDerWaalsContact O-CG 3.31Å; R214-E218 WeakPolarHBondContact O-CG 3.21Å; R214-E218 PolarHBondContact O-N 3.08Å
215I98.7Very high98Very high6 Ų638.4 Ų38.43%0.03122%0.219CC..Hα-helixtrans-61.8-42.8-179.9-66.2160.8000111.4I176 K181 L184 R185 E211 V212 V213 A219I176-I215 HydrophobicContact CD1-CD1 3.86Å; K181-I215 HydrophobicContact CG-CD1 4.09Å; L184-I215 HydrophobicContact CB-CG2 3.77Å; L184-I215 HydrophobicContact CD1-CB 4.19Å; L184-I215 HydrophobicContact CD1-CD1 3.94Å; L184-I215 HydrophobicContact CD1-CG2 3.96Å; R185-I215 HydrophobicContact CG-CG2 4.29Å; E211-I215 HydrophobicContact CG-CD1 4.04Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.5Å; E211-I215 PolarHBondContact O-N 3.37Å; V212-I215 PolarHBondContact O-N 3.34Å; V213-I215 PolarHBondContact O-N 3.35Å; I215-A219 WeakPolarHBondContact O-CB 3.23Å; I215-A219 PolarHBondContact O-N 2.81Å
216L98.4Very high98.1Very high0 Ų035.7 Ų35.70%021%0.205CC..Hα-helixtrans-63.8-46.8177.8-76172.5000111.5L184 T187 A188 I200 V212 V213 R214 A219 G220 G221 I223 T226L184-L216 HydrophobicContact CB-CD2 4.41Å; L184-L216 HydrophobicContact CD2-CD2 4.22Å; L184-L216 HydrophobicContact CD2-CG 4.26Å; L184-L216 VanDerWaalsContact O-CD2 3.32Å; L184-L216 WeakPolarHBondContact O-CD2 3.18Å; T187-L216 HydrophobicContact CG2-CD2 4.17Å; A188-L216 HydrophobicContact CB-CD2 4.06Å; I200-L216 HydrophobicContact CD1-CD1 3.97Å; I200-L216 HydrophobicContact CG1-CD1 4.02Å; V212-L216 HydrophobicContact CG1-CD1 4Å; V212-L216 PolarHBondContact O-N 3.22Å; V213-L216 PolarHBondContact O-N 2.6Å; R214-L216 PolarHBondContact O-N 3.19Å; L216-A219 CarbonylContact O-C 3.58Å; L216-A219 PolarHBondContact O-N 3.07Å; L216-G220 PolarHBondContact O-N 3.34Å; L216-G221 WeakPolarHBondContact O-CA 3.41Å; L216-G221 PolarHBondContact O-N 2.99Å; L216-I223 HydrophobicContact CB-CD1 3.97Å; L216-I223 HydrophobicContact CD1-CD1 4.44Å; L216-T226 HydrophobicContact CD1-CG2 4.06Å
217Q97.9Very high98.2Very high96 Ų9632.8 Ų32.845%0.44919%0.186SC..Hα-helixtrans-62.5-45.7179.4-76.1-178.3-47.200112.3V213 R214 A219 G220 I223V213-Q217 HydrophobicContact CG1-CG 4.24Å; V213-Q217 WeakPolarHBondContact O-CB 3.19Å; V213-Q217 WeakPolarHBondContact O-CG 3.2Å; V213-Q217 PolarHBondContact O-N 3.48Å; R214-Q217 PolarHBondContact O-N 3.04Å; Q217-A219 PolarHBondContact O-N 2.91Å; Q217-G220 PolarHBondContact O-N 2.96Å; Q217-I223 HydrophobicContact CG-CD1 3.75Å; Q217-I223 HydrophobicContact CG-CG1 3.23Å
218E98.4Very high98.3Very high133 Ų13330.7 Ų30.762%0.62117%0.169SC*.Hα-helixtrans-59.4-30177.2-75.2174.1-176.700112.3R214R214-E218 WeakPolarHBondContact CG-OE1 3.38Å; R214-E218 IonicContact CZ-OE1 2.62Å; R214-E218 IonicContact CZ-OE2 3.65Å; R214-E218 IonicContact NH1-OE1 3.69Å; R214-E218 PolarHBondContact NH1-OE1 3.31Å; R214-E218 IonicContact NH1-OE2 3.78Å; R214-E218 PolarHBondContact NH1-OE2 3.46Å; R214-E218 WeakPolarHBondContact O-CB 3.42Å; R214-E218 VanDerWaalsContact O-CG 3.31Å; R214-E218 WeakPolarHBondContact O-CG 3.21Å; R214-E218 PolarHBondContact O-N 3.08Å
219A98.4Very high98.4Very high16 Ų1630.7 Ų30.713%0.13217%0.169CC..THydrogen-bonded Turntrans-88.41.6176.500000114.3R185 A188 H189 I215 L216 Q217R185-A219 HydrophobicContact CB-CB 4.19Å; R185-A219 HydrophobicContact CG-CB 4.05Å; A188-A219 HydrophobicContact CB-CB 3.51Å; H189-A219 PolarHBondContact CE1-O 3.19Å; H189-A219 VanDerWaalsContact CE1-O 3.27Å; H189-A219 PolarHBondContact ND1-O 3.22Å; I215-A219 WeakPolarHBondContact O-CB 3.23Å; I215-A219 PolarHBondContact O-N 2.81Å; L216-A219 CarbonylContact O-C 3.58Å; L216-A219 PolarHBondContact O-N 3.07Å; Q217-A219 PolarHBondContact O-N 2.91Å
220G97.2Very high98.3Very high44 Ų4430.9 Ų30.945%0.45417%0.169SC..THydrogen-bonded Turntrans93.512.3176.900000115.7S192 L216 Q217S192-G220 PolarHBondContact OG-O 3.48Å; L216-G220 PolarHBondContact O-N 3.34Å; Q217-G220 PolarHBondContact O-N 2.96Å
221G98Very high98.3Very high11 Ų1127.6 Ų27.611%0.11315%0.15CC..  trans-67.8145.7177.800000112.9L216L216-G221 WeakPolarHBondContact O-CA 3.41Å; L216-G221 PolarHBondContact O-N 2.99Å
222D98.2Very high98.2Very high54 Ų5425.5 Ų25.529%0.28914%0.14SC..  trans-94.697.5177.8179.25.2000110.9Q191 S224 K225 T226 K349Q191-D222 PolarHBondContact NE2-O 2.94Å; Q191-D222 VanDerWaalsContact NE2-O 3.12Å; D222-S224 VanDerWaalsContact CG-OG 3.3Å; D222-S224 PolarHBondContact O-N 2.95Å; D222-S224 VanDerWaalsContact OD1-CB 3.3Å; D222-S224 WeakPolarHBondContact OD1-CB 3.24Å; D222-S224 PolarHBondContact OD1-N 3.05Å; D222-S224 PolarHBondContact OD1-OG 3.17Å; D222-S224 PolarHBondContact OD2-OG 2.98Å; D222-K225 HydrophobicContact CB-CB 4.46Å; D222-K225 PolarHBondContact O-N 3.42Å; D222-T226 PolarHBondContact O-N 3.2Å; D222-T226 PolarHBondContact O-OG1 2.89Å; D222-K349 IonicContact OD2-NZ 2.73Å; D222-K349 PolarHBondContact OD2-NZ 3.03Å
223I98.3Very high98Very high7 Ų725.6 Ų25.64%0.03614%0.141CC..G310 helixtrans-62-27.7-179-57-53.2000112.6V213 L216 Q217 K225 T226 M247 S249V213-I223 HydrophobicContact CB-CD1 4.48Å; V213-I223 HydrophobicContact CG1-CD1 3.9Å; V213-I223 HydrophobicContact CG1-CG1 3.96Å; V213-I223 HydrophobicContact CG1-CG2 4.25Å; V213-I223 HydrophobicContact CG2-CD1 4.5Å; L216-I223 HydrophobicContact CB-CD1 3.97Å; L216-I223 HydrophobicContact CD1-CD1 4.44Å; Q217-I223 HydrophobicContact CG-CD1 3.75Å; Q217-I223 HydrophobicContact CG-CG1 3.23Å; I223-K225 PolarHBondContact O-N 3.28Å; I223-T226 PolarHBondContact O-N 3.26Å; I223-M247 WeakPolarHBondContact CG2-O 3.42Å; I223-S249 WeakPolarHBondContact O-CA 3.37Å
224S97.6Very high98Very high50 Ų5025.7 Ų25.735%0.3514%0.141SC..G310 helixtrans-65.1-14.8176.478.60000113.3D222 Y250 K292D222-S224 VanDerWaalsContact CG-OG 3.3Å; D222-S224 PolarHBondContact O-N 2.95Å; D222-S224 VanDerWaalsContact OD1-CB 3.3Å; D222-S224 WeakPolarHBondContact OD1-CB 3.24Å; D222-S224 PolarHBondContact OD1-N 3.05Å; D222-S224 PolarHBondContact OD1-OG 3.17Å; D222-S224 PolarHBondContact OD2-OG 2.98Å; S224-Y250 WeakPolarHBondContact O-CE2 3.49Å; S224-K292 PolarHBondContact O-NZ 3.34Å
225K97.8Very high97.9Very high15 Ų1521.7 Ų21.77%0.06513%0.126CC..G310 helixtrans-113.112.6177.1-78.6-63.6-156.5166.40113.6V198 D222 I223 R344 W345 T347 K349V198-K225 PolarHBondContact N-O 2.96Å; D222-K225 HydrophobicContact CB-CB 4.46Å; D222-K225 PolarHBondContact O-N 3.42Å; I223-K225 PolarHBondContact O-N 3.28Å; K225-R344 PolarHBondContact NZ-O 3.07Å; K225-W345 PolarHBondContact NZ-O 3.08Å; K225-W345 PolarHBondContact O-NE1 3.06Å; K225-T347 PolarHBondContact NZ-O 3.32Å; K225-K349 VanDerWaalsContact CE-CE 3.47Å; K225-K349 HydrophobicContact CG-CD 4.3Å
226T98.8Very high97.7Very high0 Ų026.4 Ų26.40%015%0.147CC..EExtended strand (participates in β ladder)trans-111.2135-179.3-60.10000110.8Q191 V198 I200 L216 D222 I223 S249 Y250Q191-T226 PolarHBondContact NE2-OG1 3.37Å; V198-T226 HydrophobicContact CB-CG2 4.33Å; V198-T226 HydrophobicContact CG1-CG2 4.01Å; V198-T226 CarbonylContact O-C 3.15Å; V198-T226 WeakPolarHBondContact O-CA 3.34Å; I200-T226 HydrophobicContact CG1-CG2 3.85Å; L216-T226 HydrophobicContact CD1-CG2 4.06Å; D222-T226 PolarHBondContact O-N 3.2Å; D222-T226 PolarHBondContact O-OG1 2.89Å; I223-T226 PolarHBondContact O-N 3.26Å; T226-S249 WeakPolarHBondContact O-CB 3.49Å; T226-Y250 PolarHBondContact O-N 3.39Å
227V98.9Very high97.6Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-98.6134.1170.8176.90000109.3V198 I199 I200 Y250 E252 L294 W345V198-V227 PolarHBondContact O-N 3Å; I199-V227 HydrophobicContact CB-CB 4.05Å; I199-V227 HydrophobicContact CD1-CB 4.3Å; I199-V227 HydrophobicContact CD1-CG1 4Å; I199-V227 HydrophobicContact CG1-CB 3.92Å; I199-V227 HydrophobicContact CG1-CG1 3.93Å; I200-V227 PolarHBondContact N-O 3.36Å; V227-Y250 HydrophobicContact CG2-CD2 4.42Å; V227-Y250 HydrophobicContact CG2-CG 4.32Å; V227-E252 HydrophobicContact CG1-CB 3.47Å; V227-E252 VanDerWaalsContact CG1-CB 3.47Å; V227-E252 HydrophobicContact CG1-CG 4.21Å; V227-L294 HydrophobicContact CB-CD1 4.44Å; V227-L294 HydrophobicContact CG1-CD1 4.16Å; V227-L294 HydrophobicContact CG2-CD1 3.39Å; V227-W345 HydrophobicContact CB-CZ2 4.22Å; V227-W345 HydrophobicContact CG2-CD2 3.61Å; V227-W345 HydrophobicContact CG2-CE3 4.14Å; V227-W345 HydrophobicContact CG2-CG 4.09Å; V227-W345 HydrophobicContact CG2-CH2 4Å; V227-W345 HydrophobicContact CG2-CZ2 3.47Å; V227-W345 VanDerWaalsContact CG2-CZ2 3.47Å; V227-W345 HydrophobicContact CG2-CZ3 4.31Å
228M98.9Very high97.6Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-101.8110.6165.4-172.863.561.900109.1I200 P202 P209 V212 V213 L231 F244 Y250 E252I200-M228 HydrophobicContact CB-SD 4.35Å; I200-M228 HydrophobicContact CG2-SD 4.49Å; P202-M228 HydrophobicContact CB-SD 3.71Å; P202-M228 HydrophobicContact CG-CG 4.44Å; P202-M228 HydrophobicContact CG-SD 3.78Å; P209-M228 HydrophobicContact CB-CE 4.05Å; P209-M228 HydrophobicContact CB-CG 4.01Å; P209-M228 HydrophobicContact CB-SD 4.02Å; P209-M228 HydrophobicContact CG-CG 4.42Å; P209-M228 HydrophobicContact CG-SD 4.41Å; V212-M228 HydrophobicContact CB-CE 3.99Å; V212-M228 HydrophobicContact CG1-CE 3.72Å; V213-M228 HydrophobicContact CG2-CE 4.03Å; M228-L231 HydrophobicContact CB-CD2 4.45Å; M228-L231 HydrophobicContact CG-CD2 3.72Å; M228-L231 HydrophobicContact CG-CG 4.23Å; M228-F244 HydrophobicContact CB-CE1 3.85Å; M228-F244 HydrophobicContact CB-CZ 3.7Å; M228-F244 HydrophobicContact CE-CE2 4.36Å; M228-F244 HydrophobicContact CE-CZ 3.9Å; M228-F244 HydrophobicContact CG-CE1 3.92Å; M228-F244 HydrophobicContact CG-CZ 3.65Å; M228-Y250 PolarHBondContact N-O 3.26Å; M228-E252 WeakPolarHBondContact O-CB 3.41Å; M228-E252 PolarHBondContact O-N 3.42Å; M228-E252 VanDerWaalsContact O-N 3.07Å
229S98.8Very high97.6Very high0 Ų026.6 Ų26.60%016%0.16CC..  trans-76.5166.5179-60.40000112.2H26 I199 I200 P202 L231 E252 D254H26-S229 PolarHBondContact ND1-OG 3.05Å; I199-S229 WeakPolarHBondContact CD1-OG 3.4Å; I199-S229 WeakPolarHBondContact CG1-OG 3.2Å; I200-S229 WeakPolarHBondContact O-CB 3.44Å; I200-S229 PolarHBondContact O-N 3.1Å; I200-S229 PolarHBondContact O-OG 2.98Å; P202-S229 WeakPolarHBondContact CD-O 3.38Å; P202-S229 WeakPolarHBondContact CG-O 3.12Å; S229-L231 VanDerWaalsContact C-N 3.25Å; S229-L231 PolarHBondContact O-N 2.99Å; S229-L231 VanDerWaalsContact O-N 3.15Å; S229-E252 WeakPolarHBondContact CB-OE2 3.41Å; S229-E252 PolarHBondContact OG-OE2 3.19Å; S229-D254 VanDerWaalsContact CA-OD2 3.25Å; S229-D254 WeakPolarHBondContact CA-OD2 3.49Å; S229-D254 WeakPolarHBondContact CB-OD2 3.43Å
230H98.3Very high97.6Very high4 Ų430.5 Ų30.52%0.01918%0.175CC..  trans56.530.9169.9-47.3-43.1000115.2H26 E169 H201 P202 D232 R233 T234 D254 D298H26-H230 AromaticContact CE1-CE1 3.56Å; H26-H230 AromaticContact CE1-NE2 3.88Å; E169-H230 IonicContact OE2-NE2 3.26Å; H201-H230 AromaticContact CE1-CD2 3.6Å; H201-H230 AromaticContact CE1-NE2 3.37Å; H201-H230 PolarHBondContact CE1-NE2 3.49Å; H201-H230 AromaticContact CG-CD2 3.91Å; H201-H230 AromaticContact CG-NE2 3.85Å; H201-H230 AromaticContact ND1-CD2 3.31Å; H201-H230 PolarHBondContact ND1-CD2 3.35Å; H201-H230 VanDerWaalsContact ND1-CD2 3.31Å; H201-H230 AromaticContact ND1-NE2 2.91Å; H201-H230 PolarHBondContact ND1-NE2 2.96Å; P202-H230 HydrophobicContact CG-CB 4.46Å; H230-D232 PolarHBondContact O-N 3.13Å; H230-R233 HydrophobicContact CB-CG 3.92Å; H230-R233 PolarHBondContact CD2-NH2 2.89Å; H230-R233 VanDerWaalsContact O-CG 3.31Å; H230-R233 WeakPolarHBondContact O-CG 3.49Å; H230-R233 PolarHBondContact O-N 3.45Å; H230-T234 WeakPolarHBondContact O-CB 3.45Å; H230-T234 PolarHBondContact O-OG1 3.33Å; H230-D254 WeakPolarHBondContact CA-OD1 3.16Å; H230-D254 IonicContact CE1-OD1 3.75Å; H230-D254 IonicContact CE1-OD2 4Å; H230-D254 IonicContact CG-OD1 2.67Å; H230-D254 PolarHBondContact N-OD1 3.41Å; H230-D254 PolarHBondContact N-OD2 3.43Å; H230-D254 VanDerWaalsContact ND1-CG 3.32Å; H230-D254 IonicContact ND1-OD1 2.8Å; H230-D254 PolarHBondContact ND1-OD1 3.21Å; H230-D254 IonicContact ND1-OD2 2.91Å; H230-D254 PolarHBondContact ND1-OD2 2.95Å; H230-D298 IonicContact CE1-OD2 3.7Å; H230-D298 PolarHBondContact CE1-OD2 3.41Å
231L98.3Very high97.6Very high0 Ų028.6 Ų28.60%016%0.155CC..G310 helixtrans-64.3-26.5176.4-68.8-179.1000111.4P209 M228 S229 R233 T234 I235 F244 L251 E252 Y253P209-L231 HydrophobicContact CG-CD2 4.28Å; M228-L231 HydrophobicContact CB-CD2 4.45Å; M228-L231 HydrophobicContact CG-CD2 3.72Å; M228-L231 HydrophobicContact CG-CG 4.23Å; S229-L231 VanDerWaalsContact C-N 3.25Å; S229-L231 PolarHBondContact O-N 2.99Å; S229-L231 VanDerWaalsContact O-N 3.15Å; L231-R233 PolarHBondContact O-N 3.46Å; L231-R233 VanDerWaalsContact O-N 3.09Å; L231-T234 PolarHBondContact O-N 3.41Å; L231-T234 VanDerWaalsContact O-N 3.14Å; L231-I235 HydrophobicContact CD2-CD1 4.01Å; L231-I235 HydrophobicContact CD2-CG1 4.34Å; L231-I235 PolarHBondContact O-N 3.06Å; L231-F244 HydrophobicContact CD1-CD1 4.34Å; L231-F244 HydrophobicContact CD1-CE1 4.08Å; L231-F244 HydrophobicContact CD2-CD1 4.29Å; L231-F244 HydrophobicContact CD2-CE1 4.01Å; L231-L251 HydrophobicContact CD1-CB 3.65Å; L231-L251 HydrophobicContact CD1-CD2 3.48Å; L231-L251 VanDerWaalsContact CD1-CD2 3.48Å; L231-L251 HydrophobicContact CD1-CG 4.16Å; L231-E252 PolarHBondContact N-O 3.29Å; L231-Y253 HydrophobicContact CB-CE2 4.35Å
232D95.8Very high97.6Very high5 Ų530.1 Ų30.13%0.02716%0.16CC..G310 helixtrans-53.4-32.5177.4-32.5-121.6000113.4H230 F236 Y253 D254 L255 P272 R277H230-D232 PolarHBondContact O-N 3.13Å; D232-F236 WeakPolarHBondContact O-CE1 3.42Å; D232-Y253 HydrophobicContact CB-CD1 4.06Å; D232-Y253 HydrophobicContact CB-CE1 4.46Å; D232-Y253 VanDerWaalsContact OD1-CA 3.27Å; D232-Y253 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y253 VanDerWaalsContact OD1-CB 3.27Å; D232-Y253 WeakPolarHBondContact OD1-CB 3.39Å; D232-Y253 WeakPolarHBondContact OD1-CD1 3.43Å; D232-Y253 VanDerWaalsContact OD2-CA 3.32Å; D232-Y253 WeakPolarHBondContact OD2-CA 3.47Å; D232-D254 PolarHBondContact OD2-N 3.21Å; D232-L255 HydrophobicContact CB-CB 4.32Å; D232-L255 HydrophobicContact CB-CD1 4.47Å; D232-P272 WeakPolarHBondContact O-CD 3.21Å; D232-P272 WeakPolarHBondContact O-CG 3.01Å; D232-R277 WeakPolarHBondContact OD1-CD 3.37Å; D232-R277 IonicContact OD1-NE 3.4Å; D232-R277 PolarHBondContact OD1-NE 3.31Å
233R95.3Very high97.6Very high3 Ų334.6 Ų34.61%0.01118%0.179CC..G310 helixtrans-110.54.1-174.864.6135.2173.593.9-9.4113.7P202 G203 H230 L231 F236 L255 Y263 V269 M271P202-R233 PolarHBondContact O-NH2 2.95Å; G203-R233 PolarHBondContact O-NH1 3.33Å; H230-R233 HydrophobicContact CB-CG 3.92Å; H230-R233 PolarHBondContact CD2-NH2 2.89Å; H230-R233 VanDerWaalsContact O-CG 3.31Å; H230-R233 WeakPolarHBondContact O-CG 3.49Å; H230-R233 PolarHBondContact O-N 3.45Å; L231-R233 PolarHBondContact O-N 3.46Å; L231-R233 VanDerWaalsContact O-N 3.09Å; R233-F236 VanDerWaalsContact C-CZ 3.41Å; R233-F236 WeakPolarHBondContact O-CZ 3.4Å; R233-L255 HydrophobicContact CB-CD1 4.03Å; R233-L255 HydrophobicContact CG-CD1 3.84Å; R233-Y263 WeakPolarHBondContact CD-OH 3.46Å; R233-Y263 PolarHBondContact NE-OH 2.95Å; R233-V269 HydrophobicContact CB-CG1 4.5Å; R233-M271 HydrophobicContact CB-CE 4.39Å; R233-M271 HydrophobicContact CB-SD 3.84Å
234T96.6Very high97.6Very high2 Ų234.4 Ų34.41%0.01218%0.178CC..THydrogen-bonded Turntrans-123.4-45.8-165.2-49.70000112.7D205 P209 H230 L231D205-T234 WeakPolarHBondContact O-CG2 3.32Å; P209-T234 HydrophobicContact CG-CG2 3.81Å; H230-T234 WeakPolarHBondContact O-CB 3.45Å; H230-T234 PolarHBondContact O-OG1 3.33Å; L231-T234 PolarHBondContact O-N 3.41Å; L231-T234 VanDerWaalsContact O-N 3.14Å
235I97Very high97.6Very high9 Ų932.1 Ų32.15%0.04616%0.163CC..  trans-120.8112.8179.8-52-179.8000108.8P209 L231 E240 L241 F244P209-I235 HydrophobicContact CB-CD1 4.32Å; P209-I235 HydrophobicContact CG-CD1 4.12Å; P209-I235 HydrophobicContact CG-CG1 4.39Å; L231-I235 HydrophobicContact CD2-CD1 4.01Å; L231-I235 HydrophobicContact CD2-CG1 4.34Å; L231-I235 PolarHBondContact O-N 3.06Å; I235-E240 HydrophobicContact CG2-CB 3.86Å; I235-L241 HydrophobicContact CG2-CB 3.87Å; I235-F244 HydrophobicContact CD1-CB 3.98Å; I235-F244 HydrophobicContact CD1-CD1 4.14Å; I235-F244 HydrophobicContact CD1-CG 3.97Å
236F95.4Very high97.6Very high105 Ų10537.6 Ų37.646%0.46119%0.192SC..  trans-107-28.7-176.9-59.7-83.1000113.1D232 R233 V269 P272D232-F236 WeakPolarHBondContact O-CE1 3.42Å; R233-F236 VanDerWaalsContact C-CZ 3.41Å; R233-F236 WeakPolarHBondContact O-CZ 3.4Å; F236-V269 HydrophobicContact CE1-CG1 4.41Å; F236-V269 HydrophobicContact CE2-CG1 4.18Å; F236-V269 HydrophobicContact CE2-CG2 3.97Å; F236-V269 HydrophobicContact CZ-CB 4.39Å; F236-V269 HydrophobicContact CZ-CG1 3.51Å; F236-V269 HydrophobicContact CZ-CG2 4.17Å; F236-P272 HydrophobicContact CE1-CG 4.08Å
237D96.4Very high97.6Very high89 Ų8940.3 Ų40.348%0.47621%0.206SC..  trans-72.5128176-176.5-93.4000109.8G239 E240 L241D237-G239 VanDerWaalsContact C-N 3.29Å; D237-G239 PolarHBondContact O-N 3.07Å; D237-G239 VanDerWaalsContact OD1-CA 3.25Å; D237-G239 WeakPolarHBondContact OD1-CA 3.37Å; D237-G239 PolarHBondContact OD1-N 3.5Å; D237-E240 HydrophobicContact CB-CB 4.1Å; D237-E240 HydrophobicContact CB-CG 3.98Å; D237-E240 PolarHBondContact OD1-N 2.83Å; D237-L241 VanDerWaalsContact O-CB 3.29Å; D237-L241 WeakPolarHBondContact O-CB 3.31Å; D237-L241 PolarHBondContact O-N 3.21Å
238E97.3Very high97.5Very high111 Ų11141.5 Ų41.552%0.51922%0.218SC..Hα-helixtrans-65.2-33.5-178.1-74.1-177.3173.900111.8L242 F283E238-L242 VanDerWaalsContact O-CG 3.24Å; E238-L242 WeakPolarHBondContact O-CG 3.43Å; E238-L242 PolarHBondContact O-N 3.06Å; E238-F283 HydrophobicContact CB-CE1 3.96Å; E238-F283 HydrophobicContact CB-CE2 4.29Å; E238-F283 HydrophobicContact CB-CZ 3.64Å; E238-F283 HydrophobicContact CG-CD1 4.34Å; E238-F283 HydrophobicContact CG-CE1 3.91Å; E238-F283 HydrophobicContact CG-CE2 4.23Å; E238-F283 HydrophobicContact CG-CZ 3.85Å
239G98.1Very high97.4Very high34 Ų3441.6 Ų41.635%0.35122%0.219SC..Hα-helixtrans-67.5-51.8177.100000111.7D237 L241 L242 E243D237-G239 VanDerWaalsContact C-N 3.29Å; D237-G239 PolarHBondContact O-N 3.07Å; D237-G239 VanDerWaalsContact OD1-CA 3.25Å; D237-G239 WeakPolarHBondContact OD1-CA 3.37Å; D237-G239 PolarHBondContact OD1-N 3.5Å; G239-L241 PolarHBondContact O-N 3.23Å; G239-L242 PolarHBondContact O-N 3.4Å; G239-L242 VanDerWaalsContact O-N 3.15Å; G239-E243 WeakPolarHBondContact O-CG 3.44Å; G239-E243 PolarHBondContact O-N 3.42Å
240E97.7Very high97.5Very high97 Ų9741.8 Ų41.845%0.45322%0.219SC..Hα-helixtrans-58.1-38.8175.3-65.8-178.717200111.7I235 D237 E243 F244I235-E240 HydrophobicContact CG2-CB 3.86Å; D237-E240 HydrophobicContact CB-CB 4.1Å; D237-E240 HydrophobicContact CB-CG 3.98Å; D237-E240 PolarHBondContact OD1-N 2.83Å; E240-E243 PolarHBondContact O-N 3.1Å; E240-F244 WeakPolarHBondContact O-CB 3.48Å; E240-F244 PolarHBondContact O-N 3.17Å
241L98.3Very high97.5Very high4 Ų441.6 Ų41.62%0.02122%0.218CC..Hα-helixtrans-63.8-43.6176.6179.361.3000112I235 D237 G239 F244 A245 Y253 T280 F283 L284I235-L241 HydrophobicContact CG2-CB 3.87Å; D237-L241 VanDerWaalsContact O-CB 3.29Å; D237-L241 WeakPolarHBondContact O-CB 3.31Å; D237-L241 PolarHBondContact O-N 3.21Å; G239-L241 PolarHBondContact O-N 3.23Å; L241-F244 PolarHBondContact O-N 3.22Å; L241-A245 VanDerWaalsContact O-CB 3.26Å; L241-A245 WeakPolarHBondContact O-CB 3.45Å; L241-A245 PolarHBondContact O-N 3.12Å; L241-Y253 WeakPolarHBondContact CD2-OH 3.42Å; L241-T280 HydrophobicContact CD2-CG2 3.97Å; L241-F283 HydrophobicContact CD2-CE1 4.34Å; L241-L284 HydrophobicContact CD2-CD1 4.42Å; L241-L284 HydrophobicContact CD2-CD2 3.9Å; L241-L284 HydrophobicContact CD2-CG 4.27Å; L241-L284 HydrophobicContact CG-CD2 4.05Å
242L98.4Very high97.5Very high44 Ų4441.6 Ų41.623%0.2322%0.218CC..Hα-helixtrans-68.8-37.5177.6-69.1176.3000112.2E238 G239 A245 N246 F283 E287 Y289E238-L242 VanDerWaalsContact O-CG 3.24Å; E238-L242 WeakPolarHBondContact O-CG 3.43Å; E238-L242 PolarHBondContact O-N 3.06Å; G239-L242 PolarHBondContact O-N 3.4Å; G239-L242 VanDerWaalsContact O-N 3.15Å; L242-A245 PolarHBondContact O-N 3.16Å; L242-N246 PolarHBondContact O-N 3.05Å; L242-F283 HydrophobicContact CD1-CE1 4.48Å; L242-F283 HydrophobicContact CD1-CZ 3.75Å; L242-F283 HydrophobicContact CD2-CE1 4.02Å; L242-F283 HydrophobicContact CD2-CZ 4.01Å; L242-F283 HydrophobicContact CG-CE1 4.1Å; L242-F283 HydrophobicContact CG-CZ 3.86Å; L242-E287 HydrophobicContact CD1-CG 4.37Å; L242-E287 HydrophobicContact CD2-CB 3.75Å; L242-E287 HydrophobicContact CD2-CG 3.9Å; L242-Y289 HydrophobicContact CD2-CD2 4.06Å; L242-Y289 HydrophobicContact CD2-CE2 3.54Å
243E97.9Very high97.7Very high148 Ų14841.5 Ų41.569%0.69222%0.218SC*.Hα-helixtrans-60.3-46.5173.1-73.5-177.4-179.200111.1G239 E240 N246G239-E243 WeakPolarHBondContact O-CG 3.44Å; G239-E243 PolarHBondContact O-N 3.42Å; E240-E243 PolarHBondContact O-N 3.1Å; E243-N246 PolarHBondContact O-N 3.39Å
244F98.5Very high97.8Very high2 Ų241.4 Ų41.41%0.00922%0.217CC..Hα-helixtrans-64.6-42.8175.5-180-104.1000112.3P209 V210 V213 M228 L231 I235 E240 L241 N246 M247 S249 L251P209-F244 HydrophobicContact CB-CD2 3.92Å; P209-F244 HydrophobicContact CB-CE1 4.36Å; P209-F244 HydrophobicContact CB-CE2 3.46Å; P209-F244 VanDerWaalsContact CB-CE2 3.46Å; P209-F244 HydrophobicContact CB-CZ 3.72Å; V210-F244 HydrophobicContact CG2-CD2 3.95Å; V213-F244 HydrophobicContact CG2-CE2 3.77Å; V213-F244 HydrophobicContact CG2-CZ 4.14Å; M228-F244 HydrophobicContact CB-CE1 3.85Å; M228-F244 HydrophobicContact CB-CZ 3.7Å; M228-F244 HydrophobicContact CE-CE2 4.36Å; M228-F244 HydrophobicContact CE-CZ 3.9Å; M228-F244 HydrophobicContact CG-CE1 3.92Å; M228-F244 HydrophobicContact CG-CZ 3.65Å; L231-F244 HydrophobicContact CD1-CD1 4.34Å; L231-F244 HydrophobicContact CD1-CE1 4.08Å; L231-F244 HydrophobicContact CD2-CD1 4.29Å; L231-F244 HydrophobicContact CD2-CE1 4.01Å; I235-F244 HydrophobicContact CD1-CB 3.98Å; I235-F244 HydrophobicContact CD1-CD1 4.14Å; I235-F244 HydrophobicContact CD1-CG 3.97Å; E240-F244 WeakPolarHBondContact O-CB 3.48Å; E240-F244 PolarHBondContact O-N 3.17Å; L241-F244 PolarHBondContact O-N 3.22Å; F244-N246 PolarHBondContact O-N 3.49Å; F244-M247 HydrophobicContact CD2-SD 3.85Å; F244-M247 HydrophobicContact CE2-SD 4.26Å; F244-M247 VanDerWaalsContact O-CB 3.22Å; F244-M247 WeakPolarHBondContact O-CB 3.44Å; F244-M247 WeakPolarHBondContact O-CG 3.39Å; F244-M247 PolarHBondContact O-N 3.23Å; F244-S249 WeakPolarHBondContact CE1-OG 3.33Å; F244-S249 WeakPolarHBondContact CZ-OG 3.36Å; F244-L251 HydrophobicContact CD1-CD2 3.69Å; F244-L251 HydrophobicContact CE1-CD2 3.73Å
245A98.1Very high97.9Very high3 Ų341.8 Ų41.83%0.02522%0.219CC..Hα-helixtrans-58.1-37.5178.300000112.7L241 L242 M247 G248 L251 Y289L241-A245 VanDerWaalsContact O-CB 3.26Å; L241-A245 WeakPolarHBondContact O-CB 3.45Å; L241-A245 PolarHBondContact O-N 3.12Å; L242-A245 PolarHBondContact O-N 3.16Å; A245-M247 PolarHBondContact O-N 3.28Å; A245-M247 VanDerWaalsContact O-N 3.17Å; A245-G248 PolarHBondContact O-N 2.96Å; A245-L251 HydrophobicContact CB-CD1 3.68Å; A245-L251 HydrophobicContact CB-CD2 4.25Å; A245-L251 HydrophobicContact CB-CG 4.47Å; A245-Y289 HydrophobicContact CB-CD1 3.75Å; A245-Y289 HydrophobicContact CB-CD2 4.34Å; A245-Y289 HydrophobicContact CB-CE1 3.43Å; A245-Y289 VanDerWaalsContact CB-CE1 3.43Å; A245-Y289 HydrophobicContact CB-CE2 4.07Å; A245-Y289 HydrophobicContact CB-CG 4.19Å
246N97.6Very high98Very high129 Ų12941.3 Ų41.369%0.6922%0.217SC*.THydrogen-bonded Turntrans-65.8-14.8177.3-16849.4000113.4L242 E243 F244 G248L242-N246 PolarHBondContact O-N 3.05Å; E243-N246 PolarHBondContact O-N 3.39Å; F244-N246 PolarHBondContact O-N 3.49Å; N246-G248 PolarHBondContact O-N 2.91Å
247M97.6Very high98Very high58 Ų5837.5 Ų37.529%0.28621%0.207SC..THydrogen-bonded Turntrans-71.5-13172.6-54.6-176.481.100112.9V210 V213 I223 F244 A245V210-M247 HydrophobicContact CG1-CE 4.33Å; V210-M247 HydrophobicContact CG1-SD 4.36Å; V210-M247 HydrophobicContact CG2-SD 4.22Å; V213-M247 HydrophobicContact CB-CE 3.93Å; V213-M247 HydrophobicContact CB-SD 4.45Å; V213-M247 HydrophobicContact CG1-CB 4.4Å; V213-M247 HydrophobicContact CG1-CE 3.4Å; V213-M247 HydrophobicContact CG1-SD 4.22Å; I223-M247 WeakPolarHBondContact CG2-O 3.42Å; F244-M247 HydrophobicContact CD2-SD 3.85Å; F244-M247 HydrophobicContact CE2-SD 4.26Å; F244-M247 VanDerWaalsContact O-CB 3.22Å; F244-M247 WeakPolarHBondContact O-CB 3.44Å; F244-M247 WeakPolarHBondContact O-CG 3.39Å; F244-M247 PolarHBondContact O-N 3.23Å; A245-M247 PolarHBondContact O-N 3.28Å; A245-M247 VanDerWaalsContact O-N 3.17Å
248G96.9Very high97.9Very high25 Ų2534 Ų3426%0.25819%0.189SC..  trans93.55165.700000116.6A245 N246 K292A245-G248 PolarHBondContact O-N 2.96Å; N246-G248 PolarHBondContact O-N 2.91Å; G248-K292 PolarHBondContact O-NZ 2.78Å
249S98.3Very high97.6Very high1 Ų133 Ų331%0.00718%0.184CC..  trans-69.8163.8171.872.30000111.3I223 T226 F244I223-S249 WeakPolarHBondContact O-CA 3.37Å; T226-S249 WeakPolarHBondContact O-CB 3.49Å; F244-S249 WeakPolarHBondContact CE1-OG 3.33Å; F244-S249 WeakPolarHBondContact CZ-OG 3.36Å
250Y98.9Very high97.1Very high4 Ų432.2 Ų32.22%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-76.5138162.7-73.1-92.9000109.5S224 T226 V227 M228 D291 K292 L294 N341 R344 W345S224-Y250 WeakPolarHBondContact O-CE2 3.49Å; T226-Y250 PolarHBondContact O-N 3.39Å; V227-Y250 HydrophobicContact CG2-CD2 4.42Å; V227-Y250 HydrophobicContact CG2-CG 4.32Å; M228-Y250 PolarHBondContact N-O 3.26Å; Y250-D291 WeakPolarHBondContact CE1-O 3.5Å; Y250-K292 CarbonylContact C-O 3.51Å; Y250-K292 VanDerWaalsContact CA-O 3.24Å; Y250-K292 WeakPolarHBondContact CA-O 3.45Å; Y250-K292 HydrophobicContact CD1-CD 4.13Å; Y250-K292 HydrophobicContact CE1-CD 4.17Å; Y250-K292 HydrophobicContact CG-CD 4.3Å; Y250-L294 HydrophobicContact CD1-CD1 3.99Å; Y250-L294 HydrophobicContact CD1-CD2 4.2Å; Y250-L294 HydrophobicContact CD1-CG 3.87Å; Y250-L294 HydrophobicContact CG-CD1 4.02Å; Y250-L294 HydrophobicContact CG-CG 4.33Å; Y250-N341 HydrophobicContact CE1-CB 4.03Å; Y250-R344 WeakPolarHBondContact OH-CD 3.44Å; Y250-W345 HydrophobicContact CD2-CB 4.39Å; Y250-W345 HydrophobicContact CD2-CG 4.39Å; Y250-W345 HydrophobicContact CE1-CB 4.39Å; Y250-W345 HydrophobicContact CE2-CB 3.85Å; Y250-W345 HydrophobicContact CE2-CG 4.23Å
251L98.9Very high96.6Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-97107.6178.7-52.9175.9000108.3L231 F244 A245 L284 K292 V293 L294L231-L251 HydrophobicContact CD1-CB 3.65Å; L231-L251 HydrophobicContact CD1-CD2 3.48Å; L231-L251 VanDerWaalsContact CD1-CD2 3.48Å; L231-L251 HydrophobicContact CD1-CG 4.16Å; F244-L251 HydrophobicContact CD1-CD2 3.69Å; F244-L251 HydrophobicContact CE1-CD2 3.73Å; A245-L251 HydrophobicContact CB-CD1 3.68Å; A245-L251 HydrophobicContact CB-CD2 4.25Å; A245-L251 HydrophobicContact CB-CG 4.47Å; L251-L284 HydrophobicContact CD1-CD1 3.9Å; L251-L284 HydrophobicContact CD1-CD2 3.73Å; L251-L284 HydrophobicContact CD1-CG 4.42Å; L251-K292 PolarHBondContact N-O 2.94Å; L251-V293 WeakPolarHBondContact O-CA 3.49Å; L251-L294 PolarHBondContact O-N 3.35Å
252E98.9Very high96Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-101.8129-178.3-179.1173.8-111.800112T25 H26 I199 V227 M228 S229 L231 D254 L294T25-E252 WeakPolarHBondContact CB-OE1 3.36Å; T25-E252 PolarHBondContact OG1-OE1 3.28Å; H26-E252 WeakPolarHBondContact CB-OE1 3.22Å; H26-E252 IonicContact CG-OE2 3.5Å; H26-E252 IonicContact ND1-OE2 3.82Å; H26-E252 PolarHBondContact ND1-OE2 3.1Å; I199-E252 VanDerWaalsContact CD1-OE2 3.27Å; I199-E252 WeakPolarHBondContact CD1-OE2 3.48Å; V227-E252 HydrophobicContact CG1-CB 3.47Å; V227-E252 VanDerWaalsContact CG1-CB 3.47Å; V227-E252 HydrophobicContact CG1-CG 4.21Å; M228-E252 WeakPolarHBondContact O-CB 3.41Å; M228-E252 PolarHBondContact O-N 3.42Å; M228-E252 VanDerWaalsContact O-N 3.07Å; S229-E252 WeakPolarHBondContact CB-OE2 3.41Å; S229-E252 PolarHBondContact OG-OE2 3.19Å; L231-E252 PolarHBondContact N-O 3.29Å; E252-D254 HydrophobicContact CG-CB 3.76Å; E252-D254 WeakPolarHBondContact CG-OD2 3.36Å; E252-D254 VanDerWaalsContact OE2-OD2 3.08Å; E252-L294 WeakPolarHBondContact CA-O 3.33Å; E252-L294 HydrophobicContact CB-CB 4.18Å; E252-L294 HydrophobicContact CG-CB 4.25Å
253Y98.8Very high95.6Very high4 Ų436 Ų362%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-109.984.6171.8-75.4-100.8000108.3L231 D232 L241 F256 T280 L281 L284 L294 V295 A296L231-Y253 HydrophobicContact CB-CE2 4.35Å; D232-Y253 HydrophobicContact CB-CD1 4.06Å; D232-Y253 HydrophobicContact CB-CE1 4.46Å; D232-Y253 VanDerWaalsContact OD1-CA 3.27Å; D232-Y253 WeakPolarHBondContact OD1-CA 3.39Å; D232-Y253 VanDerWaalsContact OD1-CB 3.27Å; D232-Y253 WeakPolarHBondContact OD1-CB 3.39Å; D232-Y253 WeakPolarHBondContact OD1-CD1 3.43Å; D232-Y253 VanDerWaalsContact OD2-CA 3.32Å; D232-Y253 WeakPolarHBondContact OD2-CA 3.47Å; L241-Y253 WeakPolarHBondContact CD2-OH 3.42Å; Y253-F256 WeakPolarHBondContact O-CD2 3.29Å; Y253-T280 HydrophobicContact CE1-CG2 3.66Å; Y253-T280 WeakPolarHBondContact OH-CG2 3.47Å; Y253-L281 HydrophobicContact CD1-CD2 4.35Å; Y253-L281 HydrophobicContact CD2-CD2 3.52Å; Y253-L281 HydrophobicContact CE2-CD2 4.08Å; Y253-L281 HydrophobicContact CG-CD2 3.69Å; Y253-L284 HydrophobicContact CD2-CD1 4.46Å; Y253-L284 HydrophobicContact CE2-CD1 3.53Å; Y253-L294 PolarHBondContact N-O 3.47Å; Y253-V295 VanDerWaalsContact O-CA 3.28Å; Y253-V295 WeakPolarHBondContact O-CA 3.39Å; Y253-A296 PolarHBondContact O-N 3.44Å; Y253-A296 VanDerWaalsContact O-N 3.16Å
254D98.7Very high95Very high0 Ų031.3 Ų31.30%018%0.176CC..  trans-101.35-169.148.940.8000113.4H26 S229 H230 D232 E252 A296 H297 D298H26-D254 HydrophobicContact CB-CB 3.83Å; H26-D254 IonicContact ND1-OD2 3.86Å; H26-D254 PolarHBondContact ND1-OD2 2.81Å; S229-D254 VanDerWaalsContact CA-OD2 3.25Å; S229-D254 WeakPolarHBondContact CA-OD2 3.49Å; S229-D254 WeakPolarHBondContact CB-OD2 3.43Å; H230-D254 WeakPolarHBondContact CA-OD1 3.16Å; H230-D254 IonicContact CE1-OD1 3.75Å; H230-D254 IonicContact CE1-OD2 4Å; H230-D254 IonicContact CG-OD1 2.67Å; H230-D254 PolarHBondContact N-OD1 3.41Å; H230-D254 PolarHBondContact N-OD2 3.43Å; H230-D254 VanDerWaalsContact ND1-CG 3.32Å; H230-D254 IonicContact ND1-OD1 2.8Å; H230-D254 PolarHBondContact ND1-OD1 3.21Å; H230-D254 IonicContact ND1-OD2 2.91Å; H230-D254 PolarHBondContact ND1-OD2 2.95Å; D232-D254 PolarHBondContact OD2-N 3.21Å; E252-D254 HydrophobicContact CG-CB 3.76Å; E252-D254 WeakPolarHBondContact CG-OD2 3.36Å; E252-D254 VanDerWaalsContact OE2-OD2 3.08Å; D254-A296 CarbonylContact C-O 3.59Å; D254-A296 WeakPolarHBondContact CA-O 3.49Å; D254-A296 HydrophobicContact CB-CB 3.9Å; D254-A296 CarbonylContact O-C 3.42Å; D254-A296 VanDerWaalsContact O-C 3.32Å; D254-A296 VanDerWaalsContact O-O 3.08Å; D254-H297 CarbonylContact O-C 3.6Å; D254-H297 WeakPolarHBondContact O-CA 3.32Å; D254-H297 PolarHBondContact O-N 3.17Å; D254-D298 HydrophobicContact CB-CB 4.37Å; D254-D298 WeakPolarHBondContact O-CB 3.2Å; D254-D298 PolarHBondContact O-N 3.29Å; D254-D298 VanDerWaalsContact O-N 3.08Å
255L98.1Very high94.6Very high10 Ų1034 Ų345%0.05219%0.188CC..  trans-10326.2-176.6-60.6-174.2000114.1D232 R233 G257 T258 M271 R277 D298D232-L255 HydrophobicContact CB-CB 4.32Å; D232-L255 HydrophobicContact CB-CD1 4.47Å; R233-L255 HydrophobicContact CB-CD1 4.03Å; R233-L255 HydrophobicContact CG-CD1 3.84Å; L255-G257 PolarHBondContact O-N 3.05Å; L255-T258 VanDerWaalsContact O-CB 3.29Å; L255-T258 WeakPolarHBondContact O-CB 3.19Å; L255-T258 PolarHBondContact O-N 2.95Å; L255-M271 HydrophobicContact CB-CE 4.42Å; L255-M271 HydrophobicContact CD1-CE 3.7Å; L255-R277 PolarHBondContact O-NE 2.97Å; L255-R277 PolarHBondContact O-NH1 3.39Å; L255-R277 PolarHBondContact O-NH2 2.88Å; L255-D298 HydrophobicContact CD2-CB 3.94Å; L255-D298 WeakPolarHBondContact CD2-OD2 3.42Å
256F98.6Very high94.2Very high0 Ų035.8 Ų35.80%020%0.197CC..THydrogen-bonded Turntrans-60133.8176.2-81.2-78.4000112.2Y253 T258 D274 R277 V278 L281 V295 A296 R304 H311 I316 I320Y253-F256 WeakPolarHBondContact O-CD2 3.29Å; F256-T258 VanDerWaalsContact C-N 3.28Å; F256-D274 WeakPolarHBondContact CA-OD1 3.38Å; F256-D274 HydrophobicContact CD1-CB 4.17Å; F256-D274 WeakPolarHBondContact CD1-OD1 3.34Å; F256-D274 HydrophobicContact CE1-CB 4.49Å; F256-R277 HydrophobicContact CD1-CB 4.3Å; F256-R277 HydrophobicContact CE1-CB 3.54Å; F256-R277 HydrophobicContact CE1-CG 4.41Å; F256-R277 HydrophobicContact CE2-CB 4.37Å; F256-R277 HydrophobicContact CZ-CB 3.58Å; F256-V278 HydrophobicContact CE1-CG2 4.06Å; F256-V278 HydrophobicContact CZ-CG2 4.44Å; F256-L281 HydrophobicContact CE2-CD1 4.1Å; F256-L281 HydrophobicContact CZ-CD1 3.78Å; F256-V295 HydrophobicContact CD2-CB 4.28Å; F256-V295 HydrophobicContact CE2-CB 4Å; F256-V295 HydrophobicContact CE2-CG1 3.81Å; F256-A296 PolarHBondContact N-O 2.72Å; F256-R304 PolarHBondContact O-NH2 2.68Å; F256-R304 VanDerWaalsContact O-NH2 3.1Å; F256-H311 PolarHBondContact O-NE2 2.9Å; F256-I316 HydrophobicContact CB-CD1 4.09Å; F256-I316 HydrophobicContact CB-CG1 3.94Å; F256-I316 HydrophobicContact CD2-CD1 3.96Å; F256-I316 HydrophobicContact CD2-CG1 4.2Å; F256-I316 HydrophobicContact CG-CD1 4.25Å; F256-I316 HydrophobicContact CG-CG1 4.08Å; F256-I320 HydrophobicContact CD1-CB 4.39Å; F256-I320 HydrophobicContact CD1-CD1 3.53Å; F256-I320 HydrophobicContact CD1-CG1 3.6Å; F256-I320 HydrophobicContact CD1-CG2 3.91Å; F256-I320 HydrophobicContact CE1-CB 4.41Å; F256-I320 HydrophobicContact CE1-CD1 3.91Å; F256-I320 HydrophobicContact CE1-CG1 4.05Å; F256-I320 HydrophobicContact CE1-CG2 3.48Å; F256-I320 VanDerWaalsContact CE1-CG2 3.48Å; F256-I320 HydrophobicContact CG-CG1 4.19Å; F256-I320 HydrophobicContact CZ-CG2 3.85Å
257G96.6Very high93.9Very high24 Ų2436 Ų3625%0.24720%0.197CC..THydrogen-bonded Turntrans80.7-1.3-173.200000114.8L255 D274L255-G257 PolarHBondContact O-N 3.05Å; G257-D274 WeakPolarHBondContact CA-OD2 3.22Å; G257-D274 PolarHBondContact N-OD1 3.22Å; G257-D274 PolarHBondContact N-OD2 3.41Å
258T94.5Very high93.5Very high16 Ų1642.4 Ų42.410%0.09822%0.224CC..  trans-9598.6175.5-58.20000110.5L255 F256 M260 M271 R277 R304L255-T258 VanDerWaalsContact O-CB 3.29Å; L255-T258 WeakPolarHBondContact O-CB 3.19Å; L255-T258 PolarHBondContact O-N 2.95Å; F256-T258 VanDerWaalsContact C-N 3.28Å; T258-M260 HydrophobicContact CG2-CE 3.67Å; T258-M271 HydrophobicContact CG2-CE 4.07Å; T258-R277 PolarHBondContact O-NH1 3.34Å; T258-R277 PolarHBondContact O-NH2 2.95Å; T258-R304 PolarHBondContact OG1-NH2 2.83Å
259E89.9Confident93.2Very high89 Ų8941.8 Ų41.842%0.41622%0.215SC..  trans-125.6108.1176.1-56.3-170.1171.500109.6S273 D274E259-S273 WeakPolarHBondContact OE1-CA 3.36Å; E259-S273 VanDerWaalsContact OE1-CB 3.24Å; E259-S273 WeakPolarHBondContact OE1-CB 3.37Å; E259-D274 PolarHBondContact OE1-N 2.97Å
260M88.5Confident92.8Very high18 Ų1848 Ų489%0.08925%0.248CC..  trans-137.1144177.462.1-175.368.100110P64 T258 Y263 M271P64-M260 HydrophobicContact CG-CE 4.02Å; T258-M260 HydrophobicContact CG2-CE 3.67Å; M260-Y263 HydrophobicContact SD-CD2 3.88Å; M260-M271 HydrophobicContact CG-CB 4.39Å; M260-M271 HydrophobicContact CG-CG 3.89Å
261L86.3Confident92.5Very high128 Ų12848.8 Ų48.867%0.6725%0.252SS*.SBendtrans-70.8-46.1-179.9179.464.4000110.9
262N86.6Confident92.3Very high83 Ų8349.5 Ų49.544%0.44426%0.257SS..SBendtrans-112.1101.1-178.1-66.4-44.6000109.1P264 L267N262-P264 VanDerWaalsContact O-CD 3.23Å; N262-P264 WeakPolarHBondContact O-CD 3.11Å; N262-L267 HydrophobicContact CB-CD2 4.09Å
263Y89.8Confident92.2Very high15 Ų1551 Ų516%0.05927%0.267CS..  trans-71.9111.2171.6-179-128.3000109.7R204 R233 M260 F265 N266 L267 V269 M271R204-Y263 HydrophobicContact CG-CE1 4.37Å; R204-Y263 PolarHBondContact NE-OH 3.23Å; R233-Y263 WeakPolarHBondContact CD-OH 3.46Å; R233-Y263 PolarHBondContact NE-OH 2.95Å; M260-Y263 HydrophobicContact SD-CD2 3.88Å; Y263-F265 HydrophobicContact CD1-CB 4.46Å; Y263-F265 HydrophobicContact CD2-CD2 4.39Å; Y263-F265 HydrophobicContact CE1-CB 3.83Å; Y263-F265 HydrophobicContact CE1-CD2 4.46Å; Y263-F265 HydrophobicContact CE2-CB 4.37Å; Y263-F265 AromaticContact CE2-CD2 3.55Å; Y263-F265 HydrophobicContact CE2-CD2 3.55Å; Y263-F265 HydrophobicContact CE2-CE2 4.35Å; Y263-F265 HydrophobicContact CE2-CG 4.42Å; Y263-F265 AromaticContact CZ-CD2 3.59Å; Y263-F265 PolarHBondContact O-N 3.49Å; Y263-F265 VanDerWaalsContact O-N 3.11Å; Y263-F265 WeakPolarHBondContact OH-CD2 3.27Å; Y263-N266 HydrophobicContact CD1-CB 3.82Å; Y263-N266 HydrophobicContact CE1-CB 4.07Å; Y263-N266 CarbonylContact O-C 3.58Å; Y263-N266 PolarHBondContact O-N 3.49Å; Y263-L267 PolarHBondContact O-N 2.92Å; Y263-V269 HydrophobicContact CD1-CB 4.42Å; Y263-M271 HydrophobicContact CD2-CG 4.4Å; Y263-M271 HydrophobicContact CD2-SD 4.21Å; Y263-M271 HydrophobicContact CG-CG 4.25Å; Y263-M271 HydrophobicContact CG-SD 4.17Å
264P86.3Confident92.1Very high49 Ų4951.7 Ų51.732%0.31827%0.271SS..THydrogen-bonded Turntrans-68.8-19-166.422.3-28.4000113.3Y65 N262Y65-P264 HydrophobicContact CD2-CG 3.49Å; Y65-P264 VanDerWaalsContact CD2-CG 3.49Å; Y65-P264 HydrophobicContact CE2-CG 3.81Å; N262-P264 VanDerWaalsContact O-CD 3.23Å; N262-P264 WeakPolarHBondContact O-CD 3.11Å
265F88.9Confident92.1Very high58 Ų5854 Ų5425%0.25429%0.287SS..THydrogen-bonded Turntrans-91.8-11.6177.9-49.7-62.1000113.8Y65 Y263Y65-F265 HydrophobicContact CD1-CE2 4.42Å; Y65-F265 AromaticContact CD1-CZ 3.93Å; Y65-F265 HydrophobicContact CD1-CZ 3.93Å; Y65-F265 AromaticContact CD2-CE2 3.85Å; Y65-F265 HydrophobicContact CD2-CE2 3.85Å; Y65-F265 AromaticContact CD2-CZ 3.7Å; Y65-F265 HydrophobicContact CD2-CZ 3.7Å; Y65-F265 HydrophobicContact CE1-CE2 4.03Å; Y65-F265 AromaticContact CE1-CZ 3.96Å; Y65-F265 HydrophobicContact CE1-CZ 3.96Å; Y65-F265 HydrophobicContact CE2-CD2 4.32Å; Y65-F265 AromaticContact CE2-CE2 3.34Å; Y65-F265 HydrophobicContact CE2-CE2 3.34Å; Y65-F265 AromaticContact CE2-CZ 3.69Å; Y65-F265 HydrophobicContact CE2-CZ 3.69Å; Y65-F265 HydrophobicContact CG-CE2 4.35Å; Y65-F265 AromaticContact CG-CZ 3.82Å; Y65-F265 HydrophobicContact CG-CZ 3.82Å; Y65-F265 AromaticContact CZ-CE2 3.47Å; Y65-F265 VanDerWaalsContact CZ-CE2 3.47Å; Y65-F265 AromaticContact CZ-CZ 3.84Å; Y263-F265 HydrophobicContact CD1-CB 4.46Å; Y263-F265 HydrophobicContact CD2-CD2 4.39Å; Y263-F265 HydrophobicContact CE1-CB 3.83Å; Y263-F265 HydrophobicContact CE1-CD2 4.46Å; Y263-F265 HydrophobicContact CE2-CB 4.37Å; Y263-F265 AromaticContact CE2-CD2 3.55Å; Y263-F265 HydrophobicContact CE2-CD2 3.55Å; Y263-F265 HydrophobicContact CE2-CE2 4.35Å; Y263-F265 HydrophobicContact CE2-CG 4.42Å; Y263-F265 AromaticContact CZ-CD2 3.59Å; Y263-F265 PolarHBondContact O-N 3.49Å; Y263-F265 VanDerWaalsContact O-N 3.11Å; Y263-F265 WeakPolarHBondContact OH-CD2 3.27Å
266N90.7Very high92.1Very high41 Ų4157.9 Ų57.922%0.21931%0.305CS..  trans-160.594171.4-171.9-7.4000110.5R204 Y263 K268 V269R204-N266 PolarHBondContact O-ND2 2.92Å; Y263-N266 HydrophobicContact CD1-CB 3.82Å; Y263-N266 HydrophobicContact CE1-CB 4.07Å; Y263-N266 CarbonylContact O-C 3.58Å; Y263-N266 PolarHBondContact O-N 3.49Å; N266-K268 PolarHBondContact O-N 2.99Å; N266-K268 WeakPolarHBondContact OD1-CB 3.38Å; N266-K268 PolarHBondContact OD1-N 2.95Å; N266-V269 HydrophobicContact CB-CB 4.43Å; N266-V269 HydrophobicContact CB-CG2 4.13Å; N266-V269 WeakPolarHBondContact ND2-CG2 3.24Å; N266-V269 PolarHBondContact O-N 3.2Å
267L90.1Very high92.1Very high132 Ų13257.9 Ų57.969%0.69131%0.305SS*.THydrogen-bonded Turntrans-65.1-10.3-178-65.8176.2000114.6N262 Y263 V269N262-L267 HydrophobicContact CB-CD2 4.09Å; Y263-L267 PolarHBondContact O-N 2.92Å; L267-V269 VanDerWaalsContact C-N 3.31Å
268K90.1Very high92.2Very high194 Ų19456.8 Ų56.884%0.84329%0.293SS*.THydrogen-bonded Turntrans-84.5-9.9175.8-60.9-179.3-179.7177.80112.7N266N266-K268 PolarHBondContact O-N 2.99Å; N266-K268 WeakPolarHBondContact OD1-CB 3.38Å; N266-K268 PolarHBondContact OD1-N 2.95Å
269V89.5Confident92.3Very high11 Ų1164.3 Ų64.37%0.06732%0.32CS..  trans-94.8120.7-177.7165.10000109.7R233 F236 Y263 N266 L267 M271R233-V269 HydrophobicContact CB-CG1 4.5Å; F236-V269 HydrophobicContact CE1-CG1 4.41Å; F236-V269 HydrophobicContact CE2-CG1 4.18Å; F236-V269 HydrophobicContact CE2-CG2 3.97Å; F236-V269 HydrophobicContact CZ-CB 4.39Å; F236-V269 HydrophobicContact CZ-CG1 3.51Å; F236-V269 HydrophobicContact CZ-CG2 4.17Å; Y263-V269 HydrophobicContact CD1-CB 4.42Å; N266-V269 HydrophobicContact CB-CB 4.43Å; N266-V269 HydrophobicContact CB-CG2 4.13Å; N266-V269 WeakPolarHBondContact ND2-CG2 3.24Å; N266-V269 PolarHBondContact O-N 3.2Å; L267-V269 VanDerWaalsContact C-N 3.31Å; V269-M271 HydrophobicContact CG1-SD 4.16Å; V269-M271 PolarHBondContact O-N 3.38Å
270D89.4Confident92.7Very high133 Ų13362.2 Ų62.271%0.71131%0.313SS*.  trans-80.1108.9164.7-66.2-39.5000108.5P272D270-P272 WeakPolarHBondContact O-CD 3.45Å
271M93Very high93.2Very high19 Ų1961.3 Ų61.39%0.09431%0.309CS..PPolyproline II helixtrans-62.9124.5178.9-78.3-60.8-6000110.4R233 L255 T258 M260 Y263 V269 R277R233-M271 HydrophobicContact CB-CE 4.39Å; R233-M271 HydrophobicContact CB-SD 3.84Å; L255-M271 HydrophobicContact CB-CE 4.42Å; L255-M271 HydrophobicContact CD1-CE 3.7Å; T258-M271 HydrophobicContact CG2-CE 4.07Å; M260-M271 HydrophobicContact CG-CB 4.39Å; M260-M271 HydrophobicContact CG-CG 3.89Å; Y263-M271 HydrophobicContact CD2-CG 4.4Å; Y263-M271 HydrophobicContact CD2-SD 4.21Å; Y263-M271 HydrophobicContact CG-CG 4.25Å; Y263-M271 HydrophobicContact CG-SD 4.17Å; V269-M271 HydrophobicContact CG1-SD 4.16Å; V269-M271 PolarHBondContact O-N 3.38Å; M271-R277 VanDerWaalsContact CE-NH2 3.33Å
272P95.1Very high93.8Very high16 Ų1656.6 Ų56.610%0.10429%0.288CS..PPolyproline II helixtrans-61.9146.4177.9-23.734.2000111.4D232 F236 D270 Q276 R277D232-P272 WeakPolarHBondContact O-CD 3.21Å; D232-P272 WeakPolarHBondContact O-CG 3.01Å; F236-P272 HydrophobicContact CE1-CG 4.08Å; D270-P272 WeakPolarHBondContact O-CD 3.45Å; P272-Q276 HydrophobicContact CB-CB 3.92Å; P272-R277 HydrophobicContact CB-CG 4.26Å; P272-R277 PolarHBondContact O-NH1 2.79Å; P272-R277 PolarHBondContact O-NH2 3.34Å
273S96.6Very high94.4Very high30 Ų3054 Ų5421%0.2127%0.273CS..PPolyproline II helixtrans-71162.9161.461.90000111.3E259 S275 Q276 R277E259-S273 WeakPolarHBondContact OE1-CA 3.36Å; E259-S273 VanDerWaalsContact OE1-CB 3.24Å; E259-S273 WeakPolarHBondContact OE1-CB 3.37Å; S273-S275 PolarHBondContact O-N 2.61Å; S273-Q276 WeakPolarHBondContact O-CA 3.47Å; S273-Q276 WeakPolarHBondContact O-CB 3.44Å; S273-Q276 PolarHBondContact O-N 3.03Å; S273-Q276 PolarHBondContact OG-N 3.31Å; S273-Q276 PolarHBondContact OG-OE1 2.7Å; S273-R277 PolarHBondContact O-N 3.28Å
274D97.9Very high94.8Very high19 Ų1953.3 Ų53.310%0.10227%0.27CS..Hα-helixtrans-60.4-32.1173.6-72.5-20.7000112.3F256 G257 E259 Q276 R277 V278 H315 I320F256-D274 WeakPolarHBondContact CA-OD1 3.38Å; F256-D274 HydrophobicContact CD1-CB 4.17Å; F256-D274 WeakPolarHBondContact CD1-OD1 3.34Å; F256-D274 HydrophobicContact CE1-CB 4.49Å; G257-D274 WeakPolarHBondContact CA-OD2 3.22Å; G257-D274 PolarHBondContact N-OD1 3.22Å; G257-D274 PolarHBondContact N-OD2 3.41Å; E259-D274 PolarHBondContact OE1-N 2.97Å; D274-Q276 VanDerWaalsContact C-N 3.32Å; D274-Q276 PolarHBondContact O-N 3.1Å; D274-R277 PolarHBondContact O-N 2.91Å; D274-R277 IonicContact OD1-NH1 2.73Å; D274-R277 PolarHBondContact OD1-NH1 2.82Å; D274-V278 WeakPolarHBondContact O-CG2 3Å; D274-V278 PolarHBondContact O-N 2.8Å; D274-H315 IonicContact OD2-CE1 2.74Å; D274-H315 IonicContact OD2-NE2 3.5Å; D274-H315 PolarHBondContact OD2-NE2 2.97Å; D274-H315 VanDerWaalsContact OD2-NE2 3.1Å; D274-I320 HydrophobicContact CB-CD1 3.7Å
275S97.7Very high95.3Very high49 Ų4951.6 Ų51.634%0.34326%0.259SS..Hα-helixtrans-68.9-30.1174.4-73.80000113.1S273 R279 K323S273-S275 PolarHBondContact O-N 2.61Å; S275-R279 PolarHBondContact O-N 3.35Å; S275-K323 WeakPolarHBondContact OG-CE 3.27Å; S275-K323 PolarHBondContact OG-NZ 2.94Å
276Q97.6Very high95.8Very high91 Ų9156.8 Ų56.843%0.42528%0.281SS..Hα-helixtrans-74.1-43.9172.1-76.9159.8-61.800110.5P272 S273 D274 V278 R279 T280P272-Q276 HydrophobicContact CB-CB 3.92Å; S273-Q276 WeakPolarHBondContact O-CA 3.47Å; S273-Q276 WeakPolarHBondContact O-CB 3.44Å; S273-Q276 PolarHBondContact O-N 3.03Å; S273-Q276 PolarHBondContact OG-N 3.31Å; S273-Q276 PolarHBondContact OG-OE1 2.7Å; D274-Q276 VanDerWaalsContact C-N 3.32Å; D274-Q276 PolarHBondContact O-N 3.1Å; Q276-V278 PolarHBondContact O-N 3Å; Q276-R279 WeakPolarHBondContact O-CA 3.49Å; Q276-R279 VanDerWaalsContact O-CB 3.27Å; Q276-R279 WeakPolarHBondContact O-CB 3.03Å; Q276-R279 PolarHBondContact O-N 3.39Å; Q276-T280 PolarHBondContact O-N 2.84Å; Q276-T280 PolarHBondContact O-OG1 3.2Å
277R98.3Very high96.1Very high1 Ų158.9 Ų58.90%0.00429%0.29CS..Hα-helixtrans-54.6-49.7173.3-69.1-176.9178.180.214.1112D232 L255 F256 T258 M271 P272 S273 D274 R279 T280 L281D232-R277 WeakPolarHBondContact OD1-CD 3.37Å; D232-R277 IonicContact OD1-NE 3.4Å; D232-R277 PolarHBondContact OD1-NE 3.31Å; L255-R277 PolarHBondContact O-NE 2.97Å; L255-R277 PolarHBondContact O-NH1 3.39Å; L255-R277 PolarHBondContact O-NH2 2.88Å; F256-R277 HydrophobicContact CD1-CB 4.3Å; F256-R277 HydrophobicContact CE1-CB 3.54Å; F256-R277 HydrophobicContact CE1-CG 4.41Å; F256-R277 HydrophobicContact CE2-CB 4.37Å; F256-R277 HydrophobicContact CZ-CB 3.58Å; T258-R277 PolarHBondContact O-NH1 3.34Å; T258-R277 PolarHBondContact O-NH2 2.95Å; M271-R277 VanDerWaalsContact CE-NH2 3.33Å; P272-R277 HydrophobicContact CB-CG 4.26Å; P272-R277 PolarHBondContact O-NH1 2.79Å; P272-R277 PolarHBondContact O-NH2 3.34Å; S273-R277 PolarHBondContact O-N 3.28Å; D274-R277 PolarHBondContact O-N 2.91Å; D274-R277 IonicContact OD1-NH1 2.73Å; D274-R277 PolarHBondContact OD1-NH1 2.82Å; R277-R279 PolarHBondContact O-N 3.35Å; R277-T280 WeakPolarHBondContact O-CB 3.31Å; R277-T280 PolarHBondContact O-N 3.3Å; R277-L281 WeakPolarHBondContact O-CG 3.38Å; R277-L281 PolarHBondContact O-N 3.44Å
278V98.7Very high96.5Very high0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-58.6-35176.4172.40000112.2F256 D274 Q276 L281 A282 I320 K323 M324 R327 I329F256-V278 HydrophobicContact CE1-CG2 4.06Å; F256-V278 HydrophobicContact CZ-CG2 4.44Å; D274-V278 WeakPolarHBondContact O-CG2 3Å; D274-V278 PolarHBondContact O-N 2.8Å; Q276-V278 PolarHBondContact O-N 3Å; V278-L281 PolarHBondContact O-N 2.73Å; V278-A282 WeakPolarHBondContact O-CB 3.22Å; V278-A282 PolarHBondContact O-N 3.15Å; V278-I320 HydrophobicContact CG2-CG2 3.84Å; V278-K323 HydrophobicContact CB-CG 4.45Å; V278-K323 HydrophobicContact CG1-CG 4.3Å; V278-K323 HydrophobicContact CG2-CB 4.49Å; V278-K323 HydrophobicContact CG2-CG 4.08Å; V278-M324 HydrophobicContact CG1-CG 4.2Å; V278-M324 HydrophobicContact CG2-CG 4.15Å; V278-R327 HydrophobicContact CG1-CB 3.97Å; V278-R327 HydrophobicContact CG1-CG 3.96Å; V278-I329 HydrophobicContact CG1-CD1 4.28Å
279R98.3Very high96.9Very high175 Ų17548.4 Ų48.466%0.6625%0.254SS*.Hα-helixtrans-66-44.3175.2-172.4-171-53.4-176.43.7111.1S275 Q276 R277 L281 A282 F283S275-R279 PolarHBondContact O-N 3.35Å; Q276-R279 WeakPolarHBondContact O-CA 3.49Å; Q276-R279 VanDerWaalsContact O-CB 3.27Å; Q276-R279 WeakPolarHBondContact O-CB 3.03Å; Q276-R279 PolarHBondContact O-N 3.39Å; R277-R279 PolarHBondContact O-N 3.35Å; R279-L281 VanDerWaalsContact C-N 3.33Å; R279-A282 PolarHBondContact O-N 3.29Å; R279-F283 PolarHBondContact O-N 2.91Å
280T98.3Very high97.3Very high44 Ų4449.6 Ų49.627%0.2726%0.259SS..Hα-helixtrans-63.2-40176.5-51.60000111.6L241 Y253 Q276 R277 A282 F283 L284L241-T280 HydrophobicContact CD2-CG2 3.97Å; Y253-T280 HydrophobicContact CE1-CG2 3.66Å; Y253-T280 WeakPolarHBondContact OH-CG2 3.47Å; Q276-T280 PolarHBondContact O-N 2.84Å; Q276-T280 PolarHBondContact O-OG1 3.2Å; R277-T280 WeakPolarHBondContact O-CB 3.31Å; R277-T280 PolarHBondContact O-N 3.3Å; T280-A282 PolarHBondContact O-N 2.7Å; T280-F283 WeakPolarHBondContact O-CB 3.36Å; T280-F283 PolarHBondContact O-N 3.43Å; T280-L284 PolarHBondContact O-N 3.26Å
281L98.6Very high97.7Very high0 Ų045.6 Ų45.60%024%0.237CC..Hα-helixtrans-62.1-43.2173.5-62.2-171.2000111.9Y253 F256 R277 V278 R279 F283 L284 V285 V293 V295 M324 I329Y253-L281 HydrophobicContact CD1-CD2 4.35Å; Y253-L281 HydrophobicContact CD2-CD2 3.52Å; Y253-L281 HydrophobicContact CE2-CD2 4.08Å; Y253-L281 HydrophobicContact CG-CD2 3.69Å; F256-L281 HydrophobicContact CE2-CD1 4.1Å; F256-L281 HydrophobicContact CZ-CD1 3.78Å; R277-L281 WeakPolarHBondContact O-CG 3.38Å; R277-L281 PolarHBondContact O-N 3.44Å; V278-L281 PolarHBondContact O-N 2.73Å; R279-L281 VanDerWaalsContact C-N 3.33Å; L281-F283 VanDerWaalsContact C-N 3.3Å; L281-F283 PolarHBondContact O-N 3.35Å; L281-L284 PolarHBondContact O-N 3.29Å; L281-V285 WeakPolarHBondContact O-CB 3.18Å; L281-V285 WeakPolarHBondContact O-CG2 3.17Å; L281-V285 PolarHBondContact O-N 3.26Å; L281-V293 HydrophobicContact CD2-CG1 3.6Å; L281-V295 HydrophobicContact CD1-CG1 3.67Å; L281-M324 HydrophobicContact CD1-CE 3.35Å; L281-I329 HydrophobicContact CB-CD1 4.14Å
282A98.4Very high98Very high28 Ų2847 Ų4723%0.23124%0.243CC..Hα-helixtrans-63.1-37.1175.800000112.2V278 R279 T280 K286 I329V278-A282 WeakPolarHBondContact O-CB 3.22Å; V278-A282 PolarHBondContact O-N 3.15Å; R279-A282 PolarHBondContact O-N 3.29Å; T280-A282 PolarHBondContact O-N 2.7Å; A282-K286 WeakPolarHBondContact O-CB 3.46Å; A282-K286 PolarHBondContact O-N 3.43Å; A282-I329 HydrophobicContact CB-CD1 4.1Å; A282-I329 HydrophobicContact CB-CG1 3.98Å
283F98.4Very high98.2Very high29 Ų2946.2 Ų46.213%0.12724%0.238CC..Hα-helixtrans-61.4-54.2172.8166.3-102.2000111.4E238 L241 L242 R279 T280 L281 V285 K286 E287E238-F283 HydrophobicContact CB-CE1 3.96Å; E238-F283 HydrophobicContact CB-CE2 4.29Å; E238-F283 HydrophobicContact CB-CZ 3.64Å; E238-F283 HydrophobicContact CG-CD1 4.34Å; E238-F283 HydrophobicContact CG-CE1 3.91Å; E238-F283 HydrophobicContact CG-CE2 4.23Å; E238-F283 HydrophobicContact CG-CZ 3.85Å; L241-F283 HydrophobicContact CD2-CE1 4.34Å; L242-F283 HydrophobicContact CD1-CE1 4.48Å; L242-F283 HydrophobicContact CD1-CZ 3.75Å; L242-F283 HydrophobicContact CD2-CE1 4.02Å; L242-F283 HydrophobicContact CD2-CZ 4.01Å; L242-F283 HydrophobicContact CG-CE1 4.1Å; L242-F283 HydrophobicContact CG-CZ 3.86Å; R279-F283 PolarHBondContact O-N 2.91Å; T280-F283 WeakPolarHBondContact O-CB 3.36Å; T280-F283 PolarHBondContact O-N 3.43Å; L281-F283 VanDerWaalsContact C-N 3.3Å; L281-F283 PolarHBondContact O-N 3.35Å; F283-V285 VanDerWaalsContact C-N 3.29Å; F283-V285 PolarHBondContact O-N 3.15Å; F283-K286 WeakPolarHBondContact O-CB 3.32Å; F283-K286 PolarHBondContact O-N 2.93Å; F283-E287 HydrophobicContact CD2-CG 4.09Å; F283-E287 HydrophobicContact CE1-CG 4.43Å; F283-E287 HydrophobicContact CE2-CG 3.7Å; F283-E287 HydrophobicContact CZ-CG 3.89Å; F283-E287 WeakPolarHBondContact O-CG 3.31Å; F283-E287 PolarHBondContact O-N 3.05Å
284L98.5Very high98.3Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-58-40.9178.9-73.3172.4000112.8L241 L251 Y253 T280 L281 E287 G288 Y289 V293L241-L284 HydrophobicContact CD2-CD1 4.42Å; L241-L284 HydrophobicContact CD2-CD2 3.9Å; L241-L284 HydrophobicContact CD2-CG 4.27Å; L241-L284 HydrophobicContact CG-CD2 4.05Å; L251-L284 HydrophobicContact CD1-CD1 3.9Å; L251-L284 HydrophobicContact CD1-CD2 3.73Å; L251-L284 HydrophobicContact CD1-CG 4.42Å; Y253-L284 HydrophobicContact CD2-CD1 4.46Å; Y253-L284 HydrophobicContact CE2-CD1 3.53Å; T280-L284 PolarHBondContact O-N 3.26Å; L281-L284 PolarHBondContact O-N 3.29Å; L284-E287 CarbonylContact O-C 3.58Å; L284-E287 PolarHBondContact O-N 3.37Å; L284-G288 PolarHBondContact O-N 3.03Å; L284-Y289 HydrophobicContact CD2-CD2 4.45Å; L284-Y289 WeakPolarHBondContact O-CB 3.49Å; L284-Y289 PolarHBondContact O-N 3.37Å; L284-V293 HydrophobicContact CB-CG2 4.07Å; L284-V293 HydrophobicContact CD1-CG2 4.06Å
285V98Very high98.3Very high13 Ų1343.9 Ų43.98%0.07922%0.223CC..Hα-helixtrans-61.7-45.8175.1165.40000111.2L281 F283 E287 G288 E290 Q333L281-V285 WeakPolarHBondContact O-CB 3.18Å; L281-V285 WeakPolarHBondContact O-CG2 3.17Å; L281-V285 PolarHBondContact O-N 3.26Å; F283-V285 VanDerWaalsContact C-N 3.29Å; F283-V285 PolarHBondContact O-N 3.15Å; V285-E287 VanDerWaalsContact C-N 3.27Å; V285-E287 PolarHBondContact O-N 2.93Å; V285-G288 PolarHBondContact O-N 2.85Å; V285-E290 HydrophobicContact CB-CB 4.47Å; V285-E290 HydrophobicContact CG1-CB 4.33Å; V285-E290 HydrophobicContact CG2-CB 4.01Å; V285-Q333 HydrophobicContact CG1-CG 4.02Å
286K97.9Very high98.4Very high167 Ų16741.6 Ų41.673%0.72621%0.207SC*.Hα-helixtrans-62.1-36.1177.7-177.8-168.9169.9-149.70112.1A282 F283 G288A282-K286 WeakPolarHBondContact O-CB 3.46Å; A282-K286 PolarHBondContact O-N 3.43Å; F283-K286 WeakPolarHBondContact O-CB 3.32Å; F283-K286 PolarHBondContact O-N 2.93Å; K286-G288 PolarHBondContact O-N 3.43Å
287E98.4Very high98.4Very high85 Ų8537.2 Ų37.240%0.39719%0.187SC..THydrogen-bonded Turntrans-80.64.3176.6-60.5-55.4132.600113.2L242 F283 L284 V285 Y289L242-E287 HydrophobicContact CD1-CG 4.37Å; L242-E287 HydrophobicContact CD2-CB 3.75Å; L242-E287 HydrophobicContact CD2-CG 3.9Å; F283-E287 HydrophobicContact CD2-CG 4.09Å; F283-E287 HydrophobicContact CE1-CG 4.43Å; F283-E287 HydrophobicContact CE2-CG 3.7Å; F283-E287 HydrophobicContact CZ-CG 3.89Å; F283-E287 WeakPolarHBondContact O-CG 3.31Å; F283-E287 PolarHBondContact O-N 3.05Å; L284-E287 CarbonylContact O-C 3.58Å; L284-E287 PolarHBondContact O-N 3.37Å; V285-E287 VanDerWaalsContact C-N 3.27Å; V285-E287 PolarHBondContact O-N 2.93Å; E287-Y289 HydrophobicContact CB-CD2 4.01Å; E287-Y289 HydrophobicContact CB-CE2 4.2Å
288G97.8Very high98.5Very high57 Ų5737.7 Ų37.759%0.58819%0.189SC*.THydrogen-bonded Turntrans91.710.5171.400000115.7L284 V285 K286L284-G288 PolarHBondContact O-N 3.03Å; V285-G288 PolarHBondContact O-N 2.85Å; K286-G288 PolarHBondContact O-N 3.43Å
289Y98.4Very high98.4Very high49 Ų4937.7 Ų37.719%0.19219%0.189CC..  trans-92.916.4-178.3-65.9-81.4000114.2L242 A245 L284 E287 D291 K292 V293L242-Y289 HydrophobicContact CD2-CD2 4.06Å; L242-Y289 HydrophobicContact CD2-CE2 3.54Å; A245-Y289 HydrophobicContact CB-CD1 3.75Å; A245-Y289 HydrophobicContact CB-CD2 4.34Å; A245-Y289 HydrophobicContact CB-CE1 3.43Å; A245-Y289 VanDerWaalsContact CB-CE1 3.43Å; A245-Y289 HydrophobicContact CB-CE2 4.07Å; A245-Y289 HydrophobicContact CB-CG 4.19Å; L284-Y289 HydrophobicContact CD2-CD2 4.45Å; L284-Y289 WeakPolarHBondContact O-CB 3.49Å; L284-Y289 PolarHBondContact O-N 3.37Å; E287-Y289 HydrophobicContact CB-CD2 4.01Å; E287-Y289 HydrophobicContact CB-CE2 4.2Å; Y289-D291 PolarHBondContact O-N 3.13Å; Y289-K292 PolarHBondContact O-N 2.91Å; Y289-V293 PolarHBondContact O-N 3.29Å
290E97.9Very high98.4Very high37 Ų3729.9 Ų29.917%0.17316%0.16CC..THydrogen-bonded Turntrans-57.1-26.2-177.662.6179.4-146.600114.3V285 K292 Q333 K336 N341V285-E290 HydrophobicContact CB-CB 4.47Å; V285-E290 HydrophobicContact CG1-CB 4.33Å; V285-E290 HydrophobicContact CG2-CB 4.01Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.31Å; E290-Q333 VanDerWaalsContact OE2-CG 3.26Å; E290-Q333 WeakPolarHBondContact OE2-CG 3.45Å; E290-Q333 PolarHBondContact OE2-NE2 3.04Å; E290-K336 HydrophobicContact CB-CD 4.42Å; E290-K336 HydrophobicContact CG-CD 4.02Å; E290-K336 IonicContact OE1-NZ 3.37Å; E290-K336 PolarHBondContact OE1-NZ 3.37Å; E290-N341 PolarHBondContact O-ND2 2.94Å
291D98.6Very high98.3Very high49 Ų4927.9 Ų27.926%0.26215%0.148SC..THydrogen-bonded Turntrans-83.10.5177-83.3-69.4000114.3Y250 Y289 K336 N341 R344Y250-D291 WeakPolarHBondContact CE1-O 3.5Å; Y289-D291 PolarHBondContact O-N 3.13Å; D291-K336 IonicContact OD1-NZ 3.96Å; D291-K336 PolarHBondContact OD1-NZ 3.1Å; D291-K336 IonicContact OD2-NZ 3.19Å; D291-K336 PolarHBondContact OD2-NZ 3.06Å; D291-N341 WeakPolarHBondContact CA-OD1 3.46Å; D291-N341 PolarHBondContact O-OD1 3.38Å; D291-R344 PolarHBondContact O-NH1 3.39Å; D291-R344 IonicContact OD1-CZ 3.87Å; D291-R344 IonicContact OD1-NH1 3.84Å; D291-R344 PolarHBondContact OD1-NH1 3.39Å; D291-R344 IonicContact OD1-NH2 3.34Å; D291-R344 PolarHBondContact OD1-NH2 2.95Å
292K98.5Very high98.3Very high47 Ų4728 Ų2820%0.20415%0.148CC..THydrogen-bonded Turntrans-126.40-176-68.3-64.7-175.3162.30114S224 G248 Y250 L251 Y289 E290S224-K292 PolarHBondContact O-NZ 3.34Å; G248-K292 PolarHBondContact O-NZ 2.78Å; Y250-K292 CarbonylContact C-O 3.51Å; Y250-K292 VanDerWaalsContact CA-O 3.24Å; Y250-K292 WeakPolarHBondContact CA-O 3.45Å; Y250-K292 HydrophobicContact CD1-CD 4.13Å; Y250-K292 HydrophobicContact CE1-CD 4.17Å; Y250-K292 HydrophobicContact CG-CD 4.3Å; L251-K292 PolarHBondContact N-O 2.94Å; Y289-K292 PolarHBondContact O-N 2.91Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.31Å
293V98.8Very high98.2Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-87.9133.1177.8170.90000110.8L251 L281 L284 Y289 V295 I337 N341L251-V293 WeakPolarHBondContact O-CA 3.49Å; L281-V293 HydrophobicContact CD2-CG1 3.6Å; L284-V293 HydrophobicContact CB-CG2 4.07Å; L284-V293 HydrophobicContact CD1-CG2 4.06Å; Y289-V293 PolarHBondContact O-N 3.29Å; V293-V295 HydrophobicContact CG1-CG1 4.4Å; V293-I337 HydrophobicContact CB-CG1 4.11Å; V293-I337 HydrophobicContact CG1-CD1 3.98Å; V293-I337 HydrophobicContact CG1-CG1 3.86Å; V293-I337 HydrophobicContact CG1-CG2 4.27Å; V293-N341 PolarHBondContact O-ND2 3.44Å
294L98.9Very high98.1Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-125.8157.9168.8-61.4178.1000110.2T25 V227 Y250 L251 E252 Y253 N341 P342 W345T25-L294 HydrophobicContact CG2-CB 4.38Å; T25-L294 HydrophobicContact CG2-CD1 4.16Å; T25-L294 HydrophobicContact CG2-CD2 4.06Å; T25-L294 HydrophobicContact CG2-CG 4.43Å; V227-L294 HydrophobicContact CB-CD1 4.44Å; V227-L294 HydrophobicContact CG1-CD1 4.16Å; V227-L294 HydrophobicContact CG2-CD1 3.39Å; Y250-L294 HydrophobicContact CD1-CD1 3.99Å; Y250-L294 HydrophobicContact CD1-CD2 4.2Å; Y250-L294 HydrophobicContact CD1-CG 3.87Å; Y250-L294 HydrophobicContact CG-CD1 4.02Å; Y250-L294 HydrophobicContact CG-CG 4.33Å; L251-L294 PolarHBondContact O-N 3.35Å; E252-L294 WeakPolarHBondContact CA-O 3.33Å; E252-L294 HydrophobicContact CB-CB 4.18Å; E252-L294 HydrophobicContact CG-CB 4.25Å; Y253-L294 PolarHBondContact N-O 3.47Å; L294-N341 HydrophobicContact CD2-CB 3.59Å; L294-P342 HydrophobicContact CD2-CG 3.89Å; L294-W345 HydrophobicContact CD1-CD2 4.2Å; L294-W345 HydrophobicContact CD1-CE3 3.88Å; L294-W345 HydrophobicContact CD1-CZ3 4.33Å
295V98.9Very high98.1Very high1 Ų127.1 Ų27.11%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-142.9148.3-178.3-59.30000111.7T25 Y253 F256 L281 V293 I316 M324 I337 L338T25-V295 PolarHBondContact OG1-O 3.05Å; Y253-V295 VanDerWaalsContact O-CA 3.28Å; Y253-V295 WeakPolarHBondContact O-CA 3.39Å; F256-V295 HydrophobicContact CD2-CB 4.28Å; F256-V295 HydrophobicContact CE2-CB 4Å; F256-V295 HydrophobicContact CE2-CG1 3.81Å; L281-V295 HydrophobicContact CD1-CG1 3.67Å; V293-V295 HydrophobicContact CG1-CG1 4.4Å; V295-I316 HydrophobicContact CB-CD1 4.24Å; V295-I316 HydrophobicContact CG2-CD1 4.12Å; V295-I316 HydrophobicContact CG2-CG2 4.33Å; V295-M324 HydrophobicContact CG1-CE 4.34Å; V295-I337 HydrophobicContact CB-CG2 4.29Å; V295-I337 HydrophobicContact CG1-CG2 3.73Å; V295-I337 HydrophobicContact CG2-CG2 3.64Å; V295-L338 HydrophobicContact CG2-CD2 3.62Å
296A98.9Very high98.1Very high0 Ų030.4 Ų30.40%016%0.16CC..  trans-161.1-171.4173.500000111.3H26 Y253 D254 F256 I316H26-A296 HydrophobicContact CB-CB 3.64Å; H26-A296 VanDerWaalsContact N-CB 3.28Å; H26-A296 WeakPolarHBondContact O-CB 3.33Å; Y253-A296 PolarHBondContact O-N 3.44Å; Y253-A296 VanDerWaalsContact O-N 3.16Å; D254-A296 CarbonylContact C-O 3.59Å; D254-A296 WeakPolarHBondContact CA-O 3.49Å; D254-A296 HydrophobicContact CB-CB 3.9Å; D254-A296 CarbonylContact O-C 3.42Å; D254-A296 VanDerWaalsContact O-C 3.32Å; D254-A296 VanDerWaalsContact O-O 3.08Å; F256-A296 PolarHBondContact N-O 2.72Å; A296-I316 VanDerWaalsContact C-CD1 3.5Å; A296-I316 WeakPolarHBondContact O-CD1 3.36Å
297H98.8Very high98Very high0 Ų028.4 Ų28.40%015%0.151CC..  trans-111.8-20.2177.3-44.387.6000113.6M24 E27 D254 I299 R304 H311 Y313 I316M24-H297 PolarHBondContact SD-CE1 3.12Å; E27-H297 IonicContact OE1-CE1 3.19Å; E27-H297 IonicContact OE1-CG 3.22Å; E27-H297 PolarHBondContact OE1-N 3.37Å; E27-H297 IonicContact OE1-ND1 3.58Å; E27-H297 PolarHBondContact OE1-ND1 3.01Å; E27-H297 IonicContact OE2-ND1 2.61Å; D254-H297 CarbonylContact O-C 3.6Å; D254-H297 WeakPolarHBondContact O-CA 3.32Å; D254-H297 PolarHBondContact O-N 3.17Å; H297-I299 VanDerWaalsContact C-N 3.26Å; H297-I299 HydrophobicContact CB-CD1 4Å; H297-I299 HydrophobicContact CB-CG1 3.74Å; H297-I299 PolarHBondContact O-N 2.91Å; H297-R304 PolarHBondContact O-NH1 3.17Å; H297-R304 PolarHBondContact O-NH2 3.27Å; H297-H311 AromaticContact CD2-CD2 3.99Å; H297-Y313 PolarHBondContact CE1-O 3.21Å; H297-I316 VanDerWaalsContact NE2-CG1 3.29Å; H297-I316 WeakPolarHBondContact NE2-CG1 3.48Å; H297-I316 PolarHBondContact NE2-N 3.32Å
298D98.4Very high97.9Very high10 Ų1025.4 Ų25.45%0.05314%0.137CC..  trans52.945.8-173.517518000110.4H26 E27 H28 H230 D254 L255 H300 R304H26-D298 IonicContact NE2-OD1 3.85Å; H26-D298 WeakPolarHBondContact O-CA 3.44Å; H26-D298 PolarHBondContact O-N 3.1Å; E27-D298 PolarHBondContact OE2-N 3.02Å; H28-D298 IonicContact CD2-OD1 3.99Å; H28-D298 PolarHBondContact CD2-OD1 3.02Å; H28-D298 IonicContact NE2-OD1 3.27Å; H28-D298 PolarHBondContact NE2-OD1 3.3Å; H230-D298 IonicContact CE1-OD2 3.7Å; H230-D298 PolarHBondContact CE1-OD2 3.41Å; D254-D298 HydrophobicContact CB-CB 4.37Å; D254-D298 WeakPolarHBondContact O-CB 3.2Å; D254-D298 PolarHBondContact O-N 3.29Å; D254-D298 VanDerWaalsContact O-N 3.08Å; L255-D298 HydrophobicContact CD2-CB 3.94Å; L255-D298 WeakPolarHBondContact CD2-OD2 3.42Å; D298-H300 PolarHBondContact O-N 2.94Å; D298-H300 PolarHBondContact O-ND1 3.33Å; D298-H300 IonicContact OD1-CE1 3.6Å; D298-H300 IonicContact OD1-CG 3.32Å; D298-H300 IonicContact OD1-ND1 3.54Å; D298-H300 PolarHBondContact OD1-ND1 3.08Å; D298-H300 IonicContact OD2-CE1 2.67Å; D298-H300 IonicContact OD2-ND1 2.76Å; D298-H300 PolarHBondContact OD2-ND1 3.27Å; D298-R304 VanDerWaalsContact C-NH1 3.25Å; D298-R304 PolarHBondContact O-NH1 2.93Å
299I98.5Very high97.8Very high0 Ų025.4 Ų25.40%014%0.137CC..  trans-68.9106.9179.7-71.3169.4000109.2E27 H28 H297 R304 L305 G312 Y313E27-I299 PolarHBondContact OE2-N 3.48Å; E27-I299 VanDerWaalsContact OE2-N 3.09Å; H28-I299 CarbonylContact C-O 2.74Å; H28-I299 WeakPolarHBondContact CB-O 3.44Å; H28-I299 PolarHBondContact N-O 3.38Å; H297-I299 VanDerWaalsContact C-N 3.26Å; H297-I299 HydrophobicContact CB-CD1 4Å; H297-I299 HydrophobicContact CB-CG1 3.74Å; H297-I299 PolarHBondContact O-N 2.91Å; I299-R304 HydrophobicContact CG1-CB 4.21Å; I299-R304 HydrophobicContact CG2-CB 4.05Å; I299-L305 HydrophobicContact CG2-CD2 3.82Å; I299-G312 VanDerWaalsContact CD1-C 3.47Å; I299-Y313 HydrophobicContact CB-CD1 4.39Å; I299-Y313 HydrophobicContact CB-CE1 3.7Å; I299-Y313 HydrophobicContact CD1-CD1 3.86Å; I299-Y313 HydrophobicContact CD1-CD2 4.06Å; I299-Y313 HydrophobicContact CD1-CE1 3.99Å; I299-Y313 HydrophobicContact CD1-CE2 4.23Å; I299-Y313 HydrophobicContact CD1-CG 3.91Å; I299-Y313 HydrophobicContact CG1-CE1 4.35Å; I299-Y313 HydrophobicContact CG2-CE1 4.08Å; I299-Y313 HydrophobicContact CG2-CE2 4.16Å; I299-Y313 WeakPolarHBondContact CG2-OH 3.12Å
300H97.1Very high97.7Very high11 Ų1124 Ų245%0.05114%0.137CC..  trans-124.36.6178.856.7-99.5000114.5H28 M31 F33 Y65 D298H28-H300 HydrophobicContact CB-CB 4.33Å; M31-H300 HydrophobicContact CE-CB 4.11Å; M31-H300 HydrophobicContact SD-CB 3.37Å; M31-H300 WeakPolarHBondContact SD-CB 3.3Å; F33-H300 AromaticContact CD1-CD2 3.62Å; F33-H300 AromaticContact CE1-CD2 3.77Å; F33-H300 AromaticContact CE1-NE2 3.91Å; Y65-H300 AromaticContact CE1-NE2 3.56Å; Y65-H300 AromaticContact CZ-NE2 3.59Å; Y65-H300 PolarHBondContact OH-NE2 3.06Å; D298-H300 PolarHBondContact O-N 2.94Å; D298-H300 PolarHBondContact O-ND1 3.33Å; D298-H300 IonicContact OD1-CE1 3.6Å; D298-H300 IonicContact OD1-CG 3.32Å; D298-H300 IonicContact OD1-ND1 3.54Å; D298-H300 PolarHBondContact OD1-ND1 3.08Å; D298-H300 IonicContact OD2-CE1 2.67Å; D298-H300 IonicContact OD2-ND1 2.76Å; D298-H300 PolarHBondContact OD2-ND1 3.27Å
301T97.1Very high97.7Very high2 Ų224.2 Ų24.21%0.01214%0.138CC..SBendtrans-135.6150.8179.860.30000113Y65 N70 L71 N303 R304Y65-T301 HydrophobicContact CE1-CG2 4.41Å; N70-T301 WeakPolarHBondContact O-CA 3.33Å; N70-T301 WeakPolarHBondContact O-CB 3.5Å; L71-T301 HydrophobicContact CD2-CG2 3.92Å; T301-N303 VanDerWaalsContact CB-OD1 3.28Å; T301-N303 WeakPolarHBondContact CB-OD1 3.49Å; T301-N303 PolarHBondContact O-N 3.47Å; T301-N303 PolarHBondContact OG1-OD1 2.91Å; T301-R304 WeakPolarHBondContact O-CB 3.42Å; T301-R304 PolarHBondContact O-N 2.8Å; T301-R304 WeakPolarHBondContact OG1-CD 3.18Å; T301-R304 WeakPolarHBondContact OG1-CG 3.24Å
302K97.4Very high97.7Very high2 Ų221.9 Ų21.91%0.00913%0.126CC..G310 helixtrans-60.2-42.5-176.9-64.3-168.2-176.2-170.80112.8F52 E69 N70 F72 Q75 E76 R304 L305 F308F52-K302 HydrophobicContact CE1-CB 4.02Å; F52-K302 HydrophobicContact CE2-CB 4.5Å; F52-K302 HydrophobicContact CE2-CD 4.06Å; F52-K302 HydrophobicContact CZ-CB 3.63Å; F52-K302 HydrophobicContact CZ-CD 3.98Å; F52-K302 HydrophobicContact CZ-CG 4.37Å; E69-K302 WeakPolarHBondContact O-CD 3.45Å; E69-K302 WeakPolarHBondContact O-CE 3.28Å; E69-K302 IonicContact OE1-NZ 3.58Å; N70-K302 PolarHBondContact O-N 3.2Å; N70-K302 PolarHBondContact OD1-N 3.33Å; F72-K302 WeakPolarHBondContact O-CE 3.46Å; Q75-K302 VanDerWaalsContact OE1-NZ 3.16Å; E76-K302 HydrophobicContact CG-CD 3.63Å; E76-K302 HydrophobicContact CG-CG 3.88Å; E76-K302 WeakPolarHBondContact OE1-CE 3.25Å; E76-K302 IonicContact OE1-NZ 3.43Å; E76-K302 PolarHBondContact OE1-NZ 2.97Å; K302-R304 PolarHBondContact O-N 2.67Å; K302-L305 WeakPolarHBondContact O-CB 3.44Å; K302-L305 WeakPolarHBondContact O-CG 3.12Å; K302-L305 PolarHBondContact O-N 3.31Å; K302-F308 HydrophobicContact CB-CD2 3.88Å; K302-F308 HydrophobicContact CB-CE2 3.91Å; K302-F308 HydrophobicContact CB-CG 4.42Å; K302-F308 HydrophobicContact CB-CZ 4.47Å; K302-F308 HydrophobicContact CD-CE2 4.22Å; K302-F308 HydrophobicContact CD-CZ 4.14Å; K302-F308 HydrophobicContact CG-CE2 4.37Å; K302-F308 WeakPolarHBondContact O-CB 3.26Å; K302-F308 WeakPolarHBondContact O-CD2 3.42Å
303N96.4Very high97.7Very high21 Ų2119.6 Ų19.611%0.11212%0.116CC..G310 helixtrans-60.6-12.4-178.573.9-56.5000114F52 L60 N70 T301 G310F52-N303 HydrophobicContact CE1-CB 4.24Å; L60-N303 HydrophobicContact CD1-CB 4.25Å; N70-N303 PolarHBondContact ND2-OD1 3.35Å; N70-N303 VanDerWaalsContact OD1-CB 3.3Å; N70-N303 WeakPolarHBondContact OD1-CB 3.27Å; N70-N303 PolarHBondContact OD1-N 3.14Å; N70-N303 PolarHBondContact OD1-OD1 3.11Å; N70-N303 VanDerWaalsContact OD1-OD1 3.12Å; T301-N303 VanDerWaalsContact CB-OD1 3.28Å; T301-N303 WeakPolarHBondContact CB-OD1 3.49Å; T301-N303 PolarHBondContact O-N 3.47Å; T301-N303 PolarHBondContact OG1-OD1 2.91Å; N303-G310 WeakPolarHBondContact O-CA 3.22Å; N303-G310 PolarHBondContact O-N 3.33Å
304R97.4Very high97.7Very high18 Ų1819.9 Ų19.97%0.06812%0.117CC..G310 helixtrans-90.8-11.9176.5-63.9-174.981.6-148.5-14.1113.1F256 T258 H297 D298 I299 T301 K302 G310 H311 G312F256-R304 PolarHBondContact O-NH2 2.68Å; F256-R304 VanDerWaalsContact O-NH2 3.1Å; T258-R304 PolarHBondContact OG1-NH2 2.83Å; H297-R304 PolarHBondContact O-NH1 3.17Å; H297-R304 PolarHBondContact O-NH2 3.27Å; D298-R304 VanDerWaalsContact C-NH1 3.25Å; D298-R304 PolarHBondContact O-NH1 2.93Å; I299-R304 HydrophobicContact CG1-CB 4.21Å; I299-R304 HydrophobicContact CG2-CB 4.05Å; T301-R304 WeakPolarHBondContact O-CB 3.42Å; T301-R304 PolarHBondContact O-N 2.8Å; T301-R304 WeakPolarHBondContact OG1-CD 3.18Å; T301-R304 WeakPolarHBondContact OG1-CG 3.24Å; K302-R304 PolarHBondContact O-N 2.67Å; R304-G310 CarbonylContact O-C 3.58Å; R304-H311 PolarHBondContact NE-CE1 3.2Å; R304-H311 VanDerWaalsContact NE-CE1 3.34Å; R304-H311 PolarHBondContact NH2-CE1 3.12Å; R304-H311 VanDerWaalsContact NH2-CE1 3.31Å; R304-H311 PolarHBondContact NH2-NE2 2.64Å; R304-H311 VanDerWaalsContact NH2-NE2 3.19Å; R304-H311 PolarHBondContact O-N 2.97Å; R304-G312 PolarHBondContact O-N 3.42Å
305L98.2Very high97.7Very high0 Ų021 Ų210%012%0.123CC..SBendtrans-78.2145.9170-47.6179.9000110.9L73 E76 A79 L80 E83 I299 K302 K307 F308 G309 G310 Y313L73-L305 HydrophobicContact CD1-CD1 3.74Å; L73-L305 HydrophobicContact CD1-CD2 4.16Å; L73-L305 HydrophobicContact CD1-CG 4.09Å; E76-L305 HydrophobicContact CB-CD1 4.13Å; A79-L305 HydrophobicContact CB-CD1 4.03Å; L80-L305 HydrophobicContact CD2-CD1 4.49Å; L80-L305 HydrophobicContact CD2-CD2 4.19Å; E83-L305 HydrophobicContact CG-CD2 4.18Å; I299-L305 HydrophobicContact CG2-CD2 3.82Å; K302-L305 WeakPolarHBondContact O-CB 3.44Å; K302-L305 WeakPolarHBondContact O-CG 3.12Å; K302-L305 PolarHBondContact O-N 3.31Å; L305-K307 VanDerWaalsContact C-N 3.25Å; L305-K307 PolarHBondContact O-N 3.37Å; L305-F308 HydrophobicContact CB-CD2 4.16Å; L305-F308 HydrophobicContact CD1-CD2 4.32Å; L305-F308 HydrophobicContact CD1-CE2 4.29Å; L305-F308 CarbonylContact O-C 3.32Å; L305-F308 PolarHBondContact O-N 2.95Å; L305-G309 PolarHBondContact O-N 2.87Å; L305-G310 WeakPolarHBondContact O-CA 3.48Å; L305-G310 PolarHBondContact O-N 2.71Å; L305-Y313 HydrophobicContact CD2-CE2 3.64Å
306T97.6Very high97.7Very high82 Ų8220.9 Ų20.950%0.50312%0.122SC..G310 helixtrans-60.5-32.7179.259.50000113E83 F308 G309 G310E83-T306 WeakPolarHBondContact OE1-CA 3.31Å; E83-T306 WeakPolarHBondContact OE1-CB 3.28Å; E83-T306 VanDerWaalsContact OE1-CG2 3.24Å; E83-T306 WeakPolarHBondContact OE1-CG2 3.3Å; E83-T306 PolarHBondContact OE1-N 2.78Å; E83-T306 PolarHBondContact OE1-OG1 3.03Å; T306-F308 PolarHBondContact O-N 3.25Å; T306-F308 VanDerWaalsContact O-N 3.14Å; T306-G309 PolarHBondContact O-N 3.35Å; T306-G310 WeakPolarHBondContact CA-O 3.36Å
307K96.9Very high97.7Very high125 Ų12521.8 Ų21.854%0.54313%0.127SC..G310 helixtrans-52.2-33.6171.7178-178.9171-170.50112.4E76 A79 L305E76-K307 IonicContact OE2-NZ 2.97Å; E76-K307 PolarHBondContact OE2-NZ 2.85Å; A79-K307 HydrophobicContact CB-CB 4.2Å; A79-K307 HydrophobicContact CB-CD 3.54Å; L305-K307 VanDerWaalsContact C-N 3.25Å; L305-K307 PolarHBondContact O-N 3.37Å
308F96.3Very high97.7Very high23 Ų2327.3 Ų27.310%0.10115%0.151CC..G310 helixtrans-106.619.5-178.5-59.6-75.5000112.7F52 E76 K302 L305 T306 G310F52-F308 HydrophobicContact CB-CD1 4.12Å; F52-F308 HydrophobicContact CB-CE1 4.46Å; F52-F308 HydrophobicContact CD1-CB 4.04Å; F52-F308 AromaticContact CD1-CD1 3.41Å; F52-F308 HydrophobicContact CD1-CD1 3.41Å; F52-F308 VanDerWaalsContact CD1-CD1 3.41Å; F52-F308 HydrophobicContact CD1-CE1 4.11Å; F52-F308 AromaticContact CD1-CG 3.96Å; F52-F308 HydrophobicContact CD1-CG 3.96Å; F52-F308 HydrophobicContact CD2-CD1 4.21Å; F52-F308 HydrophobicContact CD2-CE1 4.08Å; F52-F308 HydrophobicContact CE1-CB 4.19Å; F52-F308 AromaticContact CE1-CD1 3.85Å; F52-F308 HydrophobicContact CE1-CD1 3.85Å; F52-F308 HydrophobicContact CE1-CE1 4.43Å; F52-F308 HydrophobicContact CE1-CG 4.06Å; F52-F308 HydrophobicContact CE2-CE1 4.43Å; F52-F308 AromaticContact CG-CD1 3.64Å; F52-F308 HydrophobicContact CG-CD1 3.64Å; F52-F308 AromaticContact CG-CE1 3.94Å; F52-F308 HydrophobicContact CG-CE1 3.94Å; F52-F308 HydrophobicContact CZ-CD1 4.44Å; E76-F308 VanDerWaalsContact CD-CZ 3.46Å; E76-F308 HydrophobicContact CG-CE2 3.87Å; E76-F308 HydrophobicContact CG-CZ 4.15Å; E76-F308 WeakPolarHBondContact OE2-CZ 3.49Å; K302-F308 HydrophobicContact CB-CD2 3.88Å; K302-F308 HydrophobicContact CB-CE2 3.91Å; K302-F308 HydrophobicContact CB-CG 4.42Å; K302-F308 HydrophobicContact CB-CZ 4.47Å; K302-F308 HydrophobicContact CD-CE2 4.22Å; K302-F308 HydrophobicContact CD-CZ 4.14Å; K302-F308 HydrophobicContact CG-CE2 4.37Å; K302-F308 WeakPolarHBondContact O-CB 3.26Å; K302-F308 WeakPolarHBondContact O-CD2 3.42Å; L305-F308 HydrophobicContact CB-CD2 4.16Å; L305-F308 HydrophobicContact CD1-CD2 4.32Å; L305-F308 HydrophobicContact CD1-CE2 4.29Å; L305-F308 CarbonylContact O-C 3.32Å; L305-F308 PolarHBondContact O-N 2.95Å; T306-F308 PolarHBondContact O-N 3.25Å; T306-F308 VanDerWaalsContact O-N 3.14Å; F308-G310 VanDerWaalsContact C-N 3.34Å
309G94.4Very high97.7Very high57 Ų5731 Ų3159%0.58817%0.171SC*.THydrogen-bonded Turntrans81.69.9178.700000115L305 T306L305-G309 PolarHBondContact O-N 2.87Å; T306-G309 PolarHBondContact O-N 3.35Å
310G96.6Very high97.7Very high19 Ų1931.3 Ų31.320%0.19617%0.172CC..  trans-79-18017400000113.9N303 R304 L305 T306 F308N303-G310 WeakPolarHBondContact O-CA 3.22Å; N303-G310 PolarHBondContact O-N 3.33Å; R304-G310 CarbonylContact O-C 3.58Å; L305-G310 WeakPolarHBondContact O-CA 3.48Å; L305-G310 PolarHBondContact O-N 2.71Å; T306-G310 WeakPolarHBondContact CA-O 3.36Å; F308-G310 VanDerWaalsContact C-N 3.34Å
311H97.6Very high97.8Very high41 Ų4131.7 Ų31.719%0.1918%0.175CC..  trans-85.6-26-176.559.1-55.1000113.6F256 H297 R304 H315F256-H311 PolarHBondContact O-NE2 2.9Å; H297-H311 AromaticContact CD2-CD2 3.99Å; R304-H311 PolarHBondContact NE-CE1 3.2Å; R304-H311 VanDerWaalsContact NE-CE1 3.34Å; R304-H311 PolarHBondContact NH2-CE1 3.12Å; R304-H311 VanDerWaalsContact NH2-CE1 3.31Å; R304-H311 PolarHBondContact NH2-NE2 2.64Å; R304-H311 VanDerWaalsContact NH2-NE2 3.19Å; R304-H311 PolarHBondContact O-N 2.97Å; H311-H315 HydrophobicContact CB-CB 3.92Å; H311-H315 AromaticContact CD2-CD2 3.98Å; H311-H315 AromaticContact CD2-CG 3.65Å
312G98.4Very high97.8Very high0 Ų034.4 Ų34.40%019%0.193CC..  trans67.4175.9177.700000114.9E83 I299 R304 S314 H315E83-G312 VanDerWaalsContact OE2-CA 3.28Å; E83-G312 WeakPolarHBondContact OE2-CA 3.5Å; I299-G312 VanDerWaalsContact CD1-C 3.47Å; R304-G312 PolarHBondContact O-N 3.42Å; G312-S314 PolarHBondContact O-N 3.3Å; G312-S314 VanDerWaalsContact O-N 3.16Å; G312-H315 WeakPolarHBondContact O-CB 3.34Å; G312-H315 PolarHBondContact O-N 3.42Å
313Y98.8Very high97.9Very high0 Ų037.2 Ų37.20%021%0.205CC..THydrogen-bonded Turntrans-73.3-10.4-171.6-59.7-93.6000113.4E27 H28 L29 L80 E83 Y87 I95 H297 I299 L305 H315E27-Y313 HydrophobicContact CB-CD1 4.31Å; E27-Y313 HydrophobicContact CB-CE1 3.98Å; E27-Y313 HydrophobicContact CG-CD1 3.98Å; E27-Y313 HydrophobicContact CG-CE1 4.16Å; H28-Y313 PolarHBondContact O-OH 3.47Å; L29-Y313 HydrophobicContact CD2-CE1 4Å; L29-Y313 HydrophobicContact CD2-CE2 4.47Å; L80-Y313 HydrophobicContact CD2-CE2 4.18Å; L80-Y313 WeakPolarHBondContact CD2-OH 3.46Å; E83-Y313 HydrophobicContact CB-CD2 3.64Å; E83-Y313 HydrophobicContact CB-CE2 3.95Å; E83-Y313 HydrophobicContact CG-CD2 3.97Å; E83-Y313 HydrophobicContact CG-CE2 4.1Å; E83-Y313 PolarHBondContact OE2-N 3.15Å; Y87-Y313 VanDerWaalsContact CD2-O 3.29Å; Y87-Y313 WeakPolarHBondContact CD2-O 3.32Å; I95-Y313 HydrophobicContact CD1-CD1 4.15Å; H297-Y313 PolarHBondContact CE1-O 3.21Å; I299-Y313 HydrophobicContact CB-CD1 4.39Å; I299-Y313 HydrophobicContact CB-CE1 3.7Å; I299-Y313 HydrophobicContact CD1-CD1 3.86Å; I299-Y313 HydrophobicContact CD1-CD2 4.06Å; I299-Y313 HydrophobicContact CD1-CE1 3.99Å; I299-Y313 HydrophobicContact CD1-CE2 4.23Å; I299-Y313 HydrophobicContact CD1-CG 3.91Å; I299-Y313 HydrophobicContact CG1-CE1 4.35Å; I299-Y313 HydrophobicContact CG2-CE1 4.08Å; I299-Y313 HydrophobicContact CG2-CE2 4.16Å; I299-Y313 WeakPolarHBondContact CG2-OH 3.12Å; L305-Y313 HydrophobicContact CD2-CE2 3.64Å; Y313-H315 VanDerWaalsContact C-N 3.33Å
314S98.6Very high98Very high5 Ų536.2 Ų36.24%0.03520%0.2CC..THydrogen-bonded Turntrans-85-5175.9-61.20000113.6A86 Y87 G312 I316 L317 K318A86-S314 VanDerWaalsContact C-OG 3.31Å; A86-S314 PolarHBondContact O-OG 2.9Å; Y87-S314 WeakPolarHBondContact CA-OG 3.4Å; Y87-S314 PolarHBondContact N-OG 3.49Å; G312-S314 PolarHBondContact O-N 3.3Å; G312-S314 VanDerWaalsContact O-N 3.16Å; S314-I316 PolarHBondContact O-N 2.81Å; S314-L317 PolarHBondContact O-N 3.14Å; S314-K318 WeakPolarHBondContact O-CB 3.39Å; S314-K318 WeakPolarHBondContact O-CG 3.43Å; S314-K318 PolarHBondContact O-N 3.42Å
315H98.8Very high98.1Very high23 Ų2338.8 Ų38.811%0.10622%0.215CC..Hα-helixtrans-61.4-44.3-168177.181.5000112.9D274 H311 G312 Y313 L317 K318 N319 I320D274-H315 IonicContact OD2-CE1 2.74Å; D274-H315 IonicContact OD2-NE2 3.5Å; D274-H315 PolarHBondContact OD2-NE2 2.97Å; D274-H315 VanDerWaalsContact OD2-NE2 3.1Å; H311-H315 HydrophobicContact CB-CB 3.92Å; H311-H315 AromaticContact CD2-CD2 3.98Å; H311-H315 AromaticContact CD2-CG 3.65Å; G312-H315 WeakPolarHBondContact O-CB 3.34Å; G312-H315 PolarHBondContact O-N 3.42Å; Y313-H315 VanDerWaalsContact C-N 3.33Å; H315-L317 PolarHBondContact O-N 3.09Å; H315-K318 PolarHBondContact O-N 2.85Å; H315-N319 PolarHBondContact ND1-ND2 3.22Å; H315-N319 WeakPolarHBondContact O-CB 3.49Å; H315-N319 PolarHBondContact O-N 3.02Å; H315-N319 PolarHBondContact O-ND2 3.47Å; H315-I320 VanDerWaalsContact NE2-CD1 3.33Å; H315-I320 WeakPolarHBondContact NE2-CD1 3.44Å; H315-I320 PolarHBondContact O-N 3.23Å
316I98.9Very high98Very high0 Ų043.9 Ų43.90%025%0.246CC..Iπ-helixtrans-57.8-49.5176.5-79.1166.4000110.8M24 F256 V295 A296 H297 S314 K318 I320 V321 L338M24-I316 HydrophobicContact CE-CG2 4.15Å; M24-I316 HydrophobicContact SD-CB 4.14Å; M24-I316 HydrophobicContact SD-CD1 3.88Å; M24-I316 HydrophobicContact SD-CG2 4.39Å; F256-I316 HydrophobicContact CB-CD1 4.09Å; F256-I316 HydrophobicContact CB-CG1 3.94Å; F256-I316 HydrophobicContact CD2-CD1 3.96Å; F256-I316 HydrophobicContact CD2-CG1 4.2Å; F256-I316 HydrophobicContact CG-CD1 4.25Å; F256-I316 HydrophobicContact CG-CG1 4.08Å; V295-I316 HydrophobicContact CB-CD1 4.24Å; V295-I316 HydrophobicContact CG2-CD1 4.12Å; V295-I316 HydrophobicContact CG2-CG2 4.33Å; A296-I316 VanDerWaalsContact C-CD1 3.5Å; A296-I316 WeakPolarHBondContact O-CD1 3.36Å; H297-I316 VanDerWaalsContact NE2-CG1 3.29Å; H297-I316 WeakPolarHBondContact NE2-CG1 3.48Å; H297-I316 PolarHBondContact NE2-N 3.32Å; S314-I316 PolarHBondContact O-N 2.81Å; I316-K318 PolarHBondContact O-N 3.2Å; I316-I320 HydrophobicContact CB-CB 4.38Å; I316-I320 HydrophobicContact CB-CG1 4.46Å; I316-I320 HydrophobicContact CG1-CB 4.29Å; I316-I320 HydrophobicContact CG1-CG1 4.04Å; I316-I320 HydrophobicContact CG2-CB 4.45Å; I316-I320 CarbonylContact O-C 3.52Å; I316-I320 WeakPolarHBondContact O-CB 3.2Å; I316-I320 PolarHBondContact O-N 2.93Å; I316-I320 VanDerWaalsContact O-N 3.13Å; I316-V321 HydrophobicContact CG2-CG2 4.43Å; I316-V321 WeakPolarHBondContact O-CG2 3.42Å; I316-V321 PolarHBondContact O-N 2.86Å; I316-L338 HydrophobicContact CG2-CD2 4.04Å
317L98.8Very high97.9Very high19 Ų1946.9 Ų46.910%0.09925%0.248CC..Iπ-helixtrans-66.4-38.9-177.2-59.8-174.4000112.7R22 M24 Y87 A90 S314 H315 L338R22-L317 HydrophobicContact CB-CD2 4.4Å; M24-L317 HydrophobicContact CE-CD2 4.41Å; Y87-L317 HydrophobicContact CD2-CD1 3.97Å; Y87-L317 HydrophobicContact CE2-CD1 3.66Å; Y87-L317 HydrophobicContact CE2-CG 4.3Å; A90-L317 HydrophobicContact CB-CB 4.34Å; A90-L317 HydrophobicContact CB-CD1 4.12Å; S314-L317 PolarHBondContact O-N 3.14Å; H315-L317 PolarHBondContact O-N 3.09Å; L317-L338 HydrophobicContact CD2-CD1 3.97Å
318K98.6Very high97.9Very high115 Ų11543.7 Ų43.750%0.525%0.251SS..Iπ-helixtrans-85.7-32.1-174.4-71.1-179.8179.9168.70114A90 S314 H315 I316 P322A90-K318 HydrophobicContact CB-CG 4.41Å; S314-K318 WeakPolarHBondContact O-CB 3.39Å; S314-K318 WeakPolarHBondContact O-CG 3.43Å; S314-K318 PolarHBondContact O-N 3.42Å; H315-K318 PolarHBondContact O-N 2.85Å; I316-K318 PolarHBondContact O-N 3.2Å; K318-P322 WeakPolarHBondContact O-CG 3.49Å
319N98.6Very high98Very high88 Ų8842.7 Ų42.747%0.47125%0.246SC..Iπ-helixtrans-122.7-45.2-168.3-53.4-61.1000112.4H315 K323H315-N319 PolarHBondContact ND1-ND2 3.22Å; H315-N319 WeakPolarHBondContact O-CB 3.49Å; H315-N319 PolarHBondContact O-N 3.02Å; H315-N319 PolarHBondContact O-ND2 3.47Å; N319-K323 WeakPolarHBondContact O-CB 3.29Å; N319-K323 PolarHBondContact O-N 2.98Å
320I98.8Very high98.2Very high6 Ų643.3 Ų43.33%0.03124%0.239CC..Iπ-helixtrans-74.9-43.3-176.3-55-55.7000111.5F256 D274 V278 H315 I316 K323 M324F256-I320 HydrophobicContact CD1-CB 4.39Å; F256-I320 HydrophobicContact CD1-CD1 3.53Å; F256-I320 HydrophobicContact CD1-CG1 3.6Å; F256-I320 HydrophobicContact CD1-CG2 3.91Å; F256-I320 HydrophobicContact CE1-CB 4.41Å; F256-I320 HydrophobicContact CE1-CD1 3.91Å; F256-I320 HydrophobicContact CE1-CG1 4.05Å; F256-I320 HydrophobicContact CE1-CG2 3.48Å; F256-I320 VanDerWaalsContact CE1-CG2 3.48Å; F256-I320 HydrophobicContact CG-CG1 4.19Å; F256-I320 HydrophobicContact CZ-CG2 3.85Å; D274-I320 HydrophobicContact CB-CD1 3.7Å; V278-I320 HydrophobicContact CG2-CG2 3.84Å; H315-I320 VanDerWaalsContact NE2-CD1 3.33Å; H315-I320 WeakPolarHBondContact NE2-CD1 3.44Å; H315-I320 PolarHBondContact O-N 3.23Å; I316-I320 HydrophobicContact CB-CB 4.38Å; I316-I320 HydrophobicContact CB-CG1 4.46Å; I316-I320 HydrophobicContact CG1-CB 4.29Å; I316-I320 HydrophobicContact CG1-CG1 4.04Å; I316-I320 HydrophobicContact CG2-CB 4.45Å; I316-I320 CarbonylContact O-C 3.52Å; I316-I320 WeakPolarHBondContact O-CB 3.2Å; I316-I320 PolarHBondContact O-N 2.93Å; I316-I320 VanDerWaalsContact O-N 3.13Å; I320-K323 CarbonylContact O-C 3.57Å; I320-K323 WeakPolarHBondContact O-CA 3.09Å; I320-K323 VanDerWaalsContact O-CB 3.31Å; I320-K323 WeakPolarHBondContact O-CB 3.45Å; I320-K323 PolarHBondContact O-N 3.01Å; I320-M324 HydrophobicContact CG2-CE 3.74Å; I320-M324 HydrophobicContact CG2-CG 4.09Å; I320-M324 HydrophobicContact CG2-SD 4.09Å; I320-M324 WeakPolarHBondContact O-CG 3.41Å; I320-M324 PolarHBondContact O-N 3.48Å
321V98.8Very high98.3Very high20 Ų2046.1 Ų46.112%0.12125%0.247CC..Hα-helixtrans-57.6-50.2177.3166.10000111.8I316 K323 M324 L325 V334 L338I316-V321 HydrophobicContact CG2-CG2 4.43Å; I316-V321 WeakPolarHBondContact O-CG2 3.42Å; I316-V321 PolarHBondContact O-N 2.86Å; V321-K323 PolarHBondContact O-N 3.09Å; V321-M324 HydrophobicContact CG2-SD 4.45Å; V321-M324 WeakPolarHBondContact O-CB 3.25Å; V321-M324 PolarHBondContact O-N 3.06Å; V321-L325 HydrophobicContact CG1-CD1 4.37Å; V321-L325 WeakPolarHBondContact O-CG 3.26Å; V321-L325 PolarHBondContact O-N 2.62Å; V321-V334 HydrophobicContact CG1-CG1 4.02Å; V321-V334 HydrophobicContact CG2-CG1 3.99Å; V321-L338 HydrophobicContact CG2-CD1 3.57Å
322P98.6Very high98.4Very high59 Ų5949.3 Ų49.338%0.38326%0.261SS..Hα-helixtrans-56.3-36.4172.4-28.736.6000113.8K318 T326K318-P322 WeakPolarHBondContact O-CG 3.49Å; P322-T326 WeakPolarHBondContact O-CB 3.41Å; P322-T326 PolarHBondContact O-N 3.28Å; P322-T326 PolarHBondContact O-OG1 2.93Å
323K98.4Very high98.4Very high61 Ų6150.8 Ų50.827%0.26527%0.268SS..Hα-helixtrans-68.5-42.7177-174.464.6169.5-160.10112.4S275 V278 N319 I320 V321 T326 R327S275-K323 WeakPolarHBondContact OG-CE 3.27Å; S275-K323 PolarHBondContact OG-NZ 2.94Å; V278-K323 HydrophobicContact CB-CG 4.45Å; V278-K323 HydrophobicContact CG1-CG 4.3Å; V278-K323 HydrophobicContact CG2-CB 4.49Å; V278-K323 HydrophobicContact CG2-CG 4.08Å; N319-K323 WeakPolarHBondContact O-CB 3.29Å; N319-K323 PolarHBondContact O-N 2.98Å; I320-K323 CarbonylContact O-C 3.57Å; I320-K323 WeakPolarHBondContact O-CA 3.09Å; I320-K323 VanDerWaalsContact O-CB 3.31Å; I320-K323 WeakPolarHBondContact O-CB 3.45Å; I320-K323 PolarHBondContact O-N 3.01Å; V321-K323 PolarHBondContact O-N 3.09Å; K323-T326 PolarHBondContact O-N 3.23Å; K323-R327 WeakPolarHBondContact O-CB 3.46Å; K323-R327 VanDerWaalsContact O-CG 3.31Å; K323-R327 WeakPolarHBondContact O-CG 3.45Å; K323-R327 PolarHBondContact O-N 3.1Å
324M98.7Very high98.4Very high0 Ų050.8 Ų50.80%027%0.269CS..Hα-helixtrans-55.9-50.4174.3-72169.1162.100110.3V278 L281 V295 I320 V321 T326 R327 G328 I329 V334V278-M324 HydrophobicContact CG1-CG 4.2Å; V278-M324 HydrophobicContact CG2-CG 4.15Å; L281-M324 HydrophobicContact CD1-CE 3.35Å; V295-M324 HydrophobicContact CG1-CE 4.34Å; I320-M324 HydrophobicContact CG2-CE 3.74Å; I320-M324 HydrophobicContact CG2-CG 4.09Å; I320-M324 HydrophobicContact CG2-SD 4.09Å; I320-M324 WeakPolarHBondContact O-CG 3.41Å; I320-M324 PolarHBondContact O-N 3.48Å; V321-M324 HydrophobicContact CG2-SD 4.45Å; V321-M324 WeakPolarHBondContact O-CB 3.25Å; V321-M324 PolarHBondContact O-N 3.06Å; M324-T326 PolarHBondContact O-N 2.98Å; M324-R327 CarbonylContact O-C 3.54Å; M324-R327 WeakPolarHBondContact O-CA 3.44Å; M324-R327 PolarHBondContact O-N 3.35Å; M324-G328 PolarHBondContact O-N 2.86Å; M324-I329 HydrophobicContact CB-CB 4.08Å; M324-I329 HydrophobicContact CB-CD1 3.95Å; M324-I329 HydrophobicContact CB-CG1 4.49Å; M324-I329 HydrophobicContact CB-CG2 4.49Å; M324-I329 HydrophobicContact CG-CD1 3.93Å; M324-I329 WeakPolarHBondContact O-CB 3.28Å; M324-I329 PolarHBondContact O-N 3.24Å; M324-I329 VanDerWaalsContact O-N 3.09Å; M324-V334 HydrophobicContact CB-CG2 4.12Å; M324-V334 HydrophobicContact SD-CG2 4.19Å
325L98.7Very high98.4Very high72 Ų7252.8 Ų52.838%0.37728%0.279SS..Hα-helixtrans-59.7-46178-64.2175.4000111.9V321 R327 G328 I329 Q331 V334V321-L325 HydrophobicContact CG1-CD1 4.37Å; V321-L325 WeakPolarHBondContact O-CG 3.26Å; V321-L325 PolarHBondContact O-N 2.62Å; L325-R327 PolarHBondContact O-N 2.8Å; L325-G328 PolarHBondContact O-N 2.89Å; L325-I329 WeakPolarHBondContact CA-O 3.45Å; L325-I329 WeakPolarHBondContact CD2-O 3.35Å; L325-Q331 HydrophobicContact CD2-CB 4.38Å; L325-V334 HydrophobicContact CD2-CG2 4.12Å
326T97.5Very high98.4Very high107 Ų10752.8 Ų52.866%0.65628%0.279SS*.Hα-helixtrans-64.2-20.6177.2-55.20000112.7P322 K323 M324P322-T326 WeakPolarHBondContact O-CB 3.41Å; P322-T326 PolarHBondContact O-N 3.28Å; P322-T326 PolarHBondContact O-OG1 2.93Å; K323-T326 PolarHBondContact O-N 3.23Å; M324-T326 PolarHBondContact O-N 2.98Å
327R95.3Very high98.4Very high145 Ų14552.9 Ų52.955%0.54728%0.279SS..THydrogen-bonded Turntrans-97.17.9177-69.6-63.7-171.4-135.55113.7V278 K323 M324 L325V278-R327 HydrophobicContact CG1-CB 3.97Å; V278-R327 HydrophobicContact CG1-CG 3.96Å; K323-R327 WeakPolarHBondContact O-CB 3.46Å; K323-R327 VanDerWaalsContact O-CG 3.31Å; K323-R327 WeakPolarHBondContact O-CG 3.45Å; K323-R327 PolarHBondContact O-N 3.1Å; M324-R327 CarbonylContact O-C 3.54Å; M324-R327 WeakPolarHBondContact O-CA 3.44Å; M324-R327 PolarHBondContact O-N 3.35Å; L325-R327 PolarHBondContact O-N 2.8Å
328G97Very high98.4Very high58 Ų5852 Ų5260%0.59827%0.274SS*.THydrogen-bonded Turntrans87.46.2173.400000114.9M324 L325 T330M324-G328 PolarHBondContact O-N 2.86Å; L325-G328 PolarHBondContact O-N 2.89Å; G328-T330 PolarHBondContact O-N 2.77Å
329I98.5Very high98.4Very high2 Ų248.9 Ų48.91%0.0126%0.262CS..  trans-72.6117165.6-57.3174.1000106.5V278 L281 A282 M324 L325 Q333 V334V278-I329 HydrophobicContact CG1-CD1 4.28Å; L281-I329 HydrophobicContact CB-CD1 4.14Å; A282-I329 HydrophobicContact CB-CD1 4.1Å; A282-I329 HydrophobicContact CB-CG1 3.98Å; M324-I329 HydrophobicContact CB-CB 4.08Å; M324-I329 HydrophobicContact CB-CD1 3.95Å; M324-I329 HydrophobicContact CB-CG1 4.49Å; M324-I329 HydrophobicContact CB-CG2 4.49Å; M324-I329 HydrophobicContact CG-CD1 3.93Å; M324-I329 WeakPolarHBondContact O-CB 3.28Å; M324-I329 PolarHBondContact O-N 3.24Å; M324-I329 VanDerWaalsContact O-N 3.09Å; L325-I329 WeakPolarHBondContact CA-O 3.45Å; L325-I329 WeakPolarHBondContact CD2-O 3.35Å; I329-Q333 HydrophobicContact CG2-CB 3.63Å; I329-V334 HydrophobicContact CG2-CG2 3.96Å
330T98.7Very high98.4Very high70 Ų7047.6 Ų47.643%0.42926%0.256SS..  trans-69.3160-174.564.40000111.9G328 H332 Q333 V334G328-T330 PolarHBondContact O-N 2.77Å; T330-H332 PolarHBondContact O-N 3.34Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.74Å; T330-Q333 VanDerWaalsContact OG1-CD 3.28Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.28Å; T330-Q333 PolarHBondContact OG1-N 2.7Å; T330-Q333 PolarHBondContact OG1-OE1 3.14Å; T330-V334 PolarHBondContact O-N 3.37Å
331Q98.7Very high98.4Very high78 Ų7847.3 Ų47.336%0.36425%0.254SS..Hα-helixtrans-56.5-40175.7-175.258.852.500112.1L325 Q333 V334 D335L325-Q331 HydrophobicContact CD2-CB 4.38Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.12Å; Q331-V334 WeakPolarHBondContact O-CB 3.43Å; Q331-V334 PolarHBondContact O-N 3.39Å; Q331-D335 PolarHBondContact NE2-OD1 3.43Å; Q331-D335 PolarHBondContact NE2-OD2 3.22Å; Q331-D335 PolarHBondContact O-N 3.3Å
332H98.7Very high98.4Very high107 Ų10746.3 Ų46.350%0.49525%0.248SC..Hα-helixtrans-58.9-41.6175.1170.5-104.4000112.4T330 D335 K336T330-H332 PolarHBondContact O-N 3.34Å; H332-D335 PolarHBondContact O-N 3.21Å; H332-K336 VanDerWaalsContact CE1-CE 3.46Å; H332-K336 WeakPolarHBondContact CE1-CE 3.38Å; H332-K336 PolarHBondContact O-N 2.8Å
333Q98.8Very high98.5Very high31 Ų3146.4 Ų46.415%0.14524%0.243CC..Hα-helixtrans-69.4-38176.5-74.9159.8-27.100112.3V285 E290 I329 T330 Q331 D335 K336 I337V285-Q333 HydrophobicContact CG1-CG 4.02Å; E290-Q333 VanDerWaalsContact OE2-CG 3.26Å; E290-Q333 WeakPolarHBondContact OE2-CG 3.45Å; E290-Q333 PolarHBondContact OE2-NE2 3.04Å; I329-Q333 HydrophobicContact CG2-CB 3.63Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.74Å; T330-Q333 VanDerWaalsContact OG1-CD 3.28Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.28Å; T330-Q333 PolarHBondContact OG1-N 2.7Å; T330-Q333 PolarHBondContact OG1-OE1 3.14Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.12Å; Q333-D335 VanDerWaalsContact C-N 3.31Å; Q333-K336 WeakPolarHBondContact O-CB 3.28Å; Q333-K336 PolarHBondContact O-N 3Å; Q333-I337 VanDerWaalsContact O-CG1 3.31Å; Q333-I337 WeakPolarHBondContact O-CG1 3.48Å; Q333-I337 PolarHBondContact O-N 2.79Å
334V98.9Very high98.5Very high1 Ų148.9 Ų48.91%0.00625%0.25CS..Hα-helixtrans-61.1-43171.91720000110.8V321 M324 L325 I329 T330 Q331 K336 I337 L338V321-V334 HydrophobicContact CG1-CG1 4.02Å; V321-V334 HydrophobicContact CG2-CG1 3.99Å; M324-V334 HydrophobicContact CB-CG2 4.12Å; M324-V334 HydrophobicContact SD-CG2 4.19Å; L325-V334 HydrophobicContact CD2-CG2 4.12Å; I329-V334 HydrophobicContact CG2-CG2 3.96Å; T330-V334 PolarHBondContact O-N 3.37Å; Q331-V334 WeakPolarHBondContact O-CB 3.43Å; Q331-V334 PolarHBondContact O-N 3.39Å; V334-K336 VanDerWaalsContact C-N 3.35Å; V334-I337 PolarHBondContact O-N 3.46Å; V334-L338 HydrophobicContact CG1-CD1 3.77Å; V334-L338 HydrophobicContact CG1-CG 4.46Å; V334-L338 WeakPolarHBondContact O-CB 3.31Å; V334-L338 PolarHBondContact O-N 3.2Å
335D98.8Very high98.5Very high46 Ų4648.9 Ų48.925%0.24625%0.25CS..Hα-helixtrans-67.1-36.3178.3-66.1-25000111.3Q331 H332 Q333 L338 I339 D340Q331-D335 PolarHBondContact NE2-OD1 3.43Å; Q331-D335 PolarHBondContact NE2-OD2 3.22Å; Q331-D335 PolarHBondContact O-N 3.3Å; H332-D335 PolarHBondContact O-N 3.21Å; Q333-D335 VanDerWaalsContact C-N 3.31Å; D335-L338 PolarHBondContact O-N 3.18Å; D335-I339 HydrophobicContact CB-CD1 4.43Å; D335-I339 WeakPolarHBondContact O-CA 3.39Å; D335-I339 VanDerWaalsContact O-CB 3.24Å; D335-I339 WeakPolarHBondContact O-CB 3.48Å; D335-I339 PolarHBondContact O-N 2.9Å; D335-D340 PolarHBondContact O-N 3.39Å; D335-D340 VanDerWaalsContact O-N 3.13Å
336K98.8Very high98.5Very high24 Ų2445.5 Ų45.510%0.10423%0.232CC..Iπ-helixtrans-56.6-52169.1-79.3-170.5167.7-172.30111.8E290 D291 H332 Q333 V334 L338 D340 N341E290-K336 HydrophobicContact CB-CD 4.42Å; E290-K336 HydrophobicContact CG-CD 4.02Å; E290-K336 IonicContact OE1-NZ 3.37Å; E290-K336 PolarHBondContact OE1-NZ 3.37Å; D291-K336 IonicContact OD1-NZ 3.96Å; D291-K336 PolarHBondContact OD1-NZ 3.1Å; D291-K336 IonicContact OD2-NZ 3.19Å; D291-K336 PolarHBondContact OD2-NZ 3.06Å; H332-K336 VanDerWaalsContact CE1-CE 3.46Å; H332-K336 WeakPolarHBondContact CE1-CE 3.38Å; H332-K336 PolarHBondContact O-N 2.8Å; Q333-K336 WeakPolarHBondContact O-CB 3.28Å; Q333-K336 PolarHBondContact O-N 3Å; V334-K336 VanDerWaalsContact C-N 3.35Å; K336-L338 PolarHBondContact O-N 3.21Å; K336-D340 PolarHBondContact O-N 3.03Å; K336-N341 VanDerWaalsContact O-CB 3.23Å; K336-N341 WeakPolarHBondContact O-CB 3.35Å; K336-N341 PolarHBondContact O-N 3.05Å; K336-N341 PolarHBondContact O-ND2 3.43Å
337I98.9Very high98.5Very high2 Ų241.7 Ų41.71%0.0121%0.209CC..Iπ-helixtrans-62.6-41.8-177-68.5167.3000111.8V293 V295 Q333 V334 P342V293-I337 HydrophobicContact CB-CG1 4.11Å; V293-I337 HydrophobicContact CG1-CD1 3.98Å; V293-I337 HydrophobicContact CG1-CG1 3.86Å; V293-I337 HydrophobicContact CG1-CG2 4.27Å; V295-I337 HydrophobicContact CB-CG2 4.29Å; V295-I337 HydrophobicContact CG1-CG2 3.73Å; V295-I337 HydrophobicContact CG2-CG2 3.64Å; Q333-I337 VanDerWaalsContact O-CG1 3.31Å; Q333-I337 WeakPolarHBondContact O-CG1 3.48Å; Q333-I337 PolarHBondContact O-N 2.79Å; V334-I337 PolarHBondContact O-N 3.46Å; I337-P342 VanDerWaalsContact O-CD 3.29Å; I337-P342 WeakPolarHBondContact O-CD 3.36Å; I337-P342 WeakPolarHBondContact O-CG 3.39Å
338L98.9Very high98.7Very high0 Ų034.9 Ų34.90%018%0.184CC..Iπ-helixtrans-96.2-18.8-171.4-66.8177.4000114.6R22 T23 M24 V295 I316 L317 V321 V334 D335 K336R22-L338 CarbonylContact C-O 3.51Å; R22-L338 VanDerWaalsContact CA-O 3.3Å; R22-L338 WeakPolarHBondContact CA-O 3.15Å; R22-L338 HydrophobicContact CG-CB 4.37Å; T23-L338 PolarHBondContact N-O 3.04Å; M24-L338 HydrophobicContact CE-CD2 3.63Å; V295-L338 HydrophobicContact CG2-CD2 3.62Å; I316-L338 HydrophobicContact CG2-CD2 4.04Å; L317-L338 HydrophobicContact CD2-CD1 3.97Å; V321-L338 HydrophobicContact CG2-CD1 3.57Å; V334-L338 HydrophobicContact CG1-CD1 3.77Å; V334-L338 HydrophobicContact CG1-CG 4.46Å; V334-L338 WeakPolarHBondContact O-CB 3.31Å; V334-L338 PolarHBondContact O-N 3.2Å; D335-L338 PolarHBondContact O-N 3.18Å; K336-L338 PolarHBondContact O-N 3.21Å
339I98.9Very high98.5Very high49 Ų4938.7 Ų38.725%0.25118%0.184SC..Iπ-helixtrans-127.1-63.1-172.6-54.6173.7000110.1R22 D335 K343R22-I339 HydrophobicContact CG-CD1 4.07Å; R22-I339 HydrophobicContact CG-CG1 3.9Å; D335-I339 HydrophobicContact CB-CD1 4.43Å; D335-I339 WeakPolarHBondContact O-CA 3.39Å; D335-I339 VanDerWaalsContact O-CB 3.24Å; D335-I339 WeakPolarHBondContact O-CB 3.48Å; D335-I339 PolarHBondContact O-N 2.9Å; I339-K343 WeakPolarHBondContact O-CB 3.23Å; I339-K343 PolarHBondContact O-N 3.49Å
340D98.9Very high98.5Very high61 Ų6140.5 Ų40.533%0.32619%0.192SC..Iπ-helixtrans-72-42.1-168-60.6-39.8000113.2D335 K336 K343 R344D335-D340 PolarHBondContact O-N 3.39Å; D335-D340 VanDerWaalsContact O-N 3.13Å; K336-D340 PolarHBondContact O-N 3.03Å; D340-K343 PolarHBondContact O-N 3.27Å; D340-R344 VanDerWaalsContact O-CB 3.24Å; D340-R344 WeakPolarHBondContact O-CB 3.44Å; D340-R344 PolarHBondContact O-N 2.79Å
341N98.9Very high98.5Very high0 Ų038.9 Ų38.90%018%0.18CC..Hα-helixtrans-66.5-51.3179-65.2-12.5000111.1Y250 E290 D291 V293 L294 K336 K343 R344 W345Y250-N341 HydrophobicContact CE1-CB 4.03Å; E290-N341 PolarHBondContact O-ND2 2.94Å; D291-N341 WeakPolarHBondContact CA-OD1 3.46Å; D291-N341 PolarHBondContact O-OD1 3.38Å; V293-N341 PolarHBondContact O-ND2 3.44Å; L294-N341 HydrophobicContact CD2-CB 3.59Å; K336-N341 VanDerWaalsContact O-CB 3.23Å; K336-N341 WeakPolarHBondContact O-CB 3.35Å; K336-N341 PolarHBondContact O-N 3.05Å; K336-N341 PolarHBondContact O-ND2 3.43Å; N341-K343 VanDerWaalsContact C-N 3.33Å; N341-K343 PolarHBondContact O-N 3.37Å; N341-R344 PolarHBondContact O-N 3.24Å; N341-W345 VanDerWaalsContact O-CB 3.31Å; N341-W345 WeakPolarHBondContact O-CB 3.43Å; N341-W345 PolarHBondContact O-N 3.11Å
342P98.9Very high98.5Very high0 Ų036.8 Ų36.80%017%0.17CC..Hα-helixtrans-57-45173.5-24.632.6000112.5T23 T25 L294 I337 R344 W345 L346T23-P342 HydrophobicContact CG2-CB 3.77Å; T23-P342 HydrophobicContact CG2-CG 4.45Å; T25-P342 HydrophobicContact CG2-CB 3.89Å; T25-P342 HydrophobicContact CG2-CG 3.83Å; L294-P342 HydrophobicContact CD2-CG 3.89Å; I337-P342 VanDerWaalsContact O-CD 3.29Å; I337-P342 WeakPolarHBondContact O-CD 3.36Å; I337-P342 WeakPolarHBondContact O-CG 3.39Å; P342-R344 PolarHBondContact O-N 3.11Å; P342-W345 PolarHBondContact O-N 2.99Å; P342-L346 HydrophobicContact CB-CD1 4.35Å; P342-L346 VanDerWaalsContact O-CB 3.22Å; P342-L346 WeakPolarHBondContact O-CB 3.4Å; P342-L346 WeakPolarHBondContact O-CD1 3.48Å; P342-L346 VanDerWaalsContact O-CG 3.25Å; P342-L346 WeakPolarHBondContact O-CG 3.46Å; P342-L346 PolarHBondContact O-N 2.91Å
343K98.8Very high98.5Very high61 Ų6132.6 Ų32.627%0.26515%0.15SC..Hα-helixtrans-56.6-50.4176.4175-175.3163.9-172.60111.7P17 D18 I339 D340 N341 T347P17-K343 HydrophobicContact CB-CD 4.29Å; P17-K343 HydrophobicContact CB-CG 3.65Å; D18-K343 VanDerWaalsContact OD1-CE 3.25Å; D18-K343 WeakPolarHBondContact OD1-CE 3.49Å; D18-K343 IonicContact OD1-NZ 2.81Å; D18-K343 PolarHBondContact OD1-NZ 3.03Å; I339-K343 WeakPolarHBondContact O-CB 3.23Å; I339-K343 PolarHBondContact O-N 3.49Å; D340-K343 PolarHBondContact O-N 3.27Å; N341-K343 VanDerWaalsContact C-N 3.33Å; N341-K343 PolarHBondContact O-N 3.37Å; K343-T347 WeakPolarHBondContact O-CB 3.42Å; K343-T347 PolarHBondContact O-N 2.98Å; K343-T347 PolarHBondContact O-OG1 3.43Å
344R98.8Very high98.4Very high113 Ų11332.8 Ų32.843%0.42615%0.151SC..Hα-helixtrans-63.6-42.1179.9-172.8-171.9-58.4143.6-3.7111.3K225 Y250 D291 D340 N341 P342K225-R344 PolarHBondContact NZ-O 3.07Å; Y250-R344 WeakPolarHBondContact OH-CD 3.44Å; D291-R344 PolarHBondContact O-NH1 3.39Å; D291-R344 IonicContact OD1-CZ 3.87Å; D291-R344 IonicContact OD1-NH1 3.84Å; D291-R344 PolarHBondContact OD1-NH1 3.39Å; D291-R344 IonicContact OD1-NH2 3.34Å; D291-R344 PolarHBondContact OD1-NH2 2.95Å; D340-R344 VanDerWaalsContact O-CB 3.24Å; D340-R344 WeakPolarHBondContact O-CB 3.44Å; D340-R344 PolarHBondContact O-N 2.79Å; N341-R344 PolarHBondContact O-N 3.24Å; P342-R344 PolarHBondContact O-N 3.11Å
345W98.8Very high98.4Very high0 Ų034.9 Ų34.90%016%0.16CC..Hα-helixtrans-64.9-54.6178.8169.250.8000111.4T25 V96 V166 P197 V198 I199 K225 V227 Y250 L294 N341 P342 T347T25-W345 HydrophobicContact CG2-CE3 4Å; T25-W345 HydrophobicContact CG2-CZ3 3.69Å; V96-W345 HydrophobicContact CG1-CH2 4.32Å; V96-W345 HydrophobicContact CG2-CZ3 4.13Å; V166-W345 HydrophobicContact CG2-CH2 4.25Å; V166-W345 HydrophobicContact CG2-CZ2 3.76Å; P197-W345 HydrophobicContact CB-CD2 4.29Å; P197-W345 HydrophobicContact CB-CG 4.32Å; P197-W345 HydrophobicContact CB-CZ2 4.12Å; P197-W345 VanDerWaalsContact CB-NE1 3.3Å; V198-W345 PolarHBondContact O-NE1 3.06Å; I199-W345 HydrophobicContact CB-CH2 4.24Å; I199-W345 HydrophobicContact CB-CZ2 3.88Å; I199-W345 HydrophobicContact CD1-CH2 4.04Å; I199-W345 HydrophobicContact CD1-CZ2 4.47Å; I199-W345 HydrophobicContact CG2-CZ2 4.37Å; K225-W345 PolarHBondContact NZ-O 3.08Å; K225-W345 PolarHBondContact O-NE1 3.06Å; V227-W345 HydrophobicContact CB-CZ2 4.22Å; V227-W345 HydrophobicContact CG2-CD2 3.61Å; V227-W345 HydrophobicContact CG2-CE3 4.14Å; V227-W345 HydrophobicContact CG2-CG 4.09Å; V227-W345 HydrophobicContact CG2-CH2 4Å; V227-W345 HydrophobicContact CG2-CZ2 3.47Å; V227-W345 VanDerWaalsContact CG2-CZ2 3.47Å; V227-W345 HydrophobicContact CG2-CZ3 4.31Å; Y250-W345 HydrophobicContact CD2-CB 4.39Å; Y250-W345 HydrophobicContact CD2-CG 4.39Å; Y250-W345 HydrophobicContact CE1-CB 4.39Å; Y250-W345 HydrophobicContact CE2-CB 3.85Å; Y250-W345 HydrophobicContact CE2-CG 4.23Å; L294-W345 HydrophobicContact CD1-CD2 4.2Å; L294-W345 HydrophobicContact CD1-CE3 3.88Å; L294-W345 HydrophobicContact CD1-CZ3 4.33Å; N341-W345 VanDerWaalsContact O-CB 3.31Å; N341-W345 WeakPolarHBondContact O-CB 3.43Å; N341-W345 PolarHBondContact O-N 3.11Å; P342-W345 PolarHBondContact O-N 2.99Å; W345-T347 VanDerWaalsContact C-N 3.3Å; W345-T347 PolarHBondContact O-N 2.98Å
346L98.8Very high98.4Very high0 Ų034.1 Ų34.10%015%0.154CC..Hα-helixtrans-70.5-19-172.4-69.9167.9000115V8 L20 T23 V96 I122 P197 P342 F348V8-L346 HydrophobicContact CG1-CB 4.19Å; V8-L346 HydrophobicContact CG2-CB 4.29Å; L20-L346 HydrophobicContact CD1-CB 4.24Å; L20-L346 HydrophobicContact CD1-CD1 3.78Å; T23-L346 HydrophobicContact CG2-CD1 4.02Å; V96-L346 HydrophobicContact CG2-CD1 3.96Å; V96-L346 HydrophobicContact CG2-CD2 3.95Å; I122-L346 HydrophobicContact CD1-CD1 3.64Å; I122-L346 HydrophobicContact CD1-CD2 3.99Å; I122-L346 HydrophobicContact CD1-CG 4.28Å; P197-L346 HydrophobicContact CB-CD2 4.45Å; P197-L346 HydrophobicContact CG-CD2 4.21Å; P342-L346 HydrophobicContact CB-CD1 4.35Å; P342-L346 VanDerWaalsContact O-CB 3.22Å; P342-L346 WeakPolarHBondContact O-CB 3.4Å; P342-L346 WeakPolarHBondContact O-CD1 3.48Å; P342-L346 VanDerWaalsContact O-CG 3.25Å; P342-L346 WeakPolarHBondContact O-CG 3.46Å; P342-L346 PolarHBondContact O-N 2.91Å; L346-F348 PolarHBondContact O-N 3.21Å
347T98.7Very high98.3Very high28 Ų2834.8 Ų34.817%0.17216%0.158CC..SBendtrans-70.9121.9178.6-59.20000110.9P17 K225 K343 W345P17-T347 WeakPolarHBondContact CB-OG1 3.35Å; P17-T347 HydrophobicContact CG-CG2 3.84Å; P17-T347 VanDerWaalsContact CG-OG1 3.26Å; P17-T347 WeakPolarHBondContact CG-OG1 3.48Å; K225-T347 PolarHBondContact NZ-O 3.32Å; K343-T347 WeakPolarHBondContact O-CB 3.42Å; K343-T347 PolarHBondContact O-N 2.98Å; K343-T347 PolarHBondContact O-OG1 3.43Å; W345-T347 VanDerWaalsContact C-N 3.3Å; W345-T347 PolarHBondContact O-N 2.98Å
348F97.9Very high98.3Very high2 Ų237.6 Ų37.61%0.00917%0.17CC..  trans-65.1140.5176.2-79.1-116.5000111.1L4 G6 K7 Q9 V153 G165 C196 P197 L346L4-F348 HydrophobicContact CB-CB 4.06Å; L4-F348 HydrophobicContact CB-CD1 3.77Å; L4-F348 HydrophobicContact CB-CE1 4.38Å; L4-F348 HydrophobicContact CB-CG 3.95Å; L4-F348 HydrophobicContact CD1-CD1 3.83Å; L4-F348 HydrophobicContact CD1-CE1 3.65Å; L4-F348 HydrophobicContact CD1-CZ 4.4Å; L4-F348 HydrophobicContact CG-CD1 4.38Å; L4-F348 WeakPolarHBondContact O-CB 3.42Å; G6-F348 PolarHBondContact N-O 3.34Å; K7-F348 PolarHBondContact O-N 2.91Å; Q9-F348 HydrophobicContact CB-CE2 4.31Å; V153-F348 HydrophobicContact CG1-CE1 3.72Å; V153-F348 HydrophobicContact CG1-CZ 3.85Å; G165-F348 VanDerWaalsContact O-CE2 3.26Å; G165-F348 WeakPolarHBondContact O-CE2 3.12Å; C196-F348 HydrophobicContact CB-CD1 3.73Å; C196-F348 HydrophobicContact CB-CE1 3.24Å; C196-F348 HydrophobicContact CB-CE2 4.47Å; C196-F348 HydrophobicContact CB-CZ 3.66Å; P197-F348 HydrophobicContact CG-CE2 4.48Å; L346-F348 PolarHBondContact O-N 3.21Å
349K93.5Very high98.3Very high137 Ų13741 Ų4160%0.59619%0.186SC*.  trans-73.10175.9-71.2-175.9173.9178.40112S5 G195 D222 K225S5-K349 PolarHBondContact OG-OXT 3.22Å; G195-K349 PolarHBondContact O-N 3.44Å; D222-K349 IonicContact OD2-NZ 2.73Å; D222-K349 PolarHBondContact OD2-NZ 3.03Å; K225-K349 VanDerWaalsContact CE-CE 3.47Å; K225-K349 HydrophobicContact CG-CD 4.3Å

Retrieved 349 of 349 residues in 536.3 ms (Link to these results)

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