A0A3Q0KK85_SCHMA Loading...

TBCC domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KK85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 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
1M35.3Very low60.4Low246 Ų24696.7 Ų96.7100%1.21256%0.564SS**  0124.80-71.216017400107.7
2G32.9Very low63.3Low79 Ų7989 Ų8981%0.81452%0.518SS*.PPolyproline II helixtrans-71.3139.2174.500000110.4A4G2-A4 PolarHBondContact O-N 2.92Å
3K32.1Very low65.7Low209 Ų20982.2 Ų82.291%0.90948%0.479SS*.PPolyproline II helixtrans-66125.1167.7-71.8-178.1176.3-1790107.7S5K3-S5 PolarHBondContact O-N 3.21Å
4A38.2Very low67.8Low81 Ų8177.2 Ų77.267%0.66945%0.448SS*.PPolyproline II helixtrans-60.5127.9164.800000108.1G2 H6G2-A4 PolarHBondContact O-N 2.92Å; A4-H6 PolarHBondContact O-CD2 3.21Å; A4-H6 PolarHBondContact O-N 3.35Å
5S45.4Very low69.4Low110 Ų11073.2 Ų73.277%0.76943%0.427SS*.  trans-67.4101.1172.951.90000108.5K3 V7K3-S5 PolarHBondContact O-N 3.21Å; S5-V7 PolarHBondContact O-N 3.06Å; S5-V7 VanDerWaalsContact O-N 3.16Å
6H58.3Low70.9Confident173 Ų17369.3 Ų69.380%0.80140%0.403SS*.  trans-59.4117.4170.7-77.6-101.9000108.7A4 T8A4-H6 PolarHBondContact O-CD2 3.21Å; A4-H6 PolarHBondContact O-N 3.35Å; H6-T8 PolarHBondContact O-N 3.41Å
7V63.1Low72.2Confident62 Ų6265.3 Ų65.338%0.37638%0.381SS..  trans-70.6113.6176.3179.60000108.3S5 L9 A221 I239S5-V7 PolarHBondContact O-N 3.06Å; S5-V7 VanDerWaalsContact O-N 3.16Å; V7-L9 PolarHBondContact O-N 3.1Å; V7-A221 HydrophobicContact CG1-CB 4.07Å; V7-I239 HydrophobicContact CG1-CD1 4.14Å
8T81Confident73.4Confident64 Ų6461.7 Ų61.739%0.39336%0.359SS..BIsolated β-bridgetrans-84.667.6179.436.30000110.3H6 E223H6-T8 PolarHBondContact O-N 3.41Å; T8-E223 HydrophobicContact CG2-CG 4.46Å; T8-E223 VanDerWaalsContact OG1-CG 3.25Å; T8-E223 WeakPolarHBondContact OG1-CG 3.44Å
9L90.6Very high74.4Confident12 Ų1258.5 Ų58.56%0.06334%0.341CS..  trans-66.4142.5174.5-179.765.3000111.1V7 L11 S220 L233 I239 W260 W264V7-L9 PolarHBondContact O-N 3.1Å; L9-L11 HydrophobicContact CD1-CD2 4.2Å; L9-S220 CarbonylContact C-O 3.54Å; L9-S220 WeakPolarHBondContact CA-O 3.39Å; L9-L233 HydrophobicContact CD1-CB 4.42Å; L9-L233 HydrophobicContact CD1-CD1 4.19Å; L9-L233 HydrophobicContact CD1-CD2 3.95Å; L9-L233 HydrophobicContact CD1-CG 4.42Å; L9-I239 HydrophobicContact CD1-CD1 4.45Å; L9-I239 HydrophobicContact CD2-CD1 4.27Å; L9-I239 HydrophobicContact CD2-CG2 4.29Å; L9-W260 HydrophobicContact CD2-CZ2 3.48Å; L9-W260 VanDerWaalsContact CD2-CZ2 3.48Å; L9-W264 HydrophobicContact CB-CD2 4Å; L9-W264 HydrophobicContact CB-CE3 3.88Å; L9-W264 HydrophobicContact CB-CH2 4.37Å; L9-W264 HydrophobicContact CB-CZ2 4.5Å; L9-W264 HydrophobicContact CB-CZ3 4.07Å; L9-W264 HydrophobicContact CD2-CB 4.13Å; L9-W264 HydrophobicContact CD2-CD2 3.83Å; L9-W264 HydrophobicContact CD2-CG 3.6Å; L9-W264 HydrophobicContact CG-CB 4.3Å; L9-W264 HydrophobicContact CG-CD2 4.07Å; L9-W264 HydrophobicContact CG-CE3 4.32Å; L9-W264 HydrophobicContact CG-CG 4.06Å; L9-W264 WeakPolarHBondContact O-CZ3 3.49Å
10S93Very high75.4Confident28 Ų2855.9 Ų55.920%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-147.2141.4165.546.60000110G219 S220S10-G219 CarbonylContact O-C 3.6Å; S10-G219 WeakPolarHBondContact O-CA 3.47Å; S10-S220 PolarHBondContact N-O 2.7Å; S10-S220 PolarHBondContact O-N 2.84Å
11L95.1Very high76.2Confident0 Ų053.2 Ų53.20%031%0.31CS..EExtended strand (participates in β ladder)trans-126.1142179.7-59.4176.4000108.8L9 E218 F230 L233 W260 W264 L265 T266L9-L11 HydrophobicContact CD1-CD2 4.2Å; L11-E218 WeakPolarHBondContact CA-O 3.16Å; L11-F230 HydrophobicContact CD1-CD2 4.39Å; L11-F230 HydrophobicContact CD1-CE2 4.03Å; L11-F230 HydrophobicContact CD2-CD2 4.26Å; L11-L233 HydrophobicContact CD2-CB 4.49Å; L11-L233 HydrophobicContact CD2-CD1 3.5Å; L11-L233 VanDerWaalsContact CD2-CD1 3.5Å; L11-W260 HydrophobicContact CD1-CE3 4.44Å; L11-W260 HydrophobicContact CD1-CH2 4Å; L11-W260 HydrophobicContact CD1-CZ2 4.42Å; L11-W260 HydrophobicContact CD1-CZ3 4.02Å; L11-W264 HydrophobicContact CD1-CB 3.97Å; L11-W264 HydrophobicContact CG-CB 4.03Å; L11-W264 PolarHBondContact N-O 3.13Å; L11-L265 CarbonylContact O-C 3.57Å; L11-L265 WeakPolarHBondContact O-CA 3.42Å; L11-T266 PolarHBondContact O-N 3.43Å; L11-T266 PolarHBondContact O-OG1 3.39Å
12W94.9Very high78.9Confident4 Ų441.7 Ų41.72%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-147.9160.1178.857.478.2000113.8R14 E218 G219 L227 T266 N268 P269 F270W12-R14 PolarHBondContact O-N 3.46Å; W12-E218 HydrophobicContact CZ2-CG 4.1Å; W12-E218 PolarHBondContact N-O 2.68Å; W12-E218 PolarHBondContact NE1-OE1 2.89Å; W12-E218 PolarHBondContact O-N 3.12Å; W12-G219 VanDerWaalsContact CH2-C 3.45Å; W12-L227 HydrophobicContact CH2-CD2 4.17Å; W12-L227 HydrophobicContact CZ2-CD2 3.98Å; W12-T266 WeakPolarHBondContact CB-O 3.38Å; W12-N268 HydrophobicContact CB-CB 4.3Å; W12-N268 HydrophobicContact CG-CB 4.27Å; W12-P269 HydrophobicContact CD2-CG 3.99Å; W12-P269 HydrophobicContact CE3-CG 4.04Å; W12-P269 HydrophobicContact CH2-CG 4.17Å; W12-P269 HydrophobicContact CZ2-CG 4.12Å; W12-P269 HydrophobicContact CZ3-CG 4.12Å; W12-F270 HydrophobicContact CH2-CE2 4.45Å; W12-F270 HydrophobicContact CZ2-CD2 4.39Å; W12-F270 AromaticContact CZ2-CE2 3.79Å; W12-F270 HydrophobicContact CZ2-CE2 3.79Å
13P94.7Very high81.5Confident1 Ų138.3 Ų38.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-61.9128.8173.2-18.129000111.8A15 H175 F176 I179 V216 T266 N268P13-A15 PolarHBondContact O-N 2.98Å; P13-H175 HydrophobicContact CB-CB 3.96Å; P13-F176 HydrophobicContact CG-CB 3.99Å; P13-F176 HydrophobicContact CG-CD2 4.32Å; P13-I179 HydrophobicContact CB-CD1 3.75Å; P13-I179 HydrophobicContact CG-CD1 4.09Å; P13-V216 WeakPolarHBondContact CA-O 3.39Å; P13-T266 WeakPolarHBondContact CD-O 3.24Å; P13-N268 PolarHBondContact O-ND2 3.47Å
14R94.2Very high83.9Confident12 Ų1229 Ų295%0.04518%0.176CC..  trans-70.7124.7170.7-61.8-168.461.8-132.3-21.7110W12 P17 F18 D214 L215 V216 L217 E218 H328W12-R14 PolarHBondContact O-N 3.46Å; R14-P17 HydrophobicContact CB-CG 4.22Å; R14-P17 WeakPolarHBondContact O-CD 3.5Å; R14-F18 VanDerWaalsContact O-CD2 3.28Å; R14-F18 WeakPolarHBondContact O-CD2 3.27Å; R14-D214 WeakPolarHBondContact CD-O 3.45Å; R14-D214 PolarHBondContact NH1-O 3.01Å; R14-L215 PolarHBondContact NH1-O 3.11Å; R14-V216 PolarHBondContact N-O 3.31Å; R14-L217 WeakPolarHBondContact CD-O 3.3Å; R14-E218 WeakPolarHBondContact CD-OE2 3.41Å; R14-E218 HydrophobicContact CG-CB 3.88Å; R14-E218 HydrophobicContact CG-CG 3.74Å; R14-E218 WeakPolarHBondContact CG-OE2 3.28Å; R14-E218 IonicContact NE-OE2 3.68Å; R14-E218 PolarHBondContact NE-OE2 3.01Å; R14-H328 VanDerWaalsContact CZ-CB 3.42Å; R14-H328 VanDerWaalsContact CZ-CG 3.48Å; R14-H328 PolarHBondContact NE-CD2 2.9Å; R14-H328 VanDerWaalsContact NE-CD2 3.33Å; R14-H328 PolarHBondContact NH1-CD2 3.06Å
15A92.8Very high85.9Confident17 Ų1726.7 Ų26.714%0.1415%0.153CC..Hα-helixtrans-76.1-31.7-174.200000114.4P13 F18 A19 E172P13-A15 PolarHBondContact O-N 2.98Å; A15-F18 PolarHBondContact O-N 3.42Å; A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 3.18Å; A15-E172 HydrophobicContact CB-CG 3.88Å
16E92.5Very high87.5Confident10 Ų1025.7 Ų25.75%0.04714%0.136CC..Hα-helixtrans-60.4-49.4-173.7175.9173.2-125.900115F18 A19 Y20 R373 N392E16-F18 VanDerWaalsContact C-N 3.28Å; E16-F18 PolarHBondContact O-N 3.48Å; E16-A19 PolarHBondContact O-N 3.09Å; E16-Y20 HydrophobicContact CG-CD2 4.04Å; E16-Y20 PolarHBondContact O-N 2.79Å; E16-R373 IonicContact OE1-CZ 3.89Å; E16-R373 IonicContact OE1-NE 3.93Å; E16-R373 PolarHBondContact OE1-NE 3.47Å; E16-R373 IonicContact OE1-NH2 3.74Å; E16-R373 PolarHBondContact OE1-NH2 3.35Å; E16-R373 IonicContact OE2-CZ 2.7Å; E16-R373 IonicContact OE2-NE 3.81Å; E16-R373 IonicContact OE2-NH2 2.83Å; E16-R373 PolarHBondContact OE2-NH2 2.76Å; E16-N392 PolarHBondContact OE1-ND2 2.9Å
17P93.9Very high88.6Confident2 Ų217.9 Ų17.91%0.01310%0.101CC..Iπ-helixtrans-60.2-38.2-179.9-10.215.7000112.4R14 G21 I22 I127 L215R14-P17 HydrophobicContact CB-CG 4.22Å; R14-P17 WeakPolarHBondContact O-CD 3.5Å; P17-G21 CarbonylContact O-C 3.5Å; P17-G21 WeakPolarHBondContact O-CA 3.2Å; P17-G21 PolarHBondContact O-N 3.25Å; P17-I22 PolarHBondContact O-N 3.33Å; P17-I127 HydrophobicContact CB-CD1 3.99Å; P17-L215 HydrophobicContact CB-CD1 4.41Å; P17-L215 HydrophobicContact CG-CD1 4.43Å; P17-L215 WeakPolarHBondContact CG-O 3.46Å
18F93.5Very high89.6Confident0 Ų018.1 Ų18.10%010%0.098CC..Iπ-helixtrans-75.6-35.7-179.9-66-93.7000112.5R14 A15 E16 I22 I127 I130 N169 H175 F178 I179 V216R14-F18 VanDerWaalsContact O-CD2 3.28Å; R14-F18 WeakPolarHBondContact O-CD2 3.27Å; A15-F18 PolarHBondContact O-N 3.42Å; E16-F18 VanDerWaalsContact C-N 3.28Å; E16-F18 PolarHBondContact O-N 3.48Å; F18-I22 HydrophobicContact CB-CD1 4.04Å; F18-I22 HydrophobicContact CD1-CD1 3.52Å; F18-I22 HydrophobicContact CE1-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.06Å; F18-I127 HydrophobicContact CD1-CB 4.32Å; F18-I127 HydrophobicContact CE1-CB 3.8Å; F18-I127 HydrophobicContact CE1-CG2 3.69Å; F18-I127 HydrophobicContact CZ-CB 4.27Å; F18-I127 HydrophobicContact CZ-CG2 3.7Å; F18-I130 HydrophobicContact CD1-CD1 3.7Å; F18-I130 HydrophobicContact CE1-CD1 4.1Å; F18-N169 PolarHBondContact O-ND2 2.72Å; F18-H175 WeakPolarHBondContact CB-NE2 3.26Å; F18-H175 HydrophobicContact CD2-CB 4.42Å; F18-H175 HydrophobicContact CG-CB 4.39Å; F18-H175 AromaticContact CG-CD2 3.97Å; F18-H175 AromaticContact CG-CG 3.94Å; F18-F178 AromaticContact CE1-CD1 3.76Å; F18-F178 HydrophobicContact CE1-CD1 3.76Å; F18-F178 HydrophobicContact CE1-CE1 4.12Å; F18-F178 HydrophobicContact CZ-CD1 4.34Å; F18-I179 HydrophobicContact CE2-CD1 4.13Å; F18-I179 HydrophobicContact CZ-CD1 3.95Å; F18-I179 HydrophobicContact CZ-CG1 3.99Å; F18-V216 HydrophobicContact CE2-CB 4.39Å; F18-V216 HydrophobicContact CE2-CG1 4.23Å; F18-V216 HydrophobicContact CZ-CG1 4.29Å
19A92.2Very high89.7Confident2 Ų220 Ų202%0.01711%0.111CC..Iπ-helixtrans-76.1-39.417900000113.6A15 E16 Q395A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 3.18Å; E16-A19 PolarHBondContact O-N 3.09Å; A19-Q395 PolarHBondContact O-NE2 3.11Å
20Y93.9Very high89.6Confident5 Ų524.1 Ų24.12%0.0213%0.126CC..Iπ-helixtrans-119.5-21.5-169.6-58.5-73000114.8E16 T355 T376 T393 Q395 R410E16-Y20 HydrophobicContact CG-CD2 4.04Å; E16-Y20 PolarHBondContact O-N 2.79Å; Y20-T355 HydrophobicContact CE2-CG2 3.97Å; Y20-T355 WeakPolarHBondContact OH-CG2 3.29Å; Y20-T376 VanDerWaalsContact CE1-OG1 3.23Å; Y20-T376 WeakPolarHBondContact CE1-OG1 3.18Å; Y20-T376 PolarHBondContact OH-OG1 2.88Å; Y20-T393 HydrophobicContact CD1-CG2 3.81Å; Y20-T393 HydrophobicContact CG-CG2 4.49Å; Y20-Q395 HydrophobicContact CD1-CB 4.41Å; Y20-Q395 HydrophobicContact CE1-CB 4.25Å; Y20-R410 PolarHBondContact O-NH1 3.35Å; Y20-R410 PolarHBondContact O-NH2 2.84Å
21G92.8Very high89.3Confident0 Ų023.1 Ų23.10%012%0.118CC..Iπ-helixtrans-87.6-19.717600000114.3P17 F124 Q128P17-G21 CarbonylContact O-C 3.5Å; P17-G21 WeakPolarHBondContact O-CA 3.2Å; P17-G21 PolarHBondContact O-N 3.25Å; G21-F124 VanDerWaalsContact O-CE2 3.26Å; G21-F124 WeakPolarHBondContact O-CE2 3.37Å; G21-F124 WeakPolarHBondContact O-CZ 3.43Å; G21-Q128 PolarHBondContact O-NE2 3.4Å
22I91.4Very high89Confident5 Ų524.2 Ų24.23%0.02613%0.127CC..SBendtrans-98.1133.8-178.8-62176.4000111.2P17 F18 I127 I130 N169P17-I22 PolarHBondContact O-N 3.33Å; F18-I22 HydrophobicContact CB-CD1 4.04Å; F18-I22 HydrophobicContact CD1-CD1 3.52Å; F18-I22 HydrophobicContact CE1-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.06Å; I22-I127 HydrophobicContact CD1-CB 3.96Å; I22-I127 HydrophobicContact CD1-CD1 4.11Å; I22-I127 HydrophobicContact CD1-CG1 3.95Å; I22-I127 VanDerWaalsContact CD1-O 3.31Å; I22-I127 WeakPolarHBondContact CD1-O 3.39Å; I22-I127 HydrophobicContact CG1-CD1 4.13Å; I22-I127 HydrophobicContact CG1-CG1 4.05Å; I22-I130 HydrophobicContact CD1-CG2 3.54Å; I22-I130 HydrophobicContact CG2-CG2 3.94Å; I22-N169 HydrophobicContact CG2-CB 4.3Å
23F87.9Confident88.7Confident8 Ų825.9 Ų25.94%0.03514%0.138CC..  trans-82.7139.5174.5-58.9-61.5000111.6V25 V75 L76 T79 N131 I430 L511F23-V25 HydrophobicContact CB-CG2 3.94Å; F23-V25 PolarHBondContact O-N 3.39Å; F23-V75 HydrophobicContact CE1-CG1 4.28Å; F23-V75 HydrophobicContact CE2-CG1 3.94Å; F23-V75 HydrophobicContact CZ-CG1 3.46Å; F23-V75 VanDerWaalsContact CZ-CG1 3.46Å; F23-L76 HydrophobicContact CD2-CD2 4.32Å; F23-L76 HydrophobicContact CE2-CD2 3.97Å; F23-T79 HydrophobicContact CZ-CG2 4.49Å; F23-N131 PolarHBondContact O-ND2 3.38Å; F23-I430 HydrophobicContact CE1-CD1 3.58Å; F23-I430 HydrophobicContact CE1-CG2 4.45Å; F23-I430 HydrophobicContact CZ-CD1 4Å; F23-L511 HydrophobicContact CB-CD2 3.66Å; F23-L511 HydrophobicContact CD1-CD2 3.72Å; F23-L511 HydrophobicContact CD2-CD2 3.93Å; F23-L511 HydrophobicContact CE1-CD2 4.38Å; F23-L511 HydrophobicContact CG-CD2 3.47Å; F23-L511 VanDerWaalsContact CG-CD2 3.47Å
24Q82.4Confident88.5Confident13 Ų1331.3 Ų31.36%0.06116%0.163CC..SBendtrans-79.449.4179.1-64.9176.431.400112.1C167 N397 I432Q24-C167 HydrophobicContact CB-CB 4.47Å; Q24-C167 HydrophobicContact CG-CB 4.06Å; Q24-C167 PolarHBondContact OE1-SG 3.39Å; Q24-N397 PolarHBondContact NE2-OD1 3.14Å; Q24-N397 PolarHBondContact OE1-OD1 3.45Å; Q24-I432 HydrophobicContact CB-CD1 3.86Å
25V80.1Confident88.5Confident33 Ų3332.2 Ų32.220%0.217%0.169CC..SBendtrans-130.2161.3174.9-660000109.1F23 I432 L511F23-V25 HydrophobicContact CB-CG2 3.94Å; F23-V25 PolarHBondContact O-N 3.39Å; V25-I432 HydrophobicContact CG1-CG1 4.42Å; V25-I432 HydrophobicContact CG1-CG2 3.52Å; V25-L511 HydrophobicContact CG1-CG 4.35Å; V25-L511 HydrophobicContact CG2-CD2 4.31Å; V25-L511 HydrophobicContact CG2-CG 4.36Å
26H79.9Confident88.4Confident89 Ų8931.6 Ų31.641%0.41216%0.163SC..PPolyproline II helixtrans-62.1132.3165-168.8-75.1000108.8
27P81.5Confident88.4Confident9 Ų933.3 Ų33.36%0.05817%0.17CC..PPolyproline II helixtrans-59.1145.3177.526.6-37.7000110.9K132P27-K132 HydrophobicContact CG-CB 4.2Å
28H83.5Confident88.3Confident66 Ų6639.2 Ų39.231%0.30620%0.196SC..PPolyproline II helixtrans-56.5129.7178.4-178-110.9000110.2R30 L31 L66 L68H28-R30 PolarHBondContact O-N 3.36Å; H28-L31 HydrophobicContact CB-CD1 4.08Å; H28-L31 HydrophobicContact CB-CG 4.34Å; H28-L31 WeakPolarHBondContact O-CB 3.47Å; H28-L31 PolarHBondContact O-N 3.22Å; H28-L66 PolarHBondContact CE1-O 2.84Å; H28-L66 VanDerWaalsContact CE1-O 3.24Å; H28-L68 HydrophobicContact CB-CD2 3.85Å; H28-L68 WeakPolarHBondContact ND1-CD2 3.47Å
29P83.1Confident88.2Confident103 Ų10339.3 Ų39.367%0.66920%0.196SC*.G310 helixtrans-55.8-25.7-169.1-30.636.6000115.5
30R88.2Confident88.1Confident99 Ų9939.4 Ų39.437%0.37420%0.196SC..G310 helixtrans-80.2-11.5177.6-58.2-164.4-171.1177.513.2114.9H28 A32 N35 L66H28-R30 PolarHBondContact O-N 3.36Å; R30-A32 PolarHBondContact O-N 3.18Å; R30-A32 VanDerWaalsContact O-N 3.08Å; R30-N35 WeakPolarHBondContact O-CB 3.43Å; R30-N35 PolarHBondContact O-ND2 3.14Å; R30-L66 HydrophobicContact CB-CB 4.41Å; R30-L66 HydrophobicContact CB-CD2 4.43Å; R30-L66 WeakPolarHBondContact CD-O 3.35Å
31L87.1Confident87.8Confident7 Ų742.1 Ų42.14%0.03721%0.214CC..G310 helixtrans-74.820.3169.5-68.4171000112.8H28 I36 W58 L66 L68 L76 L125 Q129H28-L31 HydrophobicContact CB-CD1 4.08Å; H28-L31 HydrophobicContact CB-CG 4.34Å; H28-L31 WeakPolarHBondContact O-CB 3.47Å; H28-L31 PolarHBondContact O-N 3.22Å; L31-I36 WeakPolarHBondContact O-CD1 3.34Å; L31-W58 HydrophobicContact CD2-CH2 4.26Å; L31-L66 HydrophobicContact CD2-CD1 4.05Å; L31-L68 HydrophobicContact CD2-CD1 4.31Å; L31-L76 HydrophobicContact CD1-CD1 4.41Å; L31-L125 HydrophobicContact CD2-CD1 4.38Å; L31-L125 HydrophobicContact CD2-CD2 4.17Å; L31-Q129 PolarHBondContact O-NE2 3.4Å
32A88Confident87.7Confident23 Ų2345.2 Ų45.219%0.1923%0.226CC..  trans-62150.2174.100000112.2R30 H34 N35 I36R30-A32 PolarHBondContact O-N 3.18Å; R30-A32 VanDerWaalsContact O-N 3.08Å; A32-H34 VanDerWaalsContact C-N 3.27Å; A32-H34 PolarHBondContact O-N 3.42Å; A32-H34 VanDerWaalsContact O-N 3.09Å; A32-N35 PolarHBondContact O-N 3.3Å; A32-I36 PolarHBondContact O-N 2.61Å
33V89.5Confident87.6Confident40 Ų4045.1 Ų45.124%0.24223%0.226CC..Hα-helixtrans-43-47.8-177-168.80000113.1N35 I36 K37 Y126 L189V33-N35 VanDerWaalsContact C-N 3.25Å; V33-N35 PolarHBondContact O-N 2.78Å; V33-I36 PolarHBondContact O-N 2.78Å; V33-I36 VanDerWaalsContact O-N 3.13Å; V33-K37 PolarHBondContact O-N 3.06Å; V33-Y126 HydrophobicContact CG1-CE2 4.25Å; V33-Y126 HydrophobicContact CG2-CD2 4.36Å; V33-Y126 HydrophobicContact CG2-CE2 3.75Å; V33-L189 HydrophobicContact CG1-CD1 4.11Å; V33-L189 HydrophobicContact CG1-CD2 3.92Å; V33-L189 HydrophobicContact CG1-CG 4.08Å
34H90.5Very high87.5Confident114 Ų11446.7 Ų46.753%0.52823%0.233SC..Hα-helixtrans-64.3-23.5-179.169.2-104.3000114.5A32 K38A32-H34 VanDerWaalsContact C-N 3.27Å; A32-H34 PolarHBondContact O-N 3.42Å; A32-H34 VanDerWaalsContact O-N 3.09Å; H34-K38 VanDerWaalsContact O-CG 3.3Å; H34-K38 WeakPolarHBondContact O-CG 3.39Å; H34-K38 PolarHBondContact O-N 2.9Å
35N92.7Very high87.6Confident32 Ų3250.8 Ų50.817%0.17126%0.259CS..Hα-helixtrans-90.1-29.5174.3-72.2-29.5000111.9R30 A32 V33 K38 L39 L66R30-N35 WeakPolarHBondContact O-CB 3.43Å; R30-N35 PolarHBondContact O-ND2 3.14Å; A32-N35 PolarHBondContact O-N 3.3Å; V33-N35 VanDerWaalsContact C-N 3.25Å; V33-N35 PolarHBondContact O-N 2.78Å; N35-K38 PolarHBondContact O-N 3.25Å; N35-K38 PolarHBondContact OD1-NZ 3.21Å; N35-L39 PolarHBondContact O-N 3.5Å; N35-L39 VanDerWaalsContact O-N 3.09Å; N35-L66 HydrophobicContact CB-CD2 3.87Å
36I92.6Very high87.8Confident3 Ų355.6 Ų55.62%0.01528%0.277CS..Hα-helixtrans-64.1-43168.8-58.5178000109.5L31 A32 V33 K38 L39 V40 V122 L125 L189L31-I36 WeakPolarHBondContact O-CD1 3.34Å; A32-I36 PolarHBondContact O-N 2.61Å; V33-I36 PolarHBondContact O-N 2.78Å; V33-I36 VanDerWaalsContact O-N 3.13Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 3.26Å; I36-L39 VanDerWaalsContact O-CB 3.3Å; I36-L39 WeakPolarHBondContact O-CB 3.32Å; I36-L39 PolarHBondContact O-N 3.24Å; I36-V40 PolarHBondContact O-N 2.84Å; I36-V122 HydrophobicContact CG2-CB 4.16Å; I36-V122 HydrophobicContact CG2-CG1 3.72Å; I36-V122 HydrophobicContact CG2-CG2 3.98Å; I36-L125 HydrophobicContact CD1-CB 3.96Å; I36-L125 HydrophobicContact CG1-CB 4.45Å; I36-L189 HydrophobicContact CB-CD2 4.18Å; I36-L189 HydrophobicContact CG2-CD1 4.3Å; I36-L189 HydrophobicContact CG2-CD2 4.09Å
37K91.1Very high87.4Confident47 Ų4753.2 Ų53.220%0.20427%0.27CS..Hα-helixtrans-61.3-38.3174.8-151.8169.2-168.6174.70112.5V33 L39 V40 T41 D188 L189V33-K37 PolarHBondContact O-N 3.06Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.29Å; K37-V40 WeakPolarHBondContact O-CB 3.43Å; K37-V40 PolarHBondContact O-N 2.94Å; K37-T41 PolarHBondContact O-N 3.42Å; K37-T41 PolarHBondContact O-OG1 3.23Å; K37-D188 WeakPolarHBondContact CE-O 3.38Å; K37-D188 PolarHBondContact NZ-O 3.13Å; K37-D188 IonicContact NZ-OD1 2.82Å; K37-D188 PolarHBondContact NZ-OD1 2.87Å; K37-D188 IonicContact NZ-OD2 3.71Å; K37-D188 PolarHBondContact NZ-OD2 3.26Å; K37-L189 HydrophobicContact CB-CD2 3.8Å; K37-L189 HydrophobicContact CG-CD2 4.23Å
38K91.5Very high86.4Confident125 Ų12562.4 Ų62.454%0.54331%0.309SS..Hα-helixtrans-64.5-29172.6-71.2169.5-168.6170.90113.6H34 N35 I36 V40 T41 Y42H34-K38 VanDerWaalsContact O-CG 3.3Å; H34-K38 WeakPolarHBondContact O-CG 3.39Å; H34-K38 PolarHBondContact O-N 2.9Å; N35-K38 PolarHBondContact O-N 3.25Å; N35-K38 PolarHBondContact OD1-NZ 3.21Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 3.26Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-T41 PolarHBondContact O-N 3.48Å; K38-Y42 WeakPolarHBondContact O-CB 3.3Å; K38-Y42 PolarHBondContact O-N 2.9Å
39L91.6Very high85.1Confident3 Ų366.6 Ų66.62%0.01633%0.333CS..Hα-helixtrans-64.5-39.2173.7175.164.9000111N35 I36 K37 Y42 A43 L53 W58 V61 F121 V122 L125N35-L39 PolarHBondContact O-N 3.5Å; N35-L39 VanDerWaalsContact O-N 3.09Å; I36-L39 VanDerWaalsContact O-CB 3.3Å; I36-L39 WeakPolarHBondContact O-CB 3.32Å; I36-L39 PolarHBondContact O-N 3.24Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.29Å; L39-Y42 PolarHBondContact O-N 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 3.04Å; L39-L53 HydrophobicContact CD2-CD2 4.4Å; L39-W58 HydrophobicContact CD1-CE3 4.2Å; L39-W58 HydrophobicContact CD2-CE3 4.01Å; L39-W58 HydrophobicContact CD2-CZ3 3.92Å; L39-V61 HydrophobicContact CD1-CB 4.18Å; L39-V61 HydrophobicContact CD1-CG1 4.09Å; L39-V61 HydrophobicContact CD1-CG2 4.02Å; L39-F121 HydrophobicContact CD2-CD1 4.2Å; L39-F121 HydrophobicContact CD2-CE1 4.3Å; L39-V122 HydrophobicContact CD2-CG2 4.4Å; L39-L125 HydrophobicContact CD2-CD1 3.94Å
40V90.7Very high84.2Confident3 Ų364 Ų642%0.01832%0.324CS..Hα-helixtrans-58.3-52.1175.1-178.40000110.4I36 K37 K38 Y42 A43 K44 L118 F119 V122I36-V40 PolarHBondContact O-N 2.84Å; K37-V40 WeakPolarHBondContact O-CB 3.43Å; K37-V40 PolarHBondContact O-N 2.94Å; K38-V40 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.3Å; V40-A43 PolarHBondContact O-N 3Å; V40-K44 HydrophobicContact CG1-CG 4.48Å; V40-K44 WeakPolarHBondContact O-CG 3.22Å; V40-K44 PolarHBondContact O-N 3.49Å; V40-L118 HydrophobicContact CG1-CD2 4.46Å; V40-F119 HydrophobicContact CG1-CE1 4.16Å; V40-V122 HydrophobicContact CG2-CG1 4.42Å; V40-V122 HydrophobicContact CG2-CG2 3.79Å
41T88.5Confident83.8Confident63 Ų6360.6 Ų60.639%0.38732%0.316SS..Hα-helixtrans-60.4-43.4179-40.20000112.2K37 K38 T45K37-T41 PolarHBondContact O-N 3.42Å; K37-T41 PolarHBondContact O-OG1 3.23Å; K38-T41 PolarHBondContact O-N 3.48Å; T41-T45 WeakPolarHBondContact O-CB 3.34Å; T41-T45 WeakPolarHBondContact O-CG2 3.37Å; T41-T45 PolarHBondContact O-N 2.97Å; T41-T45 PolarHBondContact O-OG1 3Å
42Y89.8Confident83.9Confident65 Ų6567.1 Ų67.126%0.25534%0.34SS..Hα-helixtrans-68.3-38178.8-174.3-99.7000112.5K38 L39 V40 T45 K46 V57 H60 V61K38-Y42 WeakPolarHBondContact O-CB 3.3Å; K38-Y42 PolarHBondContact O-N 2.9Å; L39-Y42 PolarHBondContact O-N 3.26Å; V40-Y42 PolarHBondContact O-N 3.3Å; Y42-T45 WeakPolarHBondContact CA-OG1 3.3Å; Y42-T45 PolarHBondContact O-OG1 3.21Å; Y42-T45 VanDerWaalsContact O-OG1 3.1Å; Y42-K46 HydrophobicContact CE1-CG 4.1Å; Y42-K46 HydrophobicContact CE2-CG 4.38Å; Y42-K46 WeakPolarHBondContact O-CB 3.5Å; Y42-K46 WeakPolarHBondContact O-CG 3.39Å; Y42-K46 PolarHBondContact O-N 3.39Å; Y42-K46 WeakPolarHBondContact OH-CE 3.46Å; Y42-V57 HydrophobicContact CD1-CG1 4.12Å; Y42-V57 HydrophobicContact CE1-CG1 4Å; Y42-H60 AromaticContact CZ-CD2 3.98Å; Y42-H60 PolarHBondContact OH-CD2 3.03Å; Y42-V61 HydrophobicContact CD1-CG2 3.28Å; Y42-V61 HydrophobicContact CE1-CG2 3.51Å; Y42-V61 HydrophobicContact CG-CG2 4.11Å
43A89.2Confident84.1Confident3 Ų366 Ų663%0.02533%0.331CS..Hα-helixtrans-69.2-45.8178.300000111.6L39 V40 K46 S47 L53 L118L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 3.04Å; V40-A43 PolarHBondContact O-N 3Å; A43-K46 PolarHBondContact O-N 3.4Å; A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 3.09Å; A43-L53 HydrophobicContact CB-CD1 4.13Å; A43-L118 HydrophobicContact CB-CD1 3.47Å; A43-L118 VanDerWaalsContact CB-CD1 3.47Å; A43-L118 HydrophobicContact CB-CD2 3.65Å; A43-L118 HydrophobicContact CB-CG 4.19Å
44K85.8Confident84.3Confident41 Ų4165.5 Ų65.518%0.17833%0.329CS..Hα-helixtrans-63.1-39.8176.2-71.8-82.3-177.21660112.5V40 K46 S47 S51 L118 E192V40-K44 HydrophobicContact CG1-CG 4.48Å; V40-K44 WeakPolarHBondContact O-CG 3.22Å; V40-K44 PolarHBondContact O-N 3.49Å; K44-K46 VanDerWaalsContact C-N 3.28Å; K44-K46 PolarHBondContact O-N 3.03Å; K44-S47 CarbonylContact O-C 3.52Å; K44-S51 PolarHBondContact NZ-OG 2.79Å; K44-L118 HydrophobicContact CG-CD2 4.25Å; K44-E192 VanDerWaalsContact CE-OE2 3.27Å; K44-E192 WeakPolarHBondContact CE-OE2 3.45Å; K44-E192 IonicContact NZ-OE1 2.61Å; K44-E192 PolarHBondContact NZ-OE1 2.97Å; K44-E192 IonicContact NZ-OE2 3.53Å; K44-E192 PolarHBondContact NZ-OE2 3.41Å
45T85.4Confident84.6Confident99 Ų9960.2 Ų60.261%0.60730%0.304SS*.Hα-helixtrans-69.8-20.4175.851.10000114.1T41 Y42T41-T45 WeakPolarHBondContact O-CB 3.34Å; T41-T45 WeakPolarHBondContact O-CG2 3.37Å; T41-T45 PolarHBondContact O-N 2.97Å; T41-T45 PolarHBondContact O-OG1 3Å; Y42-T45 WeakPolarHBondContact CA-OG1 3.3Å; Y42-T45 PolarHBondContact O-OG1 3.21Å; Y42-T45 VanDerWaalsContact O-OG1 3.1Å
46K84.3Confident84.6Confident134 Ų13461.6 Ų61.658%0.58332%0.316SS*.Hα-helixtrans-93.7-37.4173.8-72.2-70.2179.9-1790113.6Y42 A43 K44Y42-K46 HydrophobicContact CE1-CG 4.1Å; Y42-K46 HydrophobicContact CE2-CG 4.38Å; Y42-K46 WeakPolarHBondContact O-CB 3.5Å; Y42-K46 WeakPolarHBondContact O-CG 3.39Å; Y42-K46 PolarHBondContact O-N 3.39Å; Y42-K46 WeakPolarHBondContact OH-CE 3.46Å; A43-K46 PolarHBondContact O-N 3.4Å; K44-K46 VanDerWaalsContact C-N 3.28Å; K44-K46 PolarHBondContact O-N 3.03Å
47S70.8Confident84.7Confident39 Ų3963 Ų6327%0.27333%0.326SS..  trans-98.790.3177.6-170.30000110.6A43 K44 I49 G50A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 3.09Å; K44-S47 CarbonylContact O-C 3.52Å; S47-I49 PolarHBondContact O-N 3.48Å; S47-I49 PolarHBondContact OG-O 3.37Å; S47-G50 PolarHBondContact OG-O 3.36Å; S47-G50 VanDerWaalsContact OG-O 3.14Å
48K60.4Low84.9Confident201 Ų20160.9 Ų60.987%0.87432%0.316SS*.SBendtrans-64.8-11.8172.6-67.9-169.3176.6-172.20113.8
49I57.3Low85.1Confident155 Ų15557 Ų5780%0.79530%0.299SS*.SBendtrans-129.495.8-173.3-58.4166.7000109S47S47-I49 PolarHBondContact O-N 3.48Å; S47-I49 PolarHBondContact OG-O 3.37Å
50G63.2Low85.2Confident48 Ų4860.4 Ų60.450%0.49532%0.315SS..SBendtrans76.4160.3169.800000116.3S47 R52S47-G50 PolarHBondContact OG-O 3.36Å; S47-G50 VanDerWaalsContact OG-O 3.14Å; G50-R52 PolarHBondContact O-N 3.42Å
51S79.8Confident85.4Confident28 Ų2860.7 Ų60.720%0.19632%0.317CS..SBendtrans-79.441.7-175.3-54.70000113.5K44 L118 F119K44-S51 PolarHBondContact NZ-OG 2.79Å; S51-L118 WeakPolarHBondContact O-CB 3.4Å; S51-L118 PolarHBondContact O-N 3.44Å; S51-F119 WeakPolarHBondContact OG-CE2 3.41Å
52R89.2Confident85.7Confident143 Ų14357.7 Ų57.754%0.5430%0.298SS..EExtended strand (participates in β ladder)trans-100.4130.9175.9-64.7-17070.583.21111.4G50 S115 V116G50-R52 PolarHBondContact O-N 3.42Å; R52-S115 PolarHBondContact NE-OG 3.3Å; R52-S115 PolarHBondContact NH2-O 3.43Å; R52-S115 PolarHBondContact NH2-OG 3.39Å; R52-V116 CarbonylContact C-O 3.54Å; R52-V116 WeakPolarHBondContact CA-O 3.43Å
53L93.1Very high85.9Confident1 Ų156.2 Ų56.21%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-103.2118.6173.4178.664.6000109.3L39 A43 V57 W58 S115 V116 L118 F121L39-L53 HydrophobicContact CD2-CD2 4.4Å; A43-L53 HydrophobicContact CB-CD1 4.13Å; L53-V57 HydrophobicContact CD1-CB 3.92Å; L53-V57 HydrophobicContact CD1-CG1 3.62Å; L53-W58 HydrophobicContact CD2-CB 4.28Å; L53-W58 HydrophobicContact CG-CB 4.4Å; L53-S115 CarbonylContact O-C 3.59Å; L53-S115 WeakPolarHBondContact O-CA 3.44Å; L53-S115 WeakPolarHBondContact O-CB 3.5Å; L53-V116 HydrophobicContact CB-CG1 4.3Å; L53-V116 PolarHBondContact N-O 2.92Å; L53-V116 PolarHBondContact O-N 2.82Å; L53-L118 HydrophobicContact CB-CB 4.26Å; L53-L118 HydrophobicContact CB-CD1 4.16Å; L53-L118 HydrophobicContact CD1-CD1 4.48Å; L53-L118 HydrophobicContact CD2-CD1 4.15Å; L53-F121 HydrophobicContact CD2-CB 4.32Å; L53-F121 HydrophobicContact CD2-CD1 3.37Å; L53-F121 HydrophobicContact CD2-CE1 3.97Å; L53-F121 HydrophobicContact CD2-CG 4.06Å
54S93.9Very high86.1Confident29 Ų2960.7 Ų60.720%0.20332%0.321CS..EExtended strand (participates in β ladder)trans-80153.9170.767.90000111.8S56 V57 W58 Q114S54-S56 PolarHBondContact O-N 3.29Å; S54-S56 PolarHBondContact OG-OG 2.96Å; S54-V57 PolarHBondContact O-N 3.39Å; S54-V57 WeakPolarHBondContact OG-CG2 3.35Å; S54-V57 PolarHBondContact OG-N 3.48Å; S54-W58 PolarHBondContact O-N 3.13Å; S54-W58 VanDerWaalsContact O-N 3.08Å; S54-Q114 CarbonylContact C-O 3.53Å; S54-Q114 WeakPolarHBondContact CA-O 3.19Å
55Y95.4Very high86.4Confident2 Ų265 Ų651%0.00834%0.339CS..Hα-helixtrans-60.2-34.2173.3179.7-113.3000112V57 W58 K59 W74 F77 R111 Q114Y55-V57 PolarHBondContact O-N 2.91Å; Y55-W58 AromaticContact CD2-CD1 3.95Å; Y55-W58 PolarHBondContact O-N 3.17Å; Y55-K59 HydrophobicContact CE1-CB 4.07Å; Y55-K59 HydrophobicContact CE1-CD 3.88Å; Y55-K59 HydrophobicContact CE1-CG 4.46Å; Y55-K59 HydrophobicContact CE2-CB 4.25Å; Y55-K59 VanDerWaalsContact O-CB 3.27Å; Y55-K59 WeakPolarHBondContact O-CB 3.42Å; Y55-K59 PolarHBondContact O-N 3.21Å; Y55-W74 HydrophobicContact CD1-CE3 4.05Å; Y55-W74 HydrophobicContact CD1-CZ3 4.24Å; Y55-W74 AromaticContact CD2-CE3 3.76Å; Y55-W74 HydrophobicContact CD2-CE3 3.76Å; Y55-W74 HydrophobicContact CD2-CZ3 4.2Å; Y55-W74 AromaticContact CE1-CE3 3.99Å; Y55-W74 HydrophobicContact CE1-CE3 3.99Å; Y55-W74 HydrophobicContact CE2-CB 4.16Å; Y55-W74 AromaticContact CE2-CE3 3.72Å; Y55-W74 HydrophobicContact CE2-CE3 3.72Å; Y55-W74 AromaticContact CG-CE3 3.94Å; Y55-W74 HydrophobicContact CG-CE3 3.94Å; Y55-W74 HydrophobicContact CG-CZ3 4.03Å; Y55-W74 AromaticContact CZ-CE3 3.84Å; Y55-F77 HydrophobicContact CD2-CB 3.94Å; Y55-F77 AromaticContact CD2-CD1 3.84Å; Y55-F77 HydrophobicContact CD2-CD1 3.84Å; Y55-F77 HydrophobicContact CD2-CD2 4.17Å; Y55-F77 HydrophobicContact CD2-CE1 4.37Å; Y55-F77 AromaticContact CD2-CG 3.73Å; Y55-F77 HydrophobicContact CD2-CG 3.73Å; Y55-F77 HydrophobicContact CE2-CB 4.3Å; Y55-F77 HydrophobicContact CG-CD1 4.28Å; Y55-F77 HydrophobicContact CG-CE1 4.44Å; Y55-R111 WeakPolarHBondContact CB-O 3.3Å; Y55-R111 HydrophobicContact CD1-CB 3.78Å; Y55-R111 HydrophobicContact CE1-CB 4.06Å; Y55-Q114 PolarHBondContact N-O 3.35Å
56S93.4Very high86.7Confident61 Ų6160.8 Ų60.843%0.42731%0.313SS..Hα-helixtrans-61.5-40.9176.949.30000113.3S54 H60S54-S56 PolarHBondContact O-N 3.29Å; S54-S56 PolarHBondContact OG-OG 2.96Å; S56-H60 PolarHBondContact O-N 2.71Å
57V93.8Very high87Confident34 Ų3460.2 Ų60.221%0.20631%0.312CS..Hα-helixtrans-69.3-41.3174.6173.10000110.5Y42 L53 S54 Y55 H60 V61Y42-V57 HydrophobicContact CD1-CG1 4.12Å; Y42-V57 HydrophobicContact CE1-CG1 4Å; L53-V57 HydrophobicContact CD1-CB 3.92Å; L53-V57 HydrophobicContact CD1-CG1 3.62Å; S54-V57 PolarHBondContact O-N 3.39Å; S54-V57 WeakPolarHBondContact OG-CG2 3.35Å; S54-V57 PolarHBondContact OG-N 3.48Å; Y55-V57 PolarHBondContact O-N 2.91Å; V57-H60 PolarHBondContact O-N 3.24Å; V57-V61 PolarHBondContact O-N 2.89Å
58W95.6Very high88.1Confident1 Ų158.8 Ų58.80%0.00430%0.301CS..Hα-helixtrans-64.4-51.4176.2171.6-124000112.9L31 L39 L53 S54 Y55 H60 V61 A62 L66 L68 A73 L76 F77 F121 L125L31-W58 HydrophobicContact CD2-CH2 4.26Å; L39-W58 HydrophobicContact CD1-CE3 4.2Å; L39-W58 HydrophobicContact CD2-CE3 4.01Å; L39-W58 HydrophobicContact CD2-CZ3 3.92Å; L53-W58 HydrophobicContact CD2-CB 4.28Å; L53-W58 HydrophobicContact CG-CB 4.4Å; S54-W58 PolarHBondContact O-N 3.13Å; S54-W58 VanDerWaalsContact O-N 3.08Å; Y55-W58 AromaticContact CD2-CD1 3.95Å; Y55-W58 PolarHBondContact O-N 3.17Å; W58-H60 PolarHBondContact O-N 2.94Å; W58-V61 PolarHBondContact O-N 2.93Å; W58-A62 HydrophobicContact CD2-CB 4.06Å; W58-A62 HydrophobicContact CE3-CB 4.25Å; W58-A62 HydrophobicContact CH2-CB 4.08Å; W58-A62 HydrophobicContact CZ2-CB 3.86Å; W58-A62 HydrophobicContact CZ3-CB 4.26Å; W58-A62 VanDerWaalsContact O-CB 3.25Å; W58-A62 WeakPolarHBondContact O-CB 3.5Å; W58-A62 PolarHBondContact O-N 2.92Å; W58-L66 HydrophobicContact CH2-CD1 3.82Å; W58-L66 HydrophobicContact CZ3-CD1 3.81Å; W58-L68 HydrophobicContact CH2-CD1 4.03Å; W58-L68 HydrophobicContact CZ2-CD1 3.98Å; W58-A73 PolarHBondContact NE1-O 3.31Å; W58-L76 HydrophobicContact CZ2-CD1 4.22Å; W58-F77 HydrophobicContact CB-CD2 4.18Å; W58-F77 HydrophobicContact CB-CE2 4.31Å; W58-F77 AromaticContact CD1-CD2 3.61Å; W58-F77 HydrophobicContact CG-CD2 4.06Å; W58-F121 AromaticContact CD2-CE1 3.54Å; W58-F121 HydrophobicContact CD2-CE1 3.54Å; W58-F121 AromaticContact CD2-CZ 3.81Å; W58-F121 HydrophobicContact CD2-CZ 3.81Å; W58-F121 AromaticContact CE2-CE1 3.71Å; W58-F121 AromaticContact CE2-CZ 3.51Å; W58-F121 AromaticContact CE3-CE1 3.72Å; W58-F121 HydrophobicContact CE3-CE1 3.72Å; W58-F121 HydrophobicContact CE3-CZ 4.38Å; W58-F121 HydrophobicContact CG-CE1 4.02Å; W58-F121 HydrophobicContact CG-CZ 4.16Å; W58-F121 HydrophobicContact CH2-CE1 4.2Å; W58-F121 HydrophobicContact CH2-CZ 4.4Å; W58-F121 HydrophobicContact CZ2-CE1 4.05Å; W58-F121 AromaticContact CZ2-CZ 3.84Å; W58-F121 HydrophobicContact CZ2-CZ 3.84Å; W58-F121 HydrophobicContact CZ3-CE1 4.05Å; W58-F121 AromaticContact NE1-CZ 3.66Å; W58-L125 HydrophobicContact CH2-CD1 3.75Å; W58-L125 HydrophobicContact CH2-CD2 4.26Å; W58-L125 HydrophobicContact CZ2-CD1 4.45Å; W58-L125 HydrophobicContact CZ2-CD2 4.32Å; W58-L125 HydrophobicContact CZ3-CD1 3.93Å
59K95.3Very high89.6Confident45 Ų4551.9 Ų51.920%0.19628%0.277CS..Hα-helixtrans-50.2-43.7176176.2172.2169.3165.20110.9Y55 C63 E70 E108Y55-K59 HydrophobicContact CE1-CB 4.07Å; Y55-K59 HydrophobicContact CE1-CD 3.88Å; Y55-K59 HydrophobicContact CE1-CG 4.46Å; Y55-K59 HydrophobicContact CE2-CB 4.25Å; Y55-K59 VanDerWaalsContact O-CB 3.27Å; Y55-K59 WeakPolarHBondContact O-CB 3.42Å; Y55-K59 PolarHBondContact O-N 3.21Å; K59-C63 WeakPolarHBondContact O-CB 3.33Å; K59-C63 PolarHBondContact O-N 3.1Å; K59-C63 PolarHBondContact O-SG 3.21Å; K59-E70 HydrophobicContact CD-CG 4.43Å; K59-E70 WeakPolarHBondContact CE-OE1 3.34Å; K59-E70 WeakPolarHBondContact CE-OE2 3.35Å; K59-E70 IonicContact NZ-OE1 2.71Å; K59-E70 PolarHBondContact NZ-OE1 2.84Å; K59-E70 IonicContact NZ-OE2 2.71Å; K59-E70 PolarHBondContact NZ-OE2 2.71Å; K59-E108 IonicContact NZ-OE1 2.78Å; K59-E108 IonicContact NZ-OE2 3.61Å; K59-E108 PolarHBondContact NZ-OE2 3.36Å
60H94.1Very high91.3Very high74 Ų7447.4 Ų47.434%0.34325%0.252SS..Hα-helixtrans-61.6-47.2175.9-178.191.8000113.1Y42 S56 V57 W58 N64Y42-H60 AromaticContact CZ-CD2 3.98Å; Y42-H60 PolarHBondContact OH-CD2 3.03Å; S56-H60 PolarHBondContact O-N 2.71Å; V57-H60 PolarHBondContact O-N 3.24Å; W58-H60 PolarHBondContact O-N 2.94Å; H60-N64 PolarHBondContact ND1-ND2 3.08Å; H60-N64 VanDerWaalsContact O-CB 3.24Å; H60-N64 WeakPolarHBondContact O-CB 3.49Å; H60-N64 PolarHBondContact O-N 3.35Å; H60-N64 PolarHBondContact O-ND2 2.84Å
61V94.8Very high92.6Very high9 Ų947.9 Ų47.96%0.05524%0.243CC..Hα-helixtrans-69.6-46.6179.6177.50000111L39 Y42 V57 W58 C63 K65 L66L39-V61 HydrophobicContact CD1-CB 4.18Å; L39-V61 HydrophobicContact CD1-CG1 4.09Å; L39-V61 HydrophobicContact CD1-CG2 4.02Å; Y42-V61 HydrophobicContact CD1-CG2 3.28Å; Y42-V61 HydrophobicContact CE1-CG2 3.51Å; Y42-V61 HydrophobicContact CG-CG2 4.11Å; V57-V61 PolarHBondContact O-N 2.89Å; W58-V61 PolarHBondContact O-N 2.93Å; V61-C63 PolarHBondContact O-N 2.96Å; V61-K65 HydrophobicContact CG1-CB 4.34Å; V61-K65 WeakPolarHBondContact O-CA 3.47Å; V61-K65 VanDerWaalsContact O-CB 3.32Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 PolarHBondContact O-N 3.09Å; V61-L66 HydrophobicContact CG1-CD1 4.27Å; V61-L66 HydrophobicContact CG1-CG 4.2Å; V61-L66 PolarHBondContact O-N 2.99Å
62A94.8Very high93.3Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-55.3-53.1179.800000111.9W58 L66 Q67 L68 A73W58-A62 HydrophobicContact CD2-CB 4.06Å; W58-A62 HydrophobicContact CE3-CB 4.25Å; W58-A62 HydrophobicContact CH2-CB 4.08Å; W58-A62 HydrophobicContact CZ2-CB 3.86Å; W58-A62 HydrophobicContact CZ3-CB 4.26Å; W58-A62 VanDerWaalsContact O-CB 3.25Å; W58-A62 WeakPolarHBondContact O-CB 3.5Å; W58-A62 PolarHBondContact O-N 2.92Å; A62-L66 CarbonylContact O-C 3.58Å; A62-L66 VanDerWaalsContact O-C 3.28Å; A62-L66 WeakPolarHBondContact O-CA 3.08Å; A62-L66 WeakPolarHBondContact O-CB 3.27Å; A62-L66 PolarHBondContact O-N 3.3Å; A62-Q67 PolarHBondContact O-N 2.95Å; A62-L68 HydrophobicContact CB-CB 4.3Å; A62-L68 HydrophobicContact CB-CD1 4.02Å; A62-L68 PolarHBondContact O-N 3.25Å; A62-A73 HydrophobicContact CB-CB 3.54Å
63C94.5Very high93.6Very high34 Ų3441.1 Ų41.123%0.2322%0.215CC..Hα-helixtrans-76.9-52-177.4-53.70000111.5K59 V61 Q67 L68K59-C63 WeakPolarHBondContact O-CB 3.33Å; K59-C63 PolarHBondContact O-N 3.1Å; K59-C63 PolarHBondContact O-SG 3.21Å; V61-C63 PolarHBondContact O-N 2.96Å; C63-Q67 VanDerWaalsContact O-CA 3.3Å; C63-Q67 WeakPolarHBondContact O-CA 3.42Å; C63-Q67 PolarHBondContact O-N 2.83Å; C63-L68 WeakPolarHBondContact CA-O 3.37Å
64N93.2Very high93.7Very high97 Ų9742.5 Ų42.552%0.51922%0.221SC..Hα-helixtrans-84.6-20.5-168.1-55.9-59.3000114.8H60H60-N64 PolarHBondContact ND1-ND2 3.08Å; H60-N64 VanDerWaalsContact O-CB 3.24Å; H60-N64 WeakPolarHBondContact O-CB 3.49Å; H60-N64 PolarHBondContact O-N 3.35Å; H60-N64 PolarHBondContact O-ND2 2.84Å
65K91.9Very high93.7Very high132 Ų13241.8 Ų41.857%0.57422%0.215SC*.THydrogen-bonded Turntrans-112.8-45.5179.8-50.4-61.1179.1-175.10111.6V61V61-K65 HydrophobicContact CG1-CB 4.34Å; V61-K65 WeakPolarHBondContact O-CA 3.47Å; V61-K65 VanDerWaalsContact O-CB 3.32Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 PolarHBondContact O-N 3.09Å
66L92.1Very high93.7Very high10 Ų1041.9 Ų41.95%0.05222%0.216CC..THydrogen-bonded Turntrans-90.7-7.1-177.7-49.4-179.3000113.8H28 R30 L31 N35 W58 V61 A62 L68H28-L66 PolarHBondContact CE1-O 2.84Å; H28-L66 VanDerWaalsContact CE1-O 3.24Å; R30-L66 HydrophobicContact CB-CB 4.41Å; R30-L66 HydrophobicContact CB-CD2 4.43Å; R30-L66 WeakPolarHBondContact CD-O 3.35Å; L31-L66 HydrophobicContact CD2-CD1 4.05Å; N35-L66 HydrophobicContact CB-CD2 3.87Å; W58-L66 HydrophobicContact CH2-CD1 3.82Å; W58-L66 HydrophobicContact CZ3-CD1 3.81Å; V61-L66 HydrophobicContact CG1-CD1 4.27Å; V61-L66 HydrophobicContact CG1-CG 4.2Å; V61-L66 PolarHBondContact O-N 2.99Å; A62-L66 CarbonylContact O-C 3.58Å; A62-L66 VanDerWaalsContact O-C 3.28Å; A62-L66 WeakPolarHBondContact O-CA 3.08Å; A62-L66 WeakPolarHBondContact O-CB 3.27Å; A62-L66 PolarHBondContact O-N 3.3Å; L66-L68 HydrophobicContact CB-CD1 4.34Å; L66-L68 HydrophobicContact CB-CG 4.01Å; L66-L68 HydrophobicContact CD1-CD1 4.44Å; L66-L68 PolarHBondContact O-N 2.69Å
67Q91.3Very high93.9Very high122 Ų12239 Ų3957%0.5720%0.196SC*.  trans49.537.5-178.2-70.8177.3-200113.6A62 C63A62-Q67 PolarHBondContact O-N 2.95Å; C63-Q67 VanDerWaalsContact O-CA 3.3Å; C63-Q67 WeakPolarHBondContact O-CA 3.42Å; C63-Q67 PolarHBondContact O-N 2.83Å
68L92.1Very high93.9Very high8 Ų837.8 Ų37.84%0.04219%0.188CC..  trans-78.3148.5166.2-55.2179.1000109.4H28 L31 W58 A62 C63 L66 L72 L76H28-L68 HydrophobicContact CB-CD2 3.85Å; H28-L68 WeakPolarHBondContact ND1-CD2 3.47Å; L31-L68 HydrophobicContact CD2-CD1 4.31Å; W58-L68 HydrophobicContact CH2-CD1 4.03Å; W58-L68 HydrophobicContact CZ2-CD1 3.98Å; A62-L68 HydrophobicContact CB-CB 4.3Å; A62-L68 HydrophobicContact CB-CD1 4.02Å; A62-L68 PolarHBondContact O-N 3.25Å; C63-L68 WeakPolarHBondContact CA-O 3.37Å; L66-L68 HydrophobicContact CB-CD1 4.34Å; L66-L68 HydrophobicContact CB-CG 4.01Å; L66-L68 HydrophobicContact CD1-CD1 4.44Å; L66-L68 PolarHBondContact O-N 2.69Å; L68-L72 HydrophobicContact CB-CD2 4.49Å; L68-L72 HydrophobicContact CD2-CD2 3.92Å; L68-L76 HydrophobicContact CD1-CD1 4.2Å
69T92.1Very high93.9Very high57 Ų5737.9 Ų37.935%0.3519%0.188SC..  trans-67.4154.3167.357.80000110.6D71 L72 A73T69-D71 VanDerWaalsContact C-N 3.34Å; T69-D71 PolarHBondContact O-N 2.87Å; T69-L72 PolarHBondContact O-N 2.63Å; T69-L72 WeakPolarHBondContact OG1-CB 3.45Å; T69-L72 PolarHBondContact OG1-N 3.08Å; T69-A73 PolarHBondContact O-N 2.7Å
70E93Very high93.9Very high60 Ų6035.7 Ų35.728%0.2818%0.179SC..Hα-helixtrans-59.9-43.9178.6174.9166.7172.900112.3K59 L72 A73 W74K59-E70 HydrophobicContact CD-CG 4.43Å; K59-E70 WeakPolarHBondContact CE-OE1 3.34Å; K59-E70 WeakPolarHBondContact CE-OE2 3.35Å; K59-E70 IonicContact NZ-OE1 2.71Å; K59-E70 PolarHBondContact NZ-OE1 2.84Å; K59-E70 IonicContact NZ-OE2 2.71Å; K59-E70 PolarHBondContact NZ-OE2 2.71Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 2.68Å; E70-A73 WeakPolarHBondContact O-CB 3.41Å; E70-A73 PolarHBondContact O-N 2.74Å; E70-A73 VanDerWaalsContact O-N 3.12Å; E70-W74 PolarHBondContact O-N 2.9Å
71D92.3Very high93.9Very high59 Ų5933.3 Ų33.332%0.31617%0.168SC..Hα-helixtrans-55.2-46.6175.4-91.8-27.2000111.2T69 A73 W74 V75 R428 F509T69-D71 VanDerWaalsContact C-N 3.34Å; T69-D71 PolarHBondContact O-N 2.87Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.25Å; D71-W74 PolarHBondContact O-N 3.38Å; D71-V75 VanDerWaalsContact O-CB 3.3Å; D71-V75 WeakPolarHBondContact O-CB 3.49Å; D71-V75 VanDerWaalsContact O-CG2 3.23Å; D71-V75 WeakPolarHBondContact O-CG2 3.32Å; D71-V75 PolarHBondContact O-N 2.95Å; D71-R428 IonicContact OD1-NH1 3.14Å; D71-R428 PolarHBondContact OD1-NH1 3.25Å; D71-R428 IonicContact OD2-CZ 2.7Å; D71-R428 IonicContact OD2-NH1 2.7Å; D71-R428 PolarHBondContact OD2-NH1 2.8Å; D71-R428 IonicContact OD2-NH2 2.68Å; D71-F509 HydrophobicContact CB-CD2 3.85Å; D71-F509 HydrophobicContact CB-CE2 3.45Å; D71-F509 VanDerWaalsContact CB-CE2 3.45Å; D71-F509 HydrophobicContact CB-CZ 4.16Å
72L92.9Very high93.8Very high28 Ų2832.9 Ų32.915%0.14717%0.166CC..Hα-helixtrans-65.6-38.4177.718055000111.8L68 T69 E70 V75 L76 F509 L511L68-L72 HydrophobicContact CB-CD2 4.49Å; L68-L72 HydrophobicContact CD2-CD2 3.92Å; T69-L72 PolarHBondContact O-N 2.63Å; T69-L72 WeakPolarHBondContact OG1-CB 3.45Å; T69-L72 PolarHBondContact OG1-N 3.08Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 2.68Å; L72-V75 PolarHBondContact O-N 2.85Å; L72-L76 HydrophobicContact CD1-CD1 4.13Å; L72-L76 HydrophobicContact CD1-CG 4.2Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 WeakPolarHBondContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.39Å; L72-L76 PolarHBondContact O-N 3.45Å; L72-F509 HydrophobicContact CB-CZ 4.17Å; L72-L511 HydrophobicContact CD1-CD1 3.82Å
73A95.4Very high93.7Very high0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-62.3-42.6174.800000111.7W58 A62 T69 E70 D71 F77W58-A73 PolarHBondContact NE1-O 3.31Å; A62-A73 HydrophobicContact CB-CB 3.54Å; T69-A73 PolarHBondContact O-N 2.7Å; E70-A73 WeakPolarHBondContact O-CB 3.41Å; E70-A73 PolarHBondContact O-N 2.74Å; E70-A73 VanDerWaalsContact O-N 3.12Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.25Å; A73-F77 WeakPolarHBondContact O-CB 3.18Å; A73-F77 PolarHBondContact O-N 2.94Å
74W95.4Very high93.6Very high30 Ų3033.9 Ų33.911%0.11417%0.172CC..Hα-helixtrans-67.9-45.8174.5178.9-112.1000112.1Y55 E70 D71 L76 F77 H78 I98 R111 Q114Y55-W74 HydrophobicContact CD1-CE3 4.05Å; Y55-W74 HydrophobicContact CD1-CZ3 4.24Å; Y55-W74 AromaticContact CD2-CE3 3.76Å; Y55-W74 HydrophobicContact CD2-CE3 3.76Å; Y55-W74 HydrophobicContact CD2-CZ3 4.2Å; Y55-W74 AromaticContact CE1-CE3 3.99Å; Y55-W74 HydrophobicContact CE1-CE3 3.99Å; Y55-W74 HydrophobicContact CE2-CB 4.16Å; Y55-W74 AromaticContact CE2-CE3 3.72Å; Y55-W74 HydrophobicContact CE2-CE3 3.72Å; Y55-W74 AromaticContact CG-CE3 3.94Å; Y55-W74 HydrophobicContact CG-CE3 3.94Å; Y55-W74 HydrophobicContact CG-CZ3 4.03Å; Y55-W74 AromaticContact CZ-CE3 3.84Å; E70-W74 PolarHBondContact O-N 2.9Å; D71-W74 PolarHBondContact O-N 3.38Å; W74-L76 VanDerWaalsContact C-N 3.33Å; W74-L76 PolarHBondContact O-N 3.14Å; W74-F77 HydrophobicContact CE3-CD1 4.46Å; W74-F77 HydrophobicContact CZ3-CD1 4.11Å; W74-F77 PolarHBondContact O-N 2.89Å; W74-H78 HydrophobicContact CD2-CB 4.37Å; W74-H78 HydrophobicContact CZ2-CB 4.02Å; W74-H78 AromaticContact CZ2-CD2 3.55Å; W74-H78 WeakPolarHBondContact O-CB 3.34Å; W74-H78 PolarHBondContact O-N 3.24Å; W74-I98 HydrophobicContact CH2-CD1 3.94Å; W74-I98 HydrophobicContact CZ2-CD1 3.84Å; W74-R111 HydrophobicContact CD2-CG 4.2Å; W74-R111 HydrophobicContact CE3-CB 4.03Å; W74-R111 HydrophobicContact CE3-CG 3.95Å; W74-R111 HydrophobicContact CH2-CB 4.04Å; W74-R111 HydrophobicContact CH2-CG 3.69Å; W74-R111 HydrophobicContact CZ2-CG 3.93Å; W74-R111 HydrophobicContact CZ3-CB 3.64Å; W74-R111 HydrophobicContact CZ3-CG 3.69Å; W74-Q114 HydrophobicContact CH2-CG 4.31Å
75V94.7Very high93.2Very high15 Ų1530.4 Ų30.49%0.09116%0.157CC..Hα-helixtrans-60-40.2-179.4162.80000111.9F23 D71 L72 T79 I430 F509F23-V75 HydrophobicContact CE1-CG1 4.28Å; F23-V75 HydrophobicContact CE2-CG1 3.94Å; F23-V75 HydrophobicContact CZ-CG1 3.46Å; F23-V75 VanDerWaalsContact CZ-CG1 3.46Å; D71-V75 VanDerWaalsContact O-CB 3.3Å; D71-V75 WeakPolarHBondContact O-CB 3.49Å; D71-V75 VanDerWaalsContact O-CG2 3.23Å; D71-V75 WeakPolarHBondContact O-CG2 3.32Å; D71-V75 PolarHBondContact O-N 2.95Å; L72-V75 PolarHBondContact O-N 2.85Å; V75-T79 WeakPolarHBondContact O-CB 3.49Å; V75-T79 PolarHBondContact O-N 3Å; V75-T79 PolarHBondContact O-OG1 3.35Å; V75-I430 HydrophobicContact CG1-CD1 3.69Å; V75-F509 HydrophobicContact CB-CE1 4.38Å; V75-F509 HydrophobicContact CG1-CD1 4.43Å; V75-F509 HydrophobicContact CG1-CE1 4.31Å; V75-F509 HydrophobicContact CG2-CD1 3.89Å; V75-F509 HydrophobicContact CG2-CE1 4.09Å; V75-F509 HydrophobicContact CG2-CG 4.39Å
76L95.4Very high92.6Very high4 Ų430 Ų302%0.02117%0.166CC..Hα-helixtrans-64.3-44.4171.7-75164.2000111.8F23 L31 W58 L68 L72 W74 C80 F124 L125 Q128F23-L76 HydrophobicContact CD2-CD2 4.32Å; F23-L76 HydrophobicContact CE2-CD2 3.97Å; L31-L76 HydrophobicContact CD1-CD1 4.41Å; W58-L76 HydrophobicContact CZ2-CD1 4.22Å; L68-L76 HydrophobicContact CD1-CD1 4.2Å; L72-L76 HydrophobicContact CD1-CD1 4.13Å; L72-L76 HydrophobicContact CD1-CG 4.2Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 WeakPolarHBondContact O-CB 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.39Å; L72-L76 PolarHBondContact O-N 3.45Å; W74-L76 VanDerWaalsContact C-N 3.33Å; W74-L76 PolarHBondContact O-N 3.14Å; L76-C80 PolarHBondContact O-N 3.06Å; L76-F124 HydrophobicContact CB-CE1 4.42Å; L76-F124 HydrophobicContact CD2-CE1 4Å; L76-F124 WeakPolarHBondContact O-CE1 3.39Å; L76-L125 HydrophobicContact CD1-CD2 4.28Å; L76-L125 HydrophobicContact CD2-CD2 4.28Å; L76-Q128 HydrophobicContact CD2-CG 4.5Å
77F96.3Very high92.3Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-68.2-49.2-177-164.7-94.9000112.8Y55 W58 A73 W74 C80 L81 Q114 V116 F121Y55-F77 HydrophobicContact CD2-CB 3.94Å; Y55-F77 AromaticContact CD2-CD1 3.84Å; Y55-F77 HydrophobicContact CD2-CD1 3.84Å; Y55-F77 HydrophobicContact CD2-CD2 4.17Å; Y55-F77 HydrophobicContact CD2-CE1 4.37Å; Y55-F77 AromaticContact CD2-CG 3.73Å; Y55-F77 HydrophobicContact CD2-CG 3.73Å; Y55-F77 HydrophobicContact CE2-CB 4.3Å; Y55-F77 HydrophobicContact CG-CD1 4.28Å; Y55-F77 HydrophobicContact CG-CE1 4.44Å; W58-F77 HydrophobicContact CB-CD2 4.18Å; W58-F77 HydrophobicContact CB-CE2 4.31Å; W58-F77 AromaticContact CD1-CD2 3.61Å; W58-F77 HydrophobicContact CG-CD2 4.06Å; A73-F77 WeakPolarHBondContact O-CB 3.18Å; A73-F77 PolarHBondContact O-N 2.94Å; W74-F77 HydrophobicContact CE3-CD1 4.46Å; W74-F77 HydrophobicContact CZ3-CD1 4.11Å; W74-F77 PolarHBondContact O-N 2.89Å; F77-C80 PolarHBondContact O-N 3.4Å; F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.27Å; F77-L81 HydrophobicContact CE1-CD1 3.71Å; F77-L81 HydrophobicContact CE1-CG 4.2Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 2.95Å; F77-Q114 HydrophobicContact CE1-CB 3.93Å; F77-V116 HydrophobicContact CD2-CG1 4.4Å; F77-V116 HydrophobicContact CE2-CG1 3.64Å; F77-V116 HydrophobicContact CZ-CB 4.42Å; F77-V116 HydrophobicContact CZ-CG1 3.93Å; F77-F121 HydrophobicContact CB-CE2 4.45Å; F77-F121 HydrophobicContact CD2-CD2 4.43Å; F77-F121 HydrophobicContact CD2-CE2 4.09Å; F77-F121 HydrophobicContact CD2-CZ 4.2Å
78H94.7Very high92.2Very high9 Ų929.6 Ų29.64%0.04216%0.163CC..Hα-helixtrans-67.1-33.9177.3-172.6-92000112.3W74 L81 T82 D95W74-H78 HydrophobicContact CD2-CB 4.37Å; W74-H78 HydrophobicContact CZ2-CB 4.02Å; W74-H78 AromaticContact CZ2-CD2 3.55Å; W74-H78 WeakPolarHBondContact O-CB 3.34Å; W74-H78 PolarHBondContact O-N 3.24Å; H78-L81 PolarHBondContact O-N 3.18Å; H78-T82 WeakPolarHBondContact O-CB 3.39Å; H78-T82 PolarHBondContact O-N 3.43Å; H78-T82 PolarHBondContact O-OG1 2.98Å; H78-D95 IonicContact CD2-OD1 3.14Å; H78-D95 IonicContact CE1-OD1 3.98Å; H78-D95 IonicContact NE2-OD1 3.8Å; H78-D95 PolarHBondContact NE2-OD1 2.94Å; H78-D95 IonicContact NE2-OD2 3.93Å
79T95.8Very high92.2Very high2 Ų235.9 Ų35.91%0.01219%0.192CC..Hα-helixtrans-62-48.8169.7-63.30000111.1F23 V75 L81 T82 M83 F124 R410F23-T79 HydrophobicContact CZ-CG2 4.49Å; V75-T79 WeakPolarHBondContact O-CB 3.49Å; V75-T79 PolarHBondContact O-N 3Å; V75-T79 PolarHBondContact O-OG1 3.35Å; T79-L81 PolarHBondContact O-N 2.88Å; T79-T82 PolarHBondContact O-N 3.2Å; T79-T82 VanDerWaalsContact O-N 3.17Å; T79-M83 HydrophobicContact CG2-CG 4.39Å; T79-M83 WeakPolarHBondContact O-CG 3.19Å; T79-M83 PolarHBondContact O-N 3.47Å; T79-F124 HydrophobicContact CG2-CE2 3.74Å; T79-F124 HydrophobicContact CG2-CZ 3.5Å; T79-R410 PolarHBondContact OG1-NE 3.34Å; T79-R410 PolarHBondContact OG1-NH2 3.48Å
80C95.7Very high92.3Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-58.8-47.7176.8-171.90000111.6L76 F77 T82 M83 S84 F121 F124L76-C80 PolarHBondContact O-N 3.06Å; F77-C80 PolarHBondContact O-N 3.4Å; C80-T82 VanDerWaalsContact C-N 3.27Å; C80-T82 PolarHBondContact O-N 3.02Å; C80-M83 PolarHBondContact O-N 3.46Å; C80-M83 VanDerWaalsContact O-N 3.13Å; C80-S84 PolarHBondContact O-N 2.95Å; C80-S84 PolarHBondContact O-OG 3.32Å; C80-S84 VanDerWaalsContact O-OG 3.07Å; C80-F121 HydrophobicContact CB-CD2 3.63Å; C80-F121 HydrophobicContact CB-CE2 3.98Å; C80-F124 HydrophobicContact CB-CB 4.23Å; C80-F124 HydrophobicContact CB-CD1 3.63Å; C80-F124 HydrophobicContact CB-CD2 4.11Å; C80-F124 HydrophobicContact CB-CE1 4.01Å; C80-F124 HydrophobicContact CB-CE2 4.45Å; C80-F124 HydrophobicContact CB-CG 3.68Å; C80-F124 HydrophobicContact CB-CZ 4.42Å; C80-F124 VanDerWaalsContact SG-CB 3.59Å
81L93.8Very high92.3Very high23 Ų2337.3 Ų37.312%0.1219%0.193CC..Hα-helixtrans-53.9-44.1175.2-74.9174.3000111.6F77 H78 T79 S84 A85 Q114 V116F77-L81 HydrophobicContact CD1-CD1 3.79Å; F77-L81 HydrophobicContact CD1-CG 4.27Å; F77-L81 HydrophobicContact CE1-CD1 3.71Å; F77-L81 HydrophobicContact CE1-CG 4.2Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 2.95Å; H78-L81 PolarHBondContact O-N 3.18Å; T79-L81 PolarHBondContact O-N 2.88Å; L81-S84 CarbonylContact O-C 3.28Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 PolarHBondContact O-OG 3.02Å; L81-A85 VanDerWaalsContact O-CB 3.23Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 3.21Å; L81-Q114 HydrophobicContact CD1-CB 4.22Å; L81-V116 HydrophobicContact CD2-CB 3.93Å; L81-V116 HydrophobicContact CD2-CG2 4.27Å
82T93.4Very high92.4Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-66.4-37179.1-54.10000112.5H78 T79 C80 Y88 R409H78-T82 WeakPolarHBondContact O-CB 3.39Å; H78-T82 PolarHBondContact O-N 3.43Å; H78-T82 PolarHBondContact O-OG1 2.98Å; T79-T82 PolarHBondContact O-N 3.2Å; T79-T82 VanDerWaalsContact O-N 3.17Å; C80-T82 VanDerWaalsContact C-N 3.27Å; C80-T82 PolarHBondContact O-N 3.02Å; T82-Y88 HydrophobicContact CG2-CE1 4.38Å; T82-Y88 PolarHBondContact O-OH 3.39Å; T82-R409 HydrophobicContact CG2-CG 4.45Å
83M92Very high92.5Very high9 Ų938.6 Ų38.64%0.04420%0.198CC..Hα-helixtrans-73.1-31.6176.1-60.7-51.995.600112.7T79 C80 F124 L215 N392T79-M83 HydrophobicContact CG2-CG 4.39Å; T79-M83 WeakPolarHBondContact O-CG 3.19Å; T79-M83 PolarHBondContact O-N 3.47Å; C80-M83 PolarHBondContact O-N 3.46Å; C80-M83 VanDerWaalsContact O-N 3.13Å; M83-F124 HydrophobicContact CG-CE2 4.42Å; M83-L215 HydrophobicContact CB-CD1 4.24Å; M83-N392 WeakPolarHBondContact CE-ND2 3.44Å; M83-N392 WeakPolarHBondContact CE-OD1 3.23Å
84S91.3Very high92.3Very high47 Ų4739.1 Ų39.133%0.32920%0.202SC..THydrogen-bonded Turntrans-96.46.9-179.868.20000114.1C80 L81 T86C80-S84 PolarHBondContact O-N 2.95Å; C80-S84 PolarHBondContact O-OG 3.32Å; C80-S84 VanDerWaalsContact O-OG 3.07Å; L81-S84 CarbonylContact O-C 3.28Å; L81-S84 PolarHBondContact O-N 2.94Å; L81-S84 PolarHBondContact O-OG 3.02Å; S84-T86 PolarHBondContact O-N 3.17Å
85A85Confident92.3Very high23 Ų2338 Ų3819%0.1920%0.198CC..  trans-79.9115.8-175.400000112L81 Y88 L91L81-A85 VanDerWaalsContact O-CB 3.23Å; L81-A85 WeakPolarHBondContact O-CB 3.38Å; L81-A85 PolarHBondContact O-N 3.21Å; A85-Y88 HydrophobicContact CB-CD1 3.83Å; A85-Y88 HydrophobicContact CB-CE1 3.44Å; A85-Y88 VanDerWaalsContact CB-CE1 3.44Å; A85-Y88 HydrophobicContact CB-CE2 4.49Å; A85-Y88 WeakPolarHBondContact O-CE2 3.31Å; A85-L91 HydrophobicContact CB-CD2 4.4Å
86T79.9Confident92.4Very high124 Ų12439 Ų3976%0.76120%0.201SC*.SBendtrans-91.6-18.2167.553.70000113S84S84-T86 PolarHBondContact O-N 3.17Å
87Q85.1Confident92.4Very high108 Ų10844 Ų4451%0.50522%0.22SC..  trans-128.579.7-176-67.9-176.1-24.700110.6E89 K90Q87-E89 PolarHBondContact O-N 2.87Å; Q87-K90 HydrophobicContact CB-CD 4.34Å; Q87-K90 PolarHBondContact O-N 2.95Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; Q87-K90 VanDerWaalsContact OE1-CE 3.3Å
88Y90.2Very high92.3Very high15 Ų1544.5 Ų44.56%0.05922%0.223CC..Hα-helixtrans-64.9-21.4-176.7-74.4-67.7000114.8T82 A85 K90 L91 K92 R373 E391T82-Y88 HydrophobicContact CG2-CE1 4.38Å; T82-Y88 PolarHBondContact O-OH 3.39Å; A85-Y88 HydrophobicContact CB-CD1 3.83Å; A85-Y88 HydrophobicContact CB-CE1 3.44Å; A85-Y88 VanDerWaalsContact CB-CE1 3.44Å; A85-Y88 HydrophobicContact CB-CE2 4.49Å; A85-Y88 WeakPolarHBondContact O-CE2 3.31Å; Y88-K90 VanDerWaalsContact C-N 3.31Å; Y88-K90 PolarHBondContact O-N 3.04Å; Y88-L91 HydrophobicContact CD1-CD2 4.01Å; Y88-L91 HydrophobicContact CE1-CD2 4.22Å; Y88-L91 PolarHBondContact O-N 3.09Å; Y88-L91 VanDerWaalsContact O-N 3.16Å; Y88-K92 PolarHBondContact O-N 3.12Å; Y88-R373 PolarHBondContact OH-NH1 3.44Å; Y88-R373 PolarHBondContact OH-NH2 2.87Å; Y88-R373 VanDerWaalsContact OH-NH2 3.15Å; Y88-E391 HydrophobicContact CD2-CG 4.14Å; Y88-E391 VanDerWaalsContact CD2-OE1 3.26Å; Y88-E391 WeakPolarHBondContact CD2-OE1 3.49Å; Y88-E391 HydrophobicContact CE2-CG 4.15Å
89E92.8Very high92.3Very high140 Ų14047.6 Ų47.665%0.65424%0.236SC*.Hα-helixtrans-56.1-44.1170.1-177.9-176.9-153.900111.8Q87 L91 K92 D93 N497Q87-E89 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 2.92Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 PolarHBondContact O-N 2.76Å; E89-D93 PolarHBondContact O-N 3.32Å; E89-N497 WeakPolarHBondContact CA-OD1 3.44Å
90K92.5Very high92.2Very high132 Ų13251.9 Ų51.957%0.57426%0.263SS*.Hα-helixtrans-68.9-31.4176.7-68.4178.3178.6168.40112.3Q87 Y88 V94Q87-K90 HydrophobicContact CB-CD 4.34Å; Q87-K90 PolarHBondContact O-N 2.95Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; Q87-K90 VanDerWaalsContact OE1-CE 3.3Å; Y88-K90 VanDerWaalsContact C-N 3.31Å; Y88-K90 PolarHBondContact O-N 3.04Å; K90-V94 WeakPolarHBondContact O-CG2 3.31Å; K90-V94 PolarHBondContact O-N 3.07Å
91L92.8Very high92.1Very high15 Ų1553.1 Ų53.18%0.07927%0.273CS..Hα-helixtrans-70.9-37.3173.6-170.357.2000110.9A85 Y88 E89 V94 D95A85-L91 HydrophobicContact CB-CD2 4.4Å; Y88-L91 HydrophobicContact CD1-CD2 4.01Å; Y88-L91 HydrophobicContact CE1-CD2 4.22Å; Y88-L91 PolarHBondContact O-N 3.09Å; Y88-L91 VanDerWaalsContact O-N 3.16Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 2.92Å; L91-V94 PolarHBondContact O-N 2.7Å; L91-D95 WeakPolarHBondContact O-CB 3.43Å; L91-D95 VanDerWaalsContact O-CG 3.27Å; L91-D95 PolarHBondContact O-N 3Å
92K94.8Very high91.9Very high38 Ų3856.5 Ų56.517%0.16530%0.304CS..Hα-helixtrans-61-45.9173.3-174.4-170.8173178.40112.3Y88 E89 V94 D95 E96 N497 L498Y88-K92 PolarHBondContact O-N 3.12Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 PolarHBondContact O-N 2.76Å; K92-V94 VanDerWaalsContact C-N 3.35Å; K92-V94 PolarHBondContact O-N 2.67Å; K92-D95 PolarHBondContact O-N 3.22Å; K92-E96 VanDerWaalsContact CE-OE1 3.3Å; K92-E96 WeakPolarHBondContact CE-OE1 3.48Å; K92-E96 WeakPolarHBondContact O-CB 3.43Å; K92-E96 PolarHBondContact O-N 3.32Å; K92-N497 WeakPolarHBondContact CB-O 3.49Å; K92-N497 WeakPolarHBondContact CG-O 3.45Å; K92-L498 WeakPolarHBondContact CE-O 3.16Å
93D94.8Very high91.8Very high76 Ų7660.2 Ų60.241%0.40632%0.324SS..Hα-helixtrans-57.6-46.9173.9171.169.1000111.6E89 E96 R97E89-D93 PolarHBondContact O-N 3.32Å; D93-E96 PolarHBondContact O-N 3.24Å; D93-R97 VanDerWaalsContact CG-CD 3.41Å; D93-R97 WeakPolarHBondContact O-CB 3.41Å; D93-R97 WeakPolarHBondContact O-CD 3.4Å; D93-R97 WeakPolarHBondContact O-CG 3.42Å; D93-R97 PolarHBondContact O-N 3.01Å; D93-R97 WeakPolarHBondContact OD1-CD 3.5Å; D93-R97 VanDerWaalsContact OD2-CD 3.23Å; D93-R97 WeakPolarHBondContact OD2-CD 3.45Å; D93-R97 IonicContact OD2-CZ 3.98Å; D93-R97 IonicContact OD2-NE 2.67Å; D93-R97 IonicContact OD2-NH1 3.11Å; D93-R97 PolarHBondContact OD2-NH1 3.45Å
94V93Very high91.7Very high12 Ų1265.1 Ų65.17%0.07335%0.35CS..Hα-helixtrans-64-43.9178.2168.50000111.8K90 L91 K92 R97 I98 Q114K90-V94 WeakPolarHBondContact O-CG2 3.31Å; K90-V94 PolarHBondContact O-N 3.07Å; L91-V94 PolarHBondContact O-N 2.7Å; K92-V94 VanDerWaalsContact C-N 3.35Å; K92-V94 PolarHBondContact O-N 2.67Å; V94-R97 PolarHBondContact O-N 3.35Å; V94-I98 HydrophobicContact CG1-CD1 3.66Å; V94-I98 HydrophobicContact CG1-CG1 4.44Å; V94-I98 WeakPolarHBondContact O-CB 3.48Å; V94-I98 VanDerWaalsContact O-CG1 3.22Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.05Å; V94-Q114 HydrophobicContact CG1-CG 4.03Å
95D94.4Very high91.8Very high5 Ų565.7 Ų65.73%0.02736%0.357CS..Hα-helixtrans-65-42.5177-70.5-23.7000111.1H78 L91 K92 F99H78-D95 IonicContact CD2-OD1 3.14Å; H78-D95 IonicContact CE1-OD1 3.98Å; H78-D95 IonicContact NE2-OD1 3.8Å; H78-D95 PolarHBondContact NE2-OD1 2.94Å; H78-D95 IonicContact NE2-OD2 3.93Å; L91-D95 WeakPolarHBondContact O-CB 3.43Å; L91-D95 VanDerWaalsContact O-CG 3.27Å; L91-D95 PolarHBondContact O-N 3Å; K92-D95 PolarHBondContact O-N 3.22Å; D95-F99 WeakPolarHBondContact O-CB 3.22Å; D95-F99 PolarHBondContact O-N 3.26Å
96E95.8Very high92.2Very high36 Ų3666.5 Ų66.517%0.16836%0.358CS..Hα-helixtrans-60-47.3173.1-86.4-170.6-139.700111.8K92 D93 F99 T100 S499 K501 V502K92-E96 VanDerWaalsContact CE-OE1 3.3Å; K92-E96 WeakPolarHBondContact CE-OE1 3.48Å; K92-E96 WeakPolarHBondContact O-CB 3.43Å; K92-E96 PolarHBondContact O-N 3.32Å; D93-E96 PolarHBondContact O-N 3.24Å; E96-F99 PolarHBondContact O-N 3.17Å; E96-T100 WeakPolarHBondContact O-CB 3.34Å; E96-T100 WeakPolarHBondContact O-CG2 3.2Å; E96-T100 PolarHBondContact O-N 2.96Å; E96-T100 PolarHBondContact O-OG1 3.48Å; E96-S499 VanDerWaalsContact CG-OG 3.26Å; E96-S499 WeakPolarHBondContact CG-OG 3.39Å; E96-S499 WeakPolarHBondContact OE1-CB 3.38Å; E96-S499 PolarHBondContact OE1-OG 2.92Å; E96-K501 IonicContact OE2-NZ 2.76Å; E96-K501 PolarHBondContact OE2-NZ 3.02Å; E96-V502 HydrophobicContact CB-CG2 4.22Å; E96-V502 HydrophobicContact CG-CG2 3.63Å
97R95.8Very high92.8Very high110 Ų11061 Ų6142%0.41533%0.325SS..Hα-helixtrans-69-33.8-178.9-71.4163.160.4-166.83.6113.4D93 V94 A101 I110D93-R97 VanDerWaalsContact CG-CD 3.41Å; D93-R97 WeakPolarHBondContact O-CB 3.41Å; D93-R97 WeakPolarHBondContact O-CD 3.4Å; D93-R97 WeakPolarHBondContact O-CG 3.42Å; D93-R97 PolarHBondContact O-N 3.01Å; D93-R97 WeakPolarHBondContact OD1-CD 3.5Å; D93-R97 VanDerWaalsContact OD2-CD 3.23Å; D93-R97 WeakPolarHBondContact OD2-CD 3.45Å; D93-R97 IonicContact OD2-CZ 3.98Å; D93-R97 IonicContact OD2-NE 2.67Å; D93-R97 IonicContact OD2-NH1 3.11Å; D93-R97 PolarHBondContact OD2-NH1 3.45Å; V94-R97 PolarHBondContact O-N 3.35Å; R97-A101 PolarHBondContact O-N 2.79Å; R97-I110 HydrophobicContact CB-CD1 4.24Å; R97-I110 HydrophobicContact CB-CG2 4.27Å; R97-I110 WeakPolarHBondContact O-CD1 3.33Å
98I94.6Very high93.1Very high11 Ų1158.8 Ų58.86%0.05632%0.315CS..Hα-helixtrans-71-36.1173.6-67.8167.9000110.9W74 V94 I110 R111W74-I98 HydrophobicContact CH2-CD1 3.94Å; W74-I98 HydrophobicContact CZ2-CD1 3.84Å; V94-I98 HydrophobicContact CG1-CD1 3.66Å; V94-I98 HydrophobicContact CG1-CG1 4.44Å; V94-I98 WeakPolarHBondContact O-CB 3.48Å; V94-I98 VanDerWaalsContact O-CG1 3.22Å; V94-I98 WeakPolarHBondContact O-CG1 3.38Å; V94-I98 PolarHBondContact O-N 3.05Å; I98-I110 HydrophobicContact CD1-CG2 4.29Å; I98-I110 HydrophobicContact CG1-CB 4.04Å; I98-I110 HydrophobicContact CG1-CG2 3.58Å; I98-R111 HydrophobicContact CD1-CG 3.89Å; I98-R111 HydrophobicContact CG1-CG 4.35Å
99F94.2Very high93.3Very high73 Ų7365.5 Ų65.532%0.3234%0.34SS..Hα-helixtrans-74.2-36.2178.9-174.4-99.6000113.2D95 E96 K501 V502 N503 Y504D95-F99 WeakPolarHBondContact O-CB 3.22Å; D95-F99 PolarHBondContact O-N 3.26Å; E96-F99 PolarHBondContact O-N 3.17Å; F99-K501 WeakPolarHBondContact CE1-O 3.37Å; F99-V502 HydrophobicContact CB-CB 4.38Å; F99-V502 HydrophobicContact CB-CG1 3.94Å; F99-V502 HydrophobicContact CB-CG2 3.94Å; F99-V502 HydrophobicContact CD1-CG2 4.42Å; F99-V502 HydrophobicContact CD2-CG1 3.91Å; F99-V502 HydrophobicContact CG-CB 4.27Å; F99-V502 HydrophobicContact CG-CG1 3.94Å; F99-V502 HydrophobicContact CG-CG2 4.23Å; F99-N503 WeakPolarHBondContact CE2-O 3.48Å; F99-Y504 HydrophobicContact CB-CE2 4.37Å; F99-Y504 HydrophobicContact CD2-CD1 4.4Å; F99-Y504 HydrophobicContact CD2-CD2 4.14Å; F99-Y504 AromaticContact CD2-CE1 3.99Å; F99-Y504 HydrophobicContact CD2-CE1 3.99Å; F99-Y504 AromaticContact CD2-CE2 3.72Å; F99-Y504 HydrophobicContact CD2-CE2 3.72Å; F99-Y504 HydrophobicContact CD2-CG 4.48Å; F99-Y504 AromaticContact CD2-CZ 3.64Å
100T94.6Very high93.4Very high93 Ų9360.3 Ų60.357%0.57132%0.316SS*.SBendtrans-90.82.6-178.454.10000114.5E96 A102E96-T100 WeakPolarHBondContact O-CB 3.34Å; E96-T100 WeakPolarHBondContact O-CG2 3.2Å; E96-T100 PolarHBondContact O-N 2.96Å; E96-T100 PolarHBondContact O-OG1 3.48Å; T100-A102 PolarHBondContact O-N 3.31Å
101A93.8Very high93.5Very high26 Ų2655.7 Ų55.722%0.21530%0.295CS..  trans-61.1132.2178.900000112.1R97 N103 D106 A107 I110R97-A101 PolarHBondContact O-N 2.79Å; A101-N103 PolarHBondContact O-N 3.46Å; A101-N103 VanDerWaalsContact O-N 3.14Å; A101-D106 HydrophobicContact CB-CB 4.15Å; A101-A107 HydrophobicContact CB-CB 3.78Å; A101-I110 HydrophobicContact CB-CD1 4.29Å
102A88.3Confident93.6Very high93 Ų9356.4 Ų56.477%0.76930%0.304SS*.SBendtrans-63.8-21.8-173.500000114.5T100T100-A102 PolarHBondContact O-N 3.31Å
103N91.9Very high93.4Very high78 Ų7858.3 Ų58.342%0.41732%0.322SS..SBendtrans-157.1171.4175.759.273.1000110.8A101 A105 D106 A107A101-N103 PolarHBondContact O-N 3.46Å; A101-N103 VanDerWaalsContact O-N 3.14Å; N103-A105 VanDerWaalsContact C-N 3.31Å; N103-A105 PolarHBondContact O-N 3.31Å; N103-A105 WeakPolarHBondContact OD1-CA 3.38Å; N103-A105 WeakPolarHBondContact OD1-CB 3.36Å; N103-A105 PolarHBondContact OD1-N 3.24Å; N103-D106 PolarHBondContact ND2-OD2 2.89Å; N103-D106 PolarHBondContact O-N 3.41Å; N103-D106 PolarHBondContact OD1-N 3.05Å; N103-A107 PolarHBondContact O-N 2.84Å; N103-A107 VanDerWaalsContact O-N 3.12Å
104L90.3Very high93.4Very high113 Ų11356.2 Ų56.259%0.59231%0.309SS*.Hα-helixtrans-61.7-34.8-178.3-175.262.3000113.3A107 E108L104-A107 PolarHBondContact O-N 2.98Å; L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 2.87Å
105A92.7Very high93.4Very high59 Ų5957.3 Ų57.349%0.48832%0.318SS..Hα-helixtrans-71.8-33.7-179.300000112.5N103 R109N103-A105 VanDerWaalsContact C-N 3.31Å; N103-A105 PolarHBondContact O-N 3.31Å; N103-A105 WeakPolarHBondContact OD1-CA 3.38Å; N103-A105 WeakPolarHBondContact OD1-CB 3.36Å; N103-A105 PolarHBondContact OD1-N 3.24Å; A105-R109 WeakPolarHBondContact O-CB 3.21Å; A105-R109 PolarHBondContact O-N 2.91Å
106D94Very high93.4Very high40 Ų4057.4 Ų57.421%0.21432%0.318CS..Hα-helixtrans-67-44.1170.1-69-34.1000111.1A101 N103 E108 R109 I110A101-D106 HydrophobicContact CB-CB 4.15Å; N103-D106 PolarHBondContact ND2-OD2 2.89Å; N103-D106 PolarHBondContact O-N 3.41Å; N103-D106 PolarHBondContact OD1-N 3.05Å; D106-E108 PolarHBondContact O-N 2.9Å; D106-R109 WeakPolarHBondContact O-CB 3.48Å; D106-R109 PolarHBondContact O-N 2.92Å; D106-R109 VanDerWaalsContact O-N 3.17Å; D106-R109 IonicContact OD1-CZ 3.74Å; D106-R109 IonicContact OD1-NH1 2.76Å; D106-R109 PolarHBondContact OD1-NH1 2.91Å; D106-R109 IonicContact OD1-NH2 2.63Å; D106-R109 PolarHBondContact OD1-NH2 3.34Å; D106-I110 WeakPolarHBondContact O-CD1 3.23Å; D106-I110 WeakPolarHBondContact O-CG1 3.27Å; D106-I110 PolarHBondContact O-N 3.35Å
107A92.3Very high93.3Very high7 Ų757.1 Ų57.16%0.05832%0.318CS..Hα-helixtrans-59.5-45.1174.700000111.5A101 N103 L104 R109 I110 R111A101-A107 HydrophobicContact CB-CB 3.78Å; N103-A107 PolarHBondContact O-N 2.84Å; N103-A107 VanDerWaalsContact O-N 3.12Å; L104-A107 PolarHBondContact O-N 2.98Å; A107-R109 VanDerWaalsContact C-N 3.35Å; A107-R109 PolarHBondContact O-N 3.11Å; A107-I110 PolarHBondContact O-N 3.41Å; A107-R111 WeakPolarHBondContact O-CG 3.33Å; A107-R111 PolarHBondContact O-N 3.21Å
108E92.9Very high93.2Very high63 Ų6352 Ų5229%0.29430%0.299SS..Hα-helixtrans-62-38174.2-82.3-168.5-125.800112.9K59 L104 D106 I110 R111 A112K59-E108 IonicContact NZ-OE1 2.78Å; K59-E108 IonicContact NZ-OE2 3.61Å; K59-E108 PolarHBondContact NZ-OE2 3.36Å; L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 2.87Å; D106-E108 PolarHBondContact O-N 2.9Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.83Å; E108-R111 PolarHBondContact O-N 3.36Å; E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 3.11Å
109R94.5Very high93.2Very high156 Ų15651.5 Ų51.559%0.58930%0.296SS*.Hα-helixtrans-62.2-39.9175.2-161.1-174.4-51.8113.515.9111.6A105 D106 A107 A112 S113A105-R109 WeakPolarHBondContact O-CB 3.21Å; A105-R109 PolarHBondContact O-N 2.91Å; D106-R109 WeakPolarHBondContact O-CB 3.48Å; D106-R109 PolarHBondContact O-N 2.92Å; D106-R109 VanDerWaalsContact O-N 3.17Å; D106-R109 IonicContact OD1-CZ 3.74Å; D106-R109 IonicContact OD1-NH1 2.76Å; D106-R109 PolarHBondContact OD1-NH1 2.91Å; D106-R109 IonicContact OD1-NH2 2.63Å; D106-R109 PolarHBondContact OD1-NH2 3.34Å; A107-R109 VanDerWaalsContact C-N 3.35Å; A107-R109 PolarHBondContact O-N 3.11Å; R109-A112 PolarHBondContact O-N 2.77Å; R109-S113 PolarHBondContact O-N 3.08Å
110I94.2Very high93.3Very high30 Ų3048.8 Ų48.815%0.15429%0.285CS..Hα-helixtrans-72.4-35.7177.5-59.5157.9000111.2R97 I98 A101 D106 A107 E108 S113 Q114R97-I110 HydrophobicContact CB-CD1 4.24Å; R97-I110 HydrophobicContact CB-CG2 4.27Å; R97-I110 WeakPolarHBondContact O-CD1 3.33Å; I98-I110 HydrophobicContact CD1-CG2 4.29Å; I98-I110 HydrophobicContact CG1-CB 4.04Å; I98-I110 HydrophobicContact CG1-CG2 3.58Å; A101-I110 HydrophobicContact CB-CD1 4.29Å; D106-I110 WeakPolarHBondContact O-CD1 3.23Å; D106-I110 WeakPolarHBondContact O-CG1 3.27Å; D106-I110 PolarHBondContact O-N 3.35Å; A107-I110 PolarHBondContact O-N 3.41Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-I110 PolarHBondContact O-N 2.83Å; I110-S113 PolarHBondContact O-OG 3.43Å; I110-Q114 WeakPolarHBondContact O-CG 3.5Å; I110-Q114 PolarHBondContact O-NE2 2.98Å
111R94.7Very high93.3Very high35 Ų3544.3 Ų44.313%0.13226%0.258CS..Hα-helixtrans-63.5-45.5169.3-67.9177.6-168.9162.14.9111.3Y55 W74 I98 A107 E108 S113 Q114Y55-R111 WeakPolarHBondContact CB-O 3.3Å; Y55-R111 HydrophobicContact CD1-CB 3.78Å; Y55-R111 HydrophobicContact CE1-CB 4.06Å; W74-R111 HydrophobicContact CD2-CG 4.2Å; W74-R111 HydrophobicContact CE3-CB 4.03Å; W74-R111 HydrophobicContact CE3-CG 3.95Å; W74-R111 HydrophobicContact CH2-CB 4.04Å; W74-R111 HydrophobicContact CH2-CG 3.69Å; W74-R111 HydrophobicContact CZ2-CG 3.93Å; W74-R111 HydrophobicContact CZ3-CB 3.64Å; W74-R111 HydrophobicContact CZ3-CG 3.69Å; I98-R111 HydrophobicContact CD1-CG 3.89Å; I98-R111 HydrophobicContact CG1-CG 4.35Å; A107-R111 WeakPolarHBondContact O-CG 3.33Å; A107-R111 PolarHBondContact O-N 3.21Å; E108-R111 PolarHBondContact O-N 3.36Å; R111-S113 VanDerWaalsContact C-N 3.29Å; R111-S113 PolarHBondContact O-N 3.3Å; R111-Q114 VanDerWaalsContact O-CB 3.31Å; R111-Q114 WeakPolarHBondContact O-CB 3.4Å; R111-Q114 WeakPolarHBondContact O-CG 3.48Å; R111-Q114 PolarHBondContact O-N 3.45Å
112A93.5Very high93.4Very high31 Ų3143.1 Ų43.126%0.25625%0.248SC..Hα-helixtrans-64.5-27.1-175.200000114.2E108 R109E108-A112 WeakPolarHBondContact O-CB 3.31Å; E108-A112 PolarHBondContact O-N 3.11Å; R109-A112 PolarHBondContact O-N 2.77Å
113S92.4Very high93.8Very high77 Ų7738.7 Ų38.754%0.53821%0.211SC..THydrogen-bonded Turntrans-78.7-15.2173.7630000113.9R109 I110 R111R109-S113 PolarHBondContact O-N 3.08Å; I110-S113 PolarHBondContact O-OG 3.43Å; R111-S113 VanDerWaalsContact C-N 3.29Å; R111-S113 PolarHBondContact O-N 3.3Å
114Q94.1Very high94Very high33 Ų3335 Ų3515%0.15419%0.192CC..  trans-67.1140.5176.2-55.6-45.6-49.600111.3S54 Y55 W74 F77 L81 V94 I110 R111S54-Q114 CarbonylContact C-O 3.53Å; S54-Q114 WeakPolarHBondContact CA-O 3.19Å; Y55-Q114 PolarHBondContact N-O 3.35Å; W74-Q114 HydrophobicContact CH2-CG 4.31Å; F77-Q114 HydrophobicContact CE1-CB 3.93Å; L81-Q114 HydrophobicContact CD1-CB 4.22Å; V94-Q114 HydrophobicContact CG1-CG 4.03Å; I110-Q114 WeakPolarHBondContact O-CG 3.5Å; I110-Q114 PolarHBondContact O-NE2 2.98Å; R111-Q114 VanDerWaalsContact O-CB 3.31Å; R111-Q114 WeakPolarHBondContact O-CB 3.4Å; R111-Q114 WeakPolarHBondContact O-CG 3.48Å; R111-Q114 PolarHBondContact O-N 3.45Å
115S93.5Very high94.2Very high35 Ų3529.6 Ų29.625%0.24516%0.164CC..EExtended strand (participates in β ladder)trans-144.7146.418052.20000112.7R52 L53R52-S115 PolarHBondContact NE-OG 3.3Å; R52-S115 PolarHBondContact NH2-O 3.43Å; R52-S115 PolarHBondContact NH2-OG 3.39Å; L53-S115 CarbonylContact O-C 3.59Å; L53-S115 WeakPolarHBondContact O-CA 3.44Å; L53-S115 WeakPolarHBondContact O-CB 3.5Å
116V93.9Very high94.3Very high6 Ų627 Ų274%0.03614%0.141CC..EExtended strand (participates in β ladder)trans-125.7162-179.2650000109.5R52 L53 F77 L81 L118 F121R52-V116 CarbonylContact C-O 3.54Å; R52-V116 WeakPolarHBondContact CA-O 3.43Å; L53-V116 HydrophobicContact CB-CG1 4.3Å; L53-V116 PolarHBondContact N-O 2.92Å; L53-V116 PolarHBondContact O-N 2.82Å; F77-V116 HydrophobicContact CD2-CG1 4.4Å; F77-V116 HydrophobicContact CE2-CG1 3.64Å; F77-V116 HydrophobicContact CZ-CB 4.42Å; F77-V116 HydrophobicContact CZ-CG1 3.93Å; L81-V116 HydrophobicContact CD2-CB 3.93Å; L81-V116 HydrophobicContact CD2-CG2 4.27Å; V116-L118 PolarHBondContact O-N 2.85Å; V116-F121 HydrophobicContact CG1-CB 3.75Å; V116-F121 HydrophobicContact CG1-CD2 4.3Å; V116-F121 HydrophobicContact CG1-CG 4.12Å
117N93.2Very high94.3Very high30 Ų3025 Ų2516%0.1613%0.131CC..EExtended strand (participates in β ladder)trans-63.1127.8166.9174.3-28.2000108.5F119 T120 F121 G208N117-F119 VanDerWaalsContact C-N 3.32Å; N117-F119 PolarHBondContact O-N 3.04Å; N117-F119 WeakPolarHBondContact OD1-CB 3.25Å; N117-F119 PolarHBondContact OD1-N 2.85Å; N117-T120 WeakPolarHBondContact CB-OG1 3.23Å; N117-T120 PolarHBondContact O-N 3.35Å; N117-T120 PolarHBondContact OD1-N 2.9Å; N117-F121 PolarHBondContact O-N 3.29Å; N117-G208 PolarHBondContact ND2-O 3.12Å; N117-G208 VanDerWaalsContact ND2-O 3.11Å
118L94.5Very high94.3Very high3 Ų325.2 Ų25.22%0.01613%0.131CC..Hα-helixtrans-56-44.6-178.4170.861.4000112V40 A43 K44 S51 L53 V116 F121 V122V40-L118 HydrophobicContact CG1-CD2 4.46Å; A43-L118 HydrophobicContact CB-CD1 3.47Å; A43-L118 VanDerWaalsContact CB-CD1 3.47Å; A43-L118 HydrophobicContact CB-CD2 3.65Å; A43-L118 HydrophobicContact CB-CG 4.19Å; K44-L118 HydrophobicContact CG-CD2 4.25Å; S51-L118 WeakPolarHBondContact O-CB 3.4Å; S51-L118 PolarHBondContact O-N 3.44Å; L53-L118 HydrophobicContact CB-CB 4.26Å; L53-L118 HydrophobicContact CB-CD1 4.16Å; L53-L118 HydrophobicContact CD1-CD1 4.48Å; L53-L118 HydrophobicContact CD2-CD1 4.15Å; V116-L118 PolarHBondContact O-N 2.85Å; L118-F121 PolarHBondContact O-N 3.39Å; L118-V122 HydrophobicContact CD1-CG2 4.35Å; L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.41Å; L118-V122 PolarHBondContact O-N 3.23Å
119F94.7Very high94Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-71.1-40.7-178.6-65.7-55.2000111.4V40 S51 N117 F121 V122 L123 L190 E192 G208 A209 A212V40-F119 HydrophobicContact CG1-CE1 4.16Å; S51-F119 WeakPolarHBondContact OG-CE2 3.41Å; N117-F119 VanDerWaalsContact C-N 3.32Å; N117-F119 PolarHBondContact O-N 3.04Å; N117-F119 WeakPolarHBondContact OD1-CB 3.25Å; N117-F119 PolarHBondContact OD1-N 2.85Å; F119-F121 VanDerWaalsContact C-N 3.29Å; F119-F121 PolarHBondContact O-N 2.9Å; F119-V122 PolarHBondContact O-N 2.88Å; F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.39Å; F119-L190 HydrophobicContact CB-CD2 3.59Å; F119-L190 HydrophobicContact CD1-CD2 3.66Å; F119-L190 WeakPolarHBondContact CE1-O 3.46Å; F119-L190 HydrophobicContact CG-CD2 3.92Å; F119-E192 WeakPolarHBondContact CE2-OE1 3.09Å; F119-E192 HydrophobicContact CZ-CG 3.95Å; F119-E192 WeakPolarHBondContact CZ-OE1 3.34Å; F119-G208 WeakPolarHBondContact CD2-O 3.2Å; F119-A209 HydrophobicContact CD1-CB 4.36Å; F119-A209 HydrophobicContact CD2-CB 3.75Å; F119-A209 HydrophobicContact CE1-CB 4.48Å; F119-A209 HydrophobicContact CE2-CB 3.87Å; F119-A209 HydrophobicContact CG-CB 4.01Å; F119-A209 HydrophobicContact CZ-CB 4.25Å; F119-A212 HydrophobicContact CB-CB 3.39Å
120T95.5Very high93.6Very high16 Ų1616 Ų1610%0.0989%0.094CC..Hα-helixtrans-57.7-43.7171.6-53.50000110.8N117 F124 L215N117-T120 WeakPolarHBondContact CB-OG1 3.23Å; N117-T120 PolarHBondContact O-N 3.35Å; N117-T120 PolarHBondContact OD1-N 2.9Å; T120-F124 WeakPolarHBondContact O-CB 3.25Å; T120-F124 PolarHBondContact O-N 3.43Å; T120-L215 HydrophobicContact CG2-CB 4.23Å; T120-L215 HydrophobicContact CG2-CD1 4.38Å; T120-L215 HydrophobicContact CG2-CD2 4.03Å; T120-L215 HydrophobicContact CG2-CG 4.44Å; T120-L215 WeakPolarHBondContact O-CD2 3.05Å
121F96.1Very high92.9Very high0 Ų015.1 Ų15.10%09%0.09CC..Hα-helixtrans-70.1-35.5177.5-170.1-109.6000113.1L39 L53 W58 F77 C80 V116 N117 L118 F119 F124 L125L39-F121 HydrophobicContact CD2-CD1 4.2Å; L39-F121 HydrophobicContact CD2-CE1 4.3Å; L53-F121 HydrophobicContact CD2-CB 4.32Å; L53-F121 HydrophobicContact CD2-CD1 3.37Å; L53-F121 HydrophobicContact CD2-CE1 3.97Å; L53-F121 HydrophobicContact CD2-CG 4.06Å; W58-F121 AromaticContact CD2-CE1 3.54Å; W58-F121 HydrophobicContact CD2-CE1 3.54Å; W58-F121 AromaticContact CD2-CZ 3.81Å; W58-F121 HydrophobicContact CD2-CZ 3.81Å; W58-F121 AromaticContact CE2-CE1 3.71Å; W58-F121 AromaticContact CE2-CZ 3.51Å; W58-F121 AromaticContact CE3-CE1 3.72Å; W58-F121 HydrophobicContact CE3-CE1 3.72Å; W58-F121 HydrophobicContact CE3-CZ 4.38Å; W58-F121 HydrophobicContact CG-CE1 4.02Å; W58-F121 HydrophobicContact CG-CZ 4.16Å; W58-F121 HydrophobicContact CH2-CE1 4.2Å; W58-F121 HydrophobicContact CH2-CZ 4.4Å; W58-F121 HydrophobicContact CZ2-CE1 4.05Å; W58-F121 AromaticContact CZ2-CZ 3.84Å; W58-F121 HydrophobicContact CZ2-CZ 3.84Å; W58-F121 HydrophobicContact CZ3-CE1 4.05Å; W58-F121 AromaticContact NE1-CZ 3.66Å; F77-F121 HydrophobicContact CB-CE2 4.45Å; F77-F121 HydrophobicContact CD2-CD2 4.43Å; F77-F121 HydrophobicContact CD2-CE2 4.09Å; F77-F121 HydrophobicContact CD2-CZ 4.2Å; C80-F121 HydrophobicContact CB-CD2 3.63Å; C80-F121 HydrophobicContact CB-CE2 3.98Å; V116-F121 HydrophobicContact CG1-CB 3.75Å; V116-F121 HydrophobicContact CG1-CD2 4.3Å; V116-F121 HydrophobicContact CG1-CG 4.12Å; N117-F121 PolarHBondContact O-N 3.29Å; L118-F121 PolarHBondContact O-N 3.39Å; F119-F121 VanDerWaalsContact C-N 3.29Å; F119-F121 PolarHBondContact O-N 2.9Å; F121-F124 HydrophobicContact CD2-CD1 4.22Å; F121-F124 HydrophobicContact CE2-CD1 4.08Å; F121-F124 PolarHBondContact O-N 2.88Å; F121-L125 HydrophobicContact CD1-CD1 4Å; F121-L125 HydrophobicContact CD1-CG 4.22Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CD2 4.22Å; F121-L125 HydrophobicContact CE1-CG 3.85Å; F121-L125 HydrophobicContact CE2-CD2 4.42Å; F121-L125 HydrophobicContact CE2-CG 4.47Å; F121-L125 HydrophobicContact CZ-CD1 4.1Å; F121-L125 HydrophobicContact CZ-CD2 3.9Å; F121-L125 HydrophobicContact CZ-CG 3.98Å; F121-L125 WeakPolarHBondContact O-CG 3.41Å; F121-L125 PolarHBondContact O-N 3.21Å
122V95.5Very high92.1Very high0 Ų018.8 Ų18.80%011%0.107CC..Hα-helixtrans-64.1-44.6174.2154.40000111.7I36 L39 V40 L118 F119 L125 Y126 L189I36-V122 HydrophobicContact CG2-CB 4.16Å; I36-V122 HydrophobicContact CG2-CG1 3.72Å; I36-V122 HydrophobicContact CG2-CG2 3.98Å; L39-V122 HydrophobicContact CD2-CG2 4.4Å; V40-V122 HydrophobicContact CG2-CG1 4.42Å; V40-V122 HydrophobicContact CG2-CG2 3.79Å; L118-V122 HydrophobicContact CD1-CG2 4.35Å; L118-V122 WeakPolarHBondContact O-CB 3.36Å; L118-V122 WeakPolarHBondContact O-CG2 3.41Å; L118-V122 PolarHBondContact O-N 3.23Å; F119-V122 PolarHBondContact O-N 2.88Å; V122-L125 PolarHBondContact O-N 3.38Å; V122-Y126 WeakPolarHBondContact O-CB 3.45Å; V122-Y126 PolarHBondContact O-N 3.16Å; V122-L189 HydrophobicContact CG1-CB 4.03Å
123L95.5Very high90.5Very high0 Ų021.7 Ų21.70%012%0.117CC..Hα-helixtrans-63.9-42.8172.5-70.1170.9000111.3F119 L125 Y126 I127 M186 L190 A212 L213 L215F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.39Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 2.93Å; L123-Y126 PolarHBondContact O-N 3.48Å; L123-Y126 VanDerWaalsContact O-N 3.09Å; L123-I127 PolarHBondContact O-N 3.01Å; L123-M186 HydrophobicContact CD2-CB 4.21Å; L123-M186 HydrophobicContact CD2-CE 4.11Å; L123-L190 HydrophobicContact CD1-CD1 4.24Å; L123-L190 HydrophobicContact CD1-CD2 4.17Å; L123-L190 HydrophobicContact CD2-CD1 4.29Å; L123-L190 HydrophobicContact CD2-CD2 4.39Å; L123-L190 HydrophobicContact CD2-CG 4.38Å; L123-L190 HydrophobicContact CG-CD2 4.06Å; L123-A212 HydrophobicContact CD1-CB 3.91Å; L123-A212 WeakPolarHBondContact CD1-O 3.35Å; L123-L213 HydrophobicContact CD1-CD2 3.96Å; L123-L213 HydrophobicContact CD1-CG 4.39Å; L123-L213 HydrophobicContact CD2-CD2 4.44Å; L123-L215 HydrophobicContact CB-CD2 4.23Å
124F96Very high88.6Confident0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-58.6-41.3175.3175.4-95.9000112.9G21 L76 T79 C80 M83 T120 F121 I127 Q128 L215G21-F124 VanDerWaalsContact O-CE2 3.26Å; G21-F124 WeakPolarHBondContact O-CE2 3.37Å; G21-F124 WeakPolarHBondContact O-CZ 3.43Å; L76-F124 HydrophobicContact CB-CE1 4.42Å; L76-F124 HydrophobicContact CD2-CE1 4Å; L76-F124 WeakPolarHBondContact O-CE1 3.39Å; T79-F124 HydrophobicContact CG2-CE2 3.74Å; T79-F124 HydrophobicContact CG2-CZ 3.5Å; C80-F124 HydrophobicContact CB-CB 4.23Å; C80-F124 HydrophobicContact CB-CD1 3.63Å; C80-F124 HydrophobicContact CB-CD2 4.11Å; C80-F124 HydrophobicContact CB-CE1 4.01Å; C80-F124 HydrophobicContact CB-CE2 4.45Å; C80-F124 HydrophobicContact CB-CG 3.68Å; C80-F124 HydrophobicContact CB-CZ 4.42Å; C80-F124 VanDerWaalsContact SG-CB 3.59Å; M83-F124 HydrophobicContact CG-CE2 4.42Å; T120-F124 WeakPolarHBondContact O-CB 3.25Å; T120-F124 PolarHBondContact O-N 3.43Å; F121-F124 HydrophobicContact CD2-CD1 4.22Å; F121-F124 HydrophobicContact CE2-CD1 4.08Å; F121-F124 PolarHBondContact O-N 2.88Å; F124-I127 VanDerWaalsContact O-CG1 3.31Å; F124-I127 WeakPolarHBondContact O-CG1 3.47Å; F124-Q128 WeakPolarHBondContact O-CG 3.34Å; F124-Q128 PolarHBondContact O-NE2 3.25Å; F124-L215 HydrophobicContact CB-CD2 3.88Å
125L95Very high86.1Confident1 Ų126.3 Ų26.31%0.00514%0.141CC..Hα-helixtrans-69.2-34.7173.8-71.8-176.6000112.3L31 I36 L39 W58 L76 F121 V122 L123L31-L125 HydrophobicContact CD2-CD1 4.38Å; L31-L125 HydrophobicContact CD2-CD2 4.17Å; I36-L125 HydrophobicContact CD1-CB 3.96Å; I36-L125 HydrophobicContact CG1-CB 4.45Å; L39-L125 HydrophobicContact CD2-CD1 3.94Å; W58-L125 HydrophobicContact CH2-CD1 3.75Å; W58-L125 HydrophobicContact CH2-CD2 4.26Å; W58-L125 HydrophobicContact CZ2-CD1 4.45Å; W58-L125 HydrophobicContact CZ2-CD2 4.32Å; W58-L125 HydrophobicContact CZ3-CD1 3.93Å; L76-L125 HydrophobicContact CD1-CD2 4.28Å; L76-L125 HydrophobicContact CD2-CD2 4.28Å; F121-L125 HydrophobicContact CD1-CD1 4Å; F121-L125 HydrophobicContact CD1-CG 4.22Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CD2 4.22Å; F121-L125 HydrophobicContact CE1-CG 3.85Å; F121-L125 HydrophobicContact CE2-CD2 4.42Å; F121-L125 HydrophobicContact CE2-CG 4.47Å; F121-L125 HydrophobicContact CZ-CD1 4.1Å; F121-L125 HydrophobicContact CZ-CD2 3.9Å; F121-L125 HydrophobicContact CZ-CG 3.98Å; F121-L125 WeakPolarHBondContact O-CG 3.41Å; F121-L125 PolarHBondContact O-N 3.21Å; V122-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 2.93Å
126Y94.5Very high83.5Confident3 Ų335 Ų351%0.01217%0.168CC..Hα-helixtrans-69.3-44178.2-172.7-95.8000112.4V33 V122 L123 Q128 Q129 F178 N182 E185 M186 L189V33-Y126 HydrophobicContact CG1-CE2 4.25Å; V33-Y126 HydrophobicContact CG2-CD2 4.36Å; V33-Y126 HydrophobicContact CG2-CE2 3.75Å; V122-Y126 WeakPolarHBondContact O-CB 3.45Å; V122-Y126 PolarHBondContact O-N 3.16Å; L123-Y126 PolarHBondContact O-N 3.48Å; L123-Y126 VanDerWaalsContact O-N 3.09Å; Y126-Q128 PolarHBondContact O-N 3.09Å; Y126-Q128 VanDerWaalsContact O-N 3.13Å; Y126-Q129 WeakPolarHBondContact O-CB 3.47Å; Y126-Q129 VanDerWaalsContact O-CG 3.25Å; Y126-Q129 WeakPolarHBondContact O-CG 3.19Å; Y126-Q129 PolarHBondContact O-N 3.38Å; Y126-F178 HydrophobicContact CD1-CE1 4.31Å; Y126-F178 HydrophobicContact CD1-CZ 4.04Å; Y126-F178 HydrophobicContact CE1-CE1 4.16Å; Y126-F178 AromaticContact CE1-CZ 3.74Å; Y126-F178 HydrophobicContact CE1-CZ 3.74Å; Y126-N182 HydrophobicContact CE1-CB 3.97Å; Y126-N182 WeakPolarHBondContact OH-CB 3.22Å; Y126-N182 PolarHBondContact OH-OD1 3.43Å; Y126-E185 HydrophobicContact CE2-CB 4.26Å; Y126-E185 VanDerWaalsContact OH-CB 3.31Å; Y126-E185 WeakPolarHBondContact OH-CB 3.35Å; Y126-E185 PolarHBondContact OH-OE2 2.85Å; Y126-M186 HydrophobicContact CD1-CG 3.55Å; Y126-M186 HydrophobicContact CD1-SD 4.36Å; Y126-M186 HydrophobicContact CE1-CG 3.41Å; Y126-M186 VanDerWaalsContact CE1-CG 3.41Å; Y126-M186 HydrophobicContact CE1-SD 4.24Å; Y126-L189 HydrophobicContact CD2-CD1 3.23Å; Y126-L189 HydrophobicContact CE2-CD1 3.82Å; Y126-L189 HydrophobicContact CG-CD1 3.79Å
127I93.6Very high81Confident0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-62.6-23.7-178.663.2174.1000112.9P17 F18 I22 L123 F124 Q129 I130 F178 V216P17-I127 HydrophobicContact CB-CD1 3.99Å; F18-I127 HydrophobicContact CD1-CB 4.32Å; F18-I127 HydrophobicContact CE1-CB 3.8Å; F18-I127 HydrophobicContact CE1-CG2 3.69Å; F18-I127 HydrophobicContact CZ-CB 4.27Å; F18-I127 HydrophobicContact CZ-CG2 3.7Å; I22-I127 HydrophobicContact CD1-CB 3.96Å; I22-I127 HydrophobicContact CD1-CD1 4.11Å; I22-I127 HydrophobicContact CD1-CG1 3.95Å; I22-I127 VanDerWaalsContact CD1-O 3.31Å; I22-I127 WeakPolarHBondContact CD1-O 3.39Å; I22-I127 HydrophobicContact CG1-CD1 4.13Å; I22-I127 HydrophobicContact CG1-CG1 4.05Å; L123-I127 PolarHBondContact O-N 3.01Å; F124-I127 VanDerWaalsContact O-CG1 3.31Å; F124-I127 WeakPolarHBondContact O-CG1 3.47Å; I127-Q129 PolarHBondContact O-N 3.42Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 VanDerWaalsContact O-CG2 3.32Å; I127-I130 WeakPolarHBondContact O-CG2 3.37Å; I127-I130 PolarHBondContact O-N 2.91Å; I127-F178 HydrophobicContact CG2-CE1 4.23Å; I127-V216 HydrophobicContact CG2-CG1 3.87Å
128Q91.8Very high78.5Confident11 Ų1136.5 Ų36.55%0.05118%0.183CC..G310 helixtrans-55.9-19.9170.3-52.8-62.4-41.600113G21 L76 F124 Y126 I130G21-Q128 PolarHBondContact O-NE2 3.4Å; L76-Q128 HydrophobicContact CD2-CG 4.5Å; F124-Q128 WeakPolarHBondContact O-CG 3.34Å; F124-Q128 PolarHBondContact O-NE2 3.25Å; Y126-Q128 PolarHBondContact O-N 3.09Å; Y126-Q128 VanDerWaalsContact O-N 3.13Å; Q128-I130 PolarHBondContact O-N 2.95Å
129Q87.5Confident75.6Confident20 Ų2039.6 Ų39.69%0.09321%0.209CC..G310 helixtrans-70.3-9.9175.3-58.8-65.8-35.100114L31 Y126 I127 N131 K132L31-Q129 PolarHBondContact O-NE2 3.4Å; Y126-Q129 WeakPolarHBondContact O-CB 3.47Å; Y126-Q129 VanDerWaalsContact O-CG 3.25Å; Y126-Q129 WeakPolarHBondContact O-CG 3.19Å; Y126-Q129 PolarHBondContact O-N 3.38Å; I127-Q129 PolarHBondContact O-N 3.42Å; Q129-N131 PolarHBondContact O-N 3.07Å; Q129-K132 WeakPolarHBondContact O-CB 3.29Å; Q129-K132 PolarHBondContact O-N 2.89Å
130I86.8Confident73.2Confident4 Ų444.3 Ų44.32%0.02124%0.238CC..G310 helixtrans-60-28.7177.4-163165.4000113.3F18 I22 I127 Q128 N169 Y174 F178F18-I130 HydrophobicContact CD1-CD1 3.7Å; F18-I130 HydrophobicContact CE1-CD1 4.1Å; I22-I130 HydrophobicContact CD1-CG2 3.54Å; I22-I130 HydrophobicContact CG2-CG2 3.94Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 VanDerWaalsContact O-CG2 3.32Å; I127-I130 WeakPolarHBondContact O-CG2 3.37Å; I127-I130 PolarHBondContact O-N 2.91Å; Q128-I130 PolarHBondContact O-N 2.95Å; I130-N169 HydrophobicContact CG2-CB 3.69Å; I130-Y174 HydrophobicContact CD1-CD1 3.83Å; I130-Y174 HydrophobicContact CD1-CE1 4.28Å; I130-Y174 HydrophobicContact CG1-CD1 3.65Å; I130-Y174 HydrophobicContact CG1-CE1 3.59Å; I130-F178 HydrophobicContact CB-CD2 3.86Å; I130-F178 HydrophobicContact CB-CE2 3.98Å; I130-F178 HydrophobicContact CB-CG 4.21Å; I130-F178 HydrophobicContact CB-CZ 4.44Å; I130-F178 HydrophobicContact CD1-CB 3.72Å; I130-F178 HydrophobicContact CD1-CD1 4.33Å; I130-F178 HydrophobicContact CD1-CD2 4.26Å; I130-F178 HydrophobicContact CD1-CG 3.84Å; I130-F178 HydrophobicContact CG1-CB 4.02Å; I130-F178 HydrophobicContact CG1-CD2 3.73Å; I130-F178 HydrophobicContact CG1-CE2 4.38Å; I130-F178 HydrophobicContact CG1-CG 3.85Å
131N79.8Confident70.7Confident12 Ų1246.7 Ų46.76%0.06426%0.255CS..G310 helixtrans-93.611.7177.9-72.2-21.2000112.9F23 Q129 L166 N169F23-N131 PolarHBondContact O-ND2 3.38Å; Q129-N131 PolarHBondContact O-N 3.07Å; N131-L166 PolarHBondContact OD1-O 3.19Å; N131-N169 PolarHBondContact ND2-OD1 3.35Å; N131-N169 PolarHBondContact OD1-OD1 2.89Å
132K77.3Confident67.8Low112 Ų11250.5 Ų50.549%0.48729%0.286SS..SBendtrans-72.4130.7172-172.3-169.9-170174.80110.2P27 Q129 S134P27-K132 HydrophobicContact CG-CB 4.2Å; Q129-K132 WeakPolarHBondContact O-CB 3.29Å; Q129-K132 PolarHBondContact O-N 2.89Å; K132-S134 PolarHBondContact O-N 2.99Å; K132-S134 VanDerWaalsContact O-N 3.09Å
133I59.7Low65Low93 Ų9354.5 Ų54.548%0.47731%0.314SS..  trans-77.7102.5-177.7-61.1171.2000109.6
134S51.9Low62.2Low65 Ų6558.5 Ų58.546%0.45535%0.347SS..  trans-91107.3172.9-178.40000110.8K132 R136 A137K132-S134 PolarHBondContact O-N 2.99Å; K132-S134 VanDerWaalsContact O-N 3.09Å; S134-R136 PolarHBondContact O-N 3.13Å; S134-A137 WeakPolarHBondContact O-CB 3.32Å; S134-A137 PolarHBondContact O-N 3.24Å
135L40.9Very low59.2Low142 Ų14266.2 Ų66.274%0.74338%0.384SS*.Hα-helixtrans-61.1-27.4176.4-63.7177000112.8S138 A139L135-S138 PolarHBondContact O-N 3.33Å; L135-A139 PolarHBondContact O-N 3.33Å
136R39.1Very low56.5Low216 Ų21677 Ų7782%0.81542%0.424SS*.Hα-helixtrans-63.3-39.6172.3-84.5-174.5178151.40112.4S134 S138 A139 V140S134-R136 PolarHBondContact O-N 3.13Å; R136-S138 VanDerWaalsContact C-N 3.31Å; R136-S138 PolarHBondContact O-N 2.8Å; R136-A139 PolarHBondContact O-N 2.85Å; R136-A139 VanDerWaalsContact O-N 3.16Å; R136-V140 PolarHBondContact O-N 2.87Å; R136-V140 VanDerWaalsContact O-N 3.09Å
137A41.9Very low53.5Low26 Ų2682.9 Ų82.922%0.21546%0.463CS..Hα-helixtrans-63.2-40.1-179.600000111.3S134 A139 V140 S141S134-A137 WeakPolarHBondContact O-CB 3.32Å; S134-A137 PolarHBondContact O-N 3.24Å; A137-A139 VanDerWaalsContact C-N 3.3Å; A137-A139 PolarHBondContact O-N 3.01Å; A137-V140 PolarHBondContact O-N 3.06Å; A137-S141 PolarHBondContact O-N 3Å; A137-S141 PolarHBondContact O-OG 3.01Å
138S40Very low50.4Low43 Ų4385.9 Ų85.930%0.30149%0.494SS..Hα-helixtrans-61.9-35.8174.8-55.20000113L135 R136 A142L135-S138 PolarHBondContact O-N 3.33Å; R136-S138 VanDerWaalsContact C-N 3.31Å; R136-S138 PolarHBondContact O-N 2.8Å; S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 3.41Å
139A34.9Very low47.6Very low68 Ų6891.2 Ų91.256%0.56253%0.532SS*.Hα-helixtrans-71.2-35.7176.600000112.7L135 R136 A137L135-A139 PolarHBondContact O-N 3.33Å; R136-A139 PolarHBondContact O-N 2.85Å; R136-A139 VanDerWaalsContact O-N 3.16Å; A137-A139 VanDerWaalsContact C-N 3.3Å; A137-A139 PolarHBondContact O-N 3.01Å
140V43.4Very low44.7Very low99 Ų99101.9 Ų101.960%0.657%0.573SS**Hα-helixtrans-71.3-44.7176.6177.40000111.1R136 A137 A142 S143R136-V140 PolarHBondContact O-N 2.87Å; R136-V140 VanDerWaalsContact O-N 3.09Å; A137-V140 PolarHBondContact O-N 3.06Å; V140-A142 VanDerWaalsContact C-N 3.27Å; V140-A142 PolarHBondContact O-N 3.03Å; V140-S143 PolarHBondContact O-N 3.17Å; V140-S143 PolarHBondContact O-OG 3.2Å
141S42.8Very low42Very low66 Ų66107 Ų10746%0.46261%0.61SS.*Hα-helixtrans-57.6-39.2174.8-61.30000112.5A137 S143 A144A137-S141 PolarHBondContact O-N 3Å; A137-S141 PolarHBondContact O-OG 3.01Å; S141-S143 PolarHBondContact O-N 3.09Å; S141-S143 VanDerWaalsContact O-N 3.11Å; S141-A144 PolarHBondContact O-N 3.2Å; S141-A144 VanDerWaalsContact O-N 3.12Å
142A36.6Very low39.5Very low79 Ų79118.2 Ų118.265%0.65365%0.651SS**THydrogen-bonded Turntrans-64.9-11.1175.900000114.6S138 V140S138-A142 WeakPolarHBondContact O-CB 3.42Å; S138-A142 PolarHBondContact O-N 3.41Å; V140-A142 VanDerWaalsContact C-N 3.27Å; V140-A142 PolarHBondContact O-N 3.03Å
143S35.8Very low37.2Very low84 Ų84118.5 Ų118.559%0.58767%0.667SS**THydrogen-bonded Turntrans-95.1-9.3175.271.10000114.2V140 S141V140-S143 PolarHBondContact O-N 3.17Å; V140-S143 PolarHBondContact O-OG 3.2Å; S141-S143 PolarHBondContact O-N 3.09Å; S141-S143 VanDerWaalsContact O-N 3.11Å
144A35.9Very low35.7Very low84 Ų84119.6 Ų119.669%0.69468%0.683SS**THydrogen-bonded Turntrans-98.4-17.5-175.900000114.4S141S141-A144 PolarHBondContact O-N 3.2Å; S141-A144 VanDerWaalsContact O-N 3.12Å
145E33.4Very low34.7Very low163 Ų163125.1 Ų125.176%0.76270%0.702SS**  trans-112.167.6-174-66.2-174.8151.800112.5
146W38.9Very low34.4Very low226 Ų226126.2 Ų126.286%0.85671%0.707SS**  trans-81.9133.7160-88.589.3000110G148W146-G148 PolarHBondContact O-N 2.76Å
147P32.2Very low34.1Very low128 Ų128122.2 Ų122.283%0.83170%0.702SS**SBendtrans-74.283.5-179.230.1-35.4000111.2
148G28.7Very low33.6Very low62 Ų62126 Ų12664%0.63973%0.727SS**  trans-158.941.4-163.600000118.6W146W146-G148 PolarHBondContact O-N 2.76Å
149S31.4Very low33Very low123 Ų123128.4 Ų128.486%0.8676%0.759SS**  trans-171.8121.8150.8-87.50000113S151S149-S151 PolarHBondContact O-N 3.18Å
150Y27.5Very low32.7Very low244 Ų244136.1 Ų136.196%0.95777%0.773SS**  trans-80.1111.7174.6-79.4-95.1000111.4
151S30.7Very low32.1Very low113 Ų113136.9 Ų136.979%0.7978%0.783SS**  trans-147.487.4167.9-165.20000113.1S149S149-S151 PolarHBondContact O-N 3.18Å
152R27.5Very low31.6Very low247 Ų247139.4 Ų139.493%0.93280%0.796SS**  trans23.299.1156.2-55.1178.5-171.7176.83118
153S27.6Very low31.4Very low117 Ų117139.7 Ų139.782%0.81879%0.791SS**  180127115.4-170.50000113.6
154S29.5Very low31.4Very low116 Ų116140.9 Ų140.981%0.81179%0.79SS**  trans6150.6153.5-168.30000119
155E30.4Very low32Very low181 Ų181145.2 Ų145.285%0.84679%0.788SS**  trans-68.3142.6150-67.5-174112.400110.9
156L34.2Very low32.7Very low165 Ų165140.5 Ų140.586%0.86477%0.768SS**  trans165.596.9137.8-92.9161.5000109.9
157D32.3Very low33.6Very low132 Ų132131.2 Ų131.271%0.70674%0.737SS**SBendtrans-173.1116.2131.1-104.4-26.1000111.9
158S31.5Very low34.9Very low105 Ų105128 Ų12873%0.73471%0.709SS**  trans60.763.4149.3-55.60000119.9R160S158-R160 VanDerWaalsContact C-N 3.34Å; S158-R160 PolarHBondContact O-N 2.95Å
159G27.8Very low36.8Very low94 Ų94125.1 Ų125.197%0.96968%0.678SS**  49.534.211000000120.6
160R29.7Very low39Very low230 Ų230121.3 Ų121.387%0.86865%0.648SS**  trans-136.7128.9171.8-140.6179.8-167.3-156.53110.3S158 T162S158-R160 VanDerWaalsContact C-N 3.34Å; S158-R160 PolarHBondContact O-N 2.95Å; R160-T162 PolarHBondContact O-N 3.47Å
161S29.7Very low41.7Very low115 Ų115112.5 Ų112.580%0.80462%0.617SS**  trans-49129.8-179.6-42.80000110.9P163S161-P163 WeakPolarHBondContact O-CD 3.38Å; S161-P163 VanDerWaalsContact O-N 3.08Å
162T33Very low44.4Very low119 Ų119108.1 Ų108.173%0.7358%0.584SS**  trans-60.7109.1-174.833.30000110.7R160R160-T162 PolarHBondContact O-N 3.47Å
163P31.3Very low47.2Very low85 Ų85100.9 Ų100.955%0.55256%0.561SS**  trans-65146.917130.1-33.7000108.1S161 R165S161-P163 WeakPolarHBondContact O-CD 3.38Å; S161-P163 VanDerWaalsContact O-N 3.08Å; P163-R165 PolarHBondContact O-N 3.42Å
164I37.2Very low50.1Low109 Ų10997.4 Ų97.456%0.55953%0.53SS*.  trans-51.5108.7179.9-62.6169.1000108.5L166I164-L166 PolarHBondContact O-N 3.05Å
165R47.7Very low53Low176 Ų17692 Ų9266%0.66449%0.492SS*.  trans-59.9107.3177.6-66.5-169.1-167.4175.28.3107.8P163 R168 D171P163-R165 PolarHBondContact O-N 3.42Å; R165-R168 HydrophobicContact CB-CG 4.49Å; R165-R168 WeakPolarHBondContact O-CG 3.15Å; R165-D171 IonicContact NH1-OD2 3.7Å
166L48.2Very low56Low64 Ų6485.8 Ų85.834%0.33546%0.463SS..SBendtrans-67.7-43.2176.8-116.375.9000111N131 I164 R168 L471N131-L166 PolarHBondContact OD1-O 3.19Å; I164-L166 PolarHBondContact O-N 3.05Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 3.36Å; L166-R168 VanDerWaalsContact O-N 3.11Å; L166-L471 HydrophobicContact CD1-CD2 4.39Å; L166-L471 HydrophobicContact CD2-CD1 3.51Å; L166-L471 HydrophobicContact CD2-CD2 3.98Å; L166-L471 HydrophobicContact CD2-CG 4.41Å
167C56.9Low58.7Low31 Ų3182 Ų8221%0.20944%0.441CS..  trans-90.562.4-173.4-44.10000111.2Q24 N169 L170Q24-C167 HydrophobicContact CB-CB 4.47Å; Q24-C167 HydrophobicContact CG-CB 4.06Å; Q24-C167 PolarHBondContact OE1-SG 3.39Å; C167-N169 PolarHBondContact O-N 3.28Å; C167-L170 HydrophobicContact CB-CD1 4.46Å
168R60.9Low61.5Low61 Ų6176.3 Ų76.323%0.2341%0.41CS..G310 helixtrans-69-23.2178.7-56.9-174.1177-168.2-8.1112.3R165 L166 L170 D171 Y174R165-R168 HydrophobicContact CB-CG 4.49Å; R165-R168 WeakPolarHBondContact O-CG 3.15Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 PolarHBondContact O-N 3.36Å; L166-R168 VanDerWaalsContact O-N 3.11Å; R168-L170 PolarHBondContact O-N 3.12Å; R168-D171 WeakPolarHBondContact O-CB 3.4Å; R168-D171 PolarHBondContact O-N 3.09Å; R168-D171 VanDerWaalsContact O-N 3.13Å; R168-Y174 HydrophobicContact CB-CD1 3.37Å; R168-Y174 HydrophobicContact CB-CD2 4.4Å; R168-Y174 HydrophobicContact CB-CE1 3.48Å; R168-Y174 VanDerWaalsContact CB-CE1 3.48Å; R168-Y174 HydrophobicContact CB-CE2 4.49Å; R168-Y174 HydrophobicContact CB-CG 3.87Å; R168-Y174 WeakPolarHBondContact CD-OH 3.35Å; R168-Y174 HydrophobicContact CG-CD1 4.44Å; R168-Y174 HydrophobicContact CG-CE1 4.19Å; R168-Y174 PolarHBondContact NH1-OH 3.24Å
169N68Low64.4Low0 Ų071.3 Ų71.30%038%0.375CS..G310 helixtrans-65.5-3.2-179.576.4-75.3000115.9F18 I22 I130 N131 C167 H175F18-N169 PolarHBondContact O-ND2 2.72Å; I22-N169 HydrophobicContact CG2-CB 4.3Å; I130-N169 HydrophobicContact CG2-CB 3.69Å; N131-N169 PolarHBondContact ND2-OD1 3.35Å; N131-N169 PolarHBondContact OD1-OD1 2.89Å; C167-N169 PolarHBondContact O-N 3.28Å; N169-H175 PolarHBondContact O-NE2 3.16Å
170L77.5Confident67.5Low44 Ų4469.1 Ų69.123%0.2335%0.345CS..G310 helixtrans-87.8-8.2173-63.8179.1000113.6C167 R168C167-L170 HydrophobicContact CB-CD1 4.46Å; R168-L170 PolarHBondContact O-N 3.12Å
171D83.4Confident70.4Confident58 Ų5864 Ų6431%0.3133%0.33SS..  trans-104.8116.1-173.8-162.5-43.8000110.4R165 R168 Q173 Y174 H175R165-D171 IonicContact NH1-OD2 3.7Å; R168-D171 WeakPolarHBondContact O-CB 3.4Å; R168-D171 PolarHBondContact O-N 3.09Å; R168-D171 VanDerWaalsContact O-N 3.13Å; D171-Q173 PolarHBondContact O-N 3.14Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.43Å; D171-Q173 PolarHBondContact OD1-N 3.34Å; D171-Y174 WeakPolarHBondContact O-CB 3.34Å; D171-Y174 PolarHBondContact O-N 3.45Å; D171-H175 PolarHBondContact O-CD2 3.41Å; D171-H175 PolarHBondContact O-N 2.79Å; D171-H175 PolarHBondContact O-NE2 3.33Å
172E87.7Confident73.4Confident21 Ų2160.2 Ų60.210%0.09830%0.301CS..Hα-helixtrans-64.5-25-176.1-70.592.2-158.300113.1A15 Y174 H175 F176 V272 K357A15-E172 HydrophobicContact CB-CG 3.88Å; E172-Y174 VanDerWaalsContact C-N 3.29Å; E172-Y174 PolarHBondContact O-N 2.9Å; E172-H175 WeakPolarHBondContact O-CB 3.33Å; E172-H175 PolarHBondContact O-N 2.75Å; E172-F176 PolarHBondContact O-N 3.35Å; E172-V272 WeakPolarHBondContact OE2-CB 3.21Å; E172-V272 WeakPolarHBondContact OE2-CG2 3.48Å; E172-V272 PolarHBondContact OE2-N 3.45Å; E172-K357 IonicContact OE1-NZ 2.68Å; E172-K357 PolarHBondContact OE1-NZ 2.58Å
173Q86.8Confident76.3Confident96 Ų9654.6 Ų54.645%0.44927%0.266SS..Hα-helixtrans-65.7-35.8173.3-60-172.7-1.200111D171 F176 Q177 E273D171-Q173 PolarHBondContact O-N 3.14Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.43Å; D171-Q173 PolarHBondContact OD1-N 3.34Å; Q173-F176 PolarHBondContact O-N 3.14Å; Q173-Q177 PolarHBondContact O-N 2.89Å; Q173-E273 PolarHBondContact NE2-OE2 2.85Å
174Y88Confident79.2Confident43 Ų4353.5 Ų53.517%0.16926%0.256CS..Hα-helixtrans-74.9-24.5178.5-157.2-107.2000112.6I130 R168 D171 E172 F178I130-Y174 HydrophobicContact CD1-CD1 3.83Å; I130-Y174 HydrophobicContact CD1-CE1 4.28Å; I130-Y174 HydrophobicContact CG1-CD1 3.65Å; I130-Y174 HydrophobicContact CG1-CE1 3.59Å; R168-Y174 HydrophobicContact CB-CD1 3.37Å; R168-Y174 HydrophobicContact CB-CD2 4.4Å; R168-Y174 HydrophobicContact CB-CE1 3.48Å; R168-Y174 VanDerWaalsContact CB-CE1 3.48Å; R168-Y174 HydrophobicContact CB-CE2 4.49Å; R168-Y174 HydrophobicContact CB-CG 3.87Å; R168-Y174 WeakPolarHBondContact CD-OH 3.35Å; R168-Y174 HydrophobicContact CG-CD1 4.44Å; R168-Y174 HydrophobicContact CG-CE1 4.19Å; R168-Y174 PolarHBondContact NH1-OH 3.24Å; D171-Y174 WeakPolarHBondContact O-CB 3.34Å; D171-Y174 PolarHBondContact O-N 3.45Å; E172-Y174 VanDerWaalsContact C-N 3.29Å; E172-Y174 PolarHBondContact O-N 2.9Å; Y174-F178 VanDerWaalsContact O-CB 3.23Å; Y174-F178 WeakPolarHBondContact O-CB 3.32Å; Y174-F178 PolarHBondContact O-N 2.86Å
175H91.5Very high81.9Confident2 Ų252.5 Ų52.51%0.00925%0.249CC..Hα-helixtrans-64.6-44.4169.7-52.5168.6000110.6P13 F18 N169 D171 E172 F178 I179P13-H175 HydrophobicContact CB-CB 3.96Å; F18-H175 WeakPolarHBondContact CB-NE2 3.26Å; F18-H175 HydrophobicContact CD2-CB 4.42Å; F18-H175 HydrophobicContact CG-CB 4.39Å; F18-H175 AromaticContact CG-CD2 3.97Å; F18-H175 AromaticContact CG-CG 3.94Å; N169-H175 PolarHBondContact O-NE2 3.16Å; D171-H175 PolarHBondContact O-CD2 3.41Å; D171-H175 PolarHBondContact O-N 2.79Å; D171-H175 PolarHBondContact O-NE2 3.33Å; E172-H175 WeakPolarHBondContact O-CB 3.33Å; E172-H175 PolarHBondContact O-N 2.75Å; H175-F178 PolarHBondContact O-N 3.33Å; H175-I179 PolarHBondContact O-N 3.47Å
176F91.6Very high84.1Confident52 Ų5244.2 Ų44.223%0.22822%0.218CC..Hα-helixtrans-63.1-47.6176.1176.2-93000112.2P13 E172 Q173 F178 I179 S180 L265 T266 Q267P13-F176 HydrophobicContact CG-CB 3.99Å; P13-F176 HydrophobicContact CG-CD2 4.32Å; E172-F176 PolarHBondContact O-N 3.35Å; Q173-F176 PolarHBondContact O-N 3.14Å; F176-F178 PolarHBondContact O-N 3.03Å; F176-I179 PolarHBondContact O-N 2.93Å; F176-S180 VanDerWaalsContact O-CB 3.3Å; F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 3.07Å; F176-L265 HydrophobicContact CD2-CD2 4.46Å; F176-L265 HydrophobicContact CD2-CG 4.26Å; F176-L265 HydrophobicContact CE2-CD2 4.17Å; F176-L265 HydrophobicContact CE2-CG 3.88Å; F176-T266 VanDerWaalsContact CD2-O 3.26Å; F176-T266 WeakPolarHBondContact CD2-O 3.2Å; F176-T266 VanDerWaalsContact CE2-C 3.42Å; F176-T266 WeakPolarHBondContact CE2-O 3.44Å; F176-Q267 HydrophobicContact CD1-CG 4.46Å; F176-Q267 HydrophobicContact CD2-CG 4.4Å; F176-Q267 HydrophobicContact CG-CG 4.28Å
177Q91.2Very high86.2Confident86 Ų8641.1 Ų41.140%0.40220%0.202SC..Hα-helixtrans-57.9-49.1175.3-176.8175.66.900111.2Q173 I179 S180 E181Q173-Q177 PolarHBondContact O-N 2.89Å; Q177-I179 PolarHBondContact O-N 3.46Å; Q177-S180 PolarHBondContact O-N 3.18Å; Q177-E181 HydrophobicContact CG-CG 4.32Å; Q177-E181 VanDerWaalsContact CG-OE1 3.26Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.49Å; Q177-E181 PolarHBondContact NE2-OE1 2.82Å; Q177-E181 WeakPolarHBondContact O-CB 3.31Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 2.77Å
178F91.5Very high87.9Confident12 Ų1241.6 Ų41.65%0.05320%0.202CC..Hα-helixtrans-58.3-49.4-180179.5-93.8000112F18 Y126 I127 I130 Y174 H175 F176 N182 M186F18-F178 AromaticContact CE1-CD1 3.76Å; F18-F178 HydrophobicContact CE1-CD1 3.76Å; F18-F178 HydrophobicContact CE1-CE1 4.12Å; F18-F178 HydrophobicContact CZ-CD1 4.34Å; Y126-F178 HydrophobicContact CD1-CE1 4.31Å; Y126-F178 HydrophobicContact CD1-CZ 4.04Å; Y126-F178 HydrophobicContact CE1-CE1 4.16Å; Y126-F178 AromaticContact CE1-CZ 3.74Å; Y126-F178 HydrophobicContact CE1-CZ 3.74Å; I127-F178 HydrophobicContact CG2-CE1 4.23Å; I130-F178 HydrophobicContact CB-CD2 3.86Å; I130-F178 HydrophobicContact CB-CE2 3.98Å; I130-F178 HydrophobicContact CB-CG 4.21Å; I130-F178 HydrophobicContact CB-CZ 4.44Å; I130-F178 HydrophobicContact CD1-CB 3.72Å; I130-F178 HydrophobicContact CD1-CD1 4.33Å; I130-F178 HydrophobicContact CD1-CD2 4.26Å; I130-F178 HydrophobicContact CD1-CG 3.84Å; I130-F178 HydrophobicContact CG1-CB 4.02Å; I130-F178 HydrophobicContact CG1-CD2 3.73Å; I130-F178 HydrophobicContact CG1-CE2 4.38Å; I130-F178 HydrophobicContact CG1-CG 3.85Å; Y174-F178 VanDerWaalsContact O-CB 3.23Å; Y174-F178 WeakPolarHBondContact O-CB 3.32Å; Y174-F178 PolarHBondContact O-N 2.86Å; H175-F178 PolarHBondContact O-N 3.33Å; F176-F178 PolarHBondContact O-N 3.03Å; F178-N182 VanDerWaalsContact O-CB 3.25Å; F178-N182 WeakPolarHBondContact O-CB 3.3Å; F178-N182 PolarHBondContact O-N 3.38Å; F178-N182 PolarHBondContact O-ND2 3.46Å; F178-M186 HydrophobicContact CE1-SD 4.45Å
179I92.9Very high89.4Confident0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-63.2-48.2177.7-66.3-172.1000110.7P13 F18 H175 F176 Q177 E181 N182 L183 V216 L217 L265P13-I179 HydrophobicContact CB-CD1 3.75Å; P13-I179 HydrophobicContact CG-CD1 4.09Å; F18-I179 HydrophobicContact CE2-CD1 4.13Å; F18-I179 HydrophobicContact CZ-CD1 3.95Å; F18-I179 HydrophobicContact CZ-CG1 3.99Å; H175-I179 PolarHBondContact O-N 3.47Å; F176-I179 PolarHBondContact O-N 2.93Å; Q177-I179 PolarHBondContact O-N 3.46Å; I179-E181 VanDerWaalsContact C-N 3.34Å; I179-E181 PolarHBondContact O-N 3.07Å; I179-N182 PolarHBondContact O-N 3.1Å; I179-L183 HydrophobicContact CG2-CD1 4.44Å; I179-L183 WeakPolarHBondContact O-CA 3.36Å; I179-L183 VanDerWaalsContact O-CB 3.23Å; I179-L183 WeakPolarHBondContact O-CB 3.49Å; I179-L183 PolarHBondContact O-N 2.98Å; I179-V216 HydrophobicContact CD1-CB 4.33Å; I179-L217 HydrophobicContact CD1-CD2 4.05Å; I179-L217 HydrophobicContact CG2-CD2 4.41Å; I179-L265 HydrophobicContact CG2-CD2 4Å
180S92.2Very high90.6Very high48 Ų4838.7 Ų38.734%0.33619%0.191SC..Hα-helixtrans-58.2-43.8-176.4-171.30000113.1F176 Q177 R262F176-S180 VanDerWaalsContact O-CB 3.3Å; F176-S180 WeakPolarHBondContact O-CB 3.33Å; F176-S180 PolarHBondContact O-N 3.07Å; Q177-S180 PolarHBondContact O-N 3.18Å; S180-R262 PolarHBondContact O-NH2 3.04Å
181E91.4Very high91.2Very high122 Ų12236.8 Ų36.857%0.5718%0.181SC*.Hα-helixtrans-69-44.4176.7-70.7177.8-175.900112.4Q177 I179Q177-E181 HydrophobicContact CG-CG 4.32Å; Q177-E181 VanDerWaalsContact CG-OE1 3.26Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.49Å; Q177-E181 PolarHBondContact NE2-OE1 2.82Å; Q177-E181 WeakPolarHBondContact O-CB 3.31Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 2.77Å; I179-E181 VanDerWaalsContact C-N 3.34Å; I179-E181 PolarHBondContact O-N 3.07Å
182N92.8Very high91.2Very high35 Ų3535.1 Ų35.119%0.18717%0.172CC..Hα-helixtrans-99.5-4.4-166.4-62.2-93000114.5Y126 F178 I179 N184 E185 M186Y126-N182 HydrophobicContact CE1-CB 3.97Å; Y126-N182 WeakPolarHBondContact OH-CB 3.22Å; Y126-N182 PolarHBondContact OH-OD1 3.43Å; F178-N182 VanDerWaalsContact O-CB 3.25Å; F178-N182 WeakPolarHBondContact O-CB 3.3Å; F178-N182 PolarHBondContact O-N 3.38Å; F178-N182 PolarHBondContact O-ND2 3.46Å; I179-N182 PolarHBondContact O-N 3.1Å; N182-N184 PolarHBondContact O-N 3.48Å; N182-E185 PolarHBondContact O-N 3.4Å; N182-M186 PolarHBondContact O-N 2.81Å
183L93.6Very high90.9Very high1 Ų136 Ų361%0.00518%0.179CC..Hα-helixtrans-50.6-37-174.2-177.862.6000114.1I179 M186 L187 L258 I261 R262I179-L183 HydrophobicContact CG2-CD1 4.44Å; I179-L183 WeakPolarHBondContact O-CA 3.36Å; I179-L183 VanDerWaalsContact O-CB 3.23Å; I179-L183 WeakPolarHBondContact O-CB 3.49Å; I179-L183 PolarHBondContact O-N 2.98Å; L183-M186 PolarHBondContact O-N 3.45Å; L183-L187 HydrophobicContact CD1-CD1 4.45Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 4.37Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 3.06Å; L183-L258 HydrophobicContact CB-CD1 4.3Å; L183-L258 HydrophobicContact CD2-CD1 3.74Å; L183-L258 HydrophobicContact CG-CD1 3.76Å; L183-I261 HydrophobicContact CD1-CD1 4.12Å; L183-I261 HydrophobicContact CD1-CG2 4.27Å; L183-I261 HydrophobicContact CD2-CB 3.88Å; L183-I261 HydrophobicContact CD2-CD1 4.43Å; L183-I261 HydrophobicContact CD2-CG2 3.51Å; L183-R262 HydrophobicContact CD2-CG 3.95Å
184N92.9Very high90.4Very high62 Ų6238 Ų3833%0.33219%0.193SC..Hα-helixtrans-66.9-39.5179-17185.2000112.6N182 D188 L258N182-N184 PolarHBondContact O-N 3.48Å; N184-D188 WeakPolarHBondContact O-CB 3.39Å; N184-D188 PolarHBondContact O-N 2.67Å; N184-L258 HydrophobicContact CB-CD1 4.38Å; N184-L258 HydrophobicContact CB-CD2 4.4Å; N184-L258 WeakPolarHBondContact OD1-CD2 3.23Å
185E92.2Very high89.6Confident89 Ų8938.4 Ų38.442%0.41620%0.198SC..Hα-helixtrans-70-36.7173.1-70.2-173.2-158.500111.5Y126 N182 L187 D188 L189Y126-E185 HydrophobicContact CE2-CB 4.26Å; Y126-E185 VanDerWaalsContact OH-CB 3.31Å; Y126-E185 WeakPolarHBondContact OH-CB 3.35Å; Y126-E185 PolarHBondContact OH-OE2 2.85Å; N182-E185 PolarHBondContact O-N 3.4Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 2.8Å; E185-D188 PolarHBondContact O-N 3.37Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 WeakPolarHBondContact O-CG 3.2Å; E185-L189 PolarHBondContact O-N 3.09Å
186M94.1Very high88.3Confident1 Ų142.9 Ų42.91%0.00522%0.219CC..Hα-helixtrans-60.8-42175.1-66.71756700111.6L123 Y126 F178 N182 L183 L190 V216L123-M186 HydrophobicContact CD2-CB 4.21Å; L123-M186 HydrophobicContact CD2-CE 4.11Å; Y126-M186 HydrophobicContact CD1-CG 3.55Å; Y126-M186 HydrophobicContact CD1-SD 4.36Å; Y126-M186 HydrophobicContact CE1-CG 3.41Å; Y126-M186 VanDerWaalsContact CE1-CG 3.41Å; Y126-M186 HydrophobicContact CE1-SD 4.24Å; F178-M186 HydrophobicContact CE1-SD 4.45Å; N182-M186 PolarHBondContact O-N 2.81Å; L183-M186 PolarHBondContact O-N 3.45Å; M186-L190 WeakPolarHBondContact O-CG 3.23Å; M186-V216 HydrophobicContact CE-CB 4.4Å; M186-V216 HydrophobicContact CE-CG1 4.41Å; M186-V216 HydrophobicContact CE-CG2 3.94Å
187L93.9Very high86.8Confident0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-74.1-38.3175.9-63.6179.9000112.7L183 E185 L189 L190 V191 L205 L213 L254 L257 L258 I261L183-L187 HydrophobicContact CD1-CD1 4.45Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 4.37Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 3.06Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 2.8Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.24Å; L187-L190 HydrophobicContact CD2-CD1 4.25Å; L187-L190 WeakPolarHBondContact O-CB 3.32Å; L187-L190 PolarHBondContact O-N 2.83Å; L187-V191 PolarHBondContact O-N 2.83Å; L187-L205 HydrophobicContact CB-CD1 4.4Å; L187-L205 HydrophobicContact CD2-CD1 3.92Å; L187-L213 HydrophobicContact CD2-CD1 3.86Å; L187-L213 HydrophobicContact CD2-CD2 4.36Å; L187-L254 HydrophobicContact CB-CD1 3.97Å; L187-L254 HydrophobicContact CB-CG 4.15Å; L187-L257 HydrophobicContact CD2-CD2 4.34Å; L187-L258 HydrophobicContact CD1-CB 3.79Å; L187-L258 HydrophobicContact CD1-CD1 4.02Å; L187-L258 HydrophobicContact CD1-CG 4.5Å; L187-I261 HydrophobicContact CD1-CD1 4.39Å; L187-I261 HydrophobicContact CD2-CD1 4.46Å
188D92.4Very high85.2Confident41 Ų4143.4 Ų43.422%0.21925%0.254CS..Hα-helixtrans-63.2-30.7176177.366.9000113K37 N184 E185 L190 V191K37-D188 WeakPolarHBondContact CE-O 3.38Å; K37-D188 PolarHBondContact NZ-O 3.13Å; K37-D188 IonicContact NZ-OD1 2.82Å; K37-D188 PolarHBondContact NZ-OD1 2.87Å; K37-D188 IonicContact NZ-OD2 3.71Å; K37-D188 PolarHBondContact NZ-OD2 3.26Å; N184-D188 WeakPolarHBondContact O-CB 3.39Å; N184-D188 PolarHBondContact O-N 2.67Å; E185-D188 PolarHBondContact O-N 3.37Å; D188-L190 PolarHBondContact O-N 3.03Å; D188-V191 PolarHBondContact O-N 2.7Å
189L92.2Very high83.9Confident0 Ų047.8 Ų47.80%028%0.278CS..THydrogen-bonded Turntrans-69.3-19.3171.8-79.6176.8000114.2V33 I36 K37 V122 Y126 E185 L187V33-L189 HydrophobicContact CG1-CD1 4.11Å; V33-L189 HydrophobicContact CG1-CD2 3.92Å; V33-L189 HydrophobicContact CG1-CG 4.08Å; I36-L189 HydrophobicContact CB-CD2 4.18Å; I36-L189 HydrophobicContact CG2-CD1 4.3Å; I36-L189 HydrophobicContact CG2-CD2 4.09Å; K37-L189 HydrophobicContact CB-CD2 3.8Å; K37-L189 HydrophobicContact CG-CD2 4.23Å; V122-L189 HydrophobicContact CG1-CB 4.03Å; Y126-L189 HydrophobicContact CD2-CD1 3.23Å; Y126-L189 HydrophobicContact CE2-CD1 3.82Å; Y126-L189 HydrophobicContact CG-CD1 3.79Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 WeakPolarHBondContact O-CG 3.2Å; E185-L189 PolarHBondContact O-N 3.09Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 PolarHBondContact O-N 3.24Å
190L92.8Very high82.4Confident0 Ų050.7 Ų50.70%030%0.298CS..THydrogen-bonded Turntrans-91-11.6178.5-67.1176.3000113.1F119 L123 M186 L187 D188 E192 L205 A209 L213F119-L190 HydrophobicContact CB-CD2 3.59Å; F119-L190 HydrophobicContact CD1-CD2 3.66Å; F119-L190 WeakPolarHBondContact CE1-O 3.46Å; F119-L190 HydrophobicContact CG-CD2 3.92Å; L123-L190 HydrophobicContact CD1-CD1 4.24Å; L123-L190 HydrophobicContact CD1-CD2 4.17Å; L123-L190 HydrophobicContact CD2-CD1 4.29Å; L123-L190 HydrophobicContact CD2-CD2 4.39Å; L123-L190 HydrophobicContact CD2-CG 4.38Å; L123-L190 HydrophobicContact CG-CD2 4.06Å; M186-L190 WeakPolarHBondContact O-CG 3.23Å; L187-L190 HydrophobicContact CD2-CD1 4.25Å; L187-L190 WeakPolarHBondContact O-CB 3.32Å; L187-L190 PolarHBondContact O-N 2.83Å; D188-L190 PolarHBondContact O-N 3.03Å; L190-E192 PolarHBondContact O-N 2.85Å; L190-L205 HydrophobicContact CB-CD2 3.72Å; L190-A209 HydrophobicContact CB-CB 4.25Å; L190-L213 HydrophobicContact CD1-CD1 4.32Å; L190-L213 HydrophobicContact CD1-CD2 3.96Å; L190-L213 HydrophobicContact CD1-CG 4.02Å
191V90.1Very high80.9Confident3 Ų351.9 Ų51.92%0.01830%0.299CS..  trans-68117.9179.3-179.10000110.6L187 D188 N195 Q196 A203 L205 L254L187-V191 PolarHBondContact O-N 2.83Å; D188-V191 PolarHBondContact O-N 2.7Å; V191-N195 HydrophobicContact CG1-CB 4.29Å; V191-Q196 HydrophobicContact CG1-CG 3.61Å; V191-Q196 PolarHBondContact O-NE2 2.83Å; V191-A203 HydrophobicContact CG1-CB 3.81Å; V191-A203 HydrophobicContact CG2-CB 4.05Å; V191-L205 HydrophobicContact CB-CD2 4.41Å; V191-L205 HydrophobicContact CG2-CD2 3.77Å; V191-L254 HydrophobicContact CG2-CD1 3.44Å; V191-L254 VanDerWaalsContact CG2-CD1 3.44Å
192E84.4Confident80.1Confident24 Ų2450.6 Ų50.611%0.11230%0.296CS..  trans-60.1144.2175.4-53.2-135169.900110.8K44 F119 L190 D194 N195 S206K44-E192 VanDerWaalsContact CE-OE2 3.27Å; K44-E192 WeakPolarHBondContact CE-OE2 3.45Å; K44-E192 IonicContact NZ-OE1 2.61Å; K44-E192 PolarHBondContact NZ-OE1 2.97Å; K44-E192 IonicContact NZ-OE2 3.53Å; K44-E192 PolarHBondContact NZ-OE2 3.41Å; F119-E192 WeakPolarHBondContact CE2-OE1 3.09Å; F119-E192 HydrophobicContact CZ-CG 3.95Å; F119-E192 WeakPolarHBondContact CZ-OE1 3.34Å; L190-E192 PolarHBondContact O-N 2.85Å; E192-D194 PolarHBondContact O-N 2.98Å; E192-N195 HydrophobicContact CB-CB 4.33Å; E192-N195 PolarHBondContact O-N 3.13Å; E192-S206 WeakPolarHBondContact OE1-CB 3.4Å; E192-S206 PolarHBondContact OE1-OG 2.88Å
193P79.8Confident79.9Confident39 Ų3949 Ų4925%0.25329%0.289SS..G310 helixtrans-58.2-33.7-177.624.3-33.8000112.7N195 Q196P193-N195 VanDerWaalsContact C-N 3.29Å; P193-N195 PolarHBondContact O-N 3.37Å; P193-Q196 PolarHBondContact O-N 2.92Å
194D76.6Confident79.7Confident139 Ų13950.2 Ų50.274%0.74330%0.296SS*.G310 helixtrans-75.4-17.7-179.4-47.1-66.8000112.9E192E192-D194 PolarHBondContact O-N 2.98Å
195N71.8Confident79.7Confident50 Ų5047.2 Ų47.227%0.26728%0.28SS..G310 helixtrans-94.76.4178.3-67.8-3.7000113.1V191 E192 P193 S197 T204V191-N195 HydrophobicContact CG1-CB 4.29Å; E192-N195 HydrophobicContact CB-CB 4.33Å; E192-N195 PolarHBondContact O-N 3.13Å; P193-N195 VanDerWaalsContact C-N 3.29Å; P193-N195 PolarHBondContact O-N 3.37Å; N195-S197 PolarHBondContact O-N 3.33Å; N195-S197 VanDerWaalsContact O-N 3.09Å; N195-T204 WeakPolarHBondContact CB-O 3.43Å; N195-T204 PolarHBondContact ND2-O 3.19Å; N195-T204 PolarHBondContact ND2-OG1 3.34Å
196Q63.9Low79.6Confident97 Ų9744.2 Ų44.245%0.45327%0.268SS..  trans-83.783.1-179.1-68.9177.630.700111.1V191 P193V191-Q196 HydrophobicContact CG1-CG 3.61Å; V191-Q196 PolarHBondContact O-NE2 2.83Å; P193-Q196 PolarHBondContact O-N 2.92Å
197S59.5Low79.4Confident52 Ų5248.6 Ų48.636%0.36429%0.289SS..  trans-52.7147158.746.60000110.7N195 N199 A203N195-S197 PolarHBondContact O-N 3.33Å; N195-S197 VanDerWaalsContact O-N 3.09Å; S197-N199 CarbonylContact O-C 3.38Å; S197-N199 PolarHBondContact O-N 2.98Å; S197-N199 PolarHBondContact OG-O 2.89Å; S197-A203 PolarHBondContact OG-N 2.94Å
198G58.9Low79.2Confident97 Ų9749.4 Ų49.4100%130%0.297SS*.SBendtrans-58.1-15.4-179.600000114.7
199N62.8Low79.2Confident103 Ų10347.4 Ų47.455%0.55129%0.287SS*.SBendtrans-106123.2166-133.24.8000109.3S197 M201 D202S197-N199 CarbonylContact O-C 3.38Å; S197-N199 PolarHBondContact O-N 2.98Å; S197-N199 PolarHBondContact OG-O 2.89Å; N199-M201 PolarHBondContact O-N 2.99Å; N199-D202 VanDerWaalsContact CB-OD2 3.28Å; N199-D202 WeakPolarHBondContact CB-OD2 3.33Å; N199-D202 PolarHBondContact ND2-OD2 3.45Å; N199-D202 PolarHBondContact O-N 2.94Å
200S61.6Low79.2Confident62 Ų6247.4 Ų47.443%0.43429%0.287SS..G310 helixtrans-61.4-28.6-178.8169.80000113.4D202 A203S200-D202 VanDerWaalsContact C-N 3.31Å; S200-D202 PolarHBondContact O-N 3.31Å; S200-A203 WeakPolarHBondContact O-CB 3.33Å; S200-A203 PolarHBondContact O-N 3Å
201M60.5Low79.3Confident73 Ų7352 Ų5236%0.3631%0.308SS..G310 helixtrans-72.6-19.8-177.2-62.4-61.7-69.500114.6N199 R255N199-M201 PolarHBondContact O-N 2.99Å; M201-R255 HydrophobicContact CE-CB 4.29Å; M201-R255 HydrophobicContact CE-CG 3.88Å
202D75Confident79.4Confident94 Ų9451.9 Ų51.950%0.50331%0.307SS..G310 helixtrans-95.8-1.9-176.6-56.6-47000112.4N199 S200N199-D202 VanDerWaalsContact CB-OD2 3.28Å; N199-D202 WeakPolarHBondContact CB-OD2 3.33Å; N199-D202 PolarHBondContact ND2-OD2 3.45Å; N199-D202 PolarHBondContact O-N 2.94Å; S200-D202 VanDerWaalsContact C-N 3.31Å; S200-D202 PolarHBondContact O-N 3.31Å
203A88.5Confident80Confident3 Ų350.7 Ų50.73%0.02530%0.302CS..  trans-64.1154.5-178.700000113.6V191 S197 S200 L254V191-A203 HydrophobicContact CG1-CB 3.81Å; V191-A203 HydrophobicContact CG2-CB 4.05Å; S197-A203 PolarHBondContact OG-N 2.94Å; S200-A203 WeakPolarHBondContact O-CB 3.33Å; S200-A203 PolarHBondContact O-N 3Å; A203-L254 WeakPolarHBondContact O-CB 3.41Å; A203-L254 PolarHBondContact O-N 3.46Å
204T90.8Very high80.6Confident25 Ų2550 Ų5015%0.15330%0.296CS..EExtended strand (participates in β ladder)trans-120.9143.5-177.954.40000112.8N195 F252N195-T204 WeakPolarHBondContact CB-O 3.43Å; N195-T204 PolarHBondContact ND2-O 3.19Å; N195-T204 PolarHBondContact ND2-OG1 3.34Å; T204-F252 CarbonylContact C-O 3.55Å; T204-F252 WeakPolarHBondContact CA-O 3.24Å
205L91.6Very high81.5Confident0 Ų043.7 Ų43.70%026%0.262CS..EExtended strand (participates in β ladder)trans-104.5134.1177.3-61.5176.7000110.2L187 L190 V191 A251 F252 L257L187-L205 HydrophobicContact CB-CD1 4.4Å; L187-L205 HydrophobicContact CD2-CD1 3.92Å; L190-L205 HydrophobicContact CB-CD2 3.72Å; V191-L205 HydrophobicContact CB-CD2 4.41Å; V191-L205 HydrophobicContact CG2-CD2 3.77Å; L205-A251 WeakPolarHBondContact O-CA 3.48Å; L205-A251 WeakPolarHBondContact O-CB 3.34Å; L205-F252 PolarHBondContact N-O 3.47Å; L205-F252 PolarHBondContact O-N 2.78Å; L205-L257 HydrophobicContact CD1-CD2 3.86Å
206S90.9Very high82.6Confident25 Ų2541.3 Ų41.318%0.17525%0.25CC..EExtended strand (participates in β ladder)trans-75.3157.6175.856.20000111.5E192 G208 A209 V210E192-S206 WeakPolarHBondContact OE1-CB 3.4Å; E192-S206 PolarHBondContact OE1-OG 2.88Å; S206-G208 VanDerWaalsContact C-N 3.35Å; S206-G208 PolarHBondContact O-N 3.47Å; S206-A209 WeakPolarHBondContact O-CA 3.39Å; S206-A209 VanDerWaalsContact O-CB 3.32Å; S206-A209 WeakPolarHBondContact O-CB 3.23Å; S206-A209 PolarHBondContact O-N 3.47Å; S206-V210 PolarHBondContact O-N 3.44Å; S206-V210 VanDerWaalsContact O-N 3.14Å
207E89.7Confident84.1Confident93 Ų9336.8 Ų36.844%0.43523%0.228SC..Hα-helixtrans-53.3-48.3179.3-171.6171.1-163.700112.3A209 V210 E211 H235E207-A209 PolarHBondContact O-N 2.83Å; E207-A209 VanDerWaalsContact O-N 3.11Å; E207-V210 WeakPolarHBondContact O-CA 3.44Å; E207-V210 WeakPolarHBondContact O-CB 3.25Å; E207-V210 PolarHBondContact O-N 2.94Å; E207-E211 PolarHBondContact O-N 3.26Å; E207-H235 IonicContact OE1-NE2 3.71Å
208G89.7Confident85.7Confident17 Ų1734.3 Ų34.318%0.17521%0.211CC..Hα-helixtrans-68.2-7176.100000115.9N117 F119 S206 E211N117-G208 PolarHBondContact ND2-O 3.12Å; N117-G208 VanDerWaalsContact ND2-O 3.11Å; F119-G208 WeakPolarHBondContact CD2-O 3.2Å; S206-G208 VanDerWaalsContact C-N 3.35Å; S206-G208 PolarHBondContact O-N 3.47Å; G208-E211 WeakPolarHBondContact CA-OE2 3.42Å
209A91.9Very high87.3Confident0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-91.8-28.4167.500000111.9F119 L190 S206 E207 A212F119-A209 HydrophobicContact CD1-CB 4.36Å; F119-A209 HydrophobicContact CD2-CB 3.75Å; F119-A209 HydrophobicContact CE1-CB 4.48Å; F119-A209 HydrophobicContact CE2-CB 3.87Å; F119-A209 HydrophobicContact CG-CB 4.01Å; F119-A209 HydrophobicContact CZ-CB 4.25Å; L190-A209 HydrophobicContact CB-CB 4.25Å; S206-A209 WeakPolarHBondContact O-CA 3.39Å; S206-A209 VanDerWaalsContact O-CB 3.32Å; S206-A209 WeakPolarHBondContact O-CB 3.23Å; S206-A209 PolarHBondContact O-N 3.47Å; E207-A209 PolarHBondContact O-N 2.83Å; E207-A209 VanDerWaalsContact O-N 3.11Å; A209-A212 WeakPolarHBondContact O-CB 3.14Å; A209-A212 PolarHBondContact O-N 3.28Å
210V93.4Very high88.8Confident0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-72-42.2169.3165.40000111.2S206 E207 A212 L213 F230 A234 F252 L257S206-V210 PolarHBondContact O-N 3.44Å; S206-V210 VanDerWaalsContact O-N 3.14Å; E207-V210 WeakPolarHBondContact O-CA 3.44Å; E207-V210 WeakPolarHBondContact O-CB 3.25Å; E207-V210 PolarHBondContact O-N 2.94Å; V210-A212 PolarHBondContact O-N 3.11Å; V210-L213 WeakPolarHBondContact O-CB 3.36Å; V210-L213 PolarHBondContact O-N 2.99Å; V210-L213 VanDerWaalsContact O-N 3.1Å; V210-F230 HydrophobicContact CG1-CD1 4.26Å; V210-F230 HydrophobicContact CG1-CE1 4.02Å; V210-A234 HydrophobicContact CG1-CB 4.15Å; V210-F252 HydrophobicContact CB-CD2 4.37Å; V210-F252 HydrophobicContact CB-CE2 4.17Å; V210-F252 HydrophobicContact CG1-CE2 4.18Å; V210-F252 HydrophobicContact CG1-CZ 4.3Å; V210-F252 HydrophobicContact CG2-CB 4.47Å; V210-F252 HydrophobicContact CG2-CD2 3.51Å; V210-F252 HydrophobicContact CG2-CE2 3.78Å; V210-F252 HydrophobicContact CG2-CG 3.99Å; V210-F252 HydrophobicContact CG2-CZ 4.46Å; V210-L257 HydrophobicContact CG2-CD2 4.05Å
211E93.2Very high90.1Very high96 Ų9622.9 Ų22.945%0.44913%0.125SC..G310 helixtrans-51.5-37.9168-69179.5162.100112.6E207 G208 L213 D214E207-E211 PolarHBondContact O-N 3.26Å; G208-E211 WeakPolarHBondContact CA-OE2 3.42Å; E211-L213 PolarHBondContact O-N 2.93Å; E211-D214 WeakPolarHBondContact O-CB 3.19Å; E211-D214 PolarHBondContact O-N 3.05Å
212A93.8Very high91.2Very high0 Ų021.6 Ų21.60%012%0.12CC..G310 helixtrans-65.3-23.3-176.800000113.4F119 L123 A209 V210 D214 L215F119-A212 HydrophobicContact CB-CB 3.39Å; L123-A212 HydrophobicContact CD1-CB 3.91Å; L123-A212 WeakPolarHBondContact CD1-O 3.35Å; A209-A212 WeakPolarHBondContact O-CB 3.14Å; A209-A212 PolarHBondContact O-N 3.28Å; V210-A212 PolarHBondContact O-N 3.11Å; A212-D214 PolarHBondContact O-N 3.28Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.1Å
213L95.4Very high91.6Very high0 Ų023.1 Ų23.10%012%0.124CC..G310 helixtrans-70.4-17.2176.4-67.6165.3000112.6L123 L187 L190 V210 E211 L215 V216 L217 F230 L257L123-L213 HydrophobicContact CD1-CD2 3.96Å; L123-L213 HydrophobicContact CD1-CG 4.39Å; L123-L213 HydrophobicContact CD2-CD2 4.44Å; L187-L213 HydrophobicContact CD2-CD1 3.86Å; L187-L213 HydrophobicContact CD2-CD2 4.36Å; L190-L213 HydrophobicContact CD1-CD1 4.32Å; L190-L213 HydrophobicContact CD1-CD2 3.96Å; L190-L213 HydrophobicContact CD1-CG 4.02Å; V210-L213 WeakPolarHBondContact O-CB 3.36Å; V210-L213 PolarHBondContact O-N 2.99Å; V210-L213 VanDerWaalsContact O-N 3.1Å; E211-L213 PolarHBondContact O-N 2.93Å; L213-L215 PolarHBondContact O-N 3.22Å; L213-L215 VanDerWaalsContact O-N 3.09Å; L213-V216 HydrophobicContact CD2-CG2 4.11Å; L213-V216 WeakPolarHBondContact O-CG2 3.45Å; L213-V216 PolarHBondContact O-N 2.98Å; L213-L217 PolarHBondContact O-N 3.11Å; L213-F230 HydrophobicContact CB-CD1 3.53Å; L213-F230 HydrophobicContact CB-CE1 3.85Å; L213-F230 HydrophobicContact CB-CG 4.14Å; L213-F230 HydrophobicContact CD1-CD1 4.05Å; L213-F230 HydrophobicContact CD1-CE1 3.43Å; L213-F230 VanDerWaalsContact CD1-CE1 3.43Å; L213-F230 HydrophobicContact CD1-CZ 3.99Å; L213-F230 HydrophobicContact CG-CD1 4.44Å; L213-F230 HydrophobicContact CG-CE1 4.28Å; L213-L257 HydrophobicContact CD1-CD2 4.46Å
214D94.2Very high91.2Very high24 Ų2424.1 Ų24.113%0.12813%0.134CC..G310 helixtrans-58.8-19.3170.3-62.5-28.1000112.9R14 E211 A212 V216 S229 F230 S231 H328R14-D214 WeakPolarHBondContact CD-O 3.45Å; R14-D214 PolarHBondContact NH1-O 3.01Å; E211-D214 WeakPolarHBondContact O-CB 3.19Å; E211-D214 PolarHBondContact O-N 3.05Å; A212-D214 PolarHBondContact O-N 3.28Å; D214-V216 VanDerWaalsContact C-N 3.32Å; D214-S229 WeakPolarHBondContact OD1-CB 3.38Å; D214-F230 WeakPolarHBondContact OD1-CA 2.93Å; D214-F230 VanDerWaalsContact OD1-CB 3.29Å; D214-F230 WeakPolarHBondContact OD1-CB 3.13Å; D214-F230 PolarHBondContact OD1-N 3.41Å; D214-S231 VanDerWaalsContact CG-OG 3.3Å; D214-S231 PolarHBondContact OD1-N 2.89Å; D214-S231 PolarHBondContact OD1-OG 2.83Å; D214-S231 WeakPolarHBondContact OD2-CB 3.11Å; D214-S231 PolarHBondContact OD2-OG 2.97Å; D214-H328 PolarHBondContact O-NE2 3.23Å
215L94.1Very high90.8Very high6 Ų631.1 Ų31.13%0.03116%0.158CC..G310 helixtrans-63-39.4169.8-178.365.9000111.8R14 P17 M83 T120 L123 F124 A212 L213R14-L215 PolarHBondContact NH1-O 3.11Å; P17-L215 HydrophobicContact CB-CD1 4.41Å; P17-L215 HydrophobicContact CG-CD1 4.43Å; P17-L215 WeakPolarHBondContact CG-O 3.46Å; M83-L215 HydrophobicContact CB-CD1 4.24Å; T120-L215 HydrophobicContact CG2-CB 4.23Å; T120-L215 HydrophobicContact CG2-CD1 4.38Å; T120-L215 HydrophobicContact CG2-CD2 4.03Å; T120-L215 HydrophobicContact CG2-CG 4.44Å; T120-L215 WeakPolarHBondContact O-CD2 3.05Å; L123-L215 HydrophobicContact CB-CD2 4.23Å; F124-L215 HydrophobicContact CB-CD2 3.88Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.1Å; L213-L215 PolarHBondContact O-N 3.22Å; L213-L215 VanDerWaalsContact O-N 3.09Å
216V94.9Very high90.6Very high1 Ų133.5 Ų33.51%0.00617%0.173CC..THydrogen-bonded Turntrans-118-21-164.9-69.70000114.2P13 R14 F18 I127 I179 M186 L213 D214P13-V216 WeakPolarHBondContact CA-O 3.39Å; R14-V216 PolarHBondContact N-O 3.31Å; F18-V216 HydrophobicContact CE2-CB 4.39Å; F18-V216 HydrophobicContact CE2-CG1 4.23Å; F18-V216 HydrophobicContact CZ-CG1 4.29Å; I127-V216 HydrophobicContact CG2-CG1 3.87Å; I179-V216 HydrophobicContact CD1-CB 4.33Å; M186-V216 HydrophobicContact CE-CB 4.4Å; M186-V216 HydrophobicContact CE-CG1 4.41Å; M186-V216 HydrophobicContact CE-CG2 3.94Å; L213-V216 HydrophobicContact CD2-CG2 4.11Å; L213-V216 WeakPolarHBondContact O-CG2 3.45Å; L213-V216 PolarHBondContact O-N 2.98Å; D214-V216 VanDerWaalsContact C-N 3.32Å
217L95.1Very high90.6Very high1 Ų132.5 Ų32.51%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-124.8146.6178.3-67.7175.8000110.7R14 I179 L213 F230 I261 L265R14-L217 WeakPolarHBondContact CD-O 3.3Å; I179-L217 HydrophobicContact CD1-CD2 4.05Å; I179-L217 HydrophobicContact CG2-CD2 4.41Å; L213-L217 PolarHBondContact O-N 3.11Å; L217-F230 HydrophobicContact CB-CB 4.06Å; L217-F230 HydrophobicContact CB-CD2 3.88Å; L217-F230 HydrophobicContact CB-CG 4.13Å; L217-F230 HydrophobicContact CD1-CD2 3.82Å; L217-F230 HydrophobicContact CD1-CE2 3.83Å; L217-F230 HydrophobicContact CD1-CG 4.49Å; L217-F230 HydrophobicContact CD1-CZ 4.5Å; L217-I261 HydrophobicContact CD1-CD1 4.47Å; L217-I261 HydrophobicContact CD1-CG2 4.11Å; L217-L265 HydrophobicContact CD2-CD1 3.69Å
218E93.7Very high90.6Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-145.6177.6165.969.3-164.2-169.600107.5L11 W12 R14 N331L11-E218 WeakPolarHBondContact CA-O 3.16Å; W12-E218 HydrophobicContact CZ2-CG 4.1Å; W12-E218 PolarHBondContact N-O 2.68Å; W12-E218 PolarHBondContact NE1-OE1 2.89Å; W12-E218 PolarHBondContact O-N 3.12Å; R14-E218 WeakPolarHBondContact CD-OE2 3.41Å; R14-E218 HydrophobicContact CG-CB 3.88Å; R14-E218 HydrophobicContact CG-CG 3.74Å; R14-E218 WeakPolarHBondContact CG-OE2 3.28Å; R14-E218 IonicContact NE-OE2 3.68Å; R14-E218 PolarHBondContact NE-OE2 3.01Å; E218-N331 PolarHBondContact OE1-ND2 3.29Å; E218-N331 PolarHBondContact OE1-OD1 2.67Å
219G93.6Very high90.7Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-171.7-162.2177.300000114.8S10 W12 N228S10-G219 CarbonylContact O-C 3.6Å; S10-G219 WeakPolarHBondContact O-CA 3.47Å; W12-G219 VanDerWaalsContact CH2-C 3.45Å; G219-N228 PolarHBondContact N-O 3.42Å; G219-N228 PolarHBondContact O-N 3.16Å
220S92.5Very high90.8Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-150.7146174.7167.80000110.5L9 S10 D222 G224 T226L9-S220 CarbonylContact C-O 3.54Å; L9-S220 WeakPolarHBondContact CA-O 3.39Å; S10-S220 PolarHBondContact N-O 2.7Å; S10-S220 PolarHBondContact O-N 2.84Å; S220-D222 PolarHBondContact OG-N 2.89Å; S220-D222 VanDerWaalsContact OG-N 3.12Å; S220-D222 PolarHBondContact OG-OD1 3.3Å; S220-G224 VanDerWaalsContact OG-CA 3.3Å; S220-G224 WeakPolarHBondContact OG-CA 3.37Å; S220-G224 PolarHBondContact OG-N 3.4Å; S220-T226 VanDerWaalsContact CB-O 3.23Å; S220-T226 WeakPolarHBondContact CB-O 3.21Å; S220-T226 PolarHBondContact OG-O 3.49Å
221A89.1Confident90.7Very high23 Ų2330.4 Ų30.419%0.1916%0.155CC..SBendtrans-105.66172.600000113.8V7 L233 I236V7-A221 HydrophobicContact CG1-CB 4.07Å; A221-L233 HydrophobicContact CB-CD2 3.91Å; A221-I236 HydrophobicContact CB-CD1 3.92Å
222D85Confident90.7Very high45 Ų4530.6 Ų30.624%0.24116%0.156CC..BIsolated β-bridgetrans-135.130.9-167.471.9-2.6000114.4S220 G224 R225 T226S220-D222 PolarHBondContact OG-N 2.89Å; S220-D222 VanDerWaalsContact OG-N 3.12Å; S220-D222 PolarHBondContact OG-OD1 3.3Å; D222-G224 VanDerWaalsContact C-N 3.3Å; D222-G224 PolarHBondContact O-N 3.27Å; D222-G224 PolarHBondContact OD1-N 3.04Å; D222-R225 VanDerWaalsContact O-CD 3.24Å; D222-R225 WeakPolarHBondContact O-CD 3.27Å; D222-R225 VanDerWaalsContact O-CG 3.27Å; D222-R225 WeakPolarHBondContact O-CG 3.43Å; D222-R225 PolarHBondContact O-NE 2.91Å; D222-R225 VanDerWaalsContact O-NE 3.14Å; D222-R225 PolarHBondContact OD1-N 2.92Å; D222-T226 VanDerWaalsContact CG-OG1 3.23Å; D222-T226 PolarHBondContact OD1-N 3.38Å; D222-T226 PolarHBondContact OD1-OG1 3.32Å; D222-T226 WeakPolarHBondContact OD2-CB 3.16Å; D222-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D222-T226 PolarHBondContact OD2-N 2.83Å; D222-T226 PolarHBondContact OD2-OG1 3.21Å
223E82Confident90.6Very high127 Ų12730.6 Ų30.659%0.59316%0.156SC*.SBendtrans67.523.9-176.3-46.4175.2137.900114.2T8 R225T8-E223 HydrophobicContact CG2-CG 4.46Å; T8-E223 VanDerWaalsContact OG1-CG 3.25Å; T8-E223 WeakPolarHBondContact OG1-CG 3.44Å; E223-R225 IonicContact OE2-CZ 3.89Å; E223-R225 IonicContact OE2-NE 2.84Å; E223-R225 IonicContact OE2-NH2 3.5Å; E223-R225 PolarHBondContact OE2-NH2 3.41Å
224G79.9Confident90.4Very high23 Ų2330.6 Ų30.624%0.23716%0.156CC..SBendtrans87.119.5175.700000114.9S220 D222 P323S220-G224 VanDerWaalsContact OG-CA 3.3Å; S220-G224 WeakPolarHBondContact OG-CA 3.37Å; S220-G224 PolarHBondContact OG-N 3.4Å; D222-G224 VanDerWaalsContact C-N 3.3Å; D222-G224 PolarHBondContact O-N 3.27Å; D222-G224 PolarHBondContact OD1-N 3.04Å; G224-P323 WeakPolarHBondContact O-CG 3.44Å
225R82.1Confident90.3Very high172 Ų17232.1 Ų32.165%0.64916%0.163SC*.SBendtrans-83.4-33.1179.2-54.2167.3-163.5-146.92.2111.7D222 E223 P323D222-R225 VanDerWaalsContact O-CD 3.24Å; D222-R225 WeakPolarHBondContact O-CD 3.27Å; D222-R225 VanDerWaalsContact O-CG 3.27Å; D222-R225 WeakPolarHBondContact O-CG 3.43Å; D222-R225 PolarHBondContact O-NE 2.91Å; D222-R225 VanDerWaalsContact O-NE 3.14Å; D222-R225 PolarHBondContact OD1-N 2.92Å; E223-R225 IonicContact OE2-CZ 3.89Å; E223-R225 IonicContact OE2-NE 2.84Å; E223-R225 IonicContact OE2-NH2 3.5Å; E223-R225 PolarHBondContact OE2-NH2 3.41Å; R225-P323 VanDerWaalsContact O-CB 3.31Å; R225-P323 WeakPolarHBondContact O-CB 3.41Å; R225-P323 VanDerWaalsContact O-CG 3.29Å; R225-P323 WeakPolarHBondContact O-CG 3.09Å
226T87.8Confident90.1Very high51 Ų5134 Ų3431%0.31317%0.172SC..SBendtrans-117.4149.2164.956.80000109.7S220 D222S220-T226 VanDerWaalsContact CB-O 3.23Å; S220-T226 WeakPolarHBondContact CB-O 3.21Å; S220-T226 PolarHBondContact OG-O 3.49Å; D222-T226 VanDerWaalsContact CG-OG1 3.23Å; D222-T226 PolarHBondContact OD1-N 3.38Å; D222-T226 PolarHBondContact OD1-OG1 3.32Å; D222-T226 WeakPolarHBondContact OD2-CB 3.16Å; D222-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D222-T226 PolarHBondContact OD2-N 2.83Å; D222-T226 PolarHBondContact OD2-OG1 3.21Å
227L90.7Very high89.8Confident4 Ų439.2 Ų39.22%0.02121%0.206CC..BIsolated β-bridgetrans-101.6139.3168.9-57.1-174.7000108.4W12 F270 P323 G326 G327W12-L227 HydrophobicContact CH2-CD2 4.17Å; W12-L227 HydrophobicContact CZ2-CD2 3.98Å; L227-F270 HydrophobicContact CD1-CE2 4.3Å; L227-F270 HydrophobicContact CD2-CE2 3.69Å; L227-F270 HydrophobicContact CD2-CZ 3.91Å; L227-P323 HydrophobicContact CD2-CG 3.96Å; L227-P323 HydrophobicContact CG-CB 4.12Å; L227-P323 HydrophobicContact CG-CG 3.82Å; L227-G326 CarbonylContact O-C 3.51Å; L227-G326 VanDerWaalsContact O-CA 3.23Å; L227-G326 WeakPolarHBondContact O-CA 3.47Å; L227-G327 PolarHBondContact O-N 2.91Å
228N89.9Confident89.4Confident34 Ų3444.4 Ų44.418%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-124.1154.6177.5-69.5114000110.9G219 E232 L233G219-N228 PolarHBondContact N-O 3.42Å; G219-N228 PolarHBondContact O-N 3.16Å; N228-E232 WeakPolarHBondContact CA-OE2 3.45Å; N228-E232 HydrophobicContact CB-CB 4.18Å; N228-E232 VanDerWaalsContact CB-OE2 3.29Å; N228-E232 WeakPolarHBondContact CB-OE2 3.47Å; N228-E232 PolarHBondContact ND2-OE2 3.37Å; N228-L233 HydrophobicContact CB-CD1 4.02Å; N228-L233 HydrophobicContact CB-CD2 3.67Å; N228-L233 HydrophobicContact CB-CG 3.58Å
229S91.8Very high89.1Confident11 Ų1145 Ų458%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-66.2159.7163.875.20000110.1D214 S231 E232 L233D214-S229 WeakPolarHBondContact OD1-CB 3.38Å; S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 3.43Å; S229-S231 PolarHBondContact OG-OG 3.17Å; S229-E232 PolarHBondContact N-OE2 2.91Å; S229-E232 VanDerWaalsContact N-OE2 3.08Å; S229-E232 PolarHBondContact O-N 3.32Å; S229-E232 WeakPolarHBondContact OG-CB 3.28Å; S229-E232 VanDerWaalsContact OG-CG 3.24Å; S229-E232 WeakPolarHBondContact OG-CG 3.46Å; S229-E232 PolarHBondContact OG-N 2.92Å; S229-L233 WeakPolarHBondContact O-CG 3.33Å; S229-L233 PolarHBondContact O-N 3.45Å
230F93.8Very high88.8Confident0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-63.7-37.4173.2175.4-92.8000111.1L11 V210 L213 D214 L217 L233 A234 L257 W260 I261L11-F230 HydrophobicContact CD1-CD2 4.39Å; L11-F230 HydrophobicContact CD1-CE2 4.03Å; L11-F230 HydrophobicContact CD2-CD2 4.26Å; V210-F230 HydrophobicContact CG1-CD1 4.26Å; V210-F230 HydrophobicContact CG1-CE1 4.02Å; L213-F230 HydrophobicContact CB-CD1 3.53Å; L213-F230 HydrophobicContact CB-CE1 3.85Å; L213-F230 HydrophobicContact CB-CG 4.14Å; L213-F230 HydrophobicContact CD1-CD1 4.05Å; L213-F230 HydrophobicContact CD1-CE1 3.43Å; L213-F230 VanDerWaalsContact CD1-CE1 3.43Å; L213-F230 HydrophobicContact CD1-CZ 3.99Å; L213-F230 HydrophobicContact CG-CD1 4.44Å; L213-F230 HydrophobicContact CG-CE1 4.28Å; D214-F230 WeakPolarHBondContact OD1-CA 2.93Å; D214-F230 VanDerWaalsContact OD1-CB 3.29Å; D214-F230 WeakPolarHBondContact OD1-CB 3.13Å; D214-F230 PolarHBondContact OD1-N 3.41Å; L217-F230 HydrophobicContact CB-CB 4.06Å; L217-F230 HydrophobicContact CB-CD2 3.88Å; L217-F230 HydrophobicContact CB-CG 4.13Å; L217-F230 HydrophobicContact CD1-CD2 3.82Å; L217-F230 HydrophobicContact CD1-CE2 3.83Å; L217-F230 HydrophobicContact CD1-CG 4.49Å; L217-F230 HydrophobicContact CD1-CZ 4.5Å; F230-L233 PolarHBondContact O-N 3.43Å; F230-A234 WeakPolarHBondContact O-CB 3.4Å; F230-A234 PolarHBondContact O-N 3.44Å; F230-L257 HydrophobicContact CZ-CD1 4.27Å; F230-W260 HydrophobicContact CE2-CE3 4.48Å; F230-W260 HydrophobicContact CE2-CH2 4.21Å; F230-W260 AromaticContact CE2-CZ3 3.55Å; F230-W260 HydrophobicContact CE2-CZ3 3.55Å; F230-W260 HydrophobicContact CZ-CE3 4.47Å; F230-W260 AromaticContact CZ-CZ3 3.67Å; F230-W260 HydrophobicContact CZ-CZ3 3.67Å; F230-I261 HydrophobicContact CE2-CD1 4.06Å; F230-I261 HydrophobicContact CE2-CG1 3.79Å; F230-I261 HydrophobicContact CZ-CD1 3.68Å; F230-I261 HydrophobicContact CZ-CG1 3.77Å
231S92.6Very high88.5Confident20 Ų2051.1 Ų51.114%0.1428%0.279CS..Hα-helixtrans-62.2-41.8174.854.20000113.5D214 S229 H235D214-S231 VanDerWaalsContact CG-OG 3.3Å; D214-S231 PolarHBondContact OD1-N 2.89Å; D214-S231 PolarHBondContact OD1-OG 2.83Å; D214-S231 WeakPolarHBondContact OD2-CB 3.11Å; D214-S231 PolarHBondContact OD2-OG 2.97Å; S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 3.43Å; S229-S231 PolarHBondContact OG-OG 3.17Å; S231-H235 PolarHBondContact O-N 2.94Å; S231-H235 PolarHBondContact O-ND1 3.04Å
232E92.1Very high88.5Confident100 Ų10053 Ų5347%0.46730%0.295SS..Hα-helixtrans-60.6-50173.9-79167.7-179.200110.8N228 S229 A234 H235 I236N228-E232 WeakPolarHBondContact CA-OE2 3.45Å; N228-E232 HydrophobicContact CB-CB 4.18Å; N228-E232 VanDerWaalsContact CB-OE2 3.29Å; N228-E232 WeakPolarHBondContact CB-OE2 3.47Å; N228-E232 PolarHBondContact ND2-OE2 3.37Å; S229-E232 PolarHBondContact N-OE2 2.91Å; S229-E232 VanDerWaalsContact N-OE2 3.08Å; S229-E232 PolarHBondContact O-N 3.32Å; S229-E232 WeakPolarHBondContact OG-CB 3.28Å; S229-E232 VanDerWaalsContact OG-CG 3.24Å; S229-E232 WeakPolarHBondContact OG-CG 3.46Å; S229-E232 PolarHBondContact OG-N 2.92Å; E232-A234 PolarHBondContact O-N 3Å; E232-H235 PolarHBondContact O-N 3.33Å; E232-H235 VanDerWaalsContact O-N 3.14Å; E232-I236 PolarHBondContact O-N 2.78Å
233L92.5Very high88.7Confident0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-63.3-39.4-178-66170.4000112.6L9 L11 A221 N228 S229 F230 H235 I236L9-L233 HydrophobicContact CD1-CB 4.42Å; L9-L233 HydrophobicContact CD1-CD1 4.19Å; L9-L233 HydrophobicContact CD1-CD2 3.95Å; L9-L233 HydrophobicContact CD1-CG 4.42Å; L11-L233 HydrophobicContact CD2-CB 4.49Å; L11-L233 HydrophobicContact CD2-CD1 3.5Å; L11-L233 VanDerWaalsContact CD2-CD1 3.5Å; A221-L233 HydrophobicContact CB-CD2 3.91Å; N228-L233 HydrophobicContact CB-CD1 4.02Å; N228-L233 HydrophobicContact CB-CD2 3.67Å; N228-L233 HydrophobicContact CB-CG 3.58Å; S229-L233 WeakPolarHBondContact O-CG 3.33Å; S229-L233 PolarHBondContact O-N 3.45Å; F230-L233 PolarHBondContact O-N 3.43Å; L233-H235 PolarHBondContact O-N 3.23Å; L233-I236 HydrophobicContact CD2-CD1 3.86Å; L233-I236 PolarHBondContact O-N 2.97Å
234A91.9Very high89.1Confident0 Ų045.8 Ų45.80%027%0.265CS..Hα-helixtrans-65.3-25.8177.100000113V210 F230 E232 L240 T243 F252 W260V210-A234 HydrophobicContact CG1-CB 4.15Å; F230-A234 WeakPolarHBondContact O-CB 3.4Å; F230-A234 PolarHBondContact O-N 3.44Å; E232-A234 PolarHBondContact O-N 3Å; A234-L240 WeakPolarHBondContact O-CD1 3.47Å; A234-T243 HydrophobicContact CB-CG2 4.5Å; A234-F252 HydrophobicContact CB-CE1 4.17Å; A234-F252 HydrophobicContact CB-CZ 4.28Å; A234-W260 HydrophobicContact CB-CH2 4.26Å; A234-W260 HydrophobicContact CB-CZ3 4.38Å
235H90.9Very high89.6Confident57 Ų5746.6 Ų46.626%0.26426%0.261SS..Hα-helixtrans-94.6-3.8-179.5-71.5104.1000115E207 S231 E232 L233 P237 F252E207-H235 IonicContact OE1-NE2 3.71Å; S231-H235 PolarHBondContact O-N 2.94Å; S231-H235 PolarHBondContact O-ND1 3.04Å; E232-H235 PolarHBondContact O-N 3.33Å; E232-H235 VanDerWaalsContact O-N 3.14Å; L233-H235 PolarHBondContact O-N 3.23Å; H235-P237 WeakPolarHBondContact O-CD 3.38Å; H235-F252 AromaticContact CE1-CZ 3.88Å; H235-F252 AromaticContact NE2-CE2 3.8Å; H235-F252 AromaticContact NE2-CZ 3.52Å
236I90.7Very high89.9Confident46 Ų4639.6 Ų39.624%0.23624%0.238CC..  trans-57.4121.8176.9-65.5179.2000109.7A221 E232 L233 T238 I239 L240A221-I236 HydrophobicContact CB-CD1 3.92Å; E232-I236 PolarHBondContact O-N 2.78Å; L233-I236 HydrophobicContact CD2-CD1 3.86Å; L233-I236 PolarHBondContact O-N 2.97Å; I236-T238 WeakPolarHBondContact CG2-OG1 3.5Å; I236-T238 PolarHBondContact O-N 2.96Å; I236-I239 HydrophobicContact CB-CB 4.28Å; I236-I239 HydrophobicContact CB-CD1 3.89Å; I236-I239 HydrophobicContact CB-CG1 3.97Å; I236-I239 HydrophobicContact CD1-CD1 3.93Å; I236-I239 HydrophobicContact CG1-CD1 4.43Å; I236-I239 HydrophobicContact CG2-CD1 3.97Å; I236-I239 HydrophobicContact CG2-CG1 3.85Å; I236-I239 PolarHBondContact O-N 3.49Å; I236-L240 PolarHBondContact O-N 2.89Å
237P87.9Confident89.9Confident110 Ų11044.9 Ų44.971%0.71426%0.257SS*.THydrogen-bonded Turntrans-58.9-25.9-168.9-3036.2000116.4H235H235-P237 WeakPolarHBondContact O-CD 3.38Å
238T86.3Confident89.7Confident109 Ų10951 Ų5167%0.66929%0.294SS*.THydrogen-bonded Turntrans-80.2-21.1175.850.80000113.5I236I236-T238 WeakPolarHBondContact CG2-OG1 3.5Å; I236-T238 PolarHBondContact O-N 2.96Å
239I87.1Confident89.5Confident14 Ų1453.4 Ų53.47%0.07231%0.31CS..THydrogen-bonded Turntrans-100.8-30.3-177.6-47.5-178.1000110.8V7 L9 I236 P241 A242 T243 W260V7-I239 HydrophobicContact CG1-CD1 4.14Å; L9-I239 HydrophobicContact CD1-CD1 4.45Å; L9-I239 HydrophobicContact CD2-CD1 4.27Å; L9-I239 HydrophobicContact CD2-CG2 4.29Å; I236-I239 HydrophobicContact CB-CB 4.28Å; I236-I239 HydrophobicContact CB-CD1 3.89Å; I236-I239 HydrophobicContact CB-CG1 3.97Å; I236-I239 HydrophobicContact CD1-CD1 3.93Å; I236-I239 HydrophobicContact CG1-CD1 4.43Å; I236-I239 HydrophobicContact CG2-CD1 3.97Å; I236-I239 HydrophobicContact CG2-CG1 3.85Å; I236-I239 PolarHBondContact O-N 3.49Å; I239-P241 VanDerWaalsContact C-N 3.3Å; I239-P241 WeakPolarHBondContact O-CD 3.26Å; I239-P241 VanDerWaalsContact O-N 3.08Å; I239-A242 WeakPolarHBondContact O-CA 3.13Å; I239-A242 WeakPolarHBondContact O-CB 3.36Å; I239-A242 PolarHBondContact O-N 3.28Å; I239-T243 HydrophobicContact CG2-CG2 4.32Å; I239-T243 PolarHBondContact O-N 3Å; I239-W260 HydrophobicContact CG2-CZ2 3.67Å; I239-W260 VanDerWaalsContact CG2-NE1 3.25Å
240L88Confident89.3Confident25 Ų2558.4 Ų58.413%0.13133%0.332CS..THydrogen-bonded Turntrans-43.4-40.9179.8-168.368.6000114.9A234 I236 A242 T243 Y245 F252A234-L240 WeakPolarHBondContact O-CD1 3.47Å; I236-L240 PolarHBondContact O-N 2.89Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.94Å; L240-T243 PolarHBondContact O-N 2.79Å; L240-T243 PolarHBondContact O-OG1 2.89Å; L240-Y245 VanDerWaalsContact CD1-CB 3.48Å; L240-Y245 HydrophobicContact CD1-CD1 3.69Å; L240-Y245 HydrophobicContact CD1-CD2 4.11Å; L240-Y245 HydrophobicContact CD1-CE1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 3.5Å; L240-Y245 HydrophobicContact CD2-CD1 3.87Å; L240-Y245 HydrophobicContact CD2-CE1 4.29Å; L240-Y245 HydrophobicContact CG-CD1 3.84Å; L240-Y245 HydrophobicContact CG-CG 4.04Å; L240-F252 HydrophobicContact CD1-CE1 4.41Å
241P86.2Confident89.2Confident103 Ų10358.6 Ų58.667%0.66933%0.334SS*.THydrogen-bonded Turntrans-65.3-30.8176.1-20.734.3000114.1I239I239-P241 VanDerWaalsContact C-N 3.3Å; I239-P241 WeakPolarHBondContact O-CD 3.26Å; I239-P241 VanDerWaalsContact O-N 3.08Å
242A88.5Confident89.2Confident63 Ų6357.7 Ų57.752%0.52133%0.327SS..THydrogen-bonded Turntrans-81.1-24.4-17900000113.1I239 L240 G244I239-A242 WeakPolarHBondContact O-CA 3.13Å; I239-A242 WeakPolarHBondContact O-CB 3.36Å; I239-A242 PolarHBondContact O-N 3.28Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.94Å; A242-G244 PolarHBondContact O-N 3.48Å
243T90.3Very high89.2Confident0 Ų057 Ų570%032%0.324CS..THydrogen-bonded Turntrans-70.3-11.9175.469.20000113.7A234 I239 L240 Y245 F252 G256 L257 W260A234-T243 HydrophobicContact CB-CG2 4.5Å; I239-T243 HydrophobicContact CG2-CG2 4.32Å; I239-T243 PolarHBondContact O-N 3Å; L240-T243 PolarHBondContact O-N 2.79Å; L240-T243 PolarHBondContact O-OG1 2.89Å; T243-Y245 PolarHBondContact OG1-N 2.81Å; T243-F252 WeakPolarHBondContact OG1-CD1 3.22Å; T243-F252 WeakPolarHBondContact OG1-CE1 3.16Å; T243-G256 CarbonylContact O-C 3.58Å; T243-L257 WeakPolarHBondContact O-CA 2.98Å; T243-L257 PolarHBondContact O-N 3.39Å; T243-L257 VanDerWaalsContact O-N 3.08Å; T243-W260 HydrophobicContact CG2-CD2 3.84Å; T243-W260 HydrophobicContact CG2-CE3 4.04Å; T243-W260 HydrophobicContact CG2-CG 4.32Å; T243-W260 HydrophobicContact CG2-CH2 4.21Å; T243-W260 HydrophobicContact CG2-CZ2 4.02Å; T243-W260 HydrophobicContact CG2-CZ3 4.21Å
244G89Confident89.1Confident19 Ų1957 Ų5720%0.19632%0.324CS..THydrogen-bonded Turntrans77.225-172.500000114.1A242 H253A242-G244 PolarHBondContact O-N 3.48Å; G244-H253 PolarHBondContact O-CD2 2.94Å; G244-H253 VanDerWaalsContact O-CD2 3.3Å; G244-H253 PolarHBondContact O-N 2.78Å
245Y91.7Very high89.1Confident41 Ų4164.8 Ų64.816%0.16135%0.353CS..EExtended strand (participates in β ladder)trans-71.5129176.3-175.5-100.5000113L240 T243 K247 H250 F252L240-Y245 VanDerWaalsContact CD1-CB 3.48Å; L240-Y245 HydrophobicContact CD1-CD1 3.69Å; L240-Y245 HydrophobicContact CD1-CD2 4.11Å; L240-Y245 HydrophobicContact CD1-CE1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 3.5Å; L240-Y245 HydrophobicContact CD2-CD1 3.87Å; L240-Y245 HydrophobicContact CD2-CE1 4.29Å; L240-Y245 HydrophobicContact CG-CD1 3.84Å; L240-Y245 HydrophobicContact CG-CG 4.04Å; T243-Y245 PolarHBondContact OG1-N 2.81Å; Y245-K247 HydrophobicContact CD1-CG 4.08Å; Y245-K247 HydrophobicContact CE1-CB 4.49Å; Y245-K247 HydrophobicContact CE1-CG 3.97Å; Y245-H250 PolarHBondContact OH-ND1 2.91Å; Y245-H250 VanDerWaalsContact OH-ND1 3.1Å; Y245-F252 AromaticContact CD2-CD1 3.97Å; Y245-F252 HydrophobicContact CD2-CD1 3.97Å; Y245-F252 AromaticContact CD2-CD2 3.77Å; Y245-F252 HydrophobicContact CD2-CD2 3.77Å; Y245-F252 AromaticContact CD2-CE1 3.71Å; Y245-F252 HydrophobicContact CD2-CE1 3.71Å; Y245-F252 AromaticContact CD2-CE2 3.5Å; Y245-F252 HydrophobicContact CD2-CE2 3.5Å; Y245-F252 HydrophobicContact CD2-CG 4.01Å; Y245-F252 AromaticContact CD2-CZ 3.47Å; Y245-F252 HydrophobicContact CD2-CZ 3.47Å; Y245-F252 VanDerWaalsContact CD2-CZ 3.47Å; Y245-F252 HydrophobicContact CE2-CD2 4.3Å; Y245-F252 AromaticContact CE2-CE2 3.82Å; Y245-F252 HydrophobicContact CE2-CE2 3.82Å; Y245-F252 HydrophobicContact CE2-CZ 4.04Å; Y245-F252 HydrophobicContact CG-CD1 4.46Å; Y245-F252 HydrophobicContact CG-CE1 4.23Å; Y245-F252 HydrophobicContact CG-CZ 4.34Å
246S89.1Confident89.2Confident24 Ų2463.1 Ų63.117%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-97.6114.8171.1167.80000110.7V248 T249 H250 A251S246-V248 PolarHBondContact O-N 2.77Å; S246-V248 PolarHBondContact OG-N 3.3Å; S246-T249 WeakPolarHBondContact CB-OG1 3.45Å; S246-T249 PolarHBondContact O-N 2.9Å; S246-T249 PolarHBondContact OG-N 2.92Å; S246-T249 PolarHBondContact OG-OG1 3.42Å; S246-H250 WeakPolarHBondContact O-CA 3.49Å; S246-H250 PolarHBondContact O-N 3.29Å; S246-A251 PolarHBondContact N-O 3.42Å
247K86.8Confident89.3Confident163 Ų16360.9 Ų60.971%0.70934%0.34SS*.THydrogen-bonded Turntrans-66-12.3172.9-65.1-173177.8-174.70114.2Y245Y245-K247 HydrophobicContact CD1-CG 4.08Å; Y245-K247 HydrophobicContact CE1-CB 4.49Å; Y245-K247 HydrophobicContact CE1-CG 3.97Å
248V86.8Confident89.6Confident133 Ų13356.3 Ų56.381%0.80631%0.309SS*.THydrogen-bonded Turntrans-89.8-33.3-178.8-178.50000111.3S246S246-V248 PolarHBondContact O-N 2.77Å; S246-V248 PolarHBondContact OG-N 3.3Å
249T84.7Confident89.9Confident84 Ų8454.9 Ų54.952%0.51530%0.304SS..THydrogen-bonded Turntrans-109.8-1.7-177.851.40000113.5S246 A251S246-T249 WeakPolarHBondContact CB-OG1 3.45Å; S246-T249 PolarHBondContact O-N 2.9Å; S246-T249 PolarHBondContact OG-N 2.92Å; S246-T249 PolarHBondContact OG-OG1 3.42Å; T249-A251 PolarHBondContact O-N 3.32Å
250H88.4Confident90.3Very high115 Ų11554.4 Ų54.453%0.53230%0.301SS..THydrogen-bonded Turntrans48.940.2-174.1-65-78.8000113Y245 S246Y245-H250 PolarHBondContact OH-ND1 2.91Å; Y245-H250 VanDerWaalsContact OH-ND1 3.1Å; S246-H250 WeakPolarHBondContact O-CA 3.49Å; S246-H250 PolarHBondContact O-N 3.29Å
251A91Very high90.6Very high5 Ų553.2 Ų53.24%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-141.9153.8-171.700000111.5L205 S246 T249L205-A251 WeakPolarHBondContact O-CA 3.48Å; L205-A251 WeakPolarHBondContact O-CB 3.34Å; S246-A251 PolarHBondContact N-O 3.42Å; T249-A251 PolarHBondContact O-N 3.32Å
252F92.7Very high91Very high0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-99127.7-179.4-63.2-102.5000110.2T204 L205 V210 A234 H235 L240 T243 Y245 L254 L257T204-F252 CarbonylContact C-O 3.55Å; T204-F252 WeakPolarHBondContact CA-O 3.24Å; L205-F252 PolarHBondContact N-O 3.47Å; L205-F252 PolarHBondContact O-N 2.78Å; V210-F252 HydrophobicContact CB-CD2 4.37Å; V210-F252 HydrophobicContact CB-CE2 4.17Å; V210-F252 HydrophobicContact CG1-CE2 4.18Å; V210-F252 HydrophobicContact CG1-CZ 4.3Å; V210-F252 HydrophobicContact CG2-CB 4.47Å; V210-F252 HydrophobicContact CG2-CD2 3.51Å; V210-F252 HydrophobicContact CG2-CE2 3.78Å; V210-F252 HydrophobicContact CG2-CG 3.99Å; V210-F252 HydrophobicContact CG2-CZ 4.46Å; A234-F252 HydrophobicContact CB-CE1 4.17Å; A234-F252 HydrophobicContact CB-CZ 4.28Å; H235-F252 AromaticContact CE1-CZ 3.88Å; H235-F252 AromaticContact NE2-CE2 3.8Å; H235-F252 AromaticContact NE2-CZ 3.52Å; L240-F252 HydrophobicContact CD1-CE1 4.41Å; T243-F252 WeakPolarHBondContact OG1-CD1 3.22Å; T243-F252 WeakPolarHBondContact OG1-CE1 3.16Å; Y245-F252 AromaticContact CD2-CD1 3.97Å; Y245-F252 HydrophobicContact CD2-CD1 3.97Å; Y245-F252 AromaticContact CD2-CD2 3.77Å; Y245-F252 HydrophobicContact CD2-CD2 3.77Å; Y245-F252 AromaticContact CD2-CE1 3.71Å; Y245-F252 HydrophobicContact CD2-CE1 3.71Å; Y245-F252 AromaticContact CD2-CE2 3.5Å; Y245-F252 HydrophobicContact CD2-CE2 3.5Å; Y245-F252 HydrophobicContact CD2-CG 4.01Å; Y245-F252 AromaticContact CD2-CZ 3.47Å; Y245-F252 HydrophobicContact CD2-CZ 3.47Å; Y245-F252 VanDerWaalsContact CD2-CZ 3.47Å; Y245-F252 HydrophobicContact CE2-CD2 4.3Å; Y245-F252 AromaticContact CE2-CE2 3.82Å; Y245-F252 HydrophobicContact CE2-CE2 3.82Å; Y245-F252 HydrophobicContact CE2-CZ 4.04Å; Y245-F252 HydrophobicContact CG-CD1 4.46Å; Y245-F252 HydrophobicContact CG-CE1 4.23Å; Y245-F252 HydrophobicContact CG-CZ 4.34Å; F252-L254 PolarHBondContact O-N 3.32Å; F252-L257 HydrophobicContact CB-CD2 4.45Å; F252-L257 HydrophobicContact CD1-CD1 4.05Å
253H92.2Very high91.2Very high85 Ų8555 Ų5539%0.39429%0.287SS..EExtended strand (participates in β ladder)trans-68.4121.5172.4-70.8-76.4000110.1G244 R255 G256 L257G244-H253 PolarHBondContact O-CD2 2.94Å; G244-H253 VanDerWaalsContact O-CD2 3.3Å; G244-H253 PolarHBondContact O-N 2.78Å; H253-R255 VanDerWaalsContact C-N 3.29Å; H253-R255 PolarHBondContact O-N 2.9Å; H253-G256 PolarHBondContact O-N 2.82Å; H253-L257 PolarHBondContact O-N 3.35Å
254L91.8Very high91.4Very high2 Ų259.5 Ų59.51%0.0130%0.304CS..Hα-helixtrans-54.8-42.6-170.7179.8150.2000112.5L187 V191 A203 F252 G256 L257 L258L187-L254 HydrophobicContact CB-CD1 3.97Å; L187-L254 HydrophobicContact CB-CG 4.15Å; V191-L254 HydrophobicContact CG2-CD1 3.44Å; V191-L254 VanDerWaalsContact CG2-CD1 3.44Å; A203-L254 WeakPolarHBondContact O-CB 3.41Å; A203-L254 PolarHBondContact O-N 3.46Å; F252-L254 PolarHBondContact O-N 3.32Å; L254-G256 PolarHBondContact O-N 2.8Å; L254-L257 PolarHBondContact O-N 3.34Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 PolarHBondContact O-N 3.35Å
255R91Very high91.7Very high162 Ų16259.6 Ų59.661%0.61130%0.3SS*.Hα-helixtrans-62.6-38.5177.7-176.5179.6-176.9161.71.1113.1M201 H253 S259M201-R255 HydrophobicContact CE-CB 4.29Å; M201-R255 HydrophobicContact CE-CG 3.88Å; H253-R255 VanDerWaalsContact C-N 3.29Å; H253-R255 PolarHBondContact O-N 2.9Å; R255-S259 WeakPolarHBondContact O-CB 3.45Å; R255-S259 PolarHBondContact O-N 2.87Å; R255-S259 VanDerWaalsContact O-N 3.17Å
256G92.2Very high91.8Very high22 Ų2260.6 Ų60.623%0.22731%0.311CS..Hα-helixtrans-67.2-52177.500000110.8T243 H253 L254 L258 S259 W260T243-G256 CarbonylContact O-C 3.58Å; H253-G256 PolarHBondContact O-N 2.82Å; L254-G256 PolarHBondContact O-N 2.8Å; G256-L258 PolarHBondContact O-N 3.32Å; G256-S259 PolarHBondContact O-N 3.43Å; G256-S259 VanDerWaalsContact O-N 3.16Å; G256-W260 WeakPolarHBondContact O-CB 3.4Å; G256-W260 PolarHBondContact O-N 3.2Å
257L93.4Very high92Very high0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-61.1-44.7179.8-167.572.3000111.7L187 L205 V210 L213 F230 T243 F252 H253 L254 S259 W260 I261L187-L257 HydrophobicContact CD2-CD2 4.34Å; L205-L257 HydrophobicContact CD1-CD2 3.86Å; V210-L257 HydrophobicContact CG2-CD2 4.05Å; L213-L257 HydrophobicContact CD1-CD2 4.46Å; F230-L257 HydrophobicContact CZ-CD1 4.27Å; T243-L257 WeakPolarHBondContact O-CA 2.98Å; T243-L257 PolarHBondContact O-N 3.39Å; T243-L257 VanDerWaalsContact O-N 3.08Å; F252-L257 HydrophobicContact CB-CD2 4.45Å; F252-L257 HydrophobicContact CD1-CD1 4.05Å; H253-L257 PolarHBondContact O-N 3.35Å; L254-L257 PolarHBondContact O-N 3.34Å; L257-S259 VanDerWaalsContact C-N 3.32Å; L257-S259 PolarHBondContact O-N 3.47Å; L257-W260 HydrophobicContact CD1-CE3 3.89Å; L257-W260 HydrophobicContact CD1-CZ3 4.15Å; L257-W260 PolarHBondContact O-N 3.32Å; L257-I261 HydrophobicContact CD2-CD1 4.47Å; L257-I261 HydrophobicContact CG-CD1 4.04Å; L257-I261 HydrophobicContact CG-CG1 4.42Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.26Å; L257-I261 PolarHBondContact O-N 2.83Å
258L94.3Very high92.2Very high13 Ų1357.7 Ų57.77%0.06830%0.297CS..Hα-helixtrans-56.3-44175176.164.3000112.4L183 N184 L187 L254 G256 R262L183-L258 HydrophobicContact CB-CD1 4.3Å; L183-L258 HydrophobicContact CD2-CD1 3.74Å; L183-L258 HydrophobicContact CG-CD1 3.76Å; N184-L258 HydrophobicContact CB-CD1 4.38Å; N184-L258 HydrophobicContact CB-CD2 4.4Å; N184-L258 WeakPolarHBondContact OD1-CD2 3.23Å; L187-L258 HydrophobicContact CD1-CB 3.79Å; L187-L258 HydrophobicContact CD1-CD1 4.02Å; L187-L258 HydrophobicContact CD1-CG 4.5Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 PolarHBondContact O-N 3.35Å; G256-L258 PolarHBondContact O-N 3.32Å; L258-R262 WeakPolarHBondContact O-CB 3.43Å; L258-R262 WeakPolarHBondContact O-CG 3.48Å; L258-R262 PolarHBondContact O-N 3.04Å
259S93.3Very high92.5Very high79 Ų7953.7 Ų53.755%0.55227%0.274SS*.Hα-helixtrans-68.3-41.4179-165.30000111.6R255 G256 L257 R262 S263R255-S259 WeakPolarHBondContact O-CB 3.45Å; R255-S259 PolarHBondContact O-N 2.87Å; R255-S259 VanDerWaalsContact O-N 3.17Å; G256-S259 PolarHBondContact O-N 3.43Å; G256-S259 VanDerWaalsContact O-N 3.16Å; L257-S259 VanDerWaalsContact C-N 3.32Å; L257-S259 PolarHBondContact O-N 3.47Å; S259-R262 PolarHBondContact O-N 2.75Å; S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 VanDerWaalsContact O-N 3.07Å; S259-S263 PolarHBondContact O-OG 2.87Å
260W94.3Very high92.8Very high5 Ų550.3 Ų50.32%0.01925%0.252CS..Hα-helixtrans-67.1-46.7179.5174.380.6000112.3L9 L11 F230 A234 I239 T243 G256 L257 R262 S263 W264L9-W260 HydrophobicContact CD2-CZ2 3.48Å; L9-W260 VanDerWaalsContact CD2-CZ2 3.48Å; L11-W260 HydrophobicContact CD1-CE3 4.44Å; L11-W260 HydrophobicContact CD1-CH2 4Å; L11-W260 HydrophobicContact CD1-CZ2 4.42Å; L11-W260 HydrophobicContact CD1-CZ3 4.02Å; F230-W260 HydrophobicContact CE2-CE3 4.48Å; F230-W260 HydrophobicContact CE2-CH2 4.21Å; F230-W260 AromaticContact CE2-CZ3 3.55Å; F230-W260 HydrophobicContact CE2-CZ3 3.55Å; F230-W260 HydrophobicContact CZ-CE3 4.47Å; F230-W260 AromaticContact CZ-CZ3 3.67Å; F230-W260 HydrophobicContact CZ-CZ3 3.67Å; A234-W260 HydrophobicContact CB-CH2 4.26Å; A234-W260 HydrophobicContact CB-CZ3 4.38Å; I239-W260 HydrophobicContact CG2-CZ2 3.67Å; I239-W260 VanDerWaalsContact CG2-NE1 3.25Å; T243-W260 HydrophobicContact CG2-CD2 3.84Å; T243-W260 HydrophobicContact CG2-CE3 4.04Å; T243-W260 HydrophobicContact CG2-CG 4.32Å; T243-W260 HydrophobicContact CG2-CH2 4.21Å; T243-W260 HydrophobicContact CG2-CZ2 4.02Å; T243-W260 HydrophobicContact CG2-CZ3 4.21Å; G256-W260 WeakPolarHBondContact O-CB 3.4Å; G256-W260 PolarHBondContact O-N 3.2Å; L257-W260 HydrophobicContact CD1-CE3 3.89Å; L257-W260 HydrophobicContact CD1-CZ3 4.15Å; L257-W260 PolarHBondContact O-N 3.32Å; W260-R262 VanDerWaalsContact C-N 3.27Å; W260-R262 PolarHBondContact O-N 3.14Å; W260-S263 PolarHBondContact O-N 3.41Å; W260-S263 PolarHBondContact O-OG 2.89Å; W260-W264 AromaticContact CD1-CD1 3.51Å; W260-W264 AromaticContact CD1-NE1 3.5Å; W260-W264 AromaticContact CE2-CD1 3.95Å; W260-W264 AromaticContact NE1-CD1 3.4Å; W260-W264 AromaticContact NE1-NE1 3.44Å; W260-W264 PolarHBondContact O-N 3.26Å
261I95.1Very high93Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-56.2-46.7174-62.8169.3000109.5L183 L187 L217 F230 L257 S263 W264 L265L183-I261 HydrophobicContact CD1-CD1 4.12Å; L183-I261 HydrophobicContact CD1-CG2 4.27Å; L183-I261 HydrophobicContact CD2-CB 3.88Å; L183-I261 HydrophobicContact CD2-CD1 4.43Å; L183-I261 HydrophobicContact CD2-CG2 3.51Å; L187-I261 HydrophobicContact CD1-CD1 4.39Å; L187-I261 HydrophobicContact CD2-CD1 4.46Å; L217-I261 HydrophobicContact CD1-CD1 4.47Å; L217-I261 HydrophobicContact CD1-CG2 4.11Å; F230-I261 HydrophobicContact CE2-CD1 4.06Å; F230-I261 HydrophobicContact CE2-CG1 3.79Å; F230-I261 HydrophobicContact CZ-CD1 3.68Å; F230-I261 HydrophobicContact CZ-CG1 3.77Å; L257-I261 HydrophobicContact CD2-CD1 4.47Å; L257-I261 HydrophobicContact CG-CD1 4.04Å; L257-I261 HydrophobicContact CG-CG1 4.42Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.26Å; L257-I261 PolarHBondContact O-N 2.83Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 3.32Å; I261-W264 PolarHBondContact O-N 3.03Å; I261-W264 VanDerWaalsContact O-N 3.13Å; I261-L265 WeakPolarHBondContact O-CB 3.29Å; I261-L265 PolarHBondContact O-N 3.4Å
262R94.7Very high93Very high124 Ų12446.8 Ų46.847%0.46824%0.239SC..Hα-helixtrans-64.1-28.9-179.4-78.9179.5161.2165.8-4.3114.5S180 L183 L258 S259 W260 W264S180-R262 PolarHBondContact O-NH2 3.04Å; L183-R262 HydrophobicContact CD2-CG 3.95Å; L258-R262 WeakPolarHBondContact O-CB 3.43Å; L258-R262 WeakPolarHBondContact O-CG 3.48Å; L258-R262 PolarHBondContact O-N 3.04Å; S259-R262 PolarHBondContact O-N 2.75Å; W260-R262 VanDerWaalsContact C-N 3.27Å; W260-R262 PolarHBondContact O-N 3.14Å; R262-W264 VanDerWaalsContact C-N 3.33Å
263S93.4Very high92.9Very high80 Ų8051.1 Ų51.156%0.55926%0.259SS*.Hα-helixtrans-76.7-17.517551.70000114.3S259 W260 I261S259-S263 PolarHBondContact O-N 3.44Å; S259-S263 VanDerWaalsContact O-N 3.07Å; S259-S263 PolarHBondContact O-OG 2.87Å; W260-S263 PolarHBondContact O-N 3.41Å; W260-S263 PolarHBondContact O-OG 2.89Å; I261-S263 VanDerWaalsContact C-N 3.31Å; I261-S263 PolarHBondContact O-N 3.32Å
264W94.2Very high92.9Very high94 Ų9448.9 Ų48.936%0.35625%0.25SS..Hα-helixtrans-121-3.1-174.1-60.7114.2000114.6L9 L11 W260 I261 R262 T266L9-W264 HydrophobicContact CB-CD2 4Å; L9-W264 HydrophobicContact CB-CE3 3.88Å; L9-W264 HydrophobicContact CB-CH2 4.37Å; L9-W264 HydrophobicContact CB-CZ2 4.5Å; L9-W264 HydrophobicContact CB-CZ3 4.07Å; L9-W264 HydrophobicContact CD2-CB 4.13Å; L9-W264 HydrophobicContact CD2-CD2 3.83Å; L9-W264 HydrophobicContact CD2-CG 3.6Å; L9-W264 HydrophobicContact CG-CB 4.3Å; L9-W264 HydrophobicContact CG-CD2 4.07Å; L9-W264 HydrophobicContact CG-CE3 4.32Å; L9-W264 HydrophobicContact CG-CG 4.06Å; L9-W264 WeakPolarHBondContact O-CZ3 3.49Å; L11-W264 HydrophobicContact CD1-CB 3.97Å; L11-W264 HydrophobicContact CG-CB 4.03Å; L11-W264 PolarHBondContact N-O 3.13Å; W260-W264 AromaticContact CD1-CD1 3.51Å; W260-W264 AromaticContact CD1-NE1 3.5Å; W260-W264 AromaticContact CE2-CD1 3.95Å; W260-W264 AromaticContact NE1-CD1 3.4Å; W260-W264 AromaticContact NE1-NE1 3.44Å; W260-W264 PolarHBondContact O-N 3.26Å; I261-W264 PolarHBondContact O-N 3.03Å; I261-W264 VanDerWaalsContact O-N 3.13Å; R262-W264 VanDerWaalsContact C-N 3.33Å; W264-T266 PolarHBondContact O-N 3.32Å
265L94.8Very high93Very high21 Ų2148.8 Ų48.811%0.1125%0.25CC..BIsolated β-bridgetrans-73.8114.2179.9-170.571.7000111.5L11 F176 I179 L217 I261L11-L265 CarbonylContact O-C 3.57Å; L11-L265 WeakPolarHBondContact O-CA 3.42Å; F176-L265 HydrophobicContact CD2-CD2 4.46Å; F176-L265 HydrophobicContact CD2-CG 4.26Å; F176-L265 HydrophobicContact CE2-CD2 4.17Å; F176-L265 HydrophobicContact CE2-CG 3.88Å; I179-L265 HydrophobicContact CG2-CD2 4Å; L217-L265 HydrophobicContact CD2-CD1 3.69Å; I261-L265 WeakPolarHBondContact O-CB 3.29Å; I261-L265 PolarHBondContact O-N 3.4Å
266T94.3Very high93Very high61 Ų6144.3 Ų44.337%0.37424%0.237SC..  trans-114.9169.917762.20000111.7L11 W12 P13 F176 W264L11-T266 PolarHBondContact O-N 3.43Å; L11-T266 PolarHBondContact O-OG1 3.39Å; W12-T266 WeakPolarHBondContact CB-O 3.38Å; P13-T266 WeakPolarHBondContact CD-O 3.24Å; F176-T266 VanDerWaalsContact CD2-O 3.26Å; F176-T266 WeakPolarHBondContact CD2-O 3.2Å; F176-T266 VanDerWaalsContact CE2-C 3.42Å; F176-T266 WeakPolarHBondContact CE2-O 3.44Å; W264-T266 PolarHBondContact O-N 3.32Å
267Q92.1Very high92.9Very high117 Ų11748.7 Ų48.755%0.54726%0.255SS..  trans-63.6150.8166.9-67.2-178-13.600110.5F176 P269F176-Q267 HydrophobicContact CD1-CG 4.46Å; F176-Q267 HydrophobicContact CD2-CG 4.4Å; F176-Q267 HydrophobicContact CG-CG 4.28Å; Q267-P269 WeakPolarHBondContact O-CD 3.35Å
268N91.8Very high92.9Very high9 Ų953.8 Ų53.85%0.04828%0.282CS..  trans-67.9119.1-179.4-176.9-43.1000110.6W12 P13 F270 S271W12-N268 HydrophobicContact CB-CB 4.3Å; W12-N268 HydrophobicContact CG-CB 4.27Å; P13-N268 PolarHBondContact O-ND2 3.47Å; N268-F270 PolarHBondContact O-N 2.87Å; N268-F270 WeakPolarHBondContact OD1-CA 3.22Å; N268-F270 WeakPolarHBondContact OD1-CB 3.46Å; N268-F270 PolarHBondContact OD1-N 2.92Å; N268-S271 WeakPolarHBondContact O-CB 3.1Å; N268-S271 PolarHBondContact O-N 2.68Å; N268-S271 PolarHBondContact OD1-N 3.29Å
269P92.3Very high92.7Very high49 Ų4953.5 Ų53.532%0.31828%0.282SS..THydrogen-bonded Turntrans-71.2-12.5-177.130.3-35.1000113.3W12 Q267 N274W12-P269 HydrophobicContact CD2-CG 3.99Å; W12-P269 HydrophobicContact CE3-CG 4.04Å; W12-P269 HydrophobicContact CH2-CG 4.17Å; W12-P269 HydrophobicContact CZ2-CG 4.12Å; W12-P269 HydrophobicContact CZ3-CG 4.12Å; Q267-P269 WeakPolarHBondContact O-CD 3.35Å; P269-N274 WeakPolarHBondContact O-CB 3.26Å; P269-N274 PolarHBondContact O-ND2 2.88Å
270F92.1Very high92.7Very high13 Ų1355.7 Ų55.76%0.05728%0.278CS..THydrogen-bonded Turntrans-103.116.6177.9-50.7-60.1000113.1W12 L227 N268 V322 N331 L333W12-F270 HydrophobicContact CH2-CE2 4.45Å; W12-F270 HydrophobicContact CZ2-CD2 4.39Å; W12-F270 AromaticContact CZ2-CE2 3.79Å; W12-F270 HydrophobicContact CZ2-CE2 3.79Å; L227-F270 HydrophobicContact CD1-CE2 4.3Å; L227-F270 HydrophobicContact CD2-CE2 3.69Å; L227-F270 HydrophobicContact CD2-CZ 3.91Å; N268-F270 PolarHBondContact O-N 2.87Å; N268-F270 WeakPolarHBondContact OD1-CA 3.22Å; N268-F270 WeakPolarHBondContact OD1-CB 3.46Å; N268-F270 PolarHBondContact OD1-N 2.92Å; F270-V322 HydrophobicContact CD1-CG2 3.63Å; F270-V322 HydrophobicContact CE1-CB 4.46Å; F270-V322 HydrophobicContact CE1-CG2 3.9Å; F270-V322 HydrophobicContact CG-CG2 4.24Å; F270-N331 HydrophobicContact CB-CB 4.03Å; F270-N331 HydrophobicContact CD2-CB 3.87Å; F270-N331 HydrophobicContact CG-CB 3.98Å; F270-L333 WeakPolarHBondContact O-CD1 3.17Å
271S91.8Very high92.6Very high18 Ų1861.5 Ų61.513%0.12630%0.3CS..SBendtrans-57.1161.6177.769.40000113.9N268 E273 N274 C275N268-S271 WeakPolarHBondContact O-CB 3.1Å; N268-S271 PolarHBondContact O-N 2.68Å; N268-S271 PolarHBondContact OD1-N 3.29Å; S271-E273 PolarHBondContact O-N 2.84Å; S271-N274 PolarHBondContact O-N 3.45Å; S271-N274 PolarHBondContact OG-N 3.23Å; S271-N274 VanDerWaalsContact OG-N 3.09Å; S271-C275 WeakPolarHBondContact O-CB 3.15Å; S271-C275 PolarHBondContact O-N 3.15Å
272V92.3Very high92.3Very high29 Ų2962.1 Ų62.118%0.17630%0.304CS..Hα-helixtrans-60.1-37.8173.7173.10000110.9E172 C275 I276 L333 V335 K357E172-V272 WeakPolarHBondContact OE2-CB 3.21Å; E172-V272 WeakPolarHBondContact OE2-CG2 3.48Å; E172-V272 PolarHBondContact OE2-N 3.45Å; V272-C275 PolarHBondContact O-N 3.4Å; V272-I276 HydrophobicContact CG1-CD1 3.75Å; V272-I276 HydrophobicContact CG1-CG1 4.38Å; V272-I276 WeakPolarHBondContact O-CB 3.32Å; V272-I276 VanDerWaalsContact O-CG1 3.25Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 3.03Å; V272-L333 HydrophobicContact CG2-CD1 4.03Å; V272-V335 HydrophobicContact CG1-CG1 4.39Å; V272-V335 HydrophobicContact CG1-CG2 4.23Å; V272-K357 HydrophobicContact CG2-CD 3.58Å; V272-K357 VanDerWaalsContact CG2-NZ 3.28Å
273E90.8Very high91.7Very high90 Ų9064 Ų6442%0.42132%0.317SS..Hα-helixtrans-61.3-50.8176.3-177.3169.1-152.800111.5Q173 S271 C275 I276 L277Q173-E273 PolarHBondContact NE2-OE2 2.85Å; S271-E273 PolarHBondContact O-N 2.84Å; E273-C275 VanDerWaalsContact C-N 3.35Å; E273-C275 PolarHBondContact O-N 3.16Å; E273-I276 CarbonylContact O-C 3.57Å; E273-I276 PolarHBondContact O-N 3.15Å; E273-I276 VanDerWaalsContact O-N 3.1Å; E273-L277 HydrophobicContact CG-CD1 3.94Å; E273-L277 HydrophobicContact CG-CG 4.46Å; E273-L277 WeakPolarHBondContact O-CG 3.06Å; E273-L277 PolarHBondContact O-N 3.05Å
274N91.7Very high90.9Very high38 Ų3861.1 Ų61.120%0.20330%0.295CS..Hα-helixtrans-65.8-37.9177.7-170.950.5000112.1P269 S271 I276 L277 N278 G279P269-N274 WeakPolarHBondContact O-CB 3.26Å; P269-N274 PolarHBondContact O-ND2 2.88Å; S271-N274 PolarHBondContact O-N 3.45Å; S271-N274 PolarHBondContact OG-N 3.23Å; S271-N274 VanDerWaalsContact OG-N 3.09Å; N274-I276 VanDerWaalsContact C-N 3.26Å; N274-I276 PolarHBondContact O-N 2.86Å; N274-L277 PolarHBondContact O-N 3.25Å; N274-N278 PolarHBondContact O-N 2.81Å; N274-N278 PolarHBondContact OD1-ND2 3.09Å; N274-G279 PolarHBondContact O-N 3.08Å
275C93.1Very high89.5Confident0 Ų060.1 Ų60.10%029%0.291CS..Hα-helixtrans-61.9-33.2172.9-1750000112.4S271 V272 E273 G279 A316 N318 L333 V335S271-C275 WeakPolarHBondContact O-CB 3.15Å; S271-C275 PolarHBondContact O-N 3.15Å; V272-C275 PolarHBondContact O-N 3.4Å; E273-C275 VanDerWaalsContact C-N 3.35Å; E273-C275 PolarHBondContact O-N 3.16Å; C275-G279 VanDerWaalsContact O-CA 3.27Å; C275-G279 WeakPolarHBondContact O-CA 3.36Å; C275-G279 PolarHBondContact O-N 2.66Å; C275-A316 WeakPolarHBondContact O-CB 3.45Å; C275-N318 HydrophobicContact CB-CB 4.25Å; C275-N318 PolarHBondContact SG-N 2.78Å; C275-L333 HydrophobicContact CB-CB 4.37Å; C275-L333 HydrophobicContact CB-CD1 4.07Å; C275-V335 HydrophobicContact CB-CG2 4.37Å
276I91Very high87.8Confident68 Ų6860.8 Ų60.835%0.34929%0.294SS..Hα-helixtrans-77-42174.4-71.7170.1000111.1V272 E273 N274 R281 V335V272-I276 HydrophobicContact CG1-CD1 3.75Å; V272-I276 HydrophobicContact CG1-CG1 4.38Å; V272-I276 WeakPolarHBondContact O-CB 3.32Å; V272-I276 VanDerWaalsContact O-CG1 3.25Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 3.03Å; E273-I276 CarbonylContact O-C 3.57Å; E273-I276 PolarHBondContact O-N 3.15Å; E273-I276 VanDerWaalsContact O-N 3.1Å; N274-I276 VanDerWaalsContact C-N 3.26Å; N274-I276 PolarHBondContact O-N 2.86Å; I276-R281 PolarHBondContact O-NH1 2.89Å; I276-R281 PolarHBondContact O-NH2 3.22Å; I276-V335 HydrophobicContact CD1-CG1 4.16Å; I276-V335 HydrophobicContact CG1-CG1 4.11Å
277L91.2Very high85.5Confident115 Ų11562.3 Ų62.360%0.60231%0.305SS*.Hα-helixtrans-72.5-55.7-177.9-67.5174.7000111.8E273 N274E273-L277 HydrophobicContact CG-CD1 3.94Å; E273-L277 HydrophobicContact CG-CG 4.46Å; E273-L277 WeakPolarHBondContact O-CG 3.06Å; E273-L277 PolarHBondContact O-N 3.05Å; N274-L277 PolarHBondContact O-N 3.25Å
278N92.1Very high83.2Confident106 Ų10661.4 Ų61.457%0.56730%0.301SS*.THydrogen-bonded Turntrans-107.9-5.2-168-64.4-43000114.2N274 Q321N274-N278 PolarHBondContact O-N 2.81Å; N274-N278 PolarHBondContact OD1-ND2 3.09Å; N278-Q321 PolarHBondContact O-NE2 2.85Å
279G91.6Very high80.9Confident7 Ų765.9 Ų65.97%0.07232%0.321CS..SBendtrans-72.9148.2-178.600000115.3N274 C275 R281 T317N274-G279 PolarHBondContact O-N 3.08Å; C275-G279 VanDerWaalsContact O-CA 3.27Å; C275-G279 WeakPolarHBondContact O-CA 3.36Å; C275-G279 PolarHBondContact O-N 2.66Å; G279-R281 PolarHBondContact O-N 2.7Å; G279-R281 PolarHBondContact O-NH1 3.21Å; G279-T317 CarbonylContact C-O 3.5Å; G279-T317 VanDerWaalsContact CA-O 3.31Å; G279-T317 WeakPolarHBondContact CA-O 3.44Å
280R93.2Very high78.3Confident125 Ų12569.1 Ų69.147%0.47234%0.34SS..EExtended strand (participates in β ladder)trans-58.8126.3176178.2174.6174.1-170.1-7108.5A316 T317 H320 D555R280-A316 CarbonylContact O-C 3.59Å; R280-A316 WeakPolarHBondContact O-CA 3.33Å; R280-T317 HydrophobicContact CB-CG2 4.32Å; R280-T317 PolarHBondContact N-O 2.99Å; R280-T317 PolarHBondContact O-N 3.27Å; R280-H320 PolarHBondContact N-CE1 3.25Å; R280-H320 VanDerWaalsContact N-CE1 3.3Å; R280-D555 IonicContact CZ-OD1 2.72Å; R280-D555 IonicContact CZ-OD2 3.49Å; R280-D555 IonicContact NH1-OD1 3.39Å; R280-D555 PolarHBondContact NH1-OD1 3.44Å; R280-D555 IonicContact NH1-OD2 3.04Å; R280-D555 VanDerWaalsContact NH2-CG 3.32Å; R280-D555 IonicContact NH2-OD1 2.82Å; R280-D555 PolarHBondContact NH2-OD1 2.91Å; R280-D555 IonicContact NH2-OD2 3.31Å; R280-D555 PolarHBondContact NH2-OD2 3.28Å
281R91.8Very high75.7Confident127 Ų12772.6 Ų72.648%0.47936%0.362SS..EExtended strand (participates in β ladder)trans-73141.8174.1-63.6-63.1-176.3-111.41.9110.2I276 G279 I315I276-R281 PolarHBondContact O-NH1 2.89Å; I276-R281 PolarHBondContact O-NH2 3.22Å; G279-R281 PolarHBondContact O-N 2.7Å; G279-R281 PolarHBondContact O-NH1 3.21Å; R281-I315 WeakPolarHBondContact CA-O 3.45Å
282L88Confident73.2Confident14 Ų1479 Ų797%0.07339%0.394CS..  trans-117.8130.7-178.1-66165.9000109.8W284 I315 T317 V334L282-W284 HydrophobicContact CB-CD2 4.31Å; L282-W284 HydrophobicContact CB-CG 4.43Å; L282-W284 HydrophobicContact CB-CZ2 4.34Å; L282-W284 HydrophobicContact CD1-CH2 3.83Å; L282-W284 HydrophobicContact CD1-CZ2 3.53Å; L282-W284 HydrophobicContact CD2-CZ2 4.01Å; L282-W284 HydrophobicContact CG-CZ2 4.17Å; L282-I315 HydrophobicContact CB-CB 4.17Å; L282-I315 HydrophobicContact CB-CG2 3.77Å; L282-I315 HydrophobicContact CD1-CG2 3.93Å; L282-I315 HydrophobicContact CG-CG2 4.45Å; L282-I315 PolarHBondContact N-O 3.47Å; L282-T317 HydrophobicContact CD1-CG2 3.62Å; L282-T317 HydrophobicContact CD2-CG2 4.11Å; L282-T317 HydrophobicContact CG-CG2 3.97Å; L282-V334 HydrophobicContact CD1-CG1 4.36Å
283Q83Confident70.7Confident162 Ų16284.5 Ų84.576%0.75742%0.423SS*.  trans-104.385.1-179.3178.9157.9-25.700109.8
284W76Confident68Low21 Ų2187.1 Ų87.18%0.0844%0.44CS..  trans-109.17.5-171.5-69-5.1000115.3L282 Q313 I315 V334 M336 I344 R346 T350 L351L282-W284 HydrophobicContact CB-CD2 4.31Å; L282-W284 HydrophobicContact CB-CG 4.43Å; L282-W284 HydrophobicContact CB-CZ2 4.34Å; L282-W284 HydrophobicContact CD1-CH2 3.83Å; L282-W284 HydrophobicContact CD1-CZ2 3.53Å; L282-W284 HydrophobicContact CD2-CZ2 4.01Å; L282-W284 HydrophobicContact CG-CZ2 4.17Å; W284-Q313 VanDerWaalsContact N-OE1 3.09Å; W284-I315 HydrophobicContact CB-CD1 4.06Å; W284-I315 HydrophobicContact CE3-CG2 4.38Å; W284-V334 HydrophobicContact CH2-CG1 4.14Å; W284-V334 HydrophobicContact CZ3-CG1 4.13Å; W284-M336 HydrophobicContact CE3-CE 3.65Å; W284-M336 HydrophobicContact CZ3-CE 3.49Å; W284-M336 VanDerWaalsContact CZ3-CE 3.49Å; W284-I344 HydrophobicContact CB-CG2 4Å; W284-R346 HydrophobicContact CD2-CG 4.3Å; W284-R346 HydrophobicContact CE3-CG 4.47Å; W284-R346 HydrophobicContact CG-CG 4.32Å; W284-R346 PolarHBondContact O-NH2 3.09Å; W284-T350 VanDerWaalsContact CH2-OG1 3.29Å; W284-T350 WeakPolarHBondContact CH2-OG1 3.16Å; W284-T350 HydrophobicContact CZ2-CG2 4.41Å; W284-T350 WeakPolarHBondContact CZ2-OG1 3.47Å; W284-L351 HydrophobicContact CH2-CD1 4.23Å; W284-L351 HydrophobicContact CH2-CD2 4.17Å; W284-L351 HydrophobicContact CH2-CG 3.88Å; W284-L351 HydrophobicContact CZ3-CD1 4.1Å; W284-L351 HydrophobicContact CZ3-CD2 4.16Å; W284-L351 HydrophobicContact CZ3-CG 4.12Å
285R65.7Low65.2Low72 Ų7295 Ų9527%0.27248%0.475SS..SBendtrans-62.5152.3160.1-67.7-179.5-169.3169.78.6110.7Q289 Q313 Q342 R346R285-Q289 VanDerWaalsContact CD-OE1 3.32Å; R285-Q289 VanDerWaalsContact NH1-OE1 3.15Å; R285-Q313 HydrophobicContact CG-CG 4.26Å; R285-Q342 HydrophobicContact CG-CG 4.29Å; R285-R346 PolarHBondContact O-NH2 3.36Å
286L58.6Low62.5Low35 Ų35100.7 Ų100.718%0.18352%0.515CS..PPolyproline II helixtrans-74.9149.9161.3-68.4141.3000108.4I343 L545 S680L286-I343 HydrophobicContact CD1-CB 4.4Å; L286-I343 HydrophobicContact CD1-CG2 4.19Å; L286-L545 HydrophobicContact CD1-CD1 4.41Å; L286-S680 WeakPolarHBondContact CB-OG 3.3Å; L286-S680 WeakPolarHBondContact CD1-OG 3.25Å
287P45.5Very low59.7Low94 Ų94101.1 Ų101.161%0.6154%0.536SS*.SBendtrans-59.8152.9174.1-21.333.8000111.2
288H44.6Very low56.9Low98 Ų98103.4 Ų103.445%0.45455%0.548SS..  trans72.482.6-172.6-49.894.3000115.6
289Q42.4Very low54.3Low102 Ų102105.3 Ų105.348%0.47756%0.558SS.*  trans-113.293.4142.4-75.9-167.6-56.400107.6R285 R341R285-Q289 VanDerWaalsContact CD-OE1 3.32Å; R285-Q289 VanDerWaalsContact NH1-OE1 3.15Å; Q289-R341 PolarHBondContact NE2-O 3.28Å
290V37.4Very low51.5Low117 Ų117111.5 Ų111.571%0.70959%0.59SS**  trans-105.8131.2169.5-178.90000108
291V37.9Very low48.7Very low87 Ų87111.1 Ų111.153%0.52760%0.601SS.*  trans-39.1124.2-171.11790000114.7D293V291-D293 HydrophobicContact CG1-CB 4.02Å
292L39.9Very low46Very low152 Ų152113 Ų11380%0.79662%0.615SS**  trans-116.355.7164.2-75.2175.9000109.8
293D40.3Very low43.3Very low145 Ų145120.3 Ų120.378%0.77565%0.649SS**  trans-136.18.5178.8-68.2-70.4000112.8V291V291-D293 HydrophobicContact CG1-CB 4.02Å
294N34.3Very low40.8Very low145 Ų145120.2 Ų120.278%0.77565%0.649SS**  trans-11361.6-172.8-84.915.5000113.8
295E32.8Very low38.7Very low204 Ų204125 Ų12595%0.95368%0.683SS**  trans-121.643168.1-71.3-156.2134.700113.2
296S35Very low37Very low118 Ų118130.1 Ų130.183%0.82571%0.71SS**SBendtrans-156.2100.9164.562.20000111.5
297G32.6Very low35.7Very low77 Ų77134.6 Ų134.679%0.79473%0.734SS**  trans151.467.7173.900000116.5N299G297-N299 PolarHBondContact O-N 2.91Å
298L33.4Very low35.2Very low164 Ų164134.9 Ų134.986%0.85973%0.73SS**  trans-70.2119.7148.7-71.194.9000107.6
299N36.1Very low35Very low145 Ų145136.9 Ų136.978%0.77575%0.749SS**  trans170.1112.8132.9-85.2-26.9000112.6G297G297-N299 PolarHBondContact O-N 2.91Å
300N32.8Very low35Very low138 Ų138138.4 Ų138.474%0.73876%0.759SS**  trans40.4132.5141.8-67-12.9000123.2
301T35.5Very low35.4Very low116 Ų116138.7 Ų138.771%0.71275%0.75SS**  trans68.8102.6140.551.10000121.1
302Q33.6Very low36Very low166 Ų166145 Ų14578%0.77677%0.765SS**  trans72.7139.5136.1-52.9-174.112.500120.5
303Q32.5Very low36.9Very low168 Ų168139.7 Ų139.779%0.78574%0.736SS**  trans87.6139.2162-49.9-176.927.800119
304Q30.7Very low38.7Very low161 Ų161138.1 Ų138.175%0.75272%0.722SS**  trans68.4120169.4-58.1-171.34.800119.4Q306Q304-Q306 PolarHBondContact O-N 3.12Å
305P30.5Very low41.4Very low121 Ų121131.2 Ų131.279%0.78669%0.686SS**  trans-86.691.3177.534.6-33.5000112.1N307P305-N307 PolarHBondContact O-N 3.16Å
306Q31.6Very low44.4Very low180 Ų180121.7 Ų121.784%0.84164%0.642SS**  trans-74.557.9172.1-66-167.21.500112.6Q304 D308Q304-Q306 PolarHBondContact O-N 3.12Å; Q306-D308 PolarHBondContact O-N 3.01Å
307N30.2Very low47.2Very low129 Ų129116.3 Ų116.369%0.6960%0.604SS**  trans-84.428.4-167.8-1557.1000114P305P305-N307 PolarHBondContact O-N 3.16Å
308D36Very low50.2Low99 Ų99112.6 Ų112.653%0.52957%0.566SS.*  trans-125.814.3-146.6-151.719.5000115.3Q306 K311Q306-D308 PolarHBondContact O-N 3.01Å; D308-K311 VanDerWaalsContact O-CD 3.26Å; D308-K311 WeakPolarHBondContact O-CD 3.25Å; D308-K311 VanDerWaalsContact O-CE 3.26Å; D308-K311 WeakPolarHBondContact O-CE 3.45Å; D308-K311 WeakPolarHBondContact O-CG 3.17Å; D308-K311 PolarHBondContact O-NZ 3.5Å; D308-K311 WeakPolarHBondContact OD1-CE 3.23Å; D308-K311 IonicContact OD1-NZ 3.25Å; D308-K311 PolarHBondContact OD1-NZ 3.37Å; D308-K311 IonicContact OD2-NZ 2.72Å; D308-K311 PolarHBondContact OD2-NZ 3.45Å
309V39.8Very low53Low141 Ų141106.7 Ų106.786%0.85554%0.54SS*.SBendtrans-110.4-13.6174.2-176.70000112.7K311V309-K311 PolarHBondContact O-N 3.32Å
310I41.4Very low55.6Low133 Ų133105 Ų10568%0.68253%0.528SS*.SBendtrans-74.731.7175.1-37.4-179.6000111.3R312I310-R312 PolarHBondContact O-N 2.92Å
311K47.7Very low58.3Low123 Ų123101.2 Ų101.254%0.53551%0.506SS..  trans-73.9111.3-163.4-86.5178.1167120.90113.3D308 V309D308-K311 VanDerWaalsContact O-CD 3.26Å; D308-K311 WeakPolarHBondContact O-CD 3.25Å; D308-K311 VanDerWaalsContact O-CE 3.26Å; D308-K311 WeakPolarHBondContact O-CE 3.45Å; D308-K311 WeakPolarHBondContact O-CG 3.17Å; D308-K311 PolarHBondContact O-NZ 3.5Å; D308-K311 WeakPolarHBondContact OD1-CE 3.23Å; D308-K311 IonicContact OD1-NZ 3.25Å; D308-K311 PolarHBondContact OD1-NZ 3.37Å; D308-K311 IonicContact OD2-NZ 2.72Å; D308-K311 PolarHBondContact OD2-NZ 3.45Å; V309-K311 PolarHBondContact O-N 3.32Å
312R50.5Low60.9Low219 Ų21996.9 Ų96.983%0.82648%0.479SS*.  trans46.2118.9153.1-68.7-180171175.1-3.6117.5I310 K314I310-R312 PolarHBondContact O-N 2.92Å; R312-K314 WeakPolarHBondContact O-CG 3.37Å; R312-K314 PolarHBondContact O-N 3.37Å
313Q58Low63.5Low41 Ų4190.1 Ų90.119%0.19245%0.449CS..  trans-55.9120.9161-75.2174.961.200110W284 R285 I315W284-Q313 VanDerWaalsContact N-OE1 3.09Å; R285-Q313 HydrophobicContact CG-CG 4.26Å; Q313-I315 VanDerWaalsContact C-N 3.26Å; Q313-I315 PolarHBondContact O-N 3.21Å
314K77.8Confident65.7Low113 Ų11394.1 Ų94.149%0.49146%0.457SS..EExtended strand (participates in β ladder)trans-94.653.1178.6-48.7-177.7-174.1-177.10110.2R312 S337 M338R312-K314 WeakPolarHBondContact O-CG 3.37Å; R312-K314 PolarHBondContact O-N 3.37Å; K314-S337 WeakPolarHBondContact CB-O 3.26Å; K314-S337 PolarHBondContact O-N 3.38Å; K314-M338 HydrophobicContact CD-CB 4.21Å; K314-M338 HydrophobicContact CD-CG 4.07Å
315I91.7Very high67.8Low0 Ų090.9 Ų90.90%045%0.448CS..EExtended strand (participates in β ladder)trans-110.5127169.7-50.5176.9000108.1R281 L282 W284 Q313 V334 V335 M336 I339 I344R281-I315 WeakPolarHBondContact CA-O 3.45Å; L282-I315 HydrophobicContact CB-CB 4.17Å; L282-I315 HydrophobicContact CB-CG2 3.77Å; L282-I315 HydrophobicContact CD1-CG2 3.93Å; L282-I315 HydrophobicContact CG-CG2 4.45Å; L282-I315 PolarHBondContact N-O 3.47Å; W284-I315 HydrophobicContact CB-CD1 4.06Å; W284-I315 HydrophobicContact CE3-CG2 4.38Å; Q313-I315 VanDerWaalsContact C-N 3.26Å; Q313-I315 PolarHBondContact O-N 3.21Å; I315-V334 HydrophobicContact CG2-CG1 4.41Å; I315-V335 VanDerWaalsContact CA-O 3.27Å; I315-V335 WeakPolarHBondContact CA-O 3.4Å; I315-M336 HydrophobicContact CD1-CG 4.5Å; I315-M336 HydrophobicContact CG1-CG 4.19Å; I315-M336 HydrophobicContact CG2-CG 4.06Å; I315-I339 HydrophobicContact CD1-CD1 4.08Å; I315-I339 HydrophobicContact CG1-CD1 3.83Å; I315-I344 HydrophobicContact CD1-CD1 3.88Å
316A94.4Very high69.5Low4 Ų487.6 Ų87.63%0.03344%0.437CS..EExtended strand (participates in β ladder)trans-139.9153.5-176.300000111.8C275 R280 V334 V335C275-A316 WeakPolarHBondContact O-CB 3.45Å; R280-A316 CarbonylContact O-C 3.59Å; R280-A316 WeakPolarHBondContact O-CA 3.33Å; A316-V334 WeakPolarHBondContact O-CA 3.43Å; A316-V335 PolarHBondContact N-O 3.25Å; A316-V335 PolarHBondContact O-N 2.89Å
317T95.7Very high71.1Confident4 Ų480.6 Ų80.63%0.02541%0.413CS..EExtended strand (participates in β ladder)trans-142.8142.3171.6-175.80000112.8G279 R280 L282 A319 H320 L333G279-T317 CarbonylContact C-O 3.5Å; G279-T317 VanDerWaalsContact CA-O 3.31Å; G279-T317 WeakPolarHBondContact CA-O 3.44Å; R280-T317 HydrophobicContact CB-CG2 4.32Å; R280-T317 PolarHBondContact N-O 2.99Å; R280-T317 PolarHBondContact O-N 3.27Å; L282-T317 HydrophobicContact CD1-CG2 3.62Å; L282-T317 HydrophobicContact CD2-CG2 4.11Å; L282-T317 HydrophobicContact CG-CG2 3.97Å; T317-A319 HydrophobicContact CG2-CB 4.42Å; T317-A319 VanDerWaalsContact OG1-CB 3.28Å; T317-A319 WeakPolarHBondContact OG1-CB 3.48Å; T317-A319 PolarHBondContact OG1-N 3.35Å; T317-A319 VanDerWaalsContact OG1-N 3.11Å; T317-H320 PolarHBondContact O-CE1 2.74Å; T317-L333 WeakPolarHBondContact CA-O 3.42Å; T317-L333 WeakPolarHBondContact CB-O 3.36Å; T317-L333 PolarHBondContact OG1-O 3.48Å
318N94.8Very high73Confident0 Ų077 Ų770%039%0.392CS..  trans-93.38.8170.771.7-4.1000112.5C275 H320 Q321 V322 N331 L333C275-N318 HydrophobicContact CB-CB 4.25Å; C275-N318 PolarHBondContact SG-N 2.78Å; N318-H320 PolarHBondContact O-N 2.72Å; N318-Q321 WeakPolarHBondContact O-CA 3.44Å; N318-Q321 WeakPolarHBondContact O-CB 3.42Å; N318-Q321 PolarHBondContact O-N 2.73Å; N318-V322 PolarHBondContact O-N 3.44Å; N318-N331 PolarHBondContact ND2-O 3.08Å; N318-N331 PolarHBondContact OD1-O 2.87Å; N318-L333 PolarHBondContact N-O 2.99Å; N318-L333 PolarHBondContact OD1-N 2.76Å
319A92.2Very high75.2Confident39 Ų3975.2 Ų75.232%0.32239%0.387SS..THydrogen-bonded Turntrans-62.1-0.6-172.800000116.4T317 K332T317-A319 HydrophobicContact CG2-CB 4.42Å; T317-A319 VanDerWaalsContact OG1-CB 3.28Å; T317-A319 WeakPolarHBondContact OG1-CB 3.48Å; T317-A319 PolarHBondContact OG1-N 3.35Å; T317-A319 VanDerWaalsContact OG1-N 3.11Å; A319-K332 HydrophobicContact CB-CD 4.36Å; A319-K332 HydrophobicContact CB-CG 3.9Å
320H90.5Very high77.3Confident111 Ų11168.9 Ų68.951%0.51435%0.35SS..THydrogen-bonded Turntrans-106.8-7.6173.866-71.8000112.9R280 T317 N318R280-H320 PolarHBondContact N-CE1 3.25Å; R280-H320 VanDerWaalsContact N-CE1 3.3Å; T317-H320 PolarHBondContact O-CE1 2.74Å; N318-H320 PolarHBondContact O-N 2.72Å
321Q90.2Very high79.8Confident58 Ų5863.1 Ų63.127%0.27132%0.321SS..THydrogen-bonded Turntrans-103.7-26.1177.8-61168.3-11.600111.6N278 N318 P323N278-Q321 PolarHBondContact O-NE2 2.85Å; N318-Q321 WeakPolarHBondContact O-CA 3.44Å; N318-Q321 WeakPolarHBondContact O-CB 3.42Å; N318-Q321 PolarHBondContact O-N 2.73Å; Q321-P323 WeakPolarHBondContact O-CD 3.47Å
322V90.2Very high82Confident25 Ų2559.7 Ų59.715%0.15231%0.306CS..SBendtrans-79.8124.3179.3-1790000109.4F270 N318 N331F270-V322 HydrophobicContact CD1-CG2 3.63Å; F270-V322 HydrophobicContact CE1-CB 4.46Å; F270-V322 HydrophobicContact CE1-CG2 3.9Å; F270-V322 HydrophobicContact CG-CG2 4.24Å; N318-V322 PolarHBondContact O-N 3.44Å; V322-N331 HydrophobicContact CG1-CB 4.09Å; V322-N331 HydrophobicContact CG2-CB 4.3Å; V322-N331 WeakPolarHBondContact CG2-O 3.32Å
323P86.7Confident84.1Confident24 Ų2449.7 Ų49.716%0.15627%0.269CS..  trans-54.6149.5173.6-31.940.1000113.8G224 R225 L227 Q321G224-P323 WeakPolarHBondContact O-CG 3.44Å; R225-P323 VanDerWaalsContact O-CB 3.31Å; R225-P323 WeakPolarHBondContact O-CB 3.41Å; R225-P323 VanDerWaalsContact O-CG 3.29Å; R225-P323 WeakPolarHBondContact O-CG 3.09Å; L227-P323 HydrophobicContact CD2-CG 3.96Å; L227-P323 HydrophobicContact CG-CB 4.12Å; L227-P323 HydrophobicContact CG-CG 3.82Å; Q321-P323 WeakPolarHBondContact O-CD 3.47Å
324R80Confident85.9Confident251 Ų25147.7 Ų47.795%0.94726%0.26SS*.SBendtrans-85-9.9175.7-64-172.8179.5-163.21.3113.6
325T73.9Confident86.7Confident93 Ų9342.6 Ų42.657%0.57124%0.238SC*.SBendtrans-137.6135.2-170.147.60000110.8
326G66.9Low86.9Confident53 Ų5342.6 Ų42.655%0.54624%0.238SC..BIsolated β-bridgetrans83.9169.3-179.700000114.2L227L227-G326 CarbonylContact O-C 3.51Å; L227-G326 VanDerWaalsContact O-CA 3.23Å; L227-G326 WeakPolarHBondContact O-CA 3.47Å
327G63.9Low86.8Confident32 Ų3243.2 Ų43.233%0.3324%0.242SC..SBendtrans67.8-169.8177.600000115L227L227-G327 PolarHBondContact O-N 2.91Å
328H70.4Confident86.5Confident55 Ų5546.6 Ų46.626%0.25526%0.258SS..  trans-98.7151-178-62.5-63.5000112.7R14 D214R14-H328 VanDerWaalsContact CZ-CB 3.42Å; R14-H328 VanDerWaalsContact CZ-CG 3.48Å; R14-H328 PolarHBondContact NE-CD2 2.9Å; R14-H328 VanDerWaalsContact NE-CD2 3.33Å; R14-H328 PolarHBondContact NH1-CD2 3.06Å; D214-H328 PolarHBondContact O-NE2 3.23Å
329S82Confident86.3Confident60 Ų6046.7 Ų46.742%0.4226%0.259SS..THydrogen-bonded Turntrans-61.2153.6169.9440000112.3R373S329-R373 PolarHBondContact OG-NH1 2.78Å; S329-R373 VanDerWaalsContact OG-NH1 3.09Å; S329-R373 PolarHBondContact OG-NH2 3.06Å
330G85.4Confident86.1Confident9 Ų946.2 Ų46.29%0.09325%0.253CS..THydrogen-bonded Turntrans122.6-29.6175.600000114.9K332 T355G330-K332 VanDerWaalsContact C-N 3.34Å; G330-K332 PolarHBondContact O-N 3Å; G330-T355 PolarHBondContact O-OG1 2.71Å
331N92Very high85.9Confident12 Ų1248.2 Ų48.26%0.06426%0.256CS..  trans-70.3-22.2-173-72.3-23.9000115.1E218 F270 N318 V322 L333E218-N331 PolarHBondContact OE1-ND2 3.29Å; E218-N331 PolarHBondContact OE1-OD1 2.67Å; F270-N331 HydrophobicContact CB-CB 4.03Å; F270-N331 HydrophobicContact CD2-CB 3.87Å; F270-N331 HydrophobicContact CG-CB 3.98Å; N318-N331 PolarHBondContact ND2-O 3.08Å; N318-N331 PolarHBondContact OD1-O 2.87Å; V322-N331 HydrophobicContact CG1-CB 4.09Å; V322-N331 HydrophobicContact CG2-CB 4.3Å; V322-N331 WeakPolarHBondContact CG2-O 3.32Å; N331-L333 PolarHBondContact O-N 2.89Å; N331-L333 VanDerWaalsContact O-N 3.09Å
332K94.2Very high85.6Confident50 Ų5045.9 Ų45.922%0.21725%0.245CC..  trans-69.6101.2172.8-175.8-176.2178.3-176.20109.4A319 G330 A349 T350 D352 A354 T355A319-K332 HydrophobicContact CB-CD 4.36Å; A319-K332 HydrophobicContact CB-CG 3.9Å; G330-K332 VanDerWaalsContact C-N 3.34Å; G330-K332 PolarHBondContact O-N 3Å; K332-A349 PolarHBondContact NZ-O 3.21Å; K332-T350 WeakPolarHBondContact CE-O 3.3Å; K332-D352 PolarHBondContact NZ-O 2.86Å; K332-A354 HydrophobicContact CD-CB 4.01Å; K332-A354 HydrophobicContact CG-CB 3.92Å; K332-A354 CarbonylContact O-C 3.57Å; K332-A354 VanDerWaalsContact O-CA 3.26Å; K332-A354 WeakPolarHBondContact O-CA 3.23Å; K332-A354 WeakPolarHBondContact O-CB 3.47Å; K332-T355 PolarHBondContact O-N 2.87Å
333L94.9Very high85.4Confident9 Ų945.1 Ų45.15%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-96.8144.1179.8-59.1-164.5000112.6F270 V272 C275 T317 N318 N331 V335 T355F270-L333 WeakPolarHBondContact O-CD1 3.17Å; V272-L333 HydrophobicContact CG2-CD1 4.03Å; C275-L333 HydrophobicContact CB-CB 4.37Å; C275-L333 HydrophobicContact CB-CD1 4.07Å; T317-L333 WeakPolarHBondContact CA-O 3.42Å; T317-L333 WeakPolarHBondContact CB-O 3.36Å; T317-L333 PolarHBondContact OG1-O 3.48Å; N318-L333 PolarHBondContact N-O 2.99Å; N318-L333 PolarHBondContact OD1-N 2.76Å; N331-L333 PolarHBondContact O-N 2.89Å; N331-L333 VanDerWaalsContact O-N 3.09Å; L333-V335 HydrophobicContact CB-CG2 4.49Å; L333-T355 WeakPolarHBondContact CA-O 3.1Å; L333-T355 HydrophobicContact CD2-CG2 4.01Å
334V95.9Very high85.5Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-124.2123155.6178.70000107.8L282 W284 I315 A316 M336 L351 A354 T355 L356 K357L282-V334 HydrophobicContact CD1-CG1 4.36Å; W284-V334 HydrophobicContact CH2-CG1 4.14Å; W284-V334 HydrophobicContact CZ3-CG1 4.13Å; I315-V334 HydrophobicContact CG2-CG1 4.41Å; A316-V334 WeakPolarHBondContact O-CA 3.43Å; V334-M336 HydrophobicContact CG1-CE 4.39Å; V334-L351 HydrophobicContact CB-CD2 4.11Å; V334-L351 HydrophobicContact CG1-CD2 4.12Å; V334-L351 HydrophobicContact CG2-CD2 4.04Å; V334-A354 HydrophobicContact CG2-CB 4.15Å; V334-T355 PolarHBondContact N-O 3.41Å; V334-L356 HydrophobicContact CB-CD1 4.13Å; V334-L356 HydrophobicContact CG1-CD1 3.98Å; V334-L356 CarbonylContact O-C 3.55Å; V334-L356 WeakPolarHBondContact O-CA 3.21Å; V334-K357 PolarHBondContact O-N 2.82Å
335V95.5Very high85.9Confident5 Ų532.1 Ų32.13%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-113.4125.9-178.2-179.50000109.4V272 C275 I276 I315 A316 L333 K357V272-V335 HydrophobicContact CG1-CG1 4.39Å; V272-V335 HydrophobicContact CG1-CG2 4.23Å; C275-V335 HydrophobicContact CB-CG2 4.37Å; I276-V335 HydrophobicContact CD1-CG1 4.16Å; I276-V335 HydrophobicContact CG1-CG1 4.11Å; I315-V335 VanDerWaalsContact CA-O 3.27Å; I315-V335 WeakPolarHBondContact CA-O 3.4Å; A316-V335 PolarHBondContact N-O 3.25Å; A316-V335 PolarHBondContact O-N 2.89Å; L333-V335 HydrophobicContact CB-CG2 4.49Å; V335-K357 WeakPolarHBondContact CA-O 3.23Å
336M94.5Very high86.5Confident0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-117.7118.4174.2-61.4-172.6-176.600109.6W284 I315 V334 I339 L356 K357 I358 H359 L368W284-M336 HydrophobicContact CE3-CE 3.65Å; W284-M336 HydrophobicContact CZ3-CE 3.49Å; W284-M336 VanDerWaalsContact CZ3-CE 3.49Å; I315-M336 HydrophobicContact CD1-CG 4.5Å; I315-M336 HydrophobicContact CG1-CG 4.19Å; I315-M336 HydrophobicContact CG2-CG 4.06Å; V334-M336 HydrophobicContact CG1-CE 4.39Å; M336-I339 HydrophobicContact CB-CG1 4.09Å; M336-L356 HydrophobicContact CE-CD1 3.97Å; M336-L356 HydrophobicContact CG-CD1 4.15Å; M336-L356 HydrophobicContact SD-CD1 4.25Å; M336-K357 PolarHBondContact N-O 3.34Å; M336-I358 HydrophobicContact CB-CG1 4.25Å; M336-I358 HydrophobicContact CB-CG2 4.27Å; M336-I358 CarbonylContact O-C 3.53Å; M336-I358 VanDerWaalsContact O-CA 3.32Å; M336-I358 WeakPolarHBondContact O-CA 3.4Å; M336-I358 HydrophobicContact SD-CD1 4.15Å; M336-I358 HydrophobicContact SD-CG1 4.35Å; M336-H359 PolarHBondContact O-N 3.14Å; M336-L368 HydrophobicContact CE-CD1 3.74Å; M336-L368 HydrophobicContact CE-CD2 4.07Å; M336-L368 HydrophobicContact SD-CD1 4.15Å
337S92.1Very high87.5Confident18 Ų1829.5 Ų29.513%0.12616%0.156CC..EExtended strand (participates in β ladder)trans-122.7145.1179-79.70000113K314 I339 H359K314-S337 WeakPolarHBondContact CB-O 3.26Å; K314-S337 PolarHBondContact O-N 3.38Å; S337-I339 PolarHBondContact O-N 2.61Å; S337-I339 VanDerWaalsContact O-N 3.1Å; S337-H359 CarbonylContact C-O 3.58Å; S337-H359 WeakPolarHBondContact CA-O 3.47Å
338M89.9Confident88.6Confident74 Ų7428.8 Ų28.837%0.36515%0.146SC..SBendtrans5430173-52.9-68.6-6600114.4K314 S340 H359 R360K314-M338 HydrophobicContact CD-CB 4.21Å; K314-M338 HydrophobicContact CD-CG 4.07Å; M338-S340 PolarHBondContact O-N 2.87Å; M338-H359 PolarHBondContact N-O 3.45Å; M338-R360 HydrophobicContact SD-CB 3.53Å; M338-R360 VanDerWaalsContact SD-CB 3.53Å; M338-R360 WeakPolarHBondContact SD-CD 3.27Å; M338-R360 HydrophobicContact SD-CG 4.11Å
339I90.2Very high89.6Confident2 Ų229.4 Ų29.41%0.0116%0.161CC..  trans-67.2122.1177.1-52.3-56.3000108.5I315 M336 S337 Q342 I344 A361 H362 L366I315-I339 HydrophobicContact CD1-CD1 4.08Å; I315-I339 HydrophobicContact CG1-CD1 3.83Å; M336-I339 HydrophobicContact CB-CG1 4.09Å; S337-I339 PolarHBondContact O-N 2.61Å; S337-I339 VanDerWaalsContact O-N 3.1Å; I339-Q342 HydrophobicContact CG2-CB 3.95Å; I339-I344 HydrophobicContact CG2-CD1 4.04Å; I339-A361 HydrophobicContact CB-CB 3.93Å; I339-A361 HydrophobicContact CG1-CB 4.47Å; I339-A361 CarbonylContact O-C 3.58Å; I339-A361 WeakPolarHBondContact O-CA 3.39Å; I339-H362 PolarHBondContact O-N 2.99Å; I339-L366 HydrophobicContact CG2-CD2 4.34Å
340S89Confident90Very high29 Ų2928.2 Ų28.220%0.20315%0.152CC..BIsolated β-bridgetrans-139.3134.6-174.2-172.60000112.1M338 Q342 H362M338-S340 PolarHBondContact O-N 2.87Å; S340-Q342 WeakPolarHBondContact O-CG 3.43Å; S340-Q342 PolarHBondContact O-N 2.94Å; S340-Q342 PolarHBondContact O-NE2 3.43Å; S340-H362 WeakPolarHBondContact CA-O 3.48Å; S340-H362 WeakPolarHBondContact CB-NE2 3.19Å; S340-H362 PolarHBondContact OG-CD2 3.29Å; S340-H362 VanDerWaalsContact OG-CD2 3.29Å; S340-H362 PolarHBondContact OG-CE1 3.16Å; S340-H362 PolarHBondContact OG-NE2 3.04Å
341R86.4Confident90.4Very high153 Ų15327.8 Ų27.858%0.57715%0.147SC*.SBendtrans52.836.1177.7-40.6-154.7172.6-137.73.7113.8Q289 H362 C363 S364Q289-R341 PolarHBondContact NE2-O 3.28Å; R341-H362 PolarHBondContact N-O 3.25Å; R341-C363 VanDerWaalsContact CA-O 3.3Å; R341-C363 WeakPolarHBondContact CA-O 3.32Å; R341-C363 PolarHBondContact N-O 2.91Å; R341-S364 PolarHBondContact N-OG 2.64Å
342Q84.4Confident90.5Very high10 Ų1029.7 Ų29.75%0.04716%0.157CC..  trans-119.3152.2-173.8-81.8153.476.600111.8R285 I339 S340 S364 Y365R285-Q342 HydrophobicContact CG-CG 4.29Å; I339-Q342 HydrophobicContact CG2-CB 3.95Å; S340-Q342 WeakPolarHBondContact O-CG 3.43Å; S340-Q342 PolarHBondContact O-N 2.94Å; S340-Q342 PolarHBondContact O-NE2 3.43Å; Q342-S364 PolarHBondContact N-OG 3.42Å; Q342-S364 CarbonylContact O-C 3.48Å; Q342-S364 VanDerWaalsContact O-CA 3.28Å; Q342-S364 WeakPolarHBondContact O-CA 3.29Å; Q342-S364 VanDerWaalsContact O-CB 3.22Å; Q342-S364 WeakPolarHBondContact O-CB 3.37Å; Q342-Y365 PolarHBondContact O-N 2.86Å
343I86.2Confident90.5Very high9 Ų929 Ų295%0.04617%0.165CC..EExtended strand (participates in β ladder)trans-108131.8159.5-61.3-168.6000108.2L286 Y365 Y367 Q673 L676 L677L286-I343 HydrophobicContact CD1-CB 4.4Å; L286-I343 HydrophobicContact CD1-CG2 4.19Å; I343-Y365 VanDerWaalsContact CA-O 3.31Å; I343-Y365 WeakPolarHBondContact CA-O 3.47Å; I343-Y365 HydrophobicContact CD1-CD2 4.12Å; I343-Y365 HydrophobicContact CD1-CG 4.43Å; I343-Y365 HydrophobicContact CG1-CD2 3.93Å; I343-Y365 HydrophobicContact CG1-CG 4.34Å; I343-Y367 HydrophobicContact CG2-CD2 4.31Å; I343-Y367 HydrophobicContact CG2-CE2 4.16Å; I343-Q673 HydrophobicContact CD1-CG 4.44Å; I343-L676 HydrophobicContact CD1-CB 3.47Å; I343-L676 VanDerWaalsContact CD1-CB 3.47Å; I343-L676 HydrophobicContact CD1-CD1 4.45Å; I343-L676 HydrophobicContact CG1-CB 3.7Å; I343-L676 HydrophobicContact CG1-CD1 4.11Å; I343-L677 HydrophobicContact CD1-CD2 3.88Å; I343-L677 HydrophobicContact CD1-CG 3.76Å; I343-L677 HydrophobicContact CG2-CD2 4.42Å
344I88.1Confident90.5Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-129.3107.8173.5-57.9-179.9000107.6W284 I315 I339 R346 Y365 L366 Y367 L368W284-I344 HydrophobicContact CB-CG2 4Å; I315-I344 HydrophobicContact CD1-CD1 3.88Å; I339-I344 HydrophobicContact CG2-CD1 4.04Å; I344-R346 HydrophobicContact CG2-CG 4.17Å; I344-Y365 PolarHBondContact N-O 3.46Å; I344-L366 HydrophobicContact CB-CD2 3.77Å; I344-L366 HydrophobicContact CD1-CD2 3.92Å; I344-L366 HydrophobicContact CG1-CD2 3.93Å; I344-Y367 PolarHBondContact O-N 3.5Å; I344-L368 HydrophobicContact CG2-CD2 4.04Å
345A87.4Confident90.5Very high2 Ų228.8 Ų28.82%0.01716%0.164CC..EExtended strand (participates in β ladder)trans-114.5114.8174.700000109.8Y367 L547A345-Y367 CarbonylContact C-O 3.57Å; A345-Y367 WeakPolarHBondContact CA-O 3.33Å; A345-Y367 HydrophobicContact CB-CD2 4.16Å; A345-L547 HydrophobicContact CB-CD2 4.11Å
346R87.2Confident90.6Very high60 Ų6028.6 Ų28.623%0.22616%0.162CC..EExtended strand (participates in β ladder)trans-148.7123.8-176.3-66-62.9-178.4-93.34.2112.1W284 R285 I344 Y367 L368 L369W284-R346 HydrophobicContact CD2-CG 4.3Å; W284-R346 HydrophobicContact CE3-CG 4.47Å; W284-R346 HydrophobicContact CG-CG 4.32Å; W284-R346 PolarHBondContact O-NH2 3.09Å; R285-R346 PolarHBondContact O-NH2 3.36Å; I344-R346 HydrophobicContact CG2-CG 4.17Å; R346-Y367 PolarHBondContact N-O 3.14Å; R346-L368 HydrophobicContact CB-CD2 4.49Å; R346-L368 CarbonylContact O-C 3.44Å; R346-L368 WeakPolarHBondContact O-CA 3.48Å; R346-L369 PolarHBondContact O-N 2.93Å
347S87.4Confident90.7Very high30 Ų3029.9 Ų29.921%0.2117%0.168CC..  trans-75.1141.1136.2164.60000106.8L547 E552S347-L547 VanDerWaalsContact N-CD1 3.32Å; S347-E552 PolarHBondContact OG-OE2 3.08Å
348S87.8Confident90.9Very high17 Ų1729.1 Ų29.112%0.11916%0.162CC..  trans-160.7139.7162.4-1670000115.6T350 L351 D352 S370 E552S348-T350 WeakPolarHBondContact CB-OG1 3.35Å; S348-T350 PolarHBondContact O-N 2.89Å; S348-T350 VanDerWaalsContact O-N 3.09Å; S348-T350 PolarHBondContact OG-N 3.5Å; S348-T350 PolarHBondContact OG-OG1 3.37Å; S348-L351 PolarHBondContact O-N 2.97Å; S348-D352 PolarHBondContact O-N 3.14Å; S348-S370 PolarHBondContact N-OG 3.07Å; S348-S370 PolarHBondContact O-OG 3.13Å; S348-E552 VanDerWaalsContact CA-OE1 3.24Å; S348-E552 WeakPolarHBondContact CA-OE1 3.18Å; S348-E552 PolarHBondContact OG-OE1 3.42Å
349A90.4Very high91.1Very high69 Ų6928.2 Ų28.257%0.5716%0.157SC*.THydrogen-bonded Turntrans-57.5-18.5167.700000113.8K332 D352K332-A349 PolarHBondContact NZ-O 3.21Å; A349-D352 WeakPolarHBondContact O-CB 3.3Å
350T91.8Very high91.3Very high35 Ų3533.5 Ų33.522%0.21518%0.177CC..THydrogen-bonded Turntrans-69.6-29.6171.356.30000113.3W284 K332 S348W284-T350 VanDerWaalsContact CH2-OG1 3.29Å; W284-T350 WeakPolarHBondContact CH2-OG1 3.16Å; W284-T350 HydrophobicContact CZ2-CG2 4.41Å; W284-T350 WeakPolarHBondContact CZ2-OG1 3.47Å; K332-T350 WeakPolarHBondContact CE-O 3.3Å; S348-T350 WeakPolarHBondContact CB-OG1 3.35Å; S348-T350 PolarHBondContact O-N 2.89Å; S348-T350 VanDerWaalsContact O-N 3.09Å; S348-T350 PolarHBondContact OG-N 3.5Å; S348-T350 PolarHBondContact OG-OG1 3.37Å
351L94.1Very high91.5Very high0 Ų032.1 Ų32.10%017%0.167CC..THydrogen-bonded Turntrans-89.2-20.4175.7-70.5166.7000112.7W284 V334 S348 G353 A354 L356 L368 M372W284-L351 HydrophobicContact CH2-CD1 4.23Å; W284-L351 HydrophobicContact CH2-CD2 4.17Å; W284-L351 HydrophobicContact CH2-CG 3.88Å; W284-L351 HydrophobicContact CZ3-CD1 4.1Å; W284-L351 HydrophobicContact CZ3-CD2 4.16Å; W284-L351 HydrophobicContact CZ3-CG 4.12Å; V334-L351 HydrophobicContact CB-CD2 4.11Å; V334-L351 HydrophobicContact CG1-CD2 4.12Å; V334-L351 HydrophobicContact CG2-CD2 4.04Å; S348-L351 PolarHBondContact O-N 2.97Å; L351-G353 PolarHBondContact O-N 2.8Å; L351-G353 VanDerWaalsContact O-N 3.14Å; L351-A354 VanDerWaalsContact O-CB 3.26Å; L351-A354 WeakPolarHBondContact O-CB 3.44Å; L351-A354 PolarHBondContact O-N 3.19Å; L351-L356 HydrophobicContact CD2-CD1 4.28Å; L351-L356 HydrophobicContact CD2-CD2 4.43Å; L351-L368 HydrophobicContact CD1-CB 4.2Å; L351-L368 HydrophobicContact CD1-CD2 4.26Å; L351-M372 HydrophobicContact CB-CG 4.35Å; L351-M372 HydrophobicContact CD2-SD 4.32Å
352D93.8Very high91.9Very high51 Ų5128 Ų2827%0.27316%0.155SC..THydrogen-bonded Turntrans-54.2112.7-179.1-173.330.4000112.3K332 S348 A349 A354 P371 K495K332-D352 PolarHBondContact NZ-O 2.86Å; S348-D352 PolarHBondContact O-N 3.14Å; A349-D352 WeakPolarHBondContact O-CB 3.3Å; D352-A354 PolarHBondContact O-N 3.01Å; D352-P371 CarbonylContact C-O 3.54Å; D352-P371 VanDerWaalsContact CA-O 3.29Å; D352-P371 WeakPolarHBondContact CA-O 3.41Å; D352-P371 WeakPolarHBondContact OD1-CG 3.39Å; D352-K495 IonicContact OD1-NZ 3.39Å; D352-K495 PolarHBondContact OD1-NZ 3.34Å; D352-K495 IonicContact OD2-NZ 3.54Å; D352-K495 PolarHBondContact OD2-NZ 3.25Å
353G93.5Very high92.2Very high37 Ų3728.9 Ų28.938%0.38116%0.162SC..THydrogen-bonded Turntrans64.215.3-175.400000115L351 P371 R373L351-G353 PolarHBondContact O-N 2.8Å; L351-G353 VanDerWaalsContact O-N 3.14Å; G353-P371 PolarHBondContact N-O 3.03Å; G353-R373 WeakPolarHBondContact O-CB 3.29Å
354A95.3Very high92.4Very high0 Ų028.5 Ų28.50%016%0.16CC..  trans-88.6151.1-179.300000112.6K332 V334 L351 D352 R373K332-A354 HydrophobicContact CD-CB 4.01Å; K332-A354 HydrophobicContact CG-CB 3.92Å; K332-A354 CarbonylContact O-C 3.57Å; K332-A354 VanDerWaalsContact O-CA 3.26Å; K332-A354 WeakPolarHBondContact O-CA 3.23Å; K332-A354 WeakPolarHBondContact O-CB 3.47Å; V334-A354 HydrophobicContact CG2-CB 4.15Å; L351-A354 VanDerWaalsContact O-CB 3.26Å; L351-A354 WeakPolarHBondContact O-CB 3.44Å; L351-A354 PolarHBondContact O-N 3.19Å; D352-A354 PolarHBondContact O-N 3.01Å; A354-R373 PolarHBondContact O-N 3.24Å
355T96.4Very high92.6Very high4 Ų429.6 Ų29.63%0.02516%0.164CC..EExtended strand (participates in β ladder)trans-85.3112.4166.4-58.30000108.8Y20 G330 K332 L333 V334 S374Y20-T355 HydrophobicContact CE2-CG2 3.97Å; Y20-T355 WeakPolarHBondContact OH-CG2 3.29Å; G330-T355 PolarHBondContact O-OG1 2.71Å; K332-T355 PolarHBondContact O-N 2.87Å; L333-T355 WeakPolarHBondContact CA-O 3.1Å; L333-T355 HydrophobicContact CD2-CG2 4.01Å; V334-T355 PolarHBondContact N-O 3.41Å; T355-S374 CarbonylContact C-O 3.21Å; T355-S374 WeakPolarHBondContact CA-O 3.29Å
356L97.1Very high92.9Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-97120-178.217362.5000110.6V334 M336 L351 I358 L368 M372 S374 V375 T376 L387V334-L356 HydrophobicContact CB-CD1 4.13Å; V334-L356 HydrophobicContact CG1-CD1 3.98Å; V334-L356 CarbonylContact O-C 3.55Å; V334-L356 WeakPolarHBondContact O-CA 3.21Å; M336-L356 HydrophobicContact CE-CD1 3.97Å; M336-L356 HydrophobicContact CG-CD1 4.15Å; M336-L356 HydrophobicContact SD-CD1 4.25Å; L351-L356 HydrophobicContact CD2-CD1 4.28Å; L351-L356 HydrophobicContact CD2-CD2 4.43Å; L356-I358 HydrophobicContact CD1-CG1 4.05Å; L356-I358 HydrophobicContact CD2-CD1 4.16Å; L356-I358 HydrophobicContact CD2-CG1 4.32Å; L356-I358 HydrophobicContact CG-CD1 4.38Å; L356-I358 HydrophobicContact CG-CG1 3.99Å; L356-L368 HydrophobicContact CD2-CD1 3.57Å; L356-M372 HydrophobicContact CB-SD 4.08Å; L356-M372 HydrophobicContact CD2-SD 3.56Å; L356-M372 VanDerWaalsContact CD2-SD 3.56Å; L356-M372 HydrophobicContact CG-SD 4.48Å; L356-S374 PolarHBondContact N-O 2.67Å; L356-V375 HydrophobicContact CB-CG1 4.29Å; L356-V375 HydrophobicContact CB-CG2 4.24Å; L356-V375 HydrophobicContact CD2-CG1 4.01Å; L356-V375 HydrophobicContact CD2-CG2 4.45Å; L356-V375 HydrophobicContact CG-CG1 4.17Å; L356-V375 CarbonylContact O-C 3.59Å; L356-V375 VanDerWaalsContact O-CA 3.29Å; L356-V375 WeakPolarHBondContact O-CA 3.38Å; L356-T376 PolarHBondContact O-N 2.92Å; L356-L387 HydrophobicContact CD2-CD2 4.38Å
357K96.1Very high93.2Very high28 Ų2826.7 Ų26.712%0.12215%0.153CC..EExtended strand (participates in β ladder)trans-114.1114.7172.7-59.9-164.9-169.5-178.60110.8E172 V272 V334 V335 M336E172-K357 IonicContact OE1-NZ 2.68Å; E172-K357 PolarHBondContact OE1-NZ 2.58Å; V272-K357 HydrophobicContact CG2-CD 3.58Å; V272-K357 VanDerWaalsContact CG2-NZ 3.28Å; V334-K357 PolarHBondContact O-N 2.82Å; V335-K357 WeakPolarHBondContact CA-O 3.23Å; M336-K357 PolarHBondContact N-O 3.34Å
358I96.5Very high93.5Very high1 Ų125.3 Ų25.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-105.8124.7175.9-48.2-169000109.4M336 L356 A361 L366 L368 T376 L377 D378 I385M336-I358 HydrophobicContact CB-CG1 4.25Å; M336-I358 HydrophobicContact CB-CG2 4.27Å; M336-I358 CarbonylContact O-C 3.53Å; M336-I358 VanDerWaalsContact O-CA 3.32Å; M336-I358 WeakPolarHBondContact O-CA 3.4Å; M336-I358 HydrophobicContact SD-CD1 4.15Å; M336-I358 HydrophobicContact SD-CG1 4.35Å; L356-I358 HydrophobicContact CD1-CG1 4.05Å; L356-I358 HydrophobicContact CD2-CD1 4.16Å; L356-I358 HydrophobicContact CD2-CG1 4.32Å; L356-I358 HydrophobicContact CG-CD1 4.38Å; L356-I358 HydrophobicContact CG-CG1 3.99Å; I358-A361 HydrophobicContact CG2-CB 3.46Å; I358-A361 VanDerWaalsContact CG2-CB 3.46Å; I358-L366 HydrophobicContact CD1-CD1 4.02Å; I358-L368 HydrophobicContact CD1-CD1 4.25Å; I358-T376 PolarHBondContact N-O 2.92Å; I358-L377 HydrophobicContact CB-CD2 3.8Å; I358-L377 HydrophobicContact CD1-CD2 3.76Å; I358-L377 HydrophobicContact CG1-CD2 3.92Å; I358-L377 WeakPolarHBondContact O-CA 3.18Å; I358-D378 PolarHBondContact O-N 2.87Å; I358-I385 HydrophobicContact CD1-CD1 3.66Å
359H94.9Very high93.9Very high55 Ų5524.8 Ų24.826%0.25514%0.139SC..EExtended strand (participates in β ladder)trans-133.6129.8-173.9171-129.1000111.9M336 S337 M338 A361 D378M336-H359 PolarHBondContact O-N 3.14Å; S337-H359 CarbonylContact C-O 3.58Å; S337-H359 WeakPolarHBondContact CA-O 3.47Å; M338-H359 PolarHBondContact N-O 3.45Å; H359-A361 PolarHBondContact O-N 2.75Å; H359-A361 VanDerWaalsContact O-N 3.12Å; H359-D378 WeakPolarHBondContact CA-O 3.24Å; H359-D378 IonicContact CD2-OD2 2.68Å; H359-D378 PolarHBondContact CD2-OD2 3.09Å; H359-D378 IonicContact NE2-OD2 2.71Å
360R93.8Very high94.1Very high114 Ų11421.6 Ų21.643%0.4311%0.112SC..SBendtrans55.923-178.9-59.9172.2-168.7-161.15.1114.9M338 H362 D378 K379M338-R360 HydrophobicContact SD-CB 3.53Å; M338-R360 VanDerWaalsContact SD-CB 3.53Å; M338-R360 WeakPolarHBondContact SD-CD 3.27Å; M338-R360 HydrophobicContact SD-CG 4.11Å; R360-H362 PolarHBondContact O-ND1 2.61Å; R360-D378 PolarHBondContact N-O 2.81Å; R360-K379 WeakPolarHBondContact CA-O 3.34Å; R360-K379 HydrophobicContact CG-CB 4.2Å
361A93.7Very high94.4Very high0 Ų020.2 Ų20.20%010%0.104CC..  trans-72.9135.617400000110.1I339 I358 H359 C380 R381 L383I339-A361 HydrophobicContact CB-CB 3.93Å; I339-A361 HydrophobicContact CG1-CB 4.47Å; I339-A361 CarbonylContact O-C 3.58Å; I339-A361 WeakPolarHBondContact O-CA 3.39Å; I358-A361 HydrophobicContact CG2-CB 3.46Å; I358-A361 VanDerWaalsContact CG2-CB 3.46Å; H359-A361 PolarHBondContact O-N 2.75Å; H359-A361 VanDerWaalsContact O-N 3.12Å; A361-C380 CarbonylContact O-C 3.59Å; A361-C380 WeakPolarHBondContact O-CA 3.39Å; A361-C380 WeakPolarHBondContact O-CB 3.34Å; A361-R381 PolarHBondContact O-N 3.24Å; A361-L383 HydrophobicContact CB-CD1 3.99Å; A361-L383 HydrophobicContact CB-CD2 4.31Å
362H93.6Very high94.5Very high66 Ų6620.3 Ų20.331%0.30610%0.104SC..EExtended strand (participates in β ladder)trans-147.7153-177.361.6-84.8000115.3I339 S340 R341 R360 S364 R381I339-H362 PolarHBondContact O-N 2.99Å; S340-H362 WeakPolarHBondContact CA-O 3.48Å; S340-H362 WeakPolarHBondContact CB-NE2 3.19Å; S340-H362 PolarHBondContact OG-CD2 3.29Å; S340-H362 VanDerWaalsContact OG-CD2 3.29Å; S340-H362 PolarHBondContact OG-CE1 3.16Å; S340-H362 PolarHBondContact OG-NE2 3.04Å; R341-H362 PolarHBondContact N-O 3.25Å; R360-H362 PolarHBondContact O-ND1 2.61Å; H362-S364 VanDerWaalsContact C-N 3.27Å; H362-S364 PolarHBondContact O-N 3.22Å; H362-S364 PolarHBondContact O-OG 2.89Å; H362-R381 CarbonylContact C-O 3.53Å; H362-R381 WeakPolarHBondContact CA-O 3.48Å; H362-R381 HydrophobicContact CB-CB 4.03Å; H362-R381 VanDerWaalsContact CB-O 3.28Å; H362-R381 WeakPolarHBondContact CB-O 3.38Å
363C91.3Very high94.6Very high29 Ų2918.1 Ų18.120%0.1969%0.092CC..EExtended strand (participates in β ladder)trans49.144.9174.6-600000113.2R341 R381 K382 R672R341-C363 VanDerWaalsContact CA-O 3.3Å; R341-C363 WeakPolarHBondContact CA-O 3.32Å; R341-C363 PolarHBondContact N-O 2.91Å; C363-R381 PolarHBondContact N-O 2.72Å; C363-K382 WeakPolarHBondContact CA-O 3.38Å; C363-K382 PolarHBondContact N-O 3.2Å; C363-K382 VanDerWaalsContact N-O 3.08Å; C363-R672 PolarHBondContact O-NH2 3.16Å; C363-R672 VanDerWaalsContact O-NH2 3.09Å
364S91.1Very high94.8Very high1 Ų116.3 Ų16.31%0.0077%0.074CC..EExtended strand (participates in β ladder)trans-142.3154.7-167.1-62.80000111.8R341 Q342 H362 K382 L383 T384R341-S364 PolarHBondContact N-OG 2.64Å; Q342-S364 PolarHBondContact N-OG 3.42Å; Q342-S364 CarbonylContact O-C 3.48Å; Q342-S364 VanDerWaalsContact O-CA 3.28Å; Q342-S364 WeakPolarHBondContact O-CA 3.29Å; Q342-S364 VanDerWaalsContact O-CB 3.22Å; Q342-S364 WeakPolarHBondContact O-CB 3.37Å; H362-S364 VanDerWaalsContact C-N 3.27Å; H362-S364 PolarHBondContact O-N 3.22Å; H362-S364 PolarHBondContact O-OG 2.89Å; S364-K382 PolarHBondContact N-O 3.19Å; S364-L383 WeakPolarHBondContact O-CA 3.38Å; S364-L383 WeakPolarHBondContact O-CD2 3.35Å; S364-T384 PolarHBondContact O-N 2.83Å
365Y91.3Very high94.9Very high23 Ų2316.3 Ų16.39%0.097%0.074CC..EExtended strand (participates in β ladder)trans-114.7124.9179.4-51.6-103.7000110.3Q342 I343 I344 T384 G669 Q673 L676Q342-Y365 PolarHBondContact O-N 2.86Å; I343-Y365 VanDerWaalsContact CA-O 3.31Å; I343-Y365 WeakPolarHBondContact CA-O 3.47Å; I343-Y365 HydrophobicContact CD1-CD2 4.12Å; I343-Y365 HydrophobicContact CD1-CG 4.43Å; I343-Y365 HydrophobicContact CG1-CD2 3.93Å; I343-Y365 HydrophobicContact CG1-CG 4.34Å; I344-Y365 PolarHBondContact N-O 3.46Å; Y365-T384 CarbonylContact C-O 3.49Å; Y365-T384 VanDerWaalsContact CA-O 3.31Å; Y365-T384 WeakPolarHBondContact CA-O 3.24Å; Y365-T384 HydrophobicContact CD1-CG2 4.15Å; Y365-G669 PolarHBondContact OH-O 2.73Å; Y365-Q673 HydrophobicContact CD1-CB 4.38Å; Y365-Q673 HydrophobicContact CD1-CG 3.88Å; Y365-Q673 HydrophobicContact CD2-CG 4.47Å; Y365-Q673 HydrophobicContact CE1-CB 3.79Å; Y365-Q673 HydrophobicContact CE1-CG 3.78Å; Y365-Q673 HydrophobicContact CE2-CB 4.08Å; Y365-Q673 HydrophobicContact CE2-CG 4.37Å; Y365-Q673 HydrophobicContact CG-CG 4.27Å; Y365-L676 HydrophobicContact CD2-CD1 4.28Å; Y365-L676 HydrophobicContact CE2-CD1 4.19Å
366L93.1Very high94.9Very high0 Ų016.6 Ų16.60%08%0.076CC..EExtended strand (participates in β ladder)trans-128.6113.8-168.8-58.3177.1000110.2I339 I344 I358 L383 T384 I385 V386I339-L366 HydrophobicContact CG2-CD2 4.34Å; I344-L366 HydrophobicContact CB-CD2 3.77Å; I344-L366 HydrophobicContact CD1-CD2 3.92Å; I344-L366 HydrophobicContact CG1-CD2 3.93Å; I358-L366 HydrophobicContact CD1-CD1 4.02Å; L366-L383 HydrophobicContact CD1-CD1 4.32Å; L366-T384 PolarHBondContact N-O 2.81Å; L366-I385 HydrophobicContact CB-CB 4.16Å; L366-I385 HydrophobicContact CB-CD1 3.99Å; L366-I385 HydrophobicContact CB-CG1 3.81Å; L366-I385 HydrophobicContact CD1-CD1 4.02Å; L366-I385 CarbonylContact O-C 3.45Å; L366-I385 VanDerWaalsContact O-CA 3.26Å; L366-I385 WeakPolarHBondContact O-CA 3.46Å; L366-V386 PolarHBondContact O-N 2.79Å
367Y93.8Very high95Very high1 Ų116.6 Ų16.60%0.0048%0.076CC..EExtended strand (participates in β ladder)trans-117.589.3-177.6-51.5-75.2000108.7I343 I344 A345 R346 V386 F541 I543 P544 Q673I343-Y367 HydrophobicContact CG2-CD2 4.31Å; I343-Y367 HydrophobicContact CG2-CE2 4.16Å; I344-Y367 PolarHBondContact O-N 3.5Å; A345-Y367 CarbonylContact C-O 3.57Å; A345-Y367 WeakPolarHBondContact CA-O 3.33Å; A345-Y367 HydrophobicContact CB-CD2 4.16Å; R346-Y367 PolarHBondContact N-O 3.14Å; Y367-V386 HydrophobicContact CD1-CB 3.9Å; Y367-V386 HydrophobicContact CD1-CG2 3.61Å; Y367-V386 HydrophobicContact CE1-CG2 3.8Å; Y367-F541 AromaticContact CE1-CE1 3.77Å; Y367-F541 HydrophobicContact CE1-CE1 3.77Å; Y367-F541 AromaticContact CE1-CZ 3.81Å; Y367-F541 HydrophobicContact CE1-CZ 3.81Å; Y367-I543 HydrophobicContact CD1-CG2 4.04Å; Y367-I543 HydrophobicContact CG-CG2 4.29Å; Y367-P544 HydrophobicContact CE1-CG 4.45Å; Y367-P544 HydrophobicContact CE2-CG 4.15Å; Y367-Q673 PolarHBondContact OH-NE2 3.05Å
368L95Very high94.9Very high0 Ų016.3 Ų16.30%08%0.075CC..EExtended strand (participates in β ladder)trans-110.375.8-168.8-57.8179.6000109.5M336 I344 R346 L351 L356 I358 S370 V386 L387 G388M336-L368 HydrophobicContact CE-CD1 3.74Å; M336-L368 HydrophobicContact CE-CD2 4.07Å; M336-L368 HydrophobicContact SD-CD1 4.15Å; I344-L368 HydrophobicContact CG2-CD2 4.04Å; R346-L368 HydrophobicContact CB-CD2 4.49Å; R346-L368 CarbonylContact O-C 3.44Å; R346-L368 WeakPolarHBondContact O-CA 3.48Å; L351-L368 HydrophobicContact CD1-CB 4.2Å; L351-L368 HydrophobicContact CD1-CD2 4.26Å; L356-L368 HydrophobicContact CD2-CD1 3.57Å; I358-L368 HydrophobicContact CD1-CD1 4.25Å; L368-S370 PolarHBondContact O-N 3.36Å; L368-V386 PolarHBondContact N-O 2.79Å; L368-L387 HydrophobicContact CB-CD2 4.28Å; L368-L387 HydrophobicContact CD1-CD2 4.48Å; L368-G388 PolarHBondContact O-N 2.85Å
369L95Very high94.8Very high7 Ų720.4 Ų20.44%0.0379%0.093CC..  trans-85.732.9-158.9-50.7-175.8000113.9R346 V386 Y486 H492 I543 L547R346-L369 PolarHBondContact O-N 2.93Å; L369-V386 HydrophobicContact CD2-CB 4.34Å; L369-V386 HydrophobicContact CD2-CG1 3.96Å; L369-Y486 VanDerWaalsContact C-OH 3.23Å; L369-Y486 HydrophobicContact CB-CD2 4.14Å; L369-Y486 HydrophobicContact CB-CE1 4.25Å; L369-Y486 HydrophobicContact CB-CE2 3.78Å; L369-Y486 HydrophobicContact CB-CG 4.49Å; L369-Y486 HydrophobicContact CD1-CD2 4.36Å; L369-Y486 HydrophobicContact CD1-CG 4.2Å; L369-Y486 HydrophobicContact CD2-CD1 4.36Å; L369-Y486 HydrophobicContact CD2-CE1 4.32Å; L369-Y486 WeakPolarHBondContact O-CE2 3.32Å; L369-Y486 VanDerWaalsContact O-CZ 3.29Å; L369-Y486 PolarHBondContact O-OH 3.03Å; L369-H492 PolarHBondContact O-CE1 3.11Å; L369-H492 PolarHBondContact O-ND1 2.96Å; L369-I543 HydrophobicContact CD1-CD1 4.32Å; L369-I543 HydrophobicContact CD1-CG2 4.09Å; L369-I543 HydrophobicContact CD2-CD1 4Å; L369-L547 HydrophobicContact CD1-CD1 4.07Å
370S95.3Very high94.9Very high2 Ų217.8 Ų17.81%0.0148%0.081CC..SBendtrans-111.5151.9-176.3-45.80000110.5S348 L368 M372 G388S348-S370 PolarHBondContact N-OG 3.07Å; S348-S370 PolarHBondContact O-OG 3.13Å; L368-S370 PolarHBondContact O-N 3.36Å; S370-M372 WeakPolarHBondContact O-CE 3.42Å; S370-M372 PolarHBondContact O-N 2.86Å; S370-G388 CarbonylContact O-C 3.55Å; S370-G388 WeakPolarHBondContact O-CA 3.3Å
371P97.1Very high95Very high6 Ų619 Ų194%0.0399%0.086CC..  trans-71.7126.7174.426.3-25.7000109.6D352 G353 P389 H492 K495 V496D352-P371 CarbonylContact C-O 3.54Å; D352-P371 VanDerWaalsContact CA-O 3.29Å; D352-P371 WeakPolarHBondContact CA-O 3.41Å; D352-P371 WeakPolarHBondContact OD1-CG 3.39Å; G353-P371 PolarHBondContact N-O 3.03Å; P371-P389 CarbonylContact C-O 3.5Å; P371-P389 VanDerWaalsContact CA-O 3.27Å; P371-P389 WeakPolarHBondContact CA-O 3.2Å; P371-H492 HydrophobicContact CB-CB 4.12Å; P371-H492 HydrophobicContact CG-CB 4.24Å; P371-K495 HydrophobicContact CG-CD 4.11Å; P371-V496 HydrophobicContact CB-CG1 3.65Å
372M97Very high95.1Very high1 Ų125 Ų251%0.00511%0.111CC..BIsolated β-bridgetrans-119.6156.3-173-72.7169.2-72.200110.8L351 L356 S370 V375 L387 P389 I390 E391L351-M372 HydrophobicContact CB-CG 4.35Å; L351-M372 HydrophobicContact CD2-SD 4.32Å; L356-M372 HydrophobicContact CB-SD 4.08Å; L356-M372 HydrophobicContact CD2-SD 3.56Å; L356-M372 VanDerWaalsContact CD2-SD 3.56Å; L356-M372 HydrophobicContact CG-SD 4.48Å; S370-M372 WeakPolarHBondContact O-CE 3.42Å; S370-M372 PolarHBondContact O-N 2.86Å; M372-V375 HydrophobicContact CB-CG2 4.16Å; M372-V375 HydrophobicContact CE-CG2 4.06Å; M372-V375 HydrophobicContact SD-CG2 3.9Å; M372-L387 HydrophobicContact CE-CB 3.92Å; M372-L387 HydrophobicContact CE-CD2 3.93Å; M372-L387 HydrophobicContact CE-CG 4.49Å; M372-P389 PolarHBondContact N-O 3.01Å; M372-I390 CarbonylContact O-C 3.58Å; M372-I390 WeakPolarHBondContact O-CA 3.22Å; M372-E391 PolarHBondContact O-N 3.3Å
373R95.3Very high95.2Very high5 Ų521.9 Ų21.92%0.01910%0.097CC..SBendtrans-73.8-61176.6175.960175.1-167.30.9110.7E16 Y88 S329 G353 A354 E391 N392E16-R373 IonicContact OE1-CZ 3.89Å; E16-R373 IonicContact OE1-NE 3.93Å; E16-R373 PolarHBondContact OE1-NE 3.47Å; E16-R373 IonicContact OE1-NH2 3.74Å; E16-R373 PolarHBondContact OE1-NH2 3.35Å; E16-R373 IonicContact OE2-CZ 2.7Å; E16-R373 IonicContact OE2-NE 3.81Å; E16-R373 IonicContact OE2-NH2 2.83Å; E16-R373 PolarHBondContact OE2-NH2 2.76Å; Y88-R373 PolarHBondContact OH-NH1 3.44Å; Y88-R373 PolarHBondContact OH-NH2 2.87Å; Y88-R373 VanDerWaalsContact OH-NH2 3.15Å; S329-R373 PolarHBondContact OG-NH1 2.78Å; S329-R373 VanDerWaalsContact OG-NH1 3.09Å; S329-R373 PolarHBondContact OG-NH2 3.06Å; G353-R373 WeakPolarHBondContact O-CB 3.29Å; A354-R373 PolarHBondContact O-N 3.24Å; R373-E391 WeakPolarHBondContact CD-OE2 3.26Å; R373-E391 IonicContact CZ-OE2 3.15Å; R373-E391 IonicContact NE-OE2 3.27Å; R373-E391 IonicContact NH1-OE2 2.7Å; R373-E391 PolarHBondContact NH1-OE2 2.85Å; R373-N392 WeakPolarHBondContact O-CA 3.37Å; R373-N392 WeakPolarHBondContact O-CB 3.39Å; R373-N392 PolarHBondContact O-N 3.35Å
374S97Very high95.4Very high0 Ų021.7 Ų21.70%010%0.095CC..EExtended strand (participates in β ladder)trans-145154.3177.5-72.60000109.6T355 L356 N392 T393T355-S374 CarbonylContact C-O 3.21Å; T355-S374 WeakPolarHBondContact CA-O 3.29Å; L356-S374 PolarHBondContact N-O 2.67Å; S374-N392 WeakPolarHBondContact OG-CB 3.24Å; S374-T393 CarbonylContact C-O 3.59Å; S374-T393 VanDerWaalsContact CA-O 3.29Å; S374-T393 WeakPolarHBondContact CA-O 3.33Å; S374-T393 WeakPolarHBondContact CB-O 3.49Å; S374-T393 PolarHBondContact OG-N 3.41Å
375V98Very high95.7Very high0 Ų021.7 Ų21.70%010%0.095CC..EExtended strand (participates in β ladder)trans-132125.8178.4-173.50000110.3L356 M372 L377 L387 I390 T393 L394 Q395L356-V375 HydrophobicContact CB-CG1 4.29Å; L356-V375 HydrophobicContact CB-CG2 4.24Å; L356-V375 HydrophobicContact CD2-CG1 4.01Å; L356-V375 HydrophobicContact CD2-CG2 4.45Å; L356-V375 HydrophobicContact CG-CG1 4.17Å; L356-V375 CarbonylContact O-C 3.59Å; L356-V375 VanDerWaalsContact O-CA 3.29Å; L356-V375 WeakPolarHBondContact O-CA 3.38Å; M372-V375 HydrophobicContact CB-CG2 4.16Å; M372-V375 HydrophobicContact CE-CG2 4.06Å; M372-V375 HydrophobicContact SD-CG2 3.9Å; V375-L377 HydrophobicContact CG1-CD2 4.2Å; V375-L387 HydrophobicContact CB-CD1 4.27Å; V375-L387 HydrophobicContact CG1-CD1 3.91Å; V375-L387 HydrophobicContact CG1-CD2 4.35Å; V375-L387 HydrophobicContact CG2-CD1 4.3Å; V375-I390 HydrophobicContact CB-CD1 4.03Å; V375-I390 HydrophobicContact CG2-CD1 3.63Å; V375-I390 HydrophobicContact CG2-CG1 3.82Å; V375-I390 HydrophobicContact CG2-CG2 4.2Å; V375-T393 PolarHBondContact N-O 3.38Å; V375-L394 HydrophobicContact CB-CD1 4.05Å; V375-L394 HydrophobicContact CG1-CD1 4.29Å; V375-L394 CarbonylContact O-C 3.56Å; V375-L394 WeakPolarHBondContact O-CA 3.19Å; V375-Q395 PolarHBondContact O-N 2.86Å
376T97.5Very high96Very high10 Ų1020.6 Ų20.66%0.0619%0.091CC..EExtended strand (participates in β ladder)trans-111.8128.7171.3-57.50000110.3Y20 L356 I358 Q395 N397Y20-T376 VanDerWaalsContact CE1-OG1 3.23Å; Y20-T376 WeakPolarHBondContact CE1-OG1 3.18Å; Y20-T376 PolarHBondContact OH-OG1 2.88Å; L356-T376 PolarHBondContact O-N 2.92Å; I358-T376 PolarHBondContact N-O 2.92Å; T376-Q395 CarbonylContact C-O 3.52Å; T376-Q395 WeakPolarHBondContact CA-O 3.3Å; T376-Q395 HydrophobicContact CG2-CB 4.5Å; T376-Q395 PolarHBondContact OG1-OE1 2.87Å; T376-N397 WeakPolarHBondContact CG2-ND2 3.35Å
377L97.5Very high96.2Very high0 Ų020.6 Ų20.60%09%0.091CC..EExtended strand (participates in β ladder)trans-107.3120.5164.6-49.7-174.8000107.9I358 V375 I385 Q395 L396 N397 V404I358-L377 HydrophobicContact CB-CD2 3.8Å; I358-L377 HydrophobicContact CD1-CD2 3.76Å; I358-L377 HydrophobicContact CG1-CD2 3.92Å; I358-L377 WeakPolarHBondContact O-CA 3.18Å; V375-L377 HydrophobicContact CG1-CD2 4.2Å; L377-I385 HydrophobicContact CD1-CG2 4.17Å; L377-I385 HydrophobicContact CD2-CD1 4.03Å; L377-Q395 PolarHBondContact N-O 2.76Å; L377-L396 HydrophobicContact CB-CG 4.43Å; L377-L396 HydrophobicContact CD1-CG 4.23Å; L377-L396 CarbonylContact O-C 3.56Å; L377-L396 WeakPolarHBondContact O-CA 3.48Å; L377-N397 PolarHBondContact O-N 3.11Å; L377-V404 HydrophobicContact CD1-CG2 4.04Å
378D95.1Very high96.3Very high21 Ų2120.6 Ų20.611%0.1129%0.091CC..EExtended strand (participates in β ladder)trans-127.2130.7177.7177.156000111.8I358 H359 R360 C380 N397 H398I358-D378 PolarHBondContact O-N 2.87Å; H359-D378 WeakPolarHBondContact CA-O 3.24Å; H359-D378 IonicContact CD2-OD2 2.68Å; H359-D378 PolarHBondContact CD2-OD2 3.09Å; H359-D378 IonicContact NE2-OD2 2.71Å; R360-D378 PolarHBondContact N-O 2.81Å; D378-C380 PolarHBondContact O-N 3.33Å; D378-C380 VanDerWaalsContact O-N 3.16Å; D378-C380 PolarHBondContact O-SG 2.84Å; D378-N397 CarbonylContact C-O 3.56Å; D378-N397 VanDerWaalsContact CA-O 3.3Å; D378-N397 WeakPolarHBondContact CA-O 3.5Å; D378-N397 HydrophobicContact CB-CB 4.33Å; D378-H398 IonicContact OD1-ND1 2.96Å; D378-H398 PolarHBondContact OD1-ND1 2.76Å
379K95Very high96.5Very high88 Ų8820.6 Ų20.638%0.3839%0.091SC..SBendtrans54.932.6178-60.6166-168.671.10113.2R360 N397 H398R360-K379 WeakPolarHBondContact CA-O 3.34Å; R360-K379 HydrophobicContact CG-CB 4.2Å; K379-N397 PolarHBondContact N-O 2.92Å; K379-H398 WeakPolarHBondContact CA-O 3.27Å; K379-H398 HydrophobicContact CG-CB 3.91Å
380C96.5Very high96.6Very high0 Ų020.2 Ų20.20%09%0.089CC..  trans-89.9145.2-176.8-68.70000111.5A361 D378 L383 C399 E400A361-C380 CarbonylContact O-C 3.59Å; A361-C380 WeakPolarHBondContact O-CA 3.39Å; A361-C380 WeakPolarHBondContact O-CB 3.34Å; D378-C380 PolarHBondContact O-N 3.33Å; D378-C380 VanDerWaalsContact O-N 3.16Å; D378-C380 PolarHBondContact O-SG 2.84Å; C380-L383 HydrophobicContact CB-CD1 3.63Å; C380-L383 HydrophobicContact CB-CG 4.31Å; C380-C399 CarbonylContact O-C 3.51Å; C380-C399 VanDerWaalsContact O-CA 3.26Å; C380-C399 WeakPolarHBondContact O-CA 3.46Å; C380-E400 PolarHBondContact O-N 3.44Å
381R96.7Very high96.7Very high139 Ų13921.7 Ų21.753%0.52510%0.096SC..EExtended strand (participates in β ladder)trans-140131.5-171.6-70-174.6161.2152-6.7113.8A361 H362 C363 L383 E400A361-R381 PolarHBondContact O-N 3.24Å; H362-R381 CarbonylContact C-O 3.53Å; H362-R381 WeakPolarHBondContact CA-O 3.48Å; H362-R381 HydrophobicContact CB-CB 4.03Å; H362-R381 VanDerWaalsContact CB-O 3.28Å; H362-R381 WeakPolarHBondContact CB-O 3.38Å; C363-R381 PolarHBondContact N-O 2.72Å; R381-L383 PolarHBondContact O-N 2.87Å; R381-E400 CarbonylContact C-O 3.59Å; R381-E400 VanDerWaalsContact CA-O 3.24Å; R381-E400 WeakPolarHBondContact CA-O 3.32Å; R381-E400 HydrophobicContact CG-CB 4.26Å; R381-E400 IonicContact CZ-OE2 2.83Å; R381-E400 IonicContact NE-OE2 2.93Å; R381-E400 PolarHBondContact NE-OE2 3.24Å; R381-E400 IonicContact NH2-OE2 3.81Å; R381-E400 PolarHBondContact NH2-OE2 2.9Å
382K95.3Very high96.6Very high125 Ų12521.4 Ų21.454%0.5439%0.094SC..EExtended strand (participates in β ladder)trans54.751.1176.8-62.1-175.3178-166.80111.7C363 S364 E400 D401C363-K382 WeakPolarHBondContact CA-O 3.38Å; C363-K382 PolarHBondContact N-O 3.2Å; C363-K382 VanDerWaalsContact N-O 3.08Å; S364-K382 PolarHBondContact N-O 3.19Å; K382-E400 PolarHBondContact N-O 3.39Å; K382-D401 VanDerWaalsContact CA-O 3.23Å; K382-D401 WeakPolarHBondContact CA-O 3.31Å; K382-D401 HydrophobicContact CB-CB 4.36Å; K382-D401 WeakPolarHBondContact CE-OD2 3.49Å; K382-D401 HydrophobicContact CG-CB 3.51Å
383L95.8Very high96.6Very high2 Ų221.4 Ų21.41%0.019%0.094CC..EExtended strand (participates in β ladder)trans-105.4141.7176.9-65.5-170.7000111A361 S364 L366 C380 R381 C402 L403A361-L383 HydrophobicContact CB-CD1 3.99Å; A361-L383 HydrophobicContact CB-CD2 4.31Å; S364-L383 WeakPolarHBondContact O-CA 3.38Å; S364-L383 WeakPolarHBondContact O-CD2 3.35Å; L366-L383 HydrophobicContact CD1-CD1 4.32Å; C380-L383 HydrophobicContact CB-CD1 3.63Å; C380-L383 HydrophobicContact CB-CG 4.31Å; R381-L383 PolarHBondContact O-N 2.87Å; L383-C402 CarbonylContact O-C 3.45Å; L383-C402 WeakPolarHBondContact O-CA 3.26Å; L383-L403 PolarHBondContact O-N 3.02Å
384T95Very high96.7Very high25 Ų2521.1 Ų21.115%0.1539%0.093CC..EExtended strand (participates in β ladder)trans-109.3118.5157.7-66.50000107.3S364 Y365 L366 L403 F541S364-T384 PolarHBondContact O-N 2.83Å; Y365-T384 CarbonylContact C-O 3.49Å; Y365-T384 VanDerWaalsContact CA-O 3.31Å; Y365-T384 WeakPolarHBondContact CA-O 3.24Å; Y365-T384 HydrophobicContact CD1-CG2 4.15Å; L366-T384 PolarHBondContact N-O 2.81Å; T384-L403 WeakPolarHBondContact CA-O 3.49Å; T384-L403 HydrophobicContact CG2-CD2 4.04Å; T384-L403 HydrophobicContact CG2-CG 4.47Å; T384-F541 HydrophobicContact CG2-CE2 4.01Å; T384-F541 HydrophobicContact CG2-CZ 3.96Å
385I96.9Very high96.7Very high0 Ų021.3 Ų21.30%09%0.094CC..EExtended strand (participates in β ladder)trans-133.9126.1-175.4-176.2167000112.1I358 L366 L377 L387 L403 V404 I405I358-I385 HydrophobicContact CD1-CD1 3.66Å; L366-I385 HydrophobicContact CB-CB 4.16Å; L366-I385 HydrophobicContact CB-CD1 3.99Å; L366-I385 HydrophobicContact CB-CG1 3.81Å; L366-I385 HydrophobicContact CD1-CD1 4.02Å; L366-I385 CarbonylContact O-C 3.45Å; L366-I385 VanDerWaalsContact O-CA 3.26Å; L366-I385 WeakPolarHBondContact O-CA 3.46Å; L377-I385 HydrophobicContact CD1-CG2 4.17Å; L377-I385 HydrophobicContact CD2-CD1 4.03Å; I385-L387 HydrophobicContact CD1-CD2 3.68Å; I385-L387 HydrophobicContact CD1-CG 4.27Å; I385-L387 HydrophobicContact CG1-CD2 3.76Å; I385-L387 HydrophobicContact CG1-CG 4.02Å; I385-L403 PolarHBondContact N-O 3.05Å; I385-V404 HydrophobicContact CG2-CB 4.13Å; I385-V404 HydrophobicContact CG2-CG1 4.1Å; I385-V404 HydrophobicContact CG2-CG2 3.75Å; I385-V404 WeakPolarHBondContact O-CA 3.39Å; I385-I405 PolarHBondContact O-N 2.92Å
386V97.1Very high96.7Very high0 Ų021.3 Ų21.30%09%0.094CC..EExtended strand (participates in β ladder)trans-110.5124.1171.8-1720000108.3L366 Y367 L368 L369 I405 T484 F541 I543L366-V386 PolarHBondContact O-N 2.79Å; Y367-V386 HydrophobicContact CD1-CB 3.9Å; Y367-V386 HydrophobicContact CD1-CG2 3.61Å; Y367-V386 HydrophobicContact CE1-CG2 3.8Å; L368-V386 PolarHBondContact N-O 2.79Å; L369-V386 HydrophobicContact CD2-CB 4.34Å; L369-V386 HydrophobicContact CD2-CG1 3.96Å; V386-I405 WeakPolarHBondContact CA-O 3.47Å; V386-I405 HydrophobicContact CG1-CB 4.41Å; V386-I405 HydrophobicContact CG2-CB 4.24Å; V386-I405 HydrophobicContact CG2-CD1 4.18Å; V386-T484 HydrophobicContact CG1-CG2 4.13Å; V386-F541 HydrophobicContact CG2-CD1 4.02Å; V386-F541 HydrophobicContact CG2-CE1 3.61Å; V386-F541 HydrophobicContact CG2-CZ 4.22Å; V386-I543 HydrophobicContact CG1-CD1 4.02Å; V386-I543 HydrophobicContact CG1-CG1 4.32Å
387L97.9Very high96.5Very high1 Ų120.9 Ų20.91%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-112137.5-178.4-60.6172.6000109.6L356 L368 M372 V375 I385 I390 L394 I405 A406L356-L387 HydrophobicContact CD2-CD2 4.38Å; L368-L387 HydrophobicContact CB-CD2 4.28Å; L368-L387 HydrophobicContact CD1-CD2 4.48Å; M372-L387 HydrophobicContact CE-CB 3.92Å; M372-L387 HydrophobicContact CE-CD2 3.93Å; M372-L387 HydrophobicContact CE-CG 4.49Å; V375-L387 HydrophobicContact CB-CD1 4.27Å; V375-L387 HydrophobicContact CG1-CD1 3.91Å; V375-L387 HydrophobicContact CG1-CD2 4.35Å; V375-L387 HydrophobicContact CG2-CD1 4.3Å; I385-L387 HydrophobicContact CD1-CD2 3.68Å; I385-L387 HydrophobicContact CD1-CG 4.27Å; I385-L387 HydrophobicContact CG1-CD2 3.76Å; I385-L387 HydrophobicContact CG1-CG 4.02Å; L387-I390 HydrophobicContact CB-CD1 4.3Å; L387-I390 HydrophobicContact CD1-CD1 3.83Å; L387-L394 HydrophobicContact CD1-CD1 3.88Å; L387-I405 PolarHBondContact N-O 3.13Å; L387-A406 HydrophobicContact CB-CB 4.03Å; L387-A406 HydrophobicContact CD1-CB 4.18Å
388G96.9Very high96.3Very high0 Ų024.4 Ų24.40%011%0.107CC..EExtended strand (participates in β ladder)trans-64.4164.8162.500000111.7L368 S370 I390 Y486L368-G388 PolarHBondContact O-N 2.85Å; S370-G388 CarbonylContact O-C 3.55Å; S370-G388 WeakPolarHBondContact O-CA 3.3Å; G388-I390 WeakPolarHBondContact O-CG1 3.48Å; G388-I390 PolarHBondContact O-N 3.09Å; G388-Y486 VanDerWaalsContact CA-OH 3.3Å; G388-Y486 WeakPolarHBondContact CA-OH 3.38Å
389P98.1Very high96.3Very high0 Ų023.4 Ų23.40%010%0.102CC..EExtended strand (participates in β ladder)trans-48128.4-176.6-34.339.9000115.1P371 M372 Y486 L489 H492 L493 V496 L498P371-P389 CarbonylContact C-O 3.5Å; P371-P389 VanDerWaalsContact CA-O 3.27Å; P371-P389 WeakPolarHBondContact CA-O 3.2Å; M372-P389 PolarHBondContact N-O 3.01Å; P389-Y486 WeakPolarHBondContact CD-OH 2.91Å; P389-L489 HydrophobicContact CG-CD1 3.85Å; P389-H492 HydrophobicContact CB-CB 4.46Å; P389-H492 HydrophobicContact CG-CB 3.79Å; P389-L493 HydrophobicContact CB-CD2 4.12Å; P389-L493 HydrophobicContact CG-CB 4.49Å; P389-L493 HydrophobicContact CG-CD2 3.78Å; P389-L493 HydrophobicContact CG-CG 3.79Å; P389-V496 HydrophobicContact CB-CG2 3.47Å; P389-V496 VanDerWaalsContact CB-CG2 3.47Å; P389-L498 HydrophobicContact CB-CD1 4.17Å
390I98Very high96.4Very high0 Ų021.2 Ų21.20%09%0.093CC..EExtended strand (participates in β ladder)trans-105.9111.1-176.4-50.8168.5000109.1M372 V375 L387 G388 N392 L394 A406 A407 C408 R409M372-I390 CarbonylContact O-C 3.58Å; M372-I390 WeakPolarHBondContact O-CA 3.22Å; V375-I390 HydrophobicContact CB-CD1 4.03Å; V375-I390 HydrophobicContact CG2-CD1 3.63Å; V375-I390 HydrophobicContact CG2-CG1 3.82Å; V375-I390 HydrophobicContact CG2-CG2 4.2Å; L387-I390 HydrophobicContact CB-CD1 4.3Å; L387-I390 HydrophobicContact CD1-CD1 3.83Å; G388-I390 WeakPolarHBondContact O-CG1 3.48Å; G388-I390 PolarHBondContact O-N 3.09Å; I390-N392 PolarHBondContact O-N 2.92Å; I390-L394 HydrophobicContact CD1-CB 3.9Å; I390-L394 HydrophobicContact CD1-CD1 4.05Å; I390-L394 HydrophobicContact CD1-CD2 4.47Å; I390-L394 HydrophobicContact CD1-CG 4.35Å; I390-A406 HydrophobicContact CD1-CB 4.2Å; I390-A407 PolarHBondContact N-O 3.44Å; I390-C408 HydrophobicContact CB-CB 3.87Å; I390-C408 HydrophobicContact CD1-CB 4.27Å; I390-C408 HydrophobicContact CG1-CB 4.49Å; I390-C408 VanDerWaalsContact O-CA 3.29Å; I390-C408 WeakPolarHBondContact O-CA 3.49Å; I390-R409 PolarHBondContact O-N 3.15Å
391E96.4Very high96.4Very high33 Ų3323.9 Ų23.915%0.15411%0.107CC..EExtended strand (participates in β ladder)trans-58.5-50.4-175.7-175179.6-130.200112.7Y88 M372 R373 R409 V496Y88-E391 HydrophobicContact CD2-CG 4.14Å; Y88-E391 VanDerWaalsContact CD2-OE1 3.26Å; Y88-E391 WeakPolarHBondContact CD2-OE1 3.49Å; Y88-E391 HydrophobicContact CE2-CG 4.15Å; M372-E391 PolarHBondContact O-N 3.3Å; R373-E391 WeakPolarHBondContact CD-OE2 3.26Å; R373-E391 IonicContact CZ-OE2 3.15Å; R373-E391 IonicContact NE-OE2 3.27Å; R373-E391 IonicContact NH1-OE2 2.7Å; R373-E391 PolarHBondContact NH1-OE2 2.85Å; E391-R409 WeakPolarHBondContact O-CB 3.24Å; E391-R409 PolarHBondContact O-NH1 2.85Å; E391-V496 HydrophobicContact CB-CB 3.82Å; E391-V496 HydrophobicContact CB-CG1 3.92Å; E391-V496 HydrophobicContact CG-CB 4.23Å
392N95.3Very high96.5Very high0 Ų017.4 Ų17.40%08%0.083CC..EExtended strand (participates in β ladder)trans-101.7-88.6-174.7-179.50.6000111E16 M83 R373 S374 I390 R409 R410E16-N392 PolarHBondContact OE1-ND2 2.9Å; M83-N392 WeakPolarHBondContact CE-ND2 3.44Å; M83-N392 WeakPolarHBondContact CE-OD1 3.23Å; R373-N392 WeakPolarHBondContact O-CA 3.37Å; R373-N392 WeakPolarHBondContact O-CB 3.39Å; R373-N392 PolarHBondContact O-N 3.35Å; S374-N392 WeakPolarHBondContact OG-CB 3.24Å; I390-N392 PolarHBondContact O-N 2.92Å; N392-R409 WeakPolarHBondContact O-CB 3.43Å; N392-R410 PolarHBondContact O-N 3.3Å
393T96.9Very high96.6Very high0 Ų013.5 Ų13.50%07%0.068CC..EExtended strand (participates in β ladder)trans-134129.6-165-62.10000113.7Y20 S374 V375 R410 V412Y20-T393 HydrophobicContact CD1-CG2 3.81Å; Y20-T393 HydrophobicContact CG-CG2 4.49Å; S374-T393 CarbonylContact C-O 3.59Å; S374-T393 VanDerWaalsContact CA-O 3.29Å; S374-T393 WeakPolarHBondContact CA-O 3.33Å; S374-T393 WeakPolarHBondContact CB-O 3.49Å; S374-T393 PolarHBondContact OG-N 3.41Å; V375-T393 PolarHBondContact N-O 3.38Å; T393-R410 WeakPolarHBondContact CA-O 3.27Å; T393-R410 HydrophobicContact CG2-CB 4.35Å; T393-R410 PolarHBondContact OG1-NH1 2.88Å; T393-V412 HydrophobicContact CG2-CG2 4.24Å
394L98.2Very high96.7Very high0 Ų013.4 Ų13.40%07%0.067CC..EExtended strand (participates in β ladder)trans-88.4130.9160.1177.159.6000109.4V375 L387 I390 L396 V404 A406 C408 R410 A411 V412 L423V375-L394 HydrophobicContact CB-CD1 4.05Å; V375-L394 HydrophobicContact CG1-CD1 4.29Å; V375-L394 CarbonylContact O-C 3.56Å; V375-L394 WeakPolarHBondContact O-CA 3.19Å; L387-L394 HydrophobicContact CD1-CD1 3.88Å; I390-L394 HydrophobicContact CD1-CB 3.9Å; I390-L394 HydrophobicContact CD1-CD1 4.05Å; I390-L394 HydrophobicContact CD1-CD2 4.47Å; I390-L394 HydrophobicContact CD1-CG 4.35Å; L394-L396 HydrophobicContact CD1-CD1 3.91Å; L394-L396 HydrophobicContact CD2-CD1 4.16Å; L394-L396 HydrophobicContact CG-CD1 3.73Å; L394-V404 HydrophobicContact CD2-CG1 4.19Å; L394-A406 HydrophobicContact CD2-CB 3.97Å; L394-C408 HydrophobicContact CB-CB 4.3Å; L394-R410 PolarHBondContact N-O 2.99Å; L394-A411 HydrophobicContact CB-CB 4.41Å; L394-A411 CarbonylContact O-C 3.55Å; L394-A411 VanDerWaalsContact O-CA 3.25Å; L394-A411 WeakPolarHBondContact O-CA 3.45Å; L394-V412 PolarHBondContact O-N 2.82Å; L394-L423 HydrophobicContact CD2-CD2 4.16Å
395Q96.9Very high96.9Very high4 Ų412.2 Ų12.22%0.0196%0.06CC..EExtended strand (participates in β ladder)trans-132.7125-178.5-171.9-175.561.100110.2A19 Y20 V375 T376 L377 N397 V412A19-Q395 PolarHBondContact O-NE2 3.11Å; Y20-Q395 HydrophobicContact CD1-CB 4.41Å; Y20-Q395 HydrophobicContact CE1-CB 4.25Å; V375-Q395 PolarHBondContact O-N 2.86Å; T376-Q395 CarbonylContact C-O 3.52Å; T376-Q395 WeakPolarHBondContact CA-O 3.3Å; T376-Q395 HydrophobicContact CG2-CB 4.5Å; T376-Q395 PolarHBondContact OG1-OE1 2.87Å; L377-Q395 PolarHBondContact N-O 2.76Å; Q395-N397 PolarHBondContact OE1-ND2 2.91Å; Q395-V412 CarbonylContact C-O 3.58Å; Q395-V412 VanDerWaalsContact CA-O 3.32Å; Q395-V412 WeakPolarHBondContact CA-O 3.29Å
396L96.7Very high97Very high0 Ų012.2 Ų12.20%06%0.06CC..EExtended strand (participates in β ladder)trans-114.6126.2174.4-71.966.6000109L377 L394 V404 V412 L413 A414 C416 L421L377-L396 HydrophobicContact CB-CG 4.43Å; L377-L396 HydrophobicContact CD1-CG 4.23Å; L377-L396 CarbonylContact O-C 3.56Å; L377-L396 WeakPolarHBondContact O-CA 3.48Å; L394-L396 HydrophobicContact CD1-CD1 3.91Å; L394-L396 HydrophobicContact CD2-CD1 4.16Å; L394-L396 HydrophobicContact CG-CD1 3.73Å; L396-V404 HydrophobicContact CD2-CG2 4.19Å; L396-V412 PolarHBondContact N-O 3.38Å; L396-L413 HydrophobicContact CB-CG 4.22Å; L396-L413 HydrophobicContact CD2-CD2 4.36Å; L396-L413 HydrophobicContact CD2-CG 4.34Å; L396-L413 CarbonylContact O-C 3.52Å; L396-L413 WeakPolarHBondContact O-CA 3.26Å; L396-A414 PolarHBondContact O-N 2.89Å; L396-C416 PolarHBondContact O-SG 2.87Å; L396-L421 HydrophobicContact CD1-CD2 4.36Å; L396-L421 HydrophobicContact CD2-CD1 4.2Å; L396-L421 HydrophobicContact CD2-CD2 4.08Å; L396-L421 HydrophobicContact CD2-CG 4.38Å
397N93.6Very high97Very high0 Ų012.2 Ų12.20%06%0.06CC..EExtended strand (participates in β ladder)trans-127.3127.1178.5-49.2-53.5000109Q24 T376 L377 D378 K379 Q395 C399 A414Q24-N397 PolarHBondContact NE2-OD1 3.14Å; Q24-N397 PolarHBondContact OE1-OD1 3.45Å; T376-N397 WeakPolarHBondContact CG2-ND2 3.35Å; L377-N397 PolarHBondContact O-N 3.11Å; D378-N397 CarbonylContact C-O 3.56Å; D378-N397 VanDerWaalsContact CA-O 3.3Å; D378-N397 WeakPolarHBondContact CA-O 3.5Å; D378-N397 HydrophobicContact CB-CB 4.33Å; K379-N397 PolarHBondContact N-O 2.92Å; Q395-N397 PolarHBondContact OE1-ND2 2.91Å; N397-C399 PolarHBondContact O-N 2.68Å; N397-C399 VanDerWaalsContact O-N 3.11Å; N397-C399 PolarHBondContact O-SG 2.86Å; N397-C399 VanDerWaalsContact O-SG 3.38Å; N397-A414 WeakPolarHBondContact CA-O 3.26Å
398H93.6Very high97Very high75 Ų7512.2 Ų12.235%0.3476%0.06SC..SBendtrans53.832.8175-46.792.2000114.5D378 K379 A414 S415D378-H398 IonicContact OD1-ND1 2.96Å; D378-H398 PolarHBondContact OD1-ND1 2.76Å; K379-H398 WeakPolarHBondContact CA-O 3.27Å; K379-H398 HydrophobicContact CG-CB 3.91Å; H398-A414 PolarHBondContact N-O 2.85Å; H398-S415 WeakPolarHBondContact CA-O 3.46Å
399C96.3Very high97Very high0 Ų012.2 Ų12.20%06%0.06CC..  trans-89.3141.2-178.4-65.20000111.5C380 N397 C416 R417 C419C380-C399 CarbonylContact O-C 3.51Å; C380-C399 VanDerWaalsContact O-CA 3.26Å; C380-C399 WeakPolarHBondContact O-CA 3.46Å; N397-C399 PolarHBondContact O-N 2.68Å; N397-C399 VanDerWaalsContact O-N 3.11Å; N397-C399 PolarHBondContact O-SG 2.86Å; N397-C399 VanDerWaalsContact O-SG 3.38Å; C399-C416 HydrophobicContact CB-CB 4.39Å; C399-C416 PolarHBondContact N-SG 3.2Å; C399-C416 VanDerWaalsContact N-SG 3.42Å; C399-C416 CarbonylContact O-C 3.49Å; C399-C416 WeakPolarHBondContact O-CA 3.47Å; C399-R417 PolarHBondContact O-N 3.14Å; C399-C419 PolarHBondContact O-SG 3.07Å; C399-C419 VanDerWaalsContact O-SG 3.41Å
400E97.1Very high97Very high41 Ų4112.3 Ų12.319%0.1926%0.061CC..BIsolated β-bridgetrans-132144.3178.5-53-174.885.500112.5C380 R381 K382 C402 R417C380-E400 PolarHBondContact O-N 3.44Å; R381-E400 CarbonylContact C-O 3.59Å; R381-E400 VanDerWaalsContact CA-O 3.24Å; R381-E400 WeakPolarHBondContact CA-O 3.32Å; R381-E400 HydrophobicContact CG-CB 4.26Å; R381-E400 IonicContact CZ-OE2 2.83Å; R381-E400 IonicContact NE-OE2 2.93Å; R381-E400 PolarHBondContact NE-OE2 3.24Å; R381-E400 IonicContact NH2-OE2 3.81Å; R381-E400 PolarHBondContact NH2-OE2 2.9Å; K382-E400 PolarHBondContact N-O 3.39Å; E400-C402 PolarHBondContact O-N 3.48Å; E400-C402 PolarHBondContact O-SG 3.49Å; E400-R417 VanDerWaalsContact CA-O 3.22Å; E400-R417 WeakPolarHBondContact CA-O 3.49Å; E400-R417 HydrophobicContact CG-CB 4.28Å; E400-R417 IonicContact OE1-NE 2.83Å
401D96.8Very high97Very high57 Ų5712.3 Ų12.331%0.3056%0.061SC..SBendtrans53.635.2177.8-55.7-50.5000113.6K382 R417 R418K382-D401 VanDerWaalsContact CA-O 3.23Å; K382-D401 WeakPolarHBondContact CA-O 3.31Å; K382-D401 HydrophobicContact CB-CB 4.36Å; K382-D401 WeakPolarHBondContact CE-OD2 3.49Å; K382-D401 HydrophobicContact CG-CB 3.51Å; D401-R417 PolarHBondContact N-O 2.71Å; D401-R417 VanDerWaalsContact N-O 3.11Å; D401-R418 CarbonylContact C-O 3.59Å; D401-R418 WeakPolarHBondContact CA-O 3.31Å; D401-R418 VanDerWaalsContact CG-NH2 3.29Å; D401-R418 PolarHBondContact N-O 3.17Å; D401-R418 IonicContact OD1-CZ 3.32Å; D401-R418 IonicContact OD1-NE 2.86Å; D401-R418 PolarHBondContact OD1-NE 3.27Å; D401-R418 IonicContact OD1-NH2 3.87Å; D401-R418 PolarHBondContact OD1-NH2 3.3Å; D401-R418 IonicContact OD2-NH2 2.7Å; D401-R418 PolarHBondContact OD2-NH2 3.03Å
402C97.8Very high97Very high2 Ų211 Ų111%0.0146%0.055CC..  trans-103.9125.7-173.3-68.80000112.8L383 E400 V404 R418 C419 T420L383-C402 CarbonylContact O-C 3.45Å; L383-C402 WeakPolarHBondContact O-CA 3.26Å; E400-C402 PolarHBondContact O-N 3.48Å; E400-C402 PolarHBondContact O-SG 3.49Å; C402-V404 HydrophobicContact CB-CG2 4.31Å; C402-R418 PolarHBondContact N-O 3Å; C402-C419 CarbonylContact O-C 3.57Å; C402-C419 VanDerWaalsContact O-CA 3.24Å; C402-C419 WeakPolarHBondContact O-CA 3.24Å; C402-T420 PolarHBondContact O-N 3.2Å
403L97.5Very high97Very high43 Ų4311 Ų1123%0.2256%0.055CC..EExtended strand (participates in β ladder)trans-93.2117166.1175.260.7000109.1L383 T384 I385 I405 T420 F541L383-L403 PolarHBondContact O-N 3.02Å; T384-L403 WeakPolarHBondContact CA-O 3.49Å; T384-L403 HydrophobicContact CG2-CD2 4.04Å; T384-L403 HydrophobicContact CG2-CG 4.47Å; I385-L403 PolarHBondContact N-O 3.05Å; L403-I405 HydrophobicContact CD1-CG1 4.48Å; L403-T420 WeakPolarHBondContact CA-O 3.39Å; L403-T420 HydrophobicContact CD1-CG2 3.96Å; L403-F541 HydrophobicContact CD2-CE2 4.48Å
404V98.4Very high96.8Very high0 Ų011.2 Ų11.20%06%0.057CC..EExtended strand (participates in β ladder)trans-122.9124.8-177-1760000109.9L377 I385 L394 L396 C402 T420 L421 H422L377-V404 HydrophobicContact CD1-CG2 4.04Å; I385-V404 HydrophobicContact CG2-CB 4.13Å; I385-V404 HydrophobicContact CG2-CG1 4.1Å; I385-V404 HydrophobicContact CG2-CG2 3.75Å; I385-V404 WeakPolarHBondContact O-CA 3.39Å; L394-V404 HydrophobicContact CD2-CG1 4.19Å; L396-V404 HydrophobicContact CD2-CG2 4.19Å; C402-V404 HydrophobicContact CB-CG2 4.31Å; V404-T420 PolarHBondContact N-O 3.04Å; V404-L421 HydrophobicContact CB-CG 4.28Å; V404-L421 CarbonylContact O-C 3.56Å; V404-L421 WeakPolarHBondContact O-CA 3.5Å; V404-H422 PolarHBondContact O-N 2.84Å
405I98.3Very high96.4Very high0 Ų013 Ų130%07%0.069CC..EExtended strand (participates in β ladder)trans-121.1113179.6-51.2179.2000108I385 V386 L387 L403 H422 F482 T484 F541I385-I405 PolarHBondContact O-N 2.92Å; V386-I405 WeakPolarHBondContact CA-O 3.47Å; V386-I405 HydrophobicContact CG1-CB 4.41Å; V386-I405 HydrophobicContact CG2-CB 4.24Å; V386-I405 HydrophobicContact CG2-CD1 4.18Å; L387-I405 PolarHBondContact N-O 3.13Å; L403-I405 HydrophobicContact CD1-CG1 4.48Å; I405-H422 WeakPolarHBondContact CA-O 3.42Å; I405-H422 HydrophobicContact CB-CB 4.39Å; I405-H422 HydrophobicContact CG1-CB 4.11Å; I405-H422 HydrophobicContact CG2-CB 4.17Å; I405-F482 HydrophobicContact CG2-CD2 3.84Å; I405-F482 HydrophobicContact CG2-CE2 3.82Å; I405-T484 HydrophobicContact CG2-CG2 3.67Å; I405-F541 HydrophobicContact CD1-CB 3.68Å; I405-F541 HydrophobicContact CD1-CD1 3.87Å; I405-F541 HydrophobicContact CD1-CD2 3.55Å; I405-F541 HydrophobicContact CD1-CE1 4.44Å; I405-F541 HydrophobicContact CD1-CE2 4.15Å; I405-F541 HydrophobicContact CD1-CG 3.4Å
406A98.3Very high96.3Very high0 Ų012.8 Ų12.80%07%0.068CC..EExtended strand (participates in β ladder)trans-154.9145.6-171.700000113.9L387 I390 L394 H422 L423 A424L387-A406 HydrophobicContact CB-CB 4.03Å; L387-A406 HydrophobicContact CD1-CB 4.18Å; I390-A406 HydrophobicContact CD1-CB 4.2Å; L394-A406 HydrophobicContact CD2-CB 3.97Å; A406-H422 PolarHBondContact N-O 2.91Å; A406-L423 HydrophobicContact CB-CD2 4.47Å; A406-L423 WeakPolarHBondContact O-CA 3.35Å; A406-A424 PolarHBondContact O-N 2.72Å; A406-A424 VanDerWaalsContact O-N 3.13Å
407A98.3Very high96.2Very high1 Ų116.6 Ų16.61%0.0088%0.082CC..EExtended strand (participates in β ladder)trans-99.1133.5161.600000109.3I390 A424 L493 L498 I616I390-A407 PolarHBondContact N-O 3.44Å; A407-A424 CarbonylContact C-O 3.48Å; A407-A424 VanDerWaalsContact CA-O 3.32Å; A407-A424 WeakPolarHBondContact CA-O 3.4Å; A407-A424 HydrophobicContact CB-CB 3.99Å; A407-L493 HydrophobicContact CB-CD2 3.84Å; A407-L498 HydrophobicContact CB-CD1 4.28Å; A407-I616 HydrophobicContact CB-CD1 4.48Å
408C98.1Very high96.3Very high0 Ų020.1 Ų20.10%010%0.096CC..EExtended strand (participates in β ladder)trans-153.2162-177.160.30000113.5I390 L394 A424 I425 Q426I390-C408 HydrophobicContact CB-CB 3.87Å; I390-C408 HydrophobicContact CD1-CB 4.27Å; I390-C408 HydrophobicContact CG1-CB 4.49Å; I390-C408 VanDerWaalsContact O-CA 3.29Å; I390-C408 WeakPolarHBondContact O-CA 3.49Å; L394-C408 HydrophobicContact CB-CB 4.3Å; C408-A424 PolarHBondContact N-O 3.49Å; C408-I425 WeakPolarHBondContact O-CA 3.47Å; C408-Q426 PolarHBondContact O-N 2.87Å
409R97.3Very high96.5Very high0 Ų016.6 Ų16.60%08%0.079CC..EExtended strand (participates in β ladder)trans-77-47.8168.6-170.3165.8-76.7117.8-3111.5T82 I390 E391 N392 Q426 S427 V496 N497 L498T82-R409 HydrophobicContact CG2-CG 4.45Å; I390-R409 PolarHBondContact O-N 3.15Å; E391-R409 WeakPolarHBondContact O-CB 3.24Å; E391-R409 PolarHBondContact O-NH1 2.85Å; N392-R409 WeakPolarHBondContact O-CB 3.43Å; R409-Q426 HydrophobicContact CB-CG 4.3Å; R409-Q426 HydrophobicContact CG-CB 4.07Å; R409-Q426 HydrophobicContact CG-CG 4.22Å; R409-Q426 PolarHBondContact O-N 3.15Å; R409-S427 PolarHBondContact O-N 3.44Å; R409-S427 PolarHBondContact O-OG 2.86Å; R409-V496 PolarHBondContact NH2-O 3.19Å; R409-V496 VanDerWaalsContact NH2-O 3.16Å; R409-N497 PolarHBondContact NH2-O 2.87Å; R409-L498 HydrophobicContact CB-CD2 3.79Å
410R97.2Very high96.6Very high2 Ų218.1 Ų18.11%0.0089%0.089CC..EExtended strand (participates in β ladder)trans-127.8149.4178.2-63.3169.769.8-115.67.5111.9Y20 T79 N392 T393 L394Y20-R410 PolarHBondContact O-NH1 3.35Å; Y20-R410 PolarHBondContact O-NH2 2.84Å; T79-R410 PolarHBondContact OG1-NE 3.34Å; T79-R410 PolarHBondContact OG1-NH2 3.48Å; N392-R410 PolarHBondContact O-N 3.3Å; T393-R410 WeakPolarHBondContact CA-O 3.27Å; T393-R410 HydrophobicContact CG2-CB 4.35Å; T393-R410 PolarHBondContact OG1-NH1 2.88Å; L394-R410 PolarHBondContact N-O 2.99Å
411A97.8Very high96.6Very high1 Ų116.2 Ų16.21%0.0088%0.08CC..EExtended strand (participates in β ladder)trans-132.4134.8169.300000110.4L394 L423 I425 I430L394-A411 HydrophobicContact CB-CB 4.41Å; L394-A411 CarbonylContact O-C 3.55Å; L394-A411 VanDerWaalsContact O-CA 3.25Å; L394-A411 WeakPolarHBondContact O-CA 3.45Å; A411-L423 HydrophobicContact CB-CD1 4.35Å; A411-I425 HydrophobicContact CB-CD1 3.48Å; A411-I425 VanDerWaalsContact CB-CD1 3.48Å; A411-I430 PolarHBondContact O-N 2.9Å
412V96.3Very high96.7Very high6 Ų613.8 Ų13.84%0.0367%0.067CC..EExtended strand (participates in β ladder)trans-132.8126.2179.7-172.40000109.8T393 L394 Q395 L396 I430 I432T393-V412 HydrophobicContact CG2-CG2 4.24Å; L394-V412 PolarHBondContact O-N 2.82Å; Q395-V412 CarbonylContact C-O 3.58Å; Q395-V412 VanDerWaalsContact CA-O 3.32Å; Q395-V412 WeakPolarHBondContact CA-O 3.29Å; L396-V412 PolarHBondContact N-O 3.38Å; V412-I430 CarbonylContact C-O 3.59Å; V412-I430 WeakPolarHBondContact CA-O 3.48Å; V412-I430 HydrophobicContact CG1-CB 4.46Å; V412-I430 HydrophobicContact CG1-CG2 4.46Å; V412-I430 HydrophobicContact CG2-CB 4.34Å; V412-I430 HydrophobicContact CG2-CD1 4.47Å; V412-I432 HydrophobicContact CG1-CD1 3.89Å; V412-I432 HydrophobicContact CG1-CG1 4.38Å
413L95.7Very high96.7Very high0 Ų013.7 Ų13.70%07%0.066CC..EExtended strand (participates in β ladder)trans-119.1130.8-179.4-69.174.8000110.5L396 L421 I430 L431 I432 N474 I477L396-L413 HydrophobicContact CB-CG 4.22Å; L396-L413 HydrophobicContact CD2-CD2 4.36Å; L396-L413 HydrophobicContact CD2-CG 4.34Å; L396-L413 CarbonylContact O-C 3.52Å; L396-L413 WeakPolarHBondContact O-CA 3.26Å; L413-L421 HydrophobicContact CD1-CD2 3.87Å; L413-L421 HydrophobicContact CD2-CD1 3.84Å; L413-L421 HydrophobicContact CD2-CD2 3.85Å; L413-L421 HydrophobicContact CG-CD2 4.22Å; L413-I430 PolarHBondContact N-O 3.24Å; L413-L431 HydrophobicContact CB-CD2 3.84Å; L413-L431 HydrophobicContact CD1-CD2 3.91Å; L413-L431 HydrophobicContact CD2-CD2 3.8Å; L413-L431 HydrophobicContact CG-CD2 4.05Å; L413-I432 WeakPolarHBondContact O-CB 3.48Å; L413-I432 PolarHBondContact O-N 3.44Å; L413-N474 PolarHBondContact O-ND2 3.22Å; L413-I477 HydrophobicContact CD2-CD1 4.18Å; L413-I477 HydrophobicContact CD2-CG2 4.04Å
414A91.7Very high96.8Very high4 Ų411.8 Ų11.83%0.0336%0.057CC..EExtended strand (participates in β ladder)trans-131.1128.2174.800000111.2L396 N397 H398 C416 I432L396-A414 PolarHBondContact O-N 2.89Å; N397-A414 WeakPolarHBondContact CA-O 3.26Å; H398-A414 PolarHBondContact N-O 2.85Å; A414-C416 PolarHBondContact O-N 3.43Å; A414-C416 VanDerWaalsContact O-N 3.14Å; A414-C416 PolarHBondContact O-SG 2.89Å; A414-I432 HydrophobicContact CB-CB 4.34Å; A414-I432 HydrophobicContact CB-CD1 4.43Å
415S90.6Very high96.7Very high36 Ų3611.8 Ų11.825%0.2526%0.057SC..SBendtrans50.636.9175.7-57.70000115H398 V472 G473 N474H398-S415 WeakPolarHBondContact CA-O 3.46Å; S415-V472 WeakPolarHBondContact CB-O 3.27Å; S415-V472 PolarHBondContact OG-O 3.1Å; S415-G473 WeakPolarHBondContact CA-O 3.35Å; S415-N474 PolarHBondContact N-OD1 2.92Å
416C94.4Very high96.6Very high0 Ų012 Ų120%06%0.058CC..  trans-97.2148.4178.7-61.60000111.9L396 C399 A414 N474 E475 I477L396-C416 PolarHBondContact O-SG 2.87Å; C399-C416 HydrophobicContact CB-CB 4.39Å; C399-C416 PolarHBondContact N-SG 3.2Å; C399-C416 VanDerWaalsContact N-SG 3.42Å; C399-C416 CarbonylContact O-C 3.49Å; C399-C416 WeakPolarHBondContact O-CA 3.47Å; A414-C416 PolarHBondContact O-N 3.43Å; A414-C416 VanDerWaalsContact O-N 3.14Å; A414-C416 PolarHBondContact O-SG 2.89Å; C416-N474 WeakPolarHBondContact CB-OD1 3.47Å; C416-N474 PolarHBondContact N-OD1 2.98Å; C416-N474 CarbonylContact O-C 3.53Å; C416-N474 WeakPolarHBondContact O-CA 3.39Å; C416-E475 PolarHBondContact O-N 3.16Å; C416-I477 HydrophobicContact CB-CD1 4.01Å
417R95.2Very high96.5Very high80 Ų8012.8 Ų12.830%0.3026%0.063SC..BIsolated β-bridgetrans-141125.6-167.7174.9173162.360.97.6112C399 E400 D401 E475 E476C399-R417 PolarHBondContact O-N 3.14Å; E400-R417 VanDerWaalsContact CA-O 3.22Å; E400-R417 WeakPolarHBondContact CA-O 3.49Å; E400-R417 HydrophobicContact CG-CB 4.28Å; E400-R417 IonicContact OE1-NE 2.83Å; D401-R417 PolarHBondContact N-O 2.71Å; D401-R417 VanDerWaalsContact N-O 3.11Å; R417-E475 CarbonylContact C-O 3.46Å; R417-E475 VanDerWaalsContact CA-O 3.26Å; R417-E475 WeakPolarHBondContact CA-O 3.34Å; R417-E475 HydrophobicContact CB-CB 4.38Å; R417-E475 VanDerWaalsContact CD-OE2 3.3Å; R417-E475 WeakPolarHBondContact CD-OE2 3.32Å; R417-E475 HydrophobicContact CG-CB 4.2Å; R417-E475 IonicContact CZ-OE2 2.77Å; R417-E475 IonicContact NE-OE2 2.72Å; R417-E475 IonicContact NH1-OE2 3.82Å; R417-E475 PolarHBondContact NH1-OE2 3.12Å; R417-E476 IonicContact CZ-OE1 2.79Å; R417-E476 IonicContact NH1-OE1 3.77Å; R417-E476 PolarHBondContact NH1-OE1 3.28Å
418R95.7Very high96.4Very high75 Ų7516.4 Ų16.428%0.2838%0.076SC..SBendtrans51.653.8-171.4-66.4-178.3-51.2-61.5-14.4113D401 C402 E475 E476D401-R418 CarbonylContact C-O 3.59Å; D401-R418 WeakPolarHBondContact CA-O 3.31Å; D401-R418 VanDerWaalsContact CG-NH2 3.29Å; D401-R418 PolarHBondContact N-O 3.17Å; D401-R418 IonicContact OD1-CZ 3.32Å; D401-R418 IonicContact OD1-NE 2.86Å; D401-R418 PolarHBondContact OD1-NE 3.27Å; D401-R418 IonicContact OD1-NH2 3.87Å; D401-R418 PolarHBondContact OD1-NH2 3.3Å; D401-R418 IonicContact OD2-NH2 2.7Å; D401-R418 PolarHBondContact OD2-NH2 3.03Å; C402-R418 PolarHBondContact N-O 3Å; R418-E475 PolarHBondContact N-O 2.94Å; R418-E476 WeakPolarHBondContact CA-O 3.25Å; R418-E476 WeakPolarHBondContact CD-OE2 3.38Å; R418-E476 HydrophobicContact CG-CB 3.76Å; R418-E476 HydrophobicContact CG-CG 4.36Å; R418-E476 WeakPolarHBondContact CG-OE2 3.29Å
419C97.7Very high96.4Very high0 Ų016.4 Ų16.40%08%0.076CC..  trans-108.9130174.6-64.80000110C399 C402 L421 I477 L478C399-C419 PolarHBondContact O-SG 3.07Å; C399-C419 VanDerWaalsContact O-SG 3.41Å; C402-C419 CarbonylContact O-C 3.57Å; C402-C419 VanDerWaalsContact O-CA 3.24Å; C402-C419 WeakPolarHBondContact O-CA 3.24Å; C419-L421 HydrophobicContact CB-CD1 3.78Å; C419-I477 HydrophobicContact CB-CD1 3.86Å; C419-I477 WeakPolarHBondContact O-CA 3.42Å; C419-L478 PolarHBondContact O-N 3.27Å
420T98Very high96.3Very high33 Ų3316.7 Ų16.720%0.2028%0.078CC..EExtended strand (participates in β ladder)trans-103.2119.6174.7-56.60000108.6C402 L403 V404 L478C402-T420 PolarHBondContact O-N 3.2Å; L403-T420 WeakPolarHBondContact CA-O 3.39Å; L403-T420 HydrophobicContact CD1-CG2 3.96Å; V404-T420 PolarHBondContact N-O 3.04Å; T420-L478 CarbonylContact C-O 3.58Å; T420-L478 WeakPolarHBondContact CA-O 3.41Å; T420-L478 HydrophobicContact CG2-CB 4.1Å
421L98.6Very high96.2Very high0 Ų016.6 Ų16.60%08%0.077CC..EExtended strand (participates in β ladder)trans-116.3114.7-177.7-72.281000110.4L396 V404 L413 C419 L423 I477 L478 L479 A480L396-L421 HydrophobicContact CD1-CD2 4.36Å; L396-L421 HydrophobicContact CD2-CD1 4.2Å; L396-L421 HydrophobicContact CD2-CD2 4.08Å; L396-L421 HydrophobicContact CD2-CG 4.38Å; V404-L421 HydrophobicContact CB-CG 4.28Å; V404-L421 CarbonylContact O-C 3.56Å; V404-L421 WeakPolarHBondContact O-CA 3.5Å; L413-L421 HydrophobicContact CD1-CD2 3.87Å; L413-L421 HydrophobicContact CD2-CD1 3.84Å; L413-L421 HydrophobicContact CD2-CD2 3.85Å; L413-L421 HydrophobicContact CG-CD2 4.22Å; C419-L421 HydrophobicContact CB-CD1 3.78Å; L421-L423 HydrophobicContact CB-CD1 4.17Å; L421-L423 HydrophobicContact CB-CD2 4.33Å; L421-L423 HydrophobicContact CB-CG 4.01Å; L421-L423 HydrophobicContact CD2-CD1 4.24Å; L421-L423 HydrophobicContact CD2-CD2 4.46Å; L421-I477 HydrophobicContact CD1-CG2 4.21Å; L421-L478 PolarHBondContact N-O 3Å; L421-L479 HydrophobicContact CB-CD2 4.13Å; L421-A480 PolarHBondContact O-N 3.37Å
422H98.3Very high95.9Very high7 Ų717.1 Ų17.13%0.0328%0.08CC..EExtended strand (participates in β ladder)trans-96.1106.2171.4-69.4-97.3000109.6V404 I405 A406 A480 P481 H483V404-H422 PolarHBondContact O-N 2.84Å; I405-H422 WeakPolarHBondContact CA-O 3.42Å; I405-H422 HydrophobicContact CB-CB 4.39Å; I405-H422 HydrophobicContact CG1-CB 4.11Å; I405-H422 HydrophobicContact CG2-CB 4.17Å; A406-H422 PolarHBondContact N-O 2.91Å; H422-A480 CarbonylContact C-O 3.52Å; H422-A480 WeakPolarHBondContact CA-O 3.24Å; H422-A480 WeakPolarHBondContact CE1-CB 3.23Å; H422-A480 WeakPolarHBondContact ND1-CB 3.15Å; H422-P481 PolarHBondContact ND1-O 3.3Å; H422-P481 VanDerWaalsContact ND1-O 3.07Å; H422-H483 AromaticContact CE1-CD2 3.91Å; H422-H483 AromaticContact CE1-NE2 3.84Å; H422-H483 AromaticContact CG-CD2 3.47Å; H422-H483 VanDerWaalsContact CG-CD2 3.47Å; H422-H483 AromaticContact ND1-CD2 3.2Å; H422-H483 PolarHBondContact ND1-CD2 2.95Å; H422-H483 AromaticContact ND1-CG 3.83Å
423L98.3Very high95.5Very high0 Ų017.9 Ų17.90%08%0.083CC..EExtended strand (participates in β ladder)trans-118.2143.7-166.4-62178.1000113.9L394 A406 A411 L421 I425 P429 A480 F482 N503 W505L394-L423 HydrophobicContact CD2-CD2 4.16Å; A406-L423 HydrophobicContact CB-CD2 4.47Å; A406-L423 WeakPolarHBondContact O-CA 3.35Å; A411-L423 HydrophobicContact CB-CD1 4.35Å; L421-L423 HydrophobicContact CB-CD1 4.17Å; L421-L423 HydrophobicContact CB-CD2 4.33Å; L421-L423 HydrophobicContact CB-CG 4.01Å; L421-L423 HydrophobicContact CD2-CD1 4.24Å; L421-L423 HydrophobicContact CD2-CD2 4.46Å; L423-I425 HydrophobicContact CB-CB 4.37Å; L423-I425 HydrophobicContact CB-CG2 4.27Å; L423-P429 HydrophobicContact CD1-CG 4.12Å; L423-A480 PolarHBondContact N-O 3.03Å; L423-F482 PolarHBondContact O-N 2.77Å; L423-N503 PolarHBondContact O-ND2 3.49Å; L423-N503 PolarHBondContact O-OD1 2.71Å; L423-W505 HydrophobicContact CB-CB 3.95Å
424A97.9Very high94.5Very high3 Ų319.4 Ų19.43%0.0259%0.093CC..EExtended strand (participates in β ladder)trans-117.9104.315700000107.5A406 A407 C408 F482 N503 I616A406-A424 PolarHBondContact O-N 2.72Å; A406-A424 VanDerWaalsContact O-N 3.13Å; A407-A424 CarbonylContact C-O 3.48Å; A407-A424 VanDerWaalsContact CA-O 3.32Å; A407-A424 WeakPolarHBondContact CA-O 3.4Å; A407-A424 HydrophobicContact CB-CB 3.99Å; C408-A424 PolarHBondContact N-O 3.49Å; A424-F482 HydrophobicContact CB-CB 3.79Å; A424-F482 HydrophobicContact CB-CG 4.19Å; A424-N503 WeakPolarHBondContact CA-OD1 3.48Å; A424-I616 HydrophobicContact CB-CD1 3.43Å; A424-I616 VanDerWaalsContact CB-CD1 3.43Å; A424-I616 HydrophobicContact CB-CG2 4.08Å
425I98Very high93.4Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-133.9126.8-162.5-166.6179.6000114.2C408 A411 L423 S427 P429 N503 Y504 W505C408-I425 WeakPolarHBondContact O-CA 3.47Å; A411-I425 HydrophobicContact CB-CD1 3.48Å; A411-I425 VanDerWaalsContact CB-CD1 3.48Å; L423-I425 HydrophobicContact CB-CB 4.37Å; L423-I425 HydrophobicContact CB-CG2 4.27Å; I425-S427 VanDerWaalsContact C-N 3.27Å; I425-S427 WeakPolarHBondContact CD1-O 3.4Å; I425-S427 WeakPolarHBondContact CG1-O 3.35Å; I425-S427 PolarHBondContact O-N 2.75Å; I425-P429 HydrophobicContact CD1-CB 4.43Å; I425-P429 HydrophobicContact CD1-CG 4.02Å; I425-P429 HydrophobicContact CG2-CG 4.21Å; I425-N503 PolarHBondContact N-OD1 2.68Å; I425-N503 WeakPolarHBondContact O-CA 3.45Å; I425-Y504 PolarHBondContact O-N 2.84Å; I425-W505 HydrophobicContact CG2-CB 4.08Å; I425-W505 VanDerWaalsContact CG2-N 3.33Å
426Q96.3Very high91.8Very high4 Ų425.7 Ų25.72%0.01913%0.131CC..SBendtrans-74.8-14.7-176.3-46.2-64.1-81.200113.7C408 R409 L498 S499 V502 Y504C408-Q426 PolarHBondContact O-N 2.87Å; R409-Q426 HydrophobicContact CB-CG 4.3Å; R409-Q426 HydrophobicContact CG-CB 4.07Å; R409-Q426 HydrophobicContact CG-CG 4.22Å; R409-Q426 PolarHBondContact O-N 3.15Å; Q426-L498 HydrophobicContact CG-CD2 3.61Å; Q426-S499 PolarHBondContact NE2-O 2.92Å; Q426-S499 VanDerWaalsContact OE1-CB 3.28Å; Q426-V502 HydrophobicContact CB-CG1 4.38Å; Q426-V502 PolarHBondContact NE2-O 3.03Å; Q426-Y504 WeakPolarHBondContact O-CD2 3.37Å; Q426-Y504 VanDerWaalsContact O-CE2 3.25Å; Q426-Y504 WeakPolarHBondContact O-CE2 3.44Å
427S95.5Very high89.6Confident16 Ų1630.7 Ų30.711%0.11216%0.164CC..SBendtrans-133.9162.6177.772.40000112.1R409 I425R409-S427 PolarHBondContact O-N 3.44Å; R409-S427 PolarHBondContact O-OG 2.86Å; I425-S427 VanDerWaalsContact C-N 3.27Å; I425-S427 WeakPolarHBondContact CD1-O 3.4Å; I425-S427 WeakPolarHBondContact CG1-O 3.35Å; I425-S427 PolarHBondContact O-N 2.75Å
428R96.5Very high86.9Confident78 Ų7832.5 Ų32.529%0.29418%0.179SC..  trans-57.1127.9174.5-67.4-179.865-175.6-2.2111.8D71 I430 Y504 R507 P508 F509D71-R428 IonicContact OD1-NH1 3.14Å; D71-R428 PolarHBondContact OD1-NH1 3.25Å; D71-R428 IonicContact OD2-CZ 2.7Å; D71-R428 IonicContact OD2-NH1 2.7Å; D71-R428 PolarHBondContact OD2-NH1 2.8Å; D71-R428 IonicContact OD2-NH2 2.68Å; R428-I430 PolarHBondContact O-N 2.89Å; R428-Y504 HydrophobicContact CG-CD1 4.29Å; R428-R507 WeakPolarHBondContact CB-O 3.41Å; R428-R507 HydrophobicContact CG-CB 4.32Å; R428-R507 WeakPolarHBondContact CG-O 3.5Å; R428-R507 PolarHBondContact NE-O 2.86Å; R428-P508 PolarHBondContact NH2-O 2.86Å; R428-F509 HydrophobicContact CB-CB 4.34Å
429P97.5Very high84Confident0 Ų035 Ų350%020%0.203CC..  trans-57.9128.8174.2-2330.2000111.8L423 I425 Y504 P508 F509L423-P429 HydrophobicContact CD1-CG 4.12Å; I425-P429 HydrophobicContact CD1-CB 4.43Å; I425-P429 HydrophobicContact CD1-CG 4.02Å; I425-P429 HydrophobicContact CG2-CG 4.21Å; P429-Y504 WeakPolarHBondContact CD-O 3.37Å; P429-P508 HydrophobicContact CB-CB 4.37Å; P429-P508 CarbonylContact O-C 3.53Å; P429-P508 WeakPolarHBondContact O-CA 3.43Å; P429-P508 WeakPolarHBondContact O-CB 3.42Å; P429-F509 PolarHBondContact O-N 3.31Å
430I95.8Very high81.1Confident5 Ų542.3 Ų42.33%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-96.1113.2-175.8-57.9175.9000109.4F23 V75 A411 V412 L413 R428 I432 F509 L511F23-I430 HydrophobicContact CE1-CD1 3.58Å; F23-I430 HydrophobicContact CE1-CG2 4.45Å; F23-I430 HydrophobicContact CZ-CD1 4Å; V75-I430 HydrophobicContact CG1-CD1 3.69Å; A411-I430 PolarHBondContact O-N 2.9Å; V412-I430 CarbonylContact C-O 3.59Å; V412-I430 WeakPolarHBondContact CA-O 3.48Å; V412-I430 HydrophobicContact CG1-CB 4.46Å; V412-I430 HydrophobicContact CG1-CG2 4.46Å; V412-I430 HydrophobicContact CG2-CB 4.34Å; V412-I430 HydrophobicContact CG2-CD1 4.47Å; L413-I430 PolarHBondContact N-O 3.24Å; R428-I430 PolarHBondContact O-N 2.89Å; I430-I432 HydrophobicContact CG2-CG1 4.48Å; I430-F509 HydrophobicContact CG2-CD1 4.42Å; I430-L511 HydrophobicContact CG2-CB 4.03Å; I430-L511 HydrophobicContact CG2-CD2 4.13Å
431L95.1Very high78Confident0 Ų046.8 Ų46.80%027%0.273CS..EExtended strand (participates in β ladder)trans-101.2108.2175.8-53.9-177.4000108.8L413 P508 F509 L510 L511 W530L413-L431 HydrophobicContact CB-CD2 3.84Å; L413-L431 HydrophobicContact CD1-CD2 3.91Å; L413-L431 HydrophobicContact CD2-CD2 3.8Å; L413-L431 HydrophobicContact CG-CD2 4.05Å; L431-P508 HydrophobicContact CD1-CB 3.84Å; L431-P508 HydrophobicContact CD1-CG 4.35Å; L431-P508 HydrophobicContact CG-CB 4.01Å; L431-F509 PolarHBondContact N-O 3.34Å; L431-L510 HydrophobicContact CB-CD2 3.81Å; L431-L510 HydrophobicContact CD1-CD2 3.91Å; L431-L510 HydrophobicContact CG-CD2 4.33Å; L431-L510 WeakPolarHBondContact O-CA 3.28Å; L431-L511 PolarHBondContact O-N 3.34Å; L431-W530 HydrophobicContact CD1-CB 3.68Å; L431-W530 VanDerWaalsContact CD1-CD1 3.49Å; L431-W530 HydrophobicContact CD1-CG 3.6Å
432I91.5Very high74.8Confident12 Ų1249.2 Ų49.26%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-74129176.7-69.7176.3000109.3Q24 V25 V412 L413 A414 I430 N474 L511Q24-I432 HydrophobicContact CB-CD1 3.86Å; V25-I432 HydrophobicContact CG1-CG1 4.42Å; V25-I432 HydrophobicContact CG1-CG2 3.52Å; V412-I432 HydrophobicContact CG1-CD1 3.89Å; V412-I432 HydrophobicContact CG1-CG1 4.38Å; L413-I432 WeakPolarHBondContact O-CB 3.48Å; L413-I432 PolarHBondContact O-N 3.44Å; A414-I432 HydrophobicContact CB-CB 4.34Å; A414-I432 HydrophobicContact CB-CD1 4.43Å; I430-I432 HydrophobicContact CG2-CG1 4.48Å; I432-N474 PolarHBondContact N-ND2 2.77Å; I432-N474 PolarHBondContact O-ND2 2.72Å; I432-L511 WeakPolarHBondContact CA-O 3.38Å; I432-L511 HydrophobicContact CG1-CB 4.49Å; I432-L511 HydrophobicContact CG1-CD2 4.37Å
433Q87.7Confident71.6Confident22 Ų2254.5 Ų54.510%0.10334%0.336CS..  trans-125.8135176.7-68.7-62.3-12.100109.9G473 N474 L511 G512 C529Q433-G473 VanDerWaalsContact OE1-CA 3.29Å; Q433-N474 PolarHBondContact NE2-O 3.43Å; Q433-L511 PolarHBondContact N-O 2.68Å; Q433-G512 CarbonylContact O-C 3.53Å; Q433-G512 WeakPolarHBondContact O-CA 3.18Å; Q433-C529 PolarHBondContact NE2-SG 3Å
434P75.3Confident68.6Low32 Ų3262.4 Ų62.421%0.20838%0.375CS..PPolyproline II helixtrans-66.8151.3174.729.2-34.2000110.2V436 L471 G473P434-V436 PolarHBondContact O-N 3.48Å; P434-L471 HydrophobicContact CB-CB 3.74Å; P434-L471 HydrophobicContact CB-CD1 4.35Å; P434-L471 HydrophobicContact CG-CB 4.2Å; P434-L471 WeakPolarHBondContact CG-O 3.44Å; P434-G473 VanDerWaalsContact CD-CA 3.44Å
435P66.7Low65.5Low99 Ų9969.9 Ų69.964%0.64341%0.413SS*.PPolyproline II helixtrans-61122.2173.126.4-33.7000109.1
436V58Low62.7Low73 Ų7377 Ų7744%0.44245%0.449SS..PPolyproline II helixtrans-62.9123.6-178.5-177.30000108.8P434 N438P434-V436 PolarHBondContact O-N 3.48Å; V436-N438 PolarHBondContact O-N 3.36Å
437P47.5Very low59.7Low105 Ų10580.9 Ų80.968%0.68248%0.477SS*.PPolyproline II helixtrans-61.9123175.725.3-33000109.2T439P437-T439 PolarHBondContact O-N 3.3Å
438N38.2Very low56.9Low119 Ų11987.6 Ų87.664%0.63651%0.512SS*.  trans-67.999.2176-78.9-51.5000109.2V436 I440 R517V436-N438 PolarHBondContact O-N 3.36Å; N438-I440 PolarHBondContact O-N 2.82Å; N438-R517 PolarHBondContact OD1-NH2 3.01Å; N438-R517 VanDerWaalsContact OD1-NH2 3.12Å
439T35.3Very low54.3Low127 Ų12791.2 Ų91.278%0.77954%0.535SS*.  trans-65.4103.1163.338.50000108.7P437 S441P437-T439 PolarHBondContact O-N 3.3Å; T439-S441 PolarHBondContact O-N 2.77Å
440I37.7Very low51.6Low153 Ų15397 Ų9779%0.78557%0.573SS**  trans-73.196.1175.8-60.1174.2000108N438 G442N438-I440 PolarHBondContact O-N 2.82Å; I440-G442 VanDerWaalsContact C-N 3.29Å; I440-G442 PolarHBondContact O-N 2.88Å
441S32.1Very low48.8Very low128 Ų128100.6 Ų100.690%0.89561%0.611SS**  trans-65.790.8163.8-65.50000108.8T439T439-S441 PolarHBondContact O-N 2.77Å
442G32.3Very low46.1Very low51 Ų51107.7 Ų107.753%0.52665%0.649SS.*  trans-15637.5-169.100000114.1I440 M444I440-G442 VanDerWaalsContact C-N 3.29Å; I440-G442 PolarHBondContact O-N 2.88Å; G442-M444 VanDerWaalsContact C-N 3.34Å; G442-M444 PolarHBondContact O-N 2.82Å
443S30.3Very low43.7Very low118 Ų118114.5 Ų114.583%0.82569%0.685SS**  trans-72.988.3170.3-170.70000109.9
444M35.6Very low41.2Very low166 Ų166119 Ų11982%0.81872%0.719SS**  trans-94.2103.5167.6-74.8-152.5-75.800109.9G442 I446G442-M444 VanDerWaalsContact C-N 3.34Å; G442-M444 PolarHBondContact O-N 2.82Å; M444-I446 PolarHBondContact O-N 3.19Å
445I32.3Very low39.4Very low159 Ų159121.1 Ų121.182%0.81575%0.747SS**  trans-71.6114.2169-59.1170.3000107.6
446I39.3Very low37.8Very low150 Ų150122.9 Ų122.977%0.76976%0.756SS**  trans-129.1128.9164.2-59.9-177.3000107.6M444M444-I446 PolarHBondContact O-N 3.19Å
447S33.7Very low36.8Very low85 Ų85127.2 Ų127.259%0.59478%0.777SS**  trans-79.8152.3-175.854.70000112.7
448N36.9Very low36.1Very low157 Ų157128.9 Ų128.984%0.8479%0.785SS**  -168.3159.9112.6-88.5-11.4000112.3
449I40.9Very low35.9Very low154 Ų154128.2 Ų128.279%0.7979%0.79SS**  trans-139.3159-166.1-68.9165.4000106
450P41.4Very low36.1Very low122 Ų122128.2 Ų128.279%0.79279%0.79SS**  cis-122.6174.4-4.526.2-5.3000114.8
451G37.6Very low36.1Very low80 Ų80127.3 Ų127.383%0.82579%0.794SS**  trans-144.1118.7155.700000109.5
452N37.7Very low36.4Very low149 Ų149124.8 Ų124.880%0.79779%0.788SS**  trans-97.1127.2-167.5-174.827.3000112.7
453N40.2Very low36.4Very low155 Ų155128.8 Ų128.883%0.82980%0.802SS**  trans-167145.4140.8-107.4-22.3000112.8
454S36.7Very low36.6Very low116 Ų116129.1 Ų129.181%0.81180%0.802SS**  trans-86.1135.7-179.753.60000112.7
455G37Very low36.4Very low77 Ų77127.2 Ų127.279%0.79480%0.8SS**  trans-166.486.8173.900000112.7
456T33.3Very low36.5Very low137 Ų137125.9 Ų125.984%0.8480%0.802SS**  trans-72.8123.1174.648.80000111
457N37.6Very low36Very low164 Ų164121.6 Ų121.688%0.87779%0.794SS**  trans-156138156.5-100.9-36.1000111.2
458T32.2Very low36Very low139 Ų139123.3 Ų123.385%0.85381%0.806SS**  trans-109.1122.6-177.649.70000111
459S34.5Very low36Very low106 Ų106121 Ų12174%0.74180%0.797SS**  trans-158.6136.5165.741.30000114.5
460T39.4Very low36.3Very low126 Ų126117.4 Ų117.477%0.77379%0.791SS**  trans54.912115452.60000120.3
461P38.2Very low36.9Very low135 Ų135115.8 Ų115.888%0.87778%0.775SS**PPolyproline II helixtrans-71.9132166.331.2-33000111.1
462G36.5Very low38.3Very low74 Ų74115.7 Ų115.776%0.76376%0.759SS**PPolyproline II helixtrans-72.8154.818000000114.1
463T34Very low40.5Very low135 Ų135109 Ų10983%0.82873%0.725SS**PPolyproline II helixtrans-60.6141.7176.3140000112.4T465T463-T465 PolarHBondContact O-N 3.19Å
464P33.3Very low43Very low125 Ų125101.8 Ų101.881%0.81269%0.686SS**PPolyproline II helixtrans-69.7120.5175.928.3-33.5000110.9
465T31.4Very low45.6Very low127 Ų12799.4 Ų99.478%0.77966%0.662SS**PPolyproline II helixtrans-57.8146.5169.7-12.50000110.2T463 G467T463-T465 PolarHBondContact O-N 3.19Å; T465-G467 PolarHBondContact O-N 3.37Å
466P34Very low48.3Very low131 Ų131100.2 Ų100.285%0.85165%0.645SS**  trans-60.2105.1178.8-24.435.3000111.4
467G30.2Very low51.3Low60 Ų6093.7 Ų93.762%0.61961%0.605SS**  trans-61.4141-176.500000111.9T465 V469T465-G467 PolarHBondContact O-N 3.37Å; G467-V469 PolarHBondContact O-N 3.31Å; G467-V469 VanDerWaalsContact O-N 3.1Å
468S32Very low54.2Low120 Ų12088.7 Ų88.784%0.83958%0.578SS**  trans-54.9118176-173.50000110A470S468-A470 VanDerWaalsContact C-N 3.29Å; S468-A470 PolarHBondContact O-N 2.87Å
469V36.9Very low57.3Low108 Ų10882.1 Ų82.166%0.65554%0.538SS*.  trans-7489.3177.3-177.30000107.7G467 L471G467-V469 PolarHBondContact O-N 3.31Å; G467-V469 VanDerWaalsContact O-N 3.1Å; V469-L471 PolarHBondContact O-N 2.87Å; V469-L471 VanDerWaalsContact O-N 3.11Å
470A47.2Very low60.3Low80 Ų8077 Ų7766%0.66150%0.502SS*.PPolyproline II helixtrans-55117.4171.200000108.7S468 V472S468-A470 VanDerWaalsContact C-N 3.29Å; S468-A470 PolarHBondContact O-N 2.87Å; A470-V472 PolarHBondContact O-N 2.82Å
471L55.2Low63.1Low87 Ų8771.1 Ų71.146%0.45547%0.466SS..PPolyproline II helixtrans-65.2123.4176.4-70.5164.1000108.2L166 P434 V469L166-L471 HydrophobicContact CD1-CD2 4.39Å; L166-L471 HydrophobicContact CD2-CD1 3.51Å; L166-L471 HydrophobicContact CD2-CD2 3.98Å; L166-L471 HydrophobicContact CD2-CG 4.41Å; P434-L471 HydrophobicContact CB-CB 3.74Å; P434-L471 HydrophobicContact CB-CD1 4.35Å; P434-L471 HydrophobicContact CG-CB 4.2Å; P434-L471 WeakPolarHBondContact CG-O 3.44Å; V469-L471 PolarHBondContact O-N 2.87Å; V469-L471 VanDerWaalsContact O-N 3.11Å
472V67.7Low65.9Low79 Ų7965 Ų6548%0.47943%0.425SS..PPolyproline II helixtrans-77.2124.2175.2-177.10000107.8S415 A470S415-V472 WeakPolarHBondContact CB-O 3.27Å; S415-V472 PolarHBondContact OG-O 3.1Å; A470-V472 PolarHBondContact O-N 2.82Å
473G83.4Confident68.6Low8 Ų862.2 Ų62.28%0.08239%0.393CS..  trans-74.4-170176.400000112.6S415 Q433 P434S415-G473 WeakPolarHBondContact CA-O 3.35Å; Q433-G473 VanDerWaalsContact OE1-CA 3.29Å; P434-G473 VanDerWaalsContact CD-CA 3.44Å
474N91.2Very high71.4Confident3 Ų355.9 Ų55.92%0.01635%0.354CS..  trans-75.9139.8161.3-64.4-75.1000109.3L413 S415 C416 I432 Q433 I477 C529L413-N474 PolarHBondContact O-ND2 3.22Å; S415-N474 PolarHBondContact N-OD1 2.92Å; C416-N474 WeakPolarHBondContact CB-OD1 3.47Å; C416-N474 PolarHBondContact N-OD1 2.98Å; C416-N474 CarbonylContact O-C 3.53Å; C416-N474 WeakPolarHBondContact O-CA 3.39Å; I432-N474 PolarHBondContact N-ND2 2.77Å; I432-N474 PolarHBondContact O-ND2 2.72Å; Q433-N474 PolarHBondContact NE2-O 3.43Å; N474-I477 HydrophobicContact CB-CD1 4.36Å; N474-I477 HydrophobicContact CB-CG1 3.88Å; N474-C529 WeakPolarHBondContact O-CB 3.34Å
475E92.4Very high74.2Confident67 Ų6750.8 Ų50.831%0.31332%0.321SS..BIsolated β-bridgetrans-136.1143.7-176.1-67.5177.8175.700111.1C416 R417 R418 I477 C529C416-E475 PolarHBondContact O-N 3.16Å; R417-E475 CarbonylContact C-O 3.46Å; R417-E475 VanDerWaalsContact CA-O 3.26Å; R417-E475 WeakPolarHBondContact CA-O 3.34Å; R417-E475 HydrophobicContact CB-CB 4.38Å; R417-E475 VanDerWaalsContact CD-OE2 3.3Å; R417-E475 WeakPolarHBondContact CD-OE2 3.32Å; R417-E475 HydrophobicContact CG-CB 4.2Å; R417-E475 IonicContact CZ-OE2 2.77Å; R417-E475 IonicContact NE-OE2 2.72Å; R417-E475 IonicContact NH1-OE2 3.82Å; R417-E475 PolarHBondContact NH1-OE2 3.12Å; R418-E475 PolarHBondContact N-O 2.94Å; E475-I477 PolarHBondContact O-N 2.94Å; E475-I477 VanDerWaalsContact O-N 3.08Å; E475-C529 CarbonylContact C-O 3.59Å
476E93.4Very high77Confident93 Ų9346 Ų4644%0.43529%0.288SS..SBendtrans5335.4171.3-58.5165-127.200112.9R417 R418 C529R417-E476 IonicContact CZ-OE1 2.79Å; R417-E476 IonicContact NH1-OE1 3.77Å; R417-E476 PolarHBondContact NH1-OE1 3.28Å; R418-E476 WeakPolarHBondContact CA-O 3.25Å; R418-E476 WeakPolarHBondContact CD-OE2 3.38Å; R418-E476 HydrophobicContact CG-CB 3.76Å; R418-E476 HydrophobicContact CG-CG 4.36Å; R418-E476 WeakPolarHBondContact CG-OE2 3.29Å; E476-C529 PolarHBondContact N-O 3.1Å
477I96.9Very high79.6Confident0 Ų045.7 Ų45.70%028%0.277CS..EExtended strand (participates in β ladder)trans-80.6120.9179.9-56.9-61000110.3L413 C416 C419 L421 N474 E475 L479 C529 W530 D531L413-I477 HydrophobicContact CD2-CD1 4.18Å; L413-I477 HydrophobicContact CD2-CG2 4.04Å; C416-I477 HydrophobicContact CB-CD1 4.01Å; C419-I477 HydrophobicContact CB-CD1 3.86Å; C419-I477 WeakPolarHBondContact O-CA 3.42Å; L421-I477 HydrophobicContact CD1-CG2 4.21Å; N474-I477 HydrophobicContact CB-CD1 4.36Å; N474-I477 HydrophobicContact CB-CG1 3.88Å; E475-I477 PolarHBondContact O-N 2.94Å; E475-I477 VanDerWaalsContact O-N 3.08Å; I477-L479 HydrophobicContact CG2-CD2 3.99Å; I477-L479 HydrophobicContact CG2-CG 4.39Å; I477-C529 WeakPolarHBondContact CB-O 3.21Å; I477-C529 WeakPolarHBondContact CG1-O 3.43Å; I477-C529 PolarHBondContact N-O 3.47Å; I477-C529 VanDerWaalsContact N-O 3.09Å; I477-W530 HydrophobicContact CB-CB 3.94Å; I477-W530 HydrophobicContact CG2-CB 4.41Å; I477-W530 CarbonylContact O-C 3.57Å; I477-W530 WeakPolarHBondContact O-CA 3.17Å; I477-W530 WeakPolarHBondContact O-CB 3.28Å; I477-D531 PolarHBondContact O-N 1.99Å
478L97.5Very high82.5Confident60 Ų6047 Ų4731%0.31427%0.266SS..EExtended strand (participates in β ladder)trans-99.6123.5174-66.5177.2000110.3C419 T420 L421 D531 L533C419-L478 PolarHBondContact O-N 3.27Å; T420-L478 CarbonylContact C-O 3.58Å; T420-L478 WeakPolarHBondContact CA-O 3.41Å; T420-L478 HydrophobicContact CG2-CB 4.1Å; L421-L478 PolarHBondContact N-O 3Å; L478-D531 WeakPolarHBondContact CA-O 3.31Å; L478-D531 HydrophobicContact CD2-CB 4.45Å; L478-L533 HydrophobicContact CD1-CD1 4.4Å
479L98.4Very high85.5Confident0 Ų041.4 Ų41.40%023%0.226CC..EExtended strand (participates in β ladder)trans-101.7140.1174.2-59178.4000110.3L421 I477 W505 P508 W530 D531 L532 L533L421-L479 HydrophobicContact CB-CD2 4.13Å; I477-L479 HydrophobicContact CG2-CD2 3.99Å; I477-L479 HydrophobicContact CG2-CG 4.39Å; L479-W505 HydrophobicContact CB-CE3 4.31Å; L479-W505 WeakPolarHBondContact O-CZ3 3.46Å; L479-P508 HydrophobicContact CD1-CB 3.88Å; L479-P508 HydrophobicContact CD1-CG 3.63Å; L479-W530 HydrophobicContact CD1-CE3 4.03Å; L479-D531 PolarHBondContact N-O 2.77Å; L479-L532 HydrophobicContact CB-CD2 4.12Å; L479-L532 WeakPolarHBondContact O-CA 2.93Å; L479-L533 PolarHBondContact O-N 3.34Å
480A97.8Very high88.2Confident0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-149.2160.1-17700000111.1L421 H422 L423 L533L421-A480 PolarHBondContact O-N 3.37Å; H422-A480 CarbonylContact C-O 3.52Å; H422-A480 WeakPolarHBondContact CA-O 3.24Å; H422-A480 WeakPolarHBondContact CE1-CB 3.23Å; H422-A480 WeakPolarHBondContact ND1-CB 3.15Å; L423-A480 PolarHBondContact N-O 3.03Å; A480-L533 HydrophobicContact CB-CB 3.87Å; A480-L533 HydrophobicContact CB-CD2 3.86Å
481P97.7Very high90.5Very high1 Ų140.8 Ų40.81%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-73.2151172.530.4-34.1000111.5H422 W505 F538 L618 P619 Y622H422-P481 PolarHBondContact ND1-O 3.3Å; H422-P481 VanDerWaalsContact ND1-O 3.07Å; P481-W505 HydrophobicContact CB-CD2 4.3Å; P481-W505 HydrophobicContact CB-CZ2 4.4Å; P481-W505 HydrophobicContact CG-CZ2 4.39Å; P481-F538 HydrophobicContact CG-CE2 3.8Å; P481-F538 HydrophobicContact CG-CZ 4.18Å; P481-L618 HydrophobicContact CB-CD2 3.86Å; P481-L618 HydrophobicContact CG-CD2 3.89Å; P481-P619 HydrophobicContact CB-CG 4.38Å; P481-P619 HydrophobicContact CG-CG 4.48Å; P481-Y622 HydrophobicContact CG-CD1 4.25Å; P481-Y622 HydrophobicContact CG-CD2 3.85Å; P481-Y622 HydrophobicContact CG-CE1 4.39Å; P481-Y622 HydrophobicContact CG-CE2 4Å; P481-Y622 HydrophobicContact CG-CG 3.99Å
482F96.9Very high92.5Very high6 Ų637.6 Ų37.63%0.02619%0.194CC..  trans-62.1139.5169.4-173.4-88.5000111.4I405 L423 A424 T484 L489 I616 L618I405-F482 HydrophobicContact CG2-CD2 3.84Å; I405-F482 HydrophobicContact CG2-CE2 3.82Å; L423-F482 PolarHBondContact O-N 2.77Å; A424-F482 HydrophobicContact CB-CB 3.79Å; A424-F482 HydrophobicContact CB-CG 4.19Å; F482-T484 HydrophobicContact CE1-CG2 3.87Å; F482-T484 WeakPolarHBondContact CE1-O 3.44Å; F482-T484 HydrophobicContact CE2-CG2 3.92Å; F482-T484 HydrophobicContact CZ-CG2 3.46Å; F482-T484 VanDerWaalsContact CZ-CG2 3.46Å; F482-L489 HydrophobicContact CE1-CD2 3.8Å; F482-L489 HydrophobicContact CZ-CD1 4.41Å; F482-L489 HydrophobicContact CZ-CD2 4.08Å; F482-I616 HydrophobicContact CD1-CB 4.46Å; F482-I616 HydrophobicContact CD1-CD1 3.82Å; F482-I616 HydrophobicContact CD1-CG1 4.42Å; F482-I616 HydrophobicContact CE1-CD1 4.12Å; F482-I616 HydrophobicContact CG-CD1 4.37Å; F482-L618 VanDerWaalsContact O-CD2 3.24Å; F482-L618 WeakPolarHBondContact O-CD2 3.29Å
483H93.7Very high93.9Very high17 Ų1734.1 Ų34.18%0.07917%0.172CC..  trans-156.131.7-159.371130.6000113.8H422 F538 Y539 P540 F541 L618H422-H483 AromaticContact CE1-CD2 3.91Å; H422-H483 AromaticContact CE1-NE2 3.84Å; H422-H483 AromaticContact CG-CD2 3.47Å; H422-H483 VanDerWaalsContact CG-CD2 3.47Å; H422-H483 AromaticContact ND1-CD2 3.2Å; H422-H483 PolarHBondContact ND1-CD2 2.95Å; H422-H483 AromaticContact ND1-CG 3.83Å; H483-F538 HydrophobicContact CB-CE1 4.4Å; H483-F538 HydrophobicContact CB-CE2 3.63Å; H483-F538 HydrophobicContact CB-CZ 3.34Å; H483-F538 AromaticContact CE1-CE2 3.76Å; H483-F538 AromaticContact CE1-CZ 3.8Å; H483-F538 AromaticContact CG-CE2 3.79Å; H483-F538 AromaticContact CG-CZ 3.96Å; H483-F538 AromaticContact ND1-CE2 3.89Å; H483-Y539 PolarHBondContact CE1-O 2.81Å; H483-Y539 PolarHBondContact ND1-O 2.99Å; H483-Y539 PolarHBondContact NE2-O 2.87Å; H483-P540 WeakPolarHBondContact CE1-CA 3.31Å; H483-F541 PolarHBondContact CE1-N 3.28Å; H483-F541 VanDerWaalsContact CE1-N 3.34Å; H483-F541 PolarHBondContact ND1-N 3.2Å; H483-F541 PolarHBondContact O-N 2.77Å; H483-F541 VanDerWaalsContact O-N 3.12Å; H483-L618 HydrophobicContact CB-CD2 4.41Å
484T92.5Very high94.5Very high2 Ų237.7 Ų37.71%0.01219%0.189CC..  trans-134.6165.7179.7-165.10000110.8V386 I405 F482 F541 I543V386-T484 HydrophobicContact CG1-CG2 4.13Å; I405-T484 HydrophobicContact CG2-CG2 3.67Å; F482-T484 HydrophobicContact CE1-CG2 3.87Å; F482-T484 WeakPolarHBondContact CE1-O 3.44Å; F482-T484 HydrophobicContact CE2-CG2 3.92Å; F482-T484 HydrophobicContact CZ-CG2 3.46Å; F482-T484 VanDerWaalsContact CZ-CG2 3.46Å; T484-F541 WeakPolarHBondContact CB-O 3.18Å; T484-F541 PolarHBondContact OG1-O 3.45Å; T484-I543 HydrophobicContact CG2-CD1 4.36Å; T484-I543 WeakPolarHBondContact OG1-CG1 3.16Å
485T91.9Very high94.7Very high18 Ų1843.1 Ų43.111%0.1121%0.213CC..  trans-147.8156.1176.8-162.80000111.5L581 L583T485-L581 HydrophobicContact CG2-CD2 4.03Å; T485-L583 HydrophobicContact CG2-CD1 4.03Å; T485-L583 HydrophobicContact CG2-CD2 3.78Å; T485-L583 HydrophobicContact CG2-CG 3.97Å
486Y90.7Very high94.8Very high26 Ų2640.4 Ų40.410%0.10220%0.201CC..  trans-155.8158.2170.965.8-88.6000109.9L369 G388 P389 K488 L489 H492 I543L369-Y486 VanDerWaalsContact C-OH 3.23Å; L369-Y486 HydrophobicContact CB-CD2 4.14Å; L369-Y486 HydrophobicContact CB-CE1 4.25Å; L369-Y486 HydrophobicContact CB-CE2 3.78Å; L369-Y486 HydrophobicContact CB-CG 4.49Å; L369-Y486 HydrophobicContact CD1-CD2 4.36Å; L369-Y486 HydrophobicContact CD1-CG 4.2Å; L369-Y486 HydrophobicContact CD2-CD1 4.36Å; L369-Y486 HydrophobicContact CD2-CE1 4.32Å; L369-Y486 WeakPolarHBondContact O-CE2 3.32Å; L369-Y486 VanDerWaalsContact O-CZ 3.29Å; L369-Y486 PolarHBondContact O-OH 3.03Å; G388-Y486 VanDerWaalsContact CA-OH 3.3Å; G388-Y486 WeakPolarHBondContact CA-OH 3.38Å; P389-Y486 WeakPolarHBondContact CD-OH 2.91Å; Y486-K488 VanDerWaalsContact C-N 3.26Å; Y486-K488 HydrophobicContact CD2-CB 4.48Å; Y486-K488 HydrophobicContact CE2-CB 4.24Å; Y486-K488 PolarHBondContact O-N 3.43Å; Y486-L489 HydrophobicContact CD1-CB 3.93Å; Y486-L489 HydrophobicContact CD1-CD1 4.47Å; Y486-L489 HydrophobicContact CD2-CB 4.48Å; Y486-L489 HydrophobicContact CE1-CB 3.9Å; Y486-L489 HydrophobicContact CE1-CD1 3.8Å; Y486-L489 HydrophobicContact CE1-CG 4.3Å; Y486-L489 HydrophobicContact CE2-CB 4.46Å; Y486-L489 HydrophobicContact CG-CB 4.24Å; Y486-L489 VanDerWaalsContact O-CB 3.28Å; Y486-L489 WeakPolarHBondContact O-CB 3.24Å; Y486-L489 PolarHBondContact O-N 3.01Å; Y486-H492 AromaticContact CE2-CE1 3.85Å; Y486-H492 AromaticContact CE2-ND1 3.53Å; Y486-H492 AromaticContact CZ-ND1 3.68Å; Y486-H492 PolarHBondContact OH-ND1 3.43Å; Y486-I543 HydrophobicContact CD1-CD1 4.07Å
487M87.4Confident95Very high125 Ų12538 Ų3862%0.61619%0.191SC*.THydrogen-bonded Turntrans-47-40-166-65.4-96.667.900115.8L581M487-L581 HydrophobicContact CE-CD1 4.13Å; M487-L581 HydrophobicContact CE-CD2 4.25Å; M487-L581 HydrophobicContact CE-CG 4.44Å; M487-L581 HydrophobicContact CG-CD1 3.74Å; M487-L581 HydrophobicContact SD-CD1 3.98Å
488K91.9Very high95Very high88 Ų8838.1 Ų38.138%0.38319%0.191SC..THydrogen-bonded Turntrans-100.29.6-176.6-63.8-172.4175.2-176.10114.5Y486 V490 D491 H492Y486-K488 VanDerWaalsContact C-N 3.26Å; Y486-K488 HydrophobicContact CD2-CB 4.48Å; Y486-K488 HydrophobicContact CE2-CB 4.24Å; Y486-K488 PolarHBondContact O-N 3.43Å; K488-V490 VanDerWaalsContact C-N 3.34Å; K488-V490 PolarHBondContact O-N 3.11Å; K488-D491 PolarHBondContact O-N 3.42Å; K488-H492 WeakPolarHBondContact O-CB 3.36Å; K488-H492 PolarHBondContact O-CD2 3.45Å; K488-H492 PolarHBondContact O-N 3.45Å; K488-H492 PolarHBondContact O-ND1 3.27Å
489L94.2Very high94.9Very high2 Ų235.4 Ų35.41%0.0118%0.177CC..Hα-helixtrans-60-42.3-173.2175.756.8000112.3P389 F482 Y486 H492 L493 P615P389-L489 HydrophobicContact CG-CD1 3.85Å; F482-L489 HydrophobicContact CE1-CD2 3.8Å; F482-L489 HydrophobicContact CZ-CD1 4.41Å; F482-L489 HydrophobicContact CZ-CD2 4.08Å; Y486-L489 HydrophobicContact CD1-CB 3.93Å; Y486-L489 HydrophobicContact CD1-CD1 4.47Å; Y486-L489 HydrophobicContact CD2-CB 4.48Å; Y486-L489 HydrophobicContact CE1-CB 3.9Å; Y486-L489 HydrophobicContact CE1-CD1 3.8Å; Y486-L489 HydrophobicContact CE1-CG 4.3Å; Y486-L489 HydrophobicContact CE2-CB 4.46Å; Y486-L489 HydrophobicContact CG-CB 4.24Å; Y486-L489 VanDerWaalsContact O-CB 3.28Å; Y486-L489 WeakPolarHBondContact O-CB 3.24Å; Y486-L489 PolarHBondContact O-N 3.01Å; L489-H492 PolarHBondContact O-N 2.75Å; L489-L493 HydrophobicContact CD1-CD1 4.04Å; L489-L493 HydrophobicContact CD1-CG 4.06Å; L489-L493 HydrophobicContact CG-CD1 4.03Å; L489-L493 WeakPolarHBondContact O-CB 3.37Å; L489-L493 VanDerWaalsContact O-CG 3.27Å; L489-L493 WeakPolarHBondContact O-CG 3.38Å; L489-L493 PolarHBondContact O-N 3.34Å; L489-P615 HydrophobicContact CD2-CG 3.65Å; L489-P615 HydrophobicContact CG-CG 4.25Å
490V94.2Very high94.6Very high74 Ų7437.4 Ų37.445%0.44819%0.19SC..Hα-helixtrans-65.2-47.7178.5-179.50000111.2K488 H492 L493 N494 P615K488-V490 VanDerWaalsContact C-N 3.34Å; K488-V490 PolarHBondContact O-N 3.11Å; V490-H492 VanDerWaalsContact C-N 3.28Å; V490-H492 PolarHBondContact O-N 3Å; V490-L493 PolarHBondContact O-N 2.88Å; V490-N494 PolarHBondContact O-N 3.24Å; V490-N494 PolarHBondContact O-ND2 3.35Å; V490-P615 HydrophobicContact CG2-CB 3.67Å; V490-P615 HydrophobicContact CG2-CG 4.49Å
491D95.7Very high94.4Very high100 Ų10043.4 Ų43.454%0.53522%0.217SC..Hα-helixtrans-56.8-44.2176.3-51.9-30.4000111.4K488 N494 K495K488-D491 PolarHBondContact O-N 3.42Å; D491-N494 PolarHBondContact O-N 3.44Å; D491-K495 WeakPolarHBondContact O-CB 3.4Å; D491-K495 PolarHBondContact O-N 2.94Å
492H96.6Very high94.3Very high21 Ų2143.4 Ų43.410%0.09722%0.217CC..Hα-helixtrans-68-41.8179.6-65.7170.1000112.2L369 P371 P389 Y486 K488 L489 V490 N494 K495 V496L369-H492 PolarHBondContact O-CE1 3.11Å; L369-H492 PolarHBondContact O-ND1 2.96Å; P371-H492 HydrophobicContact CB-CB 4.12Å; P371-H492 HydrophobicContact CG-CB 4.24Å; P389-H492 HydrophobicContact CB-CB 4.46Å; P389-H492 HydrophobicContact CG-CB 3.79Å; Y486-H492 AromaticContact CE2-CE1 3.85Å; Y486-H492 AromaticContact CE2-ND1 3.53Å; Y486-H492 AromaticContact CZ-ND1 3.68Å; Y486-H492 PolarHBondContact OH-ND1 3.43Å; K488-H492 WeakPolarHBondContact O-CB 3.36Å; K488-H492 PolarHBondContact O-CD2 3.45Å; K488-H492 PolarHBondContact O-N 3.45Å; K488-H492 PolarHBondContact O-ND1 3.27Å; L489-H492 PolarHBondContact O-N 2.75Å; V490-H492 VanDerWaalsContact C-N 3.28Å; V490-H492 PolarHBondContact O-N 3Å; H492-N494 VanDerWaalsContact C-N 3.34Å; H492-N494 PolarHBondContact O-N 3.15Å; H492-K495 PolarHBondContact O-N 3.42Å; H492-V496 WeakPolarHBondContact O-CG2 3.48Å; H492-V496 PolarHBondContact O-N 3.34Å; H492-V496 VanDerWaalsContact O-N 3.13Å
493L96.9Very high94.2Very high6 Ų644 Ų443%0.03122%0.22CC..Hα-helixtrans-59.8-44.5175.4-77.2166.3000111.4P389 A407 L489 V490 N497 L498 I616P389-L493 HydrophobicContact CB-CD2 4.12Å; P389-L493 HydrophobicContact CG-CB 4.49Å; P389-L493 HydrophobicContact CG-CD2 3.78Å; P389-L493 HydrophobicContact CG-CG 3.79Å; A407-L493 HydrophobicContact CB-CD2 3.84Å; L489-L493 HydrophobicContact CD1-CD1 4.04Å; L489-L493 HydrophobicContact CD1-CG 4.06Å; L489-L493 HydrophobicContact CG-CD1 4.03Å; L489-L493 WeakPolarHBondContact O-CB 3.37Å; L489-L493 VanDerWaalsContact O-CG 3.27Å; L489-L493 WeakPolarHBondContact O-CG 3.38Å; L489-L493 PolarHBondContact O-N 3.34Å; V490-L493 PolarHBondContact O-N 2.88Å; L493-N497 PolarHBondContact O-N 3.5Å; L493-L498 HydrophobicContact CD2-CB 4.06Å; L493-L498 HydrophobicContact CD2-CD1 4.24Å; L493-L498 PolarHBondContact O-N 3.21Å; L493-I616 HydrophobicContact CD1-CD1 4.05Å; L493-I616 HydrophobicContact CD1-CG1 4.16Å; L493-I616 HydrophobicContact CD2-CD1 4.38Å
494N96.4Very high94.3Very high83 Ų8344.6 Ų44.644%0.44422%0.222SC..Hα-helixtrans-63-46.2175.1-73.8-29.5000111.2V490 D491 H492 V496 N497V490-N494 PolarHBondContact O-N 3.24Å; V490-N494 PolarHBondContact O-ND2 3.35Å; D491-N494 PolarHBondContact O-N 3.44Å; H492-N494 VanDerWaalsContact C-N 3.34Å; H492-N494 PolarHBondContact O-N 3.15Å; N494-V496 VanDerWaalsContact C-N 3.32Å; N494-V496 PolarHBondContact O-N 3.36Å; N494-N497 PolarHBondContact O-N 3.44Å
495K95.1Very high94.5Very high117 Ų11745.2 Ų45.251%0.50922%0.224SC..Hα-helixtrans-57.9-38-180-170.7177.3-176.8-175.70113.6D352 P371 D491 H492 N497D352-K495 IonicContact OD1-NZ 3.39Å; D352-K495 PolarHBondContact OD1-NZ 3.34Å; D352-K495 IonicContact OD2-NZ 3.54Å; D352-K495 PolarHBondContact OD2-NZ 3.25Å; P371-K495 HydrophobicContact CG-CD 4.11Å; D491-K495 WeakPolarHBondContact O-CB 3.4Å; D491-K495 PolarHBondContact O-N 2.94Å; H492-K495 PolarHBondContact O-N 3.42Å; K495-N497 VanDerWaalsContact C-N 3.35Å
496V95.3Very high94.7Very high9 Ų946.4 Ų46.46%0.05523%0.229CC..THydrogen-bonded Turntrans-91.88.2176.7-61.90000114.2P371 P389 E391 R409 H492 N494 L498P371-V496 HydrophobicContact CB-CG1 3.65Å; P389-V496 HydrophobicContact CB-CG2 3.47Å; P389-V496 VanDerWaalsContact CB-CG2 3.47Å; E391-V496 HydrophobicContact CB-CB 3.82Å; E391-V496 HydrophobicContact CB-CG1 3.92Å; E391-V496 HydrophobicContact CG-CB 4.23Å; R409-V496 PolarHBondContact NH2-O 3.19Å; R409-V496 VanDerWaalsContact NH2-O 3.16Å; H492-V496 WeakPolarHBondContact O-CG2 3.48Å; H492-V496 PolarHBondContact O-N 3.34Å; H492-V496 VanDerWaalsContact O-N 3.13Å; N494-V496 VanDerWaalsContact C-N 3.32Å; N494-V496 PolarHBondContact O-N 3.36Å; V496-L498 VanDerWaalsContact C-N 3.28Å; V496-L498 HydrophobicContact CG2-CB 4.34Å; V496-L498 HydrophobicContact CG2-CD1 3.8Å; V496-L498 HydrophobicContact CG2-CG 3.63Å; V496-L498 PolarHBondContact O-N 2.83Å
497N96.7Very high94.9Very high44 Ų4451.9 Ų51.924%0.23525%0.25CC..THydrogen-bonded Turntrans54.738-179.4-71.2-85.1000113.9E89 K92 R409 L493 N494 K495E89-N497 WeakPolarHBondContact CA-OD1 3.44Å; K92-N497 WeakPolarHBondContact CB-O 3.49Å; K92-N497 WeakPolarHBondContact CG-O 3.45Å; R409-N497 PolarHBondContact NH2-O 2.87Å; L493-N497 PolarHBondContact O-N 3.5Å; N494-N497 PolarHBondContact O-N 3.44Å; K495-N497 VanDerWaalsContact C-N 3.35Å
498L97Very high95.3Very high1 Ų146.3 Ų46.31%0.00522%0.223CC..  trans-87.5145.1169.1-60.8-179.8000109.7K92 P389 A407 R409 Q426 L493 V496K92-L498 WeakPolarHBondContact CE-O 3.16Å; P389-L498 HydrophobicContact CB-CD1 4.17Å; A407-L498 HydrophobicContact CB-CD1 4.28Å; R409-L498 HydrophobicContact CB-CD2 3.79Å; Q426-L498 HydrophobicContact CG-CD2 3.61Å; L493-L498 HydrophobicContact CD2-CB 4.06Å; L493-L498 HydrophobicContact CD2-CD1 4.24Å; L493-L498 PolarHBondContact O-N 3.21Å; V496-L498 VanDerWaalsContact C-N 3.28Å; V496-L498 HydrophobicContact CG2-CB 4.34Å; V496-L498 HydrophobicContact CG2-CD1 3.8Å; V496-L498 HydrophobicContact CG2-CG 3.63Å; V496-L498 PolarHBondContact O-N 2.83Å
499S95.4Very high95.4Very high3 Ų342.7 Ų42.72%0.02121%0.208CC..  trans-87.9132.6169.1-171.10000110.7E96 Q426 K501E96-S499 VanDerWaalsContact CG-OG 3.26Å; E96-S499 WeakPolarHBondContact CG-OG 3.39Å; E96-S499 WeakPolarHBondContact OE1-CB 3.38Å; E96-S499 PolarHBondContact OE1-OG 2.92Å; Q426-S499 PolarHBondContact NE2-O 2.92Å; Q426-S499 VanDerWaalsContact OE1-CB 3.28Å; S499-K501 PolarHBondContact O-N 3.15Å; S499-K501 PolarHBondContact OG-N 3.42Å; S499-K501 VanDerWaalsContact OG-N 3.14Å
500P93.8Very high95.3Very high42 Ų4244.2 Ų44.227%0.27322%0.216SC..SBendtrans-71.1-16.4167.130.6-34.2000112.4P615 I616 P617P500-P615 VanDerWaalsContact CB-O 3.24Å; P500-P615 WeakPolarHBondContact CB-O 3.43Å; P500-I616 HydrophobicContact CB-CG1 4.18Å; P500-P617 WeakPolarHBondContact O-CD 3.41Å
501K92.6Very high95Very high127 Ų12741.3 Ų41.355%0.55220%0.197SC*.SBendtrans-81.9-40.9-179.4-57.4176.8-164.5151.50112.6E96 F99 S499 N503E96-K501 IonicContact OE2-NZ 2.76Å; E96-K501 PolarHBondContact OE2-NZ 3.02Å; F99-K501 WeakPolarHBondContact CE1-O 3.37Å; S499-K501 PolarHBondContact O-N 3.15Å; S499-K501 PolarHBondContact OG-N 3.42Å; S499-K501 VanDerWaalsContact OG-N 3.14Å; K501-N503 PolarHBondContact O-N 3.27Å
502V95Very high94.1Very high1 Ų138 Ų381%0.00619%0.187CC..  trans-76.3118-176.8-175.20000109.6E96 F99 Q426 Y504E96-V502 HydrophobicContact CB-CG2 4.22Å; E96-V502 HydrophobicContact CG-CG2 3.63Å; F99-V502 HydrophobicContact CB-CB 4.38Å; F99-V502 HydrophobicContact CB-CG1 3.94Å; F99-V502 HydrophobicContact CB-CG2 3.94Å; F99-V502 HydrophobicContact CD1-CG2 4.42Å; F99-V502 HydrophobicContact CD2-CG1 3.91Å; F99-V502 HydrophobicContact CG-CB 4.27Å; F99-V502 HydrophobicContact CG-CG1 3.94Å; F99-V502 HydrophobicContact CG-CG2 4.23Å; Q426-V502 HydrophobicContact CB-CG1 4.38Å; Q426-V502 PolarHBondContact NE2-O 3.03Å; V502-Y504 HydrophobicContact CG1-CD2 3.8Å; V502-Y504 HydrophobicContact CG1-CE2 3.57Å
503N95Very high92.6Very high17 Ų1740.2 Ų40.29%0.09120%0.197CC..  trans-148.5105.1175.2-159.8-0.7000113.2F99 L423 A424 I425 K501 W505F99-N503 WeakPolarHBondContact CE2-O 3.48Å; L423-N503 PolarHBondContact O-ND2 3.49Å; L423-N503 PolarHBondContact O-OD1 2.71Å; A424-N503 WeakPolarHBondContact CA-OD1 3.48Å; I425-N503 PolarHBondContact N-OD1 2.68Å; I425-N503 WeakPolarHBondContact O-CA 3.45Å; K501-N503 PolarHBondContact O-N 3.27Å; N503-W505 WeakPolarHBondContact OD1-CB 3.28Å; N503-W505 PolarHBondContact OD1-N 3.09Å
504Y96.4Very high90.3Very high30 Ų3046.3 Ų46.312%0.11823%0.23CC..  trans-97.718.6179.7-70.1-84.4000114.1F99 I425 Q426 R428 P429 V502 D506 R507F99-Y504 HydrophobicContact CB-CE2 4.37Å; F99-Y504 HydrophobicContact CD2-CD1 4.4Å; F99-Y504 HydrophobicContact CD2-CD2 4.14Å; F99-Y504 AromaticContact CD2-CE1 3.99Å; F99-Y504 HydrophobicContact CD2-CE1 3.99Å; F99-Y504 AromaticContact CD2-CE2 3.72Å; F99-Y504 HydrophobicContact CD2-CE2 3.72Å; F99-Y504 HydrophobicContact CD2-CG 4.48Å; F99-Y504 AromaticContact CD2-CZ 3.64Å; I425-Y504 PolarHBondContact O-N 2.84Å; Q426-Y504 WeakPolarHBondContact O-CD2 3.37Å; Q426-Y504 VanDerWaalsContact O-CE2 3.25Å; Q426-Y504 WeakPolarHBondContact O-CE2 3.44Å; R428-Y504 HydrophobicContact CG-CD1 4.29Å; P429-Y504 WeakPolarHBondContact CD-O 3.37Å; V502-Y504 HydrophobicContact CG1-CD2 3.8Å; V502-Y504 HydrophobicContact CG1-CE2 3.57Å; Y504-D506 PolarHBondContact O-N 2.9Å; Y504-D506 VanDerWaalsContact O-N 3.08Å; Y504-R507 PolarHBondContact O-N 2.84Å
505W96.8Very high87.8Confident15 Ų1545.2 Ų45.26%0.05723%0.229CC..THydrogen-bonded Turntrans-54.2-28.5-175.270.8-78.3000114.2L423 I425 L479 P481 N503 L532 P619 Y622L423-W505 HydrophobicContact CB-CB 3.95Å; I425-W505 HydrophobicContact CG2-CB 4.08Å; I425-W505 VanDerWaalsContact CG2-N 3.33Å; L479-W505 HydrophobicContact CB-CE3 4.31Å; L479-W505 WeakPolarHBondContact O-CZ3 3.46Å; P481-W505 HydrophobicContact CB-CD2 4.3Å; P481-W505 HydrophobicContact CB-CZ2 4.4Å; P481-W505 HydrophobicContact CG-CZ2 4.39Å; N503-W505 WeakPolarHBondContact OD1-CB 3.28Å; N503-W505 PolarHBondContact OD1-N 3.09Å; W505-L532 HydrophobicContact CE3-CD2 4.49Å; W505-L532 HydrophobicContact CH2-CD1 4.49Å; W505-L532 HydrophobicContact CH2-CD2 4.3Å; W505-L532 HydrophobicContact CZ3-CD2 3.78Å; W505-P619 HydrophobicContact CZ2-CG 3.87Å; W505-Y622 AromaticContact CH2-CE2 3.58Å; W505-Y622 HydrophobicContact CH2-CE2 3.58Å; W505-Y622 AromaticContact CH2-CZ 3.8Å; W505-Y622 WeakPolarHBondContact CH2-OH 3.22Å; W505-Y622 AromaticContact CZ2-CE2 3.78Å; W505-Y622 HydrophobicContact CZ2-CE2 3.78Å
506D96.6Very high85Confident43 Ų4344.6 Ų44.623%0.2324%0.239CC..THydrogen-bonded Turntrans-80-14.5-177.765-37.3000113.9Y504 P508Y504-D506 PolarHBondContact O-N 2.9Å; Y504-D506 VanDerWaalsContact O-N 3.08Å; D506-P508 VanDerWaalsContact C-CD 3.41Å; D506-P508 VanDerWaalsContact O-CD 3.27Å; D506-P508 WeakPolarHBondContact O-CD 3.32Å
507R94.5Very high82.2Confident141 Ų14150.4 Ų50.453%0.53226%0.26SS..  trans-121.361.3-167.8-68.8161.4-154.9-159.44.1112.5R428 Y504R428-R507 WeakPolarHBondContact CB-O 3.41Å; R428-R507 HydrophobicContact CG-CB 4.32Å; R428-R507 WeakPolarHBondContact CG-O 3.5Å; R428-R507 PolarHBondContact NE-O 2.86Å; Y504-R507 PolarHBondContact O-N 2.84Å
508P95.2Very high79.4Confident8 Ų855 Ų555%0.05228%0.28CS..  trans-58.9155.7177.927.2-35.5000112.4R428 P429 L431 L479 D506 W530R428-P508 PolarHBondContact NH2-O 2.86Å; P429-P508 HydrophobicContact CB-CB 4.37Å; P429-P508 CarbonylContact O-C 3.53Å; P429-P508 WeakPolarHBondContact O-CA 3.43Å; P429-P508 WeakPolarHBondContact O-CB 3.42Å; L431-P508 HydrophobicContact CD1-CB 3.84Å; L431-P508 HydrophobicContact CD1-CG 4.35Å; L431-P508 HydrophobicContact CG-CB 4.01Å; L479-P508 HydrophobicContact CD1-CB 3.88Å; L479-P508 HydrophobicContact CD1-CG 3.63Å; D506-P508 VanDerWaalsContact C-CD 3.41Å; D506-P508 VanDerWaalsContact O-CD 3.27Å; D506-P508 WeakPolarHBondContact O-CD 3.32Å; P508-W530 HydrophobicContact CG-CD2 3.52Å; P508-W530 HydrophobicContact CG-CE3 3.73Å; P508-W530 HydrophobicContact CG-CG 4.2Å; P508-W530 HydrophobicContact CG-CH2 3.68Å; P508-W530 HydrophobicContact CG-CZ2 3.47Å; P508-W530 VanDerWaalsContact CG-CZ2 3.47Å; P508-W530 HydrophobicContact CG-CZ3 3.81Å
509F93.6Very high76.2Confident13 Ų1362.9 Ų62.96%0.05732%0.323CS..EExtended strand (participates in β ladder)trans-112.6121.3173.3174-114.3000109.1D71 L72 V75 R428 P429 I430 L431 L511D71-F509 HydrophobicContact CB-CD2 3.85Å; D71-F509 HydrophobicContact CB-CE2 3.45Å; D71-F509 VanDerWaalsContact CB-CE2 3.45Å; D71-F509 HydrophobicContact CB-CZ 4.16Å; L72-F509 HydrophobicContact CB-CZ 4.17Å; V75-F509 HydrophobicContact CB-CE1 4.38Å; V75-F509 HydrophobicContact CG1-CD1 4.43Å; V75-F509 HydrophobicContact CG1-CE1 4.31Å; V75-F509 HydrophobicContact CG2-CD1 3.89Å; V75-F509 HydrophobicContact CG2-CE1 4.09Å; V75-F509 HydrophobicContact CG2-CG 4.39Å; R428-F509 HydrophobicContact CB-CB 4.34Å; P429-F509 PolarHBondContact O-N 3.31Å; I430-F509 HydrophobicContact CG2-CD1 4.42Å; L431-F509 PolarHBondContact N-O 3.34Å; F509-L511 HydrophobicContact CD1-CB 4.36Å; F509-L511 HydrophobicContact CE1-CB 4.02Å; F509-L511 HydrophobicContact CE1-CD1 4.14Å
510L92.2Very high73.1Confident34 Ų3466.5 Ų66.518%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-85.7113.4178.3-57.9-171.8000109.7L431L431-L510 HydrophobicContact CB-CD2 3.81Å; L431-L510 HydrophobicContact CD1-CD2 3.91Å; L431-L510 HydrophobicContact CG-CD2 4.33Å; L431-L510 WeakPolarHBondContact O-CA 3.28Å
511L87.8Confident70.5Confident12 Ų1270.4 Ų70.46%0.06338%0.376CS..EExtended strand (participates in β ladder)trans-104.8117.7-178.6177.756.9000111F23 V25 L72 I430 L431 I432 Q433 F509F23-L511 HydrophobicContact CB-CD2 3.66Å; F23-L511 HydrophobicContact CD1-CD2 3.72Å; F23-L511 HydrophobicContact CD2-CD2 3.93Å; F23-L511 HydrophobicContact CE1-CD2 4.38Å; F23-L511 HydrophobicContact CG-CD2 3.47Å; F23-L511 VanDerWaalsContact CG-CD2 3.47Å; V25-L511 HydrophobicContact CG1-CG 4.35Å; V25-L511 HydrophobicContact CG2-CD2 4.31Å; V25-L511 HydrophobicContact CG2-CG 4.36Å; L72-L511 HydrophobicContact CD1-CD1 3.82Å; I430-L511 HydrophobicContact CG2-CB 4.03Å; I430-L511 HydrophobicContact CG2-CD2 4.13Å; L431-L511 PolarHBondContact O-N 3.34Å; I432-L511 WeakPolarHBondContact CA-O 3.38Å; I432-L511 HydrophobicContact CG1-CB 4.49Å; I432-L511 HydrophobicContact CG1-CD2 4.37Å; Q433-L511 PolarHBondContact N-O 2.68Å; F509-L511 HydrophobicContact CD1-CB 4.36Å; F509-L511 HydrophobicContact CE1-CB 4.02Å; F509-L511 HydrophobicContact CE1-CD1 4.14Å
512G76.2Confident67.7Low31 Ų3172.2 Ų72.232%0.3239%0.387SS..SBendtrans112.6-2.817500000115.4Q433Q433-G512 CarbonylContact O-C 3.53Å; Q433-G512 WeakPolarHBondContact O-CA 3.18Å
513Q65.9Low64.9Low68 Ų6876.2 Ų76.232%0.31841%0.405SS..SBendtrans-98.7130167.6-173.6174.348.700110.2S515Q513-S515 PolarHBondContact O-N 3.12Å
514D49Very low62.1Low133 Ų13383.7 Ų83.771%0.71144%0.444SS*.  trans-60.8118.9175.3-70.8-41.5000110.7S516D514-S516 PolarHBondContact O-N 2.87Å; D514-S516 VanDerWaalsContact O-N 3.09Å
515S43.6Very low59.4Low60 Ų6087.8 Ų87.842%0.4248%0.477SS..SBendtrans-70.1-6.4-173.8-43.50000114.1Q513 R517 Q518Q513-S515 PolarHBondContact O-N 3.12Å; S515-R517 PolarHBondContact O-N 2.75Å; S515-Q518 PolarHBondContact O-N 2.87Å
516S35.7Very low57.2Low105 Ų10592.4 Ų92.473%0.73450%0.495SS*.THydrogen-bonded Turntrans-6816.7-177.656.60000115.6D514D514-S516 PolarHBondContact O-N 2.87Å; D514-S516 VanDerWaalsContact O-N 3.09Å
517R36.3Very low55.4Low130 Ų13097 Ų9749%0.49152%0.524SS..THydrogen-bonded Turntrans-138.416.9-179.1-56.2-165.6-165.6-172.412.5114.7N438 S515 Q523N438-R517 PolarHBondContact OD1-NH2 3.01Å; N438-R517 VanDerWaalsContact OD1-NH2 3.12Å; S515-R517 PolarHBondContact O-N 2.75Å; R517-Q523 PolarHBondContact O-NE2 3.43Å
518Q38.6Very low54.6Low141 Ų14198 Ų9866%0.65953%0.528SS*.SBendtrans-85.2-27.7175.5-71.4-169.5-16.300113.4S515 S520S515-Q518 PolarHBondContact O-N 2.87Å; Q518-S520 PolarHBondContact O-N 3.29Å
519D30.6Very low54.4Low167 Ų16798.8 Ų98.889%0.89353%0.533SS*.SBendtrans-77.564.1172.8-67.3-42.5000112.3
520S30.4Very low54.4Low78 Ų78100.8 Ų100.855%0.54554%0.54SS..  trans-162.5110.6166.9-80.10000111.8Q518 Q522Q518-S520 PolarHBondContact O-N 3.29Å; S520-Q522 PolarHBondContact O-N 2.93Å
521S37.4Very low54.6Low125 Ų125102.3 Ų102.387%0.87455%0.549SS*.THydrogen-bonded Turntrans-70.927.3179.348.10000115
522Q35.2Very low55Low165 Ų165104.6 Ų104.677%0.77156%0.561SS**THydrogen-bonded Turntrans-128.26.4-169.6-64.4-172.3-5.500115S520 L524S520-Q522 PolarHBondContact O-N 2.93Å; Q522-L524 VanDerWaalsContact C-N 3.26Å; Q522-L524 PolarHBondContact O-N 2.84Å
523Q35.7Very low56Low85 Ų85104.2 Ų104.240%0.39755%0.551SS.*  trans-84.261.4174.8-74.617957.100112.7R517 S525R517-Q523 PolarHBondContact O-NE2 3.43Å; Q523-S525 PolarHBondContact O-N 3.09Å
524L36Very low57.5Low174 Ų174106.4 Ų106.491%0.91156%0.561SS**THydrogen-bonded Turntrans-70.5-6.7177.1-86.6152.8000114.8Q522Q522-L524 VanDerWaalsContact C-N 3.26Å; Q522-L524 PolarHBondContact O-N 2.84Å
525S40.7Very low59.7Low116 Ų116101.7 Ų101.781%0.81154%0.538SS*.THydrogen-bonded Turntrans-115.29.5-170.2580000115.3Q523Q523-S525 PolarHBondContact O-N 3.09Å
526R50.3Low62.1Low111 Ų111102.1 Ų102.142%0.41955%0.545SS..SBendtrans-109.6115.7175.6-79178.1169176.4-12110.9R528R526-R528 PolarHBondContact O-N 2.79Å
527V59.2Low64.9Low139 Ų139103.7 Ų103.784%0.84254%0.541SS*.  trans-54.3126.9169.7-179.10000108.8
528R77.6Confident67.6Low163 Ų16397.7 Ų97.762%0.61552%0.518SS*.  trans-70.7138.7173.8-69.6179.5170.2-174.5-2.6109.4R526 W530 D531R526-R528 PolarHBondContact O-N 2.79Å; R528-W530 WeakPolarHBondContact CB-O 3.34Å; R528-W530 PolarHBondContact O-N 2.76Å; R528-D531 WeakPolarHBondContact CD-OD1 3.3Å; R528-D531 IonicContact CZ-OD1 2.85Å; R528-D531 IonicContact NE-OD1 3.91Å; R528-D531 IonicContact NH1-OD1 3.72Å; R528-D531 PolarHBondContact NH1-OD1 2.81Å
529C89.6Confident70.2Confident24 Ų2495.7 Ų95.716%0.16251%0.505CS..SBendtrans-72.5-17.517442.90000113.3Q433 N474 E475 E476 I477Q433-C529 PolarHBondContact NE2-SG 3Å; N474-C529 WeakPolarHBondContact O-CB 3.34Å; E475-C529 CarbonylContact C-O 3.59Å; E476-C529 PolarHBondContact N-O 3.1Å; I477-C529 WeakPolarHBondContact CB-O 3.21Å; I477-C529 WeakPolarHBondContact CG1-O 3.43Å; I477-C529 PolarHBondContact N-O 3.47Å; I477-C529 VanDerWaalsContact N-O 3.09Å
530W94.2Very high73.1Confident56 Ų5688 Ų8821%0.21246%0.464CS..EExtended strand (participates in β ladder)trans-149.5154.3177.869.6-83000111L431 I477 L479 P508 R528 L532L431-W530 HydrophobicContact CD1-CB 3.68Å; L431-W530 VanDerWaalsContact CD1-CD1 3.49Å; L431-W530 HydrophobicContact CD1-CG 3.6Å; I477-W530 HydrophobicContact CB-CB 3.94Å; I477-W530 HydrophobicContact CG2-CB 4.41Å; I477-W530 CarbonylContact O-C 3.57Å; I477-W530 WeakPolarHBondContact O-CA 3.17Å; I477-W530 WeakPolarHBondContact O-CB 3.28Å; L479-W530 HydrophobicContact CD1-CE3 4.03Å; P508-W530 HydrophobicContact CG-CD2 3.52Å; P508-W530 HydrophobicContact CG-CE3 3.73Å; P508-W530 HydrophobicContact CG-CG 4.2Å; P508-W530 HydrophobicContact CG-CH2 3.68Å; P508-W530 HydrophobicContact CG-CZ2 3.47Å; P508-W530 VanDerWaalsContact CG-CZ2 3.47Å; P508-W530 HydrophobicContact CG-CZ3 3.81Å; R528-W530 WeakPolarHBondContact CB-O 3.34Å; R528-W530 PolarHBondContact O-N 2.76Å; W530-L532 HydrophobicContact CE3-CD2 4.34Å; W530-L532 HydrophobicContact CZ3-CD2 3.69Å; W530-L532 HydrophobicContact CZ3-CG 4.07Å
531D96.2Very high76Confident66 Ų6685.5 Ų85.535%0.35344%0.444SS..EExtended strand (participates in β ladder)trans-145.1171.3166.8-81.9-62.5000110.1I477 L478 L479 R528I477-D531 PolarHBondContact O-N 1.99Å; L478-D531 WeakPolarHBondContact CA-O 3.31Å; L478-D531 HydrophobicContact CD2-CB 4.45Å; L479-D531 PolarHBondContact N-O 2.77Å; R528-D531 WeakPolarHBondContact CD-OD1 3.3Å; R528-D531 IonicContact CZ-OD1 2.85Å; R528-D531 IonicContact NE-OD1 3.91Å; R528-D531 IonicContact NH1-OD1 3.72Å; R528-D531 PolarHBondContact NH1-OD1 2.81Å
532L97Very high78.5Confident60 Ų6082 Ų8231%0.31442%0.415SS..EExtended strand (participates in β ladder)trans-86.8137.1174.8-55.9-177.9000110.6L479 W505 W530 Q534L479-L532 HydrophobicContact CB-CD2 4.12Å; L479-L532 WeakPolarHBondContact O-CA 2.93Å; W505-L532 HydrophobicContact CE3-CD2 4.49Å; W505-L532 HydrophobicContact CH2-CD1 4.49Å; W505-L532 HydrophobicContact CH2-CD2 4.3Å; W505-L532 HydrophobicContact CZ3-CD2 3.78Å; W530-L532 HydrophobicContact CE3-CD2 4.34Å; W530-L532 HydrophobicContact CZ3-CD2 3.69Å; W530-L532 HydrophobicContact CZ3-CG 4.07Å; L532-Q534 PolarHBondContact O-N 3.45Å; L532-Q534 PolarHBondContact O-NE2 2.89Å
533L96.6Very high81Confident22 Ų2274.7 Ų74.712%0.11538%0.381CS..PPolyproline II helixtrans-60.3119.7171179.966.9000109.3L478 L479 A480 H537 F538 Y622L478-L533 HydrophobicContact CD1-CD1 4.4Å; L479-L533 PolarHBondContact O-N 3.34Å; A480-L533 HydrophobicContact CB-CB 3.87Å; A480-L533 HydrophobicContact CB-CD2 3.86Å; L533-H537 HydrophobicContact CD1-CB 4.02Å; L533-F538 HydrophobicContact CD2-CD2 4.33Å; L533-Y622 WeakPolarHBondContact O-CE1 3.18Å; L533-Y622 PolarHBondContact O-OH 3.23Å
534Q96.8Very high83Confident114 Ų11471.7 Ų71.753%0.53337%0.369SS..PPolyproline II helixtrans-59.3134.1-178.5-63.2-57.4-64.700111L532 A536 H537 F538L532-Q534 PolarHBondContact O-N 3.45Å; L532-Q534 PolarHBondContact O-NE2 2.89Å; Q534-A536 PolarHBondContact O-N 3.47Å; Q534-A536 VanDerWaalsContact O-N 3.15Å; Q534-H537 WeakPolarHBondContact O-CA 3.31Å; Q534-H537 PolarHBondContact O-N 3.3Å; Q534-F538 PolarHBondContact O-N 3.47Å
535P96.6Very high84.4Confident35 Ų3566.2 Ų66.223%0.22734%0.341CS..G310 helixtrans-53.5-36.7-178.8-29.936.1000114.3H537 F538 A621 Y622 A625P535-H537 PolarHBondContact O-N 2.93Å; P535-F538 VanDerWaalsContact O-CB 3.29Å; P535-F538 WeakPolarHBondContact O-CB 3.47Å; P535-F538 PolarHBondContact O-N 3.11Å; P535-A621 WeakPolarHBondContact CB-O 3.31Å; P535-A621 HydrophobicContact CG-CB 4.12Å; P535-Y622 HydrophobicContact CB-CD1 4.03Å; P535-Y622 HydrophobicContact CB-CE1 4.19Å; P535-Y622 HydrophobicContact CG-CD1 4.2Å; P535-Y622 HydrophobicContact CG-CE1 3.98Å; P535-Y622 HydrophobicContact CG-CE2 4.5Å; P535-A625 HydrophobicContact CB-CB 3.64Å; P535-A625 VanDerWaalsContact O-CB 3.31Å; P535-A625 WeakPolarHBondContact O-CB 3.26Å
536A93.9Very high85.3Confident69 Ų6965.5 Ų65.557%0.5733%0.327SS*.G310 helixtrans-62-21.9175.600000114.3Q534 R629Q534-A536 PolarHBondContact O-N 3.47Å; Q534-A536 VanDerWaalsContact O-N 3.15Å; A536-R629 PolarHBondContact O-NH2 2.8Å
537H93.7Very high85.4Confident138 Ų13863.3 Ų63.364%0.63932%0.323SS*.G310 helixtrans-96.3-3.3176.7-61.2170.8000113L533 Q534 P535L533-H537 HydrophobicContact CD1-CB 4.02Å; Q534-H537 WeakPolarHBondContact O-CA 3.31Å; Q534-H537 PolarHBondContact O-N 3.3Å; P535-H537 PolarHBondContact O-N 2.93Å
538F94.4Very high84.4Confident3 Ų361.2 Ų61.21%0.01332%0.315CS..  trans-79.6144.9178.6-179.8-97.4000111.6P481 H483 L533 Q534 P535 L618 Y622 L626 R629P481-F538 HydrophobicContact CG-CE2 3.8Å; P481-F538 HydrophobicContact CG-CZ 4.18Å; H483-F538 HydrophobicContact CB-CE1 4.4Å; H483-F538 HydrophobicContact CB-CE2 3.63Å; H483-F538 HydrophobicContact CB-CZ 3.34Å; H483-F538 AromaticContact CE1-CE2 3.76Å; H483-F538 AromaticContact CE1-CZ 3.8Å; H483-F538 AromaticContact CG-CE2 3.79Å; H483-F538 AromaticContact CG-CZ 3.96Å; H483-F538 AromaticContact ND1-CE2 3.89Å; L533-F538 HydrophobicContact CD2-CD2 4.33Å; Q534-F538 PolarHBondContact O-N 3.47Å; P535-F538 VanDerWaalsContact O-CB 3.29Å; P535-F538 WeakPolarHBondContact O-CB 3.47Å; P535-F538 PolarHBondContact O-N 3.11Å; F538-L618 HydrophobicContact CE1-CD1 3.7Å; F538-L618 HydrophobicContact CE1-CD2 4.43Å; F538-L618 HydrophobicContact CZ-CD1 3.78Å; F538-L618 HydrophobicContact CZ-CD2 3.72Å; F538-L618 HydrophobicContact CZ-CG 4.43Å; F538-Y622 HydrophobicContact CB-CD1 3.65Å; F538-Y622 HydrophobicContact CB-CE1 4.04Å; F538-Y622 AromaticContact CD1-CD1 3.92Å; F538-Y622 HydrophobicContact CD1-CD1 3.92Å; F538-Y622 AromaticContact CD2-CD1 3.74Å; F538-Y622 HydrophobicContact CD2-CD1 3.74Å; F538-Y622 HydrophobicContact CD2-CE1 4.1Å; F538-Y622 HydrophobicContact CE1-CD1 4.42Å; F538-Y622 HydrophobicContact CE2-CD1 4.27Å; F538-Y622 AromaticContact CG-CD1 3.53Å; F538-Y622 HydrophobicContact CG-CD1 3.53Å; F538-Y622 HydrophobicContact CG-CE1 4.17Å; F538-Y622 HydrophobicContact CG-CG 4.47Å; F538-L626 HydrophobicContact CD1-CD1 4.43Å; F538-L626 HydrophobicContact CD1-CD2 3.96Å; F538-L626 HydrophobicContact CD1-CG 4.1Å; F538-L626 HydrophobicContact CE1-CD1 3.97Å; F538-L626 HydrophobicContact CE1-CD2 4.25Å; F538-L626 HydrophobicContact CE1-CG 4.13Å; F538-R629 PolarHBondContact O-NE 2.86Å; F538-R629 PolarHBondContact O-NH2 2.87Å
539Y91.8Very high82.6Confident99 Ų9958.7 Ų58.739%0.38832%0.318SS..  trans-155.5140.4-177.3-167.4-86000109.4H483 S584 I588H483-Y539 PolarHBondContact CE1-O 2.81Å; H483-Y539 PolarHBondContact ND1-O 2.99Å; H483-Y539 PolarHBondContact NE2-O 2.87Å; Y539-S584 VanDerWaalsContact CE1-OG 3.3Å; Y539-S584 WeakPolarHBondContact CE1-OG 3.44Å; Y539-S584 WeakPolarHBondContact OH-CB 3.26Å; Y539-S584 PolarHBondContact OH-OG 2.84Å; Y539-I588 HydrophobicContact CD2-CD1 3.82Å; Y539-I588 HydrophobicContact CE1-CD1 4.46Å; Y539-I588 HydrophobicContact CE2-CD1 3.29Å
540P91.5Very high79.9Confident5 Ų568 Ų683%0.03235%0.35CS..  trans-67.1140.3-177.5-18.832.9000112.9H483 L583 L587 I588 L626H483-P540 WeakPolarHBondContact CE1-CA 3.31Å; P540-L583 HydrophobicContact CB-CB 3.68Å; P540-L583 HydrophobicContact CB-CD1 4.47Å; P540-L587 HydrophobicContact CB-CD1 4.26Å; P540-L587 HydrophobicContact CG-CB 4.37Å; P540-L587 HydrophobicContact CG-CD1 3.93Å; P540-I588 HydrophobicContact CG-CD1 4.24Å; P540-L626 HydrophobicContact CG-CD1 4.25Å; P540-L626 HydrophobicContact CG-CD2 4.05Å
541F91.7Very high77.1Confident27 Ų2769.9 Ų69.912%0.11838%0.377CS..  trans-93.8108.7179.3-168.6-84.2000111.5Y367 T384 V386 L403 I405 H483 T484 I543Y367-F541 AromaticContact CE1-CE1 3.77Å; Y367-F541 HydrophobicContact CE1-CE1 3.77Å; Y367-F541 AromaticContact CE1-CZ 3.81Å; Y367-F541 HydrophobicContact CE1-CZ 3.81Å; T384-F541 HydrophobicContact CG2-CE2 4.01Å; T384-F541 HydrophobicContact CG2-CZ 3.96Å; V386-F541 HydrophobicContact CG2-CD1 4.02Å; V386-F541 HydrophobicContact CG2-CE1 3.61Å; V386-F541 HydrophobicContact CG2-CZ 4.22Å; L403-F541 HydrophobicContact CD2-CE2 4.48Å; I405-F541 HydrophobicContact CD1-CB 3.68Å; I405-F541 HydrophobicContact CD1-CD1 3.87Å; I405-F541 HydrophobicContact CD1-CD2 3.55Å; I405-F541 HydrophobicContact CD1-CE1 4.44Å; I405-F541 HydrophobicContact CD1-CE2 4.15Å; I405-F541 HydrophobicContact CD1-CG 3.4Å; H483-F541 PolarHBondContact CE1-N 3.28Å; H483-F541 VanDerWaalsContact CE1-N 3.34Å; H483-F541 PolarHBondContact ND1-N 3.2Å; H483-F541 PolarHBondContact O-N 2.77Å; H483-F541 VanDerWaalsContact O-N 3.12Å; T484-F541 WeakPolarHBondContact CB-O 3.18Å; T484-F541 PolarHBondContact OG1-O 3.45Å; F541-I543 HydrophobicContact CD1-CG1 4.17Å; F541-I543 HydrophobicContact CE1-CG1 4.25Å
542N89.6Confident74.3Confident50 Ų5070.6 Ų70.627%0.26738%0.378SS..PPolyproline II helixtrans-77.3124.1168.8-72.31.6000109.9P544 D582 L583 S584N542-P544 WeakPolarHBondContact O-CD 3.27Å; N542-D582 PolarHBondContact ND2-OD1 3.37Å; N542-L583 PolarHBondContact OD1-N 2.77Å; N542-S584 PolarHBondContact ND2-OG 3.32Å; N542-S584 PolarHBondContact OD1-N 2.98Å; N542-S584 VanDerWaalsContact OD1-N 3.1Å
543I87.3Confident71.4Confident13 Ų1372.5 Ų72.57%0.06740%0.396CS..PPolyproline II helixtrans-77.2121174.9-64.1164.4000109.1Y367 L369 V386 T484 Y486 F541Y367-I543 HydrophobicContact CD1-CG2 4.04Å; Y367-I543 HydrophobicContact CG-CG2 4.29Å; L369-I543 HydrophobicContact CD1-CD1 4.32Å; L369-I543 HydrophobicContact CD1-CG2 4.09Å; L369-I543 HydrophobicContact CD2-CD1 4Å; V386-I543 HydrophobicContact CG1-CD1 4.02Å; V386-I543 HydrophobicContact CG1-CG1 4.32Å; T484-I543 HydrophobicContact CG2-CD1 4.36Å; T484-I543 WeakPolarHBondContact OG1-CG1 3.16Å; Y486-I543 HydrophobicContact CD1-CD1 4.07Å; F541-I543 HydrophobicContact CD1-CG1 4.17Å; F541-I543 HydrophobicContact CE1-CG1 4.25Å
544P77.8Confident68.4Low22 Ų2280 Ų8014%0.14343%0.433CS..SBendtrans-67.6149.4176.8-14.428.5000111.4Y367 N542 L677Y367-P544 HydrophobicContact CE1-CG 4.45Å; Y367-P544 HydrophobicContact CE2-CG 4.15Å; N542-P544 WeakPolarHBondContact O-CD 3.27Å; P544-L677 HydrophobicContact CB-CD1 3.69Å; P544-L677 HydrophobicContact CB-CD2 4Å; P544-L677 HydrophobicContact CG-CD1 4.23Å
545L66.3Low65.5Low59 Ų5979.8 Ų79.831%0.30944%0.436SS..SBendtrans57.182-175.6-51.6173.3000111L286 L547 L677 T681L286-L545 HydrophobicContact CD1-CD1 4.41Å; L545-L547 HydrophobicContact CB-CD2 4.48Å; L545-L547 WeakPolarHBondContact O-CG 3.39Å; L545-L547 PolarHBondContact O-N 2.98Å; L545-L677 HydrophobicContact CD1-CD2 3.79Å; L545-L677 HydrophobicContact CD2-CD2 4.38Å; L545-L677 HydrophobicContact CG-CD2 3.84Å; L545-T681 HydrophobicContact CD2-CG2 3.85Å
546L58.4Low62.7Low100 Ų10086.4 Ų86.452%0.52446%0.463SS..  trans-53.9105168.3-58.7-179000108.1S548 L581L546-S548 VanDerWaalsContact C-N 3.3Å; L546-S548 PolarHBondContact O-N 2.91Å; L546-L581 HydrophobicContact CD1-CB 4.11Å; L546-L581 HydrophobicContact CD1-CD1 4.14Å; L546-L581 HydrophobicContact CD2-CB 3.72Å; L546-L581 HydrophobicContact CD2-CD1 4.01Å; L546-L581 HydrophobicContact CD2-CG 4.49Å
547L52.6Low59.9Low65 Ų6590.4 Ų90.434%0.3448%0.475SS..  trans-71.785.2-166-70.3-178.7000110.8A345 S347 L369 L545 T549A345-L547 HydrophobicContact CB-CD2 4.11Å; S347-L547 VanDerWaalsContact N-CD1 3.32Å; L369-L547 HydrophobicContact CD1-CD1 4.07Å; L545-L547 HydrophobicContact CB-CD2 4.48Å; L545-L547 WeakPolarHBondContact O-CG 3.39Å; L545-L547 PolarHBondContact O-N 2.98Å; L547-T549 PolarHBondContact O-N 2.95Å
548S39.1Very low57Low96 Ų9689.7 Ų89.767%0.67148%0.483SS*.  trans-53.5122.4171.4-1740000109L546 R550L546-S548 VanDerWaalsContact C-N 3.3Å; L546-S548 PolarHBondContact O-N 2.91Å; S548-R550 PolarHBondContact O-N 3.26Å
549T38.7Very low54.3Low110 Ų11096.5 Ų96.568%0.67552%0.524SS*.G310 helixtrans-68.34.5-163.541.20000114.9L547 A551L547-T549 PolarHBondContact O-N 2.95Å; T549-A551 VanDerWaalsContact C-N 3.29Å; T549-A551 PolarHBondContact O-N 3.31Å
550R33.9Very low51.3Low220 Ų22095.2 Ų95.283%0.8354%0.54SS*.G310 helixtrans-77.5-5.9-175.3-137.8173.9-170.2170.73.3114.8S548S548-R550 PolarHBondContact O-N 3.26Å
551A35.3Very low48.6Very low94 Ų94103.2 Ų103.278%0.77758%0.577SS**G310 helixtrans-88.5-6.7-173.700000115.5T549T549-A551 VanDerWaalsContact C-N 3.29Å; T549-A551 PolarHBondContact O-N 3.31Å
552E38.3Very low45.6Very low81 Ų81109.5 Ų109.538%0.37961%0.612SS.*SBendtrans-102.4-2.6-173.3-60.4-148.967.500114.8S347 S348 M554S347-E552 PolarHBondContact OG-OE2 3.08Å; S348-E552 VanDerWaalsContact CA-OE1 3.24Å; S348-E552 WeakPolarHBondContact CA-OE1 3.18Å; S348-E552 PolarHBondContact OG-OE1 3.42Å; E552-M554 PolarHBondContact O-N 3.22Å
553S34.1Very low42.9Very low101 Ų101117.3 Ų117.371%0.70664%0.64SS**THydrogen-bonded Turntrans-81.732.7-170.567.90000115.7
554M34.2Very low40.1Very low180 Ų180123.7 Ų123.789%0.88768%0.68SS**THydrogen-bonded Turntrans-138.810.8-173.5-75-16869.600116.3E552E552-M554 PolarHBondContact O-N 3.22Å
555D35.6Very low37.9Very low109 Ų109134.2 Ų134.258%0.58372%0.716SS**  trans-121.226.5178.5-131.1-48.6000112.6R280R280-D555 IonicContact CZ-OD1 2.72Å; R280-D555 IonicContact CZ-OD2 3.49Å; R280-D555 IonicContact NH1-OD1 3.39Å; R280-D555 PolarHBondContact NH1-OD1 3.44Å; R280-D555 IonicContact NH1-OD2 3.04Å; R280-D555 VanDerWaalsContact NH2-CG 3.32Å; R280-D555 IonicContact NH2-OD1 2.82Å; R280-D555 PolarHBondContact NH2-OD1 2.91Å; R280-D555 IonicContact NH2-OD2 3.31Å; R280-D555 PolarHBondContact NH2-OD2 3.28Å
556H39.4Very low36.3Very low174 Ų174136.1 Ų136.181%0.80673%0.734SS**  trans-105.1108.7177.1-91.2-82.6000112.4
557N35.1Very low34.9Very low152 Ų152141 Ų14181%0.81376%0.755SS**  trans-71.8133.3159.4-82.6-7.8000109.7V559N557-V559 PolarHBondContact O-N 2.7Å
558P32.4Very low34Very low124 Ų124146.4 Ų146.481%0.80578%0.778SS**  trans-80.1118172.431.3-32000110.8
559V36.3Very low33.7Very low146 Ų146147.3 Ų147.389%0.88579%0.785SS**  trans-117.4116.5152.7179.20000104.7N557N557-V559 PolarHBondContact O-N 2.7Å
560G30.1Very low33.5Very low71 Ų71148.5 Ų148.573%0.73279%0.791SS**  trans-88.5138.8-162.100000114.1
561E34.4Very low33.3Very low173 Ų173143.3 Ų143.381%0.80879%0.786SS**  trans-134.5131.9156.1-98.6174.7-16300108Y563E561-Y563 PolarHBondContact O-N 2.76Å
562N28.2Very low33Very low160 Ų160146.6 Ų146.686%0.85679%0.791SS**  trans-86.9110.3-172.9-70.9-31.3000110.8
563Y34.2Very low32.6Very low213 Ų213146.3 Ų146.384%0.83581%0.809SS**  trans-127.6108161.6-81.3-79.2000110.7E561E561-Y563 PolarHBondContact O-N 2.76Å
564T28Very low32.3Very low148 Ų148146 Ų14691%0.90880%0.799SS**  trans-73.1123172.137.30000110.2
565R31.6Very low32.2Very low243 Ų243142.3 Ų142.392%0.91779%0.789SS**  trans-145.3144.5164.1-157.4167.4-173.7164.62.3111.6
566S32.1Very low32.3Very low98 Ų98144 Ų14469%0.68579%0.793SS**  trans-43.1140.9-171.4-40.80000116E568S566-E568 PolarHBondContact O-N 3.42Å
567E30.1Very low32.5Very low203 Ų203140 Ų14095%0.94978%0.781SS**  trans-73.8105.6158.9-63.5-176.8133.900109
568E32.1Very low32.9Very low179 Ų179135.4 Ų135.484%0.83677%0.765SS**PPolyproline II helixtrans-94.7139.8165-75.3-178.4169.100109.9S566S566-E568 PolarHBondContact O-N 3.42Å
569S33.9Very low33.9Very low115 Ų115134.7 Ų134.780%0.80475%0.754SS**PPolyproline II helixtrans-72134.5-16844.70000112.8P571S569-P571 WeakPolarHBondContact O-CD 3.49Å
570V33.5Very low35Very low135 Ų135130.1 Ų130.182%0.81873%0.728SS**PPolyproline II helixtrans-66.6119174.11800000109.3
571P30.3Very low37.3Very low110 Ų110127.6 Ų127.671%0.71470%0.698SS**PPolyproline II helixtrans-69.3143.1173.829.1-33.9000110.3S569 G573S569-P571 WeakPolarHBondContact O-CD 3.49Å; P571-G573 PolarHBondContact O-N 3.08Å
572N30Very low39.7Very low164 Ų164122.4 Ų122.488%0.87768%0.676SS**PPolyproline II helixtrans-52.8128.9-176.5-80.8-43.9000112.2N574N572-N574 PolarHBondContact O-N 2.9Å
573G29.3Very low42.5Very low75 Ų75114.8 Ų114.877%0.77364%0.635SS**  trans-63.5101.6-174.900000112.8P571 P575P571-G573 PolarHBondContact O-N 3.08Å; G573-P575 WeakPolarHBondContact O-CD 3.49Å
574N27.2Very low45.1Very low93 Ų93105.6 Ų105.650%0.49760%0.602SS.*  trans-67.8118.3179.2-170.5-2.4000110.2N572 Q576 T577N572-N574 PolarHBondContact O-N 2.9Å; N574-Q576 PolarHBondContact O-N 2.74Å; N574-T577 PolarHBondContact O-OG1 3.19Å
575P33.3Very low47.9Very low104 Ų10499.2 Ų99.268%0.67556%0.564SS**THydrogen-bonded Turntrans-66.9-4.4-168.324.9-35.4000115.4G573 T577G573-P575 WeakPolarHBondContact O-CD 3.49Å; P575-T577 VanDerWaalsContact C-N 3.3Å; P575-T577 PolarHBondContact O-N 2.78Å
576Q36.9Very low50.5Low143 Ų14388.6 Ų88.667%0.66853%0.527SS*.Hα-helixtrans-65.7-27.1179.1-63.3-179.7-8.500113.8N574 A578 N579N574-Q576 PolarHBondContact O-N 2.74Å; Q576-A578 PolarHBondContact O-N 3.18Å; Q576-N579 PolarHBondContact O-N 3.42Å
577T43.8Very low53.3Low90 Ų9084 Ų8455%0.55250%0.495SS*.Hα-helixtrans-68.5-29.5-174.153.90000114N574 P575N574-T577 PolarHBondContact O-OG1 3.19Å; P575-T577 VanDerWaalsContact C-N 3.3Å; P575-T577 PolarHBondContact O-N 2.78Å
578A44.3Very low56.1Low56 Ų5674.6 Ų74.646%0.46345%0.451SS..Hα-helixtrans-68.4-40.3179.400000112.4Q576 C580 L581Q576-A578 PolarHBondContact O-N 3.18Å; A578-C580 VanDerWaalsContact C-N 3.29Å; A578-C580 PolarHBondContact O-N 3.29Å; A578-L581 PolarHBondContact O-N 2.76Å
579N52.7Low58.7Low110 Ų11068.2 Ų68.259%0.58843%0.425SS*.Hα-helixtrans-65.8-30.3-176.5-72-5.9000113Q576 L581 D582 S586Q576-N579 PolarHBondContact O-N 3.42Å; N579-L581 PolarHBondContact O-N 3.1Å; N579-L581 VanDerWaalsContact O-N 3.14Å; N579-D582 PolarHBondContact O-N 3.29Å; N579-S586 PolarHBondContact O-OG 3.07Å; N579-S586 VanDerWaalsContact O-OG 3.11Å
580C59.7Low61Low50 Ų5067.8 Ų67.834%0.33841%0.413SS..THydrogen-bonded Turntrans-63.1-19.4-178.7-1680000113.6A578A578-C580 VanDerWaalsContact C-N 3.29Å; A578-C580 PolarHBondContact O-N 3.29Å
581L77.8Confident63.4Low17 Ų1761.4 Ų61.49%0.08938%0.375CS..THydrogen-bonded Turntrans-89.2-15.5-178-57.3177.9000113.5T485 M487 L546 A578 N579 L583T485-L581 HydrophobicContact CG2-CD2 4.03Å; M487-L581 HydrophobicContact CE-CD1 4.13Å; M487-L581 HydrophobicContact CE-CD2 4.25Å; M487-L581 HydrophobicContact CE-CG 4.44Å; M487-L581 HydrophobicContact CG-CD1 3.74Å; M487-L581 HydrophobicContact SD-CD1 3.98Å; L546-L581 HydrophobicContact CD1-CB 4.11Å; L546-L581 HydrophobicContact CD1-CD1 4.14Å; L546-L581 HydrophobicContact CD2-CB 3.72Å; L546-L581 HydrophobicContact CD2-CD1 4.01Å; L546-L581 HydrophobicContact CD2-CG 4.49Å; A578-L581 PolarHBondContact O-N 2.76Å; N579-L581 PolarHBondContact O-N 3.1Å; N579-L581 VanDerWaalsContact O-N 3.14Å; L581-L583 PolarHBondContact O-N 3.17Å
582D84.6Confident65.6Low65 Ų6559.4 Ų59.435%0.34836%0.363SS..  trans-87.993.5164.3-170.1-20.7000108.8N542 N579 S584 A585 S586N542-D582 PolarHBondContact ND2-OD1 3.37Å; N579-D582 PolarHBondContact O-N 3.29Å; D582-S584 VanDerWaalsContact C-N 3.33Å; D582-S584 WeakPolarHBondContact OD1-CA 3.33Å; D582-S584 WeakPolarHBondContact OD1-CB 3.09Å; D582-S584 PolarHBondContact OD1-N 2.85Å; D582-A585 HydrophobicContact CB-CB 3.89Å; D582-A585 PolarHBondContact O-N 2.85Å; D582-A585 PolarHBondContact OD1-N 3.28Å; D582-S586 WeakPolarHBondContact O-CB 3.02Å; D582-S586 PolarHBondContact O-N 3.32Å; D582-S586 PolarHBondContact O-OG 2.9Å
583L88.5Confident68Low0 Ų060.2 Ų60.20%035%0.354CS..Hα-helixtrans-72-28.1178-65178.4000112.2T485 P540 N542 L581 L587 I613 L614T485-L583 HydrophobicContact CG2-CD1 4.03Å; T485-L583 HydrophobicContact CG2-CD2 3.78Å; T485-L583 HydrophobicContact CG2-CG 3.97Å; P540-L583 HydrophobicContact CB-CB 3.68Å; P540-L583 HydrophobicContact CB-CD1 4.47Å; N542-L583 PolarHBondContact OD1-N 2.77Å; L581-L583 PolarHBondContact O-N 3.17Å; L583-L587 HydrophobicContact CB-CD1 4.25Å; L583-L587 HydrophobicContact CD2-CD1 4.3Å; L583-L587 WeakPolarHBondContact O-CB 3.39Å; L583-L587 WeakPolarHBondContact O-CG 3.21Å; L583-L587 PolarHBondContact O-N 3.04Å; L583-I613 HydrophobicContact CD2-CG2 3.64Å; L583-L614 HydrophobicContact CD1-CD2 3.88Å; L583-L614 HydrophobicContact CD2-CD2 3.78Å; L583-L614 HydrophobicContact CG-CD2 4.47Å
584S87.1Confident70.4Confident19 Ų1958.1 Ų58.113%0.13332%0.323CS..Hα-helixtrans-64.3-46.4172.2-63.50000110.9Y539 N542 D582 I588 T589Y539-S584 VanDerWaalsContact CE1-OG 3.3Å; Y539-S584 WeakPolarHBondContact CE1-OG 3.44Å; Y539-S584 WeakPolarHBondContact OH-CB 3.26Å; Y539-S584 PolarHBondContact OH-OG 2.84Å; N542-S584 PolarHBondContact ND2-OG 3.32Å; N542-S584 PolarHBondContact OD1-N 2.98Å; N542-S584 VanDerWaalsContact OD1-N 3.1Å; D582-S584 VanDerWaalsContact C-N 3.33Å; D582-S584 WeakPolarHBondContact OD1-CA 3.33Å; D582-S584 WeakPolarHBondContact OD1-CB 3.09Å; D582-S584 PolarHBondContact OD1-N 2.85Å; S584-I588 WeakPolarHBondContact O-CA 3.45Å; S584-I588 VanDerWaalsContact O-CB 3.29Å; S584-I588 WeakPolarHBondContact O-CB 3.28Å; S584-I588 PolarHBondContact O-N 3.1Å; S584-I588 VanDerWaalsContact O-N 3.07Å; S584-T589 PolarHBondContact O-N 2.66Å
585A86.5Confident72.6Confident15 Ų1555.5 Ų55.512%0.12431%0.307CS..Hα-helixtrans-66-48.9175.600000111.2D582 T589 N590D582-A585 HydrophobicContact CB-CB 3.89Å; D582-A585 PolarHBondContact O-N 2.85Å; D582-A585 PolarHBondContact OD1-N 3.28Å; A585-T589 WeakPolarHBondContact CA-OG1 3.49Å; A585-T589 PolarHBondContact O-N 2.8Å; A585-N590 WeakPolarHBondContact O-CB 3.37Å; A585-N590 PolarHBondContact O-N 3.26Å
586S87Confident74.2Confident20 Ų2052.8 Ų52.814%0.1430%0.298CS..Hα-helixtrans-67.4-39.5-174.4-63.90000114.2N579 D582N579-S586 PolarHBondContact O-OG 3.07Å; N579-S586 VanDerWaalsContact O-OG 3.11Å; D582-S586 WeakPolarHBondContact O-CB 3.02Å; D582-S586 PolarHBondContact O-N 3.32Å; D582-S586 PolarHBondContact O-OG 2.9Å
587L90Very high75.3Confident1 Ų154 Ų541%0.00531%0.309CS..Hα-helixtrans-100.5-13.4-174.5-56174.7000113.8P540 L583 T591 Y606 M609 A610 I613 L614 L626P540-L587 HydrophobicContact CB-CD1 4.26Å; P540-L587 HydrophobicContact CG-CB 4.37Å; P540-L587 HydrophobicContact CG-CD1 3.93Å; L583-L587 HydrophobicContact CB-CD1 4.25Å; L583-L587 HydrophobicContact CD2-CD1 4.3Å; L583-L587 WeakPolarHBondContact O-CB 3.39Å; L583-L587 WeakPolarHBondContact O-CG 3.21Å; L583-L587 PolarHBondContact O-N 3.04Å; L587-T591 VanDerWaalsContact C-CG2 3.42Å; L587-T591 WeakPolarHBondContact O-CG2 3.38Å; L587-Y606 PolarHBondContact O-OH 3.42Å; L587-M609 HydrophobicContact CD2-CE 4.44Å; L587-M609 HydrophobicContact CD2-SD 3.96Å; L587-A610 HydrophobicContact CD2-CB 3.94Å; L587-I613 HydrophobicContact CD2-CB 4.43Å; L587-I613 HydrophobicContact CD2-CG2 4.38Å; L587-L614 HydrophobicContact CD1-CD1 3.92Å; L587-L614 HydrophobicContact CD1-CD2 4.09Å; L587-L614 HydrophobicContact CD1-CG 4.11Å; L587-L626 HydrophobicContact CD1-CD1 4.35Å
588I89.6Confident76.2Confident5 Ų553.4 Ų53.43%0.02631%0.308CS..THydrogen-bonded Turntrans-125.7-61.3-177.1-53.6171.2000112.1Y539 P540 S584 T591 R629 A630Y539-I588 HydrophobicContact CD2-CD1 3.82Å; Y539-I588 HydrophobicContact CE1-CD1 4.46Å; Y539-I588 HydrophobicContact CE2-CD1 3.29Å; P540-I588 HydrophobicContact CG-CD1 4.24Å; S584-I588 WeakPolarHBondContact O-CA 3.45Å; S584-I588 VanDerWaalsContact O-CB 3.29Å; S584-I588 WeakPolarHBondContact O-CB 3.28Å; S584-I588 PolarHBondContact O-N 3.1Å; S584-I588 VanDerWaalsContact O-N 3.07Å; I588-T591 WeakPolarHBondContact O-CG2 3.4Å; I588-T591 PolarHBondContact O-OG1 2.81Å; I588-R629 HydrophobicContact CG2-CG 4.36Å; I588-A630 HydrophobicContact CG2-CB 4.5Å
589T86.2Confident77.2Confident46 Ų4656.3 Ų56.328%0.28232%0.316SS..G310 helixtrans-82.5-41.9-167.472.60000114.4S584 A585 T591 Y633S584-T589 PolarHBondContact O-N 2.66Å; A585-T589 WeakPolarHBondContact CA-OG1 3.49Å; A585-T589 PolarHBondContact O-N 2.8Å; T589-T591 PolarHBondContact O-N 3.37Å; T589-T591 VanDerWaalsContact O-N 3.13Å; T589-Y633 HydrophobicContact CG2-CD1 4.22Å; T589-Y633 HydrophobicContact CG2-CE1 3.68Å; T589-Y633 HydrophobicContact CG2-CE2 4.05Å
590N83.7Confident78.1Confident106 Ų10659.3 Ų59.357%0.56733%0.327SS*.G310 helixtrans-88.232.8-176.3-66-21.8000112.8A585A585-N590 WeakPolarHBondContact O-CB 3.37Å; A585-N590 PolarHBondContact O-N 3.26Å
591T82.8Confident78.8Confident1 Ų166 Ų661%0.00635%0.345CS..G310 helixtrans-105.11.6-169.659.40000113.9L587 I588 T589 R593 Y594 Y606 M609 A630L587-T591 VanDerWaalsContact C-CG2 3.42Å; L587-T591 WeakPolarHBondContact O-CG2 3.38Å; I588-T591 WeakPolarHBondContact O-CG2 3.4Å; I588-T591 PolarHBondContact O-OG1 2.81Å; T589-T591 PolarHBondContact O-N 3.37Å; T589-T591 VanDerWaalsContact O-N 3.13Å; T591-R593 PolarHBondContact O-N 2.88Å; T591-Y594 WeakPolarHBondContact O-CB 3.46Å; T591-Y594 WeakPolarHBondContact O-CD2 3.5Å; T591-Y594 PolarHBondContact O-N 3.44Å; T591-Y606 HydrophobicContact CG2-CE2 4.12Å; T591-M609 HydrophobicContact CG2-CE 4.42Å; T591-A630 HydrophobicContact CG2-CB 4.35Å
592S77.6Confident78.8Confident68 Ų6867 Ų6748%0.47635%0.348SS..G310 helixtrans-48.8-33.7-172.754.70000115.3Y594 F595S592-Y594 PolarHBondContact O-N 3.41Å; S592-Y594 VanDerWaalsContact O-N 3.08Å; S592-F595 PolarHBondContact O-N 3.01Å; S592-F595 VanDerWaalsContact O-N 3.17Å
593R79.6Confident78.9Confident180 Ų18066.4 Ų66.468%0.67934%0.344SS*.G310 helixtrans-62.1-10.8175.670.8-175.1-176-138.5-0.2114.9T591T591-R593 PolarHBondContact O-N 2.88Å
594Y79.2Confident78.8Confident32 Ų3272.8 Ų72.813%0.12537%0.374CS..G310 helixtrans-10219.3177.3-55.8-70.1000113T591 S592 R602 N605 Y606 M609T591-Y594 WeakPolarHBondContact O-CB 3.46Å; T591-Y594 WeakPolarHBondContact O-CD2 3.5Å; T591-Y594 PolarHBondContact O-N 3.44Å; S592-Y594 PolarHBondContact O-N 3.41Å; S592-Y594 VanDerWaalsContact O-N 3.08Å; Y594-R602 WeakPolarHBondContact O-CB 3.44Å; Y594-R602 WeakPolarHBondContact O-CD 3.42Å; Y594-R602 WeakPolarHBondContact O-CG 3.46Å; Y594-N605 HydrophobicContact CD1-CB 3.94Å; Y594-N605 HydrophobicContact CE1-CB 3.96Å; Y594-Y606 HydrophobicContact CD2-CD2 4.36Å; Y594-Y606 HydrophobicContact CG-CD2 4.5Å; Y594-M609 HydrophobicContact CD2-CE 4.26Å; Y594-M609 HydrophobicContact CE1-CB 4.38Å; Y594-M609 HydrophobicContact CE2-CB 4.2Å; Y594-M609 HydrophobicContact CE2-CE 3.93Å; Y594-M609 HydrophobicContact CE2-CG 3.89Å; Y594-M609 WeakPolarHBondContact OH-CB 3.18Å; Y594-M609 WeakPolarHBondContact OH-CG 3.43Å
595F74.7Confident78.9Confident37 Ų3776.3 Ų76.316%0.16239%0.391CS..  trans-137161.5179.6-60-72.3000112.9S592 H627 A630 G631 H634S592-F595 PolarHBondContact O-N 3.01Å; S592-F595 VanDerWaalsContact O-N 3.17Å; F595-H627 AromaticContact CE1-CD2 3.81Å; F595-H627 AromaticContact CE1-NE2 3.48Å; F595-H627 WeakPolarHBondContact CE1-NE2 3.36Å; F595-H627 AromaticContact CZ-CD2 3.83Å; F595-H627 AromaticContact CZ-NE2 3.97Å; F595-A630 HydrophobicContact CE2-CB 4Å; F595-A630 HydrophobicContact CZ-CB 3.8Å; F595-G631 VanDerWaalsContact CE1-CA 3.46Å; F595-G631 VanDerWaalsContact CZ-N 3.28Å; F595-H634 HydrophobicContact CD2-CB 4.14Å
596G66.6Low79Confident47 Ų4775.6 Ų75.649%0.48539%0.385SS..SBendtrans140.7-137.5-175.100000112.5R602G596-R602 VanDerWaalsContact N-CZ 3.31Å; G596-R602 PolarHBondContact O-NH1 2.97Å
597D58.9Low79.2Confident170 Ų17076.7 Ų76.791%0.90939%0.389SS*.SBendtrans-91.5-11-170.7-50.8-28.1000121
598S62.6Low79.1Confident76 Ų7679.6 Ų79.653%0.53141%0.409SS..  trans-129.7112.3178.5560000113.9R602S598-R602 VanDerWaalsContact C-NH1 3.27Å; S598-R602 VanDerWaalsContact N-CZ 3.31Å; S598-R602 VanDerWaalsContact O-CD 3.24Å; S598-R602 WeakPolarHBondContact O-CD 3.33Å; S598-R602 PolarHBondContact O-NE 3.17Å; S598-R602 PolarHBondContact O-NH1 2.84Å
599D66.5Low79.2Confident118 Ų11879.9 Ų79.963%0.63141%0.411SS*.  trans-83.9-45.8-159.8-70.9-30000116.6R601 R602 L603D599-R601 PolarHBondContact O-N 3.05Å; D599-R602 WeakPolarHBondContact O-CB 3.45Å; D599-R602 PolarHBondContact O-N 3.14Å; D599-R602 IonicContact OD1-NH1 2.8Å; D599-R602 PolarHBondContact OD1-NH1 2.8Å; D599-L603 PolarHBondContact O-N 3.41Å
600E70.2Confident79.4Confident173 Ų17377.7 Ų77.781%0.80840%0.397SS*.Hα-helixtrans-58-51.3-168.7-65-175.7142.700113.3R602 L603 E604E600-R602 PolarHBondContact O-N 3.16Å; E600-L603 PolarHBondContact O-N 3Å; E600-L603 VanDerWaalsContact O-N 3.11Å; E600-E604 PolarHBondContact O-N 2.95Å
601R75.2Confident79.6Confident190 Ų19075.8 Ų75.872%0.71739%0.387SS*.Hα-helixtrans-60-18.4178.8-69.4-175.5178.4-178.3-0.6113.4D599 N605D599-R601 PolarHBondContact O-N 3.05Å; R601-N605 WeakPolarHBondContact O-CB 3.22Å; R601-N605 VanDerWaalsContact O-CG 3.29Å; R601-N605 PolarHBondContact O-N 2.61Å; R601-N605 PolarHBondContact O-ND2 2.92Å
602R78.6Confident79.8Confident38 Ų3882 Ų8214%0.14342%0.421CS..Hα-helixtrans-82.7-36.4177.3-74.1159.4-178.9150.18.2112.8Y594 G596 S598 D599 E600 E604 N605 Y606Y594-R602 WeakPolarHBondContact O-CB 3.44Å; Y594-R602 WeakPolarHBondContact O-CD 3.42Å; Y594-R602 WeakPolarHBondContact O-CG 3.46Å; G596-R602 VanDerWaalsContact N-CZ 3.31Å; G596-R602 PolarHBondContact O-NH1 2.97Å; S598-R602 VanDerWaalsContact C-NH1 3.27Å; S598-R602 VanDerWaalsContact N-CZ 3.31Å; S598-R602 VanDerWaalsContact O-CD 3.24Å; S598-R602 WeakPolarHBondContact O-CD 3.33Å; S598-R602 PolarHBondContact O-NE 3.17Å; S598-R602 PolarHBondContact O-NH1 2.84Å; D599-R602 WeakPolarHBondContact O-CB 3.45Å; D599-R602 PolarHBondContact O-N 3.14Å; D599-R602 IonicContact OD1-NH1 2.8Å; D599-R602 PolarHBondContact OD1-NH1 2.8Å; E600-R602 PolarHBondContact O-N 3.16Å; R602-E604 VanDerWaalsContact C-N 3.26Å; R602-E604 PolarHBondContact O-N 3.18Å; R602-N605 PolarHBondContact O-N 3.24Å; R602-Y606 WeakPolarHBondContact O-CB 3.38Å; R602-Y606 PolarHBondContact O-N 3.47Å
603L85.8Confident80.3Confident52 Ų5280.4 Ų80.427%0.27241%0.406SS..Hα-helixtrans-61-42.4174.7-178.158.8000109.9D599 E600 Y606 I607 I624 H627D599-L603 PolarHBondContact O-N 3.41Å; E600-L603 PolarHBondContact O-N 3Å; E600-L603 VanDerWaalsContact O-N 3.11Å; L603-Y606 PolarHBondContact O-N 3.42Å; L603-I607 HydrophobicContact CD1-CD1 3.88Å; L603-I607 HydrophobicContact CD1-CG1 4.22Å; L603-I607 HydrophobicContact CG-CD1 3.84Å; L603-I607 VanDerWaalsContact O-CB 3.3Å; L603-I607 WeakPolarHBondContact O-CB 3.24Å; L603-I607 WeakPolarHBondContact O-CD1 3.31Å; L603-I607 WeakPolarHBondContact O-CG1 3.44Å; L603-I607 PolarHBondContact O-N 3.35Å; L603-I624 HydrophobicContact CD1-CG1 4.04Å; L603-I624 HydrophobicContact CD2-CG1 4.2Å; L603-H627 HydrophobicContact CD1-CB 4.17Å
604E86.8Confident80.9Confident135 Ų13572.2 Ų72.263%0.63138%0.376SS*.Hα-helixtrans-60.7-50.3173.2-61.1-177.8135.300112.4E600 R602 Y606 I607 S608E600-E604 PolarHBondContact O-N 2.95Å; R602-E604 VanDerWaalsContact C-N 3.26Å; R602-E604 PolarHBondContact O-N 3.18Å; E604-Y606 VanDerWaalsContact C-N 3.33Å; E604-Y606 PolarHBondContact O-N 2.91Å; E604-I607 PolarHBondContact O-N 3.45Å; E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.18Å
605N88.2Confident81.4Confident92 Ų9272.5 Ų72.549%0.49238%0.381SS..Hα-helixtrans-64.6-34178.9-80.9-48.1000113.3Y594 R601 R602 M609Y594-N605 HydrophobicContact CD1-CB 3.94Å; Y594-N605 HydrophobicContact CE1-CB 3.96Å; R601-N605 WeakPolarHBondContact O-CB 3.22Å; R601-N605 VanDerWaalsContact O-CG 3.29Å; R601-N605 PolarHBondContact O-N 2.61Å; R601-N605 PolarHBondContact O-ND2 2.92Å; R602-N605 PolarHBondContact O-N 3.24Å; N605-M609 WeakPolarHBondContact O-CB 3.42Å; N605-M609 PolarHBondContact O-N 3.45Å
606Y89.9Confident82.3Confident0 Ų071 Ų710%038%0.375CS..Hα-helixtrans-71.5-43.8175.1178.1-86.2000111.3L587 T591 Y594 R602 L603 E604 S608 M609 A610 L626 H627 A630L587-Y606 PolarHBondContact O-OH 3.42Å; T591-Y606 HydrophobicContact CG2-CE2 4.12Å; Y594-Y606 HydrophobicContact CD2-CD2 4.36Å; Y594-Y606 HydrophobicContact CG-CD2 4.5Å; R602-Y606 WeakPolarHBondContact O-CB 3.38Å; R602-Y606 PolarHBondContact O-N 3.47Å; L603-Y606 PolarHBondContact O-N 3.42Å; E604-Y606 VanDerWaalsContact C-N 3.33Å; E604-Y606 PolarHBondContact O-N 2.91Å; Y606-S608 VanDerWaalsContact C-N 3.34Å; Y606-M609 HydrophobicContact CD2-CE 3.46Å; Y606-M609 VanDerWaalsContact CD2-CE 3.46Å; Y606-M609 HydrophobicContact CE2-CE 3.48Å; Y606-M609 VanDerWaalsContact CE2-CE 3.48Å; Y606-M609 HydrophobicContact CG-CE 4.12Å; Y606-M609 WeakPolarHBondContact O-CB 3.49Å; Y606-M609 PolarHBondContact O-N 3.39Å; Y606-A610 WeakPolarHBondContact O-CB 3.19Å; Y606-A610 PolarHBondContact O-N 3.06Å; Y606-L626 HydrophobicContact CE1-CB 4.4Å; Y606-L626 VanDerWaalsContact OH-CB 3.28Å; Y606-L626 WeakPolarHBondContact OH-CB 2.98Å; Y606-H627 HydrophobicContact CD1-CB 3.75Å; Y606-H627 AromaticContact CD2-CD2 3.89Å; Y606-H627 HydrophobicContact CE1-CB 3.75Å; Y606-H627 HydrophobicContact CG-CB 4.23Å; Y606-H627 AromaticContact CG-CD2 3.61Å; Y606-A630 HydrophobicContact CE2-CB 4.32Å
607I89.9Confident83.5Confident43 Ų4371.8 Ų71.822%0.22137%0.372CS..Hα-helixtrans-61.4-44174.5-74.5168.9000110.5L603 E604 A610 N611 L623L603-I607 HydrophobicContact CD1-CD1 3.88Å; L603-I607 HydrophobicContact CD1-CG1 4.22Å; L603-I607 HydrophobicContact CG-CD1 3.84Å; L603-I607 VanDerWaalsContact O-CB 3.3Å; L603-I607 WeakPolarHBondContact O-CB 3.24Å; L603-I607 WeakPolarHBondContact O-CD1 3.31Å; L603-I607 WeakPolarHBondContact O-CG1 3.44Å; L603-I607 PolarHBondContact O-N 3.35Å; E604-I607 PolarHBondContact O-N 3.45Å; I607-A610 PolarHBondContact O-N 3.09Å; I607-N611 WeakPolarHBondContact O-CB 3.3Å; I607-N611 VanDerWaalsContact O-CG 3.28Å; I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 2.79Å; I607-L623 HydrophobicContact CB-CD1 4.49Å; I607-L623 HydrophobicContact CG1-CB 4.14Å; I607-L623 HydrophobicContact CG1-CD1 4.09Å; I607-L623 HydrophobicContact CG2-CD1 4.07Å
608S89.1Confident85.2Confident62 Ų6264.3 Ų64.343%0.43433%0.332SS..Hα-helixtrans-58-48.5173.6-179.50000111.5E604 Y606 N611 N612E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.18Å; Y606-S608 VanDerWaalsContact C-N 3.34Å; S608-N611 PolarHBondContact O-N 2.74Å; S608-N612 VanDerWaalsContact O-CG 3.29Å; S608-N612 PolarHBondContact O-N 3.07Å; S608-N612 VanDerWaalsContact O-N 3.11Å; S608-N612 PolarHBondContact O-ND2 3.46Å
609M90.4Very high86.7Confident11 Ų1162.8 Ų62.85%0.05432%0.32CS..Hα-helixtrans-58.6-48.3174.7175.5-82.5-63.200112.7L587 T591 Y594 N605 Y606 N611 N612 I613L587-M609 HydrophobicContact CD2-CE 4.44Å; L587-M609 HydrophobicContact CD2-SD 3.96Å; T591-M609 HydrophobicContact CG2-CE 4.42Å; Y594-M609 HydrophobicContact CD2-CE 4.26Å; Y594-M609 HydrophobicContact CE1-CB 4.38Å; Y594-M609 HydrophobicContact CE2-CB 4.2Å; Y594-M609 HydrophobicContact CE2-CE 3.93Å; Y594-M609 HydrophobicContact CE2-CG 3.89Å; Y594-M609 WeakPolarHBondContact OH-CB 3.18Å; Y594-M609 WeakPolarHBondContact OH-CG 3.43Å; N605-M609 WeakPolarHBondContact O-CB 3.42Å; N605-M609 PolarHBondContact O-N 3.45Å; Y606-M609 HydrophobicContact CD2-CE 3.46Å; Y606-M609 VanDerWaalsContact CD2-CE 3.46Å; Y606-M609 HydrophobicContact CE2-CE 3.48Å; Y606-M609 VanDerWaalsContact CE2-CE 3.48Å; Y606-M609 HydrophobicContact CG-CE 4.12Å; Y606-M609 WeakPolarHBondContact O-CB 3.49Å; Y606-M609 PolarHBondContact O-N 3.39Å; M609-N611 PolarHBondContact O-N 2.75Å; M609-N612 PolarHBondContact O-N 2.83Å; M609-N612 VanDerWaalsContact O-N 3.15Å; M609-I613 HydrophobicContact CG-CD1 4.22Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 3.48Å; M609-I613 HydrophobicContact SD-CD1 3.62Å; M609-I613 HydrophobicContact SD-CG1 4.49Å
610A90.5Very high87.9Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-63.8-40.2-17800000112.1L587 Y606 I607 N612 I613 L614 L623L587-A610 HydrophobicContact CD2-CB 3.94Å; Y606-A610 WeakPolarHBondContact O-CB 3.19Å; Y606-A610 PolarHBondContact O-N 3.06Å; I607-A610 PolarHBondContact O-N 3.09Å; A610-N612 VanDerWaalsContact C-N 3.3Å; A610-N612 PolarHBondContact O-N 2.75Å; A610-I613 PolarHBondContact O-N 3.08Å; A610-L614 WeakPolarHBondContact O-CB 3.41Å; A610-L614 PolarHBondContact O-N 2.86Å; A610-L623 HydrophobicContact CB-CD2 3.65Å
611N87.6Confident89.1Confident66 Ų6655.3 Ų55.335%0.35330%0.299SS..Hα-helixtrans-69.1-24.5176-71.5-27.2000113.4I607 S608 M609I607-N611 WeakPolarHBondContact O-CB 3.3Å; I607-N611 VanDerWaalsContact O-CG 3.28Å; I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 2.79Å; S608-N611 PolarHBondContact O-N 2.74Å; M609-N611 PolarHBondContact O-N 2.75Å
612N87.9Confident90.1Very high133 Ų13346.8 Ų46.871%0.71127%0.267SS*.Hα-helixtrans-79.6-18.6173.1-71.4-37.4000113.2S608 M609 A610S608-N612 VanDerWaalsContact O-CG 3.29Å; S608-N612 PolarHBondContact O-N 3.07Å; S608-N612 VanDerWaalsContact O-N 3.11Å; S608-N612 PolarHBondContact O-ND2 3.46Å; M609-N612 PolarHBondContact O-N 2.83Å; M609-N612 VanDerWaalsContact O-N 3.15Å; A610-N612 VanDerWaalsContact C-N 3.3Å; A610-N612 PolarHBondContact O-N 2.75Å
613I88.9Confident90.8Very high34 Ų3445.1 Ų45.117%0.17426%0.261CS..Hα-helixtrans-99.6-35-178.9-65.8-177.4000111.7L583 L587 M609 A610 P615L583-I613 HydrophobicContact CD2-CG2 3.64Å; L587-I613 HydrophobicContact CD2-CB 4.43Å; L587-I613 HydrophobicContact CD2-CG2 4.38Å; M609-I613 HydrophobicContact CG-CD1 4.22Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 3.48Å; M609-I613 HydrophobicContact SD-CD1 3.62Å; M609-I613 HydrophobicContact SD-CG1 4.49Å; A610-I613 PolarHBondContact O-N 3.08Å; I613-P615 WeakPolarHBondContact O-CD 3.07Å
614L90.9Very high91.2Very high8 Ų845.6 Ų45.64%0.04226%0.263CS..  trans-94.1114179.8-65.3176.3000110.7L583 L587 A610 I616 L618L583-L614 HydrophobicContact CD1-CD2 3.88Å; L583-L614 HydrophobicContact CD2-CD2 3.78Å; L583-L614 HydrophobicContact CG-CD2 4.47Å; L587-L614 HydrophobicContact CD1-CD1 3.92Å; L587-L614 HydrophobicContact CD1-CD2 4.09Å; L587-L614 HydrophobicContact CD1-CG 4.11Å; A610-L614 WeakPolarHBondContact O-CB 3.41Å; A610-L614 PolarHBondContact O-N 2.86Å; L614-I616 PolarHBondContact O-N 2.98Å; L614-L618 HydrophobicContact CD1-CD1 3.42Å; L614-L618 VanDerWaalsContact CD1-CD1 3.42Å; L614-L618 HydrophobicContact CD1-CG 3.71Å
615P90.7Very high91.5Very high37 Ų3739.6 Ų39.624%0.2424%0.237CC..SBendtrans-70.7-3.4-178.429.7-35.8000113.9L489 V490 P500 I613L489-P615 HydrophobicContact CD2-CG 3.65Å; L489-P615 HydrophobicContact CG-CG 4.25Å; V490-P615 HydrophobicContact CG2-CB 3.67Å; V490-P615 HydrophobicContact CG2-CG 4.49Å; P500-P615 VanDerWaalsContact CB-O 3.24Å; P500-P615 WeakPolarHBondContact CB-O 3.43Å; I613-P615 WeakPolarHBondContact O-CD 3.07Å
616I93.5Very high91.8Very high6 Ų635.2 Ų35.23%0.03121%0.214CC..SBendtrans-129.7118.2170.2-55.2-172.3000105.9A407 A424 F482 L493 P500 L614A407-I616 HydrophobicContact CB-CD1 4.48Å; A424-I616 HydrophobicContact CB-CD1 3.43Å; A424-I616 VanDerWaalsContact CB-CD1 3.43Å; A424-I616 HydrophobicContact CB-CG2 4.08Å; F482-I616 HydrophobicContact CD1-CB 4.46Å; F482-I616 HydrophobicContact CD1-CD1 3.82Å; F482-I616 HydrophobicContact CD1-CG1 4.42Å; F482-I616 HydrophobicContact CE1-CD1 4.12Å; F482-I616 HydrophobicContact CG-CD1 4.37Å; L493-I616 HydrophobicContact CD1-CD1 4.05Å; L493-I616 HydrophobicContact CD1-CG1 4.16Å; L493-I616 HydrophobicContact CD2-CD1 4.38Å; P500-I616 HydrophobicContact CB-CG1 4.18Å; L614-I616 PolarHBondContact O-N 2.98Å
617P91.8Very high91.9Very high64 Ų6436.7 Ų36.742%0.41622%0.22SC..PPolyproline II helixtrans-69144.6-173.728.2-34.8000111.7P500P500-P617 WeakPolarHBondContact O-CD 3.41Å
618L93.7Very high92Very high12 Ų1240.6 Ų40.66%0.06324%0.237CC..PPolyproline II helixtrans-89.9147.3176.1-68.7177.4000111.4P481 F482 H483 F538 L614 L623 L626P481-L618 HydrophobicContact CB-CD2 3.86Å; P481-L618 HydrophobicContact CG-CD2 3.89Å; F482-L618 VanDerWaalsContact O-CD2 3.24Å; F482-L618 WeakPolarHBondContact O-CD2 3.29Å; H483-L618 HydrophobicContact CB-CD2 4.41Å; F538-L618 HydrophobicContact CE1-CD1 3.7Å; F538-L618 HydrophobicContact CE1-CD2 4.43Å; F538-L618 HydrophobicContact CZ-CD1 3.78Å; F538-L618 HydrophobicContact CZ-CD2 3.72Å; F538-L618 HydrophobicContact CZ-CG 4.43Å; L614-L618 HydrophobicContact CD1-CD1 3.42Å; L614-L618 VanDerWaalsContact CD1-CD1 3.42Å; L614-L618 HydrophobicContact CD1-CG 3.71Å; L618-L623 HydrophobicContact CB-CD1 4.43Å; L618-L623 HydrophobicContact CB-CD2 3.83Å; L618-L623 HydrophobicContact CB-CG 3.82Å; L618-L623 HydrophobicContact CD1-CD2 4Å; L618-L623 HydrophobicContact CG-CD2 4.44Å; L618-L623 WeakPolarHBondContact O-CD1 3.28Å; L618-L626 HydrophobicContact CD1-CD1 4.02Å
619P94.2Very high92.1Very high45 Ų4541.6 Ų41.629%0.29223%0.232SC..PPolyproline II helixtrans-64143.6172.1-12.425.2000111P481 W505 A621 Y622 L623P481-P619 HydrophobicContact CB-CG 4.38Å; P481-P619 HydrophobicContact CG-CG 4.48Å; W505-P619 HydrophobicContact CZ2-CG 3.87Å; P619-A621 VanDerWaalsContact C-N 3.25Å; P619-A621 PolarHBondContact O-N 3.13Å; P619-Y622 HydrophobicContact CB-CD2 4.02Å; P619-Y622 HydrophobicContact CG-CD2 3.87Å; P619-Y622 HydrophobicContact CG-CE2 4.29Å; P619-Y622 WeakPolarHBondContact O-CB 3.49Å; P619-Y622 PolarHBondContact O-N 3.11Å; P619-L623 PolarHBondContact O-N 3.14Å
620S93Very high92.2Very high79 Ų7941 Ų4155%0.55223%0.229SC*.Hα-helixtrans-53.6-35.6-169.8-44.20000114.6Y622 L623 I624S620-Y622 VanDerWaalsContact C-N 3.29Å; S620-Y622 PolarHBondContact O-N 2.85Å; S620-L623 PolarHBondContact O-N 3.35Å; S620-I624 WeakPolarHBondContact O-CB 3.25Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 VanDerWaalsContact O-CG1 3.26Å; S620-I624 WeakPolarHBondContact O-CG1 3.45Å; S620-I624 PolarHBondContact O-N 2.99Å
621A94.8Very high92.1Very high54 Ų5441.5 Ų41.545%0.44623%0.234SC..Hα-helixtrans-61.2-34.8176.700000113.3P535 P619 A625P535-A621 WeakPolarHBondContact CB-O 3.31Å; P535-A621 HydrophobicContact CG-CB 4.12Å; P619-A621 VanDerWaalsContact C-N 3.25Å; P619-A621 PolarHBondContact O-N 3.13Å; A621-A625 PolarHBondContact O-N 2.67Å; A621-A625 VanDerWaalsContact O-N 3.15Å
622Y95.9Very high92.2Very high12 Ų1241.3 Ų41.35%0.04724%0.242CC..Hα-helixtrans-76.5-35.8175.2-66.4-82.9000111.7P481 W505 L533 P535 F538 P619 S620 A625 L626P481-Y622 HydrophobicContact CG-CD1 4.25Å; P481-Y622 HydrophobicContact CG-CD2 3.85Å; P481-Y622 HydrophobicContact CG-CE1 4.39Å; P481-Y622 HydrophobicContact CG-CE2 4Å; P481-Y622 HydrophobicContact CG-CG 3.99Å; W505-Y622 AromaticContact CH2-CE2 3.58Å; W505-Y622 HydrophobicContact CH2-CE2 3.58Å; W505-Y622 AromaticContact CH2-CZ 3.8Å; W505-Y622 WeakPolarHBondContact CH2-OH 3.22Å; W505-Y622 AromaticContact CZ2-CE2 3.78Å; W505-Y622 HydrophobicContact CZ2-CE2 3.78Å; L533-Y622 WeakPolarHBondContact O-CE1 3.18Å; L533-Y622 PolarHBondContact O-OH 3.23Å; P535-Y622 HydrophobicContact CB-CD1 4.03Å; P535-Y622 HydrophobicContact CB-CE1 4.19Å; P535-Y622 HydrophobicContact CG-CD1 4.2Å; P535-Y622 HydrophobicContact CG-CE1 3.98Å; P535-Y622 HydrophobicContact CG-CE2 4.5Å; F538-Y622 HydrophobicContact CB-CD1 3.65Å; F538-Y622 HydrophobicContact CB-CE1 4.04Å; F538-Y622 AromaticContact CD1-CD1 3.92Å; F538-Y622 HydrophobicContact CD1-CD1 3.92Å; F538-Y622 AromaticContact CD2-CD1 3.74Å; F538-Y622 HydrophobicContact CD2-CD1 3.74Å; F538-Y622 HydrophobicContact CD2-CE1 4.1Å; F538-Y622 HydrophobicContact CE1-CD1 4.42Å; F538-Y622 HydrophobicContact CE2-CD1 4.27Å; F538-Y622 AromaticContact CG-CD1 3.53Å; F538-Y622 HydrophobicContact CG-CD1 3.53Å; F538-Y622 HydrophobicContact CG-CE1 4.17Å; F538-Y622 HydrophobicContact CG-CG 4.47Å; P619-Y622 HydrophobicContact CB-CD2 4.02Å; P619-Y622 HydrophobicContact CG-CD2 3.87Å; P619-Y622 HydrophobicContact CG-CE2 4.29Å; P619-Y622 WeakPolarHBondContact O-CB 3.49Å; P619-Y622 PolarHBondContact O-N 3.11Å; S620-Y622 VanDerWaalsContact C-N 3.29Å; S620-Y622 PolarHBondContact O-N 2.85Å; Y622-A625 PolarHBondContact O-N 2.84Å; Y622-L626 WeakPolarHBondContact O-CG 3.39Å; Y622-L626 PolarHBondContact O-N 3.34Å
623L93.7Very high92.2Very high3 Ų340.7 Ų40.72%0.01623%0.23CC..Hα-helixtrans-65.4-40.7173.5-68.3175.4000112.2I607 A610 L618 P619 S620 L626 H627I607-L623 HydrophobicContact CB-CD1 4.49Å; I607-L623 HydrophobicContact CG1-CB 4.14Å; I607-L623 HydrophobicContact CG1-CD1 4.09Å; I607-L623 HydrophobicContact CG2-CD1 4.07Å; A610-L623 HydrophobicContact CB-CD2 3.65Å; L618-L623 HydrophobicContact CB-CD1 4.43Å; L618-L623 HydrophobicContact CB-CD2 3.83Å; L618-L623 HydrophobicContact CB-CG 3.82Å; L618-L623 HydrophobicContact CD1-CD2 4Å; L618-L623 HydrophobicContact CG-CD2 4.44Å; L618-L623 WeakPolarHBondContact O-CD1 3.28Å; P619-L623 PolarHBondContact O-N 3.14Å; S620-L623 PolarHBondContact O-N 3.35Å; L623-L626 PolarHBondContact O-N 3.32Å; L623-H627 WeakPolarHBondContact O-CB 3.33Å; L623-H627 PolarHBondContact O-N 3.46Å
624I93.4Very high92Very high61 Ų6141.7 Ų41.731%0.31323%0.234SC..Hα-helixtrans-62-47.7174.1-69161.7000110.2L603 S620 L626 H627 E628L603-I624 HydrophobicContact CD1-CG1 4.04Å; L603-I624 HydrophobicContact CD2-CG1 4.2Å; S620-I624 WeakPolarHBondContact O-CB 3.25Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 VanDerWaalsContact O-CG1 3.26Å; S620-I624 WeakPolarHBondContact O-CG1 3.45Å; S620-I624 PolarHBondContact O-N 2.99Å; I624-L626 VanDerWaalsContact C-N 3.3Å; I624-L626 PolarHBondContact O-N 3.19Å; I624-H627 WeakPolarHBondContact O-CB 3.22Å; I624-H627 PolarHBondContact O-N 2.99Å; I624-H627 VanDerWaalsContact O-N 3.09Å; I624-E628 HydrophobicContact CG2-CG 4.38Å; I624-E628 WeakPolarHBondContact O-CG 3.3Å; I624-E628 PolarHBondContact O-N 2.73Å
625A94.1Very high91.8Very high9 Ų946.7 Ų46.77%0.07426%0.255CS..Hα-helixtrans-64.1-31.6177.800000113.5P535 A621 Y622 R629P535-A625 HydrophobicContact CB-CB 3.64Å; P535-A625 VanDerWaalsContact O-CB 3.31Å; P535-A625 WeakPolarHBondContact O-CB 3.26Å; A621-A625 PolarHBondContact O-N 2.67Å; A621-A625 VanDerWaalsContact O-N 3.15Å; Y622-A625 PolarHBondContact O-N 2.84Å; A625-R629 VanDerWaalsContact O-CB 3.31Å; A625-R629 WeakPolarHBondContact O-CB 3.43Å; A625-R629 PolarHBondContact O-N 2.85Å; A625-R629 VanDerWaalsContact O-N 3.1Å
626L93.1Very high91.6Very high1 Ų151.5 Ų51.51%0.00527%0.269CS..Hα-helixtrans-70.3-40.7170.2-69.8-176000112.1F538 P540 L587 Y606 L618 Y622 L623 I624 R629 A630F538-L626 HydrophobicContact CD1-CD1 4.43Å; F538-L626 HydrophobicContact CD1-CD2 3.96Å; F538-L626 HydrophobicContact CD1-CG 4.1Å; F538-L626 HydrophobicContact CE1-CD1 3.97Å; F538-L626 HydrophobicContact CE1-CD2 4.25Å; F538-L626 HydrophobicContact CE1-CG 4.13Å; P540-L626 HydrophobicContact CG-CD1 4.25Å; P540-L626 HydrophobicContact CG-CD2 4.05Å; L587-L626 HydrophobicContact CD1-CD1 4.35Å; Y606-L626 HydrophobicContact CE1-CB 4.4Å; Y606-L626 VanDerWaalsContact OH-CB 3.28Å; Y606-L626 WeakPolarHBondContact OH-CB 2.98Å; L618-L626 HydrophobicContact CD1-CD1 4.02Å; Y622-L626 WeakPolarHBondContact O-CG 3.39Å; Y622-L626 PolarHBondContact O-N 3.34Å; L623-L626 PolarHBondContact O-N 3.32Å; I624-L626 VanDerWaalsContact C-N 3.3Å; I624-L626 PolarHBondContact O-N 3.19Å; L626-R629 PolarHBondContact O-N 2.88Å; L626-A630 VanDerWaalsContact O-CB 3.32Å; L626-A630 WeakPolarHBondContact O-CB 3.26Å; L626-A630 PolarHBondContact O-N 2.81Å
627H92.4Very high91.2Very high30 Ų3053.9 Ų53.914%0.13929%0.285CS..Hα-helixtrans-62.3-44.3175.4177.4-106.5000112F595 L603 Y606 L623 I624 A630 G631F595-H627 AromaticContact CE1-CD2 3.81Å; F595-H627 AromaticContact CE1-NE2 3.48Å; F595-H627 WeakPolarHBondContact CE1-NE2 3.36Å; F595-H627 AromaticContact CZ-CD2 3.83Å; F595-H627 AromaticContact CZ-NE2 3.97Å; L603-H627 HydrophobicContact CD1-CB 4.17Å; Y606-H627 HydrophobicContact CD1-CB 3.75Å; Y606-H627 AromaticContact CD2-CD2 3.89Å; Y606-H627 HydrophobicContact CE1-CB 3.75Å; Y606-H627 HydrophobicContact CG-CB 4.23Å; Y606-H627 AromaticContact CG-CD2 3.61Å; L623-H627 WeakPolarHBondContact O-CB 3.33Å; L623-H627 PolarHBondContact O-N 3.46Å; I624-H627 WeakPolarHBondContact O-CB 3.22Å; I624-H627 PolarHBondContact O-N 2.99Å; I624-H627 VanDerWaalsContact O-N 3.09Å; H627-A630 PolarHBondContact O-N 3.38Å; H627-G631 PolarHBondContact O-N 2.95Å
628E91.6Very high90.7Very high125 Ų12555.1 Ų55.158%0.58429%0.285SS*.Hα-helixtrans-60.1-45.2173.3-72171.9172.900111.7I624 G631 A632I624-E628 HydrophobicContact CG2-CG 4.38Å; I624-E628 WeakPolarHBondContact O-CG 3.3Å; I624-E628 PolarHBondContact O-N 2.73Å; E628-G631 PolarHBondContact O-N 3.06Å; E628-A632 WeakPolarHBondContact O-CB 3.38Å; E628-A632 PolarHBondContact O-N 3.38Å
629R92.5Very high90.3Very high83 Ų8360.2 Ų60.231%0.31331%0.308SS..Hα-helixtrans-62.5-41.9176.1-175.1-174-63.9-74.92.6112A536 F538 I588 A625 L626 A632 Y633A536-R629 PolarHBondContact O-NH2 2.8Å; F538-R629 PolarHBondContact O-NE 2.86Å; F538-R629 PolarHBondContact O-NH2 2.87Å; I588-R629 HydrophobicContact CG2-CG 4.36Å; A625-R629 VanDerWaalsContact O-CB 3.31Å; A625-R629 WeakPolarHBondContact O-CB 3.43Å; A625-R629 PolarHBondContact O-N 2.85Å; A625-R629 VanDerWaalsContact O-N 3.1Å; L626-R629 PolarHBondContact O-N 2.88Å; R629-A632 PolarHBondContact O-N 3.35Å; R629-Y633 WeakPolarHBondContact O-CB 3.29Å; R629-Y633 PolarHBondContact O-N 2.93Å
630A91.5Very high89.8Confident0 Ų060.3 Ų60.30%031%0.308CS..Hα-helixtrans-64.6-42.8175.400000111.6I588 T591 F595 Y606 L626 H627 Y633 H634I588-A630 HydrophobicContact CG2-CB 4.5Å; T591-A630 HydrophobicContact CG2-CB 4.35Å; F595-A630 HydrophobicContact CE2-CB 4Å; F595-A630 HydrophobicContact CZ-CB 3.8Å; Y606-A630 HydrophobicContact CE2-CB 4.32Å; L626-A630 VanDerWaalsContact O-CB 3.32Å; L626-A630 WeakPolarHBondContact O-CB 3.26Å; L626-A630 PolarHBondContact O-N 2.81Å; H627-A630 PolarHBondContact O-N 3.38Å; A630-Y633 PolarHBondContact O-N 3.32Å; A630-H634 WeakPolarHBondContact O-CB 3.35Å; A630-H634 PolarHBondContact O-N 3.03Å
631G89.9Confident89.3Confident9 Ų962.2 Ų62.29%0.09331%0.31CS..Hα-helixtrans-64.8-38.3174.900000113.1F595 H627 E628 H634 K635F595-G631 VanDerWaalsContact CE1-CA 3.46Å; F595-G631 VanDerWaalsContact CZ-N 3.28Å; H627-G631 PolarHBondContact O-N 2.95Å; E628-G631 PolarHBondContact O-N 3.06Å; G631-H634 PolarHBondContact O-N 3.15Å; G631-K635 WeakPolarHBondContact O-CB 3.47Å; G631-K635 VanDerWaalsContact O-CG 3.31Å; G631-K635 WeakPolarHBondContact O-CG 3.42Å; G631-K635 PolarHBondContact O-N 3.5Å
632A88.9Confident88.9Confident63 Ų6365.6 Ų65.652%0.52132%0.32SS..Hα-helixtrans-64.9-42.8172.800000111.9E628 R629 K635 W636E628-A632 WeakPolarHBondContact O-CB 3.38Å; E628-A632 PolarHBondContact O-N 3.38Å; R629-A632 PolarHBondContact O-N 3.35Å; A632-K635 PolarHBondContact O-N 3.36Å; A632-W636 PolarHBondContact O-N 3.09Å
633Y87.8Confident88.5Confident119 Ų11967.7 Ų67.747%0.46734%0.34SS..Hα-helixtrans-63.1-41174-177.3-92.4000112.1T589 R629 A630 K635 W636 P637T589-Y633 HydrophobicContact CG2-CD1 4.22Å; T589-Y633 HydrophobicContact CG2-CE1 3.68Å; T589-Y633 HydrophobicContact CG2-CE2 4.05Å; R629-Y633 WeakPolarHBondContact O-CB 3.29Å; R629-Y633 PolarHBondContact O-N 2.93Å; A630-Y633 PolarHBondContact O-N 3.32Å; Y633-K635 PolarHBondContact O-N 3.36Å; Y633-W636 WeakPolarHBondContact O-CB 3.15Å; Y633-W636 PolarHBondContact O-N 3.02Å; Y633-P637 WeakPolarHBondContact O-CD 3.5Å
634H85.6Confident88.1Confident55 Ų5578.4 Ų78.426%0.25538%0.38SS..Hα-helixtrans-64.9-38.2176.6-179.164.1000112.9F595 A630 G631F595-H634 HydrophobicContact CD2-CB 4.14Å; A630-H634 WeakPolarHBondContact O-CB 3.35Å; A630-H634 PolarHBondContact O-N 3.03Å; G631-H634 PolarHBondContact O-N 3.15Å
635K86.8Confident87.6Confident114 Ų11478.1 Ų78.150%0.49638%0.379SS..Hα-helixtrans-74.2-24.9176.3-70.7172.7-178.3178.70113.1G631 A632 Y633 Q638 H639G631-K635 WeakPolarHBondContact O-CB 3.47Å; G631-K635 VanDerWaalsContact O-CG 3.31Å; G631-K635 WeakPolarHBondContact O-CG 3.42Å; G631-K635 PolarHBondContact O-N 3.5Å; A632-K635 PolarHBondContact O-N 3.36Å; Y633-K635 PolarHBondContact O-N 3.36Å; K635-Q638 WeakPolarHBondContact O-CB 3.22Å; K635-Q638 PolarHBondContact O-N 2.93Å; K635-H639 PolarHBondContact O-CD2 3.29Å; K635-H639 PolarHBondContact O-N 3.31Å
636W85.8Confident87.2Confident137 Ų13781 Ų8152%0.51940%0.396SS..Hα-helixtrans-56.2-50.2-175.1172.8-102.5000114.4A632 Y633 Q638 H639 V640 F653A632-W636 PolarHBondContact O-N 3.09Å; Y633-W636 WeakPolarHBondContact O-CB 3.15Å; Y633-W636 PolarHBondContact O-N 3.02Å; W636-Q638 VanDerWaalsContact C-N 3.27Å; W636-Q638 PolarHBondContact O-N 3.33Å; W636-H639 PolarHBondContact O-N 3.18Å; W636-V640 HydrophobicContact CD2-CG2 4.36Å; W636-V640 HydrophobicContact CZ2-CG2 4.32Å; W636-V640 WeakPolarHBondContact O-CG2 3.36Å; W636-V640 PolarHBondContact O-N 3.47Å; W636-F653 HydrophobicContact CH2-CE2 4.38Å; W636-F653 AromaticContact CH2-CZ 3.8Å; W636-F653 HydrophobicContact CH2-CZ 3.8Å; W636-F653 HydrophobicContact CZ2-CE1 4.37Å; W636-F653 AromaticContact CZ2-CZ 3.64Å; W636-F653 HydrophobicContact CZ2-CZ 3.64Å
637P84.3Confident86.9Confident57 Ų5788.1 Ų88.137%0.3743%0.433SS..Hα-helixtrans-57.7-36.7173.3-26.334.7000113.7Y633 V640 M641Y633-P637 WeakPolarHBondContact O-CD 3.5Å; P637-V640 PolarHBondContact O-N 3.44Å; P637-M641 WeakPolarHBondContact O-CG 3.34Å; P637-M641 PolarHBondContact O-N 3.28Å
638Q82.1Confident86.6Confident90 Ų9092.6 Ų92.642%0.42146%0.458SS..Hα-helixtrans-67-42177.7-59176.2-700111.1K635 W636 M641 N642K635-Q638 WeakPolarHBondContact O-CB 3.22Å; K635-Q638 PolarHBondContact O-N 2.93Å; W636-Q638 VanDerWaalsContact C-N 3.27Å; W636-Q638 PolarHBondContact O-N 3.33Å; Q638-M641 PolarHBondContact O-N 2.95Å; Q638-N642 VanDerWaalsContact O-CB 3.23Å; Q638-N642 WeakPolarHBondContact O-CB 3.31Å; Q638-N642 PolarHBondContact O-N 3.47Å; Q638-N642 PolarHBondContact O-ND2 2.87Å
639H84.9Confident86.4Confident118 Ų11891.3 Ų91.355%0.54645%0.452SS..Hα-helixtrans-62-41.8173.9-70.8-62.1000112.4K635 W636 N642 A643K635-H639 PolarHBondContact O-CD2 3.29Å; K635-H639 PolarHBondContact O-N 3.31Å; W636-H639 PolarHBondContact O-N 3.18Å; H639-N642 PolarHBondContact O-N 3.48Å; H639-A643 PolarHBondContact O-N 3.37Å; H639-A643 VanDerWaalsContact O-N 3.08Å
640V84.5Confident86.1Confident47 Ų4790.4 Ų90.429%0.28546%0.458SS..Hα-helixtrans-64.7-43.1176.7175.30000111.7W636 P637 A643 F653W636-V640 HydrophobicContact CD2-CG2 4.36Å; W636-V640 HydrophobicContact CZ2-CG2 4.32Å; W636-V640 WeakPolarHBondContact O-CG2 3.36Å; W636-V640 PolarHBondContact O-N 3.47Å; P637-V640 PolarHBondContact O-N 3.44Å; V640-A643 PolarHBondContact O-N 3.04Å; V640-F653 HydrophobicContact CG1-CE1 4.42Å; V640-F653 HydrophobicContact CG2-CE1 4.11Å; V640-F653 HydrophobicContact CG2-CZ 4.19Å
641M82.5Confident86Confident120 Ų12097.1 Ų97.159%0.59149%0.489SS*.Hα-helixtrans-65.4-43.6175.3-70.2-174.8-63.500112.2P637 Q638 A643 R644P637-M641 WeakPolarHBondContact O-CG 3.34Å; P637-M641 PolarHBondContact O-N 3.28Å; Q638-M641 PolarHBondContact O-N 2.95Å; M641-A643 PolarHBondContact O-N 2.85Å; M641-R644 PolarHBondContact O-N 3.06Å
642N86.6Confident85.9Confident124 Ų124100 Ų10066%0.66351%0.507SS*.Hα-helixtrans-68-20.3-179.1-72.6-19.8000113.4Q638 H639 R644Q638-N642 VanDerWaalsContact O-CB 3.23Å; Q638-N642 WeakPolarHBondContact O-CB 3.31Å; Q638-N642 PolarHBondContact O-N 3.47Å; Q638-N642 PolarHBondContact O-ND2 2.87Å; H639-N642 PolarHBondContact O-N 3.48Å; N642-R644 PolarHBondContact O-N 3Å
643A87.3Confident86Confident57 Ų57100.7 Ų100.747%0.47150%0.499SS..THydrogen-bonded Turntrans-69.4-12.5174.800000114.1H639 V640 M641 L645H639-A643 PolarHBondContact O-N 3.37Å; H639-A643 VanDerWaalsContact O-N 3.08Å; V640-A643 PolarHBondContact O-N 3.04Å; M641-A643 PolarHBondContact O-N 2.85Å; A643-L645 HydrophobicContact CB-CD2 3.98Å; A643-L645 HydrophobicContact CB-CG 4Å; A643-L645 PolarHBondContact O-N 3.26Å; A643-L645 VanDerWaalsContact O-N 3.16Å
644R84.3Confident86Confident227 Ų22796.7 Ų96.786%0.85749%0.494SS*.THydrogen-bonded Turntrans49.839.7176.1-61.1-176.4178.5-166.2-0.2114.2M641 N642M641-R644 PolarHBondContact O-N 3.06Å; N642-R644 PolarHBondContact O-N 3Å
645L82.7Confident86.3Confident56 Ų5697.6 Ų97.629%0.29350%0.504SS..  trans-59.2140.4-177-58.4179.4000111.9A643 Q649 C650 F653A643-L645 HydrophobicContact CB-CD2 3.98Å; A643-L645 HydrophobicContact CB-CG 4Å; A643-L645 PolarHBondContact O-N 3.26Å; A643-L645 VanDerWaalsContact O-N 3.16Å; L645-Q649 HydrophobicContact CB-CB 3.95Å; L645-Q649 HydrophobicContact CD2-CB 4.23Å; L645-C650 VanDerWaalsContact CB-SG 3.57Å; L645-F653 HydrophobicContact CD1-CB 4.42Å; L645-F653 HydrophobicContact CD1-CD1 4.5Å; L645-F653 HydrophobicContact CD1-CG 4.43Å
646T86.5Confident86.6Confident70 Ų7095.6 Ų95.643%0.42950%0.501SS..  trans-68.6167.8168.571.60000111.3D648 Q649 C650T646-D648 VanDerWaalsContact C-N 3.29Å; T646-D648 PolarHBondContact O-N 3.02Å; T646-Q649 PolarHBondContact O-N 3.27Å; T646-Q649 VanDerWaalsContact O-N 3.16Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.45Å; T646-Q649 PolarHBondContact OG1-N 3.43Å; T646-C650 PolarHBondContact O-N 3.3Å; T646-C650 PolarHBondContact O-SG 3.45Å
647L85.5Confident86.8Confident149 Ų14992.2 Ų92.278%0.7850%0.495SS*.Hα-helixtrans-54.8-45.2177.2-165.977.7000112C650 H651L647-C650 WeakPolarHBondContact O-CB 3.4Å; L647-C650 PolarHBondContact O-N 3.48Å; L647-H651 PolarHBondContact O-N 3.26Å
648D86.3Confident87.1Confident125 Ų12592.1 Ų92.167%0.66849%0.491SS*.Hα-helixtrans-68.5-36.2179.8-44.6-57.5000112T646 H651 S652T646-D648 VanDerWaalsContact C-N 3.29Å; T646-D648 PolarHBondContact O-N 3.02Å; D648-H651 PolarHBondContact O-N 2.81Å; D648-S652 VanDerWaalsContact O-CB 3.3Å; D648-S652 WeakPolarHBondContact O-CB 3.41Å; D648-S652 PolarHBondContact O-N 3.04Å
649Q89.1Confident87.6Confident98 Ų9894 Ų9446%0.45850%0.5SS..Hα-helixtrans-68.1-40.4174.5-72.5172.3-14.900111.6L645 T646 S652 F653L645-Q649 HydrophobicContact CB-CB 3.95Å; L645-Q649 HydrophobicContact CD2-CB 4.23Å; T646-Q649 PolarHBondContact O-N 3.27Å; T646-Q649 VanDerWaalsContact O-N 3.16Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.45Å; T646-Q649 PolarHBondContact OG1-N 3.43Å; Q649-S652 PolarHBondContact O-N 3.31Å; Q649-F653 WeakPolarHBondContact O-CB 3.36Å; Q649-F653 PolarHBondContact O-N 2.97Å
650C85.9Confident87.9Confident63 Ų6397.2 Ų97.243%0.42651%0.508SS..Hα-helixtrans-60.1-44.3172-77.40000111.7L645 T646 L647 G654L645-C650 VanDerWaalsContact CB-SG 3.57Å; T646-C650 PolarHBondContact O-N 3.3Å; T646-C650 PolarHBondContact O-SG 3.45Å; L647-C650 WeakPolarHBondContact O-CB 3.4Å; L647-C650 PolarHBondContact O-N 3.48Å; C650-G654 PolarHBondContact O-N 3.4Å
651H87.9Confident88.2Confident142 Ų14298.9 Ų98.966%0.65751%0.511SS*.Hα-helixtrans-62.5-51.9176.2-176.2-81.5000111.5L647 D648 F653 G654 T655L647-H651 PolarHBondContact O-N 3.26Å; D648-H651 PolarHBondContact O-N 2.81Å; H651-F653 PolarHBondContact O-N 2.86Å; H651-G654 WeakPolarHBondContact O-CA 3.4Å; H651-G654 PolarHBondContact O-N 2.77Å; H651-G654 VanDerWaalsContact O-N 3.13Å; H651-T655 PolarHBondContact O-N 3.38Å; H651-T655 PolarHBondContact O-OG1 2.94Å; H651-T655 VanDerWaalsContact O-OG1 3.1Å
652S89.5Confident88.5Confident69 Ų6998.2 Ų98.248%0.48350%0.502SS..Hα-helixtrans-57.9-44.3178.2-177.70000112.5D648 Q649 G654 T655 V656D648-S652 VanDerWaalsContact O-CB 3.3Å; D648-S652 WeakPolarHBondContact O-CB 3.41Å; D648-S652 PolarHBondContact O-N 3.04Å; Q649-S652 PolarHBondContact O-N 3.31Å; S652-G654 PolarHBondContact O-N 3.26Å; S652-T655 WeakPolarHBondContact O-CB 3.28Å; S652-T655 PolarHBondContact O-N 3.22Å; S652-V656 WeakPolarHBondContact O-CG2 3.37Å; S652-V656 PolarHBondContact O-N 2.88Å
653F89.6Confident88.7Confident77 Ų7796.4 Ų96.434%0.33849%0.489SS..Hα-helixtrans-60.8-43.9174.5179.7-109.2000111.8W636 V640 L645 Q649 H651 T655 V656 V657W636-F653 HydrophobicContact CH2-CE2 4.38Å; W636-F653 AromaticContact CH2-CZ 3.8Å; W636-F653 HydrophobicContact CH2-CZ 3.8Å; W636-F653 HydrophobicContact CZ2-CE1 4.37Å; W636-F653 AromaticContact CZ2-CZ 3.64Å; W636-F653 HydrophobicContact CZ2-CZ 3.64Å; V640-F653 HydrophobicContact CG1-CE1 4.42Å; V640-F653 HydrophobicContact CG2-CE1 4.11Å; V640-F653 HydrophobicContact CG2-CZ 4.19Å; L645-F653 HydrophobicContact CD1-CB 4.42Å; L645-F653 HydrophobicContact CD1-CD1 4.5Å; L645-F653 HydrophobicContact CD1-CG 4.43Å; Q649-F653 WeakPolarHBondContact O-CB 3.36Å; Q649-F653 PolarHBondContact O-N 2.97Å; H651-F653 PolarHBondContact O-N 2.86Å; F653-T655 PolarHBondContact O-N 3.36Å; F653-V656 PolarHBondContact O-N 3.41Å; F653-V657 HydrophobicContact CD1-CG2 4.4Å; F653-V657 HydrophobicContact CD2-CG2 4.46Å; F653-V657 HydrophobicContact CE1-CG2 4.11Å; F653-V657 HydrophobicContact CE2-CG2 4.17Å; F653-V657 HydrophobicContact CZ-CG2 4Å; F653-V657 WeakPolarHBondContact O-CG2 3.49Å; F653-V657 PolarHBondContact O-N 3.29Å
654G88.8Confident88.8Confident36 Ų3699.9 Ų99.937%0.37149%0.49SS..Hα-helixtrans-57.6-44.9173.500000112.8C650 H651 S652 V656 V657 D658C650-G654 PolarHBondContact O-N 3.4Å; H651-G654 WeakPolarHBondContact O-CA 3.4Å; H651-G654 PolarHBondContact O-N 2.77Å; H651-G654 VanDerWaalsContact O-N 3.13Å; S652-G654 PolarHBondContact O-N 3.26Å; G654-V656 PolarHBondContact O-N 3.18Å; G654-V657 PolarHBondContact O-N 2.97Å; G654-D658 WeakPolarHBondContact O-CB 3.41Å; G654-D658 PolarHBondContact O-N 3.08Å
655T91.9Very high88.8Confident74 Ų7489.3 Ų89.345%0.45445%0.451SS..Hα-helixtrans-60.8-44175.4-47.80000112H651 S652 F653 D658 Q659H651-T655 PolarHBondContact O-N 3.38Å; H651-T655 PolarHBondContact O-OG1 2.94Å; H651-T655 VanDerWaalsContact O-OG1 3.1Å; S652-T655 WeakPolarHBondContact O-CB 3.28Å; S652-T655 PolarHBondContact O-N 3.22Å; F653-T655 PolarHBondContact O-N 3.36Å; T655-D658 PolarHBondContact O-N 3.28Å; T655-Q659 WeakPolarHBondContact O-CB 3.39Å; T655-Q659 PolarHBondContact O-N 3.46Å
656V92.4Very high88.7Confident72 Ų7291.4 Ų91.444%0.43646%0.462SS..Hα-helixtrans-66.8-38.6178.6172.60000111.8S652 F653 G654 R660S652-V656 WeakPolarHBondContact O-CG2 3.37Å; S652-V656 PolarHBondContact O-N 2.88Å; F653-V656 PolarHBondContact O-N 3.41Å; G654-V656 PolarHBondContact O-N 3.18Å; V656-R660 HydrophobicContact CG1-CG 4.49Å; V656-R660 WeakPolarHBondContact O-CB 3.38Å; V656-R660 VanDerWaalsContact O-CG 3.28Å; V656-R660 WeakPolarHBondContact O-CG 3.26Å; V656-R660 PolarHBondContact O-N 3.32Å
657V90.6Very high88.5Confident66 Ų6694.7 Ų94.740%0.447%0.472SS..Hα-helixtrans-65.6-461761700000111.1F653 G654 R660 F661F653-V657 HydrophobicContact CD1-CG2 4.4Å; F653-V657 HydrophobicContact CD2-CG2 4.46Å; F653-V657 HydrophobicContact CE1-CG2 4.11Å; F653-V657 HydrophobicContact CE2-CG2 4.17Å; F653-V657 HydrophobicContact CZ-CG2 4Å; F653-V657 WeakPolarHBondContact O-CG2 3.49Å; F653-V657 PolarHBondContact O-N 3.29Å; G654-V657 PolarHBondContact O-N 2.97Å; V657-R660 PolarHBondContact O-N 3.43Å; V657-F661 WeakPolarHBondContact O-CB 3.32Å; V657-F661 PolarHBondContact O-N 3.39Å
658D89.9Confident88.2Confident54 Ų5490.1 Ų90.129%0.28945%0.453SS..Hα-helixtrans-62.9-43.9176.2177.871.8000111.8G654 T655 R660 F661 R662G654-D658 WeakPolarHBondContact O-CB 3.41Å; G654-D658 PolarHBondContact O-N 3.08Å; T655-D658 PolarHBondContact O-N 3.28Å; D658-R660 PolarHBondContact O-N 3.02Å; D658-F661 PolarHBondContact O-N 3.12Å; D658-R662 VanDerWaalsContact CG-NH2 3.33Å; D658-R662 WeakPolarHBondContact O-CG 3.47Å; D658-R662 PolarHBondContact O-N 3.47Å; D658-R662 IonicContact OD1-CZ 2.74Å; D658-R662 IonicContact OD1-NE 2.71Å; D658-R662 PolarHBondContact OD1-NE 2.81Å; D658-R662 IonicContact OD1-NH2 3.41Å; D658-R662 PolarHBondContact OD1-NH2 2.94Å; D658-R662 IonicContact OD2-CZ 3.53Å; D658-R662 VanDerWaalsContact OD2-CZ 3.31Å; D658-R662 IonicContact OD2-NE 3.61Å; D658-R662 PolarHBondContact OD2-NE 3.49Å; D658-R662 IonicContact OD2-NH2 2.61Å; D658-R662 PolarHBondContact OD2-NH2 3.25Å
659Q92.6Very high87.7Confident130 Ų13085.3 Ų85.361%0.60743%0.432SS*.Hα-helixtrans-59.7-44175-170.7-175.421.900111.9T655 R662 Q663T655-Q659 WeakPolarHBondContact O-CB 3.39Å; T655-Q659 PolarHBondContact O-N 3.46Å; Q659-R662 PolarHBondContact O-N 2.92Å; Q659-Q663 WeakPolarHBondContact O-CB 3.34Å; Q659-Q663 PolarHBondContact O-N 3.1Å
660R91.9Very high87.4Confident186 Ų18682.8 Ų82.870%0.70242%0.422SS*.Hα-helixtrans-66.8-37.2176.4-75.2-69.4-175.7176.7-0.1112.5V656 V657 D658 Q663 W664V656-R660 HydrophobicContact CG1-CG 4.49Å; V656-R660 WeakPolarHBondContact O-CB 3.38Å; V656-R660 VanDerWaalsContact O-CG 3.28Å; V656-R660 WeakPolarHBondContact O-CG 3.26Å; V656-R660 PolarHBondContact O-N 3.32Å; V657-R660 PolarHBondContact O-N 3.43Å; D658-R660 PolarHBondContact O-N 3.02Å; R660-Q663 PolarHBondContact O-N 3.12Å; R660-W664 WeakPolarHBondContact O-CB 3.34Å; R660-W664 PolarHBondContact O-N 3.47Å
661F90.3Very high87.1Confident81 Ų8182.4 Ų82.436%0.35542%0.415SS..Hα-helixtrans-66.4-43.8175.6-179.3-117.3000111.8V657 D658 W664 L665V657-F661 WeakPolarHBondContact O-CB 3.32Å; V657-F661 PolarHBondContact O-N 3.39Å; D658-F661 PolarHBondContact O-N 3.12Å; F661-W664 AromaticContact CD2-CE3 3.92Å; F661-W664 HydrophobicContact CD2-CE3 3.92Å; F661-W664 HydrophobicContact CD2-CZ3 4.26Å; F661-W664 AromaticContact CE2-CE3 3.85Å; F661-W664 HydrophobicContact CE2-CE3 3.85Å; F661-W664 AromaticContact CE2-CZ3 3.72Å; F661-W664 HydrophobicContact CE2-CZ3 3.72Å; F661-W664 PolarHBondContact O-N 3.18Å; F661-L665 HydrophobicContact CD1-CD1 3.99Å; F661-L665 HydrophobicContact CE1-CD1 3.58Å; F661-L665 HydrophobicContact CE1-CG 4.24Å; F661-L665 HydrophobicContact CE2-CD1 4.42Å; F661-L665 HydrophobicContact CE2-CD2 4.33Å; F661-L665 HydrophobicContact CE2-CG 4.21Å; F661-L665 HydrophobicContact CZ-CD1 3.82Å; F661-L665 HydrophobicContact CZ-CD2 4.16Å; F661-L665 HydrophobicContact CZ-CG 4.06Å; F661-L665 WeakPolarHBondContact O-CB 3.23Å; F661-L665 WeakPolarHBondContact O-CG 3.35Å; F661-L665 PolarHBondContact O-N 2.99Å
662R89.4Confident86.6Confident106 Ų10678.9 Ų78.940%0.440%0.396SS..Hα-helixtrans-59.8-46.3172.9-70.2177.5-161.8-78.5-23.3112D658 Q659 W664 L665 I666D658-R662 VanDerWaalsContact CG-NH2 3.33Å; D658-R662 WeakPolarHBondContact O-CG 3.47Å; D658-R662 PolarHBondContact O-N 3.47Å; D658-R662 IonicContact OD1-CZ 2.74Å; D658-R662 IonicContact OD1-NE 2.71Å; D658-R662 PolarHBondContact OD1-NE 2.81Å; D658-R662 IonicContact OD1-NH2 3.41Å; D658-R662 PolarHBondContact OD1-NH2 2.94Å; D658-R662 IonicContact OD2-CZ 3.53Å; D658-R662 VanDerWaalsContact OD2-CZ 3.31Å; D658-R662 IonicContact OD2-NE 3.61Å; D658-R662 PolarHBondContact OD2-NE 3.49Å; D658-R662 IonicContact OD2-NH2 2.61Å; D658-R662 PolarHBondContact OD2-NH2 3.25Å; Q659-R662 PolarHBondContact O-N 2.92Å; R662-W664 PolarHBondContact O-N 3.33Å; R662-L665 PolarHBondContact O-N 2.96Å; R662-I666 WeakPolarHBondContact O-CG1 3.36Å; R662-I666 PolarHBondContact O-N 3.47Å
663Q89.9Confident86.1Confident86 Ų8676.9 Ų76.940%0.40238%0.379SS..Hα-helixtrans-59.5-46.8176.9-17364.419.900111.2Q659 R660 L665 I666 E667Q659-Q663 WeakPolarHBondContact O-CB 3.34Å; Q659-Q663 PolarHBondContact O-N 3.1Å; R660-Q663 PolarHBondContact O-N 3.12Å; Q663-L665 PolarHBondContact O-N 2.91Å; Q663-I666 PolarHBondContact O-N 2.72Å; Q663-E667 HydrophobicContact CG-CG 4.41Å; Q663-E667 WeakPolarHBondContact CG-OE1 3.36Å; Q663-E667 PolarHBondContact NE2-OE1 2.87Å; Q663-E667 WeakPolarHBondContact O-CG 3.27Å; Q663-E667 PolarHBondContact O-N 3.35Å
664W89.3Confident85.7Confident130 Ų13076.9 Ų76.949%0.49238%0.382SS..Hα-helixtrans-61.2-42175.6173.379.5000112.8R660 F661 R662 I666 E667 S668 N670R660-W664 WeakPolarHBondContact O-CB 3.34Å; R660-W664 PolarHBondContact O-N 3.47Å; F661-W664 AromaticContact CD2-CE3 3.92Å; F661-W664 HydrophobicContact CD2-CE3 3.92Å; F661-W664 HydrophobicContact CD2-CZ3 4.26Å; F661-W664 AromaticContact CE2-CE3 3.85Å; F661-W664 HydrophobicContact CE2-CE3 3.85Å; F661-W664 AromaticContact CE2-CZ3 3.72Å; F661-W664 HydrophobicContact CE2-CZ3 3.72Å; F661-W664 PolarHBondContact O-N 3.18Å; R662-W664 PolarHBondContact O-N 3.33Å; W664-I666 VanDerWaalsContact C-N 3.27Å; W664-I666 PolarHBondContact O-N 2.96Å; W664-E667 PolarHBondContact O-N 2.91Å; W664-S668 VanDerWaalsContact O-CB 3.25Å; W664-S668 WeakPolarHBondContact O-CB 3.43Å; W664-S668 PolarHBondContact O-N 3.22Å; W664-S668 PolarHBondContact O-OG 3.43Å; W664-N670 WeakPolarHBondContact CH2-ND2 3.39Å; W664-N670 WeakPolarHBondContact CZ2-ND2 3.41Å
665L83.9Confident85.1Confident6 Ų679.6 Ų79.63%0.03139%0.385CS..Hα-helixtrans-60.9-35.2175.5-76.5176.8000112.1F661 R662 Q663 S668 G669 N670 L671 L674F661-L665 HydrophobicContact CD1-CD1 3.99Å; F661-L665 HydrophobicContact CE1-CD1 3.58Å; F661-L665 HydrophobicContact CE1-CG 4.24Å; F661-L665 HydrophobicContact CE2-CD1 4.42Å; F661-L665 HydrophobicContact CE2-CD2 4.33Å; F661-L665 HydrophobicContact CE2-CG 4.21Å; F661-L665 HydrophobicContact CZ-CD1 3.82Å; F661-L665 HydrophobicContact CZ-CD2 4.16Å; F661-L665 HydrophobicContact CZ-CG 4.06Å; F661-L665 WeakPolarHBondContact O-CB 3.23Å; F661-L665 WeakPolarHBondContact O-CG 3.35Å; F661-L665 PolarHBondContact O-N 2.99Å; R662-L665 PolarHBondContact O-N 2.96Å; Q663-L665 PolarHBondContact O-N 2.91Å; L665-S668 PolarHBondContact O-OG 3.21Å; L665-G669 CarbonylContact O-C 3.47Å; L665-G669 PolarHBondContact O-N 2.9Å; L665-N670 HydrophobicContact CD2-CB 3.67Å; L665-N670 PolarHBondContact O-N 3.42Å; L665-L671 HydrophobicContact CB-CB 4.01Å; L665-L671 WeakPolarHBondContact O-CB 3.43Å; L665-L671 PolarHBondContact O-N 2.92Å; L665-L674 HydrophobicContact CD1-CD1 4.36Å; L665-L674 HydrophobicContact CD2-CD1 3.99Å
666I81.3Confident84.1Confident100 Ų10077.2 Ų77.251%0.51337%0.37SS..Hα-helixtrans-72.4-52.5175.8-66.3162.7000110.5R662 Q663 W664 S668 G669 L671R662-I666 WeakPolarHBondContact O-CG1 3.36Å; R662-I666 PolarHBondContact O-N 3.47Å; Q663-I666 PolarHBondContact O-N 2.72Å; W664-I666 VanDerWaalsContact C-N 3.27Å; W664-I666 PolarHBondContact O-N 2.96Å; I666-S668 PolarHBondContact O-N 2.84Å; I666-G669 PolarHBondContact O-N 2.86Å; I666-L671 HydrophobicContact CG1-CD2 3.72Å
667E81.7Confident83.3Confident139 Ų13974.9 Ų74.965%0.6536%0.355SS*.Hα-helixtrans-63.9-39.2-175.7-72.3173.2172.800113.1Q663 W664 G669Q663-E667 HydrophobicContact CG-CG 4.41Å; Q663-E667 WeakPolarHBondContact CG-OE1 3.36Å; Q663-E667 PolarHBondContact NE2-OE1 2.87Å; Q663-E667 WeakPolarHBondContact O-CG 3.27Å; Q663-E667 PolarHBondContact O-N 3.35Å; W664-E667 PolarHBondContact O-N 2.91Å; E667-G669 VanDerWaalsContact C-N 3.27Å; E667-G669 PolarHBondContact O-N 3.48Å
668S79.6Confident82.2Confident53 Ų5377.1 Ų77.137%0.37136%0.361SS..THydrogen-bonded Turntrans-74.7-14.6174.460.40000113.8W664 L665 I666 N670W664-S668 VanDerWaalsContact O-CB 3.25Å; W664-S668 WeakPolarHBondContact O-CB 3.43Å; W664-S668 PolarHBondContact O-N 3.22Å; W664-S668 PolarHBondContact O-OG 3.43Å; L665-S668 PolarHBondContact O-OG 3.21Å; I666-S668 PolarHBondContact O-N 2.84Å; S668-N670 PolarHBondContact O-N 3.27Å; S668-N670 VanDerWaalsContact OG-CB 3.31Å; S668-N670 WeakPolarHBondContact OG-CB 3.26Å; S668-N670 VanDerWaalsContact OG-CG 3.27Å; S668-N670 PolarHBondContact OG-N 3.25Å; S668-N670 PolarHBondContact OG-ND2 3.41Å; S668-N670 VanDerWaalsContact OG-ND2 3.14Å
669G76.8Confident80.9Confident24 Ų2478.2 Ų78.225%0.24737%0.366CS..SBendtrans73.10.8-168.300000114.6Y365 L665 I666 E667 L671 R672 Q673Y365-G669 PolarHBondContact OH-O 2.73Å; L665-G669 CarbonylContact O-C 3.47Å; L665-G669 PolarHBondContact O-N 2.9Å; I666-G669 PolarHBondContact O-N 2.86Å; E667-G669 VanDerWaalsContact C-N 3.27Å; E667-G669 PolarHBondContact O-N 3.48Å; G669-L671 PolarHBondContact O-N 2.75Å; G669-R672 WeakPolarHBondContact O-CB 3.48Å; G669-R672 PolarHBondContact O-N 3.03Å; G669-Q673 PolarHBondContact O-N 2.97Å
670N81.5Confident79.1Confident45 Ų4573.4 Ų73.424%0.24135%0.347CS..Hα-helixtrans-61-30.7179.8-73.3-23.8000113W664 L665 S668 R672 Q673 L674W664-N670 WeakPolarHBondContact CH2-ND2 3.39Å; W664-N670 WeakPolarHBondContact CZ2-ND2 3.41Å; L665-N670 HydrophobicContact CD2-CB 3.67Å; L665-N670 PolarHBondContact O-N 3.42Å; S668-N670 PolarHBondContact O-N 3.27Å; S668-N670 VanDerWaalsContact OG-CB 3.31Å; S668-N670 WeakPolarHBondContact OG-CB 3.26Å; S668-N670 VanDerWaalsContact OG-CG 3.27Å; S668-N670 PolarHBondContact OG-N 3.25Å; S668-N670 PolarHBondContact OG-ND2 3.41Å; S668-N670 VanDerWaalsContact OG-ND2 3.14Å; N670-R672 PolarHBondContact O-N 3.21Å; N670-Q673 WeakPolarHBondContact O-CB 3.29Å; N670-Q673 PolarHBondContact O-N 3.08Å; N670-Q673 VanDerWaalsContact O-N 3.09Å; N670-L674 WeakPolarHBondContact O-CG 3.48Å; N670-L674 PolarHBondContact O-N 2.85Å
671L81Confident77.4Confident54 Ų5467.8 Ų67.828%0.28333%0.333SS..Hα-helixtrans-53.8-43.5172-179.659.3000111.3L665 I666 G669 L674 Q675L665-L671 HydrophobicContact CB-CB 4.01Å; L665-L671 WeakPolarHBondContact O-CB 3.43Å; L665-L671 PolarHBondContact O-N 2.92Å; I666-L671 HydrophobicContact CG1-CD2 3.72Å; G669-L671 PolarHBondContact O-N 2.75Å; L671-L674 PolarHBondContact O-N 3.25Å; L671-Q675 VanDerWaalsContact O-CG 3.29Å; L671-Q675 WeakPolarHBondContact O-CG 3.37Å; L671-Q675 PolarHBondContact O-N 2.99Å
672R77Confident75.1Confident69 Ų6966.7 Ų66.726%0.2635%0.345SS..Hα-helixtrans-72.3-32180-178.3-179.6172.9180-2112.2C363 G669 N670 L676C363-R672 PolarHBondContact O-NH2 3.16Å; C363-R672 VanDerWaalsContact O-NH2 3.09Å; G669-R672 WeakPolarHBondContact O-CB 3.48Å; G669-R672 PolarHBondContact O-N 3.03Å; N670-R672 PolarHBondContact O-N 3.21Å; R672-L676 HydrophobicContact CG-CD1 4.13Å; R672-L676 WeakPolarHBondContact O-CB 3.16Å; R672-L676 VanDerWaalsContact O-CG 3.26Å; R672-L676 WeakPolarHBondContact O-CG 3.46Å; R672-L676 PolarHBondContact O-N 3.49Å; R672-L676 VanDerWaalsContact O-N 3.1Å
673Q79.5Confident72.8Confident26 Ų2669.4 Ų69.412%0.12136%0.362CS..Hα-helixtrans-62.7-46.5170.8-169.3175.5-41.400110.3I343 Y365 Y367 G669 N670 L676 L677I343-Q673 HydrophobicContact CD1-CG 4.44Å; Y365-Q673 HydrophobicContact CD1-CB 4.38Å; Y365-Q673 HydrophobicContact CD1-CG 3.88Å; Y365-Q673 HydrophobicContact CD2-CG 4.47Å; Y365-Q673 HydrophobicContact CE1-CB 3.79Å; Y365-Q673 HydrophobicContact CE1-CG 3.78Å; Y365-Q673 HydrophobicContact CE2-CB 4.08Å; Y365-Q673 HydrophobicContact CE2-CG 4.37Å; Y365-Q673 HydrophobicContact CG-CG 4.27Å; Y367-Q673 PolarHBondContact OH-NE2 3.05Å; G669-Q673 PolarHBondContact O-N 2.97Å; N670-Q673 WeakPolarHBondContact O-CB 3.29Å; N670-Q673 PolarHBondContact O-N 3.08Å; N670-Q673 VanDerWaalsContact O-N 3.09Å; Q673-L676 PolarHBondContact O-N 3.17Å; Q673-L677 HydrophobicContact CG-CD1 4.13Å; Q673-L677 VanDerWaalsContact O-CG 3.22Å; Q673-L677 WeakPolarHBondContact O-CG 3.46Å; Q673-L677 PolarHBondContact O-N 3.47Å
674L79.8Confident70.3Confident77 Ų7771.1 Ų71.140%0.40338%0.378SS..Hα-helixtrans-60.8-52.2176.4-66.8171.6000111.6L665 N670 L671 L676 L677 E678L665-L674 HydrophobicContact CD1-CD1 4.36Å; L665-L674 HydrophobicContact CD2-CD1 3.99Å; N670-L674 WeakPolarHBondContact O-CG 3.48Å; N670-L674 PolarHBondContact O-N 2.85Å; L671-L674 PolarHBondContact O-N 3.25Å; L674-L676 VanDerWaalsContact C-N 3.3Å; L674-L676 PolarHBondContact O-N 3.13Å; L674-L677 CarbonylContact O-C 3.55Å; L674-L677 WeakPolarHBondContact O-CA 3.44Å; L674-L677 WeakPolarHBondContact O-CB 3.49Å; L674-L677 PolarHBondContact O-N 3.46Å; L674-E678 WeakPolarHBondContact O-CG 3.47Å; L674-E678 PolarHBondContact O-N 2.82Å
675Q77.1Confident67.4Low93 Ų9371.6 Ų71.644%0.43539%0.39SS..Hα-helixtrans-53.1-44.4177.1-72.8167.6-22.200112.9L671 L677 L679L671-Q675 VanDerWaalsContact O-CG 3.29Å; L671-Q675 WeakPolarHBondContact O-CG 3.37Å; L671-Q675 PolarHBondContact O-N 2.99Å; Q675-L677 VanDerWaalsContact C-N 3.33Å; Q675-L677 PolarHBondContact O-N 3.41Å; Q675-L679 WeakPolarHBondContact O-CB 3.5Å; Q675-L679 WeakPolarHBondContact O-CD1 3.3Å; Q675-L679 VanDerWaalsContact O-CG 3.26Å; Q675-L679 WeakPolarHBondContact O-CG 3.33Å; Q675-L679 PolarHBondContact O-N 3.49Å; Q675-L679 VanDerWaalsContact O-N 3.12Å
676L71Confident64.6Low25 Ų2576.9 Ų76.913%0.13143%0.428CS..Hα-helixtrans-71.4-26.1177.9-70.2170.3000113.1I343 Y365 R672 Q673 L674 S680I343-L676 HydrophobicContact CD1-CB 3.47Å; I343-L676 VanDerWaalsContact CD1-CB 3.47Å; I343-L676 HydrophobicContact CD1-CD1 4.45Å; I343-L676 HydrophobicContact CG1-CB 3.7Å; I343-L676 HydrophobicContact CG1-CD1 4.11Å; Y365-L676 HydrophobicContact CD2-CD1 4.28Å; Y365-L676 HydrophobicContact CE2-CD1 4.19Å; R672-L676 HydrophobicContact CG-CD1 4.13Å; R672-L676 WeakPolarHBondContact O-CB 3.16Å; R672-L676 VanDerWaalsContact O-CG 3.26Å; R672-L676 WeakPolarHBondContact O-CG 3.46Å; R672-L676 PolarHBondContact O-N 3.49Å; R672-L676 VanDerWaalsContact O-N 3.1Å; Q673-L676 PolarHBondContact O-N 3.17Å; L674-L676 VanDerWaalsContact C-N 3.3Å; L674-L676 PolarHBondContact O-N 3.13Å; L676-S680 PolarHBondContact O-N 2.72Å; L676-S680 PolarHBondContact O-OG 3.42Å
677L74.6Confident62.1Low22 Ų2277.6 Ų77.612%0.11544%0.437CS..Hα-helixtrans-76.3-44172.3-71.1168.4000111.5I343 P544 L545 Q673 L674 Q675 L679 S680 T681I343-L677 HydrophobicContact CD1-CD2 3.88Å; I343-L677 HydrophobicContact CD1-CG 3.76Å; I343-L677 HydrophobicContact CG2-CD2 4.42Å; P544-L677 HydrophobicContact CB-CD1 3.69Å; P544-L677 HydrophobicContact CB-CD2 4Å; P544-L677 HydrophobicContact CG-CD1 4.23Å; L545-L677 HydrophobicContact CD1-CD2 3.79Å; L545-L677 HydrophobicContact CD2-CD2 4.38Å; L545-L677 HydrophobicContact CG-CD2 3.84Å; Q673-L677 HydrophobicContact CG-CD1 4.13Å; Q673-L677 VanDerWaalsContact O-CG 3.22Å; Q673-L677 WeakPolarHBondContact O-CG 3.46Å; Q673-L677 PolarHBondContact O-N 3.47Å; L674-L677 CarbonylContact O-C 3.55Å; L674-L677 WeakPolarHBondContact O-CA 3.44Å; L674-L677 WeakPolarHBondContact O-CB 3.49Å; L674-L677 PolarHBondContact O-N 3.46Å; Q675-L677 VanDerWaalsContact C-N 3.33Å; Q675-L677 PolarHBondContact O-N 3.41Å; L677-L679 PolarHBondContact O-N 3.24Å; L677-S680 CarbonylContact O-C 3.59Å; L677-S680 WeakPolarHBondContact O-CA 3.49Å; L677-S680 VanDerWaalsContact O-CB 3.27Å; L677-S680 WeakPolarHBondContact O-CB 3.35Å; L677-S680 PolarHBondContact O-N 3.1Å; L677-T681 PolarHBondContact O-N 2.96Å; L677-T681 PolarHBondContact O-OG1 3.04Å; L677-T681 VanDerWaalsContact O-OG1 3.12Å
678E68.2Low59.5Low113 Ų11376.3 Ų76.353%0.52844%0.44SS..Hα-helixtrans-56.9-50177.1-72.5170160.200111.3L674 S680 T681 G682L674-E678 WeakPolarHBondContact O-CG 3.47Å; L674-E678 PolarHBondContact O-N 2.82Å; E678-S680 PolarHBondContact O-N 3.39Å; E678-T681 PolarHBondContact O-N 3.24Å; E678-T681 PolarHBondContact O-OG1 2.85Å; E678-G682 PolarHBondContact O-N 3.34Å; E678-G682 VanDerWaalsContact O-N 3.08Å
679L61.6Low56.8Low77 Ų7779.4 Ų79.440%0.40346%0.462SS..Hα-helixtrans-53.5-34.5171.8-73.4168.7000112.3Q675 L677Q675-L679 WeakPolarHBondContact O-CB 3.5Å; Q675-L679 WeakPolarHBondContact O-CD1 3.3Å; Q675-L679 VanDerWaalsContact O-CG 3.26Å; Q675-L679 WeakPolarHBondContact O-CG 3.33Å; Q675-L679 PolarHBondContact O-N 3.49Å; Q675-L679 VanDerWaalsContact O-N 3.12Å; L677-L679 PolarHBondContact O-N 3.24Å
680S55.7Low54.4Low29 Ų2989.9 Ų89.920%0.20349%0.494CS..Hα-helixtrans-81.9-17.5179.9-58.50000114.4L286 L676 L677 E678L286-S680 WeakPolarHBondContact CB-OG 3.3Å; L286-S680 WeakPolarHBondContact CD1-OG 3.25Å; L676-S680 PolarHBondContact O-N 2.72Å; L676-S680 PolarHBondContact O-OG 3.42Å; L677-S680 CarbonylContact O-C 3.59Å; L677-S680 WeakPolarHBondContact O-CA 3.49Å; L677-S680 VanDerWaalsContact O-CB 3.27Å; L677-S680 WeakPolarHBondContact O-CB 3.35Å; L677-S680 PolarHBondContact O-N 3.1Å; E678-S680 PolarHBondContact O-N 3.39Å
681T55.4Low51.7Low68 Ų6894.3 Ų94.342%0.41752%0.518SS..Hα-helixtrans-110.3-9.7-17552.40000115L545 L677 E678 H683 V684L545-T681 HydrophobicContact CD2-CG2 3.85Å; L677-T681 PolarHBondContact O-N 2.96Å; L677-T681 PolarHBondContact O-OG1 3.04Å; L677-T681 VanDerWaalsContact O-OG1 3.12Å; E678-T681 PolarHBondContact O-N 3.24Å; E678-T681 PolarHBondContact O-OG1 2.85Å; T681-H683 PolarHBondContact O-N 2.98Å; T681-V684 PolarHBondContact O-N 3.5Å
682G43.1Very low49.1Very low58 Ų5898 Ų9860%0.59854%0.544SS*.THydrogen-bonded Turntrans-65.827.5-167.200000118.7E678E678-G682 PolarHBondContact O-N 3.34Å; E678-G682 VanDerWaalsContact O-N 3.08Å
683H40.9Very low46.7Very low163 Ų163100 Ų10076%0.75556%0.564SS**THydrogen-bonded Turntrans-141.28.3177.2-107.153000115.2T681T681-H683 PolarHBondContact O-N 2.98Å
684V36.9Very low44.1Very low122 Ų122105.1 Ų105.174%0.73960%0.598SS**SBendtrans-84.6-25.6-178.7-177.80000113.2T681T681-V684 PolarHBondContact O-N 3.5Å
685N28.3Very low41.6Very low141 Ų141112.2 Ų112.275%0.75462%0.621SS**  trans-116.965.8-172.4-74.6-14.2000113.7V687N685-V687 HydrophobicContact CB-CG2 4.46Å; N685-V687 PolarHBondContact O-N 3.16Å
686S26.3Very low39.2Very low116 Ų116113.2 Ų113.281%0.81164%0.638SS**  trans-79.662161.864.50000110.8
687V28Very low37.1Very low116 Ų116119.4 Ų119.470%0.70367%0.67SS**PPolyproline II helixtrans-70.7127.7174.3-179.30000108.4N685 S689N685-V687 HydrophobicContact CB-CG2 4.46Å; N685-V687 PolarHBondContact O-N 3.16Å; V687-S689 PolarHBondContact O-N 3.19Å
688P27.4Very low34.8Very low112 Ų112125.6 Ų125.673%0.72770%0.703SS**PPolyproline II helixtrans-60.3138.8178.2-23.133.6000111.6R690P688-R690 PolarHBondContact O-N 3.32Å
689S23.7Very low32.8Very low117 Ų117129.5 Ų129.582%0.81872%0.718SS**PPolyproline II helixtrans-59.8119-179450000112V687V687-S689 PolarHBondContact O-N 3.19Å
690R25.3Very low31.3Very low244 Ų244131.3 Ų131.392%0.92174%0.737SS**  trans-124135.3161.5-86.5-171.9165.2-168.4-4.5109.6P688P688-R690 PolarHBondContact O-N 3.32Å
691N25.9Very low29.8Very low139 Ų139134.1 Ų134.174%0.74377%0.77SS**  trans-71.8150-167-61-18.2000112.2T693N691-T693 PolarHBondContact O-N 3.28Å
692P25.8Very low28.6Very low130 Ų130135 Ų13584%0.84479%0.785SS**  trans-75.5114.9172.531.1-33000110.6
693T26.6Very low27.9Very low111 Ų111137.4 Ų137.468%0.68179%0.79SS**  trans-123.3103.1166.451.30000110.2N691N691-T693 PolarHBondContact O-N 3.28Å
694T23.9Very low27.2Very low134 Ų134137.8 Ų137.882%0.82280%0.797SS**  trans27110.8144.2-43.10000117.9
695Y27.7Very low26.7Very low226 Ų226136.7 Ų136.789%0.88680%0.795SS**  trans-122.7150.4154.7-91-88.8000110.7
696S26.8Very low26.6Very low114 Ų114136.4 Ų136.480%0.79780%0.798SS**  trans-81161-164.5-161.10000113.6
697I26.5Very low26.5Very low155 Ų155135.4 Ų135.480%0.79579%0.79SS**  trans-72.2124.7169.1-60167.7000108.3
698D27Very low26.4Very low152 Ų152133.2 Ų133.281%0.81378%0.781SS**  trans-115.5143.7168.5-146.3-21.4000111.1S700D698-S700 PolarHBondContact O-N 2.9Å
699K26.4Very low26.4Very low196 Ų196133.7 Ų133.785%0.85278%0.781SS**  trans-100.685.8-164.8-72.6-179.4177.9175.70112.3
700S29Very low26.6Very low115 Ų115133 Ų13380%0.80476%0.764SS**  trans-143.6150.6160.759.70000111.6D698D698-S700 PolarHBondContact O-N 2.9Å
701G25.8Very low26.6Very low87 Ų87129 Ų12990%0.89776%0.755SS**  trans-88.9122.2-167.700000114
702A28.6Very low26.7Very low88 Ų88128 Ų12873%0.72776%0.76SS**  trans-140.914616300000109.4
703P28.2Very low26.8Very low108 Ų108130 Ų13070%0.70176%0.758SS**  trans-70.2143.9-178.228.9-34.6000111.9S705P703-S705 PolarHBondContact O-N 3.42Å
704L27Very low27Very low170 Ų170129.1 Ų129.189%0.8976%0.761SS**  trans-62.5115.7-173.2-71164.4000113V706L704-V706 PolarHBondContact O-N 2.99Å
705S25.6Very low27.4Very low100 Ų100130.6 Ų130.670%0.69976%0.764SS**  trans-73.1115.8163.355.60000110P703 S707P703-S705 PolarHBondContact O-N 3.42Å; S705-S707 VanDerWaalsContact C-N 3.28Å; S705-S707 PolarHBondContact O-N 3.07Å
706V26.8Very low27.4Very low135 Ų135131.7 Ų131.782%0.81877%0.767SS**  trans-77.778.6179.1-174.10000110.3L704 S708L704-V706 PolarHBondContact O-N 2.99Å; V706-S708 PolarHBondContact O-N 3.04Å
707S24.1Very low27.7Very low94 Ų94131.8 Ų131.866%0.65777%0.768SS**  trans-84.686174.5-62.80000110.5S705 T709S705-S707 VanDerWaalsContact C-N 3.28Å; S705-S707 PolarHBondContact O-N 3.07Å; S707-T709 PolarHBondContact O-N 3.34Å
708S26.9Very low27.8Very low71 Ų71131.8 Ų131.850%0.49777%0.769SS.*  trans-75.382.1178.5610000112.1V706 F710V706-S708 PolarHBondContact O-N 3.04Å; S708-F710 PolarHBondContact O-N 3.46Å; S708-F710 VanDerWaalsContact O-N 3.17Å
709T26Very low28.2Very low121 Ų121133.9 Ų133.974%0.74277%0.774SS**  trans-67.2108.9171.9-55.20000110S707 Q711S707-T709 PolarHBondContact O-N 3.34Å; T709-Q711 PolarHBondContact O-N 3.19Å
710F28.8Very low28.2Very low103 Ų103128 Ų12845%0.45277%0.768SS.*  trans-71109172.9-96.6-106.7000110.5S708S708-F710 PolarHBondContact O-N 3.46Å; S708-F710 VanDerWaalsContact O-N 3.17Å
711Q25.3Very low28.3Very low159 Ų159129.5 Ų129.574%0.74377%0.773SS**  trans-103.9114158.9-77.2-177.3-35.200108.7T709 H713T709-Q711 PolarHBondContact O-N 3.19Å; Q711-H713 PolarHBondContact O-N 3.5Å; Q711-H713 VanDerWaalsContact O-N 3.07Å
712S27.3Very low28.4Very low120 Ų120136.4 Ų136.484%0.83977%0.771SS**  trans-78.785.1177.956.30000110.8A714S712-A714 PolarHBondContact O-N 3.34Å
713H28Very low28.5Very low172 Ų172137.1 Ų137.180%0.79677%0.771SS**  trans-76.7107162.7-86.5-75.6000109.5Q711Q711-H713 PolarHBondContact O-N 3.5Å; Q711-H713 VanDerWaalsContact O-N 3.07Å
714A31.3Very low28.6Very low92 Ų92136.1 Ų136.176%0.7677%0.767SS**PPolyproline II helixtrans-77.1152.6162.900000110S712S712-A714 PolarHBondContact O-N 3.34Å
715D31.9Very low28.6Very low165 Ų165138.4 Ų138.488%0.88277%0.765SS**PPolyproline II helixtrans-64.8148.7-168.3-65.6-75.2000114.9
716R28.4Very low29Very low248 Ų248140 Ų14094%0.93677%0.77SS**PPolyproline II helixtrans-97.3117.7161.7-86.2-177.4166.1177.8-4.3109.2
717S32.9Very low29.2Very low117 Ų117140.5 Ų140.582%0.81877%0.768SS**PPolyproline II helixtrans-78.8138.715948.40000110.3
718D28.7Very low29.5Very low154 Ų154139.8 Ų139.882%0.82478%0.776SS**PPolyproline II helixtrans-66.9133.5174.7-93.1-51.5000112.2
719H34.8Very low29.6Very low197 Ų197144.7 Ų144.791%0.91279%0.791SS**  trans-156141135.3-84.9-41.9000109.2
720G27.8Very low29.9Very low72 Ų72147.1 Ų147.174%0.74280%0.797SS**  trans-106.5-144.4-162.400000116.5
721V31.2Very low29.9Very low147 Ų147146.3 Ų146.389%0.89181%0.805SS**  trans89.871.7-178.6-164.30000116.5
722R27.2Very low30.2Very low231 Ų231146.4 Ų146.487%0.87281%0.81SS**  60.7136.2112.9-159.8179.6-167.8178.44.2121.2
723S29.9Very low30.3Very low104 Ų104145.7 Ų145.773%0.72781%0.805SS**  trans82.1140.8159-114.50000117.8
724S30.4Very low30.5Very low86 Ų86144.2 Ų144.260%0.60180%0.802SS**  cis-178.1135.5-14.834.10000113.3
725Y28.3Very low30.5Very low218 Ų218150.8 Ų150.886%0.85581%0.807SS**  trans55.1157.6156.6-72.6-87.6000118.1
726V33.7Very low30.4Very low134 Ų134146.9 Ų146.981%0.81279%0.792SS**  cis-146.4159.927.9176.50000110.7
727D29.5Very low30.6Very low145 Ų145142 Ų14278%0.77579%0.785SS**  trans-73.9172177.9-55.8-87.6000117.5
728G31.6Very low30.6Very low79 Ų79141.2 Ų141.281%0.81478%0.778SS**  trans-16992169.100000115.1
729H28.9Very low30.7Very low174 Ų174141.4 Ų141.481%0.80678%0.778SS**  trans-79.2158.5172.2-89.4-90.9000113.1
730I32.4Very low30.8Very low172 Ų172137.7 Ų137.788%0.88277%0.771SS**  -171.8160129.3-98.4155.2000110.9
731S28.4Very low31.1Very low87 Ų87140.3 Ų140.361%0.60878%0.779SS**  trans-122.4-178.7-161.7-51.30000114.4
732N31.8Very low31Very low161 Ų161144.7 Ų144.786%0.86178%0.779SS**  trans100.3154.5162-54-32.8000117.3
733S28.4Very low31.4Very low105 Ų105138.6 Ų138.673%0.73477%0.772SS**  cis-176.7-179.3-30.2-170.60000109.6
734I33.6Very low31.6Very low140 Ų140140.1 Ų140.172%0.71877%0.772SS**  trans85.9104.9157.2-59.2174000119.8
735R29.8Very low31.8Very low231 Ų231141.6 Ų141.687%0.87277%0.773SS**  51.8157.5126.3-61.1-172.3176167.6-2.7122.3
736S31.8Very low32.2Very low82 Ų82138 Ų13857%0.57376%0.764SS**  cis-173.7173.4-18.7-90.60000110.1
737D32.3Very low32.3Very low147 Ų147137.6 Ų137.679%0.78676%0.757SS**  trans71157.6155.4-54.1-40000118
738C31.5Very low32.5Very low100 Ų100137.6 Ų137.668%0.67675%0.753SS**  cis-171.6162.6-22.2-97.80000106.2
739L32.2Very low32.7Very low157 Ų157142.5 Ų142.582%0.82275%0.752SS**  cis-159.6164.5-9.9-102.4162.6000107.8
740P35.7Very low33Very low119 Ų119138.2 Ų138.277%0.77375%0.747SS**  trans-101.1173-174.239.6-35.4000115.5
741S33.8Very low33.2Very low128 Ų128135.5 Ų135.590%0.89574%0.738SS**  trans-137.1167.5169.263.40000113
742R28.8Very low33.6Very low239 Ų239138 Ų13890%0.90275%0.745SS**  trans-155.4177.2-165.4-154.9-179.9-176-168.32.3110.6
743S35.5Very low33.9Very low103 Ų103137.4 Ų137.472%0.7274%0.742SS**  trans83.5156.1169.285.30000117
744N35.5Very low34.5Very low135 Ų135138.8 Ų138.872%0.72274%0.741SS**  cis-165.1158.8-25-108.211.6000110.8
745N35.1Very low34.8Very low118 Ų118139.5 Ų139.563%0.63175%0.746SS**  trans52.4134.7142.3-7031.6000125.1
746E35.5Very low35.3Very low143 Ų143132.1 Ų132.167%0.66874%0.735SS**  106.6130.5120.6-91169.8-115.300124.9
747N35.7Very low35.8Very low124 Ų124135.9 Ų135.966%0.66375%0.748SS**  trans69.3161.3147.5-56-29.3000121.5
748Q33.8Very low36.4Very low146 Ų146132.5 Ų132.568%0.68275%0.748SS**  cis-171.2165.4-43.7-160.1162.574.200109.4
749F35.3Very low37Very low181 Ų181139.6 Ų139.679%0.79478%0.777SS**  trans72.7134.1178.2-60.6-85.4000115.6
750A36.3Very low37.2Very low85 Ų85138.8 Ų138.870%0.70278%0.775SS**  83.2144.252.400000112.3
751T36.9Very low37.3Very low114 Ų114139.8 Ų139.870%0.69978%0.775SS**  cis-148.7140.420.1420000110.7
752D35.9Very low37.5Very low140 Ų140140.4 Ų140.475%0.74977%0.768SS**  89.4174.5104.9-62.1-31.1000115.5
753D38.7Very low38Very low148 Ų148134.6 Ų134.679%0.79176%0.76SS**  trans68.4142.5177.3-49.2-6.8000118.2
754D39.9Very low38.2Very low135 Ų135136.6 Ų136.672%0.72276%0.763SS**  cis-168.1159.2-28.9-113.4-7.2000110
755D40.2Very low38.3Very low155 Ų155136.7 Ų136.783%0.82977%0.766SS**  trans41.8154.9148.4-77.7-6.1000124
756A41Very low38.6Very low76 Ų76138.1 Ų138.163%0.62878%0.775SS**  cis-164.4173.3-7.100000112.6
757D42.2Very low38.8Very low160 Ų160137.7 Ų137.786%0.85678%0.784SS**  trans49.993.5148.5-65.2-12000123.9
758G45.2Very low39.1Very low77 Ų77138.8 Ų138.879%0.79479%0.794SS**  36.6121.9109.100000124.3
759I43.4Very low39.5Very low249 Ų249138.2 Ų138.2100%1.27780%0.804SS**  -132.80128.3-66.8-172.1000108

Retrieved 759 of 759 residues in 187.9 ms (Link to these results)

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