A0A3Q0KEZ3_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KEZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 455 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
1M30.3Very low55.8Low244 Ų244128.4 Ų128.4100%1.20267%0.666SS**  097.40-76.3-179.9170.300109.6
2K31.7Very low59Low212 Ų212124.8 Ų124.892%0.92264%0.643SS**  trans162.578.6158.2-94.8-177.2-177.9-176.90105.3G4K2-G4 PolarHBondContact O-N 3.32Å
3A32.9Very low61.7Low91 Ų91115.4 Ų115.475%0.75260%0.595SS**  trans-66117.6163.400000106.1Y5A3-Y5 PolarHBondContact O-N 3.22Å
4G32.4Very low63.9Low74 Ų74113.3 Ų113.376%0.76358%0.576SS**  trans-65.2115.6173.400000108.3K2 D6K2-G4 PolarHBondContact O-N 3.32Å; G4-D6 PolarHBondContact O-N 2.84Å; G4-D6 VanDerWaalsContact O-N 3.08Å
5Y36.1Very low65.7Low228 Ų228106.9 Ų106.989%0.89454%0.542SS*.  trans-64.1104.3164.7-85.3-97.4000107.1A3 E7A3-Y5 PolarHBondContact O-N 3.22Å; Y5-E7 PolarHBondContact O-N 3.04Å
6D49Very low67.2Low156 Ų156110 Ų11083%0.83455%0.551SS**  trans-65.7109.8162.2-110.4-30.9000106.4G4 E8G4-D6 PolarHBondContact O-N 2.84Å; G4-D6 VanDerWaalsContact O-N 3.08Å; D6-E8 PolarHBondContact O-N 3.4Å
7E59.4Low68.3Low166 Ų166111.5 Ų111.578%0.77656%0.561SS**  trans-57.8106.6172.3-79177.9166.100108.8Y5 L9Y5-E7 PolarHBondContact O-N 3.04Å; E7-L9 PolarHBondContact O-N 3.47Å; E7-L9 VanDerWaalsContact O-N 3.16Å
8E73.5Confident69.6Low147 Ų147106 Ų10669%0.68753%0.534SS*.  trans-59.1118.4177-169.8175.1-172.700108.7D6 L10D6-E8 PolarHBondContact O-N 3.4Å; E8-L10 HydrophobicContact CG-CD2 4Å; E8-L10 HydrophobicContact CG-CG 4.44Å; E8-L10 PolarHBondContact O-N 3.43Å
9L82.6Confident70.6Confident47 Ų47109.4 Ų109.425%0.24655%0.548CS..  trans-71.494.6177.1-74.2176.3000109.3E7 V77 K81 K84E7-L9 PolarHBondContact O-N 3.47Å; E7-L9 VanDerWaalsContact O-N 3.16Å; L9-V77 HydrophobicContact CB-CG1 4.13Å; L9-V77 WeakPolarHBondContact O-CG1 3.13Å; L9-K81 HydrophobicContact CB-CD 4.47Å; L9-K81 HydrophobicContact CB-CG 3.95Å; L9-K81 HydrophobicContact CD1-CB 4.43Å; L9-K81 HydrophobicContact CD1-CG 3.66Å; L9-K81 HydrophobicContact CG-CG 4.43Å; L9-K81 WeakPolarHBondContact O-CE 3.37Å; L9-K81 PolarHBondContact O-NZ 2.87Å; L9-K84 HydrophobicContact CD1-CD 3.7Å; L9-K84 HydrophobicContact CG-CD 4.37Å
10L92.3Very high71.9Confident46 Ų46108.9 Ų108.924%0.24154%0.544CS..  trans-88.4155.1175.6-61.2176.5000111.6E8 H12 P23E8-L10 HydrophobicContact CG-CD2 4Å; E8-L10 HydrophobicContact CG-CG 4.44Å; E8-L10 PolarHBondContact O-N 3.43Å; L10-H12 PolarHBondContact O-CE1 3.2Å; L10-H12 VanDerWaalsContact O-CE1 3.23Å; L10-H12 PolarHBondContact O-ND1 3.17Å; L10-H12 VanDerWaalsContact O-ND1 3.12Å; L10-P23 HydrophobicContact CD2-CB 4.42Å
11L93.5Very high73Confident1 Ų1106.4 Ų106.41%0.00554%0.537CS..EExtended strand (participates in β ladder)trans-79.8141.3169.5-6285000109.2S21 F22 L28 E73 D74L11-S21 CarbonylContact O-C 3.53Å; L11-S21 WeakPolarHBondContact O-CA 3.48Å; L11-F22 WeakPolarHBondContact CD1-O 3.38Å; L11-F22 PolarHBondContact N-O 2.84Å; L11-F22 PolarHBondContact O-N 3.47Å; L11-L28 HydrophobicContact CB-CD2 4.02Å; L11-L28 HydrophobicContact CD2-CD2 3.9Å; L11-E73 HydrophobicContact CB-CG 4.44Å; L11-D74 HydrophobicContact CD2-CB 3.61Å
12H94Very high76Confident85 Ų8595.8 Ų95.839%0.39448%0.484SS..EExtended strand (participates in β ladder)trans-114.8135.2179.9-6279.6000110.6L10 R14L10-H12 PolarHBondContact O-CE1 3.2Å; L10-H12 VanDerWaalsContact O-CE1 3.23Å; L10-H12 PolarHBondContact O-ND1 3.17Å; L10-H12 VanDerWaalsContact O-ND1 3.12Å; H12-R14 HydrophobicContact CB-CG 4.33Å; H12-R14 PolarHBondContact O-N 3.42Å
13C94Very high78.8Confident3 Ų388.5 Ų88.52%0.0246%0.458CS..  trans-76115.6163.7-175.10000107.9C18 Q20 F22 L28 H36C13-C18 HydrophobicContact CB-CB 4.34Å; C13-C18 VanDerWaalsContact SG-SG 3.63Å; C13-Q20 PolarHBondContact N-O 3.34Å; C13-F22 HydrophobicContact CB-CE2 4.03Å; C13-L28 HydrophobicContact CB-CD1 3.69Å; C13-H36 VanDerWaalsContact SG-CD2 3.58Å; C13-H36 PolarHBondContact SG-NE2 3.19Å; C13-H36 VanDerWaalsContact SG-NE2 3.41Å
14R92.5Very high81.4Confident86 Ų8687.2 Ų87.233%0.32544%0.439SS..  trans-106.425.4-179.9-45-175.5-177.6-155.31.3112.6H12 W47 D48 E73H12-R14 HydrophobicContact CB-CG 4.33Å; H12-R14 PolarHBondContact O-N 3.42Å; R14-W47 HydrophobicContact CB-CD2 4.21Å; R14-W47 HydrophobicContact CB-CH2 4.48Å; R14-W47 HydrophobicContact CB-CZ2 3.81Å; R14-W47 HydrophobicContact CG-CZ2 3.93Å; R14-D48 HydrophobicContact CB-CB 4.21Å; R14-D48 VanDerWaalsContact CB-CG 3.47Å; R14-D48 WeakPolarHBondContact CB-OD1 3.3Å; R14-D48 WeakPolarHBondContact CD-OD1 3.38Å; R14-D48 WeakPolarHBondContact CD-OD2 3.31Å; R14-D48 WeakPolarHBondContact O-CB 3.22Å; R14-D48 PolarHBondContact O-N 2.98Å; R14-E73 IonicContact CZ-OE1 2.8Å; R14-E73 IonicContact CZ-OE2 3.9Å; R14-E73 IonicContact NE-OE1 3.05Å; R14-E73 PolarHBondContact NE-OE1 3.02Å; R14-E73 IonicContact NE-OE2 3.17Å; R14-E73 PolarHBondContact NE-OE2 3.35Å; R14-E73 IonicContact NH2-OE1 3.61Å; R14-E73 PolarHBondContact NH2-OE1 3.28Å; R14-E73 IonicContact NH2-OE2 3.43Å; R14-E73 PolarHBondContact NH2-OE2 2.92Å
15W91.5Very high84.1Confident18 Ų1884 Ų847%0.06840%0.404CS..BIsolated β-bridgetrans-62.5147.4165.4-163.5-100.2000109.4D17 C18 F32 H36 V40 L46 W47 T66W15-D17 PolarHBondContact O-N 3.06Å; W15-C18 HydrophobicContact CB-CB 4.1Å; W15-C18 WeakPolarHBondContact O-CB 3.45Å; W15-C18 PolarHBondContact O-N 3.45Å; W15-F32 HydrophobicContact CD2-CE2 4.08Å; W15-F32 AromaticContact CE3-CE2 3.46Å; W15-F32 HydrophobicContact CE3-CE2 3.46Å; W15-F32 VanDerWaalsContact CE3-CE2 3.46Å; W15-F32 AromaticContact CE3-CZ 3.94Å; W15-F32 HydrophobicContact CE3-CZ 3.94Å; W15-F32 HydrophobicContact CH2-CZ 4.41Å; W15-F32 AromaticContact CZ3-CE2 3.79Å; W15-F32 HydrophobicContact CZ3-CE2 3.79Å; W15-F32 AromaticContact CZ3-CZ 3.74Å; W15-F32 HydrophobicContact CZ3-CZ 3.74Å; W15-H36 AromaticContact CD1-CE1 3.83Å; W15-H36 AromaticContact CD1-CG 3.55Å; W15-H36 AromaticContact CD1-ND1 3.2Å; W15-H36 HydrophobicContact CD2-CB 3.96Å; W15-H36 HydrophobicContact CG-CB 3.97Å; W15-H36 AromaticContact CG-CG 3.6Å; W15-H36 AromaticContact CG-ND1 3.69Å; W15-H36 HydrophobicContact CZ2-CB 4.43Å; W15-H36 AromaticContact NE1-CG 3.97Å; W15-H36 AromaticContact NE1-ND1 3.75Å; W15-V40 HydrophobicContact CH2-CG2 4.15Å; W15-V40 HydrophobicContact CZ2-CG1 4.25Å; W15-V40 HydrophobicContact CZ2-CG2 3.78Å; W15-L46 HydrophobicContact CD2-CB 4.01Å; W15-L46 HydrophobicContact CE3-CB 4.33Å; W15-L46 HydrophobicContact CH2-CB 4.14Å; W15-L46 HydrophobicContact CH2-CG 4.43Å; W15-L46 HydrophobicContact CZ2-CB 3.73Å; W15-L46 HydrophobicContact CZ2-CD1 3.95Å; W15-L46 HydrophobicContact CZ2-CG 3.91Å; W15-L46 HydrophobicContact CZ3-CB 4.41Å; W15-W47 HydrophobicContact CE3-CE3 4.35Å; W15-T66 HydrophobicContact CH2-CG2 4.24Å; W15-T66 HydrophobicContact CZ3-CG2 3.73Å
16F89Confident86.5Confident156 Ų15677.9 Ų77.968%0.68439%0.385SS*.THydrogen-bonded Turntrans-52.1129.5177.6-177.7-99000110.5C18 L46F16-C18 PolarHBondContact O-N 3.27Å; F16-L46 HydrophobicContact CB-CB 3.87Å; F16-L46 WeakPolarHBondContact CB-O 3.36Å; F16-L46 PolarHBondContact N-O 3.13Å
17D86.6Confident88.4Confident136 Ų13678 Ų7873%0.72737%0.374SS*.THydrogen-bonded Turntrans62.622.5-177.2-154.832.4000115.2W15W15-D17 PolarHBondContact O-N 3.06Å
18C92Very high89.9Confident12 Ų1270 Ų708%0.08134%0.337CS..  trans-109.3130.4170-162.30000111.7C13 W15 F16 H31 H36C13-C18 HydrophobicContact CB-CB 4.34Å; C13-C18 VanDerWaalsContact SG-SG 3.63Å; W15-C18 HydrophobicContact CB-CB 4.1Å; W15-C18 WeakPolarHBondContact O-CB 3.45Å; W15-C18 PolarHBondContact O-N 3.45Å; F16-C18 PolarHBondContact O-N 3.27Å; C18-H31 PolarHBondContact SG-NE2 2.87Å; C18-H36 PolarHBondContact SG-NE2 3.2Å; C18-H36 VanDerWaalsContact SG-NE2 3.41Å
19H88.9Confident90.6Very high170 Ų17064.5 Ų64.579%0.78731%0.311SS*.  trans-122.718.4178.8-59.4-50.7000112.7
20Q95.1Very high90.8Very high99 Ų9965.2 Ų65.246%0.46332%0.317SS..  trans-81.5140.1-177.9-62.5-167.827.400112C13 F22 H31C13-Q20 PolarHBondContact N-O 3.34Å; Q20-F22 HydrophobicContact CB-CE2 3.63Å; Q20-F22 HydrophobicContact CB-CZ 3.61Å; Q20-H31 PolarHBondContact NE2-CE1 3.33Å; Q20-H31 PolarHBondContact OE1-CE1 2.98Å; Q20-H31 PolarHBondContact OE1-ND1 2.86Å
21S94.9Very high90.8Very high57 Ų5763.6 Ų63.640%0.39931%0.308SS..EExtended strand (participates in β ladder)trans-117.1147175.9620000111.4L11L11-S21 CarbonylContact O-C 3.53Å; L11-S21 WeakPolarHBondContact O-CA 3.48Å
22F93.9Very high90.5Very high22 Ų2263.6 Ų63.610%0.09631%0.308CS..EExtended strand (participates in β ladder)trans-132.9144.9-172.3-59.5-84.3000111.7L11 C13 Q20 N24 R27 L28 H31L11-F22 WeakPolarHBondContact CD1-O 3.38Å; L11-F22 PolarHBondContact N-O 2.84Å; L11-F22 PolarHBondContact O-N 3.47Å; C13-F22 HydrophobicContact CB-CE2 4.03Å; Q20-F22 HydrophobicContact CB-CE2 3.63Å; Q20-F22 HydrophobicContact CB-CZ 3.61Å; F22-N24 VanDerWaalsContact C-N 3.34Å; F22-R27 HydrophobicContact CB-CB 4.28Å; F22-R27 HydrophobicContact CD1-CB 3.73Å; F22-R27 HydrophobicContact CG-CB 4.37Å; F22-L28 HydrophobicContact CB-CB 4.02Å; F22-L28 HydrophobicContact CD2-CB 3.86Å; F22-L28 HydrophobicContact CD2-CD1 3.64Å; F22-L28 HydrophobicContact CD2-CG 4.34Å; F22-L28 HydrophobicContact CE2-CD1 3.85Å; F22-L28 HydrophobicContact CG-CB 3.96Å; F22-H31 HydrophobicContact CE1-CB 3.65Å; F22-H31 AromaticContact CE1-CG 3.95Å; F22-H31 HydrophobicContact CE2-CB 4.14Å; F22-H31 AromaticContact CE2-CD2 3.56Å; F22-H31 AromaticContact CE2-CG 3.83Å; F22-H31 HydrophobicContact CZ-CB 3.37Å; F22-H31 AromaticContact CZ-CD2 3.4Å; F22-H31 WeakPolarHBondContact CZ-CD2 3.48Å; F22-H31 AromaticContact CZ-CG 3.17Å; F22-H31 AromaticContact CZ-ND1 3.71Å
23P90.3Very high90.2Very high58 Ų5861.8 Ų61.838%0.37730%0.301SS..SBendtrans-77.1-20.9-179.530.7-35.8000113.3L10L10-P23 HydrophobicContact CD2-CB 4.42Å
24N87.7Confident89.9Confident64 Ų6467.6 Ų67.634%0.34233%0.328SS..SBendtrans-151.4163-178.361.860.4000111.9F22 I26 R27 L28F22-N24 VanDerWaalsContact C-N 3.34Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.38Å; N24-I26 PolarHBondContact OD1-N 3.28Å; N24-R27 PolarHBondContact O-N 3.26Å; N24-R27 PolarHBondContact OD1-N 3.38Å; N24-L28 PolarHBondContact O-N 3.2Å
25Y89.7Confident89.8Confident8 Ų866.2 Ų66.23%0.03133%0.331CS..Hα-helixtrans-55.4-43.5179.1174.5-95.5000113.4R27 L28 H29 F71 D74 S136 Y138Y25-R27 VanDerWaalsContact C-N 3.32Å; Y25-R27 PolarHBondContact O-N 2.9Å; Y25-L28 PolarHBondContact O-N 3.37Å; Y25-H29 HydrophobicContact CD1-CB 4.34Å; Y25-H29 HydrophobicContact CE1-CB 3.92Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CZ-ND1 3.46Å; Y25-H29 VanDerWaalsContact O-CB 3.28Å; Y25-H29 WeakPolarHBondContact O-CB 3.42Å; Y25-H29 PolarHBondContact O-N 2.78Å; Y25-H29 PolarHBondContact OH-ND1 3.19Å; Y25-F71 HydrophobicContact CE2-CB 4.26Å; Y25-D74 HydrophobicContact CD2-CB 3.92Å; Y25-D74 HydrophobicContact CG-CB 4.49Å; Y25-S136 PolarHBondContact OH-OG 2.78Å; Y25-Y138 AromaticContact CD1-CD1 3.73Å; Y25-Y138 HydrophobicContact CD1-CD1 3.73Å; Y25-Y138 AromaticContact CD1-CD2 3.42Å; Y25-Y138 HydrophobicContact CD1-CD2 3.42Å; Y25-Y138 VanDerWaalsContact CD1-CD2 3.42Å; Y25-Y138 HydrophobicContact CD1-CE1 4Å; Y25-Y138 AromaticContact CD1-CE2 3.7Å; Y25-Y138 HydrophobicContact CD1-CE2 3.7Å; Y25-Y138 AromaticContact CD1-CG 3.43Å; Y25-Y138 HydrophobicContact CD1-CG 3.43Å; Y25-Y138 VanDerWaalsContact CD1-CG 3.43Å; Y25-Y138 AromaticContact CD1-CZ 3.99Å; Y25-Y138 AromaticContact CE1-CD1 3.4Å; Y25-Y138 HydrophobicContact CE1-CD1 3.4Å; Y25-Y138 AromaticContact CE1-CD2 3.63Å; Y25-Y138 HydrophobicContact CE1-CD2 3.63Å; Y25-Y138 HydrophobicContact CE1-CE1 4.1Å; Y25-Y138 HydrophobicContact CE1-CE2 4.29Å; Y25-Y138 AromaticContact CE1-CG 3.12Å; Y25-Y138 HydrophobicContact CE1-CG 3.12Å; Y25-Y138 AromaticContact CG-CD2 3.96Å; Y25-Y138 HydrophobicContact CG-CD2 3.96Å; Y25-Y138 HydrophobicContact CG-CE2 4.25Å; Y25-Y138 HydrophobicContact CG-CG 4.32Å; Y25-Y138 AromaticContact CZ-CG 3.79Å; Y25-Y138 WeakPolarHBondContact OH-CB 3.5Å
26I85.3Confident89.7Confident98 Ų9866.6 Ų66.650%0.50333%0.333SS..Hα-helixtrans-59.4-44.7-174.6-60.3173.1000110.7N24 H29 V30N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.38Å; N24-I26 PolarHBondContact OD1-N 3.28Å; I26-H29 PolarHBondContact O-N 3.33Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.42Å
27R90.5Very high89.4Confident158 Ų15859.4 Ų59.460%0.59630%0.302SS*.Hα-helixtrans-67.4-40.4178.2-68.7-171.5175.5-175.3-0112.8F22 N24 Y25 H29 H31F22-R27 HydrophobicContact CB-CB 4.28Å; F22-R27 HydrophobicContact CD1-CB 3.73Å; F22-R27 HydrophobicContact CG-CB 4.37Å; N24-R27 PolarHBondContact O-N 3.26Å; N24-R27 PolarHBondContact OD1-N 3.38Å; Y25-R27 VanDerWaalsContact C-N 3.32Å; Y25-R27 PolarHBondContact O-N 2.9Å; R27-H29 VanDerWaalsContact C-N 3.33Å; R27-H31 WeakPolarHBondContact O-CB 3.27Å; R27-H31 PolarHBondContact O-N 2.95Å
28L90.9Very high89Confident0 Ų058.3 Ų58.30%030%0.296CS..Hα-helixtrans-62.1-42.7173.6172.161.7000111.1L11 C13 F22 N24 Y25 H31 F32 T70L11-L28 HydrophobicContact CB-CD2 4.02Å; L11-L28 HydrophobicContact CD2-CD2 3.9Å; C13-L28 HydrophobicContact CB-CD1 3.69Å; F22-L28 HydrophobicContact CB-CB 4.02Å; F22-L28 HydrophobicContact CD2-CB 3.86Å; F22-L28 HydrophobicContact CD2-CD1 3.64Å; F22-L28 HydrophobicContact CD2-CG 4.34Å; F22-L28 HydrophobicContact CE2-CD1 3.85Å; F22-L28 HydrophobicContact CG-CB 3.96Å; N24-L28 PolarHBondContact O-N 3.2Å; Y25-L28 PolarHBondContact O-N 3.37Å; L28-H31 PolarHBondContact O-N 3.47Å; L28-F32 VanDerWaalsContact O-CB 3.24Å; L28-F32 WeakPolarHBondContact O-CB 3.21Å; L28-F32 PolarHBondContact O-N 3.19Å; L28-T70 HydrophobicContact CD2-CG2 4.29Å; L28-T70 HydrophobicContact CG-CG2 4.16Å
29H87.6Confident88.1Confident30 Ų3063.2 Ų63.214%0.13932%0.321CS..Hα-helixtrans-61.5-49.6-179.7-176.298.7000111.6Y25 I26 R27 F32 L33 L67Y25-H29 HydrophobicContact CD1-CB 4.34Å; Y25-H29 HydrophobicContact CE1-CB 3.92Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CZ-ND1 3.46Å; Y25-H29 VanDerWaalsContact O-CB 3.28Å; Y25-H29 WeakPolarHBondContact O-CB 3.42Å; Y25-H29 PolarHBondContact O-N 2.78Å; Y25-H29 PolarHBondContact OH-ND1 3.19Å; I26-H29 PolarHBondContact O-N 3.33Å; R27-H29 VanDerWaalsContact C-N 3.33Å; H29-F32 PolarHBondContact O-N 2.74Å; H29-L33 WeakPolarHBondContact NE2-CD1 3.39Å; H29-L33 WeakPolarHBondContact O-CG 3.45Å; H29-L33 PolarHBondContact O-N 2.9Å; H29-L67 WeakPolarHBondContact CE1-CD2 3.4Å
30V87.2Confident87.5Confident62 Ų6256.6 Ų56.638%0.37629%0.293SS..Hα-helixtrans-61.6-49.2177.3173.50000110.9I26 F32 L33 E34I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 3.42Å; V30-F32 VanDerWaalsContact C-N 3.26Å; V30-F32 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 3.34Å; V30-E34 HydrophobicContact CG1-CG 4.25Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.31Å; V30-E34 WeakPolarHBondContact O-CB 3.3Å; V30-E34 WeakPolarHBondContact O-CG 3.26Å; V30-E34 PolarHBondContact O-N 3.12Å
31H91.7Very high86.4Confident13 Ų1357.8 Ų57.86%0.0631%0.309CS..Hα-helixtrans-54.7-44.2175.6166.174.8000112.1C18 Q20 F22 R27 L28 C35 H36C18-H31 PolarHBondContact SG-NE2 2.87Å; Q20-H31 PolarHBondContact NE2-CE1 3.33Å; Q20-H31 PolarHBondContact OE1-CE1 2.98Å; Q20-H31 PolarHBondContact OE1-ND1 2.86Å; F22-H31 HydrophobicContact CE1-CB 3.65Å; F22-H31 AromaticContact CE1-CG 3.95Å; F22-H31 HydrophobicContact CE2-CB 4.14Å; F22-H31 AromaticContact CE2-CD2 3.56Å; F22-H31 AromaticContact CE2-CG 3.83Å; F22-H31 HydrophobicContact CZ-CB 3.37Å; F22-H31 AromaticContact CZ-CD2 3.4Å; F22-H31 WeakPolarHBondContact CZ-CD2 3.48Å; F22-H31 AromaticContact CZ-CG 3.17Å; F22-H31 AromaticContact CZ-ND1 3.71Å; R27-H31 WeakPolarHBondContact O-CB 3.27Å; R27-H31 PolarHBondContact O-N 2.95Å; L28-H31 PolarHBondContact O-N 3.47Å; H31-C35 PolarHBondContact ND1-SG 3.42Å; H31-C35 VanDerWaalsContact ND1-SG 3.42Å; H31-C35 VanDerWaalsContact O-CB 3.25Å; H31-C35 WeakPolarHBondContact O-CB 3.29Å; H31-C35 PolarHBondContact O-N 3.37Å; H31-H36 AromaticContact CD2-NE2 3.9Å; H31-H36 AromaticContact CE1-NE2 3.64Å; H31-H36 AromaticContact NE2-CD2 3.72Å; H31-H36 AromaticContact NE2-NE2 3.03Å; H31-H36 PolarHBondContact NE2-NE2 3.3Å
32F87.8Confident85.8Confident0 Ų061.1 Ų61.10%032%0.319CS..Iπ-helixtrans-63-46.2-178.4-178.7-94.4000112.3W15 L28 H29 V30 H36 L37 W47 T66 L67 T70W15-F32 HydrophobicContact CD2-CE2 4.08Å; W15-F32 AromaticContact CE3-CE2 3.46Å; W15-F32 HydrophobicContact CE3-CE2 3.46Å; W15-F32 VanDerWaalsContact CE3-CE2 3.46Å; W15-F32 AromaticContact CE3-CZ 3.94Å; W15-F32 HydrophobicContact CE3-CZ 3.94Å; W15-F32 HydrophobicContact CH2-CZ 4.41Å; W15-F32 AromaticContact CZ3-CE2 3.79Å; W15-F32 HydrophobicContact CZ3-CE2 3.79Å; W15-F32 AromaticContact CZ3-CZ 3.74Å; W15-F32 HydrophobicContact CZ3-CZ 3.74Å; L28-F32 VanDerWaalsContact O-CB 3.24Å; L28-F32 WeakPolarHBondContact O-CB 3.21Å; L28-F32 PolarHBondContact O-N 3.19Å; H29-F32 PolarHBondContact O-N 2.74Å; V30-F32 VanDerWaalsContact C-N 3.26Å; V30-F32 PolarHBondContact O-N 3.34Å; F32-H36 HydrophobicContact CD2-CB 4.23Å; F32-H36 AromaticContact CD2-CD2 3.97Å; F32-H36 HydrophobicContact CE2-CB 4Å; F32-H36 HydrophobicContact CZ-CB 4.49Å; F32-H36 WeakPolarHBondContact O-CB 3.41Å; F32-H36 PolarHBondContact O-N 3.11Å; F32-H36 VanDerWaalsContact O-N 3.15Å; F32-L37 HydrophobicContact CE1-CB 4.03Å; F32-L37 PolarHBondContact O-N 3.49Å; F32-L37 VanDerWaalsContact O-N 3.1Å; F32-W47 HydrophobicContact CD2-CZ3 4.12Å; F32-W47 HydrophobicContact CE2-CE3 4.29Å; F32-W47 HydrophobicContact CE2-CZ3 4.23Å; F32-T66 HydrophobicContact CE1-CG2 4.46Å; F32-T66 VanDerWaalsContact CE1-OG1 3.31Å; F32-T66 WeakPolarHBondContact CE1-OG1 3.23Å; F32-T66 HydrophobicContact CZ-CG2 3.9Å; F32-L67 HydrophobicContact CD1-CD2 4.39Å; F32-T70 HydrophobicContact CB-CG2 4Å; F32-T70 HydrophobicContact CD1-CG2 4.3Å; F32-T70 HydrophobicContact CD2-CG2 4.1Å; F32-T70 HydrophobicContact CG-CG2 3.82Å
33L86.5Confident85.6Confident47 Ų4762.7 Ų62.725%0.24633%0.328CS..Iπ-helixtrans-63.7-47.9177.9-68.9179.4000111.7H29 V30 L37 N38 L63 L67H29-L33 WeakPolarHBondContact NE2-CD1 3.39Å; H29-L33 WeakPolarHBondContact O-CG 3.45Å; H29-L33 PolarHBondContact O-N 2.9Å; V30-L33 PolarHBondContact O-N 3.34Å; L33-L37 HydrophobicContact CD2-CD2 3.73Å; L33-N38 PolarHBondContact O-N 3.36Å; L33-N38 PolarHBondContact O-ND2 2.95Å; L33-L63 HydrophobicContact CD2-CD1 3.78Å; L33-L67 HydrophobicContact CD2-CD2 4.23Å
34E88.4Confident85.6Confident126 Ų12661 Ų6159%0.58932%0.317SS*.Iπ-helixtrans-74.3-41.1-172.9-68.8-179.9170.500113.3V30V30-E34 HydrophobicContact CG1-CG 4.25Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.31Å; V30-E34 WeakPolarHBondContact O-CB 3.3Å; V30-E34 WeakPolarHBondContact O-CG 3.26Å; V30-E34 PolarHBondContact O-N 3.12Å
35C89.5Confident85.8Confident56 Ų5658.4 Ų58.438%0.37830%0.303SS..Iπ-helixtrans-90.4-37.2-173.5-61.60000113.2H31 N39H31-C35 PolarHBondContact ND1-SG 3.42Å; H31-C35 VanDerWaalsContact ND1-SG 3.42Å; H31-C35 VanDerWaalsContact O-CB 3.25Å; H31-C35 WeakPolarHBondContact O-CB 3.29Å; H31-C35 PolarHBondContact O-N 3.37Å; C35-N39 PolarHBondContact O-ND2 3.4Å
36H89.7Confident85.9Confident26 Ų2661.1 Ų61.112%0.1232%0.318CS..Iπ-helixtrans-108.4-59-168.3-57.7-52.8000112.1C13 W15 C18 H31 F32 N38 N39 V40C13-H36 VanDerWaalsContact SG-CD2 3.58Å; C13-H36 PolarHBondContact SG-NE2 3.19Å; C13-H36 VanDerWaalsContact SG-NE2 3.41Å; W15-H36 AromaticContact CD1-CE1 3.83Å; W15-H36 AromaticContact CD1-CG 3.55Å; W15-H36 AromaticContact CD1-ND1 3.2Å; W15-H36 HydrophobicContact CD2-CB 3.96Å; W15-H36 HydrophobicContact CG-CB 3.97Å; W15-H36 AromaticContact CG-CG 3.6Å; W15-H36 AromaticContact CG-ND1 3.69Å; W15-H36 HydrophobicContact CZ2-CB 4.43Å; W15-H36 AromaticContact NE1-CG 3.97Å; W15-H36 AromaticContact NE1-ND1 3.75Å; C18-H36 PolarHBondContact SG-NE2 3.2Å; C18-H36 VanDerWaalsContact SG-NE2 3.41Å; H31-H36 AromaticContact CD2-NE2 3.9Å; H31-H36 AromaticContact CE1-NE2 3.64Å; H31-H36 AromaticContact NE2-CD2 3.72Å; H31-H36 AromaticContact NE2-NE2 3.03Å; H31-H36 PolarHBondContact NE2-NE2 3.3Å; F32-H36 HydrophobicContact CD2-CB 4.23Å; F32-H36 AromaticContact CD2-CD2 3.97Å; F32-H36 HydrophobicContact CE2-CB 4Å; F32-H36 HydrophobicContact CZ-CB 4.49Å; F32-H36 WeakPolarHBondContact O-CB 3.41Å; F32-H36 PolarHBondContact O-N 3.11Å; F32-H36 VanDerWaalsContact O-N 3.15Å; H36-N38 PolarHBondContact O-N 3.2Å; H36-N39 PolarHBondContact O-N 3.3Å; H36-N39 VanDerWaalsContact O-N 3.12Å; H36-V40 WeakPolarHBondContact O-CG2 3.16Å; H36-V40 PolarHBondContact O-N 2.65Å
37L83.7Confident86.2Confident5 Ų556.9 Ų56.93%0.02630%0.295CS..G310 helixtrans-66-39.2-170-170.169.6000113.3F32 L33 N39 L62 L63F32-L37 HydrophobicContact CE1-CB 4.03Å; F32-L37 PolarHBondContact O-N 3.49Å; F32-L37 VanDerWaalsContact O-N 3.1Å; L33-L37 HydrophobicContact CD2-CD2 3.73Å; L37-N39 PolarHBondContact O-N 2.79Å; L37-L62 HydrophobicContact CD1-CD2 4.11Å; L37-L62 HydrophobicContact CD1-CG 4.06Å; L37-L63 HydrophobicContact CD2-CB 3.93Å; L37-L63 HydrophobicContact CD2-CD1 3.18Å; L37-L63 HydrophobicContact CD2-CG 4.09Å
38N77.4Confident86Confident113 Ų11354.4 Ų54.460%0.60429%0.294SS*.G310 helixtrans-68.1-13.9178.8-70.2-18.5000113.6L33 H36L33-N38 PolarHBondContact O-N 3.36Å; L33-N38 PolarHBondContact O-ND2 2.95Å; H36-N38 PolarHBondContact O-N 3.2Å
39N73.7Confident85.8Confident115 Ų11557.6 Ų57.662%0.61532%0.316SS*.G310 helixtrans-118.213.3-172.3-60.8-47.1000113.4C35 H36 L37 P41C35-N39 PolarHBondContact O-ND2 3.4Å; H36-N39 PolarHBondContact O-N 3.3Å; H36-N39 VanDerWaalsContact O-N 3.12Å; L37-N39 PolarHBondContact O-N 2.79Å; N39-P41 WeakPolarHBondContact O-CD 3.49Å
40V75.5Confident85.8Confident31 Ų3156.8 Ų56.819%0.18831%0.314CS..  trans-77.7120.1-175.9-159.50000110.7W15 H36 E42 L62W15-V40 HydrophobicContact CH2-CG2 4.15Å; W15-V40 HydrophobicContact CZ2-CG1 4.25Å; W15-V40 HydrophobicContact CZ2-CG2 3.78Å; H36-V40 WeakPolarHBondContact O-CG2 3.16Å; H36-V40 PolarHBondContact O-N 2.65Å; V40-E42 VanDerWaalsContact C-N 3.33Å; V40-E42 WeakPolarHBondContact CG1-O 3.31Å; V40-E42 PolarHBondContact O-N 3.36Å; V40-L62 HydrophobicContact CG2-CD2 4.45Å
41P72.6Confident85.1Confident125 Ų12561.7 Ų61.781%0.81233%0.333SS*.SBendtrans-72.6-25-176.427.1-33.9000113.6N39N39-P41 WeakPolarHBondContact O-CD 3.49Å
42E82.5Confident84Confident127 Ų12764.9 Ų64.959%0.59335%0.346SS*.SBendtrans-132.2150.8179.3-66.1-177.5177.400109.3V40 V44V40-E42 VanDerWaalsContact C-N 3.33Å; V40-E42 WeakPolarHBondContact CG1-O 3.31Å; V40-E42 PolarHBondContact O-N 3.36Å; E42-V44 HydrophobicContact CB-CG1 4.3Å; E42-V44 HydrophobicContact CB-CG2 4.01Å; E42-V44 PolarHBondContact O-N 2.94Å
43L89.8Confident83.1Confident54 Ų5472 Ų7228%0.28339%0.385SS..SBendtrans-74.561.1179.6-66179.9000111.6T55 F56 H59 L62L43-T55 HydrophobicContact CB-CG2 4.4Å; L43-T55 CarbonylContact O-C 3.51Å; L43-T55 WeakPolarHBondContact O-CA 3.2Å; L43-F56 HydrophobicContact CB-CB 4.19Å; L43-F56 WeakPolarHBondContact CB-O 3.46Å; L43-F56 WeakPolarHBondContact CD1-O 3.4Å; L43-F56 WeakPolarHBondContact O-CD2 3.34Å; L43-F56 PolarHBondContact O-N 2.95Å; L43-H59 HydrophobicContact CD2-CB 4.16Å; L43-L62 HydrophobicContact CD2-CD2 4.24Å
44V90.7Very high82.7Confident24 Ų2473.4 Ų73.415%0.14539%0.392CS..BIsolated β-bridgetrans-127.7146.3-175.9-63.60000110.6E42 L46 T55 L62E42-V44 HydrophobicContact CB-CG1 4.3Å; E42-V44 HydrophobicContact CB-CG2 4.01Å; E42-V44 PolarHBondContact O-N 2.94Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.38Å; V44-T55 HydrophobicContact CG1-CG2 4.35Å; V44-L62 WeakPolarHBondContact O-CD1 3.48Å
45C91.4Very high82.6Confident8 Ų872.3 Ų72.35%0.05439%0.394CS..  trans-85.2124.5174.5-178.10000110W47 F56 L62 H65 T66C45-W47 VanDerWaalsContact SG-CB 3.54Å; C45-F56 HydrophobicContact CB-CE2 4.14Å; C45-L62 HydrophobicContact CB-CD1 4.23Å; C45-H65 VanDerWaalsContact SG-CD2 3.55Å; C45-H65 PolarHBondContact SG-NE2 3.16Å; C45-H65 VanDerWaalsContact SG-NE2 3.39Å; C45-T66 HydrophobicContact CB-CG2 4.5Å
46L91.1Very high82.6Confident66 Ų6670.2 Ų70.235%0.34638%0.379SS..  trans-106.524.9176.5-54.4176.5000112.3W15 F16 V44W15-L46 HydrophobicContact CD2-CB 4.01Å; W15-L46 HydrophobicContact CE3-CB 4.33Å; W15-L46 HydrophobicContact CH2-CB 4.14Å; W15-L46 HydrophobicContact CH2-CG 4.43Å; W15-L46 HydrophobicContact CZ2-CB 3.73Å; W15-L46 HydrophobicContact CZ2-CD1 3.95Å; W15-L46 HydrophobicContact CZ2-CG 3.91Å; W15-L46 HydrophobicContact CZ3-CB 4.41Å; F16-L46 HydrophobicContact CB-CB 3.87Å; F16-L46 WeakPolarHBondContact CB-O 3.36Å; F16-L46 PolarHBondContact N-O 3.13Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.38Å
47W91.4Very high82.5Confident9 Ų976.9 Ų76.93%0.03441%0.41CS..BIsolated β-bridgetrans-75.1131.4175.1-164.3-85000110.3R14 W15 F32 C45 S49 C50 H69 T70 E73R14-W47 HydrophobicContact CB-CD2 4.21Å; R14-W47 HydrophobicContact CB-CH2 4.48Å; R14-W47 HydrophobicContact CB-CZ2 3.81Å; R14-W47 HydrophobicContact CG-CZ2 3.93Å; W15-W47 HydrophobicContact CE3-CE3 4.35Å; F32-W47 HydrophobicContact CD2-CZ3 4.12Å; F32-W47 HydrophobicContact CE2-CE3 4.29Å; F32-W47 HydrophobicContact CE2-CZ3 4.23Å; C45-W47 VanDerWaalsContact SG-CB 3.54Å; W47-S49 VanDerWaalsContact CD1-OG 3.26Å; W47-S49 PolarHBondContact NE1-OG 3.36Å; W47-S49 PolarHBondContact O-N 2.58Å; W47-C50 HydrophobicContact CB-CB 4.28Å; W47-C50 WeakPolarHBondContact O-CB 3.49Å; W47-C50 PolarHBondContact O-N 2.99Å; W47-H69 AromaticContact CD1-CE1 3.84Å; W47-H69 AromaticContact CD1-CG 3.76Å; W47-H69 AromaticContact CD1-ND1 3.51Å; W47-H69 HydrophobicContact CD2-CB 3.5Å; W47-H69 AromaticContact CD2-CG 3.79Å; W47-H69 HydrophobicContact CE3-CB 3.77Å; W47-H69 HydrophobicContact CG-CB 3.9Å; W47-H69 AromaticContact CG-CD2 3.8Å; W47-H69 AromaticContact CG-CG 3.6Å; W47-H69 AromaticContact CG-ND1 3.82Å; W47-H69 HydrophobicContact CH2-CB 4.25Å; W47-H69 HydrophobicContact CZ2-CB 4.01Å; W47-H69 HydrophobicContact CZ3-CB 4.14Å; W47-H69 AromaticContact NE1-ND1 3.82Å; W47-T70 HydrophobicContact CH2-CG2 3.97Å; W47-T70 HydrophobicContact CZ3-CG2 3.84Å; W47-E73 HydrophobicContact CZ2-CB 4.47Å
48D87.9Confident82.8Confident105 Ų10581.8 Ų81.856%0.56143%0.433SS*.THydrogen-bonded Turntrans-51.8-31-166.773.7-16.6000116.1R14R14-D48 HydrophobicContact CB-CB 4.21Å; R14-D48 VanDerWaalsContact CB-CG 3.47Å; R14-D48 WeakPolarHBondContact CB-OD1 3.3Å; R14-D48 WeakPolarHBondContact CD-OD1 3.38Å; R14-D48 WeakPolarHBondContact CD-OD2 3.31Å; R14-D48 WeakPolarHBondContact O-CB 3.22Å; R14-D48 PolarHBondContact O-N 2.98Å
49S84.9Confident83.5Confident67 Ų6780.5 Ų80.547%0.46942%0.423SS..THydrogen-bonded Turntrans-108.13.7-172.440.40000112.5W47 Q51W47-S49 VanDerWaalsContact CD1-OG 3.26Å; W47-S49 PolarHBondContact NE1-OG 3.36Å; W47-S49 PolarHBondContact O-N 2.58Å; S49-Q51 PolarHBondContact O-N 3.37Å
50C89Confident84.3Confident14 Ų1478.5 Ų78.510%0.09541%0.412CS..  trans-78.5104.5176.2-163.80000110.4W47 K52 H65W47-C50 HydrophobicContact CB-CB 4.28Å; W47-C50 WeakPolarHBondContact O-CB 3.49Å; W47-C50 PolarHBondContact O-N 2.99Å; C50-K52 PolarHBondContact O-N 2.85Å; C50-H65 VanDerWaalsContact SG-CE1 3.59Å; C50-H65 PolarHBondContact SG-NE2 2.99Å
51Q71.7Confident85.1Confident165 Ų16578 Ų7877%0.77141%0.408SS*.  trans-74-5.6-171.9-64.1-177.3-9.300115S49S49-Q51 PolarHBondContact O-N 3.37Å
52K69.4Low86.1Confident79 Ų7972 Ų7234%0.34337%0.369SS..  trans-117.8110.9-176.6-68.1-171.2-172.6172.20110.6C50 N54 W114C50-K52 PolarHBondContact O-N 2.85Å; K52-N54 PolarHBondContact O-N 3.48Å; K52-W114 HydrophobicContact CB-CH2 4.2Å; K52-W114 HydrophobicContact CB-CZ2 3.52Å; K52-W114 HydrophobicContact CD-CD2 4.12Å; K52-W114 HydrophobicContact CD-CG 4.37Å; K52-W114 HydrophobicContact CD-CZ2 4.17Å; K52-W114 HydrophobicContact CG-CZ2 4.33Å
53N68Low86.5Confident150 Ų15067.1 Ų67.180%0.80235%0.347SS*.  trans-77.253.1168.7-69.1-5.7000110.7
54N79.1Confident86.6Confident76 Ų7665.8 Ų65.841%0.40634%0.338SS..PPolyproline II helixtrans-84.1134174.9-70-11.2000109K52 W114K52-N54 PolarHBondContact O-N 3.48Å; N54-W114 HydrophobicContact CB-CH2 3.78Å; N54-W114 HydrophobicContact CB-CZ3 4.05Å
55T85.9Confident86.7Confident103 Ų10364.7 Ų64.763%0.63233%0.331SS*.BIsolated β-bridgetrans-77.7124.2164.9-44.20000108.7L43 V44L43-T55 HydrophobicContact CB-CG2 4.4Å; L43-T55 CarbonylContact O-C 3.51Å; L43-T55 WeakPolarHBondContact O-CA 3.2Å; V44-T55 HydrophobicContact CG1-CG2 4.35Å
56F89.7Confident86.8Confident12 Ų1264.3 Ų64.35%0.05333%0.329CS..PPolyproline II helixtrans-74149.7172.5-67.2-87.4000110.2L43 C45 Q61 L62 H65 W114 L119L43-F56 HydrophobicContact CB-CB 4.19Å; L43-F56 WeakPolarHBondContact CB-O 3.46Å; L43-F56 WeakPolarHBondContact CD1-O 3.4Å; L43-F56 WeakPolarHBondContact O-CD2 3.34Å; L43-F56 PolarHBondContact O-N 2.95Å; C45-F56 HydrophobicContact CB-CE2 4.14Å; F56-Q61 HydrophobicContact CB-CB 4.22Å; F56-Q61 HydrophobicContact CD1-CB 3.62Å; F56-Q61 HydrophobicContact CE1-CB 4.46Å; F56-Q61 HydrophobicContact CG-CB 4.3Å; F56-L62 HydrophobicContact CB-CB 4.26Å; F56-L62 HydrophobicContact CD2-CB 4Å; F56-L62 HydrophobicContact CD2-CD1 3.65Å; F56-L62 HydrophobicContact CD2-CG 4.42Å; F56-L62 HydrophobicContact CE2-CD1 3.72Å; F56-L62 HydrophobicContact CG-CB 4.11Å; F56-H65 HydrophobicContact CE1-CB 3.77Å; F56-H65 AromaticContact CE1-CG 3.97Å; F56-H65 HydrophobicContact CE2-CB 4.4Å; F56-H65 HydrophobicContact CZ-CB 3.54Å; F56-H65 AromaticContact CZ-CD2 3.63Å; F56-H65 AromaticContact CZ-CG 3.31Å; F56-H65 AromaticContact CZ-ND1 3.63Å; F56-W114 HydrophobicContact CE1-CH2 4.01Å; F56-W114 AromaticContact CE1-CZ3 3.66Å; F56-W114 HydrophobicContact CE1-CZ3 3.66Å; F56-W114 HydrophobicContact CE2-CH2 4.09Å; F56-W114 AromaticContact CZ-CH2 3.42Å; F56-W114 HydrophobicContact CZ-CH2 3.42Å; F56-W114 VanDerWaalsContact CZ-CH2 3.42Å; F56-W114 HydrophobicContact CZ-CZ2 4.39Å; F56-W114 AromaticContact CZ-CZ3 3.58Å; F56-W114 HydrophobicContact CZ-CZ3 3.58Å; F56-L119 HydrophobicContact CE1-CD1 4.28Å; F56-L119 HydrophobicContact CE1-CD2 4.26Å
57Q87.7Confident86.8Confident166 Ų16661.4 Ų61.478%0.77631%0.314SS*.SBendtrans-79.7-31.9-179.9-65.4179.2-3700111.8Q61Q57-Q61 VanDerWaalsContact N-OE1 3.09Å
58E90Very high86.9Confident108 Ų10861.2 Ų61.251%0.50531%0.313SS..SBendtrans-135.2149.3-175.2-60.9-178.216600111.2N60 Q61 L62E58-N60 PolarHBondContact O-N 2.88Å; E58-Q61 HydrophobicContact CB-CG 4.21Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 2.89Å; E58-Q61 VanDerWaalsContact O-N 3.1Å; E58-L62 PolarHBondContact O-N 3.26Å
59H91Very high87.2Confident86 Ų8656.7 Ų56.740%0.39829%0.289SS..Hα-helixtrans-57.2-37177.4-174.6-87.4000112.8L43 Q61 L62 L63L43-H59 HydrophobicContact CD2-CB 4.16Å; H59-Q61 VanDerWaalsContact C-N 3.3Å; H59-Q61 PolarHBondContact O-N 3.13Å; H59-L62 PolarHBondContact O-N 2.7Å; H59-L63 WeakPolarHBondContact O-CB 3.47Å; H59-L63 PolarHBondContact O-N 2.74Å
60N91.1Very high87.6Confident73 Ų7353.5 Ų53.539%0.3927%0.266SS..Hα-helixtrans-64.4-34.2178.7-66.8-23.4000112.5E58 L63 R64E58-N60 PolarHBondContact O-N 2.88Å; N60-L63 PolarHBondContact O-N 3.47Å; N60-R64 WeakPolarHBondContact O-CB 3.44Å; N60-R64 VanDerWaalsContact O-CD 3.25Å; N60-R64 WeakPolarHBondContact O-CD 3.35Å; N60-R64 WeakPolarHBondContact O-CG 3.36Å; N60-R64 PolarHBondContact O-N 3.46Å
61Q92.8Very high87.9Confident21 Ų2153.1 Ų53.110%0.09826%0.263CS..Hα-helixtrans-66.8-43176.1-60.3174.6-700110.7F56 Q57 E58 H59 H65F56-Q61 HydrophobicContact CB-CB 4.22Å; F56-Q61 HydrophobicContact CD1-CB 3.62Å; F56-Q61 HydrophobicContact CE1-CB 4.46Å; F56-Q61 HydrophobicContact CG-CB 4.3Å; Q57-Q61 VanDerWaalsContact N-OE1 3.09Å; E58-Q61 HydrophobicContact CB-CG 4.21Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 2.89Å; E58-Q61 VanDerWaalsContact O-N 3.1Å; H59-Q61 VanDerWaalsContact C-N 3.3Å; H59-Q61 PolarHBondContact O-N 3.13Å; Q61-H65 VanDerWaalsContact O-CB 3.24Å; Q61-H65 WeakPolarHBondContact O-CB 3.1Å; Q61-H65 PolarHBondContact O-N 3.03Å
62L92.5Very high89Confident0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-63.5-46.1174.5177.665000111.4L37 V40 L43 V44 C45 F56 E58 H59 R64 H65 T66L37-L62 HydrophobicContact CD1-CD2 4.11Å; L37-L62 HydrophobicContact CD1-CG 4.06Å; V40-L62 HydrophobicContact CG2-CD2 4.45Å; L43-L62 HydrophobicContact CD2-CD2 4.24Å; V44-L62 WeakPolarHBondContact O-CD1 3.48Å; C45-L62 HydrophobicContact CB-CD1 4.23Å; F56-L62 HydrophobicContact CB-CB 4.26Å; F56-L62 HydrophobicContact CD2-CB 4Å; F56-L62 HydrophobicContact CD2-CD1 3.65Å; F56-L62 HydrophobicContact CD2-CG 4.42Å; F56-L62 HydrophobicContact CE2-CD1 3.72Å; F56-L62 HydrophobicContact CG-CB 4.11Å; E58-L62 PolarHBondContact O-N 3.26Å; H59-L62 PolarHBondContact O-N 2.7Å; L62-R64 PolarHBondContact O-N 3.15Å; L62-H65 PolarHBondContact O-N 2.78Å; L62-T66 HydrophobicContact CD1-CG2 3.72Å; L62-T66 HydrophobicContact CG-CG2 4.26Å; L62-T66 WeakPolarHBondContact O-CB 3.39Å; L62-T66 VanDerWaalsContact O-CG2 3.26Å; L62-T66 WeakPolarHBondContact O-CG2 3.48Å; L62-T66 PolarHBondContact O-N 2.61Å; L62-T66 PolarHBondContact O-OG1 3Å
63L91.7Very high90.2Very high24 Ų2442.2 Ų42.213%0.12621%0.213CC..Hα-helixtrans-53.3-55.1175.2168.564.2000110.8L33 L37 H59 N60 H65 T66 L67 D135L33-L63 HydrophobicContact CD2-CD1 3.78Å; L37-L63 HydrophobicContact CD2-CB 3.93Å; L37-L63 HydrophobicContact CD2-CD1 3.18Å; L37-L63 HydrophobicContact CD2-CG 4.09Å; H59-L63 WeakPolarHBondContact O-CB 3.47Å; H59-L63 PolarHBondContact O-N 2.74Å; N60-L63 PolarHBondContact O-N 3.47Å; L63-H65 PolarHBondContact O-N 2.69Å; L63-T66 PolarHBondContact O-N 3.01Å; L63-T66 PolarHBondContact O-OG1 2.7Å; L63-L67 HydrophobicContact CD1-CD1 3.65Å; L63-L67 HydrophobicContact CD1-CG 3.85Å; L63-L67 HydrophobicContact CG-CD1 4.17Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.2Å; L63-D135 HydrophobicContact CD2-CB 4.02Å; L63-D135 WeakPolarHBondContact CD2-OD2 2.74Å; L63-D135 HydrophobicContact CG-CB 4.27Å
64R91.9Very high91.4Very high26 Ų2636.1 Ų36.110%0.09818%0.181CC..Hα-helixtrans-60.6-45.5179.9-68.6159.6-177.6171.1-2.6112N60 L62 T66 L68 I118 L119 I120 D135N60-R64 WeakPolarHBondContact O-CB 3.44Å; N60-R64 VanDerWaalsContact O-CD 3.25Å; N60-R64 WeakPolarHBondContact O-CD 3.35Å; N60-R64 WeakPolarHBondContact O-CG 3.36Å; N60-R64 PolarHBondContact O-N 3.46Å; L62-R64 PolarHBondContact O-N 3.15Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.22Å; R64-L68 WeakPolarHBondContact O-CG 2.77Å; R64-L68 PolarHBondContact O-N 2.97Å; R64-L68 VanDerWaalsContact O-N 3.12Å; R64-I118 WeakPolarHBondContact CD-O 3.48Å; R64-L119 WeakPolarHBondContact CD-O 3.34Å; R64-L119 PolarHBondContact NH1-O 3.18Å; R64-I120 PolarHBondContact NH1-O 3.35Å; R64-D135 HydrophobicContact CG-CB 3.75Å; R64-D135 IonicContact CZ-OD1 2.89Å; R64-D135 VanDerWaalsContact CZ-OD1 3.23Å; R64-D135 IonicContact NE-OD1 3.22Å; R64-D135 PolarHBondContact NE-OD1 2.59Å; R64-D135 IonicContact NH2-OD1 2.77Å; R64-D135 PolarHBondContact NH2-OD1 2.78Å
65H93Very high92.2Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-59.4-43.6177.6176.386.3000112.2C45 C50 F56 Q61 L62 L63 L68 H69 L113 W114 L119C45-H65 VanDerWaalsContact SG-CD2 3.55Å; C45-H65 PolarHBondContact SG-NE2 3.16Å; C45-H65 VanDerWaalsContact SG-NE2 3.39Å; C50-H65 VanDerWaalsContact SG-CE1 3.59Å; C50-H65 PolarHBondContact SG-NE2 2.99Å; F56-H65 HydrophobicContact CE1-CB 3.77Å; F56-H65 AromaticContact CE1-CG 3.97Å; F56-H65 HydrophobicContact CE2-CB 4.4Å; F56-H65 HydrophobicContact CZ-CB 3.54Å; F56-H65 AromaticContact CZ-CD2 3.63Å; F56-H65 AromaticContact CZ-CG 3.31Å; F56-H65 AromaticContact CZ-ND1 3.63Å; Q61-H65 VanDerWaalsContact O-CB 3.24Å; Q61-H65 WeakPolarHBondContact O-CB 3.1Å; Q61-H65 PolarHBondContact O-N 3.03Å; L62-H65 PolarHBondContact O-N 2.78Å; L63-H65 PolarHBondContact O-N 2.69Å; H65-L68 WeakPolarHBondContact O-CB 3.43Å; H65-L68 PolarHBondContact O-N 3.33Å; H65-H69 AromaticContact CD2-CD2 3.96Å; H65-H69 AromaticContact CD2-NE2 3.82Å; H65-H69 AromaticContact CE1-NE2 3.85Å; H65-H69 AromaticContact NE2-CD2 3.78Å; H65-H69 AromaticContact NE2-NE2 3.16Å; H65-H69 PolarHBondContact NE2-NE2 3.11Å; H65-H69 VanDerWaalsContact NE2-NE2 3.16Å; H65-L113 PolarHBondContact ND1-O 3.2Å; H65-W114 AromaticContact CE1-CE2 3.71Å; H65-W114 AromaticContact CE1-CH2 3.89Å; H65-W114 AromaticContact CE1-CZ2 3.41Å; H65-W114 VanDerWaalsContact CE1-CZ2 3.41Å; H65-W114 WeakPolarHBondContact CE1-CZ2 3.45Å; H65-L119 HydrophobicContact CB-CD2 3.77Å
66T92.2Very high92.6Very high0 Ų028.8 Ų28.80%014%0.138CC..Hα-helixtrans-78.1-34.5-176.6540000113.2W15 F32 C45 L62 L63 R64 L68 H69 T70W15-T66 HydrophobicContact CH2-CG2 4.24Å; W15-T66 HydrophobicContact CZ3-CG2 3.73Å; F32-T66 HydrophobicContact CE1-CG2 4.46Å; F32-T66 VanDerWaalsContact CE1-OG1 3.31Å; F32-T66 WeakPolarHBondContact CE1-OG1 3.23Å; F32-T66 HydrophobicContact CZ-CG2 3.9Å; C45-T66 HydrophobicContact CB-CG2 4.5Å; L62-T66 HydrophobicContact CD1-CG2 3.72Å; L62-T66 HydrophobicContact CG-CG2 4.26Å; L62-T66 WeakPolarHBondContact O-CB 3.39Å; L62-T66 VanDerWaalsContact O-CG2 3.26Å; L62-T66 WeakPolarHBondContact O-CG2 3.48Å; L62-T66 PolarHBondContact O-N 2.61Å; L62-T66 PolarHBondContact O-OG1 3Å; L63-T66 PolarHBondContact O-N 3.01Å; L63-T66 PolarHBondContact O-OG1 2.7Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.22Å; T66-L68 PolarHBondContact O-N 3.23Å; T66-H69 WeakPolarHBondContact O-CB 3.05Å; T66-H69 PolarHBondContact O-N 2.84Å; T66-T70 PolarHBondContact O-N 2.91Å
67L92Very high92.7Very high6 Ų628.8 Ų28.83%0.03114%0.139CC..Hα-helixtrans-63-28.8169.4-72.2-173.9000112.7H29 F32 L33 L63 H69 T70 F71 D135H29-L67 WeakPolarHBondContact CE1-CD2 3.4Å; F32-L67 HydrophobicContact CD1-CD2 4.39Å; L33-L67 HydrophobicContact CD2-CD2 4.23Å; L63-L67 HydrophobicContact CD1-CD1 3.65Å; L63-L67 HydrophobicContact CD1-CG 3.85Å; L63-L67 HydrophobicContact CG-CD1 4.17Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.2Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-T70 PolarHBondContact O-OG1 2.99Å; L67-F71 VanDerWaalsContact O-CB 3.32Å; L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 3.19Å; L67-D135 HydrophobicContact CD1-CB 4.49Å
68L93.4Very high93Very high4 Ų424 Ų242%0.02112%0.118CC..Hα-helixtrans-65.5-36.2171.1-75.7171.1000112.3R64 H65 T66 F71 F72 L113 I118 F123 A137R64-L68 WeakPolarHBondContact O-CG 2.77Å; R64-L68 PolarHBondContact O-N 2.97Å; R64-L68 VanDerWaalsContact O-N 3.12Å; H65-L68 WeakPolarHBondContact O-CB 3.43Å; H65-L68 PolarHBondContact O-N 3.33Å; T66-L68 PolarHBondContact O-N 3.23Å; L68-F71 PolarHBondContact O-N 3.18Å; L68-F72 HydrophobicContact CB-CE2 4.05Å; L68-F72 HydrophobicContact CB-CZ 4.33Å; L68-F72 HydrophobicContact CD2-CE1 4.41Å; L68-F72 HydrophobicContact CD2-CZ 3.98Å; L68-F72 WeakPolarHBondContact O-CB 3.22Å; L68-F72 WeakPolarHBondContact O-CD2 3.28Å; L68-F72 WeakPolarHBondContact O-CG 3.05Å; L68-F72 PolarHBondContact O-N 3.45Å; L68-L113 HydrophobicContact CB-CD2 3.7Å; L68-L113 HydrophobicContact CD1-CD2 4.44Å; L68-I118 HydrophobicContact CD1-CG2 4.14Å; L68-F123 HydrophobicContact CD2-CZ 4.12Å; L68-A137 HydrophobicContact CD2-CB 4.19Å
69H94.2Very high93.1Very high10 Ų1018.9 Ų18.95%0.04610%0.095CC..Hα-helixtrans-63.7-47.7176-76.2-62.7000112.1W47 H65 T66 L67 F71 F72 E73 L113W47-H69 AromaticContact CD1-CE1 3.84Å; W47-H69 AromaticContact CD1-CG 3.76Å; W47-H69 AromaticContact CD1-ND1 3.51Å; W47-H69 HydrophobicContact CD2-CB 3.5Å; W47-H69 AromaticContact CD2-CG 3.79Å; W47-H69 HydrophobicContact CE3-CB 3.77Å; W47-H69 HydrophobicContact CG-CB 3.9Å; W47-H69 AromaticContact CG-CD2 3.8Å; W47-H69 AromaticContact CG-CG 3.6Å; W47-H69 AromaticContact CG-ND1 3.82Å; W47-H69 HydrophobicContact CH2-CB 4.25Å; W47-H69 HydrophobicContact CZ2-CB 4.01Å; W47-H69 HydrophobicContact CZ3-CB 4.14Å; W47-H69 AromaticContact NE1-ND1 3.82Å; H65-H69 AromaticContact CD2-CD2 3.96Å; H65-H69 AromaticContact CD2-NE2 3.82Å; H65-H69 AromaticContact CE1-NE2 3.85Å; H65-H69 AromaticContact NE2-CD2 3.78Å; H65-H69 AromaticContact NE2-NE2 3.16Å; H65-H69 PolarHBondContact NE2-NE2 3.11Å; H65-H69 VanDerWaalsContact NE2-NE2 3.16Å; T66-H69 WeakPolarHBondContact O-CB 3.05Å; T66-H69 PolarHBondContact O-N 2.84Å; L67-H69 VanDerWaalsContact C-N 3.34Å; H69-F71 VanDerWaalsContact C-N 3.29Å; H69-F71 PolarHBondContact O-N 3.34Å; H69-F72 PolarHBondContact O-N 3.06Å; H69-E73 PolarHBondContact O-N 3.38Å; H69-L113 WeakPolarHBondContact CE1-CD1 3.41Å
70T93.5Very high93.1Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-62.8-38.2177.660.40000111.5L28 F32 W47 T66 L67 D74L28-T70 HydrophobicContact CD2-CG2 4.29Å; L28-T70 HydrophobicContact CG-CG2 4.16Å; F32-T70 HydrophobicContact CB-CG2 4Å; F32-T70 HydrophobicContact CD1-CG2 4.3Å; F32-T70 HydrophobicContact CD2-CG2 4.1Å; F32-T70 HydrophobicContact CG-CG2 3.82Å; W47-T70 HydrophobicContact CH2-CG2 3.97Å; W47-T70 HydrophobicContact CZ3-CG2 3.84Å; T66-T70 PolarHBondContact O-N 2.91Å; L67-T70 PolarHBondContact O-OG1 2.99Å; T70-D74 PolarHBondContact O-N 2.74Å
71F94.5Very high93Very high7 Ų716.1 Ų16.13%0.0318%0.081CC..Hα-helixtrans-65.3-40.3174.1177.4-102.6000112.7Y25 L67 L68 H69 D74 C75 A137 I211Y25-F71 HydrophobicContact CE2-CB 4.26Å; L67-F71 VanDerWaalsContact O-CB 3.32Å; L67-F71 WeakPolarHBondContact O-CB 3.36Å; L67-F71 PolarHBondContact O-N 3.19Å; L68-F71 PolarHBondContact O-N 3.18Å; H69-F71 VanDerWaalsContact C-N 3.29Å; H69-F71 PolarHBondContact O-N 3.34Å; F71-D74 PolarHBondContact O-N 3.42Å; F71-C75 VanDerWaalsContact CZ-SG 3.57Å; F71-C75 PolarHBondContact O-N 2.85Å; F71-C75 PolarHBondContact O-SG 3.15Å; F71-A137 HydrophobicContact CB-CB 4.43Å; F71-A137 HydrophobicContact CD1-CB 3.94Å; F71-A137 HydrophobicContact CD2-CB 4.14Å; F71-A137 HydrophobicContact CE1-CB 4.24Å; F71-A137 HydrophobicContact CE2-CB 4.42Å; F71-A137 HydrophobicContact CG-CB 3.89Å; F71-A137 HydrophobicContact CZ-CB 4.47Å; F71-I211 HydrophobicContact CE1-CG2 3.51Å; F71-I211 HydrophobicContact CZ-CG2 3.47Å; F71-I211 VanDerWaalsContact CZ-CG2 3.47Å
72F95Very high92.8Very high7 Ų717.1 Ų17.13%0.0319%0.087CC..Hα-helixtrans-70.3-36.6177.1-66.2-25.5000112.8L68 H69 D74 C75 I76 T109 F112 L113 P212 I215L68-F72 HydrophobicContact CB-CE2 4.05Å; L68-F72 HydrophobicContact CB-CZ 4.33Å; L68-F72 HydrophobicContact CD2-CE1 4.41Å; L68-F72 HydrophobicContact CD2-CZ 3.98Å; L68-F72 WeakPolarHBondContact O-CB 3.22Å; L68-F72 WeakPolarHBondContact O-CD2 3.28Å; L68-F72 WeakPolarHBondContact O-CG 3.05Å; L68-F72 PolarHBondContact O-N 3.45Å; H69-F72 PolarHBondContact O-N 3.06Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-D74 PolarHBondContact O-N 3.18Å; F72-C75 PolarHBondContact O-N 3.24Å; F72-I76 WeakPolarHBondContact O-CB 3.05Å; F72-I76 WeakPolarHBondContact O-CD1 3.41Å; F72-I76 WeakPolarHBondContact O-CG1 3.47Å; F72-I76 PolarHBondContact O-N 2.98Å; F72-T109 HydrophobicContact CB-CG2 4.41Å; F72-T109 HydrophobicContact CD1-CG2 4.43Å; F72-T109 HydrophobicContact CD2-CG2 3.87Å; F72-T109 HydrophobicContact CE2-CG2 4.24Å; F72-T109 HydrophobicContact CG-CG2 3.98Å; F72-F112 HydrophobicContact CE2-CB 4.17Å; F72-F112 HydrophobicContact CZ-CB 3.58Å; F72-F112 HydrophobicContact CZ-CG 4.22Å; F72-L113 HydrophobicContact CD2-CD2 4.14Å; F72-L113 HydrophobicContact CD2-CG 4.33Å; F72-L113 HydrophobicContact CE2-CD2 3.83Å; F72-L113 HydrophobicContact CE2-CG 3.86Å; F72-P212 HydrophobicContact CE1-CG 4.08Å; F72-I215 HydrophobicContact CB-CD1 4.02Å; F72-I215 HydrophobicContact CD1-CD1 3.4Å; F72-I215 HydrophobicContact CE1-CD1 4.15Å; F72-I215 HydrophobicContact CG-CD1 3.92Å
73E94.6Very high92.5Very high8 Ų818.6 Ų18.64%0.0379%0.094CC..Hα-helixtrans-59.1-46.6172.6-173.669.3177.700110.6L11 R14 W47 H69 C75 I76 V77L11-E73 HydrophobicContact CB-CG 4.44Å; R14-E73 IonicContact CZ-OE1 2.8Å; R14-E73 IonicContact CZ-OE2 3.9Å; R14-E73 IonicContact NE-OE1 3.05Å; R14-E73 PolarHBondContact NE-OE1 3.02Å; R14-E73 IonicContact NE-OE2 3.17Å; R14-E73 PolarHBondContact NE-OE2 3.35Å; R14-E73 IonicContact NH2-OE1 3.61Å; R14-E73 PolarHBondContact NH2-OE1 3.28Å; R14-E73 IonicContact NH2-OE2 3.43Å; R14-E73 PolarHBondContact NH2-OE2 2.92Å; W47-E73 HydrophobicContact CZ2-CB 4.47Å; H69-E73 PolarHBondContact O-N 3.38Å; E73-C75 PolarHBondContact O-N 2.9Å; E73-I76 PolarHBondContact O-N 3.29Å; E73-V77 HydrophobicContact CG-CG2 4.47Å; E73-V77 WeakPolarHBondContact O-CB 3.43Å; E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3.14Å
74D94.1Very high92.2Very high22 Ų2222.2 Ų22.212%0.11811%0.109CC..Hα-helixtrans-58.5-48.2174.8-17969.9000111.8L11 Y25 T70 F71 F72 I76 V77 N78L11-D74 HydrophobicContact CD2-CB 3.61Å; Y25-D74 HydrophobicContact CD2-CB 3.92Å; Y25-D74 HydrophobicContact CG-CB 4.49Å; T70-D74 PolarHBondContact O-N 2.74Å; F71-D74 PolarHBondContact O-N 3.42Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-D74 PolarHBondContact O-N 3.18Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.44Å; D74-V77 PolarHBondContact O-N 3.28Å; D74-N78 VanDerWaalsContact O-CB 3.27Å; D74-N78 WeakPolarHBondContact O-CB 3.38Å; D74-N78 VanDerWaalsContact O-CG 3.25Å; D74-N78 PolarHBondContact O-N 3.41Å; D74-N78 PolarHBondContact O-ND2 3.5Å; D74-N78 PolarHBondContact OD1-ND2 3.3Å; D74-N78 PolarHBondContact OD2-ND2 3.25Å
75C94.8Very high91.9Very high6 Ų624.7 Ų24.74%0.04114%0.135CC..Hα-helixtrans-59.3-43.2177.4-70.80000112.2F71 F72 E73 T79 I215F71-C75 VanDerWaalsContact CZ-SG 3.57Å; F71-C75 PolarHBondContact O-N 2.85Å; F71-C75 PolarHBondContact O-SG 3.15Å; F72-C75 PolarHBondContact O-N 3.24Å; E73-C75 PolarHBondContact O-N 2.9Å; C75-T79 WeakPolarHBondContact O-CB 3.4Å; C75-T79 PolarHBondContact O-N 2.85Å; C75-T79 PolarHBondContact O-OG1 2.83Å; C75-I215 HydrophobicContact CB-CB 4.4Å; C75-I215 HydrophobicContact CB-CD1 3.54Å; C75-I215 HydrophobicContact CB-CG1 3.82Å
76I94.3Very high91.3Very high19 Ų1928.1 Ų28.110%0.09715%0.151CC..Hα-helixtrans-65.9-46.1-179.9-72164.4000110.7F72 E73 D74 T79 S80 I215 F220F72-I76 WeakPolarHBondContact O-CB 3.05Å; F72-I76 WeakPolarHBondContact O-CD1 3.41Å; F72-I76 WeakPolarHBondContact O-CG1 3.47Å; F72-I76 PolarHBondContact O-N 2.98Å; E73-I76 PolarHBondContact O-N 3.29Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.44Å; I76-T79 PolarHBondContact O-N 3.28Å; I76-S80 WeakPolarHBondContact O-CB 3.41Å; I76-S80 PolarHBondContact O-N 3.31Å; I76-S80 PolarHBondContact O-OG 2.98Å; I76-I215 HydrophobicContact CD1-CG2 4.15Å; I76-I215 HydrophobicContact CG1-CB 3.78Å; I76-I215 HydrophobicContact CG1-CG2 3.6Å; I76-F220 HydrophobicContact CD1-CD1 3.94Å; I76-F220 HydrophobicContact CD1-CE1 3.85Å
77V93.4Very high90.4Very high11 Ų1133.8 Ų33.87%0.06718%0.177CC..Hα-helixtrans-64.8-47.2179.5168.90000110.5L9 E73 D74 T79 S80 K81L9-V77 HydrophobicContact CB-CG1 4.13Å; L9-V77 WeakPolarHBondContact O-CG1 3.13Å; E73-V77 HydrophobicContact CG-CG2 4.47Å; E73-V77 WeakPolarHBondContact O-CB 3.43Å; E73-V77 WeakPolarHBondContact O-CG2 3.35Å; E73-V77 PolarHBondContact O-N 3.14Å; D74-V77 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact C-N 3.34Å; V77-T79 PolarHBondContact O-N 3.15Å; V77-S80 WeakPolarHBondContact O-CB 3.26Å; V77-S80 PolarHBondContact O-N 3.25Å; V77-S80 VanDerWaalsContact O-N 3.1Å; V77-K81 HydrophobicContact CG1-CD 4.37Å; V77-K81 WeakPolarHBondContact O-CG 3.24Å; V77-K81 PolarHBondContact O-N 3.21Å
78N92.8Very high89.2Confident66 Ų6642 Ų4235%0.35321%0.213SC..Hα-helixtrans-65.4-37.5178.2-70-28.8000112.1D74 S80 K81 L82D74-N78 VanDerWaalsContact O-CB 3.27Å; D74-N78 WeakPolarHBondContact O-CB 3.38Å; D74-N78 VanDerWaalsContact O-CG 3.25Å; D74-N78 PolarHBondContact O-N 3.41Å; D74-N78 PolarHBondContact O-ND2 3.5Å; D74-N78 PolarHBondContact OD1-ND2 3.3Å; D74-N78 PolarHBondContact OD2-ND2 3.25Å; N78-S80 VanDerWaalsContact C-N 3.33Å; N78-S80 PolarHBondContact O-N 2.86Å; N78-K81 PolarHBondContact O-N 3.14Å; N78-L82 PolarHBondContact O-N 2.91Å
79T92.1Very high87.8Confident1 Ų145.1 Ų45.11%0.00624%0.239CC..Hα-helixtrans-61.3-43.8171-59.40000110.9C75 I76 V77 L82 L83 Y214 I215 F229C75-T79 WeakPolarHBondContact O-CB 3.4Å; C75-T79 PolarHBondContact O-N 2.85Å; C75-T79 PolarHBondContact O-OG1 2.83Å; I76-T79 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact C-N 3.34Å; V77-T79 PolarHBondContact O-N 3.15Å; T79-L82 WeakPolarHBondContact O-CB 3.46Å; T79-L82 PolarHBondContact O-N 2.74Å; T79-L83 HydrophobicContact CG2-CD1 4.28Å; T79-L83 HydrophobicContact CG2-CG 4.42Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 3.35Å; T79-Y214 VanDerWaalsContact OG1-CA 3.31Å; T79-Y214 WeakPolarHBondContact OG1-CA 3.26Å; T79-I215 WeakPolarHBondContact CG2-O 3.42Å; T79-I215 PolarHBondContact OG1-N 2.79Å; T79-I215 VanDerWaalsContact OG1-N 3.09Å; T79-F229 HydrophobicContact CG2-CE1 3.79Å; T79-F229 HydrophobicContact CG2-CE2 3.67Å; T79-F229 HydrophobicContact CG2-CZ 3.11Å
80S91.2Very high86.2Confident24 Ų2448 Ų4817%0.16825%0.25CC..Hα-helixtrans-65.6-39.1179.1-590000112.1I76 V77 N78 L83 K84I76-S80 WeakPolarHBondContact O-CB 3.41Å; I76-S80 PolarHBondContact O-N 3.31Å; I76-S80 PolarHBondContact O-OG 2.98Å; V77-S80 WeakPolarHBondContact O-CB 3.26Å; V77-S80 PolarHBondContact O-N 3.25Å; V77-S80 VanDerWaalsContact O-N 3.1Å; N78-S80 VanDerWaalsContact C-N 3.33Å; N78-S80 PolarHBondContact O-N 2.86Å; S80-L83 PolarHBondContact O-N 3.44Å; S80-K84 WeakPolarHBondContact O-CG 3.45Å; S80-K84 PolarHBondContact O-N 2.83Å
81K89.9Confident84.8Confident76 Ų7653.6 Ų53.633%0.3328%0.28SS..Hα-helixtrans-59-47.3171.7-71.7174.1-178.9173.30111.3L9 V77 N78 L83 K84 A85L9-K81 HydrophobicContact CB-CD 4.47Å; L9-K81 HydrophobicContact CB-CG 3.95Å; L9-K81 HydrophobicContact CD1-CB 4.43Å; L9-K81 HydrophobicContact CD1-CG 3.66Å; L9-K81 HydrophobicContact CG-CG 4.43Å; L9-K81 WeakPolarHBondContact O-CE 3.37Å; L9-K81 PolarHBondContact O-NZ 2.87Å; V77-K81 HydrophobicContact CG1-CD 4.37Å; V77-K81 WeakPolarHBondContact O-CG 3.24Å; V77-K81 PolarHBondContact O-N 3.21Å; N78-K81 PolarHBondContact O-N 3.14Å; K81-L83 PolarHBondContact O-N 2.8Å; K81-K84 PolarHBondContact O-N 3.36Å; K81-A85 WeakPolarHBondContact O-CB 3.5Å; K81-A85 PolarHBondContact O-N 2.8Å
82L87.6Confident83.7Confident42 Ų4255.5 Ų55.522%0.2229%0.288CS..Hα-helixtrans-59.3-46.6176.2-179.373.4000111.9N78 T79 K84 A85 H86 Y214N78-L82 PolarHBondContact O-N 2.91Å; T79-L82 WeakPolarHBondContact O-CB 3.46Å; T79-L82 PolarHBondContact O-N 2.74Å; L82-K84 PolarHBondContact O-N 3.43Å; L82-A85 PolarHBondContact O-N 2.89Å; L82-H86 PolarHBondContact O-CD2 3.43Å; L82-H86 PolarHBondContact O-N 3.44Å; L82-Y214 HydrophobicContact CD2-CD1 3.99Å; L82-Y214 HydrophobicContact CD2-CE1 3.67Å
83L86.4Confident82.6Confident31 Ų3158 Ų5816%0.16230%0.304CS..Hα-helixtrans-61.8-42.8177.8-66.7174.6000111.7T79 S80 K81 H86 H87 F92 F229 F233T79-L83 HydrophobicContact CG2-CD1 4.28Å; T79-L83 HydrophobicContact CG2-CG 4.42Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.4Å; T79-L83 PolarHBondContact O-N 3.35Å; S80-L83 PolarHBondContact O-N 3.44Å; K81-L83 PolarHBondContact O-N 2.8Å; L83-H86 CarbonylContact O-C 3.57Å; L83-H86 PolarHBondContact O-N 3.37Å; L83-H87 WeakPolarHBondContact O-CA 3.29Å; L83-H87 PolarHBondContact O-N 3.12Å; L83-F92 HydrophobicContact CB-CD2 4.47Å; L83-F92 HydrophobicContact CD2-CB 4.11Å; L83-F92 HydrophobicContact CD2-CD1 4.48Å; L83-F92 HydrophobicContact CD2-CD2 3.14Å; L83-F92 HydrophobicContact CD2-CE2 3.24Å; L83-F92 HydrophobicContact CD2-CG 3.72Å; L83-F92 HydrophobicContact CD2-CZ 3.98Å; L83-F92 HydrophobicContact CG-CD2 4.36Å; L83-F229 HydrophobicContact CD1-CZ 4.08Å; L83-F229 HydrophobicContact CD2-CE1 3.71Å; L83-F229 HydrophobicContact CD2-CZ 3.7Å; L83-F229 HydrophobicContact CG-CE1 4.29Å; L83-F229 HydrophobicContact CG-CZ 4.04Å; L83-F233 HydrophobicContact CD1-CZ 3.97Å; L83-F233 HydrophobicContact CD2-CE2 3.81Å; L83-F233 HydrophobicContact CD2-CZ 3.75Å
84K85.5Confident81.8Confident101 Ų10158 Ų5844%0.43931%0.305SS..Hα-helixtrans-62.1-43.8175-76.3-172.1-179.7-175.40111.4L9 S80 K81 L82 H86 H87L9-K84 HydrophobicContact CD1-CD 3.7Å; L9-K84 HydrophobicContact CG-CD 4.37Å; S80-K84 WeakPolarHBondContact O-CG 3.45Å; S80-K84 PolarHBondContact O-N 2.83Å; K81-K84 PolarHBondContact O-N 3.36Å; L82-K84 PolarHBondContact O-N 3.43Å; K84-H86 VanDerWaalsContact C-N 3.29Å; K84-H86 PolarHBondContact O-N 2.94Å; K84-H87 PolarHBondContact O-N 3.4Å; K84-H87 PolarHBondContact O-ND1 3.37Å
85A84.8Confident80.5Confident78 Ų7859 Ų5965%0.64531%0.313SS*.Hα-helixtrans-61.5-36.7178.100000112.5K81 L82K81-A85 WeakPolarHBondContact O-CB 3.5Å; K81-A85 PolarHBondContact O-N 2.8Å; L82-A85 PolarHBondContact O-N 2.89Å
86H80.4Confident79.3Confident72 Ų7259.3 Ų59.333%0.33332%0.317SS..THydrogen-bonded Turntrans-100.49.8-179.4-68.7-80.8000114.9L82 L83 K84 K88 A89 W90L82-H86 PolarHBondContact O-CD2 3.43Å; L82-H86 PolarHBondContact O-N 3.44Å; L83-H86 CarbonylContact O-C 3.57Å; L83-H86 PolarHBondContact O-N 3.37Å; K84-H86 VanDerWaalsContact C-N 3.29Å; K84-H86 PolarHBondContact O-N 2.94Å; H86-K88 PolarHBondContact O-N 3.25Å; H86-K88 VanDerWaalsContact O-N 3.07Å; H86-A89 PolarHBondContact O-N 3.06Å; H86-W90 HydrophobicContact CB-CD2 3.91Å; H86-W90 HydrophobicContact CB-CE3 3.5Å; H86-W90 VanDerWaalsContact CB-CE3 3.5Å; H86-W90 HydrophobicContact CB-CG 4.38Å; H86-W90 HydrophobicContact CB-CZ3 4.01Å; H86-W90 AromaticContact CD2-CZ3 3.91Å; H86-W90 AromaticContact CG-CE3 3.79Å; H86-W90 AromaticContact CG-CZ3 3.77Å; H86-W90 PolarHBondContact O-N 2.6Å
87H73.2Confident78Confident118 Ų11861.8 Ų61.855%0.54633%0.33SS..THydrogen-bonded Turntrans-57.5-31.4-172.177.6-84000113.8L83 K84L83-H87 WeakPolarHBondContact O-CA 3.29Å; L83-H87 PolarHBondContact O-N 3.12Å; K84-H87 PolarHBondContact O-N 3.4Å; K84-H87 PolarHBondContact O-ND1 3.37Å
88K67Low76.3Confident179 Ų17965 Ų6578%0.77835%0.353SS*.THydrogen-bonded Turntrans-72.6-32.7176.7-62.3-173.9179.1175.70112.5H86H86-K88 PolarHBondContact O-N 3.25Å; H86-K88 VanDerWaalsContact O-N 3.07Å
89A63.7Low74.7Confident70 Ų7063.2 Ų63.258%0.57935%0.345SS*.THydrogen-bonded Turntrans-85.3-37.6-178.800000111.5H86H86-A89 PolarHBondContact O-N 3.06Å
90W61.6Low73.3Confident70 Ų7063.5 Ų63.527%0.26535%0.346SS..  trans-126.1107.3-169.1-59.5-19.4000110H86 F92 K230H86-W90 HydrophobicContact CB-CD2 3.91Å; H86-W90 HydrophobicContact CB-CE3 3.5Å; H86-W90 VanDerWaalsContact CB-CE3 3.5Å; H86-W90 HydrophobicContact CB-CG 4.38Å; H86-W90 HydrophobicContact CB-CZ3 4.01Å; H86-W90 AromaticContact CD2-CZ3 3.91Å; H86-W90 AromaticContact CG-CE3 3.79Å; H86-W90 AromaticContact CG-CZ3 3.77Å; H86-W90 PolarHBondContact O-N 2.6Å; W90-F92 HydrophobicContact CB-CD1 4.06Å; W90-F92 HydrophobicContact CB-CD2 3.59Å; W90-F92 HydrophobicContact CB-CE1 3.63Å; W90-F92 HydrophobicContact CB-CE2 3.13Å; W90-F92 HydrophobicContact CB-CG 4.11Å; W90-F92 HydrophobicContact CB-CZ 3.21Å; W90-F92 HydrophobicContact CD2-CE1 4.42Å; W90-F92 AromaticContact CD2-CE2 3.87Å; W90-F92 HydrophobicContact CD2-CE2 3.87Å; W90-F92 AromaticContact CD2-CZ 3.51Å; W90-F92 HydrophobicContact CD2-CZ 3.51Å; W90-F92 HydrophobicContact CE3-CE1 4.35Å; W90-F92 AromaticContact CE3-CE2 3.39Å; W90-F92 HydrophobicContact CE3-CE2 3.39Å; W90-F92 AromaticContact CE3-CZ 3.14Å; W90-F92 HydrophobicContact CE3-CZ 3.14Å; W90-F92 HydrophobicContact CG-CE1 4.2Å; W90-F92 AromaticContact CG-CE2 3.85Å; W90-F92 HydrophobicContact CG-CE2 3.85Å; W90-F92 AromaticContact CG-CZ 3.6Å; W90-F92 HydrophobicContact CG-CZ 3.6Å; W90-F92 HydrophobicContact CZ3-CE2 4.49Å; W90-F92 HydrophobicContact CZ3-CZ 4.16Å; W90-F92 VanDerWaalsContact O-CD2 3.28Å; W90-F92 WeakPolarHBondContact O-CD2 3.45Å; W90-F92 PolarHBondContact O-N 2.93Å; W90-F92 VanDerWaalsContact O-N 3.12Å; W90-K230 HydrophobicContact CH2-CD 4.38Å; W90-K230 HydrophobicContact CZ2-CD 4.35Å
91N63.3Low71.8Confident118 Ų11864.5 Ų64.563%0.63135%0.348SS*.  trans-78.496.8174.7-168.9-2.1000109.6L237N91-L237 WeakPolarHBondContact O-CD2 3.39Å
92F72.7Confident70.5Confident46 Ų4662.9 Ų62.920%0.20235%0.345CS..  trans-105103.1-173.5-64-55.6000111.8L83 W90 F233L83-F92 HydrophobicContact CB-CD2 4.47Å; L83-F92 HydrophobicContact CD2-CB 4.11Å; L83-F92 HydrophobicContact CD2-CD1 4.48Å; L83-F92 HydrophobicContact CD2-CD2 3.14Å; L83-F92 HydrophobicContact CD2-CE2 3.24Å; L83-F92 HydrophobicContact CD2-CG 3.72Å; L83-F92 HydrophobicContact CD2-CZ 3.98Å; L83-F92 HydrophobicContact CG-CD2 4.36Å; W90-F92 HydrophobicContact CB-CD1 4.06Å; W90-F92 HydrophobicContact CB-CD2 3.59Å; W90-F92 HydrophobicContact CB-CE1 3.63Å; W90-F92 HydrophobicContact CB-CE2 3.13Å; W90-F92 HydrophobicContact CB-CG 4.11Å; W90-F92 HydrophobicContact CB-CZ 3.21Å; W90-F92 HydrophobicContact CD2-CE1 4.42Å; W90-F92 AromaticContact CD2-CE2 3.87Å; W90-F92 HydrophobicContact CD2-CE2 3.87Å; W90-F92 AromaticContact CD2-CZ 3.51Å; W90-F92 HydrophobicContact CD2-CZ 3.51Å; W90-F92 HydrophobicContact CE3-CE1 4.35Å; W90-F92 AromaticContact CE3-CE2 3.39Å; W90-F92 HydrophobicContact CE3-CE2 3.39Å; W90-F92 AromaticContact CE3-CZ 3.14Å; W90-F92 HydrophobicContact CE3-CZ 3.14Å; W90-F92 HydrophobicContact CG-CE1 4.2Å; W90-F92 AromaticContact CG-CE2 3.85Å; W90-F92 HydrophobicContact CG-CE2 3.85Å; W90-F92 AromaticContact CG-CZ 3.6Å; W90-F92 HydrophobicContact CG-CZ 3.6Å; W90-F92 HydrophobicContact CZ3-CE2 4.49Å; W90-F92 HydrophobicContact CZ3-CZ 4.16Å; W90-F92 VanDerWaalsContact O-CD2 3.28Å; W90-F92 WeakPolarHBondContact O-CD2 3.45Å; W90-F92 PolarHBondContact O-N 2.93Å; W90-F92 VanDerWaalsContact O-N 3.12Å; F92-F233 HydrophobicContact CB-CB 4.31Å; F92-F233 HydrophobicContact CB-CD1 3.65Å; F92-F233 HydrophobicContact CB-CD2 4.1Å; F92-F233 HydrophobicContact CB-CE1 3.86Å; F92-F233 HydrophobicContact CB-CE2 4.28Å; F92-F233 HydrophobicContact CB-CG 3.76Å; F92-F233 HydrophobicContact CB-CZ 4.17Å; F92-F233 HydrophobicContact CD1-CB 3.53Å; F92-F233 HydrophobicContact CD1-CD1 4.15Å; F92-F233 AromaticContact CD1-CD2 3.14Å; F92-F233 HydrophobicContact CD1-CD2 3.14Å; F92-F233 AromaticContact CD1-CE2 3.79Å; F92-F233 HydrophobicContact CD1-CE2 3.79Å; F92-F233 AromaticContact CD1-CG 3.34Å; F92-F233 HydrophobicContact CD1-CG 3.34Å; F92-F233 HydrophobicContact CE1-CB 4.29Å; F92-F233 AromaticContact CE1-CD2 3.47Å; F92-F233 HydrophobicContact CE1-CD2 3.47Å; F92-F233 VanDerWaalsContact CE1-CD2 3.47Å; F92-F233 HydrophobicContact CE1-CE2 4.03Å; F92-F233 HydrophobicContact CE1-CG 4.1Å; F92-F233 HydrophobicContact CG-CB 4.38Å; F92-F233 HydrophobicContact CG-CD1 4.28Å; F92-F233 AromaticContact CG-CD2 3.82Å; F92-F233 HydrophobicContact CG-CD2 3.82Å; F92-F233 HydrophobicContact CG-CE2 4.07Å; F92-F233 AromaticContact CG-CG 3.91Å; F92-F233 HydrophobicContact CG-CG 3.91Å; F92-F233 HydrophobicContact CG-CZ 4.41Å; F92-F233 HydrophobicContact CZ-CD2 4.34Å
93V71Confident69.5Low60 Ų6064 Ų6436%0.36436%0.36SS..  trans-110134168.8-179.90000107F233 S236V93-F233 WeakPolarHBondContact O-CD1 3.15Å; V93-S236 WeakPolarHBondContact O-CB 3.3Å
94C77.7Confident68.7Low9 Ų963.2 Ų63.26%0.06136%0.355CS..  trans-104.1130.6168172.60000108.6G96 K218 H232 F233C94-G96 VanDerWaalsContact C-N 3.3Å; C94-G96 PolarHBondContact SG-N 3.22Å; C94-G96 VanDerWaalsContact SG-N 3.35Å; C94-K218 HydrophobicContact CB-CB 4.19Å; C94-K218 HydrophobicContact CB-CD 4.14Å; C94-K218 WeakPolarHBondContact O-CD 3.42Å; C94-K218 WeakPolarHBondContact O-CE 3.38Å; C94-K218 PolarHBondContact O-NZ 3Å; C94-H232 PolarHBondContact SG-CE1 2.9Å; C94-H232 PolarHBondContact SG-NE2 2.73Å; C94-H232 VanDerWaalsContact SG-NE2 3.37Å; C94-F233 HydrophobicContact CB-CD1 4.32Å; C94-F233 HydrophobicContact CB-CE1 4.16Å
95C66.5Low67.6Low41 Ų4160.8 Ų60.828%0.27735%0.347SS..  trans-91.113177.8-69.20000113.4C99 S236C95-C99 HydrophobicContact CB-CB 3.61Å; C95-C99 WeakPolarHBondContact CB-SG 3.21Å; C95-S236 PolarHBondContact N-OG 3Å; C95-S236 VanDerWaalsContact SG-CA 3.5Å; C95-S236 VanDerWaalsContact SG-CB 3.58Å; C95-S236 PolarHBondContact SG-O 3.45Å
96G69.6Low66.6Low13 Ų1360.2 Ų60.213%0.13433%0.331CS..  trans89.9174.7-176.300000113.2C94 S98 C99 Q100C94-G96 VanDerWaalsContact C-N 3.3Å; C94-G96 PolarHBondContact SG-N 3.22Å; C94-G96 VanDerWaalsContact SG-N 3.35Å; G96-S98 VanDerWaalsContact C-N 3.34Å; G96-S98 PolarHBondContact O-N 3.39Å; G96-C99 PolarHBondContact O-N 2.96Å; G96-Q100 PolarHBondContact O-NE2 2.81Å
97I66.8Low66.4Low72 Ų7261.4 Ų61.437%0.36933%0.332SS..G310 helixtrans-66.4-34.8-171.4-165.6163.6000112.4C99 Q100 L105 C219 V221I97-C99 PolarHBondContact O-N 2.97Å; I97-C99 VanDerWaalsContact O-N 3.15Å; I97-Q100 WeakPolarHBondContact O-CB 3.38Å; I97-Q100 WeakPolarHBondContact O-CG 3.44Å; I97-Q100 PolarHBondContact O-N 2.86Å; I97-Q100 VanDerWaalsContact O-N 3.11Å; I97-L105 HydrophobicContact CD1-CD2 4.46Å; I97-L105 HydrophobicContact CG1-CD2 3.62Å; I97-L105 WeakPolarHBondContact O-CD2 3.17Å; I97-C219 HydrophobicContact CB-CB 4.01Å; I97-V221 HydrophobicContact CD1-CG2 4.43Å; I97-V221 HydrophobicContact CG1-CG2 4.22Å
98S59.6Low66.9Low78 Ų7856.2 Ų56.255%0.54531%0.309SS..G310 helixtrans-65.2-17.217953.70000114.2G96 Q351G96-S98 VanDerWaalsContact C-N 3.34Å; G96-S98 PolarHBondContact O-N 3.39Å; S98-Q351 PolarHBondContact OG-NE2 2.96Å
99C58.6Low68Low28 Ų2848.6 Ų48.619%0.18928%0.278CS..G310 helixtrans-93.66.7178.1-65.50000113.4C95 G96 I97C95-C99 HydrophobicContact CB-CB 3.61Å; C95-C99 WeakPolarHBondContact CB-SG 3.21Å; G96-C99 PolarHBondContact O-N 2.96Å; I97-C99 PolarHBondContact O-N 2.97Å; I97-C99 VanDerWaalsContact O-N 3.15Å
100Q61.9Low69Low8 Ų849.2 Ų49.24%0.03727%0.269CS..SBendtrans-92.8161.7-174.6-57.5-53.2-43.600112.9G96 I97 Y104 L105 V221 H232G96-Q100 PolarHBondContact O-NE2 2.81Å; I97-Q100 WeakPolarHBondContact O-CB 3.38Å; I97-Q100 WeakPolarHBondContact O-CG 3.44Å; I97-Q100 PolarHBondContact O-N 2.86Å; I97-Q100 VanDerWaalsContact O-N 3.11Å; Q100-Y104 HydrophobicContact CB-CD2 4.39Å; Q100-L105 HydrophobicContact CB-CD2 4.36Å; Q100-V221 HydrophobicContact CG-CG2 4.26Å; Q100-H232 PolarHBondContact NE2-CE1 3.47Å; Q100-H232 PolarHBondContact NE2-ND1 3.32Å; Q100-H232 PolarHBondContact OE1-CE1 3.24Å; Q100-H232 PolarHBondContact OE1-ND1 2.98Å
101K60.3Low70.1Confident45 Ų4550.7 Ų50.720%0.19628%0.277CS..  trans-58139.9169.3-61.6-179-167.3162.70108.2A103 Y104 L105 E231K101-A103 PolarHBondContact O-N 3.11Å; K101-Y104 HydrophobicContact CB-CD2 3.84Å; K101-Y104 HydrophobicContact CB-CE2 4.07Å; K101-Y104 HydrophobicContact CB-CG 4.19Å; K101-Y104 HydrophobicContact CD-CD2 4.35Å; K101-Y104 HydrophobicContact CD-CE2 3.7Å; K101-Y104 HydrophobicContact CG-CD2 4.12Å; K101-Y104 HydrophobicContact CG-CE2 3.88Å; K101-Y104 PolarHBondContact NZ-OH 3.06Å; K101-Y104 WeakPolarHBondContact O-CA 3.32Å; K101-Y104 WeakPolarHBondContact O-CB 3.15Å; K101-Y104 PolarHBondContact O-N 3.26Å; K101-L105 PolarHBondContact O-N 2.81Å; K101-E231 IonicContact NZ-OE2 3.16Å; K101-E231 PolarHBondContact NZ-OE2 3.18Å
102P63Low71.1Confident41 Ų4145.4 Ų45.427%0.26625%0.248SC..Hα-helixtrans-51-36.4175.7-30.135.7000113.6Y104 L105 F348 L362P102-Y104 PolarHBondContact O-N 3.35Å; P102-L105 WeakPolarHBondContact O-CB 3.48Å; P102-L105 PolarHBondContact O-N 3.16Å; P102-L105 VanDerWaalsContact O-N 3.11Å; P102-F348 HydrophobicContact CG-CE1 4.22Å; P102-F348 HydrophobicContact CG-CZ 3.89Å; P102-L362 HydrophobicContact CG-CD2 4.46Å
103A65.3Low71.9Confident66 Ų6643.7 Ų43.755%0.54524%0.241SC..Hα-helixtrans-60.9-23.7175.600000114.6K101K101-A103 PolarHBondContact O-N 3.11Å
104Y70.5Confident72.7Confident14 Ų1443.1 Ų43.16%0.05523%0.233CC..Hα-helixtrans-87.1-24.9176.7-64-21.2000112.7Q100 K101 P102 Q106 R107 V221 F223Q100-Y104 HydrophobicContact CB-CD2 4.39Å; K101-Y104 HydrophobicContact CB-CD2 3.84Å; K101-Y104 HydrophobicContact CB-CE2 4.07Å; K101-Y104 HydrophobicContact CB-CG 4.19Å; K101-Y104 HydrophobicContact CD-CD2 4.35Å; K101-Y104 HydrophobicContact CD-CE2 3.7Å; K101-Y104 HydrophobicContact CG-CD2 4.12Å; K101-Y104 HydrophobicContact CG-CE2 3.88Å; K101-Y104 PolarHBondContact NZ-OH 3.06Å; K101-Y104 WeakPolarHBondContact O-CA 3.32Å; K101-Y104 WeakPolarHBondContact O-CB 3.15Å; K101-Y104 PolarHBondContact O-N 3.26Å; P102-Y104 PolarHBondContact O-N 3.35Å; Y104-Q106 PolarHBondContact O-N 3.44Å; Y104-R107 PolarHBondContact O-N 3.37Å; Y104-V221 HydrophobicContact CG-CG1 4.34Å; Y104-F223 HydrophobicContact CD1-CE1 4.17Å; Y104-F223 HydrophobicContact CD2-CE1 4.12Å; Y104-F223 HydrophobicContact CD2-CZ 4.43Å; Y104-F223 HydrophobicContact CE1-CE1 4.08Å; Y104-F223 HydrophobicContact CE2-CE1 4.05Å; Y104-F223 HydrophobicContact CG-CE1 4.21Å
105L61.9Low73.1Confident51 Ų5143.1 Ų43.127%0.26723%0.232SC..Hα-helixtrans-60.5-31.8176.4-58.7178.1000111.7I97 Q100 K101 P102 R107I97-L105 HydrophobicContact CD1-CD2 4.46Å; I97-L105 HydrophobicContact CG1-CD2 3.62Å; I97-L105 WeakPolarHBondContact O-CD2 3.17Å; Q100-L105 HydrophobicContact CB-CD2 4.36Å; K101-L105 PolarHBondContact O-N 2.81Å; P102-L105 WeakPolarHBondContact O-CB 3.48Å; P102-L105 PolarHBondContact O-N 3.16Å; P102-L105 VanDerWaalsContact O-N 3.11Å; L105-R107 PolarHBondContact O-N 3.5Å
106Q64Low73.9Confident66 Ų6644.4 Ų44.431%0.30824%0.24SC..THydrogen-bonded Turntrans-79.3-1.5176.3-59.2-59.2-21.800113.4Y104 I334 A335Y104-Q106 PolarHBondContact O-N 3.44Å; Q106-I334 VanDerWaalsContact O-CG2 3.22Å; Q106-I334 WeakPolarHBondContact O-CG2 3.46Å; Q106-A335 HydrophobicContact CB-CB 4.48Å
107R75.9Confident74.6Confident97 Ų9746.9 Ų46.937%0.36625%0.249SC..THydrogen-bonded Turntrans-117.942.9-179.1-59.9-176.6179.7-165.1-2.8110.8Y104 L105 C222 I334Y104-R107 PolarHBondContact O-N 3.37Å; L105-R107 PolarHBondContact O-N 3.5Å; R107-C222 WeakPolarHBondContact O-CB 3.48Å; R107-C222 PolarHBondContact O-N 2.95Å; R107-I334 HydrophobicContact CG-CD1 4.43Å
108S84.5Confident75.5Confident9 Ų943.5 Ų43.56%0.06323%0.232CC..BIsolated β-bridgetrans-84158172.365.40000111.4E110 K111 F112 F220S108-E110 PolarHBondContact O-N 2.81Å; S108-K111 PolarHBondContact O-N 3.28Å; S108-K111 WeakPolarHBondContact OG-CG 3.4Å; S108-K111 PolarHBondContact OG-N 3.49Å; S108-F112 WeakPolarHBondContact O-CD2 3.04Å; S108-F112 PolarHBondContact O-N 3.46Å; S108-F220 CarbonylContact C-O 3.57Å; S108-F220 WeakPolarHBondContact CA-O 3.12Å
109T89.3Confident76.9Confident19 Ų1940.5 Ų40.512%0.11721%0.21CC..Hα-helixtrans-53.9-40.3170.652.10000111.7F72 K111 F112 L113 I215 F220 C222F72-T109 HydrophobicContact CB-CG2 4.41Å; F72-T109 HydrophobicContact CD1-CG2 4.43Å; F72-T109 HydrophobicContact CD2-CG2 3.87Å; F72-T109 HydrophobicContact CE2-CG2 4.24Å; F72-T109 HydrophobicContact CG-CG2 3.98Å; T109-K111 VanDerWaalsContact C-N 3.33Å; T109-K111 PolarHBondContact O-N 3.37Å; T109-F112 WeakPolarHBondContact O-CB 3.33Å; T109-F112 PolarHBondContact O-N 3.09Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.05Å; T109-I215 HydrophobicContact CG2-CD1 3.98Å; T109-I215 HydrophobicContact CG2-CG2 3.84Å; T109-F220 HydrophobicContact CG2-CB 4.22Å; T109-F220 PolarHBondContact N-O 3.36Å; T109-C222 PolarHBondContact N-SG 3.27Å
110E85.6Confident78.2Confident83 Ų8344.5 Ų44.539%0.38823%0.228SC..Hα-helixtrans-56.8-43.2177.9-166.7-163164.100112.4S108 F112 L113 W114S108-E110 PolarHBondContact O-N 2.81Å; E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 3.17Å; E110-L113 PolarHBondContact O-N 2.94Å; E110-W114 PolarHBondContact O-N 3Å
111K83.2Confident79.4Confident101 Ų10150.4 Ų50.444%0.43925%0.25SC..Hα-helixtrans-65.3-33.3177.1-71.2-69.5-175.1-178.70112.3S108 T109 N115 I334S108-K111 PolarHBondContact O-N 3.28Å; S108-K111 WeakPolarHBondContact OG-CG 3.4Å; S108-K111 PolarHBondContact OG-N 3.49Å; T109-K111 VanDerWaalsContact C-N 3.33Å; T109-K111 PolarHBondContact O-N 3.37Å; K111-N115 PolarHBondContact O-N 3.33Å; K111-I334 HydrophobicContact CB-CG2 4.13Å
112F85.6Confident80.7Confident6 Ų648.2 Ų48.23%0.02624%0.241CC..Hα-helixtrans-73.7-43.8174.6-85.6-96.1000112.8F72 S108 T109 E110 W114 N115 I118 G210 P212 C222 I334F72-F112 HydrophobicContact CE2-CB 4.17Å; F72-F112 HydrophobicContact CZ-CB 3.58Å; F72-F112 HydrophobicContact CZ-CG 4.22Å; S108-F112 WeakPolarHBondContact O-CD2 3.04Å; S108-F112 PolarHBondContact O-N 3.46Å; T109-F112 WeakPolarHBondContact O-CB 3.33Å; T109-F112 PolarHBondContact O-N 3.09Å; E110-F112 VanDerWaalsContact C-N 3.29Å; E110-F112 PolarHBondContact O-N 3.17Å; F112-W114 PolarHBondContact O-N 3.25Å; F112-W114 VanDerWaalsContact O-N 3.13Å; F112-N115 WeakPolarHBondContact O-CB 3.41Å; F112-N115 PolarHBondContact O-N 3.33Å; F112-N115 VanDerWaalsContact O-N 3.07Å; F112-I118 HydrophobicContact CD1-CD1 4.27Å; F112-G210 WeakPolarHBondContact CZ-O 3.4Å; F112-P212 HydrophobicContact CZ-CG 4.33Å; F112-C222 HydrophobicContact CE2-CB 4.04Å; F112-I334 HydrophobicContact CD2-CG1 4.48Å; F112-I334 HydrophobicContact CD2-CG2 3.85Å; F112-I334 HydrophobicContact CE1-CD1 3.98Å; F112-I334 HydrophobicContact CE1-CG1 3.93Å; F112-I334 HydrophobicContact CE2-CB 4.44Å; F112-I334 HydrophobicContact CE2-CD1 3.45Å; F112-I334 VanDerWaalsContact CE2-CD1 3.45Å; F112-I334 HydrophobicContact CE2-CG1 3.79Å; F112-I334 HydrophobicContact CE2-CG2 3.74Å; F112-I334 HydrophobicContact CZ-CD1 3.12Å; F112-I334 HydrophobicContact CZ-CG1 3.5Å; F112-I334 HydrophobicContact CZ-CG2 4.31Å
113L89.5Confident82Confident11 Ų1146.4 Ų46.46%0.05823%0.228CC..Hα-helixtrans-55.4-30.6179.2-75.9173.2000112.9H65 L68 H69 F72 T109 E110H65-L113 PolarHBondContact ND1-O 3.2Å; L68-L113 HydrophobicContact CB-CD2 3.7Å; L68-L113 HydrophobicContact CD1-CD2 4.44Å; H69-L113 WeakPolarHBondContact CE1-CD1 3.41Å; F72-L113 HydrophobicContact CD2-CD2 4.14Å; F72-L113 HydrophobicContact CD2-CG 4.33Å; F72-L113 HydrophobicContact CE2-CD2 3.83Å; F72-L113 HydrophobicContact CE2-CG 3.86Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.05Å; E110-L113 PolarHBondContact O-N 2.94Å
114W87.8Confident83Confident48 Ų4845.2 Ų45.218%0.18221%0.212CC..THydrogen-bonded Turntrans-112.822.8-178.1-61.6104.5000112.9K52 N54 F56 H65 E110 F112 P116 L119K52-W114 HydrophobicContact CB-CH2 4.2Å; K52-W114 HydrophobicContact CB-CZ2 3.52Å; K52-W114 HydrophobicContact CD-CD2 4.12Å; K52-W114 HydrophobicContact CD-CG 4.37Å; K52-W114 HydrophobicContact CD-CZ2 4.17Å; K52-W114 HydrophobicContact CG-CZ2 4.33Å; N54-W114 HydrophobicContact CB-CH2 3.78Å; N54-W114 HydrophobicContact CB-CZ3 4.05Å; F56-W114 HydrophobicContact CE1-CH2 4.01Å; F56-W114 AromaticContact CE1-CZ3 3.66Å; F56-W114 HydrophobicContact CE1-CZ3 3.66Å; F56-W114 HydrophobicContact CE2-CH2 4.09Å; F56-W114 AromaticContact CZ-CH2 3.42Å; F56-W114 HydrophobicContact CZ-CH2 3.42Å; F56-W114 VanDerWaalsContact CZ-CH2 3.42Å; F56-W114 HydrophobicContact CZ-CZ2 4.39Å; F56-W114 AromaticContact CZ-CZ3 3.58Å; F56-W114 HydrophobicContact CZ-CZ3 3.58Å; H65-W114 AromaticContact CE1-CE2 3.71Å; H65-W114 AromaticContact CE1-CH2 3.89Å; H65-W114 AromaticContact CE1-CZ2 3.41Å; H65-W114 VanDerWaalsContact CE1-CZ2 3.41Å; H65-W114 WeakPolarHBondContact CE1-CZ2 3.45Å; E110-W114 PolarHBondContact O-N 3Å; F112-W114 PolarHBondContact O-N 3.25Å; F112-W114 VanDerWaalsContact O-N 3.13Å; W114-P116 WeakPolarHBondContact O-CD 3.1Å; W114-L119 HydrophobicContact CE3-CD1 4.08Å
115N84.8Confident83.9Confident8 Ų845 Ų454%0.04321%0.212CC..  trans-71117.3174.6-173.7-63.2000109.7K111 F112 I117 I118 L119K111-N115 PolarHBondContact O-N 3.33Å; F112-N115 WeakPolarHBondContact O-CB 3.41Å; F112-N115 PolarHBondContact O-N 3.33Å; F112-N115 VanDerWaalsContact O-N 3.07Å; N115-I117 VanDerWaalsContact C-N 3.3Å; N115-I117 PolarHBondContact O-N 3.26Å; N115-I117 WeakPolarHBondContact OD1-CB 2.97Å; N115-I117 PolarHBondContact OD1-N 2.81Å; N115-I118 HydrophobicContact CB-CB 4.21Å; N115-I118 HydrophobicContact CB-CD1 3.89Å; N115-I118 HydrophobicContact CB-CG1 4.03Å; N115-I118 PolarHBondContact O-N 3.3Å; N115-I118 PolarHBondContact OD1-N 3.39Å; N115-L119 WeakPolarHBondContact O-CG 3.39Å; N115-L119 PolarHBondContact O-N 3.11Å
116P84.2Confident85.2Confident68 Ų6843.4 Ų43.444%0.44220%0.203SC..Hα-helixtrans-64.4-34.1-173.225.1-34000112.7W114 L119 I120W114-P116 WeakPolarHBondContact O-CD 3.1Å; P116-L119 PolarHBondContact O-N 3.45Å; P116-I120 HydrophobicContact CB-CD1 4.44Å; P116-I120 VanDerWaalsContact O-CB 3.26Å; P116-I120 WeakPolarHBondContact O-CB 3.37Å; P116-I120 WeakPolarHBondContact O-CD1 3.44Å; P116-I120 WeakPolarHBondContact O-CG1 3.15Å; P116-I120 PolarHBondContact O-N 2.77Å
117I83.4Confident86.5Confident65 Ų6541.5 Ų41.533%0.33319%0.193SC..Hα-helixtrans-65.5-45.6179-57.5171000109.5N115 I120 R121 Y331 F332N115-I117 VanDerWaalsContact C-N 3.3Å; N115-I117 PolarHBondContact O-N 3.26Å; N115-I117 WeakPolarHBondContact OD1-CB 2.97Å; N115-I117 PolarHBondContact OD1-N 2.81Å; I117-I120 PolarHBondContact O-N 3.38Å; I117-R121 WeakPolarHBondContact O-CB 3.28Å; I117-R121 PolarHBondContact O-N 3.05Å; I117-Y331 HydrophobicContact CG2-CE1 4.18Å; I117-F332 HydrophobicContact CB-CD1 4.11Å; I117-F332 HydrophobicContact CB-CE1 4.3Å; I117-F332 HydrophobicContact CG2-CD1 3.89Å; I117-F332 HydrophobicContact CG2-CE1 3.75Å
118I87.1Confident87.1Confident1 Ų140.8 Ų40.81%0.00519%0.193CC..Hα-helixtrans-63.3-47.3178-61.3176.1000110.1R64 L68 F112 N115 I120 G122 F123 F332R64-I118 WeakPolarHBondContact CD-O 3.48Å; L68-I118 HydrophobicContact CD1-CG2 4.14Å; F112-I118 HydrophobicContact CD1-CD1 4.27Å; N115-I118 HydrophobicContact CB-CB 4.21Å; N115-I118 HydrophobicContact CB-CD1 3.89Å; N115-I118 HydrophobicContact CB-CG1 4.03Å; N115-I118 PolarHBondContact O-N 3.3Å; N115-I118 PolarHBondContact OD1-N 3.39Å; I118-I120 VanDerWaalsContact C-N 3.34Å; I118-I120 PolarHBondContact O-N 3.42Å; I118-G122 VanDerWaalsContact O-CA 3.23Å; I118-G122 WeakPolarHBondContact O-CA 3.35Å; I118-G122 PolarHBondContact O-N 3.33Å; I118-F123 HydrophobicContact CD1-CE1 4.19Å; I118-F123 HydrophobicContact CD1-CZ 4.33Å; I118-F123 HydrophobicContact CG1-CE1 4.37Å; I118-F123 HydrophobicContact CG2-CE1 4.31Å; I118-F123 HydrophobicContact CG2-CE2 4Å; I118-F123 HydrophobicContact CG2-CZ 3.7Å; I118-F332 HydrophobicContact CB-CE1 4.47Å; I118-F332 HydrophobicContact CD1-CD1 4.27Å; I118-F332 HydrophobicContact CD1-CE1 4.37Å; I118-F332 HydrophobicContact CD1-CG 4.48Å; I118-F332 HydrophobicContact CG1-CD1 3.6Å; I118-F332 HydrophobicContact CG1-CE1 3.41Å; I118-F332 VanDerWaalsContact CG1-CE1 3.41Å; I118-F332 HydrophobicContact CG1-CG 4.27Å; I118-F332 HydrophobicContact CG1-CZ 3.96Å
119L87.6Confident87.3Confident16 Ų1647.2 Ų47.28%0.08423%0.226CC..Hα-helixtrans-63.7-39-178.6-64.8178.8000112.4F56 R64 H65 W114 N115 P116F56-L119 HydrophobicContact CE1-CD1 4.28Å; F56-L119 HydrophobicContact CE1-CD2 4.26Å; R64-L119 WeakPolarHBondContact CD-O 3.34Å; R64-L119 PolarHBondContact NH1-O 3.18Å; H65-L119 HydrophobicContact CB-CD2 3.77Å; W114-L119 HydrophobicContact CE3-CD1 4.08Å; N115-L119 WeakPolarHBondContact O-CG 3.39Å; N115-L119 PolarHBondContact O-N 3.11Å; P116-L119 PolarHBondContact O-N 3.45Å
120I86.1Confident87.3Confident111 Ų11147.7 Ų47.757%0.56923%0.23SC*.Hα-helixtrans-83.3-41.2-175.8-64.5167.7000112.5R64 P116 I117 I118R64-I120 PolarHBondContact NH1-O 3.35Å; P116-I120 HydrophobicContact CB-CD1 4.44Å; P116-I120 VanDerWaalsContact O-CB 3.26Å; P116-I120 WeakPolarHBondContact O-CB 3.37Å; P116-I120 WeakPolarHBondContact O-CD1 3.44Å; P116-I120 WeakPolarHBondContact O-CG1 3.15Å; P116-I120 PolarHBondContact O-N 2.77Å; I117-I120 PolarHBondContact O-N 3.38Å; I118-I120 VanDerWaalsContact C-N 3.34Å; I118-I120 PolarHBondContact O-N 3.42Å
121R86.9Confident87.5Confident132 Ų13251 Ų5150%0.49825%0.251SS..Hα-helixtrans-110.7-18-171.7-54.7-172.782160.412.2114.5I117 E124I117-R121 WeakPolarHBondContact O-CB 3.28Å; I117-R121 PolarHBondContact O-N 3.05Å; R121-E124 IonicContact CZ-OE1 3Å; R121-E124 IonicContact CZ-OE2 2.99Å; R121-E124 IonicContact NE-OE1 3.93Å; R121-E124 PolarHBondContact NE-OE1 3.34Å; R121-E124 VanDerWaalsContact NE-OE1 3.16Å; R121-E124 IonicContact NE-OE2 3.5Å; R121-E124 IonicContact NH2-OE1 2.81Å
122G87.9Confident88Confident0 Ų049.8 Ų49.80%024%0.244CC..  trans72.7-147.3-17100000111.7I118I118-G122 VanDerWaalsContact O-CA 3.23Å; I118-G122 WeakPolarHBondContact O-CA 3.35Å; I118-G122 PolarHBondContact O-N 3.33Å
123F90Very high88.3Confident2 Ų253.9 Ų53.91%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-109.5116179.2-58.6-85.6000110.3L68 I118 T133 T134 A137 F140 I211 F332L68-F123 HydrophobicContact CD2-CZ 4.12Å; I118-F123 HydrophobicContact CD1-CE1 4.19Å; I118-F123 HydrophobicContact CD1-CZ 4.33Å; I118-F123 HydrophobicContact CG1-CE1 4.37Å; I118-F123 HydrophobicContact CG2-CE1 4.31Å; I118-F123 HydrophobicContact CG2-CE2 4Å; I118-F123 HydrophobicContact CG2-CZ 3.7Å; F123-T133 CarbonylContact O-C 3.49Å; F123-T133 VanDerWaalsContact O-CA 3.27Å; F123-T133 WeakPolarHBondContact O-CA 3.48Å; F123-T134 HydrophobicContact CB-CG2 4.14Å; F123-T134 WeakPolarHBondContact CB-O 3.33Å; F123-T134 PolarHBondContact N-O 3.45Å; F123-T134 PolarHBondContact O-N 3.07Å; F123-A137 HydrophobicContact CE1-CB 4.24Å; F123-A137 HydrophobicContact CE2-CB 3.86Å; F123-A137 HydrophobicContact CZ-CB 3.61Å; F123-F140 HydrophobicContact CB-CB 3.73Å; F123-F140 HydrophobicContact CB-CD1 4.04Å; F123-F140 HydrophobicContact CB-CD2 3.61Å; F123-F140 HydrophobicContact CB-CE2 4.17Å; F123-F140 HydrophobicContact CB-CG 3.52Å; F123-F140 HydrophobicContact CD1-CB 4.5Å; F123-F140 HydrophobicContact CD1-CD1 4Å; F123-F140 HydrophobicContact CD1-CE1 4.44Å; F123-F140 HydrophobicContact CD1-CG 4.27Å; F123-F140 HydrophobicContact CG-CB 4.05Å; F123-F140 HydrophobicContact CG-CD1 4.28Å; F123-F140 HydrophobicContact CG-CG 4.08Å; F123-I211 HydrophobicContact CD1-CD1 3.74Å; F123-I211 HydrophobicContact CE1-CD1 3.53Å; F123-I211 HydrophobicContact CE1-CG1 4.14Å; F123-I211 HydrophobicContact CZ-CD1 4.42Å; F123-F332 AromaticContact CD1-CE2 3.8Å; F123-F332 HydrophobicContact CD1-CE2 3.8Å; F123-F332 AromaticContact CD1-CZ 3.76Å; F123-F332 HydrophobicContact CD1-CZ 3.76Å; F123-F332 HydrophobicContact CE1-CE2 4.15Å; F123-F332 HydrophobicContact CE1-CZ 4.19Å
124E88Confident88.4Confident41 Ų4154.5 Ų54.519%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-112.5125.8179.5-59.5173.6179.600109.4R121 Q126 T133 Y331R121-E124 IonicContact CZ-OE1 3Å; R121-E124 IonicContact CZ-OE2 2.99Å; R121-E124 IonicContact NE-OE1 3.93Å; R121-E124 PolarHBondContact NE-OE1 3.34Å; R121-E124 VanDerWaalsContact NE-OE1 3.16Å; R121-E124 IonicContact NE-OE2 3.5Å; R121-E124 IonicContact NH2-OE1 2.81Å; E124-Q126 PolarHBondContact O-N 3.17Å; E124-Q126 PolarHBondContact O-NE2 3.16Å; E124-T133 HydrophobicContact CB-CG2 4.24Å; E124-T133 HydrophobicContact CG-CG2 3.91Å; E124-Y331 PolarHBondContact OE2-OH 3.34Å
125C89.2Confident88.5Confident9 Ų954.3 Ų54.36%0.06128%0.276CS..  trans-68135174.8-169.70000109.8W127 C130 Y132 F140 H143 H147C125-W127 VanDerWaalsContact SG-CB 3.58Å; C125-W127 PolarHBondContact SG-N 3.13Å; C125-W127 VanDerWaalsContact SG-N 3.42Å; C125-C130 HydrophobicContact CB-CB 4.41Å; C125-Y132 WeakPolarHBondContact CB-O 3.21Å; C125-Y132 PolarHBondContact N-O 3.41Å; C125-F140 HydrophobicContact CB-CE2 4.22Å; C125-H143 PolarHBondContact SG-NE2 3.07Å; C125-H143 VanDerWaalsContact SG-NE2 3.4Å; C125-H147 PolarHBondContact SG-NE2 2.86Å
126Q88.8Confident88.7Confident18 Ų1854 Ų548%0.08428%0.275CS..  trans-112.418.2176.7-51.8-64.3-59.400111.2E124 W175 Q176 Y331E124-Q126 PolarHBondContact O-N 3.17Å; E124-Q126 PolarHBondContact O-NE2 3.16Å; Q126-W175 HydrophobicContact CB-CD2 4.39Å; Q126-W175 HydrophobicContact CB-CZ2 3.98Å; Q126-W175 HydrophobicContact CG-CZ2 4.24Å; Q126-Q176 WeakPolarHBondContact CB-O 3.17Å; Q126-Q176 WeakPolarHBondContact O-CB 3.48Å; Q126-Q176 PolarHBondContact O-N 3.48Å; Q126-Y331 VanDerWaalsContact CD-CD2 3.48Å; Q126-Y331 VanDerWaalsContact CD-CE2 3.47Å; Q126-Y331 HydrophobicContact CG-CD2 3.41Å; Q126-Y331 VanDerWaalsContact CG-CD2 3.41Å; Q126-Y331 HydrophobicContact CG-CE2 3.92Å; Q126-Y331 HydrophobicContact CG-CG 4.08Å
127W90.1Very high89Confident26 Ų2650.9 Ų50.910%0.09825%0.254CS..BIsolated β-bridgetrans-68.7138.7170.9-166.2-94.9000109.2C125 D129 C130 H147 L174 W175 F201 V205C125-W127 VanDerWaalsContact SG-CB 3.58Å; C125-W127 PolarHBondContact SG-N 3.13Å; C125-W127 VanDerWaalsContact SG-N 3.42Å; W127-D129 PolarHBondContact O-N 3.41Å; W127-C130 HydrophobicContact CB-CB 3.89Å; W127-C130 WeakPolarHBondContact O-CB 3.47Å; W127-C130 PolarHBondContact O-N 3.41Å; W127-H147 AromaticContact CD1-CE1 3.73Å; W127-H147 AromaticContact CD1-ND1 3.32Å; W127-H147 VanDerWaalsContact CD1-ND1 3.32Å; W127-H147 HydrophobicContact CD2-CB 3.72Å; W127-H147 AromaticContact CD2-CG 3.56Å; W127-H147 AromaticContact CD2-ND1 3.71Å; W127-H147 AromaticContact CE2-CG 3.95Å; W127-H147 AromaticContact CE2-ND1 3.85Å; W127-H147 HydrophobicContact CE3-CB 3.75Å; W127-H147 AromaticContact CE3-CG 3.91Å; W127-H147 HydrophobicContact CG-CB 4.29Å; W127-H147 AromaticContact CG-CE1 3.68Å; W127-H147 AromaticContact CG-CG 3.6Å; W127-H147 AromaticContact CG-ND1 3.36Å; W127-H147 HydrophobicContact CH2-CB 3.96Å; W127-H147 HydrophobicContact CZ2-CB 3.98Å; W127-H147 HydrophobicContact CZ3-CB 3.88Å; W127-H147 AromaticContact NE1-ND1 3.61Å; W127-L174 HydrophobicContact CD2-CB 4.14Å; W127-L174 HydrophobicContact CZ2-CB 3.93Å; W127-L174 HydrophobicContact CZ2-CD1 4.4Å; W127-L174 HydrophobicContact CZ2-CG 4.1Å; W127-W175 HydrophobicContact CE3-CB 4.49Å; W127-W175 HydrophobicContact CE3-CE3 4.01Å; W127-F201 HydrophobicContact CH2-CE1 4.15Å; W127-F201 AromaticContact CH2-CZ 3.79Å; W127-F201 HydrophobicContact CH2-CZ 3.79Å; W127-V205 HydrophobicContact CE3-CG1 4.36Å; W127-V205 HydrophobicContact CH2-CG2 4.16Å; W127-V205 HydrophobicContact CZ3-CB 4.49Å; W127-V205 HydrophobicContact CZ3-CG1 3.86Å; W127-V205 HydrophobicContact CZ3-CG2 3.76Å
128K89.3Confident89.4Confident82 Ų8250.3 Ų50.336%0.35725%0.248SC..THydrogen-bonded Turntrans-52.9129.9177.3-168.4-161171.3-163.60110.1C130 L174 I190K128-C130 VanDerWaalsContact C-N 3.26Å; K128-C130 PolarHBondContact O-N 3.12Å; K128-L174 HydrophobicContact CB-CB 3.78Å; K128-L174 WeakPolarHBondContact CB-O 3.41Å; K128-L174 PolarHBondContact N-O 2.92Å; K128-I190 HydrophobicContact CD-CD1 4.32Å
129D88Confident89.5Confident144 Ų14453.7 Ų53.777%0.7727%0.266SS*.THydrogen-bonded Turntrans64.825.2178.8-46.9-45.4000113.9W127W127-D129 PolarHBondContact O-N 3.41Å
130C89.9Confident89.7Confident29 Ų2953 Ų5320%0.19626%0.262CS..  trans-117.9126.8172.8-174.50000111.1C125 W127 K128 H143C125-C130 HydrophobicContact CB-CB 4.41Å; W127-C130 HydrophobicContact CB-CB 3.89Å; W127-C130 WeakPolarHBondContact O-CB 3.47Å; W127-C130 PolarHBondContact O-N 3.41Å; K128-C130 VanDerWaalsContact C-N 3.26Å; K128-C130 PolarHBondContact O-N 3.12Å; C130-H143 PolarHBondContact SG-CE1 3.19Å; C130-H143 PolarHBondContact SG-NE2 3.41Å
131D91.1Very high89.8Confident154 Ų15448 Ų4882%0.82424%0.237SC*.  trans-108.713-179.463.3-15.3000113T133D131-T133 PolarHBondContact O-N 3.39Å
132Y92.3Very high89.9Confident75 Ų7544.7 Ų44.729%0.29423%0.227SC..  trans-64.3128.5-176.8-174.1-91.6000111.7C125 T134 H143C125-Y132 WeakPolarHBondContact CB-O 3.21Å; C125-Y132 PolarHBondContact N-O 3.41Å; Y132-T134 HydrophobicContact CE1-CG2 3.69Å; Y132-H143 WeakPolarHBondContact CB-NE2 3.39Å; Y132-H143 HydrophobicContact CD1-CB 3.84Å; Y132-H143 AromaticContact CD1-CD2 3.34Å; Y132-H143 WeakPolarHBondContact CD1-CD2 3.41Å; Y132-H143 AromaticContact CD1-CG 3.45Å; Y132-H143 VanDerWaalsContact CD1-CG 3.45Å; Y132-H143 AromaticContact CD1-NE2 3.97Å; Y132-H143 AromaticContact CD2-ND1 4Å; Y132-H143 HydrophobicContact CE1-CB 3.64Å; Y132-H143 AromaticContact CE1-CG 3.8Å; Y132-H143 HydrophobicContact CE2-CB 4.42Å; Y132-H143 HydrophobicContact CG-CB 4.31Å; Y132-H143 AromaticContact CG-CD2 3.6Å; Y132-H143 AromaticContact CG-CE1 3.85Å; Y132-H143 AromaticContact CG-CG 3.6Å; Y132-H143 AromaticContact CG-ND1 3.78Å; Y132-H143 AromaticContact CG-NE2 3.78Å
133T92.1Very high90Very high92 Ų9245.3 Ų45.356%0.56423%0.23SC*.EExtended strand (participates in β ladder)trans-133148.3175620000110.6F123 E124 D131F123-T133 CarbonylContact O-C 3.49Å; F123-T133 VanDerWaalsContact O-CA 3.27Å; F123-T133 WeakPolarHBondContact O-CA 3.48Å; E124-T133 HydrophobicContact CB-CG2 4.24Å; E124-T133 HydrophobicContact CG-CG2 3.91Å; D131-T133 PolarHBondContact O-N 3.39Å
134T91.3Very high89.9Confident23 Ų2345.3 Ų45.314%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-158.4156.7177.1-1730000111.9F123 Y132 S136 L139 F140F123-T134 HydrophobicContact CB-CG2 4.14Å; F123-T134 WeakPolarHBondContact CB-O 3.33Å; F123-T134 PolarHBondContact N-O 3.45Å; F123-T134 PolarHBondContact O-N 3.07Å; Y132-T134 HydrophobicContact CE1-CG2 3.69Å; T134-S136 WeakPolarHBondContact CG2-O 3.36Å; T134-S136 PolarHBondContact OG1-N 2.81Å; T134-L139 HydrophobicContact CG2-CB 4.23Å; T134-F140 HydrophobicContact CG2-CB 3.59Å; T134-F140 HydrophobicContact CG2-CD2 4.46Å
135D90.2Very high89.9Confident45 Ų4545.9 Ų45.924%0.24123%0.232CC..SBendtrans-88.5-9.4174-61.9-38.8000112.8L63 R64 L67L63-D135 HydrophobicContact CD2-CB 4.02Å; L63-D135 WeakPolarHBondContact CD2-OD2 2.74Å; L63-D135 HydrophobicContact CG-CB 4.27Å; R64-D135 HydrophobicContact CG-CB 3.75Å; R64-D135 IonicContact CZ-OD1 2.89Å; R64-D135 VanDerWaalsContact CZ-OD1 3.23Å; R64-D135 IonicContact NE-OD1 3.22Å; R64-D135 PolarHBondContact NE-OD1 2.59Å; R64-D135 IonicContact NH2-OD1 2.77Å; R64-D135 PolarHBondContact NH2-OD1 2.78Å; L67-D135 HydrophobicContact CD1-CB 4.49Å
136S89Confident89.9Confident2 Ų251.3 Ų51.31%0.01426%0.256CS..  trans-104.3117.9-174.7178.10000111.6Y25 T134 Y138 L139 F140Y25-S136 PolarHBondContact OH-OG 2.78Å; T134-S136 WeakPolarHBondContact CG2-O 3.36Å; T134-S136 PolarHBondContact OG1-N 2.81Å; S136-Y138 PolarHBondContact O-N 3.47Å; S136-L139 PolarHBondContact O-N 3.31Å; S136-L139 PolarHBondContact OG-N 2.93Å; S136-F140 PolarHBondContact O-N 3.1Å
137A91.7Very high89.8Confident1 Ų151.9 Ų51.91%0.00826%0.259CS..Hα-helixtrans-55.9-37.4174.600000112L68 F71 F123 I141 I211L68-A137 HydrophobicContact CD2-CB 4.19Å; F71-A137 HydrophobicContact CB-CB 4.43Å; F71-A137 HydrophobicContact CD1-CB 3.94Å; F71-A137 HydrophobicContact CD2-CB 4.14Å; F71-A137 HydrophobicContact CE1-CB 4.24Å; F71-A137 HydrophobicContact CE2-CB 4.42Å; F71-A137 HydrophobicContact CG-CB 3.89Å; F71-A137 HydrophobicContact CZ-CB 4.47Å; F123-A137 HydrophobicContact CE1-CB 4.24Å; F123-A137 HydrophobicContact CE2-CB 3.86Å; F123-A137 HydrophobicContact CZ-CB 3.61Å; A137-I141 WeakPolarHBondContact O-CB 3.41Å; A137-I141 VanDerWaalsContact O-CG1 3.26Å; A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.75Å; A137-I211 HydrophobicContact CB-CD1 4.31Å
138Y89.9Confident89.2Confident53 Ų5350.7 Ų50.721%0.20826%0.255CS..Hα-helixtrans-63.8-50.4176.9176.7-91.3000112.1Y25 S136 F140 I141 E142Y25-Y138 AromaticContact CD1-CD1 3.73Å; Y25-Y138 HydrophobicContact CD1-CD1 3.73Å; Y25-Y138 AromaticContact CD1-CD2 3.42Å; Y25-Y138 HydrophobicContact CD1-CD2 3.42Å; Y25-Y138 VanDerWaalsContact CD1-CD2 3.42Å; Y25-Y138 HydrophobicContact CD1-CE1 4Å; Y25-Y138 AromaticContact CD1-CE2 3.7Å; Y25-Y138 HydrophobicContact CD1-CE2 3.7Å; Y25-Y138 AromaticContact CD1-CG 3.43Å; Y25-Y138 HydrophobicContact CD1-CG 3.43Å; Y25-Y138 VanDerWaalsContact CD1-CG 3.43Å; Y25-Y138 AromaticContact CD1-CZ 3.99Å; Y25-Y138 AromaticContact CE1-CD1 3.4Å; Y25-Y138 HydrophobicContact CE1-CD1 3.4Å; Y25-Y138 AromaticContact CE1-CD2 3.63Å; Y25-Y138 HydrophobicContact CE1-CD2 3.63Å; Y25-Y138 HydrophobicContact CE1-CE1 4.1Å; Y25-Y138 HydrophobicContact CE1-CE2 4.29Å; Y25-Y138 AromaticContact CE1-CG 3.12Å; Y25-Y138 HydrophobicContact CE1-CG 3.12Å; Y25-Y138 AromaticContact CG-CD2 3.96Å; Y25-Y138 HydrophobicContact CG-CD2 3.96Å; Y25-Y138 HydrophobicContact CG-CE2 4.25Å; Y25-Y138 HydrophobicContact CG-CG 4.32Å; Y25-Y138 AromaticContact CZ-CG 3.79Å; Y25-Y138 WeakPolarHBondContact OH-CB 3.5Å; S136-Y138 PolarHBondContact O-N 3.47Å; Y138-F140 VanDerWaalsContact C-N 3.29Å; Y138-F140 PolarHBondContact O-N 2.98Å; Y138-I141 WeakPolarHBondContact O-CB 3.39Å; Y138-I141 PolarHBondContact O-N 3.42Å; Y138-I141 VanDerWaalsContact O-N 3.12Å; Y138-E142 HydrophobicContact CD1-CG 4.17Å; Y138-E142 HydrophobicContact CE1-CG 3.71Å; Y138-E142 HydrophobicContact CE2-CG 4.46Å; Y138-E142 PolarHBondContact O-N 2.91Å
139L89.7Confident88.1Confident72 Ų7251.2 Ų51.238%0.37726%0.257SS..Hα-helixtrans-63.9-38.9-179.2-64.9178.3000111.1T134 S136 I141 E142 H143T134-L139 HydrophobicContact CG2-CB 4.23Å; S136-L139 PolarHBondContact O-N 3.31Å; S136-L139 PolarHBondContact OG-N 2.93Å; L139-I141 VanDerWaalsContact C-N 3.27Å; L139-I141 PolarHBondContact O-N 3.12Å; L139-E142 PolarHBondContact O-N 2.99Å; L139-H143 WeakPolarHBondContact O-CB 3.38Å; L139-H143 PolarHBondContact O-N 3.19Å
140F91.9Very high86.5Confident1 Ų148.1 Ų48.10%0.00425%0.245CC..Hα-helixtrans-59.7-42.8174.8-178.1-113.5000111.5F123 C125 T134 S136 Y138 H143 V144 W175 T209 I211F123-F140 HydrophobicContact CB-CB 3.73Å; F123-F140 HydrophobicContact CB-CD1 4.04Å; F123-F140 HydrophobicContact CB-CD2 3.61Å; F123-F140 HydrophobicContact CB-CE2 4.17Å; F123-F140 HydrophobicContact CB-CG 3.52Å; F123-F140 HydrophobicContact CD1-CB 4.5Å; F123-F140 HydrophobicContact CD1-CD1 4Å; F123-F140 HydrophobicContact CD1-CE1 4.44Å; F123-F140 HydrophobicContact CD1-CG 4.27Å; F123-F140 HydrophobicContact CG-CB 4.05Å; F123-F140 HydrophobicContact CG-CD1 4.28Å; F123-F140 HydrophobicContact CG-CG 4.08Å; C125-F140 HydrophobicContact CB-CE2 4.22Å; T134-F140 HydrophobicContact CG2-CB 3.59Å; T134-F140 HydrophobicContact CG2-CD2 4.46Å; S136-F140 PolarHBondContact O-N 3.1Å; Y138-F140 VanDerWaalsContact C-N 3.29Å; Y138-F140 PolarHBondContact O-N 2.98Å; F140-H143 PolarHBondContact O-N 3.15Å; F140-V144 HydrophobicContact CD1-CG2 4.33Å; F140-V144 HydrophobicContact CE1-CG2 4.09Å; F140-V144 HydrophobicContact CE2-CG2 4.25Å; F140-V144 HydrophobicContact CZ-CG2 4.05Å; F140-V144 WeakPolarHBondContact O-CG2 3.42Å; F140-V144 PolarHBondContact O-N 3.42Å; F140-W175 HydrophobicContact CZ-CH2 4.04Å; F140-T209 HydrophobicContact CD1-CG2 4.47Å; F140-T209 HydrophobicContact CE1-CG2 3.8Å; F140-I211 HydrophobicContact CD1-CD1 3.52Å; F140-I211 HydrophobicContact CE1-CD1 4.07Å
141I89.4Confident84.6Confident6 Ų657.3 Ų57.33%0.03128%0.277CS..Hα-helixtrans-65.9-41.6177.6-80.4-46000112.7A137 Y138 L139 V144 K145 R206 T209 I211A137-I141 WeakPolarHBondContact O-CB 3.41Å; A137-I141 VanDerWaalsContact O-CG1 3.26Å; A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.75Å; Y138-I141 WeakPolarHBondContact O-CB 3.39Å; Y138-I141 PolarHBondContact O-N 3.42Å; Y138-I141 VanDerWaalsContact O-N 3.12Å; L139-I141 VanDerWaalsContact C-N 3.27Å; L139-I141 PolarHBondContact O-N 3.12Å; I141-V144 PolarHBondContact O-N 3.35Å; I141-K145 PolarHBondContact O-N 3.13Å; I141-R206 VanDerWaalsContact CG1-NH2 3.33Å; I141-R206 VanDerWaalsContact CG2-CZ 3.43Å; I141-T209 HydrophobicContact CD1-CG2 3.92Å; I141-I211 HydrophobicContact CD1-CB 4.04Å; I141-I211 HydrophobicContact CD1-CD1 3.97Å; I141-I211 HydrophobicContact CD1-CG1 4.49Å; I141-I211 HydrophobicContact CD1-CG2 4.28Å; I141-I211 HydrophobicContact CG1-CB 4.34Å; I141-I211 HydrophobicContact CG1-CD1 4.03Å; I141-I211 HydrophobicContact CG1-CG2 4.05Å
142E87.2Confident82.1Confident64 Ų6454 Ų5430%0.29928%0.28SS..Hα-helixtrans-62.9-46.5175.6-69.4-51.3117.600110.7Y138 L139 V144 K145Y138-E142 HydrophobicContact CD1-CG 4.17Å; Y138-E142 HydrophobicContact CE1-CG 3.71Å; Y138-E142 HydrophobicContact CE2-CG 4.46Å; Y138-E142 PolarHBondContact O-N 2.91Å; L139-E142 PolarHBondContact O-N 2.99Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.44Å; E142-K145 VanDerWaalsContact O-CB 3.32Å; E142-K145 WeakPolarHBondContact O-CB 3.41Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.12Å; E142-K145 VanDerWaalsContact OE1-CE 3.26Å; E142-K145 WeakPolarHBondContact OE1-CE 3.37Å; E142-K145 IonicContact OE1-NZ 3.67Å; E142-K145 PolarHBondContact OE1-NZ 3.4Å; E142-K145 IonicContact OE2-NZ 3.04Å; E142-K145 PolarHBondContact OE2-NZ 3.29Å
143H90.3Very high79.6Confident12 Ų1255.8 Ų55.86%0.05629%0.294CS..Hα-helixtrans-57.4-42.7174.716863.2000112.4C125 C130 Y132 L139 F140 K145 E146 H147C125-H143 PolarHBondContact SG-NE2 3.07Å; C125-H143 VanDerWaalsContact SG-NE2 3.4Å; C130-H143 PolarHBondContact SG-CE1 3.19Å; C130-H143 PolarHBondContact SG-NE2 3.41Å; Y132-H143 WeakPolarHBondContact CB-NE2 3.39Å; Y132-H143 HydrophobicContact CD1-CB 3.84Å; Y132-H143 AromaticContact CD1-CD2 3.34Å; Y132-H143 WeakPolarHBondContact CD1-CD2 3.41Å; Y132-H143 AromaticContact CD1-CG 3.45Å; Y132-H143 VanDerWaalsContact CD1-CG 3.45Å; Y132-H143 AromaticContact CD1-NE2 3.97Å; Y132-H143 AromaticContact CD2-ND1 4Å; Y132-H143 HydrophobicContact CE1-CB 3.64Å; Y132-H143 AromaticContact CE1-CG 3.8Å; Y132-H143 HydrophobicContact CE2-CB 4.42Å; Y132-H143 HydrophobicContact CG-CB 4.31Å; Y132-H143 AromaticContact CG-CD2 3.6Å; Y132-H143 AromaticContact CG-CE1 3.85Å; Y132-H143 AromaticContact CG-CG 3.6Å; Y132-H143 AromaticContact CG-ND1 3.78Å; Y132-H143 AromaticContact CG-NE2 3.78Å; L139-H143 WeakPolarHBondContact O-CB 3.38Å; L139-H143 PolarHBondContact O-N 3.19Å; F140-H143 PolarHBondContact O-N 3.15Å; H143-K145 PolarHBondContact O-N 3.03Å; H143-K145 VanDerWaalsContact O-N 3.1Å; H143-E146 IonicContact CE1-OE2 2.64Å; H143-E146 IonicContact CG-OE2 3.16Å; H143-E146 IonicContact ND1-OE2 2.9Å; H143-E146 PolarHBondContact ND1-OE2 3.42Å; H143-E146 WeakPolarHBondContact O-CB 3.5Å; H143-E146 WeakPolarHBondContact O-CG 3.22Å; H143-E146 PolarHBondContact O-N 3.41Å; H143-H147 AromaticContact CD2-NE2 3.87Å; H143-H147 AromaticContact CE1-CE1 3.79Å; H143-H147 AromaticContact CE1-NE2 3.3Å; H143-H147 PolarHBondContact CE1-NE2 3.26Å; H143-H147 VanDerWaalsContact CE1-NE2 3.3Å; H143-H147 AromaticContact NE2-CD2 3.89Å; H143-H147 AromaticContact NE2-CE1 3.79Å; H143-H147 AromaticContact NE2-NE2 2.93Å; H143-H147 PolarHBondContact NE2-NE2 3.24Å
144V89.3Confident77Confident2 Ų258.9 Ų58.91%0.01231%0.307CS..Hα-helixtrans-59.8-27.3-179.51680000112.6F140 I141 E142 E146 H147 W175 V205 T209F140-V144 HydrophobicContact CD1-CG2 4.33Å; F140-V144 HydrophobicContact CE1-CG2 4.09Å; F140-V144 HydrophobicContact CE2-CG2 4.25Å; F140-V144 HydrophobicContact CZ-CG2 4.05Å; F140-V144 WeakPolarHBondContact O-CG2 3.42Å; F140-V144 PolarHBondContact O-N 3.42Å; I141-V144 PolarHBondContact O-N 3.35Å; E142-V144 VanDerWaalsContact C-N 3.32Å; E142-V144 PolarHBondContact O-N 3.44Å; V144-E146 PolarHBondContact O-N 3.27Å; V144-H147 PolarHBondContact O-N 3.3Å; V144-W175 HydrophobicContact CG1-CZ3 4.44Å; V144-W175 HydrophobicContact CG2-CH2 4.27Å; V144-W175 HydrophobicContact CG2-CZ3 4.26Å; V144-V205 HydrophobicContact CG1-CG1 3.77Å; V144-T209 HydrophobicContact CB-CG2 4.3Å; V144-T209 HydrophobicContact CG1-CG2 3.89Å; V144-T209 HydrophobicContact CG2-CG2 3.82Å
145K88Confident74.6Confident53 Ų5363.9 Ų63.923%0.2333%0.333CS..Hα-helixtrans-64.9-26.7175.2-57.2178.6-173.5167.70112.5I141 E142 H143 H147 D148I141-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-CB 3.32Å; E142-K145 WeakPolarHBondContact O-CB 3.41Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.12Å; E142-K145 VanDerWaalsContact OE1-CE 3.26Å; E142-K145 WeakPolarHBondContact OE1-CE 3.37Å; E142-K145 IonicContact OE1-NZ 3.67Å; E142-K145 PolarHBondContact OE1-NZ 3.4Å; E142-K145 IonicContact OE2-NZ 3.04Å; E142-K145 PolarHBondContact OE2-NZ 3.29Å; H143-K145 PolarHBondContact O-N 3.03Å; H143-K145 VanDerWaalsContact O-N 3.1Å; K145-H147 VanDerWaalsContact C-N 3.26Å; K145-H147 PolarHBondContact O-N 3.14Å; K145-D148 WeakPolarHBondContact O-CB 3.26Å; K145-D148 PolarHBondContact O-N 3.31Å; K145-D148 VanDerWaalsContact O-N 3.11Å
146E88.2Confident72.2Confident123 Ų12368 Ų6858%0.57536%0.355SS*.Hα-helixtrans-66.1-32-179.8-58174.2160.700111H143 V144 D148 F149H143-E146 IonicContact CE1-OE2 2.64Å; H143-E146 IonicContact CG-OE2 3.16Å; H143-E146 IonicContact ND1-OE2 2.9Å; H143-E146 PolarHBondContact ND1-OE2 3.42Å; H143-E146 WeakPolarHBondContact O-CB 3.5Å; H143-E146 WeakPolarHBondContact O-CG 3.22Å; H143-E146 PolarHBondContact O-N 3.41Å; V144-E146 PolarHBondContact O-N 3.27Å; E146-D148 PolarHBondContact O-N 3.37Å; E146-F149 PolarHBondContact O-N 3.23Å
147H87.1Confident69.7Low31 Ų3175 Ų7514%0.14439%0.393CS..THydrogen-bonded Turntrans-69.3-17.1175.5-63.7-49.8000113.6C125 W127 H143 V144 K145C125-H147 PolarHBondContact SG-NE2 2.86Å; W127-H147 AromaticContact CD1-CE1 3.73Å; W127-H147 AromaticContact CD1-ND1 3.32Å; W127-H147 VanDerWaalsContact CD1-ND1 3.32Å; W127-H147 HydrophobicContact CD2-CB 3.72Å; W127-H147 AromaticContact CD2-CG 3.56Å; W127-H147 AromaticContact CD2-ND1 3.71Å; W127-H147 AromaticContact CE2-CG 3.95Å; W127-H147 AromaticContact CE2-ND1 3.85Å; W127-H147 HydrophobicContact CE3-CB 3.75Å; W127-H147 AromaticContact CE3-CG 3.91Å; W127-H147 HydrophobicContact CG-CB 4.29Å; W127-H147 AromaticContact CG-CE1 3.68Å; W127-H147 AromaticContact CG-CG 3.6Å; W127-H147 AromaticContact CG-ND1 3.36Å; W127-H147 HydrophobicContact CH2-CB 3.96Å; W127-H147 HydrophobicContact CZ2-CB 3.98Å; W127-H147 HydrophobicContact CZ3-CB 3.88Å; W127-H147 AromaticContact NE1-ND1 3.61Å; H143-H147 AromaticContact CD2-NE2 3.87Å; H143-H147 AromaticContact CE1-CE1 3.79Å; H143-H147 AromaticContact CE1-NE2 3.3Å; H143-H147 PolarHBondContact CE1-NE2 3.26Å; H143-H147 VanDerWaalsContact CE1-NE2 3.3Å; H143-H147 AromaticContact NE2-CD2 3.89Å; H143-H147 AromaticContact NE2-CE1 3.79Å; H143-H147 AromaticContact NE2-NE2 2.93Å; H143-H147 PolarHBondContact NE2-NE2 3.24Å; V144-H147 PolarHBondContact O-N 3.3Å; K145-H147 VanDerWaalsContact C-N 3.26Å; K145-H147 PolarHBondContact O-N 3.14Å
148D76.3Confident67.4Low1 Ų180.3 Ų80.31%0.00542%0.42CS..THydrogen-bonded Turntrans-83.1-24.7172.4-57.7-46.7000111.3K145 E146 P150 R198 F201 H202 V205K145-D148 WeakPolarHBondContact O-CB 3.26Å; K145-D148 PolarHBondContact O-N 3.31Å; K145-D148 VanDerWaalsContact O-N 3.11Å; E146-D148 PolarHBondContact O-N 3.37Å; D148-P150 WeakPolarHBondContact O-CD 3.1Å; D148-R198 PolarHBondContact O-NH1 2.92Å; D148-R198 PolarHBondContact O-NH2 2.81Å; D148-F201 HydrophobicContact CB-CD1 4.33Å; D148-F201 VanDerWaalsContact OD1-CD1 3.27Å; D148-F201 WeakPolarHBondContact OD1-CD1 3.38Å; D148-F201 WeakPolarHBondContact OD1-CE1 3.49Å; D148-H202 WeakPolarHBondContact OD2-CA 3.44Å; D148-H202 IonicContact OD2-CE1 3.97Å; D148-H202 IonicContact OD2-CG 3.51Å; D148-H202 IonicContact OD2-ND1 2.84Å; D148-H202 PolarHBondContact OD2-ND1 3.37Å; D148-V205 WeakPolarHBondContact OD1-CB 3.28Å; D148-V205 WeakPolarHBondContact OD1-CG2 3.44Å
149F67.9Low65.2Low92 Ų9282.5 Ų82.540%0.40444%0.436SS..  trans-105.489.2-174-85.3-84.8000113.5E146 Y151 D153 R198E146-F149 PolarHBondContact O-N 3.23Å; F149-Y151 PolarHBondContact O-N 2.89Å; F149-Y151 VanDerWaalsContact O-N 3.16Å; F149-D153 VanDerWaalsContact CE1-O 3.29Å; F149-D153 WeakPolarHBondContact CE1-O 3.36Å; F149-R198 VanDerWaalsContact CA-NH2 3.26Å; F149-R198 VanDerWaalsContact CE1-NH2 3.26Å; F149-R198 VanDerWaalsContact CZ-NH2 3.33Å
150P54.4Low63Low80 Ų8083.3 Ų83.352%0.51945%0.446SS..SBendtrans-74.1103.6155.229.8-27000107.4D148 L171D148-P150 WeakPolarHBondContact O-CD 3.1Å; P150-L171 HydrophobicContact CG-CD2 4.33Å
151Y48.4Very low60.5Low222 Ų22289.6 Ų89.687%0.87148%0.48SS*.SBendtrans81.189.1176.9-52.7-83.3000117.3F149 D153F149-Y151 PolarHBondContact O-N 2.89Å; F149-Y151 VanDerWaalsContact O-N 3.16Å; Y151-D153 PolarHBondContact O-N 3.44Å; Y151-D153 VanDerWaalsContact O-N 3.13Å
152G38.6Very low58.2Low85 Ų8596.6 Ų96.688%0.87652%0.518SS*.  61.423.7120.100000122.9
153D40.4Very low56.4Low111 Ų111102.5 Ų102.559%0.59455%0.545SS*.  trans-110.293.5169.3-162.13.6000111.6F149 Y151 N155F149-D153 VanDerWaalsContact CE1-O 3.29Å; F149-D153 WeakPolarHBondContact CE1-O 3.36Å; Y151-D153 PolarHBondContact O-N 3.44Å; Y151-D153 VanDerWaalsContact O-N 3.13Å; D153-N155 PolarHBondContact O-N 2.94Å
154D37.3Very low54.3Low158 Ų158109.5 Ų109.585%0.84558%0.583SS**  trans-69.778.5173.5-95.2-30.8000110.1
155N41.8Very low52.3Low128 Ų128116.6 Ų116.668%0.68462%0.621SS**  trans-156.8127.5161.8-86-52000113.9D153D153-N155 PolarHBondContact O-N 2.94Å
156N39.9Very low50.4Low130 Ų130120 Ų12070%0.69564%0.642SS**  trans87.587.5161.1-62.5-36.8000119.4N158N156-N158 HydrophobicContact CB-CB 4.49Å; N156-N158 PolarHBondContact O-N 2.75Å; N156-N158 VanDerWaalsContact O-N 3.07Å
157N36.8Very low48.7Very low151 Ų151117.1 Ų117.181%0.80764%0.635SS**  trans-48.299.6136.2-76.4-50.5000109.9
158N43.7Very low47.3Very low111 Ų111122.8 Ų122.859%0.59467%0.667SS**  trans-144.295.5172.2-95.4-21.8000110N156 C160N156-N158 HydrophobicContact CB-CB 4.49Å; N156-N158 PolarHBondContact O-N 2.75Å; N156-N158 VanDerWaalsContact O-N 3.07Å; N158-C160 WeakPolarHBondContact CB-SG 3.35Å; N158-C160 PolarHBondContact O-N 3.33Å
159D42.6Very low46.8Very low100 Ų100126.6 Ų126.654%0.53569%0.69SS.*  trans-74.268161.3-138.728.5000106.2R213 Y214D159-R213 IonicContact OD1-CZ 2.68Å; D159-R213 IonicContact OD1-NH1 3.81Å; D159-R213 PolarHBondContact OD1-NH1 2.91Å; D159-R213 IonicContact OD1-NH2 3.91Å; D159-R213 IonicContact OD2-CZ 2.9Å; D159-R213 IonicContact OD2-NH1 3.76Å; D159-R213 PolarHBondContact OD2-NH1 2.97Å; D159-R213 IonicContact OD2-NH2 3.97Å; D159-R213 PolarHBondContact OD2-NH2 2.66Å; D159-Y214 PolarHBondContact OD2-OH 3.04Å
160C43.6Very low47.5Very low88 Ų88130.2 Ų130.260%0.59571%0.705SS**  trans-135132.7170.841.60000111.2N158N158-C160 WeakPolarHBondContact CB-SG 3.35Å; N158-C160 PolarHBondContact O-N 3.33Å
161D39.4Very low49Very low134 Ų134127.4 Ų127.472%0.71769%0.686SS**  trans-57.9140.8176.5-60.5-58.7000110.7
162D41.3Very low50.9Low152 Ų152119.7 Ų119.781%0.81366%0.662SS**  trans62.4113.7160.3-48.6-42.3000116.1
163E49.2Very low53.4Low189 Ų189115.6 Ų115.688%0.88362%0.62SS**  -163.915583.3-81.5-174.2166.900110.8N165E163-N165 PolarHBondContact O-N 3.23Å
164D46.4Very low55.9Low158 Ų158113.1 Ų113.185%0.84561%0.607SS**  trans-41.296.6-178.9-87.5-41.8000115.6
165N47.4Very low58.3Low151 Ų151105.7 Ų105.781%0.80757%0.567SS**  trans-97.581.8151.9-89.9-38.7000109E163 S167E163-N165 PolarHBondContact O-N 3.23Å; N165-S167 PolarHBondContact O-N 3.12Å
166N46.9Very low60.4Low125 Ų125101.5 Ų101.567%0.66854%0.543SS*.  trans-68.269.8169.8-175.123.3000110.3
167S54.3Low61.8Low62 Ų6295.9 Ų95.943%0.43451%0.514SS..  trans-84.6118157.568.20000107.3N165 T169N165-S167 PolarHBondContact O-N 3.12Å; S167-T169 PolarHBondContact O-N 2.9Å; S167-T169 PolarHBondContact OG-OG1 2.93Å
168N55.9Low63Low151 Ų15192.9 Ų92.981%0.80750%0.497SS*.  trans-67.325.6-175.1-108.4-25.2000114K170N168-K170 PolarHBondContact O-N 3.12Å
169T67.2Low63.5Low80 Ų8090.4 Ų90.449%0.49149%0.489SS..  trans-91.3105.5-178.5540000109.8S167 L171S167-T169 PolarHBondContact O-N 2.9Å; S167-T169 PolarHBondContact OG-OG1 2.93Å; T169-L171 PolarHBondContact O-N 3.36Å
170K81.4Confident64Low168 Ų16891.2 Ų91.273%0.7349%0.489SS*.  trans-70.299.2172-72.4179.6-178.4174.50109.2N168 I194N168-K170 PolarHBondContact O-N 3.12Å; K170-I194 HydrophobicContact CB-CG2 3.85Å; K170-I194 HydrophobicContact CD-CG2 4.45Å; K170-I194 HydrophobicContact CG-CG2 4.21Å
171L86Confident64Low21 Ų2194.3 Ų94.311%0.1150%0.5CS..EExtended strand (participates in β ladder)trans-77.6128.7175-62171.8000109.4P150 T169 I194 S195 R198 F201P150-L171 HydrophobicContact CG-CD2 4.33Å; T169-L171 PolarHBondContact O-N 3.36Å; L171-I194 CarbonylContact O-C 3.59Å; L171-I194 VanDerWaalsContact O-CA 3.31Å; L171-I194 WeakPolarHBondContact O-CA 3.4Å; L171-S195 PolarHBondContact N-O 3.3Å; L171-S195 PolarHBondContact O-N 3.02Å; L171-R198 HydrophobicContact CD1-CB 4.37Å; L171-R198 HydrophobicContact CD1-CG 4.33Å; L171-F201 HydrophobicContact CB-CB 4.2Å; L171-F201 HydrophobicContact CB-CD1 3.87Å; L171-F201 HydrophobicContact CB-CD2 3.54Å; L171-F201 HydrophobicContact CB-CE1 4.02Å; L171-F201 HydrophobicContact CB-CE2 3.7Å; L171-F201 HydrophobicContact CB-CG 3.59Å; L171-F201 HydrophobicContact CB-CZ 3.91Å; L171-F201 HydrophobicContact CD1-CB 3.78Å; L171-F201 HydrophobicContact CD1-CD1 3.76Å; L171-F201 HydrophobicContact CD1-CE1 4.46Å; L171-F201 HydrophobicContact CD1-CG 3.79Å; L171-F201 HydrophobicContact CG-CD1 4.38Å; L171-F201 HydrophobicContact CG-CG 4.34Å
172T89.9Confident63.9Low60 Ų6090.4 Ų90.437%0.36848%0.483SS..EExtended strand (participates in β ladder)trans-114.7126.6-177.4-56.50000109.9L174 I194T172-L174 HydrophobicContact CG2-CD2 4.41Å; T172-L174 PolarHBondContact O-N 2.92Å; T172-I194 HydrophobicContact CG2-CG1 4.26Å
173C91.2Very high64.2Low0 Ų092.2 Ų92.20%049%0.492CS..  trans-77.3121.8-179178.40000110W175 C191 G192 S193 F201 H204 H208C173-W175 VanDerWaalsContact SG-CB 3.54Å; C173-C191 HydrophobicContact CB-CB 4.32Å; C173-G192 WeakPolarHBondContact O-CA 3.21Å; C173-G192 PolarHBondContact O-N 3.09Å; C173-S193 PolarHBondContact N-O 3.01Å; C173-F201 HydrophobicContact CB-CE2 3.96Å; C173-F201 HydrophobicContact CB-CZ 4.37Å; C173-H204 VanDerWaalsContact CB-NE2 3.3Å; C173-H204 WeakPolarHBondContact CB-NE2 3.32Å; C173-H204 PolarHBondContact SG-NE2 3.26Å; C173-H208 PolarHBondContact SG-NE2 2.98Å; C173-H208 VanDerWaalsContact SG-NE2 3.43Å
174L90.9Very high63.8Low59 Ų5987.2 Ų87.231%0.30947%0.474SS..  trans-101.616.4179.8-55.3179.9000112.9W127 K128 T172 Q176 I190W127-L174 HydrophobicContact CD2-CB 4.14Å; W127-L174 HydrophobicContact CZ2-CB 3.93Å; W127-L174 HydrophobicContact CZ2-CD1 4.4Å; W127-L174 HydrophobicContact CZ2-CG 4.1Å; K128-L174 HydrophobicContact CB-CB 3.78Å; K128-L174 WeakPolarHBondContact CB-O 3.41Å; K128-L174 PolarHBondContact N-O 2.92Å; T172-L174 HydrophobicContact CG2-CD2 4.41Å; T172-L174 PolarHBondContact O-N 2.92Å; L174-Q176 PolarHBondContact O-N 3.29Å; L174-I190 HydrophobicContact CD2-CG2 4.44Å
175W89.1Confident63.9Low1 Ų187.2 Ų87.20%0.00447%0.473CS..BIsolated β-bridgetrans-63.2127.4177.7-159.5-76.6000111.4Q126 W127 F140 V144 C173 I190 C191 V205 H208 T209Q126-W175 HydrophobicContact CB-CD2 4.39Å; Q126-W175 HydrophobicContact CB-CZ2 3.98Å; Q126-W175 HydrophobicContact CG-CZ2 4.24Å; W127-W175 HydrophobicContact CE3-CB 4.49Å; W127-W175 HydrophobicContact CE3-CE3 4.01Å; F140-W175 HydrophobicContact CZ-CH2 4.04Å; V144-W175 HydrophobicContact CG1-CZ3 4.44Å; V144-W175 HydrophobicContact CG2-CH2 4.27Å; V144-W175 HydrophobicContact CG2-CZ3 4.26Å; C173-W175 VanDerWaalsContact SG-CB 3.54Å; W175-I190 CarbonylContact O-C 3.57Å; W175-I190 WeakPolarHBondContact O-CA 3.31Å; W175-C191 HydrophobicContact CB-CB 4.29Å; W175-C191 PolarHBondContact O-N 3.45Å; W175-V205 HydrophobicContact CE3-CG1 4.21Å; W175-V205 HydrophobicContact CZ3-CG1 4.31Å; W175-H208 AromaticContact CD1-CG 3.67Å; W175-H208 AromaticContact CD1-ND1 3.61Å; W175-H208 HydrophobicContact CD2-CB 3.34Å; W175-H208 AromaticContact CD2-CD2 3.94Å; W175-H208 AromaticContact CD2-CG 3.64Å; W175-H208 HydrophobicContact CE3-CB 3.77Å; W175-H208 HydrophobicContact CG-CB 3.7Å; W175-H208 AromaticContact CG-CD2 3.61Å; W175-H208 AromaticContact CG-CG 3.44Å; W175-H208 VanDerWaalsContact CG-CG 3.44Å; W175-H208 AromaticContact CG-ND1 3.76Å; W175-H208 HydrophobicContact CH2-CB 4.25Å; W175-H208 HydrophobicContact CZ2-CB 3.85Å; W175-H208 HydrophobicContact CZ3-CB 4.21Å; W175-H208 AromaticContact NE1-CG 3.98Å; W175-T209 HydrophobicContact CH2-CG2 4.26Å
176Q84.6Confident63.9Low40 Ų4084.4 Ų84.419%0.18747%0.465CS..EExtended strand (participates in β ladder)trans-91.8130177.7-63.9176-31.600109.4Q126 L174 I190Q126-Q176 WeakPolarHBondContact CB-O 3.17Å; Q126-Q176 WeakPolarHBondContact O-CB 3.48Å; Q126-Q176 PolarHBondContact O-N 3.48Å; L174-Q176 PolarHBondContact O-N 3.29Å; Q176-I190 HydrophobicContact CG-CG1 4.19Å
177S69.8Low63.9Low13 Ų1383.9 Ų83.99%0.09146%0.462CS..EExtended strand (participates in β ladder)trans-95.4123.4170.9-70.80000109.9S179 S189 S328S177-S179 PolarHBondContact O-N 2.94Å; S177-S189 PolarHBondContact N-O 3.36Å; S177-S328 WeakPolarHBondContact OG-CB 3.42Å; S177-S328 PolarHBondContact OG-OG 3.16Å
178L62.2Low64.2Low87 Ų8785.5 Ų85.546%0.45546%0.462SS..PPolyproline II helixtrans-69.5120168.3-61.2176.5000108.6Y331L178-Y331 HydrophobicContact CD1-CD2 3.88Å; L178-Y331 HydrophobicContact CD1-CE2 3.53Å
179S54.2Low65.1Low59 Ų5981.5 Ų81.541%0.41345%0.447SS..PPolyproline II helixtrans-72.312816552.70000108.7S177 D181 S182S177-S179 PolarHBondContact O-N 2.94Å; S179-D181 PolarHBondContact O-N 2.77Å; S179-D181 VanDerWaalsContact O-N 3.1Å; S179-S182 WeakPolarHBondContact OG-CB 3.49Å; S179-S182 PolarHBondContact OG-OG 3.19Å
180E52.5Low65.8Low117 Ų11781.3 Ų81.355%0.54744%0.442SS..THydrogen-bonded Turntrans-62.5-13.5179.6-77.5164.4-176.400113.6R333E180-R333 IonicContact OE1-CZ 3.25Å; E180-R333 IonicContact OE1-NE 3.58Å; E180-R333 PolarHBondContact OE1-NE 3.07Å; E180-R333 IonicContact OE1-NH1 2.65Å; E180-R333 PolarHBondContact OE1-NH1 3.35Å; E180-R333 IonicContact OE1-NH2 3.01Å; E180-R333 PolarHBondContact OE1-NH2 2.96Å; E180-R333 IonicContact OE2-CZ 3.2Å; E180-R333 IonicContact OE2-NH1 2.9Å; E180-R333 PolarHBondContact OE2-NH1 2.91Å; E180-R333 IonicContact OE2-NH2 2.66Å; E180-R333 PolarHBondContact OE2-NH2 2.9Å
181D43.9Very low66.1Low154 Ų15473.9 Ų73.982%0.82441%0.411SS*.THydrogen-bonded Turntrans-118.111.5-165.8-70.9-38.5000116.3S179S179-D181 PolarHBondContact O-N 2.77Å; S179-D181 VanDerWaalsContact O-N 3.1Å
182S38.6Very low66.1Low51 Ų5174.3 Ų74.336%0.35742%0.421SS..  trans-115.394-168.4-55.70000113.4S179 T184S179-S182 WeakPolarHBondContact OG-CB 3.49Å; S179-S182 PolarHBondContact OG-OG 3.19Å; S182-T184 WeakPolarHBondContact CB-O 3.35Å; S182-T184 PolarHBondContact O-N 3.08Å; S182-T184 VanDerWaalsContact O-N 3.13Å
183L46.3Very low65.9Low190 Ų19072.6 Ų72.6100%0.99541%0.411SS*.SBendtrans-63.82.6155.1-75.3162.8000112.4
184T41.3Very low65.6Low84 Ų8477.7 Ų77.752%0.51544%0.437SS..SBendtrans-110.1115.3172.7520000109.7S182 S186S182-T184 WeakPolarHBondContact CB-O 3.35Å; S182-T184 PolarHBondContact O-N 3.08Å; S182-T184 VanDerWaalsContact O-N 3.13Å; T184-S186 PolarHBondContact O-N 3.22Å
185I47.8Very low65.2Low159 Ų15976 Ų7682%0.81543%0.43SS*.THydrogen-bonded Turntrans-59.9-3.2-178.1-67.3166.4000113.6
186S47.6Very low64.9Low91 Ų9178.5 Ų78.564%0.63646%0.456SS*.THydrogen-bonded Turntrans-83.6-18.4-164.659.80000117.5T184T184-S186 PolarHBondContact O-N 3.22Å
187D47.8Very low64.8Low114 Ų11478.8 Ų78.861%0.6146%0.462SS*.  trans-117.244.9-169-73.4-4.7000114.4S189D187-S189 PolarHBondContact O-N 2.66Å
188Q60.8Low65.5Low96 Ų9682.1 Ų82.145%0.44947%0.473SS..  trans-69.799167.3-72169.43.200110I190Q188-I190 PolarHBondContact O-N 3.18Å
189S74.4Confident66.5Low68 Ų6881.6 Ų81.648%0.47648%0.476SS..EExtended strand (participates in β ladder)trans-76117.1177.571.30000110.3S177 D187S177-S189 PolarHBondContact N-O 3.36Å; D187-S189 PolarHBondContact O-N 2.66Å
190I82.4Confident67.9Low76 Ų7683.2 Ų83.239%0.3948%0.477SS..EExtended strand (participates in β ladder)trans-73.6137169.1-60.9172.4000108.9K128 L174 W175 Q176 Q188 G192K128-I190 HydrophobicContact CD-CD1 4.32Å; L174-I190 HydrophobicContact CD2-CG2 4.44Å; W175-I190 CarbonylContact O-C 3.57Å; W175-I190 WeakPolarHBondContact O-CA 3.31Å; Q176-I190 HydrophobicContact CG-CG1 4.19Å; Q188-I190 PolarHBondContact O-N 3.18Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.21Å
191C86.5Confident69.7Low11 Ų1177.8 Ų77.87%0.07445%0.452CS..  trans-53.6-49177.7178.40000111.8C173 W175 S193 H204 H208C173-C191 HydrophobicContact CB-CB 4.32Å; W175-C191 HydrophobicContact CB-CB 4.29Å; W175-C191 PolarHBondContact O-N 3.45Å; C191-S193 PolarHBondContact O-N 3.28Å; C191-S193 VanDerWaalsContact O-N 3.08Å; C191-S193 PolarHBondContact SG-OG 2.94Å; C191-H204 PolarHBondContact SG-CE1 3.41Å; C191-H204 PolarHBondContact SG-NE2 3.46Å; C191-H208 PolarHBondContact SG-NE2 3.32Å
192G86.1Confident71.7Confident31 Ų3173.7 Ų73.732%0.3243%0.428SS..  trans63.416.2174.200000113.8C173 I190C173-G192 WeakPolarHBondContact O-CA 3.21Å; C173-G192 PolarHBondContact O-N 3.09Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.21Å
193S85.5Confident73.9Confident24 Ų2476.5 Ų76.517%0.16843%0.431CS..  trans-71.3130.8177.9-68.60000109.8C173 C191 H204C173-S193 PolarHBondContact N-O 3.01Å; C191-S193 PolarHBondContact O-N 3.28Å; C191-S193 VanDerWaalsContact O-N 3.08Å; C191-S193 PolarHBondContact SG-OG 2.94Å; S193-H204 WeakPolarHBondContact CB-CE1 3.41Å; S193-H204 WeakPolarHBondContact CB-NE2 3.2Å; S193-H204 PolarHBondContact OG-CE1 3.44Å; S193-H204 VanDerWaalsContact OG-CE1 3.31Å
194I85.7Confident75.9Confident107 Ų10768 Ų6855%0.54939%0.386SS..EExtended strand (participates in β ladder)trans-104.9132-179.5-57.1171.7000108.4K170 L171 T172K170-I194 HydrophobicContact CB-CG2 3.85Å; K170-I194 HydrophobicContact CD-CG2 4.45Å; K170-I194 HydrophobicContact CG-CG2 4.21Å; L171-I194 CarbonylContact O-C 3.59Å; L171-I194 VanDerWaalsContact O-CA 3.31Å; L171-I194 WeakPolarHBondContact O-CA 3.4Å; T172-I194 HydrophobicContact CG2-CG1 4.26Å
195S82.6Confident78.1Confident23 Ų2364 Ų6416%0.16136%0.361CS..EExtended strand (participates in β ladder)trans-125.3131.7170.8-63.30000109.4L171 C197L171-S195 PolarHBondContact N-O 3.3Å; L171-S195 PolarHBondContact O-N 3.02Å; S195-C197 VanDerWaalsContact C-N 3.27Å
196G81.6Confident80Confident54 Ų5458.2 Ų58.256%0.55733%0.329SS*.SBendtrans-86.11171.100000113.4
197C83.1Confident81.8Confident46 Ų4657.7 Ų57.731%0.31131%0.313SS..SBendtrans-125.6128.2-179.4172.80000109S195 S199 H200 F201S195-C197 VanDerWaalsContact C-N 3.27Å; C197-S199 PolarHBondContact SG-OG 3.23Å; C197-H200 HydrophobicContact CB-CB 3.99Å; C197-H200 PolarHBondContact O-N 3.07Å; C197-F201 PolarHBondContact O-N 2.95Å
198R84.4Confident83.5Confident82 Ų8252.3 Ų52.331%0.30928%0.284SS..Hα-helixtrans-65.1-43.1-175.3-172.8169.1-176.966.322.5113D148 F149 L171 H200 F201 H202D148-R198 PolarHBondContact O-NH1 2.92Å; D148-R198 PolarHBondContact O-NH2 2.81Å; F149-R198 VanDerWaalsContact CA-NH2 3.26Å; F149-R198 VanDerWaalsContact CE1-NH2 3.26Å; F149-R198 VanDerWaalsContact CZ-NH2 3.33Å; L171-R198 HydrophobicContact CD1-CB 4.37Å; L171-R198 HydrophobicContact CD1-CG 4.33Å; R198-H200 VanDerWaalsContact C-N 3.29Å; R198-H200 PolarHBondContact O-N 3.37Å; R198-F201 WeakPolarHBondContact O-CB 3.46Å; R198-F201 PolarHBondContact O-N 3.22Å; R198-H202 WeakPolarHBondContact O-CB 3.4Å; R198-H202 PolarHBondContact O-N 3.38Å
199S82.7Confident84.7Confident76 Ų7647.7 Ų47.753%0.53126%0.263SS..Hα-helixtrans-64.1-36.917764.60000111.8C197 R203C197-S199 PolarHBondContact SG-OG 3.23Å; S199-R203 WeakPolarHBondContact O-CB 3.25Å; S199-R203 PolarHBondContact O-N 3.1Å
200H84.6Confident85.1Confident93 Ų9344.8 Ų44.843%0.43124%0.244SC..Hα-helixtrans-68-39.4174-71.2179.4000112.5C197 R198 R203 H204C197-H200 HydrophobicContact CB-CB 3.99Å; C197-H200 PolarHBondContact O-N 3.07Å; R198-H200 VanDerWaalsContact C-N 3.29Å; R198-H200 PolarHBondContact O-N 3.37Å; H200-R203 PolarHBondContact CD2-NH2 3.47Å; H200-R203 PolarHBondContact NE2-NH2 3.27Å; H200-R203 VanDerWaalsContact NE2-NH2 3.16Å; H200-H204 VanDerWaalsContact O-CB 3.26Å; H200-H204 WeakPolarHBondContact O-CB 3.25Å; H200-H204 PolarHBondContact O-N 2.84Å
201F89.1Confident85.5Confident4 Ų441.4 Ų41.42%0.01823%0.226CC..Hα-helixtrans-63.6-51.1174.8-169.8-107.1000111.4W127 D148 L171 C173 C197 R198 R203 H204 V205W127-F201 HydrophobicContact CH2-CE1 4.15Å; W127-F201 AromaticContact CH2-CZ 3.79Å; W127-F201 HydrophobicContact CH2-CZ 3.79Å; D148-F201 HydrophobicContact CB-CD1 4.33Å; D148-F201 VanDerWaalsContact OD1-CD1 3.27Å; D148-F201 WeakPolarHBondContact OD1-CD1 3.38Å; D148-F201 WeakPolarHBondContact OD1-CE1 3.49Å; L171-F201 HydrophobicContact CB-CB 4.2Å; L171-F201 HydrophobicContact CB-CD1 3.87Å; L171-F201 HydrophobicContact CB-CD2 3.54Å; L171-F201 HydrophobicContact CB-CE1 4.02Å; L171-F201 HydrophobicContact CB-CE2 3.7Å; L171-F201 HydrophobicContact CB-CG 3.59Å; L171-F201 HydrophobicContact CB-CZ 3.91Å; L171-F201 HydrophobicContact CD1-CB 3.78Å; L171-F201 HydrophobicContact CD1-CD1 3.76Å; L171-F201 HydrophobicContact CD1-CE1 4.46Å; L171-F201 HydrophobicContact CD1-CG 3.79Å; L171-F201 HydrophobicContact CG-CD1 4.38Å; L171-F201 HydrophobicContact CG-CG 4.34Å; C173-F201 HydrophobicContact CB-CE2 3.96Å; C173-F201 HydrophobicContact CB-CZ 4.37Å; C197-F201 PolarHBondContact O-N 2.95Å; R198-F201 WeakPolarHBondContact O-CB 3.46Å; R198-F201 PolarHBondContact O-N 3.22Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 2.94Å; F201-H204 CarbonylContact O-C 3.53Å; F201-H204 WeakPolarHBondContact O-CA 3.4Å; F201-H204 VanDerWaalsContact O-CB 3.26Å; F201-H204 WeakPolarHBondContact O-CB 3.43Å; F201-H204 PolarHBondContact O-N 2.85Å; F201-V205 HydrophobicContact CD1-CG2 4.01Å; F201-V205 HydrophobicContact CE1-CG2 3.69Å; F201-V205 HydrophobicContact CE2-CG2 4.24Å; F201-V205 HydrophobicContact CG-CG2 4.46Å; F201-V205 HydrophobicContact CZ-CG2 3.85Å; F201-V205 PolarHBondContact O-N 2.88Å
202H86.9Confident85.7Confident67 Ų6741 Ų4131%0.3122%0.223SC..Hα-helixtrans-54.1-50.1176.4176.365.1000111.6D148 R198 H204 V205 R206D148-H202 WeakPolarHBondContact OD2-CA 3.44Å; D148-H202 IonicContact OD2-CE1 3.97Å; D148-H202 IonicContact OD2-CG 3.51Å; D148-H202 IonicContact OD2-ND1 2.84Å; D148-H202 PolarHBondContact OD2-ND1 3.37Å; R198-H202 WeakPolarHBondContact O-CB 3.4Å; R198-H202 PolarHBondContact O-N 3.38Å; H202-H204 VanDerWaalsContact C-N 3.26Å; H202-H204 PolarHBondContact O-N 3.25Å; H202-V205 PolarHBondContact O-N 3.44Å; H202-R206 VanDerWaalsContact O-CB 3.22Å; H202-R206 WeakPolarHBondContact O-CB 3.28Å; H202-R206 PolarHBondContact O-N 3.35Å
203R85.6Confident85.9Confident111 Ų11144.4 Ų44.442%0.41923%0.226SC..Hα-helixtrans-60.4-37175-177.2172.161.7-156.3-0.9112S199 H200 F201 R207S199-R203 WeakPolarHBondContact O-CB 3.25Å; S199-R203 PolarHBondContact O-N 3.1Å; H200-R203 PolarHBondContact CD2-NH2 3.47Å; H200-R203 PolarHBondContact NE2-NH2 3.27Å; H200-R203 VanDerWaalsContact NE2-NH2 3.16Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 2.94Å; R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.49Å
204H88.2Confident86.2Confident12 Ų1243.7 Ų43.76%0.05622%0.22CC..Hα-helixtrans-65.5-51.9176.9167.985.3000111.9C173 C191 S193 H200 F201 H202 R206 R207 H208C173-H204 VanDerWaalsContact CB-NE2 3.3Å; C173-H204 WeakPolarHBondContact CB-NE2 3.32Å; C173-H204 PolarHBondContact SG-NE2 3.26Å; C191-H204 PolarHBondContact SG-CE1 3.41Å; C191-H204 PolarHBondContact SG-NE2 3.46Å; S193-H204 WeakPolarHBondContact CB-CE1 3.41Å; S193-H204 WeakPolarHBondContact CB-NE2 3.2Å; S193-H204 PolarHBondContact OG-CE1 3.44Å; S193-H204 VanDerWaalsContact OG-CE1 3.31Å; H200-H204 VanDerWaalsContact O-CB 3.26Å; H200-H204 WeakPolarHBondContact O-CB 3.25Å; H200-H204 PolarHBondContact O-N 2.84Å; F201-H204 CarbonylContact O-C 3.53Å; F201-H204 WeakPolarHBondContact O-CA 3.4Å; F201-H204 VanDerWaalsContact O-CB 3.26Å; F201-H204 WeakPolarHBondContact O-CB 3.43Å; F201-H204 PolarHBondContact O-N 2.85Å; H202-H204 VanDerWaalsContact C-N 3.26Å; H202-H204 PolarHBondContact O-N 3.25Å; H204-R206 VanDerWaalsContact C-N 3.32Å; H204-R206 PolarHBondContact O-N 3.12Å; H204-R207 WeakPolarHBondContact O-CB 3.43Å; H204-R207 PolarHBondContact O-N 2.88Å; H204-R207 VanDerWaalsContact O-N 3.13Å; H204-H208 AromaticContact CE1-NE2 3.75Å; H204-H208 AromaticContact NE2-NE2 3.36Å; H204-H208 PolarHBondContact NE2-NE2 3.27Å
205V87.5Confident86.6Confident0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-61.2-43.7178.9177.90000110.3W127 V144 D148 W175 F201 H202 R207 H208W127-V205 HydrophobicContact CE3-CG1 4.36Å; W127-V205 HydrophobicContact CH2-CG2 4.16Å; W127-V205 HydrophobicContact CZ3-CB 4.49Å; W127-V205 HydrophobicContact CZ3-CG1 3.86Å; W127-V205 HydrophobicContact CZ3-CG2 3.76Å; V144-V205 HydrophobicContact CG1-CG1 3.77Å; D148-V205 WeakPolarHBondContact OD1-CB 3.28Å; D148-V205 WeakPolarHBondContact OD1-CG2 3.44Å; W175-V205 HydrophobicContact CE3-CG1 4.21Å; W175-V205 HydrophobicContact CZ3-CG1 4.31Å; F201-V205 HydrophobicContact CD1-CG2 4.01Å; F201-V205 HydrophobicContact CE1-CG2 3.69Å; F201-V205 HydrophobicContact CE2-CG2 4.24Å; F201-V205 HydrophobicContact CG-CG2 4.46Å; F201-V205 HydrophobicContact CZ-CG2 3.85Å; F201-V205 PolarHBondContact O-N 2.88Å; H202-V205 PolarHBondContact O-N 3.44Å; V205-R207 PolarHBondContact O-N 3.3Å; V205-R207 VanDerWaalsContact O-N 3.16Å; V205-H208 WeakPolarHBondContact O-CB 3.17Å; V205-H208 PolarHBondContact O-N 2.84Å
206R86.9Confident86.9Confident37 Ų3737.7 Ų37.714%0.1419%0.187CC..Hα-helixtrans-55.2-34.9175.2-175.459.4178.9-117.78.7113.3I141 H202 H204 H208 T209I141-R206 VanDerWaalsContact CG1-NH2 3.33Å; I141-R206 VanDerWaalsContact CG2-CZ 3.43Å; H202-R206 VanDerWaalsContact O-CB 3.22Å; H202-R206 WeakPolarHBondContact O-CB 3.28Å; H202-R206 PolarHBondContact O-N 3.35Å; H204-R206 VanDerWaalsContact C-N 3.32Å; H204-R206 PolarHBondContact O-N 3.12Å; R206-H208 VanDerWaalsContact C-N 3.27Å; R206-H208 PolarHBondContact O-N 3.35Å; R206-T209 WeakPolarHBondContact O-CB 3.41Å; R206-T209 PolarHBondContact O-N 3Å; R206-T209 PolarHBondContact O-OG1 2.76Å
207R84.9Confident87.4Confident80 Ų8038 Ų3830%0.30218%0.182SC..Hα-helixtrans-63.8-30177.5-73.2166.7-172.2156.1-0.2113.1R203 H204 V205 T209 G210 E225R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.49Å; H204-R207 WeakPolarHBondContact O-CB 3.43Å; H204-R207 PolarHBondContact O-N 2.88Å; H204-R207 VanDerWaalsContact O-N 3.13Å; V205-R207 PolarHBondContact O-N 3.3Å; V205-R207 VanDerWaalsContact O-N 3.16Å; R207-T209 PolarHBondContact O-N 3.07Å; R207-G210 PolarHBondContact O-N 3.42Å; R207-G210 VanDerWaalsContact O-N 3.16Å; R207-E225 IonicContact CZ-OE1 3.61Å; R207-E225 IonicContact NE-OE1 2.75Å; R207-E225 PolarHBondContact NE-OE1 3.1Å; R207-E225 IonicContact NH2-OE1 2.64Å; R207-E225 PolarHBondContact NH2-OE1 3.48Å
208H84.2Confident87.6Confident0 Ų042 Ų420%019%0.193CC..Hα-helixtrans-64-30.5179-75.4-66.2000112.6C173 W175 C191 H204 V205 R206 G210 S328 P330 Y331C173-H208 PolarHBondContact SG-NE2 2.98Å; C173-H208 VanDerWaalsContact SG-NE2 3.43Å; W175-H208 AromaticContact CD1-CG 3.67Å; W175-H208 AromaticContact CD1-ND1 3.61Å; W175-H208 HydrophobicContact CD2-CB 3.34Å; W175-H208 AromaticContact CD2-CD2 3.94Å; W175-H208 AromaticContact CD2-CG 3.64Å; W175-H208 HydrophobicContact CE3-CB 3.77Å; W175-H208 HydrophobicContact CG-CB 3.7Å; W175-H208 AromaticContact CG-CD2 3.61Å; W175-H208 AromaticContact CG-CG 3.44Å; W175-H208 VanDerWaalsContact CG-CG 3.44Å; W175-H208 AromaticContact CG-ND1 3.76Å; W175-H208 HydrophobicContact CH2-CB 4.25Å; W175-H208 HydrophobicContact CZ2-CB 3.85Å; W175-H208 HydrophobicContact CZ3-CB 4.21Å; W175-H208 AromaticContact NE1-CG 3.98Å; C191-H208 PolarHBondContact SG-NE2 3.32Å; H204-H208 AromaticContact CE1-NE2 3.75Å; H204-H208 AromaticContact NE2-NE2 3.36Å; H204-H208 PolarHBondContact NE2-NE2 3.27Å; V205-H208 WeakPolarHBondContact O-CB 3.17Å; V205-H208 PolarHBondContact O-N 2.84Å; R206-H208 VanDerWaalsContact C-N 3.27Å; R206-H208 PolarHBondContact O-N 3.35Å; H208-G210 PolarHBondContact O-N 3.05Å; H208-S328 PolarHBondContact CE1-OG 2.83Å; H208-P330 WeakPolarHBondContact O-CA 3.44Å; H208-P330 WeakPolarHBondContact O-CB 3.43Å; H208-Y331 PolarHBondContact O-N 3.27Å
209T85.7Confident87.7Confident0 Ų038.4 Ų38.40%018%0.181CC..Hα-helixtrans-62.7-31.9176.173.60000112.3F140 I141 V144 W175 R206 R207 I211 F332F140-T209 HydrophobicContact CD1-CG2 4.47Å; F140-T209 HydrophobicContact CE1-CG2 3.8Å; I141-T209 HydrophobicContact CD1-CG2 3.92Å; V144-T209 HydrophobicContact CB-CG2 4.3Å; V144-T209 HydrophobicContact CG1-CG2 3.89Å; V144-T209 HydrophobicContact CG2-CG2 3.82Å; W175-T209 HydrophobicContact CH2-CG2 4.26Å; R206-T209 WeakPolarHBondContact O-CB 3.41Å; R206-T209 PolarHBondContact O-N 3Å; R206-T209 PolarHBondContact O-OG1 2.76Å; R207-T209 PolarHBondContact O-N 3.07Å; T209-I211 PolarHBondContact O-N 3.06Å; T209-I211 PolarHBondContact OG1-N 3.19Å; T209-F332 WeakPolarHBondContact O-CD2 2.87Å
210G83.8Confident88.1Confident7 Ų739.1 Ų39.17%0.07217%0.174CC..  trans64.7-0.1-171.300000114.8F112 R207 H208F112-G210 WeakPolarHBondContact CZ-O 3.4Å; R207-G210 PolarHBondContact O-N 3.42Å; R207-G210 VanDerWaalsContact O-N 3.16Å; H208-G210 PolarHBondContact O-N 3.05Å
211I88.9Confident88.2Confident5 Ų534.7 Ų34.73%0.02615%0.154CC..  trans-77.4131.8-176-62.9-179.9000109.6F71 F123 A137 F140 I141 T209F71-I211 HydrophobicContact CE1-CG2 3.51Å; F71-I211 HydrophobicContact CZ-CG2 3.47Å; F71-I211 VanDerWaalsContact CZ-CG2 3.47Å; F123-I211 HydrophobicContact CD1-CD1 3.74Å; F123-I211 HydrophobicContact CE1-CD1 3.53Å; F123-I211 HydrophobicContact CE1-CG1 4.14Å; F123-I211 HydrophobicContact CZ-CD1 4.42Å; A137-I211 HydrophobicContact CB-CD1 4.31Å; F140-I211 HydrophobicContact CD1-CD1 3.52Å; F140-I211 HydrophobicContact CE1-CD1 4.07Å; I141-I211 HydrophobicContact CD1-CB 4.04Å; I141-I211 HydrophobicContact CD1-CD1 3.97Å; I141-I211 HydrophobicContact CD1-CG1 4.49Å; I141-I211 HydrophobicContact CD1-CG2 4.28Å; I141-I211 HydrophobicContact CG1-CB 4.34Å; I141-I211 HydrophobicContact CG1-CD1 4.03Å; I141-I211 HydrophobicContact CG1-CG2 4.05Å; T209-I211 PolarHBondContact O-N 3.06Å; T209-I211 PolarHBondContact OG1-N 3.19Å
212P90.7Very high88.2Confident1 Ų134.6 Ų34.61%0.00615%0.154CC..  trans-69.5156.4-177.829.4-34.6000112.9F72 F112 I215 C222F72-P212 HydrophobicContact CE1-CG 4.08Å; F112-P212 HydrophobicContact CZ-CG 4.33Å; P212-I215 HydrophobicContact CB-CG1 4.37Å; P212-I215 HydrophobicContact CG-CD1 4.32Å; P212-C222 HydrophobicContact CB-CB 3.65Å; P212-C222 HydrophobicContact CG-CB 3.92Å
213R91.1Very high88.2Confident103 Ų10331.5 Ų31.539%0.38914%0.139SC..SBendtrans-117.3-32.8172.5-176.2177.6-176.4-163.33.6111.5D159 F223D159-R213 IonicContact OD1-CZ 2.68Å; D159-R213 IonicContact OD1-NH1 3.81Å; D159-R213 PolarHBondContact OD1-NH1 2.91Å; D159-R213 IonicContact OD1-NH2 3.91Å; D159-R213 IonicContact OD2-CZ 2.9Å; D159-R213 IonicContact OD2-NH1 3.76Å; D159-R213 PolarHBondContact OD2-NH1 2.97Å; D159-R213 IonicContact OD2-NH2 3.97Å; D159-R213 PolarHBondContact OD2-NH2 2.66Å; R213-F223 PolarHBondContact N-O 3.48Å
214Y92.2Very high88.2Confident10 Ų1027.8 Ų27.84%0.03913%0.129CC..EExtended strand (participates in β ladder)trans-117.8128.5179.9-45.9-82.1000109.5T79 L82 D159 F223 V226 F229T79-Y214 VanDerWaalsContact OG1-CA 3.31Å; T79-Y214 WeakPolarHBondContact OG1-CA 3.26Å; L82-Y214 HydrophobicContact CD2-CD1 3.99Å; L82-Y214 HydrophobicContact CD2-CE1 3.67Å; D159-Y214 PolarHBondContact OD2-OH 3.04Å; Y214-F223 PolarHBondContact N-O 3.05Å; Y214-F223 PolarHBondContact O-N 2.86Å; Y214-V226 HydrophobicContact CE2-CB 3.9Å; Y214-V226 VanDerWaalsContact CE2-N 3.26Å; Y214-F229 HydrophobicContact CD1-CD1 4.34Å; Y214-F229 HydrophobicContact CD2-CB 4.35Å; Y214-F229 HydrophobicContact CG-CB 4.29Å; Y214-F229 HydrophobicContact CG-CD1 4.2Å; Y214-F229 HydrophobicContact CG-CG 4.18Å
215I93.1Very high87.9Confident0 Ų029 Ų290%014%0.135CC..EExtended strand (participates in β ladder)trans-128.4125.9178-57.8179.8000108F72 C75 I76 T79 T109 P212 S217 V221F72-I215 HydrophobicContact CB-CD1 4.02Å; F72-I215 HydrophobicContact CD1-CD1 3.4Å; F72-I215 HydrophobicContact CE1-CD1 4.15Å; F72-I215 HydrophobicContact CG-CD1 3.92Å; C75-I215 HydrophobicContact CB-CB 4.4Å; C75-I215 HydrophobicContact CB-CD1 3.54Å; C75-I215 HydrophobicContact CB-CG1 3.82Å; I76-I215 HydrophobicContact CD1-CG2 4.15Å; I76-I215 HydrophobicContact CG1-CB 3.78Å; I76-I215 HydrophobicContact CG1-CG2 3.6Å; T79-I215 WeakPolarHBondContact CG2-O 3.42Å; T79-I215 PolarHBondContact OG1-N 2.79Å; T79-I215 VanDerWaalsContact OG1-N 3.09Å; T109-I215 HydrophobicContact CG2-CD1 3.98Å; T109-I215 HydrophobicContact CG2-CG2 3.84Å; P212-I215 HydrophobicContact CB-CG1 4.37Å; P212-I215 HydrophobicContact CG-CD1 4.32Å; I215-S217 PolarHBondContact O-N 3.28Å; I215-V221 WeakPolarHBondContact CA-O 3.45Å
216C90.1Very high87.8Confident3 Ų330.8 Ų30.82%0.0215%0.146CC..  trans-71.1119.8176178.50000110.1K218 C219 F220 V221 H232C216-K218 PolarHBondContact O-N 3.5Å; C216-K218 VanDerWaalsContact O-N 3.09Å; C216-K218 PolarHBondContact SG-N 3.25Å; C216-C219 WeakPolarHBondContact CB-SG 3.43Å; C216-C219 PolarHBondContact O-N 3.44Å; C216-F220 WeakPolarHBondContact O-CA 3.35Å; C216-F220 PolarHBondContact O-N 3.35Å; C216-V221 PolarHBondContact N-O 3.29Å; C216-V221 VanDerWaalsContact N-O 3.12Å; C216-H232 PolarHBondContact SG-NE2 2.85Å
217S90.7Very high87.6Confident62 Ų6233.1 Ų33.143%0.43416%0.164SC..THydrogen-bonded Turntrans-60.6-18.8178.157.20000114.7I215 F220I215-S217 PolarHBondContact O-N 3.28Å; S217-F220 WeakPolarHBondContact O-CZ 3.24Å
218K87.3Confident87.4Confident129 Ų12931.1 Ų31.156%0.56116%0.159SC*.THydrogen-bonded Turntrans-96-39.6-177.8-176.2168.6175.7-179.10114.2C94 C216C94-K218 HydrophobicContact CB-CB 4.19Å; C94-K218 HydrophobicContact CB-CD 4.14Å; C94-K218 WeakPolarHBondContact O-CD 3.42Å; C94-K218 WeakPolarHBondContact O-CE 3.38Å; C94-K218 PolarHBondContact O-NZ 3Å; C216-K218 PolarHBondContact O-N 3.5Å; C216-K218 VanDerWaalsContact O-N 3.09Å; C216-K218 PolarHBondContact SG-N 3.25Å
219C86.6Confident87.5Confident6 Ų631.2 Ų31.24%0.04116%0.16CC..THydrogen-bonded Turntrans-113.9-5.4-176.671.80000114.1I97 C216 V221 H232I97-C219 HydrophobicContact CB-CB 4.01Å; C216-C219 WeakPolarHBondContact CB-SG 3.43Å; C216-C219 PolarHBondContact O-N 3.44Å; C219-V221 HydrophobicContact CB-CG2 4.39Å; C219-V221 PolarHBondContact O-N 3.18Å; C219-V221 VanDerWaalsContact SG-CG2 3.55Å; C219-H232 PolarHBondContact SG-CE1 2.79Å
220F91.1Very high87.4Confident91 Ų9134.4 Ų34.440%0.39917%0.174SC..  trans55.223.9179.8-56.5-80.5000114.7I76 S108 T109 C216 S217I76-F220 HydrophobicContact CD1-CD1 3.94Å; I76-F220 HydrophobicContact CD1-CE1 3.85Å; S108-F220 CarbonylContact C-O 3.57Å; S108-F220 WeakPolarHBondContact CA-O 3.12Å; T109-F220 HydrophobicContact CG2-CB 4.22Å; T109-F220 PolarHBondContact N-O 3.36Å; C216-F220 WeakPolarHBondContact O-CA 3.35Å; C216-F220 PolarHBondContact O-N 3.35Å; S217-F220 WeakPolarHBondContact O-CZ 3.24Å
221V87.9Confident87Confident0 Ų037.5 Ų37.50%019%0.186CC..BIsolated β-bridgetrans-76.4135.6169.8175.90000109.5I97 Q100 Y104 I215 C216 C219 F223I97-V221 HydrophobicContact CD1-CG2 4.43Å; I97-V221 HydrophobicContact CG1-CG2 4.22Å; Q100-V221 HydrophobicContact CG-CG2 4.26Å; Y104-V221 HydrophobicContact CG-CG1 4.34Å; I215-V221 WeakPolarHBondContact CA-O 3.45Å; C216-V221 PolarHBondContact N-O 3.29Å; C216-V221 VanDerWaalsContact N-O 3.12Å; C219-V221 HydrophobicContact CB-CG2 4.39Å; C219-V221 PolarHBondContact O-N 3.18Å; C219-V221 VanDerWaalsContact SG-CG2 3.55Å; V221-F223 HydrophobicContact CB-CE2 3.93Å; V221-F223 HydrophobicContact CB-CZ 4.02Å; V221-F223 HydrophobicContact CG1-CD2 4.35Å; V221-F223 HydrophobicContact CG1-CE1 3.95Å; V221-F223 HydrophobicContact CG1-CE2 3.55Å; V221-F223 HydrophobicContact CG1-CZ 3.29Å; V221-F223 WeakPolarHBondContact O-CE2 3.25Å
222C89.1Confident86.5Confident3 Ų337.3 Ų37.32%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-100.4133.6-174.2-62.70000111.3R107 T109 F112 P212R107-C222 WeakPolarHBondContact O-CB 3.48Å; R107-C222 PolarHBondContact O-N 2.95Å; T109-C222 PolarHBondContact N-SG 3.27Å; F112-C222 HydrophobicContact CE2-CB 4.04Å; P212-C222 HydrophobicContact CB-CB 3.65Å; P212-C222 HydrophobicContact CG-CB 3.92Å
223F87.7Confident85.7Confident1 Ų137.6 Ų37.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-130.2133.4178.4-53.8-90000110.5Y104 R213 Y214 V221 N228 F229 H232Y104-F223 HydrophobicContact CD1-CE1 4.17Å; Y104-F223 HydrophobicContact CD2-CE1 4.12Å; Y104-F223 HydrophobicContact CD2-CZ 4.43Å; Y104-F223 HydrophobicContact CE1-CE1 4.08Å; Y104-F223 HydrophobicContact CE2-CE1 4.05Å; Y104-F223 HydrophobicContact CG-CE1 4.21Å; R213-F223 PolarHBondContact N-O 3.48Å; Y214-F223 PolarHBondContact N-O 3.05Å; Y214-F223 PolarHBondContact O-N 2.86Å; V221-F223 HydrophobicContact CB-CE2 3.93Å; V221-F223 HydrophobicContact CB-CZ 4.02Å; V221-F223 HydrophobicContact CG1-CD2 4.35Å; V221-F223 HydrophobicContact CG1-CE1 3.95Å; V221-F223 HydrophobicContact CG1-CE2 3.55Å; V221-F223 HydrophobicContact CG1-CZ 3.29Å; V221-F223 WeakPolarHBondContact O-CE2 3.25Å; F223-N228 HydrophobicContact CD1-CB 3.9Å; F223-F229 HydrophobicContact CB-CB 3.97Å; F223-F229 HydrophobicContact CD2-CB 4.18Å; F223-F229 AromaticContact CD2-CD2 3.62Å; F223-F229 HydrophobicContact CD2-CD2 3.62Å; F223-F229 HydrophobicContact CD2-CG 4.38Å; F223-F229 AromaticContact CE2-CD2 3.95Å; F223-F229 HydrophobicContact CE2-CD2 3.95Å; F223-F229 HydrophobicContact CG-CB 3.98Å; F223-F229 HydrophobicContact CG-CD2 4.29Å; F223-H232 HydrophobicContact CE1-CB 3.98Å; F223-H232 HydrophobicContact CE2-CB 4.02Å; F223-H232 AromaticContact CE2-CG 3.91Å; F223-H232 HydrophobicContact CZ-CB 3.44Å; F223-H232 VanDerWaalsContact CZ-CB 3.44Å; F223-H232 AromaticContact CZ-CG 3.58Å; F223-H232 AromaticContact CZ-ND1 3.71Å
224T85.2Confident84.4Confident34 Ų3437.4 Ų37.421%0.20920%0.197CC..SBendtrans-81.9-19.7174.654.50000112.4
225E81.2Confident82.6Confident36 Ų3641.7 Ų41.717%0.16821%0.213CC..SBendtrans-137.2145.3-172.1-57.5-172.2126.400112.4R207 V227 N228 F229R207-E225 IonicContact CZ-OE1 3.61Å; R207-E225 IonicContact NE-OE1 2.75Å; R207-E225 PolarHBondContact NE-OE1 3.1Å; R207-E225 IonicContact NH2-OE1 2.64Å; R207-E225 PolarHBondContact NH2-OE1 3.48Å; E225-V227 VanDerWaalsContact C-N 3.31Å; E225-V227 PolarHBondContact O-N 3.04Å; E225-N228 PolarHBondContact O-N 3.26Å; E225-N228 PolarHBondContact OE2-ND2 2.77Å; E225-F229 PolarHBondContact O-N 3.43Å; E225-F229 VanDerWaalsContact O-N 3.15Å
226V85.6Confident80.5Confident38 Ų3841.7 Ų41.723%0.2321%0.213CC..Hα-helixtrans-64.3-33.3-178.174.30000112.5Y214 F229 K230Y214-V226 HydrophobicContact CE2-CB 3.9Å; Y214-V226 VanDerWaalsContact CE2-N 3.26Å; V226-F229 CarbonylContact O-C 3.46Å; V226-F229 PolarHBondContact O-N 3.23Å; V226-K230 HydrophobicContact CG2-CG 4.46Å; V226-K230 WeakPolarHBondContact O-CG 3.18Å; V226-K230 PolarHBondContact O-N 3.09Å
227V82.1Confident78.2Confident86 Ų8644.2 Ų44.252%0.52123%0.226SC..Hα-helixtrans-62.6-47.7179.8-1800000110.7E225 F229 K230 E231E225-V227 VanDerWaalsContact C-N 3.31Å; E225-V227 PolarHBondContact O-N 3.04Å; V227-F229 VanDerWaalsContact C-N 3.29Å; V227-F229 PolarHBondContact O-N 3.15Å; V227-K230 PolarHBondContact O-N 2.62Å; V227-E231 WeakPolarHBondContact O-CG 3.37Å; V227-E231 PolarHBondContact O-N 3.38Å
228N81.6Confident75.8Confident39 Ų3944.7 Ų44.721%0.20923%0.226CC..Hα-helixtrans-66-35177.2-62.4-42.6000111.6F223 E225 E231 H232F223-N228 HydrophobicContact CD1-CB 3.9Å; E225-N228 PolarHBondContact O-N 3.26Å; E225-N228 PolarHBondContact OE2-ND2 2.77Å; N228-E231 PolarHBondContact O-N 3.27Å; N228-H232 PolarHBondContact O-N 2.87Å; N228-H232 VanDerWaalsContact O-N 3.14Å
229F86.6Confident73.5Confident2 Ų246.9 Ų46.91%0.00924%0.236CC..Hα-helixtrans-70.1-34.5174.5177.1-114.7000113.2T79 L83 Y214 F223 E225 V226 V227 H232 F233T79-F229 HydrophobicContact CG2-CE1 3.79Å; T79-F229 HydrophobicContact CG2-CE2 3.67Å; T79-F229 HydrophobicContact CG2-CZ 3.11Å; L83-F229 HydrophobicContact CD1-CZ 4.08Å; L83-F229 HydrophobicContact CD2-CE1 3.71Å; L83-F229 HydrophobicContact CD2-CZ 3.7Å; L83-F229 HydrophobicContact CG-CE1 4.29Å; L83-F229 HydrophobicContact CG-CZ 4.04Å; Y214-F229 HydrophobicContact CD1-CD1 4.34Å; Y214-F229 HydrophobicContact CD2-CB 4.35Å; Y214-F229 HydrophobicContact CG-CB 4.29Å; Y214-F229 HydrophobicContact CG-CD1 4.2Å; Y214-F229 HydrophobicContact CG-CG 4.18Å; F223-F229 HydrophobicContact CB-CB 3.97Å; F223-F229 HydrophobicContact CD2-CB 4.18Å; F223-F229 AromaticContact CD2-CD2 3.62Å; F223-F229 HydrophobicContact CD2-CD2 3.62Å; F223-F229 HydrophobicContact CD2-CG 4.38Å; F223-F229 AromaticContact CE2-CD2 3.95Å; F223-F229 HydrophobicContact CE2-CD2 3.95Å; F223-F229 HydrophobicContact CG-CB 3.98Å; F223-F229 HydrophobicContact CG-CD2 4.29Å; E225-F229 PolarHBondContact O-N 3.43Å; E225-F229 VanDerWaalsContact O-N 3.15Å; V226-F229 CarbonylContact O-C 3.46Å; V226-F229 PolarHBondContact O-N 3.23Å; V227-F229 VanDerWaalsContact C-N 3.29Å; V227-F229 PolarHBondContact O-N 3.15Å; F229-H232 VanDerWaalsContact O-CB 3.25Å; F229-H232 WeakPolarHBondContact O-CB 3.31Å; F229-H232 PolarHBondContact O-N 3.18Å; F229-F233 HydrophobicContact CD1-CE2 4.17Å; F229-F233 AromaticContact CD2-CE2 3.94Å; F229-F233 HydrophobicContact CD2-CE2 3.94Å; F229-F233 HydrophobicContact CD2-CZ 4.41Å; F229-F233 AromaticContact CE1-CE2 3.68Å; F229-F233 HydrophobicContact CE1-CE2 3.68Å; F229-F233 HydrophobicContact CE1-CZ 4.25Å; F229-F233 AromaticContact CE2-CE2 3.43Å; F229-F233 HydrophobicContact CE2-CE2 3.43Å; F229-F233 VanDerWaalsContact CE2-CE2 3.43Å; F229-F233 AromaticContact CE2-CZ 3.53Å; F229-F233 HydrophobicContact CE2-CZ 3.53Å; F229-F233 HydrophobicContact CG-CE2 4.3Å; F229-F233 AromaticContact CZ-CE2 3.29Å; F229-F233 HydrophobicContact CZ-CE2 3.29Å; F229-F233 AromaticContact CZ-CZ 3.44Å; F229-F233 HydrophobicContact CZ-CZ 3.44Å; F229-F233 VanDerWaalsContact CZ-CZ 3.44Å; F229-F233 WeakPolarHBondContact O-CD2 3.43Å; F229-F233 WeakPolarHBondContact O-CE2 3.43Å
230K82.8Confident71Confident66 Ų6653.4 Ų53.429%0.28727%0.27SS..Hα-helixtrans-66.1-43.7171.4-72.5177.6-172.2-177.10110.6W90 V226 V227 H232 F233 T234W90-K230 HydrophobicContact CH2-CD 4.38Å; W90-K230 HydrophobicContact CZ2-CD 4.35Å; V226-K230 HydrophobicContact CG2-CG 4.46Å; V226-K230 WeakPolarHBondContact O-CG 3.18Å; V226-K230 PolarHBondContact O-N 3.09Å; V227-K230 PolarHBondContact O-N 2.62Å; K230-H232 PolarHBondContact O-N 3.35Å; K230-F233 PolarHBondContact O-N 3.49Å; K230-T234 PolarHBondContact O-OG1 3.1Å
231E76.4Confident68.2Low73 Ų7360 Ų6034%0.34129%0.294SS..Hα-helixtrans-58.9-33.2177.3-75.7-169.5-174.500112.8K101 V227 N228 F233 T234 W235K101-E231 IonicContact NZ-OE2 3.16Å; K101-E231 PolarHBondContact NZ-OE2 3.18Å; V227-E231 WeakPolarHBondContact O-CG 3.37Å; V227-E231 PolarHBondContact O-N 3.38Å; N228-E231 PolarHBondContact O-N 3.27Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 PolarHBondContact O-N 2.89Å; E231-T234 WeakPolarHBondContact O-CB 3.47Å; E231-T234 PolarHBondContact O-N 3.47Å; E231-T234 VanDerWaalsContact O-N 3.13Å; E231-W235 PolarHBondContact O-NE1 3.27Å
232H76.9Confident65.6Low0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-51.1-43.7176.7165.364.5000112.7C94 Q100 C216 C219 F223 N228 F229 K230C94-H232 PolarHBondContact SG-CE1 2.9Å; C94-H232 PolarHBondContact SG-NE2 2.73Å; C94-H232 VanDerWaalsContact SG-NE2 3.37Å; Q100-H232 PolarHBondContact NE2-CE1 3.47Å; Q100-H232 PolarHBondContact NE2-ND1 3.32Å; Q100-H232 PolarHBondContact OE1-CE1 3.24Å; Q100-H232 PolarHBondContact OE1-ND1 2.98Å; C216-H232 PolarHBondContact SG-NE2 2.85Å; C219-H232 PolarHBondContact SG-CE1 2.79Å; F223-H232 HydrophobicContact CE1-CB 3.98Å; F223-H232 HydrophobicContact CE2-CB 4.02Å; F223-H232 AromaticContact CE2-CG 3.91Å; F223-H232 HydrophobicContact CZ-CB 3.44Å; F223-H232 VanDerWaalsContact CZ-CB 3.44Å; F223-H232 AromaticContact CZ-CG 3.58Å; F223-H232 AromaticContact CZ-ND1 3.71Å; N228-H232 PolarHBondContact O-N 2.87Å; N228-H232 VanDerWaalsContact O-N 3.14Å; F229-H232 VanDerWaalsContact O-CB 3.25Å; F229-H232 WeakPolarHBondContact O-CB 3.31Å; F229-H232 PolarHBondContact O-N 3.18Å; K230-H232 PolarHBondContact O-N 3.35Å
233F73.8Confident62.7Low7 Ų775.3 Ų75.33%0.03137%0.37CS..Hα-helixtrans-80.8-23.9-178.9-58-76.7000113.2L83 F92 V93 C94 F229 K230 E231 W235 S236L83-F233 HydrophobicContact CD1-CZ 3.97Å; L83-F233 HydrophobicContact CD2-CE2 3.81Å; L83-F233 HydrophobicContact CD2-CZ 3.75Å; F92-F233 HydrophobicContact CB-CB 4.31Å; F92-F233 HydrophobicContact CB-CD1 3.65Å; F92-F233 HydrophobicContact CB-CD2 4.1Å; F92-F233 HydrophobicContact CB-CE1 3.86Å; F92-F233 HydrophobicContact CB-CE2 4.28Å; F92-F233 HydrophobicContact CB-CG 3.76Å; F92-F233 HydrophobicContact CB-CZ 4.17Å; F92-F233 HydrophobicContact CD1-CB 3.53Å; F92-F233 HydrophobicContact CD1-CD1 4.15Å; F92-F233 AromaticContact CD1-CD2 3.14Å; F92-F233 HydrophobicContact CD1-CD2 3.14Å; F92-F233 AromaticContact CD1-CE2 3.79Å; F92-F233 HydrophobicContact CD1-CE2 3.79Å; F92-F233 AromaticContact CD1-CG 3.34Å; F92-F233 HydrophobicContact CD1-CG 3.34Å; F92-F233 HydrophobicContact CE1-CB 4.29Å; F92-F233 AromaticContact CE1-CD2 3.47Å; F92-F233 HydrophobicContact CE1-CD2 3.47Å; F92-F233 VanDerWaalsContact CE1-CD2 3.47Å; F92-F233 HydrophobicContact CE1-CE2 4.03Å; F92-F233 HydrophobicContact CE1-CG 4.1Å; F92-F233 HydrophobicContact CG-CB 4.38Å; F92-F233 HydrophobicContact CG-CD1 4.28Å; F92-F233 AromaticContact CG-CD2 3.82Å; F92-F233 HydrophobicContact CG-CD2 3.82Å; F92-F233 HydrophobicContact CG-CE2 4.07Å; F92-F233 AromaticContact CG-CG 3.91Å; F92-F233 HydrophobicContact CG-CG 3.91Å; F92-F233 HydrophobicContact CG-CZ 4.41Å; F92-F233 HydrophobicContact CZ-CD2 4.34Å; V93-F233 WeakPolarHBondContact O-CD1 3.15Å; C94-F233 HydrophobicContact CB-CD1 4.32Å; C94-F233 HydrophobicContact CB-CE1 4.16Å; F229-F233 HydrophobicContact CD1-CE2 4.17Å; F229-F233 AromaticContact CD2-CE2 3.94Å; F229-F233 HydrophobicContact CD2-CE2 3.94Å; F229-F233 HydrophobicContact CD2-CZ 4.41Å; F229-F233 AromaticContact CE1-CE2 3.68Å; F229-F233 HydrophobicContact CE1-CE2 3.68Å; F229-F233 HydrophobicContact CE1-CZ 4.25Å; F229-F233 AromaticContact CE2-CE2 3.43Å; F229-F233 HydrophobicContact CE2-CE2 3.43Å; F229-F233 VanDerWaalsContact CE2-CE2 3.43Å; F229-F233 AromaticContact CE2-CZ 3.53Å; F229-F233 HydrophobicContact CE2-CZ 3.53Å; F229-F233 HydrophobicContact CG-CE2 4.3Å; F229-F233 AromaticContact CZ-CE2 3.29Å; F229-F233 HydrophobicContact CZ-CE2 3.29Å; F229-F233 AromaticContact CZ-CZ 3.44Å; F229-F233 HydrophobicContact CZ-CZ 3.44Å; F229-F233 VanDerWaalsContact CZ-CZ 3.44Å; F229-F233 WeakPolarHBondContact O-CD2 3.43Å; F229-F233 WeakPolarHBondContact O-CE2 3.43Å; K230-F233 PolarHBondContact O-N 3.49Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 PolarHBondContact O-N 2.89Å; F233-W235 PolarHBondContact O-N 2.92Å; F233-W235 VanDerWaalsContact O-N 3.13Å; F233-S236 PolarHBondContact O-N 3.45Å
234T64.6Low59.8Low99 Ų9982.1 Ų82.161%0.60741%0.411SS*.Hα-helixtrans-58.8-27.6175.8-44.90000111.8K230 E231 S236K230-T234 PolarHBondContact O-OG1 3.1Å; E231-T234 WeakPolarHBondContact O-CB 3.47Å; E231-T234 PolarHBondContact O-N 3.47Å; E231-T234 VanDerWaalsContact O-N 3.13Å; T234-S236 VanDerWaalsContact C-N 3.33Å
235W55.1Low57.1Low100 Ų10085.5 Ų85.538%0.37943%0.432SS..THydrogen-bonded Turntrans-78.5-13.2176.5-60.699.4000114.5E231 F233 R366E231-W235 PolarHBondContact O-NE1 3.27Å; F233-W235 PolarHBondContact O-N 2.92Å; F233-W235 VanDerWaalsContact O-N 3.13Å; W235-R366 VanDerWaalsContact CZ2-NH2 3.3Å; W235-R366 HydrophobicContact CZ3-CG 4.2Å
236S48.4Very low54.5Low1 Ų192.4 Ų92.41%0.00746%0.461CS..THydrogen-bonded Turntrans-113.310.8-166.2-66.80000113.6V93 C95 F233 T234 V238V93-S236 WeakPolarHBondContact O-CB 3.3Å; C95-S236 PolarHBondContact N-OG 3Å; C95-S236 VanDerWaalsContact SG-CA 3.5Å; C95-S236 VanDerWaalsContact SG-CB 3.58Å; C95-S236 PolarHBondContact SG-O 3.45Å; F233-S236 PolarHBondContact O-N 3.45Å; T234-S236 VanDerWaalsContact C-N 3.33Å; S236-V238 PolarHBondContact O-N 3.39Å
237L42.6Very low51.7Low55 Ų5599.3 Ų99.329%0.28849%0.489SS..  trans-84.992.1178.2-69.4169.6000111.2N91N91-L237 WeakPolarHBondContact O-CD2 3.39Å
238V38.7Very low49.1Very low73 Ų73102.7 Ų102.744%0.44250%0.504SS..  trans-79114.1143.2179.20000105.6S236 D240 Y369S236-V238 PolarHBondContact O-N 3.39Å; V238-D240 PolarHBondContact O-N 2.87Å; V238-Y369 WeakPolarHBondContact CG2-OH 3.47Å
239K40.6Very low46.6Very low175 Ų175103.9 Ų103.976%0.76153%0.526SS*.  trans-79.7105.9168.6-77.7-174.5175.4-175.90108
240D33.5Very low44Very low142 Ų142109.6 Ų109.676%0.75956%0.561SS**  trans-74.1124.4161.1-78.2-33.2000109.4V238 Q242V238-D240 PolarHBondContact O-N 2.87Å; D240-Q242 PolarHBondContact O-N 3.01Å
241Y32.5Very low41.6Very low230 Ų230113.7 Ų113.790%0.90259%0.586SS**THydrogen-bonded Turntrans-79.331.3-171.1-146.1-95.5000113.4
242Q32Very low39.7Very low173 Ų173117.9 Ų117.981%0.80861%0.611SS**THydrogen-bonded Turntrans-125.72.1-166.8-72.8-171.9-10.500117.4D240D240-Q242 PolarHBondContact O-N 3.01Å
243N28Very low37.6Very low151 Ų151124.7 Ų124.781%0.80765%0.647SS**  trans-134.358.3-179.4-73.5-45.3000114.3V245N243-V245 PolarHBondContact O-N 2.85Å
244V28.5Very low35.7Very low144 Ų144128.6 Ų128.687%0.87368%0.675SS**  trans-82.393.6164-179.50000108.4
245V27.8Very low34Very low106 Ų106129.9 Ų129.964%0.64268%0.683SS**  trans-75.3119169.3175.90000108.7N243 F247N243-V245 PolarHBondContact O-N 2.85Å; V245-F247 HydrophobicContact CG1-CD2 4.23Å; V245-F247 HydrophobicContact CG1-CE2 3.95Å
246K26.1Very low32.8Very low181 Ų181132.7 Ų132.779%0.78771%0.705SS**  trans-65.4132.6168.8-65.7173.4175.7179.10109.3
247F27.7Very low31.7Very low182 Ų182137.9 Ų137.980%0.79874%0.74SS**  trans-113.6109.3160.6-90.9-84.5000108.8V245V245-F247 HydrophobicContact CG1-CD2 4.23Å; V245-F247 HydrophobicContact CG1-CE2 3.95Å
248N26.1Very low30.9Very low157 Ų157141.6 Ų141.684%0.8477%0.768SS**  trans-82.3134.8161.1-69.4-7.9000108.2
249G29.2Very low30.2Very low65 Ų65143.7 Ų143.767%0.6778%0.781SS**  trans-146.2134.6145.400000104.6
250T32.6Very low29.6Very low121 Ų121140.5 Ų140.574%0.74278%0.78SS**  cis-168.4147.81525.60000104.7
251D33.4Very low29.2Very low153 Ų153140.9 Ų140.982%0.81878%0.781SS**  trans81.9131.9153.2-45.2-27.1000120.7
252D35.3Very low29.1Very low161 Ų161138.9 Ų138.986%0.86178%0.777SS**  trans79.494.2163.1-91.8-3.3000122.3
253D33.8Very low28.8Very low142 Ų142138 Ų13876%0.75978%0.777SS**  71122.3123.5-141.910.9000121.8
254S32.8Very low28.9Very low89 Ų89138.6 Ų138.662%0.62278%0.779SS**  trans71.5103.7154.5760000120.7
255T30.2Very low28.8Very low126 Ų126138 Ų13877%0.77377%0.771SS**  41.997128.7530000119.6
256D29Very low28.8Very low159 Ų159140.9 Ų140.985%0.8578%0.777SS**  156.1127.6112.6-98.1-30.5000112
257C24.7Very low28.8Very low110 Ų110138.1 Ų138.174%0.74378%0.781SS**  trans46.8104.6156.3-138.20000120.1V259C257-V259 PolarHBondContact O-N 3.37Å
258P27.4Very low28.8Very low133 Ų133133.9 Ų133.986%0.86477%0.774SS**  trans-88.782.4-178.934.8-30.9000112.2
259V24Very low28.9Very low118 Ų118131 Ų13172%0.71576%0.764SS**  trans-122.2116.9156.2176.30000107.4C257C257-V259 PolarHBondContact O-N 3.37Å
260S26.8Very low28.8Very low107 Ų107135.7 Ų135.775%0.74877%0.766SS**  trans163105.2148.3-75.60000108.2
261L26Very low28.6Very low150 Ų150135.3 Ų135.379%0.78577%0.765SS**  42.1113.184.6-72.1168.3000113.6
262K29.4Very low28.4Very low188 Ų188137.6 Ų137.682%0.81777%0.768SS**  161.8108.3128.2-86.9159-177.2-176.90109.2
263L25.4Very low28.1Very low154 Ų154138.3 Ų138.381%0.80677%0.766SS**  69.811186.2-80.6159.1000112.1
264I30.2Very low28Very low165 Ų165137.6 Ų137.685%0.84676%0.761SS**  trans-173.595.8138.2-78.8137.5000104.3
265D27.4Very low27.7Very low130 Ų130142.6 Ų142.670%0.69578%0.775SS**  80.3129.992.8-14642.5000112.3
266E27Very low27.6Very low167 Ų167139.6 Ų139.678%0.7877%0.77SS**  cis-165148.4-19.4-115.5177.5-167.100104.7
267S27Very low27.9Very low123 Ų123136.2 Ų136.286%0.8676%0.755SS**SBendtrans82.678.6176.478.10000119.5
268S27.4Very low28.8Very low94 Ų94136.1 Ų136.166%0.65775%0.751SS**  trans161.8118.6135.3-179.80000110.7F270S268-F270 VanDerWaalsContact C-N 3.31Å; S268-F270 PolarHBondContact O-N 3.05Å; S268-F270 VanDerWaalsContact O-N 3.12Å
269P28.5Very low29.5Very low97 Ų97134.6 Ų134.663%0.6374%0.735SS**  trans-88.369178.136-31000109.8
270F26.2Very low31Very low163 Ų163131.6 Ų131.672%0.71571%0.712SS**  trans-139.1126.5163.8-85.6-78.7000110.3S268 K272S268-F270 VanDerWaalsContact C-N 3.31Å; S268-F270 PolarHBondContact O-N 3.05Å; S268-F270 VanDerWaalsContact O-N 3.12Å; F270-K272 PolarHBondContact O-N 3.29Å
271P28.9Very low32.5Very low112 Ų112133.1 Ų133.173%0.72771%0.707SS**  trans-62.9119.3166.324.6-28.4000108.3H273P271-H273 PolarHBondContact O-N 2.91Å
272K28.8Very low34.4Very low201 Ų201126.1 Ų126.187%0.87467%0.671SS**SBendtrans-68.666.7174.6-71.7-174.6176.3-179.50111.6F270F270-K272 PolarHBondContact O-N 3.29Å
273H30.3Very low36.3Very low177 Ų177122.4 Ų122.482%0.81967%0.666SS**  trans-139.824.2164.1-139.2-53.5000113.6P271P271-H273 PolarHBondContact O-N 2.91Å
274L30.5Very low38.5Very low126 Ų126117.7 Ų117.766%0.6664%0.644SS**  trans-120.249.5165.8-80166.8000110.2G276 T277L274-G276 PolarHBondContact O-N 3.48Å; L274-G276 VanDerWaalsContact O-N 3.16Å; L274-T277 HydrophobicContact CB-CG2 3.77Å; L274-T277 HydrophobicContact CD1-CG2 4.11Å; L274-T277 HydrophobicContact CD2-CG2 3.47Å; L274-T277 VanDerWaalsContact CD2-CG2 3.47Å; L274-T277 HydrophobicContact CG-CG2 3.97Å
275E26.2Very low40.6Very low194 Ų194110.9 Ų110.991%0.90761%0.611SS**THydrogen-bonded Turntrans-68.9103.8160.8-125.4147.5-157.400106.7
276G28.9Very low42.8Very low64 Ų64112.5 Ų112.566%0.6662%0.617SS**THydrogen-bonded Turntrans122.715.8178.200000117.8L274 T278L274-G276 PolarHBondContact O-N 3.48Å; L274-G276 VanDerWaalsContact O-N 3.16Å; G276-T278 PolarHBondContact O-N 3.34Å
277T35.7Very low44.2Very low88 Ų88110.2 Ų110.254%0.5461%0.605SS.*  trans-7189.5176.247.20000112.5L274 L279L274-T277 HydrophobicContact CB-CG2 3.77Å; L274-T277 HydrophobicContact CD1-CG2 4.11Å; L274-T277 HydrophobicContact CD2-CG2 3.47Å; L274-T277 VanDerWaalsContact CD2-CG2 3.47Å; L274-T277 HydrophobicContact CG-CG2 3.97Å; T277-L279 PolarHBondContact O-N 2.79Å
278T41.9Very low45.6Very low107 Ų107107 Ų10766%0.65659%0.586SS**  trans-74.264.6170500000110.7G276 F280G276-T278 PolarHBondContact O-N 3.34Å; T278-F280 VanDerWaalsContact O-CD2 3.31Å; T278-F280 WeakPolarHBondContact O-CD2 3.41Å; T278-F280 WeakPolarHBondContact O-CE2 3.13Å; T278-F280 PolarHBondContact O-N 2.9Å
279L43.9Very low47.1Very low101 Ų101104.4 Ų104.453%0.52956%0.563SS.*  trans-64122.4161.1-70.2179.9000107.8T277 Q281 I290T277-L279 PolarHBondContact O-N 2.79Å; L279-Q281 PolarHBondContact O-N 3.36Å; L279-I290 HydrophobicContact CD2-CB 4.34Å; L279-I290 HydrophobicContact CD2-CG1 3.82Å
280F55.2Low47.9Very low56 Ų56106.8 Ų106.825%0.24657%0.569CS.*EExtended strand (participates in β ladder)trans-81.8107.3177.3-65.3-93.1000108.9T278 A288 F289 K292 W295T278-F280 VanDerWaalsContact O-CD2 3.31Å; T278-F280 WeakPolarHBondContact O-CD2 3.41Å; T278-F280 WeakPolarHBondContact O-CE2 3.13Å; T278-F280 PolarHBondContact O-N 2.9Å; F280-A288 CarbonylContact O-C 3.53Å; F280-A288 WeakPolarHBondContact O-CA 3.33Å; F280-F289 HydrophobicContact CB-CB 4.36Å; F280-F289 PolarHBondContact N-O 2.87Å; F280-F289 WeakPolarHBondContact O-CD2 3.36Å; F280-F289 PolarHBondContact O-N 3.05Å; F280-K292 HydrophobicContact CD1-CG 4.41Å; F280-K292 HydrophobicContact CD2-CB 4.35Å; F280-K292 HydrophobicContact CE1-CB 3.95Å; F280-K292 HydrophobicContact CE1-CD 4.3Å; F280-K292 HydrophobicContact CE1-CG 3.83Å; F280-K292 HydrophobicContact CE2-CB 3.76Å; F280-K292 HydrophobicContact CZ-CB 3.54Å; F280-K292 HydrophobicContact CZ-CD 4.32Å; F280-K292 HydrophobicContact CZ-CG 3.92Å; F280-W295 HydrophobicContact CB-CB 3.4Å; F280-W295 HydrophobicContact CB-CD2 3.99Å; F280-W295 HydrophobicContact CB-CG 3.38Å; F280-W295 HydrophobicContact CD1-CD2 4.15Å; F280-W295 HydrophobicContact CD1-CE3 4.21Å; F280-W295 HydrophobicContact CD1-CG 4.37Å; F280-W295 HydrophobicContact CG-CB 4.06Å; F280-W295 HydrophobicContact CG-CD2 4.45Å; F280-W295 HydrophobicContact CG-CG 4.19Å
281Q57Low48.9Very low138 Ų138102.6 Ų102.665%0.64556%0.557SS**EExtended strand (participates in β ladder)trans-90.4137.8-179.2-168.1168.4-17.400111.2L279 W295L279-Q281 PolarHBondContact O-N 3.36Å; Q281-W295 PolarHBondContact O-NE1 3Å
282C67.2Low50.4Low4 Ų4101.7 Ų101.73%0.02754%0.541CS..  trans-69.3131.7171.4-179.30000110.2T284 C285 K287 H298C282-T284 VanDerWaalsContact C-N 3.29Å; C282-T284 PolarHBondContact O-N 2.65Å; C282-T284 PolarHBondContact SG-N 3.17Å; C282-T284 PolarHBondContact SG-OG1 3.12Å; C282-C285 WeakPolarHBondContact CB-O 3.4Å; C282-C285 PolarHBondContact SG-N 2.89Å; C282-C285 VanDerWaalsContact SG-N 3.37Å; C282-C285 VanDerWaalsContact SG-SG 3.67Å; C282-K287 WeakPolarHBondContact CB-O 3.32Å; C282-K287 PolarHBondContact N-O 2.75Å; C282-H298 VanDerWaalsContact CB-CD2 3.49Å; C282-H298 WeakPolarHBondContact CB-CD2 3.34Å; C282-H298 WeakPolarHBondContact CB-NE2 3.49Å; C282-H298 PolarHBondContact SG-NE2 3.14Å
283P68.3Low52.4Low110 Ų11097.2 Ų97.271%0.71452%0.524SS*.SBendtrans-72.1-22.1176.927.3-33.1000113.2
284T72.6Confident53.9Low54 Ų5490 Ų9033%0.33150%0.497SS..SBendtrans-104-10.7-17555.50000113.4C282 C302 K304 S305C282-T284 VanDerWaalsContact C-N 3.29Å; C282-T284 PolarHBondContact O-N 2.65Å; C282-T284 PolarHBondContact SG-N 3.17Å; C282-T284 PolarHBondContact SG-OG1 3.12Å; T284-C302 PolarHBondContact OG1-SG 2.95Å; T284-K304 WeakPolarHBondContact O-CD 3.27Å; T284-S305 PolarHBondContact OG1-OG 3.46Å
285C73.1Confident55.9Low22 Ų2287.4 Ų87.415%0.14948%0.478CS..SBendtrans-148.9169.2177.688.20000112.8C282 K287 H298 K304C282-C285 WeakPolarHBondContact CB-O 3.4Å; C282-C285 PolarHBondContact SG-N 2.89Å; C282-C285 VanDerWaalsContact SG-N 3.37Å; C282-C285 VanDerWaalsContact SG-SG 3.67Å; C285-K287 PolarHBondContact O-N 2.84Å; C285-K287 VanDerWaalsContact O-N 3.1Å; C285-K287 VanDerWaalsContact SG-CB 3.57Å; C285-K287 VanDerWaalsContact SG-CG 3.58Å; C285-K287 PolarHBondContact SG-N 2.77Å; C285-K287 VanDerWaalsContact SG-N 3.43Å; C285-H298 PolarHBondContact SG-CE1 3.22Å; C285-H298 PolarHBondContact SG-NE2 3.3Å; C285-K304 HydrophobicContact CB-CD 3.93Å
286I73.4Confident58.1Low164 Ų16480.8 Ų80.884%0.84145%0.451SS*.SBendtrans-74.32.7-175.963.3169.9000114.5
287K58.2Low60.3Low119 Ų11980.1 Ų80.152%0.51744%0.436SS..  trans-75.5130.1-176.2-68-179.1-178.7178.10110.3C282 C285 F289C282-K287 WeakPolarHBondContact CB-O 3.32Å; C282-K287 PolarHBondContact N-O 2.75Å; C285-K287 PolarHBondContact O-N 2.84Å; C285-K287 VanDerWaalsContact O-N 3.1Å; C285-K287 VanDerWaalsContact SG-CB 3.57Å; C285-K287 VanDerWaalsContact SG-CG 3.58Å; C285-K287 PolarHBondContact SG-N 2.77Å; C285-K287 VanDerWaalsContact SG-N 3.43Å; K287-F289 HydrophobicContact CB-CE2 3.62Å; K287-F289 HydrophobicContact CB-CZ 3.65Å; K287-F289 HydrophobicContact CD-CZ 4.06Å; K287-F289 HydrophobicContact CG-CZ 4.48Å
288A55.3Low62.2Low55 Ų5576.8 Ų76.846%0.45542%0.415SS..EExtended strand (participates in β ladder)trans-113.5148.1169.500000109.9F280F280-A288 CarbonylContact O-C 3.53Å; F280-A288 WeakPolarHBondContact O-CA 3.33Å
289F59.9Low63.7Low40 Ų4074.5 Ų74.518%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-127.6134.8-174.9-58.2-93.4000109.5F280 K287 T291 G294 W295 H298F280-F289 HydrophobicContact CB-CB 4.36Å; F280-F289 PolarHBondContact N-O 2.87Å; F280-F289 WeakPolarHBondContact O-CD2 3.36Å; F280-F289 PolarHBondContact O-N 3.05Å; K287-F289 HydrophobicContact CB-CE2 3.62Å; K287-F289 HydrophobicContact CB-CZ 3.65Å; K287-F289 HydrophobicContact CD-CZ 4.06Å; K287-F289 HydrophobicContact CG-CZ 4.48Å; F289-T291 VanDerWaalsContact C-N 3.3Å; F289-G294 WeakPolarHBondContact CD1-O 3.46Å; F289-G294 WeakPolarHBondContact CE1-O 3.18Å; F289-W295 HydrophobicContact CB-CB 3.85Å; F289-W295 HydrophobicContact CD2-CB 3.85Å; F289-W295 AromaticContact CD2-CD1 3.92Å; F289-W295 HydrophobicContact CD2-CG 4.31Å; F289-W295 HydrophobicContact CG-CB 3.93Å; F289-H298 HydrophobicContact CD1-CB 4.5Å; F289-H298 HydrophobicContact CE1-CB 3.59Å; F289-H298 HydrophobicContact CE2-CB 3.64Å; F289-H298 AromaticContact CE2-CD2 3.22Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.4Å; F289-H298 AromaticContact CE2-CG 3.49Å; F289-H298 VanDerWaalsContact CE2-CG 3.49Å; F289-H298 HydrophobicContact CZ-CB 3.11Å; F289-H298 AromaticContact CZ-CD2 3.36Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.46Å; F289-H298 AromaticContact CZ-CG 3.09Å; F289-H298 AromaticContact CZ-ND1 3.88Å
290I44.1Very low65.4Low148 Ų14878.8 Ų78.876%0.75941%0.407SS*.SBendtrans-74.4-26.7179.1-57.9168.3000110.9L279L279-I290 HydrophobicContact CD2-CB 4.34Å; L279-I290 HydrophobicContact CD2-CG1 3.82Å
291T48.1Very low66.4Low75 Ų7583.3 Ų83.346%0.4643%0.429SS..SBendtrans-116.2142.4-178.659.40000110.8F289 E293 G294 W295F289-T291 VanDerWaalsContact C-N 3.3Å; T291-E293 PolarHBondContact O-N 2.9Å; T291-G294 PolarHBondContact O-N 3.4Å; T291-G294 PolarHBondContact OG1-N 3.11Å; T291-W295 PolarHBondContact O-N 3.4Å
292K60.3Low67.1Low93 Ų9376.9 Ų76.940%0.40440%0.399SS..Hα-helixtrans-56.9-37.4173.8-171.9175.5179.7174.70112.2F280 W295 T296F280-K292 HydrophobicContact CD1-CG 4.41Å; F280-K292 HydrophobicContact CD2-CB 4.35Å; F280-K292 HydrophobicContact CE1-CB 3.95Å; F280-K292 HydrophobicContact CE1-CD 4.3Å; F280-K292 HydrophobicContact CE1-CG 3.83Å; F280-K292 HydrophobicContact CE2-CB 3.76Å; F280-K292 HydrophobicContact CZ-CB 3.54Å; F280-K292 HydrophobicContact CZ-CD 4.32Å; F280-K292 HydrophobicContact CZ-CG 3.92Å; K292-W295 PolarHBondContact O-N 3.31Å; K292-T296 WeakPolarHBondContact O-CB 3.39Å; K292-T296 PolarHBondContact O-N 3.07Å; K292-T296 PolarHBondContact O-OG1 3.48Å
293E69.5Low67.1Low107 Ų10781.4 Ų81.450%0.543%0.431SS..Hα-helixtrans-64-46.2-179.8-68.667.9-14800111.3T291 W295 T296 S297 R324T291-E293 PolarHBondContact O-N 2.9Å; E293-W295 VanDerWaalsContact C-N 3.32Å; E293-W295 PolarHBondContact O-N 2.68Å; E293-T296 PolarHBondContact O-N 2.91Å; E293-S297 PolarHBondContact O-N 3.06Å; E293-R324 IonicContact OE1-CZ 3.3Å; E293-R324 IonicContact OE1-NH1 3.23Å; E293-R324 PolarHBondContact OE1-NH1 2.9Å
294G62.1Low66.8Low25 Ų2582.5 Ų82.526%0.25842%0.424SS..Hα-helixtrans-59.1-40.7175.200000113.1F289 T291 H298F289-G294 WeakPolarHBondContact CD1-O 3.46Å; F289-G294 WeakPolarHBondContact CE1-O 3.18Å; T291-G294 PolarHBondContact O-N 3.4Å; T291-G294 PolarHBondContact OG1-N 3.11Å; G294-H298 WeakPolarHBondContact O-CB 3.24Å; G294-H298 PolarHBondContact O-N 3.47Å; G294-H298 VanDerWaalsContact O-N 3.07Å
295W72.7Confident66Low72 Ų7283 Ų8327%0.27343%0.43SS..Hα-helixtrans-67.4-44.3174.7176.183.7000113.1F280 Q281 F289 T291 K292 E293 S297 H298 I299F280-W295 HydrophobicContact CB-CB 3.4Å; F280-W295 HydrophobicContact CB-CD2 3.99Å; F280-W295 HydrophobicContact CB-CG 3.38Å; F280-W295 HydrophobicContact CD1-CD2 4.15Å; F280-W295 HydrophobicContact CD1-CE3 4.21Å; F280-W295 HydrophobicContact CD1-CG 4.37Å; F280-W295 HydrophobicContact CG-CB 4.06Å; F280-W295 HydrophobicContact CG-CD2 4.45Å; F280-W295 HydrophobicContact CG-CG 4.19Å; Q281-W295 PolarHBondContact O-NE1 3Å; F289-W295 HydrophobicContact CB-CB 3.85Å; F289-W295 HydrophobicContact CD2-CB 3.85Å; F289-W295 AromaticContact CD2-CD1 3.92Å; F289-W295 HydrophobicContact CD2-CG 4.31Å; F289-W295 HydrophobicContact CG-CB 3.93Å; T291-W295 PolarHBondContact O-N 3.4Å; K292-W295 PolarHBondContact O-N 3.31Å; E293-W295 VanDerWaalsContact C-N 3.32Å; E293-W295 PolarHBondContact O-N 2.68Å; W295-S297 VanDerWaalsContact C-N 3.32Å; W295-S297 PolarHBondContact O-N 2.88Å; W295-H298 PolarHBondContact O-N 2.89Å; W295-H298 VanDerWaalsContact O-N 3.14Å; W295-I299 HydrophobicContact CD2-CD1 3.73Å; W295-I299 HydrophobicContact CD2-CG1 4.42Å; W295-I299 HydrophobicContact CE3-CD1 4.26Å; W295-I299 HydrophobicContact CG-CD1 4.34Å; W295-I299 HydrophobicContact CH2-CD1 3.76Å; W295-I299 HydrophobicContact CZ2-CD1 3.18Å; W295-I299 HydrophobicContact CZ3-CD1 4.26Å; W295-I299 PolarHBondContact O-N 3.07Å
296T72.6Confident64.8Low55 Ų5588.4 Ų88.434%0.33746%0.457SS..Hα-helixtrans-64.8-36.6-179.8-50.10000111.5K292 E293 R300K292-T296 WeakPolarHBondContact O-CB 3.39Å; K292-T296 PolarHBondContact O-N 3.07Å; K292-T296 PolarHBondContact O-OG1 3.48Å; E293-T296 PolarHBondContact O-N 2.91Å; T296-R300 PolarHBondContact O-NE 3.4Å
297S75.7Confident63.2Low50 Ų5087 Ų8735%0.3545%0.451SS..Hα-helixtrans-66.8-44172.1-156.40000111.2E293 W295 R300 E301E293-S297 PolarHBondContact O-N 3.06Å; W295-S297 VanDerWaalsContact C-N 3.32Å; W295-S297 PolarHBondContact O-N 2.88Å; S297-R300 PolarHBondContact O-N 2.83Å; S297-E301 PolarHBondContact O-N 3.42Å
298H74.8Confident62.2Low17 Ų1790.3 Ų90.38%0.07947%0.465CS..Hα-helixtrans-65.6-42.5-179.1168.958.4000113.7C282 C285 F289 G294 W295 R300 E301 C302C282-H298 VanDerWaalsContact CB-CD2 3.49Å; C282-H298 WeakPolarHBondContact CB-CD2 3.34Å; C282-H298 WeakPolarHBondContact CB-NE2 3.49Å; C282-H298 PolarHBondContact SG-NE2 3.14Å; C285-H298 PolarHBondContact SG-CE1 3.22Å; C285-H298 PolarHBondContact SG-NE2 3.3Å; F289-H298 HydrophobicContact CD1-CB 4.5Å; F289-H298 HydrophobicContact CE1-CB 3.59Å; F289-H298 HydrophobicContact CE2-CB 3.64Å; F289-H298 AromaticContact CE2-CD2 3.22Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.4Å; F289-H298 AromaticContact CE2-CG 3.49Å; F289-H298 VanDerWaalsContact CE2-CG 3.49Å; F289-H298 HydrophobicContact CZ-CB 3.11Å; F289-H298 AromaticContact CZ-CD2 3.36Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.46Å; F289-H298 AromaticContact CZ-CG 3.09Å; F289-H298 AromaticContact CZ-ND1 3.88Å; G294-H298 WeakPolarHBondContact O-CB 3.24Å; G294-H298 PolarHBondContact O-N 3.47Å; G294-H298 VanDerWaalsContact O-N 3.07Å; W295-H298 PolarHBondContact O-N 2.89Å; W295-H298 VanDerWaalsContact O-N 3.14Å; H298-R300 PolarHBondContact O-N 3.32Å; H298-E301 CarbonylContact O-C 3.57Å; H298-E301 PolarHBondContact O-N 2.94Å; H298-E301 VanDerWaalsContact O-N 3.11Å; H298-C302 PolarHBondContact CE1-SG 3.43Å; H298-C302 WeakPolarHBondContact O-CA 3.18Å; H298-C302 WeakPolarHBondContact O-CB 3.39Å; H298-C302 PolarHBondContact O-N 3.18Å
299I74.4Confident61.1Low59 Ų5996.8 Ų96.830%0.30349%0.486SS..Hα-helixtrans-59.8-37.9179.8-75-174.8000111.2W295 E301 C302W295-I299 HydrophobicContact CD2-CD1 3.73Å; W295-I299 HydrophobicContact CD2-CG1 4.42Å; W295-I299 HydrophobicContact CE3-CD1 4.26Å; W295-I299 HydrophobicContact CG-CD1 4.34Å; W295-I299 HydrophobicContact CH2-CD1 3.76Å; W295-I299 HydrophobicContact CZ2-CD1 3.18Å; W295-I299 HydrophobicContact CZ3-CD1 4.26Å; W295-I299 PolarHBondContact O-N 3.07Å; I299-E301 VanDerWaalsContact C-N 3.28Å; I299-E301 PolarHBondContact O-N 3.27Å; I299-C302 PolarHBondContact O-N 3.23Å
300R79.6Confident59.8Low191 Ų191101 Ų10172%0.72152%0.515SS*.Hα-helixtrans-64.9-30.1177.1-73.7-173.6-79.1172.5-2.2113.5T296 S297 H298T296-R300 PolarHBondContact O-NE 3.4Å; S297-R300 PolarHBondContact O-N 2.83Å; H298-R300 PolarHBondContact O-N 3.32Å
301E75.2Confident59.1Low151 Ų151100.7 Ų100.771%0.70652%0.521SS*.Hα-helixtrans-108.14.5-177.4-65.6173.5-17400113.2S297 H298 I299 S303S297-E301 PolarHBondContact O-N 3.42Å; H298-E301 CarbonylContact O-C 3.57Å; H298-E301 PolarHBondContact O-N 2.94Å; H298-E301 VanDerWaalsContact O-N 3.11Å; I299-E301 VanDerWaalsContact C-N 3.28Å; I299-E301 PolarHBondContact O-N 3.27Å; E301-S303 PolarHBondContact O-N 3.41Å
302C72.8Confident58.4Low3 Ų3103 Ų1032%0.0253%0.534CS..  trans-69.8106.4-173.1-171.10000109.3T284 H298 I299 K304 S305T284-C302 PolarHBondContact OG1-SG 2.95Å; H298-C302 PolarHBondContact CE1-SG 3.43Å; H298-C302 WeakPolarHBondContact O-CA 3.18Å; H298-C302 WeakPolarHBondContact O-CB 3.39Å; H298-C302 PolarHBondContact O-N 3.18Å; I299-C302 PolarHBondContact O-N 3.23Å; C302-K304 PolarHBondContact O-N 3.13Å; C302-S305 WeakPolarHBondContact CB-OG 3.31Å; C302-S305 VanDerWaalsContact O-CB 3.25Å; C302-S305 WeakPolarHBondContact O-CB 3.2Å; C302-S305 PolarHBondContact O-N 3.41Å; C302-S305 PolarHBondContact O-OG 3.33Å; C302-S305 VanDerWaalsContact O-OG 3.06Å
303S66.9Low56.8Low99 Ų99106.3 Ų106.369%0.69256%0.556SS**G310 helixtrans-55.1-19.6178.4420000114.5E301E301-S303 PolarHBondContact O-N 3.41Å
304K61.5Low55Low134 Ų134107.6 Ų107.658%0.58357%0.571SS**G310 helixtrans-83.7-9175.3-65.9-170.8175.3-168.20114.1T284 C285 C302T284-K304 WeakPolarHBondContact O-CD 3.27Å; C285-K304 HydrophobicContact CB-CD 3.93Å; C302-K304 PolarHBondContact O-N 3.13Å
305S56.4Low53.8Low63 Ų63116 Ų11644%0.44160%0.601SS.*G310 helixtrans-84.2-11.6174.4-42.40000113.1T284 C302 N307T284-S305 PolarHBondContact OG1-OG 3.46Å; C302-S305 WeakPolarHBondContact CB-OG 3.31Å; C302-S305 VanDerWaalsContact O-CB 3.25Å; C302-S305 WeakPolarHBondContact O-CB 3.2Å; C302-S305 PolarHBondContact O-N 3.41Å; C302-S305 PolarHBondContact O-OG 3.33Å; C302-S305 VanDerWaalsContact O-OG 3.06Å; S305-N307 PolarHBondContact O-N 3.37Å
306L46.8Very low51.6Low137 Ų137120.9 Ų120.972%0.71762%0.624SS**  trans-93.217.7-169.1-104.289.9000115.4
307N41Very low49.5Very low135 Ų135126.4 Ų126.472%0.72265%0.651SS**  trans-110106-179.4-74.1-21.6000113.1S305S305-N307 PolarHBondContact O-N 3.37Å
308K37.3Very low47.1Very low187 Ų187130.2 Ų130.281%0.81367%0.667SS**  trans66.1101.9145-69.5179.8173.3-178.50119.3
309E31.4Very low44.8Very low191 Ų191135.2 Ų135.289%0.89370%0.703SS**  24.4102.1128.7-64.8175.5165.100117.3
310T33.5Very low42.5Very low128 Ų128139.3 Ų139.379%0.78572%0.724SS**  trans-152114.2142.7-31.40000109.5V312T310-V312 PolarHBondContact O-N 3.03Å
311T28.7Very low40Very low143 Ų143135 Ų13588%0.87772%0.723SS**  trans-60.6109171.240.60000111.2
312V33.4Very low37.7Very low122 Ų122135.2 Ų135.274%0.73973%0.728SS**  trans-139.2124.1161.41800000109.4T310 T314T310-V312 PolarHBondContact O-N 3.03Å; V312-T314 PolarHBondContact O-N 3.21Å
313N27.1Very low35.5Very low164 Ų164139 Ų13988%0.87775%0.754SS**  trans-50.3115.7174.9-87.3-45.3000113.2
314T31.7Very low33.6Very low133 Ų133142.5 Ų142.582%0.81675%0.752SS**  trans-118103.6155.348.20000109.4V312 K316V312-T314 PolarHBondContact O-N 3.21Å; T314-K316 PolarHBondContact O-N 3.35Å
315K35.6Very low32Very low201 Ų201142.8 Ų142.887%0.87475%0.754SS**  trans-50.6131.8162.9-75.8172.6172174.60109.9
316K27.8Very low30.9Very low176 Ų176148.5 Ų148.577%0.76577%0.773SS**  trans3294.3149.2-80.9-179.3166.5-176.70116.6T314T314-K316 PolarHBondContact O-N 3.35Å
317L28.1Very low30.4Very low170 Ų170144.6 Ų144.689%0.8976%0.755SS**  -114.1108.4128.2-90.9118.4000105.9C319L317-C319 PolarHBondContact O-N 3.36Å
318D25.7Very low30.4Very low131 Ų131139.3 Ų139.370%0.70173%0.728SS**  trans-56.7101.9170.4-68.9-48.6000107.8I320D318-I320 VanDerWaalsContact C-N 3.28Å; D318-I320 PolarHBondContact O-N 3.25Å
319C25.5Very low30.6Very low122 Ų122136.6 Ų136.682%0.82472%0.716SS**  trans-61.199.9161.1-83.50000106.3L317 S321L317-C319 PolarHBondContact O-N 3.36Å; C319-S321 PolarHBondContact O-N 3.21Å
320I26.9Very low31.1Very low145 Ų145129.8 Ų129.874%0.74469%0.689SS**  trans-59.199.4156.5-62173.6000104.9D318 L322D318-I320 VanDerWaalsContact C-N 3.28Å; D318-I320 PolarHBondContact O-N 3.25Å; I320-L322 HydrophobicContact CG2-CG 4.27Å; I320-L322 PolarHBondContact O-N 3.24Å
321S26.3Very low31.4Very low101 Ų101125.1 Ų125.171%0.70666%0.657SS**  trans-58.582.2165.544.50000108C319 S323C319-S321 PolarHBondContact O-N 3.21Å; S321-S323 PolarHBondContact O-N 3.28Å
322L26.5Very low32Very low155 Ų155118.5 Ų118.581%0.81262%0.616SS**  trans-71.472.2152-71.8173.6000106I320 R324I320-L322 HydrophobicContact CG2-CG 4.27Å; I320-L322 PolarHBondContact O-N 3.24Å; L322-R324 PolarHBondContact O-N 3.21Å
323S27.1Very low32.2Very low82 Ų82115.5 Ų115.557%0.57359%0.592SS**  trans-50.7102152.854.60000105.2S321 K325S321-S323 PolarHBondContact O-N 3.28Å; S323-K325 PolarHBondContact O-N 3.01Å
324R27Very low32.7Very low172 Ų172109.2 Ų109.265%0.64956%0.558SS**  trans-60.584.9156.1-78.6-176.5-173.2178.20.2104.2E293 L322 H326E293-R324 IonicContact OE1-CZ 3.3Å; E293-R324 IonicContact OE1-NH1 3.23Å; E293-R324 PolarHBondContact OE1-NH1 2.9Å; L322-R324 PolarHBondContact O-N 3.21Å; R324-H326 PolarHBondContact O-N 2.94Å
325K29.2Very low32.6Very low141 Ų141105.4 Ų105.461%0.61354%0.54SS*.  trans-54115.3162.8-71.2-175.4178-178.60103.6S323 V327S323-K325 PolarHBondContact O-N 3.01Å; K325-V327 PolarHBondContact O-N 2.82Å
326H33.2Very low32.3Very low183 Ų18399.4 Ų99.485%0.84752%0.523SS*.  trans-45.3128.2170.6-97.9-98.9000106.7R324 S328R324-H326 PolarHBondContact O-N 2.94Å; H326-S328 PolarHBondContact O-N 2.86Å
327V34.6Very low32.5Very low54 Ų5493.6 Ų93.633%0.32751%0.505SS..PPolyproline II helixtrans-47117170.8175.60000105.8K325 K329K325-V327 PolarHBondContact O-N 2.82Å; V327-K329 PolarHBondContact O-N 3.31Å
328S41.1Very low32.7Very low24 Ų2492.3 Ų92.317%0.16850%0.499CS..PPolyproline II helixtrans-57.2133179.561.50000107.2S177 H208 H326S177-S328 WeakPolarHBondContact OG-CB 3.42Å; S177-S328 PolarHBondContact OG-OG 3.16Å; H208-S328 PolarHBondContact CE1-OG 2.83Å; H326-S328 PolarHBondContact O-N 2.86Å
329K42.8Very low32.9Very low130 Ų13091.2 Ų91.257%0.56549%0.493SS*.PPolyproline II helixtrans-48135.2-160.4-65.3168.4176.7172.30110.5V327V327-K329 PolarHBondContact O-N 3.31Å
330P41.1Very low33Very low49 Ų4995.5 Ų95.532%0.31850%0.497SS..PPolyproline II helixtrans-56.5146.9177.522.9-31.3000110H208 F332H208-P330 WeakPolarHBondContact O-CA 3.44Å; H208-P330 WeakPolarHBondContact O-CB 3.43Å; P330-F332 PolarHBondContact O-N 3.36Å
331Y39.6Very low33.2Very low30 Ų3093 Ų9312%0.11849%0.485CS..SBendtrans-54.9-26.7-179.4176.4-93.2000112I117 E124 Q126 L178 H208I117-Y331 HydrophobicContact CG2-CE1 4.18Å; E124-Y331 PolarHBondContact OE2-OH 3.34Å; Q126-Y331 VanDerWaalsContact CD-CD2 3.48Å; Q126-Y331 VanDerWaalsContact CD-CE2 3.47Å; Q126-Y331 HydrophobicContact CG-CD2 3.41Å; Q126-Y331 VanDerWaalsContact CG-CD2 3.41Å; Q126-Y331 HydrophobicContact CG-CE2 3.92Å; Q126-Y331 HydrophobicContact CG-CG 4.08Å; L178-Y331 HydrophobicContact CD1-CD2 3.88Å; L178-Y331 HydrophobicContact CD1-CE2 3.53Å; H208-Y331 PolarHBondContact O-N 3.27Å
332F41.5Very low33.3Very low3 Ų392.4 Ų92.41%0.01348%0.481CS..SBendtrans-110.2107.8170.5-49.8-78.2000111I117 I118 F123 T209 P330 I334I117-F332 HydrophobicContact CB-CD1 4.11Å; I117-F332 HydrophobicContact CB-CE1 4.3Å; I117-F332 HydrophobicContact CG2-CD1 3.89Å; I117-F332 HydrophobicContact CG2-CE1 3.75Å; I118-F332 HydrophobicContact CB-CE1 4.47Å; I118-F332 HydrophobicContact CD1-CD1 4.27Å; I118-F332 HydrophobicContact CD1-CE1 4.37Å; I118-F332 HydrophobicContact CD1-CG 4.48Å; I118-F332 HydrophobicContact CG1-CD1 3.6Å; I118-F332 HydrophobicContact CG1-CE1 3.41Å; I118-F332 VanDerWaalsContact CG1-CE1 3.41Å; I118-F332 HydrophobicContact CG1-CG 4.27Å; I118-F332 HydrophobicContact CG1-CZ 3.96Å; F123-F332 AromaticContact CD1-CE2 3.8Å; F123-F332 HydrophobicContact CD1-CE2 3.8Å; F123-F332 AromaticContact CD1-CZ 3.76Å; F123-F332 HydrophobicContact CD1-CZ 3.76Å; F123-F332 HydrophobicContact CE1-CE2 4.15Å; F123-F332 HydrophobicContact CE1-CZ 4.19Å; T209-F332 WeakPolarHBondContact O-CD2 2.87Å; P330-F332 PolarHBondContact O-N 3.36Å; F332-I334 PolarHBondContact O-N 3.22Å
333R37.8Very low33.4Very low59 Ų5993.6 Ų93.622%0.22348%0.482CS..  trans-70.4111.5156.1-77.5-170-165.7151.626.8107.5E180 A335 S337E180-R333 IonicContact OE1-CZ 3.25Å; E180-R333 IonicContact OE1-NE 3.58Å; E180-R333 PolarHBondContact OE1-NE 3.07Å; E180-R333 IonicContact OE1-NH1 2.65Å; E180-R333 PolarHBondContact OE1-NH1 3.35Å; E180-R333 IonicContact OE1-NH2 3.01Å; E180-R333 PolarHBondContact OE1-NH2 2.96Å; E180-R333 IonicContact OE2-CZ 3.2Å; E180-R333 IonicContact OE2-NH1 2.9Å; E180-R333 PolarHBondContact OE2-NH1 2.91Å; E180-R333 IonicContact OE2-NH2 2.66Å; E180-R333 PolarHBondContact OE2-NH2 2.9Å; R333-A335 WeakPolarHBondContact CB-O 3.47Å; R333-A335 PolarHBondContact O-N 3.38Å; R333-A335 VanDerWaalsContact O-N 3.09Å; R333-S337 PolarHBondContact NH1-OG 3Å
334I37Very low33.8Very low32 Ų3294.2 Ų94.216%0.16448%0.476CS..SBendtrans-69.1-3.4173-49.8148.7000110.7Q106 R107 K111 F112 F332Q106-I334 VanDerWaalsContact O-CG2 3.22Å; Q106-I334 WeakPolarHBondContact O-CG2 3.46Å; R107-I334 HydrophobicContact CG-CD1 4.43Å; K111-I334 HydrophobicContact CB-CG2 4.13Å; F112-I334 HydrophobicContact CD2-CG1 4.48Å; F112-I334 HydrophobicContact CD2-CG2 3.85Å; F112-I334 HydrophobicContact CE1-CD1 3.98Å; F112-I334 HydrophobicContact CE1-CG1 3.93Å; F112-I334 HydrophobicContact CE2-CB 4.44Å; F112-I334 HydrophobicContact CE2-CD1 3.45Å; F112-I334 VanDerWaalsContact CE2-CD1 3.45Å; F112-I334 HydrophobicContact CE2-CG1 3.79Å; F112-I334 HydrophobicContact CE2-CG2 3.74Å; F112-I334 HydrophobicContact CZ-CD1 3.12Å; F112-I334 HydrophobicContact CZ-CG1 3.5Å; F112-I334 HydrophobicContact CZ-CG2 4.31Å; F332-I334 PolarHBondContact O-N 3.22Å
335A29.8Very low34.5Very low53 Ų5392 Ų9244%0.43848%0.477SS..SBendtrans-136.3109.616600000109Q106 R333 S337Q106-A335 HydrophobicContact CB-CB 4.48Å; R333-A335 WeakPolarHBondContact CB-O 3.47Å; R333-A335 PolarHBondContact O-N 3.38Å; R333-A335 VanDerWaalsContact O-N 3.09Å; A335-S337 PolarHBondContact O-N 3.33Å
336S29.8Very low35.6Very low75 Ų7590 Ų9052%0.52447%0.467SS..  trans-50.8124170.6-51.20000109.5D338 N339S336-D338 PolarHBondContact O-N 3.43Å; S336-N339 PolarHBondContact O-N 2.87Å
337S32.1Very low36.9Very low55 Ų5585.5 Ų85.539%0.38545%0.446SS..THydrogen-bonded Turntrans-62.1-9.9168.6410000114R333 A335 N339R333-S337 PolarHBondContact NH1-OG 3Å; A335-S337 PolarHBondContact O-N 3.33Å; S337-N339 PolarHBondContact O-N 3.1Å
338D32.2Very low38Very low142 Ų14284.6 Ų84.676%0.75944%0.437SS*.THydrogen-bonded Turntrans-84.2-0.8-177.2-58.9-22.7000112.9S336 K340S336-D338 PolarHBondContact O-N 3.43Å; D338-K340 PolarHBondContact O-N 2.87Å
339N29.3Very low38.9Very low108 Ų10889.5 Ų89.558%0.57845%0.453SS*.  trans-8788.6152.8-90-23000109.4S336 S337 L341S336-N339 PolarHBondContact O-N 2.87Å; S337-N339 PolarHBondContact O-N 3.1Å; N339-L341 HydrophobicContact CB-CB 3.94Å; N339-L341 HydrophobicContact CB-CD1 3.49Å; N339-L341 VanDerWaalsContact CB-CD1 3.49Å; N339-L341 HydrophobicContact CB-CG 3.51Å; N339-L341 WeakPolarHBondContact ND2-CD1 3.42Å; N339-L341 PolarHBondContact O-N 3.16Å
340K28.7Very low39.8Very low212 Ų21283.9 Ų83.992%0.92243%0.43SS*.  trans-6253.3137-142.2-179.9-165.9178.90108.2D338 S342D338-K340 PolarHBondContact O-N 2.87Å; K340-S342 PolarHBondContact O-N 2.66Å
341L30.8Very low40.4Very low93 Ų9387.1 Ų87.149%0.48744%0.441SS..  trans-63.7126.8171.6-95161.6000104.9N339N339-L341 HydrophobicContact CB-CB 3.94Å; N339-L341 HydrophobicContact CB-CD1 3.49Å; N339-L341 VanDerWaalsContact CB-CD1 3.49Å; N339-L341 HydrophobicContact CB-CG 3.51Å; N339-L341 WeakPolarHBondContact ND2-CD1 3.42Å; N339-L341 PolarHBondContact O-N 3.16Å
342S27.9Very low41Very low88 Ų8888.6 Ų88.662%0.61545%0.45SS*.  trans-33.3143.6162.948.80000110.1K340 E344K340-S342 PolarHBondContact O-N 2.66Å; S342-E344 PolarHBondContact O-N 3.34Å
343E29.3Very low41.6Very low180 Ų18097.9 Ų97.984%0.84149%0.494SS*.  trans-4790.9161.8-72.1178.614600108.3N345E343-N345 VanDerWaalsContact C-N 3.31Å; E343-N345 PolarHBondContact O-N 3.48Å
344E35.4Very low42.4Very low96 Ų9699.2 Ų99.245%0.44953%0.526SS..  trans-63.7107.9168.2-78.1-175.5168.300102.6S342 Y346S342-E344 PolarHBondContact O-N 3.34Å; E344-Y346 HydrophobicContact CB-CE1 4.47Å; E344-Y346 HydrophobicContact CB-CE2 4.12Å; E344-Y346 WeakPolarHBondContact O-CD2 3.47Å; E344-Y346 PolarHBondContact O-N 3.28Å; E344-Y346 PolarHBondContact OE2-OH 3.34Å
345N42.3Very low43.5Very low125 Ų12599 Ų9967%0.66853%0.527SS*.  trans-62.384.3177-79.1-47.4000107.5E343 E347E343-N345 VanDerWaalsContact C-N 3.31Å; E343-N345 PolarHBondContact O-N 3.48Å; N345-E347 PolarHBondContact O-N 3.44Å
346Y50.7Low45.6Very low100 Ų100102.1 Ų102.139%0.39255%0.546SS..  trans-63.5107.1175.4-69.1-72.3000107.9E344 T360E344-Y346 HydrophobicContact CB-CE1 4.47Å; E344-Y346 HydrophobicContact CB-CE2 4.12Å; E344-Y346 WeakPolarHBondContact O-CD2 3.47Å; E344-Y346 PolarHBondContact O-N 3.28Å; E344-Y346 PolarHBondContact OE2-OH 3.34Å; Y346-T360 WeakPolarHBondContact O-CA 3.38Å
347E60.6Low47.3Very low88 Ų88102 Ų10241%0.41154%0.535SS..  trans-84.8118.2171.3-71.3-169.3159.400109.6N345 Y349 T360N345-E347 PolarHBondContact O-N 3.44Å; E347-Y349 HydrophobicContact CB-CE1 4.04Å; E347-Y349 HydrophobicContact CB-CE2 3.82Å; E347-Y349 VanDerWaalsContact CB-CZ 3.48Å; E347-Y349 WeakPolarHBondContact CB-OH 3.34Å; E347-Y349 WeakPolarHBondContact O-CD2 3.42Å; E347-Y349 VanDerWaalsContact O-CE2 3.3Å; E347-Y349 WeakPolarHBondContact O-CE2 3.23Å; E347-Y349 PolarHBondContact OE2-OH 3.06Å; E347-T360 HydrophobicContact CG-CG2 4.1Å
348F57.8Low49.3Very low34 Ų34104.7 Ų104.715%0.14954%0.541CS..EExtended strand (participates in β ladder)trans-86.9109.3172.4-60.8-81.8000109.4P102 Q358 S359 L362 Y365P102-F348 HydrophobicContact CG-CE1 4.22Å; P102-F348 HydrophobicContact CG-CZ 3.89Å; F348-Q358 CarbonylContact O-C 3.59Å; F348-Q358 WeakPolarHBondContact O-CA 3.42Å; F348-S359 WeakPolarHBondContact CB-O 3.32Å; F348-S359 VanDerWaalsContact CD2-O 3.26Å; F348-S359 WeakPolarHBondContact CD2-O 3.45Å; F348-S359 PolarHBondContact N-O 3.04Å; F348-S359 PolarHBondContact O-N 3.27Å; F348-L362 HydrophobicContact CD1-CD1 3.99Å; F348-L362 HydrophobicContact CD2-CB 4.41Å; F348-L362 HydrophobicContact CE1-CB 4.15Å; F348-L362 HydrophobicContact CE1-CD1 3.58Å; F348-L362 HydrophobicContact CE1-CG 4.37Å; F348-L362 HydrophobicContact CE2-CB 3.73Å; F348-L362 HydrophobicContact CZ-CB 3.58Å; F348-L362 HydrophobicContact CZ-CD1 3.95Å; F348-L362 HydrophobicContact CZ-CG 4.24Å; F348-Y365 HydrophobicContact CB-CD1 4.42Å; F348-Y365 HydrophobicContact CB-CD2 3.79Å; F348-Y365 HydrophobicContact CB-CG 3.7Å; F348-Y365 HydrophobicContact CG-CG 4.28Å
349Y61.5Low51.2Low127 Ų12798.8 Ų98.850%0.49851%0.51SS..EExtended strand (participates in β ladder)trans-94.4138.6175.1-49.4-84.7000111E347 Q351 Q358E347-Y349 HydrophobicContact CB-CE1 4.04Å; E347-Y349 HydrophobicContact CB-CE2 3.82Å; E347-Y349 VanDerWaalsContact CB-CZ 3.48Å; E347-Y349 WeakPolarHBondContact CB-OH 3.34Å; E347-Y349 WeakPolarHBondContact O-CD2 3.42Å; E347-Y349 VanDerWaalsContact O-CE2 3.3Å; E347-Y349 WeakPolarHBondContact O-CE2 3.23Å; E347-Y349 PolarHBondContact OE2-OH 3.06Å; Y349-Q351 PolarHBondContact O-N 2.87Å; Y349-Q358 HydrophobicContact CD1-CB 3.82Å; Y349-Q358 HydrophobicContact CE1-CB 4.22Å
350C61.6Low53Low13 Ų1397.3 Ų97.39%0.08851%0.506CS..  trans-74123.7170.2-170.80000110.9C355 Y357 Y365 H368 H373C350-C355 HydrophobicContact CB-CB 4.02Å; C350-C355 VanDerWaalsContact CB-SG 3.58Å; C350-Y357 WeakPolarHBondContact CB-O 3.47Å; C350-Y357 PolarHBondContact N-O 3.24Å; C350-Y365 HydrophobicContact CB-CE2 4.41Å; C350-H368 PolarHBondContact SG-NE2 2.81Å; C350-H368 VanDerWaalsContact SG-NE2 3.37Å; C350-H373 VanDerWaalsContact SG-CD2 3.59Å; C350-H373 PolarHBondContact SG-NE2 3Å
351Q52.7Low54.7Low116 Ų11693.9 Ų93.954%0.54249%0.491SS..  trans-89.90.3-177.7-64.9178.9-3.200113.8S98 Y349 Q353S98-Q351 PolarHBondContact OG-NE2 2.96Å; Y349-Q351 PolarHBondContact O-N 2.87Å; Q351-Q353 PolarHBondContact O-N 3.45Å
352I51.8Low56Low61 Ų6191.4 Ų91.431%0.31348%0.478SS..SBendtrans-71.7124175.7-58.9-119.8000108.1G354 C355 Y369 H373I352-G354 PolarHBondContact O-N 3.36Å; I352-C355 HydrophobicContact CB-CB 4.2Å; I352-C355 VanDerWaalsContact O-CB 3.3Å; I352-C355 WeakPolarHBondContact O-CB 3.46Å; I352-C355 PolarHBondContact O-N 2.99Å; I352-Y369 HydrophobicContact CD1-CE2 4.15Å; I352-Y369 HydrophobicContact CG1-CE2 4.17Å; I352-H373 HydrophobicContact CD1-CB 3.61Å; I352-H373 VanDerWaalsContact CD1-CG 3.48Å; I352-H373 HydrophobicContact CG1-CB 4.29Å
353Q54.1Low57.4Low198 Ų19891.1 Ų91.193%0.92548%0.476SS*.THydrogen-bonded Turntrans-51.6124.4179.7-168.3179.11400110.8Q351Q351-Q353 PolarHBondContact O-N 3.45Å
354G55.3Low59.3Low87 Ų8784 Ų8490%0.89745%0.448SS*.THydrogen-bonded Turntrans88.2-5.3-177.300000115.6I352I352-G354 PolarHBondContact O-N 3.36Å
355C59.7Low60.8Low28 Ų2881.2 Ų81.219%0.18943%0.433CS..  trans-92.9113.5173-171.80000111.6C350 I352 Y357 H368C350-C355 HydrophobicContact CB-CB 4.02Å; C350-C355 VanDerWaalsContact CB-SG 3.58Å; I352-C355 HydrophobicContact CB-CB 4.2Å; I352-C355 VanDerWaalsContact O-CB 3.3Å; I352-C355 WeakPolarHBondContact O-CB 3.46Å; I352-C355 PolarHBondContact O-N 2.99Å; C355-Y357 VanDerWaalsContact C-N 3.3Å; C355-Y357 PolarHBondContact O-N 3.13Å; C355-H368 PolarHBondContact SG-CE1 3.16Å; C355-H368 PolarHBondContact SG-NE2 3.34Å
356S73.7Confident61.7Low119 Ų11978.7 Ų78.783%0.83241%0.414SS*.  trans-90.718177.969.70000113.7Q358S356-Q358 PolarHBondContact O-N 3.16Å
357Y66.4Low62.2Low73 Ų7375.3 Ų75.329%0.28641%0.407SS..  trans-74.2129.5-176.4-176.5-88.2000110.9C350 C355 A364 H368C350-Y357 WeakPolarHBondContact CB-O 3.47Å; C350-Y357 PolarHBondContact N-O 3.24Å; C355-Y357 VanDerWaalsContact C-N 3.3Å; C355-Y357 PolarHBondContact O-N 3.13Å; Y357-A364 WeakPolarHBondContact OH-CB 3.25Å; Y357-A364 PolarHBondContact OH-O 2.64Å; Y357-H368 WeakPolarHBondContact CB-CE1 3.36Å; Y357-H368 WeakPolarHBondContact CB-NE2 3.37Å; Y357-H368 HydrophobicContact CD1-CB 3.66Å; Y357-H368 AromaticContact CD1-CD2 3.5Å; Y357-H368 AromaticContact CD1-CG 3.35Å; Y357-H368 AromaticContact CD1-ND1 3.88Å; Y357-H368 HydrophobicContact CD2-CB 4.1Å; Y357-H368 AromaticContact CD2-CG 3.76Å; Y357-H368 AromaticContact CD2-ND1 3.49Å; Y357-H368 WeakPolarHBondContact CD2-ND1 3.41Å; Y357-H368 HydrophobicContact CE1-CB 3.51Å; Y357-H368 AromaticContact CE1-CG 3.79Å; Y357-H368 HydrophobicContact CE2-CB 3.94Å; Y357-H368 HydrophobicContact CG-CB 3.96Å; Y357-H368 AromaticContact CG-CD2 3.67Å; Y357-H368 AromaticContact CG-CE1 3.67Å; Y357-H368 AromaticContact CG-CG 3.34Å; Y357-H368 AromaticContact CG-ND1 3.32Å; Y357-H368 VanDerWaalsContact CG-ND1 3.32Å; Y357-H368 AromaticContact CG-NE2 3.87Å
358Q72.8Confident62.8Low111 Ų11171.6 Ų71.652%0.51939%0.39SS..EExtended strand (participates in β ladder)trans-132.9154.2170.868.1-17219.600110.7F348 Y349 S356F348-Q358 CarbonylContact O-C 3.59Å; F348-Q358 WeakPolarHBondContact O-CA 3.42Å; Y349-Q358 HydrophobicContact CD1-CB 3.82Å; Y349-Q358 HydrophobicContact CE1-CB 4.22Å; S356-Q358 PolarHBondContact O-N 3.16Å
359S72.1Confident62.9Low17 Ų1772.2 Ų72.212%0.11939%0.391CS..EExtended strand (participates in β ladder)trans-157.4141.2-179.8169.20000110.5F348 K361 A364F348-S359 WeakPolarHBondContact CB-O 3.32Å; F348-S359 VanDerWaalsContact CD2-O 3.26Å; F348-S359 WeakPolarHBondContact CD2-O 3.45Å; F348-S359 PolarHBondContact N-O 3.04Å; F348-S359 PolarHBondContact O-N 3.27Å; S359-K361 VanDerWaalsContact C-N 3.26Å; S359-K361 PolarHBondContact OG-N 3.39Å; S359-K361 PolarHBondContact OG-O 3.12Å; S359-A364 WeakPolarHBondContact OG-CB 3.41Å
360T68.2Low62.8Low78 Ų7873.4 Ų73.448%0.47940%0.395SS..SBendtrans-78.4-13.1169.754.40000112.9Y346 E347Y346-T360 WeakPolarHBondContact O-CA 3.38Å; E347-T360 HydrophobicContact CG-CG2 4.1Å
361K64.4Low62.6Low139 Ų13980.4 Ų80.460%0.60442%0.42SS*.  trans-104.4124.6179.6-62.8-175-178.6-179.40111.7S359 S363 A364 Y365S359-K361 VanDerWaalsContact C-N 3.26Å; S359-K361 PolarHBondContact OG-N 3.39Å; S359-K361 PolarHBondContact OG-O 3.12Å; K361-S363 VanDerWaalsContact C-N 3.28Å; K361-S363 PolarHBondContact O-N 2.99Å; K361-A364 HydrophobicContact CB-CB 4.11Å; K361-A364 PolarHBondContact O-N 3.19Å; K361-Y365 PolarHBondContact O-N 3.4Å
362L56.9Low62.9Low42 Ų4280.5 Ų80.522%0.2242%0.416CS..Hα-helixtrans-59.6-37.717518059.8000112.3P102 F348 A364 Y365 R366P102-L362 HydrophobicContact CG-CD2 4.46Å; F348-L362 HydrophobicContact CD1-CD1 3.99Å; F348-L362 HydrophobicContact CD2-CB 4.41Å; F348-L362 HydrophobicContact CE1-CB 4.15Å; F348-L362 HydrophobicContact CE1-CD1 3.58Å; F348-L362 HydrophobicContact CE1-CG 4.37Å; F348-L362 HydrophobicContact CE2-CB 3.73Å; F348-L362 HydrophobicContact CZ-CB 3.58Å; F348-L362 HydrophobicContact CZ-CD1 3.95Å; F348-L362 HydrophobicContact CZ-CG 4.24Å; L362-A364 VanDerWaalsContact C-N 3.32Å; L362-A364 PolarHBondContact O-N 3.43Å; L362-Y365 HydrophobicContact CD1-CD1 4.37Å; L362-Y365 PolarHBondContact O-N 2.83Å; L362-R366 HydrophobicContact CD1-CG 4.32Å; L362-R366 HydrophobicContact CG-CG 4.47Å; L362-R366 WeakPolarHBondContact O-CB 3.44Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.24Å; L362-R366 PolarHBondContact O-N 2.84Å
363S57.5Low63.3Low82 Ų8280.1 Ų80.157%0.57341%0.413SS*.Hα-helixtrans-63.1-38.4178.356.10000112.3K361 A367K361-S363 VanDerWaalsContact C-N 3.28Å; K361-S363 PolarHBondContact O-N 2.99Å; S363-A367 WeakPolarHBondContact O-CB 3.22Å; S363-A367 PolarHBondContact O-N 2.66Å
364A68.7Low63.2Low30 Ų3075.2 Ų75.225%0.24839%0.392CS..Hα-helixtrans-74.2-40177.700000111.5Y357 S359 K361 L362 R366 A367 H368Y357-A364 WeakPolarHBondContact OH-CB 3.25Å; Y357-A364 PolarHBondContact OH-O 2.64Å; S359-A364 WeakPolarHBondContact OG-CB 3.41Å; K361-A364 HydrophobicContact CB-CB 4.11Å; K361-A364 PolarHBondContact O-N 3.19Å; L362-A364 VanDerWaalsContact C-N 3.32Å; L362-A364 PolarHBondContact O-N 3.43Å; A364-R366 PolarHBondContact O-N 2.89Å; A364-A367 PolarHBondContact O-N 2.93Å; A364-H368 WeakPolarHBondContact O-CB 3.49Å; A364-H368 PolarHBondContact O-N 2.99Å
365Y67.6Low62.8Low37 Ų3773.1 Ų73.115%0.14536%0.364CS..Hα-helixtrans-56.9-47.8169.2174.4-101000112.4F348 C350 K361 L362 A367 H368 Y369F348-Y365 HydrophobicContact CB-CD1 4.42Å; F348-Y365 HydrophobicContact CB-CD2 3.79Å; F348-Y365 HydrophobicContact CB-CG 3.7Å; F348-Y365 HydrophobicContact CG-CG 4.28Å; C350-Y365 HydrophobicContact CB-CE2 4.41Å; K361-Y365 PolarHBondContact O-N 3.4Å; L362-Y365 HydrophobicContact CD1-CD1 4.37Å; L362-Y365 PolarHBondContact O-N 2.83Å; Y365-A367 VanDerWaalsContact C-N 3.32Å; Y365-A367 PolarHBondContact O-N 2.62Å; Y365-H368 WeakPolarHBondContact O-CB 3.36Å; Y365-H368 PolarHBondContact O-N 3Å; Y365-Y369 PolarHBondContact O-N 2.69Å
366R61.2Low62.4Low72 Ų7275 Ų7527%0.27238%0.378SS..Hα-helixtrans-61.1-38.6175.4-74171.8175.3175.7-2.9112.9W235 L362 A364 R370W235-R366 VanDerWaalsContact CZ2-NH2 3.3Å; W235-R366 HydrophobicContact CZ3-CG 4.2Å; L362-R366 HydrophobicContact CD1-CG 4.32Å; L362-R366 HydrophobicContact CG-CG 4.47Å; L362-R366 WeakPolarHBondContact O-CB 3.44Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.24Å; L362-R366 PolarHBondContact O-N 2.84Å; A364-R366 PolarHBondContact O-N 2.89Å; R366-R370 WeakPolarHBondContact O-CB 3.43Å; R366-R370 VanDerWaalsContact O-CG 3.32Å; R366-R370 WeakPolarHBondContact O-CG 3.12Å; R366-R370 PolarHBondContact O-N 3.36Å; R366-R370 VanDerWaalsContact O-N 3.14Å; R366-R370 PolarHBondContact O-NE 2.64Å
367A62Low61.3Low29 Ų2970.3 Ų70.324%0.2434%0.343CS..Hα-helixtrans-67.8-40.6176.100000111.1S363 A364 Y365 R371S363-A367 WeakPolarHBondContact O-CB 3.22Å; S363-A367 PolarHBondContact O-N 2.66Å; A364-A367 PolarHBondContact O-N 2.93Å; Y365-A367 VanDerWaalsContact C-N 3.32Å; Y365-A367 PolarHBondContact O-N 2.62Å; A367-R371 WeakPolarHBondContact O-CB 3.38Å; A367-R371 WeakPolarHBondContact O-CD 3.43Å; A367-R371 WeakPolarHBondContact O-CG 3.44Å; A367-R371 PolarHBondContact O-N 2.99Å; A367-R371 VanDerWaalsContact O-N 3.14Å
368H73Confident60.5Low11 Ų1173.3 Ų73.35%0.05137%0.372CS..Hα-helixtrans-59.7-57172.816477000110.9C350 C355 Y357 A364 Y365 R370 R371 Y372 H373C350-H368 PolarHBondContact SG-NE2 2.81Å; C350-H368 VanDerWaalsContact SG-NE2 3.37Å; C355-H368 PolarHBondContact SG-CE1 3.16Å; C355-H368 PolarHBondContact SG-NE2 3.34Å; Y357-H368 WeakPolarHBondContact CB-CE1 3.36Å; Y357-H368 WeakPolarHBondContact CB-NE2 3.37Å; Y357-H368 HydrophobicContact CD1-CB 3.66Å; Y357-H368 AromaticContact CD1-CD2 3.5Å; Y357-H368 AromaticContact CD1-CG 3.35Å; Y357-H368 AromaticContact CD1-ND1 3.88Å; Y357-H368 HydrophobicContact CD2-CB 4.1Å; Y357-H368 AromaticContact CD2-CG 3.76Å; Y357-H368 AromaticContact CD2-ND1 3.49Å; Y357-H368 WeakPolarHBondContact CD2-ND1 3.41Å; Y357-H368 HydrophobicContact CE1-CB 3.51Å; Y357-H368 AromaticContact CE1-CG 3.79Å; Y357-H368 HydrophobicContact CE2-CB 3.94Å; Y357-H368 HydrophobicContact CG-CB 3.96Å; Y357-H368 AromaticContact CG-CD2 3.67Å; Y357-H368 AromaticContact CG-CE1 3.67Å; Y357-H368 AromaticContact CG-CG 3.34Å; Y357-H368 AromaticContact CG-ND1 3.32Å; Y357-H368 VanDerWaalsContact CG-ND1 3.32Å; Y357-H368 AromaticContact CG-NE2 3.87Å; A364-H368 WeakPolarHBondContact O-CB 3.49Å; A364-H368 PolarHBondContact O-N 2.99Å; Y365-H368 WeakPolarHBondContact O-CB 3.36Å; Y365-H368 PolarHBondContact O-N 3Å; H368-R370 VanDerWaalsContact C-N 3.34Å; H368-R370 PolarHBondContact O-N 2.83Å; H368-R371 CarbonylContact O-C 3.57Å; H368-R371 PolarHBondContact O-N 3.31Å; H368-Y372 HydrophobicContact CB-CD2 4.41Å; H368-Y372 AromaticContact CE1-CD2 3.75Å; H368-Y372 AromaticContact ND1-CD2 3.2Å; H368-Y372 WeakPolarHBondContact ND1-CD2 3.44Å; H368-Y372 AromaticContact ND1-CE2 3.78Å; H368-Y372 AromaticContact ND1-CG 3.94Å; H368-Y372 VanDerWaalsContact O-CD2 3.26Å; H368-Y372 WeakPolarHBondContact O-CD2 3.47Å; H368-Y372 PolarHBondContact O-N 3.35Å; H368-H373 AromaticContact CE1-NE2 3.55Å; H368-H373 AromaticContact NE2-CD2 3.53Å; H368-H373 AromaticContact NE2-NE2 2.99Å; H368-H373 PolarHBondContact NE2-NE2 3.16Å
369Y60.3Low60.1Low46 Ų4671 Ų7118%0.1836%0.363CS..Hα-helixtrans-57.8-45.8-175.8-168.8-89.4000112.5V238 I352 Y365 R371 Y372 H373 L374V238-Y369 WeakPolarHBondContact CG2-OH 3.47Å; I352-Y369 HydrophobicContact CD1-CE2 4.15Å; I352-Y369 HydrophobicContact CG1-CE2 4.17Å; Y365-Y369 PolarHBondContact O-N 2.69Å; Y369-R371 VanDerWaalsContact C-N 3.28Å; Y369-R371 PolarHBondContact O-N 3.5Å; Y369-Y372 PolarHBondContact O-N 2.73Å; Y369-H373 HydrophobicContact CD2-CB 4.12Å; Y369-H373 AromaticContact CD2-CD2 3.74Å; Y369-H373 HydrophobicContact CE2-CB 4.08Å; Y369-H373 HydrophobicContact CG-CB 4.38Å; Y369-H373 WeakPolarHBondContact O-CA 3.28Å; Y369-H373 WeakPolarHBondContact O-CB 3.38Å; Y369-H373 PolarHBondContact O-N 3.13Å; Y369-L374 HydrophobicContact CE1-CD1 4.09Å; Y369-L374 PolarHBondContact O-N 2.97Å
370R59Low59.8Low152 Ų15271 Ų7157%0.57437%0.365SS*.Hα-helixtrans-62.1-32.6175.9-74-173.9-67.1-171.62.4114R366 H368 L374 S375R366-R370 WeakPolarHBondContact O-CB 3.43Å; R366-R370 VanDerWaalsContact O-CG 3.32Å; R366-R370 WeakPolarHBondContact O-CG 3.12Å; R366-R370 PolarHBondContact O-N 3.36Å; R366-R370 VanDerWaalsContact O-N 3.14Å; R366-R370 PolarHBondContact O-NE 2.64Å; H368-R370 VanDerWaalsContact C-N 3.34Å; H368-R370 PolarHBondContact O-N 2.83Å; R370-L374 HydrophobicContact CG-CD2 3.99Å; R370-S375 PolarHBondContact O-OG 3.18Å
371R57.5Low60.2Low160 Ų16069.7 Ų69.760%0.60436%0.355SS*.Hα-helixtrans-91.1-17-176.2-75.6177.7176.6179.50.3114.3A367 H368 Y369 W382A367-R371 WeakPolarHBondContact O-CB 3.38Å; A367-R371 WeakPolarHBondContact O-CD 3.43Å; A367-R371 WeakPolarHBondContact O-CG 3.44Å; A367-R371 PolarHBondContact O-N 2.99Å; A367-R371 VanDerWaalsContact O-N 3.14Å; H368-R371 CarbonylContact O-C 3.57Å; H368-R371 PolarHBondContact O-N 3.31Å; Y369-R371 VanDerWaalsContact C-N 3.28Å; Y369-R371 PolarHBondContact O-N 3.5Å; R371-W382 WeakPolarHBondContact O-CH2 3.38Å; R371-W382 WeakPolarHBondContact O-CZ2 3.35Å; R371-W382 PolarHBondContact O-NE1 3.31Å
372Y58Low60.7Low118 Ų11863.9 Ų63.946%0.46333%0.329SS..Hα-helixtrans-122-21-174.2-67-78.2000112.8H368 Y369H368-Y372 HydrophobicContact CB-CD2 4.41Å; H368-Y372 AromaticContact CE1-CD2 3.75Å; H368-Y372 AromaticContact ND1-CD2 3.2Å; H368-Y372 WeakPolarHBondContact ND1-CD2 3.44Å; H368-Y372 AromaticContact ND1-CE2 3.78Å; H368-Y372 AromaticContact ND1-CG 3.94Å; H368-Y372 VanDerWaalsContact O-CD2 3.26Å; H368-Y372 WeakPolarHBondContact O-CD2 3.47Å; H368-Y372 PolarHBondContact O-N 3.35Å; Y369-Y372 PolarHBondContact O-N 2.73Å
373H61.3Low62.1Low54 Ų5463.7 Ų63.725%0.2533%0.326CS..THydrogen-bonded Turntrans-127.3-14.4-171.2-56.1-49.5000115.1C350 I352 H368 Y369C350-H373 VanDerWaalsContact SG-CD2 3.59Å; C350-H373 PolarHBondContact SG-NE2 3Å; I352-H373 HydrophobicContact CD1-CB 3.61Å; I352-H373 VanDerWaalsContact CD1-CG 3.48Å; I352-H373 HydrophobicContact CG1-CB 4.29Å; H368-H373 AromaticContact CE1-NE2 3.55Å; H368-H373 AromaticContact NE2-CD2 3.53Å; H368-H373 AromaticContact NE2-NE2 2.99Å; H368-H373 PolarHBondContact NE2-NE2 3.16Å; Y369-H373 HydrophobicContact CD2-CB 4.12Å; Y369-H373 AromaticContact CD2-CD2 3.74Å; Y369-H373 HydrophobicContact CE2-CB 4.08Å; Y369-H373 HydrophobicContact CG-CB 4.38Å; Y369-H373 WeakPolarHBondContact O-CA 3.28Å; Y369-H373 WeakPolarHBondContact O-CB 3.38Å; Y369-H373 PolarHBondContact O-N 3.13Å
374L51.4Low63.4Low95 Ų9560.3 Ų60.350%0.49730%0.302SS..SBendtrans-102-11.1-170.5-158.168.9000115.3Y369 R370Y369-L374 HydrophobicContact CE1-CD1 4.09Å; Y369-L374 PolarHBondContact O-N 2.97Å; R370-L374 HydrophobicContact CG-CD2 3.99Å
375S46.8Very low64.4Low42 Ų4259.2 Ų59.229%0.29429%0.293SS..SBendtrans-140.4124-169.735.10000115R370 N377 W382R370-S375 PolarHBondContact O-OG 3.18Å; S375-N377 PolarHBondContact O-N 3.36Å; S375-W382 WeakPolarHBondContact O-CH2 3.45Å; S375-W382 WeakPolarHBondContact OG-CH2 3.26Å; S375-W382 WeakPolarHBondContact OG-CZ3 3.22Å
376S50.8Low65.1Low69 Ų6959.6 Ų59.648%0.48330%0.296SS..SBendtrans40.5-14.9146.1-36.70000123.2P378 Q427S376-P378 VanDerWaalsContact O-CD 3.31Å; S376-P378 WeakPolarHBondContact O-CD 3.34Å; S376-Q427 VanDerWaalsContact CB-CD 3.46Å; S376-Q427 VanDerWaalsContact CB-OE1 3.25Å; S376-Q427 VanDerWaalsContact OG-CD 3.26Å; S376-Q427 PolarHBondContact OG-OE1 2.93Å
377N52.1Low66.3Low19 Ų1958.8 Ų58.810%0.10230%0.297CS..  trans-11690.9-175.6-85.6-32.9000112.2S375 D379 G380 W382 R392 Q427 T428S375-N377 PolarHBondContact O-N 3.36Å; N377-D379 PolarHBondContact O-N 3.43Å; N377-D379 VanDerWaalsContact O-N 3.16Å; N377-G380 PolarHBondContact O-N 3.36Å; N377-G380 VanDerWaalsContact O-N 3.12Å; N377-W382 HydrophobicContact CB-CZ2 4.48Å; N377-R392 PolarHBondContact ND2-NH2 2.92Å; N377-R392 PolarHBondContact OD1-NH2 3.1Å; N377-Q427 PolarHBondContact ND2-O 3.48Å; N377-T428 WeakPolarHBondContact ND2-CG2 3.4Å
378P49.9Very low67.4Low137 Ų13759.1 Ų59.189%0.8930%0.296SS*.THydrogen-bonded Turntrans-63-20.4179.922.5-31.2000113.8S376S376-P378 VanDerWaalsContact O-CD 3.31Å; S376-P378 WeakPolarHBondContact O-CD 3.34Å
379D64Low67.6Low62 Ų6265.1 Ų65.133%0.33234%0.34SS..THydrogen-bonded Turntrans-88.1-9.9178.760.97.1000114.2N377 L381 R392 R394N377-D379 PolarHBondContact O-N 3.43Å; N377-D379 VanDerWaalsContact O-N 3.16Å; D379-L381 HydrophobicContact CB-CD1 4.31Å; D379-L381 HydrophobicContact CB-CG 4.13Å; D379-L381 PolarHBondContact O-N 3.3Å; D379-L381 PolarHBondContact OD1-N 3.42Å; D379-R392 IonicContact OD1-CZ 3.83Å; D379-R392 IonicContact OD1-NH1 2.62Å; D379-R392 IonicContact OD1-NH2 3.4Å; D379-R392 PolarHBondContact OD1-NH2 3.47Å; D379-R392 IonicContact OD2-CZ 3.32Å; D379-R392 IonicContact OD2-NH1 2.66Å; D379-R392 PolarHBondContact OD2-NH1 3.33Å; D379-R392 IonicContact OD2-NH2 3.67Å; D379-R394 PolarHBondContact O-NH2 3.31Å
380G65.6Low68.5Low16 Ų1668 Ų6817%0.16537%0.367CS..  trans64.820.2-173.200000114N377 W382 R394N377-G380 PolarHBondContact O-N 3.36Å; N377-G380 VanDerWaalsContact O-N 3.12Å; G380-W382 PolarHBondContact O-N 3.4Å; G380-R394 WeakPolarHBondContact O-CG 3.34Å
381L76.8Confident69.9Low51 Ų5164.3 Ų64.327%0.26735%0.353SS..  trans-94.376.5178.4-60.2179.1000110.8D379 Y383 R392 A393 R394 T428D379-L381 HydrophobicContact CB-CD1 4.31Å; D379-L381 HydrophobicContact CB-CG 4.13Å; D379-L381 PolarHBondContact O-N 3.3Å; D379-L381 PolarHBondContact OD1-N 3.42Å; L381-Y383 VanDerWaalsContact C-N 3.29Å; L381-Y383 PolarHBondContact O-N 3.31Å; L381-R392 HydrophobicContact CB-CB 3.72Å; L381-R392 HydrophobicContact CD1-CB 3.97Å; L381-R392 HydrophobicContact CG-CB 4.42Å; L381-R392 PolarHBondContact O-NE 3.38Å; L381-R392 PolarHBondContact O-NH2 2.87Å; L381-A393 CarbonylContact C-O 3.38Å; L381-R394 HydrophobicContact CD2-CB 4.17Å; L381-T428 WeakPolarHBondContact O-CG2 3.27Å
382W75.1Confident71.3Confident17 Ų1760.4 Ų60.46%0.06434%0.339CS..  trans-67.3-18.7-172.6-65.494.2000116.1R371 S375 N377 G380 A393 T428 Y429R371-W382 WeakPolarHBondContact O-CH2 3.38Å; R371-W382 WeakPolarHBondContact O-CZ2 3.35Å; R371-W382 PolarHBondContact O-NE1 3.31Å; S375-W382 WeakPolarHBondContact O-CH2 3.45Å; S375-W382 WeakPolarHBondContact OG-CH2 3.26Å; S375-W382 WeakPolarHBondContact OG-CZ3 3.22Å; N377-W382 HydrophobicContact CB-CZ2 4.48Å; G380-W382 PolarHBondContact O-N 3.4Å; W382-A393 PolarHBondContact N-O 3.28Å; W382-T428 CarbonylContact O-C 3.41Å; W382-T428 WeakPolarHBondContact O-CA 3.42Å; W382-T428 WeakPolarHBondContact O-CB 3.33Å; W382-Y429 HydrophobicContact CB-CD2 4.38Å; W382-Y429 HydrophobicContact CE3-CE2 4.31Å; W382-Y429 PolarHBondContact O-N 2.84Å
383Y85.9Confident72.4Confident39 Ų3955 Ų5515%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-116.5124.4-174.8-62.3-96.3000109.8L381 R392 A393 P396 I399 Y420 Y429L381-Y383 VanDerWaalsContact C-N 3.29Å; L381-Y383 PolarHBondContact O-N 3.31Å; Y383-R392 CarbonylContact O-C 3.45Å; Y383-R392 WeakPolarHBondContact O-CA 3.31Å; Y383-A393 PolarHBondContact N-O 2.9Å; Y383-A393 PolarHBondContact O-N 2.92Å; Y383-P396 HydrophobicContact CD1-CB 4.34Å; Y383-P396 HydrophobicContact CE1-CB 3.62Å; Y383-P396 HydrophobicContact CE1-CG 4.29Å; Y383-P396 HydrophobicContact CE2-CB 4.21Å; Y383-P396 VanDerWaalsContact CE2-CD 3.44Å; Y383-P396 HydrophobicContact CE2-CG 4.18Å; Y383-P396 WeakPolarHBondContact OH-CD 3.38Å; Y383-P396 WeakPolarHBondContact OH-CG 3.02Å; Y383-I399 HydrophobicContact CD1-CG2 3.67Å; Y383-I399 HydrophobicContact CG-CB 4.45Å; Y383-I399 HydrophobicContact CG-CG2 3.69Å; Y383-Y420 AromaticContact CD1-CD1 3.89Å; Y383-Y420 HydrophobicContact CD1-CD1 3.89Å; Y383-Y420 HydrophobicContact CD1-CD2 4.38Å; Y383-Y420 HydrophobicContact CD1-CE1 4.28Å; Y383-Y420 AromaticContact CD1-CG 3.96Å; Y383-Y420 HydrophobicContact CD1-CG 3.96Å; Y383-Y420 HydrophobicContact CE1-CD1 4.3Å; Y383-Y420 HydrophobicContact CE1-CD2 4.04Å; Y383-Y420 AromaticContact CE1-CG 3.9Å; Y383-Y420 HydrophobicContact CE1-CG 3.9Å; Y383-Y429 VanDerWaalsContact CA-O 3.23Å; Y383-Y429 WeakPolarHBondContact CA-O 3.42Å; Y383-Y429 HydrophobicContact CE1-CG 4.31Å
384S85.1Confident73.2Confident11 Ų1159.1 Ų59.18%0.07733%0.332CS..EExtended strand (participates in β ladder)trans-110147.4173.961.30000110.8T428 Y429 Q430S384-T428 VanDerWaalsContact CB-OG1 3.28Å; S384-T428 WeakPolarHBondContact CB-OG1 3.26Å; S384-T428 PolarHBondContact OG-OG1 3.45Å; S384-Y429 PolarHBondContact N-O 2.92Å; S384-Y429 VanDerWaalsContact N-O 3.15Å; S384-Q430 WeakPolarHBondContact OG-CG 3.43Å; S384-Q430 PolarHBondContact OG-NE2 2.89Å
385C88.9Confident74.4Confident7 Ų759.6 Ų59.65%0.04733%0.33CS..  trans-80.8125.5167.3-172.30000108.9L387 C388 Y391 I399 H402 H407C385-L387 PolarHBondContact O-N 3.33Å; C385-L387 PolarHBondContact SG-N 3.36Å; C385-C388 HydrophobicContact CB-CB 3.97Å; C385-C388 PolarHBondContact SG-N 2.83Å; C385-Y391 HydrophobicContact CB-CD1 4.23Å; C385-Y391 PolarHBondContact N-O 2.94Å; C385-I399 HydrophobicContact CB-CD1 3.89Å; C385-H402 VanDerWaalsContact CB-NE2 3.29Å; C385-H402 WeakPolarHBondContact CB-NE2 3.21Å; C385-H402 PolarHBondContact SG-NE2 3.25Å; C385-H407 VanDerWaalsContact SG-CD2 3.51Å; C385-H407 PolarHBondContact SG-NE2 3.44Å
386H83.6Confident76.1Confident45 Ų4560.2 Ų60.221%0.20833%0.333CS..SBendtrans-71.9-12.7173.167-75.1000113K434H386-K434 HydrophobicContact CB-CD 4.3Å
387L85.8Confident77.7Confident55 Ų5563.2 Ų63.229%0.28834%0.337SS..SBendtrans-102.6-13.2-179.4-58.4173.8000113.3C385 H407 L409C385-L387 PolarHBondContact O-N 3.33Å; C385-L387 PolarHBondContact SG-N 3.36Å; L387-H407 WeakPolarHBondContact CB-CE1 3.34Å; L387-H407 HydrophobicContact CD1-CB 3.69Å; L387-H407 VanDerWaalsContact CD1-CG 3.48Å; L387-L409 HydrophobicContact CD1-CD1 3.96Å
388C85Confident79.4Confident35 Ų3564.4 Ų64.424%0.23635%0.345CS..  trans-120.6120.9174-75.10000109.3C385 S390 H407C385-C388 HydrophobicContact CB-CB 3.97Å; C385-C388 PolarHBondContact SG-N 2.83Å; C388-S390 PolarHBondContact O-N 3.35Å; C388-S390 VanDerWaalsContact O-N 3.13Å; C388-H407 PolarHBondContact SG-CE1 2.93Å; C388-H407 PolarHBondContact SG-NE2 3.29Å
389S76.6Confident81.1Confident138 Ų13857.9 Ų57.997%0.96530%0.303SS*.SBendtrans-59-26.8179.151.70000114
390S79.6Confident82.3Confident106 Ų10656.3 Ų56.374%0.74130%0.295SS*.SBendtrans-114.4-10.2-174.160.40000115.1C388 R392C388-S390 PolarHBondContact O-N 3.35Å; C388-S390 VanDerWaalsContact O-N 3.13Å; S390-R392 PolarHBondContact O-N 3.35Å
391Y87.3Confident83.4Confident74 Ų7461.6 Ų61.629%0.2932%0.315SS..  trans-84.9116.2-174.2-169.2-89.4000111.3C385 A393 I399 H402C385-Y391 HydrophobicContact CB-CD1 4.23Å; C385-Y391 PolarHBondContact N-O 2.94Å; Y391-A393 HydrophobicContact CE1-CB 4.09Å; Y391-I399 HydrophobicContact CD1-CD1 3.73Å; Y391-I399 HydrophobicContact CE1-CD1 3.78Å; Y391-H402 HydrophobicContact CD1-CB 4.03Å; Y391-H402 AromaticContact CD1-CD2 3.41Å; Y391-H402 VanDerWaalsContact CD1-CD2 3.41Å; Y391-H402 WeakPolarHBondContact CD1-CD2 3.19Å; Y391-H402 AromaticContact CD1-CE1 3.67Å; Y391-H402 AromaticContact CD1-CG 3.41Å; Y391-H402 VanDerWaalsContact CD1-CG 3.41Å; Y391-H402 AromaticContact CD1-ND1 3.57Å; Y391-H402 AromaticContact CD1-NE2 3.56Å; Y391-H402 AromaticContact CD2-CE1 3.83Å; Y391-H402 AromaticContact CD2-ND1 3.63Å; Y391-H402 HydrophobicContact CE1-CB 3.38Å; Y391-H402 AromaticContact CE1-CD2 3.71Å; Y391-H402 AromaticContact CE1-CG 3.31Å; Y391-H402 AromaticContact CE1-ND1 3.71Å; Y391-H402 HydrophobicContact CE2-CB 4.4Å; Y391-H402 AromaticContact CE2-ND1 3.76Å; Y391-H402 AromaticContact CG-CD2 4Å; Y391-H402 AromaticContact CG-CE1 3.42Å; Y391-H402 VanDerWaalsContact CG-CE1 3.42Å; Y391-H402 AromaticContact CG-CG 3.89Å; Y391-H402 AromaticContact CG-ND1 3.53Å; Y391-H402 AromaticContact CG-NE2 3.69Å; Y391-H402 AromaticContact CZ-CG 3.71Å; Y391-H402 AromaticContact CZ-ND1 3.79Å
392R87Confident84.1Confident79 Ų7959.6 Ų59.630%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-130.1153171.8-56174.961.2-173.2-0.4110.2N377 D379 L381 Y383 S390N377-R392 PolarHBondContact ND2-NH2 2.92Å; N377-R392 PolarHBondContact OD1-NH2 3.1Å; D379-R392 IonicContact OD1-CZ 3.83Å; D379-R392 IonicContact OD1-NH1 2.62Å; D379-R392 IonicContact OD1-NH2 3.4Å; D379-R392 PolarHBondContact OD1-NH2 3.47Å; D379-R392 IonicContact OD2-CZ 3.32Å; D379-R392 IonicContact OD2-NH1 2.66Å; D379-R392 PolarHBondContact OD2-NH1 3.33Å; D379-R392 IonicContact OD2-NH2 3.67Å; L381-R392 HydrophobicContact CB-CB 3.72Å; L381-R392 HydrophobicContact CD1-CB 3.97Å; L381-R392 HydrophobicContact CG-CB 4.42Å; L381-R392 PolarHBondContact O-NE 3.38Å; L381-R392 PolarHBondContact O-NH2 2.87Å; Y383-R392 CarbonylContact O-C 3.45Å; Y383-R392 WeakPolarHBondContact O-CA 3.31Å; S390-R392 PolarHBondContact O-N 3.35Å
393A82.8Confident84.8Confident4 Ų458.8 Ų58.83%0.03330%0.302CS..EExtended strand (participates in β ladder)trans-137.8147.3-175.900000110.9L381 W382 Y383 Y391 I399L381-A393 CarbonylContact C-O 3.38Å; W382-A393 PolarHBondContact N-O 3.28Å; Y383-A393 PolarHBondContact N-O 2.9Å; Y383-A393 PolarHBondContact O-N 2.92Å; Y391-A393 HydrophobicContact CE1-CB 4.09Å; A393-I399 HydrophobicContact CB-CB 4.01Å
394R76.5Confident85Confident141 Ų14161.9 Ų61.953%0.53232%0.316SS..SBendtrans-74.7-35.7176.6-177.6169.4-66.6-160.30.1113.1D379 G380 L381D379-R394 PolarHBondContact O-NH2 3.31Å; G380-R394 WeakPolarHBondContact O-CG 3.34Å; L381-R394 HydrophobicContact CD2-CB 4.17Å
395K77.8Confident85.2Confident105 Ų10564.8 Ų64.846%0.45734%0.336SS..SBendtrans-121146.7-170.4-56.5-176.8-178177.10111.5F397 T398 I399K395-F397 VanDerWaalsContact C-N 3.28Å; K395-F397 HydrophobicContact CB-CD1 3.75Å; K395-F397 HydrophobicContact CB-CE1 3.6Å; K395-F397 HydrophobicContact CB-CZ 4.19Å; K395-F397 HydrophobicContact CD-CD1 4.15Å; K395-F397 HydrophobicContact CD-CE1 3.21Å; K395-F397 HydrophobicContact CD-CZ 3.68Å; K395-F397 HydrophobicContact CG-CE1 4.03Å; K395-F397 PolarHBondContact O-N 2.92Å; K395-T398 PolarHBondContact O-N 2.64Å; K395-T398 PolarHBondContact O-OG1 3.48Å; K395-I399 PolarHBondContact O-N 3.36Å
396P81.8Confident85.2Confident55 Ų5568.5 Ų68.536%0.35736%0.358SS..Hα-helixtrans-61.9-32.1-177.813.7-20.7000113.3Y383 T398 I399 T400 Y420Y383-P396 HydrophobicContact CD1-CB 4.34Å; Y383-P396 HydrophobicContact CE1-CB 3.62Å; Y383-P396 HydrophobicContact CE1-CG 4.29Å; Y383-P396 HydrophobicContact CE2-CB 4.21Å; Y383-P396 VanDerWaalsContact CE2-CD 3.44Å; Y383-P396 HydrophobicContact CE2-CG 4.18Å; Y383-P396 WeakPolarHBondContact OH-CD 3.38Å; Y383-P396 WeakPolarHBondContact OH-CG 3.02Å; P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 3.12Å; P396-I399 WeakPolarHBondContact O-CG2 3.41Å; P396-T400 WeakPolarHBondContact O-CB 3.43Å; P396-T400 PolarHBondContact O-N 3.16Å; P396-T400 PolarHBondContact O-OG1 3.07Å; P396-Y420 HydrophobicContact CB-CD2 4.42Å; P396-Y420 HydrophobicContact CB-CE2 4.15Å; P396-Y420 PolarHBondContact O-OH 3Å
397F84.4Confident85.5Confident131 Ų13168.6 Ų68.658%0.57536%0.359SS*.Hα-helixtrans-68.4-31177.173.3-104.5000112.5K395 T400 H401K395-F397 VanDerWaalsContact C-N 3.28Å; K395-F397 HydrophobicContact CB-CD1 3.75Å; K395-F397 HydrophobicContact CB-CE1 3.6Å; K395-F397 HydrophobicContact CB-CZ 4.19Å; K395-F397 HydrophobicContact CD-CD1 4.15Å; K395-F397 HydrophobicContact CD-CE1 3.21Å; K395-F397 HydrophobicContact CD-CZ 3.68Å; K395-F397 HydrophobicContact CG-CE1 4.03Å; K395-F397 PolarHBondContact O-N 2.92Å; F397-T400 WeakPolarHBondContact O-CB 3.4Å; F397-T400 PolarHBondContact O-N 3.01Å; F397-H401 WeakPolarHBondContact O-CB 3.3Å; F397-H401 PolarHBondContact O-N 3.04Å
398T87.3Confident85.6Confident45 Ų4570.7 Ų70.728%0.27638%0.378SS..Hα-helixtrans-74.1-43-176.1-25.90000109.6K395 P396 T400 H401 H402K395-T398 PolarHBondContact O-N 2.64Å; K395-T398 PolarHBondContact O-OG1 3.48Å; P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 3.12Å; T398-T400 VanDerWaalsContact C-N 3.35Å; T398-H401 PolarHBondContact O-N 3.32Å; T398-H402 PolarHBondContact O-N 3.37Å
399I87.3Confident85.6Confident0 Ų070.7 Ų70.70%038%0.376CS..Hα-helixtrans-66.7-35.9170-170.168.7000111.5Y383 C385 Y391 A393 K395 P396 H401 H402 L403 Y420Y383-I399 HydrophobicContact CD1-CG2 3.67Å; Y383-I399 HydrophobicContact CG-CB 4.45Å; Y383-I399 HydrophobicContact CG-CG2 3.69Å; C385-I399 HydrophobicContact CB-CD1 3.89Å; Y391-I399 HydrophobicContact CD1-CD1 3.73Å; Y391-I399 HydrophobicContact CE1-CD1 3.78Å; A393-I399 HydrophobicContact CB-CB 4.01Å; K395-I399 PolarHBondContact O-N 3.36Å; P396-I399 WeakPolarHBondContact O-CG2 3.41Å; I399-H401 VanDerWaalsContact C-N 3.34Å; I399-H401 PolarHBondContact O-N 3.38Å; I399-H402 PolarHBondContact O-N 2.76Å; I399-L403 HydrophobicContact CG1-CD1 4.11Å; I399-L403 HydrophobicContact CG1-CG 4.27Å; I399-L403 WeakPolarHBondContact O-CB 3.41Å; I399-L403 WeakPolarHBondContact O-CG 3.34Å; I399-L403 PolarHBondContact O-N 3.05Å; I399-Y420 HydrophobicContact CB-CE1 4.48Å; I399-Y420 HydrophobicContact CG1-CE1 4.16Å; I399-Y420 HydrophobicContact CG2-CD1 4.4Å; I399-Y420 HydrophobicContact CG2-CE1 3.54Å; I399-Y420 HydrophobicContact CG2-CE2 4.4Å; I399-Y420 WeakPolarHBondContact CG2-OH 3.4Å
400T88.7Confident85.9Confident28 Ų2872.9 Ų72.917%0.17237%0.368CS..Hα-helixtrans-58.9-46.4172.8-68.30000111P396 F397 T398 L403 K404 F418 Y420P396-T400 WeakPolarHBondContact O-CB 3.43Å; P396-T400 PolarHBondContact O-N 3.16Å; P396-T400 PolarHBondContact O-OG1 3.07Å; F397-T400 WeakPolarHBondContact O-CB 3.4Å; F397-T400 PolarHBondContact O-N 3.01Å; T398-T400 VanDerWaalsContact C-N 3.35Å; T400-L403 PolarHBondContact O-N 2.75Å; T400-K404 HydrophobicContact CG2-CD 4.17Å; T400-K404 WeakPolarHBondContact O-CG 3.43Å; T400-K404 PolarHBondContact O-N 3.05Å; T400-F418 HydrophobicContact CG2-CD2 3.76Å; T400-F418 HydrophobicContact CG2-CE2 4.06Å; T400-Y420 WeakPolarHBondContact CA-OH 3.39Å; T400-Y420 PolarHBondContact N-OH 3.16Å; T400-Y420 PolarHBondContact OG1-OH 2.89Å
401H89.3Confident85.8Confident127 Ų12769 Ų6959%0.58834%0.34SS*.Hα-helixtrans-61.5-47.5177.6-178.5-80.2000110.7F397 T398 I399 L403 K404 S405F397-H401 WeakPolarHBondContact O-CB 3.3Å; F397-H401 PolarHBondContact O-N 3.04Å; T398-H401 PolarHBondContact O-N 3.32Å; I399-H401 VanDerWaalsContact C-N 3.34Å; I399-H401 PolarHBondContact O-N 3.38Å; H401-L403 PolarHBondContact O-N 3.4Å; H401-K404 PolarHBondContact O-N 3.18Å; H401-S405 WeakPolarHBondContact O-CB 3.26Å; H401-S405 PolarHBondContact O-N 3.42Å; H401-S405 PolarHBondContact O-OG 3.03Å; H401-S405 VanDerWaalsContact O-OG 3.04Å
402H90.1Very high85.3Confident9 Ų969.2 Ų69.24%0.04235%0.351CS..Hα-helixtrans-57.4-47.7175.5168.182.1000113C385 Y391 T398 I399 K404 S405 V406 H407C385-H402 VanDerWaalsContact CB-NE2 3.29Å; C385-H402 WeakPolarHBondContact CB-NE2 3.21Å; C385-H402 PolarHBondContact SG-NE2 3.25Å; Y391-H402 HydrophobicContact CD1-CB 4.03Å; Y391-H402 AromaticContact CD1-CD2 3.41Å; Y391-H402 VanDerWaalsContact CD1-CD2 3.41Å; Y391-H402 WeakPolarHBondContact CD1-CD2 3.19Å; Y391-H402 AromaticContact CD1-CE1 3.67Å; Y391-H402 AromaticContact CD1-CG 3.41Å; Y391-H402 VanDerWaalsContact CD1-CG 3.41Å; Y391-H402 AromaticContact CD1-ND1 3.57Å; Y391-H402 AromaticContact CD1-NE2 3.56Å; Y391-H402 AromaticContact CD2-CE1 3.83Å; Y391-H402 AromaticContact CD2-ND1 3.63Å; Y391-H402 HydrophobicContact CE1-CB 3.38Å; Y391-H402 AromaticContact CE1-CD2 3.71Å; Y391-H402 AromaticContact CE1-CG 3.31Å; Y391-H402 AromaticContact CE1-ND1 3.71Å; Y391-H402 HydrophobicContact CE2-CB 4.4Å; Y391-H402 AromaticContact CE2-ND1 3.76Å; Y391-H402 AromaticContact CG-CD2 4Å; Y391-H402 AromaticContact CG-CE1 3.42Å; Y391-H402 VanDerWaalsContact CG-CE1 3.42Å; Y391-H402 AromaticContact CG-CG 3.89Å; Y391-H402 AromaticContact CG-ND1 3.53Å; Y391-H402 AromaticContact CG-NE2 3.69Å; Y391-H402 AromaticContact CZ-CG 3.71Å; Y391-H402 AromaticContact CZ-ND1 3.79Å; T398-H402 PolarHBondContact O-N 3.37Å; I399-H402 PolarHBondContact O-N 2.76Å; H402-K404 VanDerWaalsContact C-N 3.27Å; H402-K404 PolarHBondContact O-N 3.32Å; H402-S405 PolarHBondContact O-N 2.81Å; H402-V406 WeakPolarHBondContact ND1-CG2 3.26Å; H402-V406 WeakPolarHBondContact O-CA 3.32Å; H402-V406 VanDerWaalsContact O-CB 3.27Å; H402-V406 WeakPolarHBondContact O-CB 3.34Å; H402-V406 PolarHBondContact O-N 3.45Å; H402-H407 AromaticContact CD2-CD2 3.87Å; H402-H407 AromaticContact CE1-NE2 3.6Å; H402-H407 AromaticContact NE2-CD2 3.42Å; H402-H407 PolarHBondContact NE2-CD2 3.23Å; H402-H407 AromaticContact NE2-NE2 3.11Å; H402-H407 PolarHBondContact NE2-NE2 2.76Å; H402-H407 VanDerWaalsContact NE2-NE2 3.11Å
403L90Very high84.7Confident0 Ų073.6 Ų73.60%038%0.38CS..Hα-helixtrans-61.6-35.3177.7-67.6168.9000111.9I399 T400 H401 H407 S408 L409 F418 Y420 L431I399-L403 HydrophobicContact CG1-CD1 4.11Å; I399-L403 HydrophobicContact CG1-CG 4.27Å; I399-L403 WeakPolarHBondContact O-CB 3.41Å; I399-L403 WeakPolarHBondContact O-CG 3.34Å; I399-L403 PolarHBondContact O-N 3.05Å; T400-L403 PolarHBondContact O-N 2.75Å; H401-L403 PolarHBondContact O-N 3.4Å; L403-H407 CarbonylContact O-C 3.39Å; L403-H407 WeakPolarHBondContact O-CB 3.4Å; L403-H407 PolarHBondContact O-N 3.08Å; L403-S408 PolarHBondContact O-N 2.87Å; L403-L409 HydrophobicContact CB-CB 4.42Å; L403-L409 HydrophobicContact CB-CD1 4.2Å; L403-L409 HydrophobicContact CD2-CD1 3.8Å; L403-L409 HydrophobicContact CG-CD1 4.47Å; L403-L409 PolarHBondContact O-N 2.98Å; L403-F418 HydrophobicContact CB-CD2 4.5Å; L403-F418 HydrophobicContact CB-CE2 3.86Å; L403-F418 HydrophobicContact CB-CZ 4.16Å; L403-F418 HydrophobicContact CD1-CD2 4.21Å; L403-F418 HydrophobicContact CD1-CE2 4.34Å; L403-Y420 HydrophobicContact CD1-CE1 4.06Å; L403-L431 HydrophobicContact CD1-CB 4.4Å; L403-L431 HydrophobicContact CD1-CD1 4.1Å
404K89.7Confident84.3Confident105 Ų10577.7 Ų77.746%0.45742%0.422SS..Hα-helixtrans-73.6-47.8174.9-72.6179179.3-172.40112.9T400 H401 H402 S408 F418T400-K404 HydrophobicContact CG2-CD 4.17Å; T400-K404 WeakPolarHBondContact O-CG 3.43Å; T400-K404 PolarHBondContact O-N 3.05Å; H401-K404 PolarHBondContact O-N 3.18Å; H402-K404 VanDerWaalsContact C-N 3.27Å; H402-K404 PolarHBondContact O-N 3.32Å; K404-S408 VanDerWaalsContact O-CA 3.26Å; K404-S408 WeakPolarHBondContact O-CA 3.34Å; K404-S408 PolarHBondContact O-N 2.86Å; K404-F418 HydrophobicContact CG-CE2 3.96Å; K404-F418 HydrophobicContact CG-CZ 4.38Å
405S90.3Very high84.1Confident71 Ų7178 Ų7850%0.49742%0.424SS..Hα-helixtrans-85.3-33.1-169.570.30000113.4H401 H402H401-S405 WeakPolarHBondContact O-CB 3.26Å; H401-S405 PolarHBondContact O-N 3.42Å; H401-S405 PolarHBondContact O-OG 3.03Å; H401-S405 VanDerWaalsContact O-OG 3.04Å; H402-S405 PolarHBondContact O-N 2.81Å
406V89Confident83.9Confident85 Ų8578.1 Ų78.152%0.51544%0.438SS..THydrogen-bonded Turntrans-98.4-39.6-176.6-175.70000111.2H402H402-V406 WeakPolarHBondContact ND1-CG2 3.26Å; H402-V406 WeakPolarHBondContact O-CA 3.32Å; H402-V406 VanDerWaalsContact O-CB 3.27Å; H402-V406 WeakPolarHBondContact O-CB 3.34Å; H402-V406 PolarHBondContact O-N 3.45Å
407H90.3Very high83.7Confident47 Ų4784.7 Ų84.722%0.21846%0.455CS..THydrogen-bonded Turntrans-106.40.8-176.8-60.2-64.9000114.4C385 L387 C388 H402 L403 L409C385-H407 VanDerWaalsContact SG-CD2 3.51Å; C385-H407 PolarHBondContact SG-NE2 3.44Å; L387-H407 WeakPolarHBondContact CB-CE1 3.34Å; L387-H407 HydrophobicContact CD1-CB 3.69Å; L387-H407 VanDerWaalsContact CD1-CG 3.48Å; C388-H407 PolarHBondContact SG-CE1 2.93Å; C388-H407 PolarHBondContact SG-NE2 3.29Å; H402-H407 AromaticContact CD2-CD2 3.87Å; H402-H407 AromaticContact CE1-NE2 3.6Å; H402-H407 AromaticContact NE2-CD2 3.42Å; H402-H407 PolarHBondContact NE2-CD2 3.23Å; H402-H407 AromaticContact NE2-NE2 3.11Å; H402-H407 PolarHBondContact NE2-NE2 2.76Å; H402-H407 VanDerWaalsContact NE2-NE2 3.11Å; L403-H407 CarbonylContact O-C 3.39Å; L403-H407 WeakPolarHBondContact O-CB 3.4Å; L403-H407 PolarHBondContact O-N 3.08Å; H407-L409 HydrophobicContact CB-CD1 4.2Å; H407-L409 HydrophobicContact CB-CG 3.93Å; H407-L409 PolarHBondContact O-N 3.3Å
408S86.7Confident83.7Confident100 Ų10079.1 Ų79.170%0.69943%0.431SS*.  trans53.125.8-179.5-58.50000114.3L403 K404L403-S408 PolarHBondContact O-N 2.87Å; K404-S408 VanDerWaalsContact O-CA 3.26Å; K404-S408 WeakPolarHBondContact O-CA 3.34Å; K404-S408 PolarHBondContact O-N 2.86Å
409L86Confident83.5Confident35 Ų3579.6 Ų79.618%0.18343%0.434CS..  trans-75.5145.6-179.8-65.1177.9000110.6L387 L403 H407 F418 L431 P435L387-L409 HydrophobicContact CD1-CD1 3.96Å; L403-L409 HydrophobicContact CB-CB 4.42Å; L403-L409 HydrophobicContact CB-CD1 4.2Å; L403-L409 HydrophobicContact CD2-CD1 3.8Å; L403-L409 HydrophobicContact CG-CD1 4.47Å; L403-L409 PolarHBondContact O-N 2.98Å; H407-L409 HydrophobicContact CB-CD1 4.2Å; H407-L409 HydrophobicContact CB-CG 3.93Å; H407-L409 PolarHBondContact O-N 3.3Å; L409-F418 HydrophobicContact CB-CE1 3.99Å; L409-F418 HydrophobicContact CB-CZ 3.66Å; L409-F418 WeakPolarHBondContact O-CZ 3.42Å; L409-L431 HydrophobicContact CD1-CD2 3.95Å; L409-P435 HydrophobicContact CD2-CG 4.39Å
410K81.9Confident83.3Confident183 Ų18381.6 Ų81.680%0.79644%0.442SS*.  trans-116.9145.8169.8-66.1-179.8-177.7175.80109.2F418K410-F418 WeakPolarHBondContact O-CE1 3.32Å
411P78.7Confident82.9Confident25 Ų2582.8 Ų82.816%0.16245%0.451CS..PPolyproline II helixtrans-53.9150.6169.9-25.735.8000111.2R415 F418P411-R415 HydrophobicContact CB-CB 4.48Å; P411-R415 VanDerWaalsContact CB-O 3.29Å; P411-R415 WeakPolarHBondContact CB-O 3.45Å; P411-F418 HydrophobicContact CB-CD1 4.35Å; P411-F418 HydrophobicContact CG-CD1 4.2Å; P411-F418 HydrophobicContact CG-CE1 4.23Å; P411-F418 HydrophobicContact CG-CG 4.42Å; P411-F418 HydrophobicContact CG-CZ 4.44Å
412P75.7Confident82.3Confident78 Ų7880.5 Ų80.551%0.50644%0.439SS..PPolyproline II helixtrans-53.8149.1174-2332.1000111.7G414 R415P412-G414 PolarHBondContact O-N 3.41Å; P412-R415 PolarHBondContact O-N 2.9Å
413D73.6Confident81.6Confident172 Ų17281.5 Ų81.592%0.9245%0.445SS*.THydrogen-bonded Turntrans-51133.5-179.3-69-32.8000111.6R415D413-R415 VanDerWaalsContact C-N 3.35Å; D413-R415 PolarHBondContact O-N 2.84Å
414G74.5Confident80.6Confident89 Ų8988.1 Ų88.192%0.91848%0.476SS*.THydrogen-bonded Turntrans83.5-6.8-176.300000116P412P412-G414 PolarHBondContact O-N 3.41Å
415R72.1Confident79.6Confident149 Ų14989.3 Ų89.356%0.56250%0.496SS*.  trans-105.1133172.5-66.3-170.1-175.3-179.26.9111.5P411 P412 D413 R417 T419P411-R415 HydrophobicContact CB-CB 4.48Å; P411-R415 VanDerWaalsContact CB-O 3.29Å; P411-R415 WeakPolarHBondContact CB-O 3.45Å; P412-R415 PolarHBondContact O-N 2.9Å; D413-R415 VanDerWaalsContact C-N 3.35Å; D413-R415 PolarHBondContact O-N 2.84Å; R415-R417 VanDerWaalsContact C-N 3.27Å; R415-R417 PolarHBondContact O-N 3.19Å; R415-T419 PolarHBondContact NH1-OG1 2.9Å
416S73.5Confident78.7Confident107 Ų10787.8 Ų87.875%0.74849%0.486SS*.SBendtrans-77.1-11.8175.159.50000113.8
417R79.4Confident77.7Confident193 Ų19387.4 Ų87.473%0.72848%0.478SS*.SBendtrans-145.1152.2-172.2-59.5-180-174.9171.71.2111.3R415R415-R417 VanDerWaalsContact C-N 3.27Å; R415-R417 PolarHBondContact O-N 3.19Å
418F84.6Confident77Confident14 Ų1485.2 Ų85.26%0.06147%0.468CS..  trans-63.8152.7168.2-67.5-59.9000111.4T400 L403 K404 L409 K410 P411 Y420 L431T400-F418 HydrophobicContact CG2-CD2 3.76Å; T400-F418 HydrophobicContact CG2-CE2 4.06Å; L403-F418 HydrophobicContact CB-CD2 4.5Å; L403-F418 HydrophobicContact CB-CE2 3.86Å; L403-F418 HydrophobicContact CB-CZ 4.16Å; L403-F418 HydrophobicContact CD1-CD2 4.21Å; L403-F418 HydrophobicContact CD1-CE2 4.34Å; K404-F418 HydrophobicContact CG-CE2 3.96Å; K404-F418 HydrophobicContact CG-CZ 4.38Å; L409-F418 HydrophobicContact CB-CE1 3.99Å; L409-F418 HydrophobicContact CB-CZ 3.66Å; L409-F418 WeakPolarHBondContact O-CZ 3.42Å; K410-F418 WeakPolarHBondContact O-CE1 3.32Å; P411-F418 HydrophobicContact CB-CD1 4.35Å; P411-F418 HydrophobicContact CG-CD1 4.2Å; P411-F418 HydrophobicContact CG-CE1 4.23Å; P411-F418 HydrophobicContact CG-CG 4.42Å; P411-F418 HydrophobicContact CG-CZ 4.44Å; F418-Y420 HydrophobicContact CB-CE2 4.01Å; F418-L431 HydrophobicContact CB-CD1 3.52Å; F418-L431 HydrophobicContact CD1-CD1 3.39Å; F418-L431 HydrophobicContact CD1-CD2 4.47Å; F418-L431 HydrophobicContact CE1-CD1 4.21Å; F418-L431 HydrophobicContact CG-CD1 3.6Å
419T81.9Confident76.8Confident55 Ų5584.4 Ų84.434%0.33745%0.45SS..  trans-108.8141.4172.4-49.70000108R415 A432R415-T419 PolarHBondContact NH1-OG1 2.9Å; T419-A432 HydrophobicContact CG2-CB 4.14Å; T419-A432 WeakPolarHBondContact O-CB 3.49Å; T419-A432 PolarHBondContact O-N 2.78Å
420Y83Confident76.7Confident42 Ų4283.6 Ų83.617%0.16545%0.446CS..EExtended strand (participates in β ladder)trans-119.5136.8-179.4-58.3-86.9000110.1Y383 P396 I399 T400 L403 F418 Q430Y383-Y420 AromaticContact CD1-CD1 3.89Å; Y383-Y420 HydrophobicContact CD1-CD1 3.89Å; Y383-Y420 HydrophobicContact CD1-CD2 4.38Å; Y383-Y420 HydrophobicContact CD1-CE1 4.28Å; Y383-Y420 AromaticContact CD1-CG 3.96Å; Y383-Y420 HydrophobicContact CD1-CG 3.96Å; Y383-Y420 HydrophobicContact CE1-CD1 4.3Å; Y383-Y420 HydrophobicContact CE1-CD2 4.04Å; Y383-Y420 AromaticContact CE1-CG 3.9Å; Y383-Y420 HydrophobicContact CE1-CG 3.9Å; P396-Y420 HydrophobicContact CB-CD2 4.42Å; P396-Y420 HydrophobicContact CB-CE2 4.15Å; P396-Y420 PolarHBondContact O-OH 3Å; I399-Y420 HydrophobicContact CB-CE1 4.48Å; I399-Y420 HydrophobicContact CG1-CE1 4.16Å; I399-Y420 HydrophobicContact CG2-CD1 4.4Å; I399-Y420 HydrophobicContact CG2-CE1 3.54Å; I399-Y420 HydrophobicContact CG2-CE2 4.4Å; I399-Y420 WeakPolarHBondContact CG2-OH 3.4Å; T400-Y420 WeakPolarHBondContact CA-OH 3.39Å; T400-Y420 PolarHBondContact N-OH 3.16Å; T400-Y420 PolarHBondContact OG1-OH 2.89Å; L403-Y420 HydrophobicContact CD1-CE1 4.06Å; F418-Y420 HydrophobicContact CB-CE2 4.01Å; Y420-Q430 CarbonylContact C-O 3.59Å; Y420-Q430 WeakPolarHBondContact CA-O 3.44Å; Y420-Q430 WeakPolarHBondContact CB-O 3.44Å
421S79.8Confident76.8Confident52 Ų5275.5 Ų75.536%0.36441%0.411SS..EExtended strand (participates in β ladder)trans-115.9142.5174.250.10000109.3D423 Y429 Q430S421-D423 PolarHBondContact O-N 3.11Å; S421-Y429 CarbonylContact O-C 3.43Å; S421-Y429 WeakPolarHBondContact O-CA 3.39Å; S421-Q430 PolarHBondContact N-O 3.25Å; S421-Q430 PolarHBondContact O-N 3.04Å
422F78.1Confident76.8Confident79 Ų7976 Ų7635%0.34642%0.417SS..EExtended strand (participates in β ladder)trans-68.8127175.2-169.9-103.9000109.5E424 Y429F422-E424 HydrophobicContact CD1-CG 4.44Å; F422-Y429 HydrophobicContact CB-CD1 4.21Å; F422-Y429 HydrophobicContact CB-CE1 4.02Å; F422-Y429 AromaticContact CD2-CD2 3.95Å; F422-Y429 HydrophobicContact CD2-CD2 3.95Å; F422-Y429 HydrophobicContact CD2-CE1 4.35Å; F422-Y429 AromaticContact CD2-CE2 3.74Å; F422-Y429 HydrophobicContact CD2-CE2 3.74Å; F422-Y429 HydrophobicContact CD2-CG 4.33Å; F422-Y429 AromaticContact CD2-CZ 3.96Å; F422-Y429 HydrophobicContact CE2-CE2 4.35Å
423D75.4Confident76.6Confident31 Ų3175.9 Ų75.917%0.16643%0.43CS..EExtended strand (participates in β ladder)trans-103.6110179.5-179.389.3000107.8S421 C425 S426 Q427 T428 Q430 K434S421-D423 PolarHBondContact O-N 3.11Å; D423-C425 VanDerWaalsContact C-N 3.29Å; D423-C425 PolarHBondContact O-N 3.03Å; D423-S426 WeakPolarHBondContact CB-OG 3.27Å; D423-S426 PolarHBondContact O-N 3.32Å; D423-S426 VanDerWaalsContact OD2-CB 3.24Å; D423-S426 WeakPolarHBondContact OD2-CB 3.45Å; D423-S426 PolarHBondContact OD2-N 3.41Å; D423-S426 PolarHBondContact OD2-OG 3.06Å; D423-Q427 WeakPolarHBondContact O-CA 3.21Å; D423-Q427 PolarHBondContact O-N 2.98Å; D423-T428 WeakPolarHBondContact CB-O 3.45Å; D423-T428 PolarHBondContact N-O 2.91Å; D423-T428 PolarHBondContact O-N 2.88Å; D423-Q430 HydrophobicContact CB-CB 4.36Å; D423-Q430 HydrophobicContact CB-CG 4.05Å; D423-K434 IonicContact OD1-NZ 2.94Å; D423-K434 PolarHBondContact OD1-NZ 3.48Å
424E67.7Low76.3Confident139 Ų13972.2 Ų72.265%0.6541%0.406SS*.THydrogen-bonded Turntrans-63.4-34.9-172.9-64.4-173.5165.200112.4F422 Q427F422-E424 HydrophobicContact CD1-CG 4.44Å; E424-Q427 PolarHBondContact O-N 3.33Å
425C70.4Confident75.5Confident129 Ų12970.5 Ų70.587%0.87238%0.379SS*.THydrogen-bonded Turntrans-64.5-47178.5-63.40000112.3D423D423-C425 VanDerWaalsContact C-N 3.29Å; D423-C425 PolarHBondContact O-N 3.03Å
426S71.4Confident74.2Confident40 Ų4069.2 Ų69.228%0.2839%0.39SS..THydrogen-bonded Turntrans-88.3-4.6179.263.90000113.8D423 T428 Q430D423-S426 WeakPolarHBondContact CB-OG 3.27Å; D423-S426 PolarHBondContact O-N 3.32Å; D423-S426 VanDerWaalsContact OD2-CB 3.24Å; D423-S426 WeakPolarHBondContact OD2-CB 3.45Å; D423-S426 PolarHBondContact OD2-N 3.41Å; D423-S426 PolarHBondContact OD2-OG 3.06Å; S426-T428 WeakPolarHBondContact CB-OG1 3.31Å; S426-T428 WeakPolarHBondContact O-CG2 3.44Å; S426-T428 PolarHBondContact O-N 2.81Å; S426-T428 VanDerWaalsContact O-N 3.12Å; S426-T428 PolarHBondContact OG-OG1 3.03Å; S426-Q430 PolarHBondContact OG-NE2 2.65Å; S426-Q430 VanDerWaalsContact OG-NE2 3.11Å
427Q67.8Low72.5Confident77 Ų7768 Ų6836%0.3639%0.386SS..THydrogen-bonded Turntrans51.731.4-173.8-66.2-82.65.700112.7S376 N377 D423 E424S376-Q427 VanDerWaalsContact CB-CD 3.46Å; S376-Q427 VanDerWaalsContact CB-OE1 3.25Å; S376-Q427 VanDerWaalsContact OG-CD 3.26Å; S376-Q427 PolarHBondContact OG-OE1 2.93Å; N377-Q427 PolarHBondContact ND2-O 3.48Å; D423-Q427 WeakPolarHBondContact O-CA 3.21Å; D423-Q427 PolarHBondContact O-N 2.98Å; E424-Q427 PolarHBondContact O-N 3.33Å
428T75.7Confident70.6Confident1 Ų163.8 Ų63.81%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-138.6159.2-175.957.50000111.4N377 L381 W382 S384 D423 S426N377-T428 WeakPolarHBondContact ND2-CG2 3.4Å; L381-T428 WeakPolarHBondContact O-CG2 3.27Å; W382-T428 CarbonylContact O-C 3.41Å; W382-T428 WeakPolarHBondContact O-CA 3.42Å; W382-T428 WeakPolarHBondContact O-CB 3.33Å; S384-T428 VanDerWaalsContact CB-OG1 3.28Å; S384-T428 WeakPolarHBondContact CB-OG1 3.26Å; S384-T428 PolarHBondContact OG-OG1 3.45Å; D423-T428 WeakPolarHBondContact CB-O 3.45Å; D423-T428 PolarHBondContact N-O 2.91Å; D423-T428 PolarHBondContact O-N 2.88Å; S426-T428 WeakPolarHBondContact CB-OG1 3.31Å; S426-T428 WeakPolarHBondContact O-CG2 3.44Å; S426-T428 PolarHBondContact O-N 2.81Å; S426-T428 VanDerWaalsContact O-N 3.12Å; S426-T428 PolarHBondContact OG-OG1 3.03Å
429Y80.8Confident68.4Low82 Ų8268.7 Ų68.732%0.32242%0.418SS..EExtended strand (participates in β ladder)trans-78117.3171.1-70.5-92000110.5W382 Y383 S384 S421 F422W382-Y429 HydrophobicContact CB-CD2 4.38Å; W382-Y429 HydrophobicContact CE3-CE2 4.31Å; W382-Y429 PolarHBondContact O-N 2.84Å; Y383-Y429 VanDerWaalsContact CA-O 3.23Å; Y383-Y429 WeakPolarHBondContact CA-O 3.42Å; Y383-Y429 HydrophobicContact CE1-CG 4.31Å; S384-Y429 PolarHBondContact N-O 2.92Å; S384-Y429 VanDerWaalsContact N-O 3.15Å; S421-Y429 CarbonylContact O-C 3.43Å; S421-Y429 WeakPolarHBondContact O-CA 3.39Å; F422-Y429 HydrophobicContact CB-CD1 4.21Å; F422-Y429 HydrophobicContact CB-CE1 4.02Å; F422-Y429 AromaticContact CD2-CD2 3.95Å; F422-Y429 HydrophobicContact CD2-CD2 3.95Å; F422-Y429 HydrophobicContact CD2-CE1 4.35Å; F422-Y429 AromaticContact CD2-CE2 3.74Å; F422-Y429 HydrophobicContact CD2-CE2 3.74Å; F422-Y429 HydrophobicContact CD2-CG 4.33Å; F422-Y429 AromaticContact CD2-CZ 3.96Å; F422-Y429 HydrophobicContact CE2-CE2 4.35Å
430Q84.5Confident66Low19 Ų1972.5 Ų72.59%0.08944%0.442CS..EExtended strand (participates in β ladder)trans-109.9167.6174.9-69.7-173.66.200111.1S384 Y420 S421 D423 S426 A432S384-Q430 WeakPolarHBondContact OG-CG 3.43Å; S384-Q430 PolarHBondContact OG-NE2 2.89Å; Y420-Q430 CarbonylContact C-O 3.59Å; Y420-Q430 WeakPolarHBondContact CA-O 3.44Å; Y420-Q430 WeakPolarHBondContact CB-O 3.44Å; S421-Q430 PolarHBondContact N-O 3.25Å; S421-Q430 PolarHBondContact O-N 3.04Å; D423-Q430 HydrophobicContact CB-CB 4.36Å; D423-Q430 HydrophobicContact CB-CG 4.05Å; S426-Q430 PolarHBondContact OG-NE2 2.65Å; S426-Q430 VanDerWaalsContact OG-NE2 3.11Å; Q430-A432 PolarHBondContact O-N 3.16Å
431L84Confident63.7Low13 Ų1377.2 Ų77.27%0.06848%0.475CS..EExtended strand (participates in β ladder)trans-59.6122.9176.7-172.571000110.2L403 L409 F418 K434L403-L431 HydrophobicContact CD1-CB 4.4Å; L403-L431 HydrophobicContact CD1-CD1 4.1Å; L409-L431 HydrophobicContact CD1-CD2 3.95Å; F418-L431 HydrophobicContact CB-CD1 3.52Å; F418-L431 HydrophobicContact CD1-CD1 3.39Å; F418-L431 HydrophobicContact CD1-CD2 4.47Å; F418-L431 HydrophobicContact CE1-CD1 4.21Å; F418-L431 HydrophobicContact CG-CD1 3.6Å; L431-K434 WeakPolarHBondContact O-CG 3.13Å
432A79.8Confident61.7Low35 Ų3585.9 Ų85.929%0.28950%0.499SS..SBendtrans-70.6135.8176.200000110.1T419 Q430T419-A432 HydrophobicContact CG2-CB 4.14Å; T419-A432 WeakPolarHBondContact O-CB 3.49Å; T419-A432 PolarHBondContact O-N 2.78Å; Q430-A432 PolarHBondContact O-N 3.16Å
433G71.4Confident59.4Low76 Ų7686.7 Ų86.778%0.78452%0.521SS*.SBendtrans71.747.1-175.100000112.7P435G433-P435 WeakPolarHBondContact O-CD 3.29Å; G433-P435 VanDerWaalsContact O-N 3.09Å
434K66.3Low57.5Low94 Ų9493.1 Ų93.141%0.40955%0.553SS.*  trans-43.6113.5179.9-60175.3-168.7-179.10109.8H386 D423 L431H386-K434 HydrophobicContact CB-CD 4.3Å; D423-K434 IonicContact OD1-NZ 2.94Å; D423-K434 PolarHBondContact OD1-NZ 3.48Å; L431-K434 WeakPolarHBondContact O-CG 3.13Å
435P57.6Low56Low54 Ų5497 Ų9735%0.35156%0.562SS.*PPolyproline II helixtrans-61.4147.4172.424.3-30.9000109.1L409 G433 A437L409-P435 HydrophobicContact CD2-CG 4.39Å; G433-P435 WeakPolarHBondContact O-CD 3.29Å; G433-P435 VanDerWaalsContact O-N 3.09Å; P435-A437 PolarHBondContact O-N 3.13Å
436P45Very low54.3Low122 Ų12299.6 Ų99.679%0.79256%0.559SS**PPolyproline II helixtrans-57138.7176.922.7-30.8000109.8
437A38.9Very low52.5Low81 Ų81105.8 Ų105.867%0.66959%0.587SS**PPolyproline II helixtrans-54.8132.1179.900000109.8P435 C439P435-A437 PolarHBondContact O-N 3.13Å; A437-C439 PolarHBondContact O-N 2.87Å
438P38Very low50.7Low104 Ų104106.4 Ų106.468%0.67561%0.606SS**PPolyproline II helixtrans-61.5125.8175.16.2-3.1000109T440P438-T440 PolarHBondContact O-N 3.48Å
439C39.3Very low48.8Very low117 Ų117112.6 Ų112.679%0.79165%0.646SS**SBendtrans-55.2109.9169.7-91.40000109A437A437-C439 PolarHBondContact O-N 2.87Å
440T31.5Very low46.6Very low136 Ų136117.4 Ų117.483%0.83467%0.669SS**  trans38.194.6158.548.20000116.2P438P438-T440 PolarHBondContact O-N 3.48Å
441V34Very low44.2Very low141 Ų141124.2 Ų124.286%0.85571%0.705SS**  trans-109.6118.8151.2-176.30000108.6
442R37.3Very low41.8Very low233 Ų233129.2 Ų129.288%0.87974%0.736SS**  trans-30.7141.1176.6-92167.3162.9175.8-5115.4I444R442-I444 PolarHBondContact O-N 2.76Å
443A30.5Very low39.9Very low96 Ų96134.5 Ų134.579%0.79376%0.764SS**  trans-43.4122.2167.300000113.1
444I36Very low38.4Very low166 Ų166139.8 Ų139.885%0.85177%0.766SS**  trans-98.999.1157.1-60.5178000106.5R442R442-I444 PolarHBondContact O-N 2.76Å
445R36.2Very low37.3Very low220 Ų220148.3 Ų148.383%0.8381%0.807SS**  trans-80.9141.9164.8-83.4-177.6171.4170.8-2.6108.9
446K34Very low36.3Very low185 Ų185153 Ų15380%0.80483%0.829SS**  trans80.4127.5167.5-52.4178.5-179.6-178.50113
447L33.6Very low35.8Very low169 Ų169154.6 Ų154.689%0.88583%0.831SS**  -151.2127.856-83.4148.3000111.9
448A30.2Very low35.6Very low91 Ų91158.7 Ų158.775%0.75284%0.84SS**PPolyproline II helixtrans-80.1133.2163.400000109.3
449P36.7Very low35.5Very low130 Ų130161.9 Ų161.984%0.84485%0.85SS**PPolyproline II helixtrans-78.3120.2162.32.814.6000108.6
450K34.5Very low35.3Very low184 Ų184164.8 Ų164.880%0.885%0.854SS**PPolyproline II helixtrans-83.6165.9163.7-79.3-173.1173-177.40109.8
451L32.7Very low35.5Very low161 Ų161166.7 Ų166.784%0.84386%0.855SS**  trans90.4133.2158.6-46.2175.7000113.2
452V33.9Very low35.6Very low118 Ų118168.5 Ų168.572%0.71586%0.855SS**  cis-154.5137.525.5176.60000108.2K454V452-K454 HydrophobicContact CG1-CG 4.39Å
453V40.5Very low35.5Very low146 Ų146163.5 Ų163.589%0.88585%0.853SS**  trans-122.2122.9150.6179.30000106.7
454K39.1Very low35.9Very low188 Ų188169.2 Ų169.282%0.81786%0.858SS**  trans-69.2129.5178.7-71.2175.7172.2-179.30110.7V452V452-K454 HydrophobicContact CG1-CG 4.39Å
455Q43.4Very low35.9Very low272 Ų272169.5 Ų169.5100%1.27186%0.859SS**  -139.10128.1-88-172.1-11.100107.7

Retrieved 455 of 455 residues in 259.2 ms (Link to these results)

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