Q2KMJ3_SCHMA Loading...

Secretory glycoprotein k5

AlphaFold DB , UniProt , Accession Q2KMJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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
1M49Very low62.4Low119 Ų11971.5 Ų71.559%0.58636%0.361SS*.  0-83.30-82.5-155.7-63.600113.7Q3 E4 Y5 K231M1-Q3 PolarHBondContact O-N 2.95Å; M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.82Å; M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 PolarHBondContact O-N 3.12Å; M1-K231 PolarHBondContact SD-NZ 2.82Å
2L47.6Very low63.4Low122 Ų12265.6 Ų65.664%0.63933%0.331SS*.Hα-helixtrans-58.4-38.3-175.5-126.1124.3000112N6L2-N6 WeakPolarHBondContact O-CB 3.27Å; L2-N6 PolarHBondContact O-N 3.11Å; L2-N6 PolarHBondContact O-ND2 3.47Å; L2-N6 PolarHBondContact O-OD1 3.4Å
3Q53.6Low63.8Low160 Ų16063.4 Ų63.475%0.74832%0.323SS*.Hα-helixtrans-63.7-42.8172.5-87.9179.7-2200114.2M1 N6 L7M1-Q3 PolarHBondContact O-N 2.95Å; Q3-N6 WeakPolarHBondContact O-CB 3.39Å; Q3-N6 PolarHBondContact O-N 2.84Å; Q3-L7 WeakPolarHBondContact O-CG 3.32Å; Q3-L7 PolarHBondContact O-N 3Å
4E55Low64.1Low84 Ų8463.4 Ų63.439%0.39332%0.323SS..Hα-helixtrans-70.2-42.5-179.1-66.8155.1151.600111.2M1 N6 L7 L8M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 PolarHBondContact O-N 2.82Å; E4-N6 VanDerWaalsContact C-N 3.32Å; E4-L7 PolarHBondContact O-N 3.12Å; E4-L8 PolarHBondContact O-N 2.96Å
5Y60.8Low64.6Low17 Ų1759.2 Ų59.27%0.06730%0.302CS..Hα-helixtrans-55.7-50.5168.3-87.3-77.8000109.8M1 L7 L8 I9 L54 M57 A58 F224M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 PolarHBondContact O-N 3.12Å; Y5-L7 VanDerWaalsContact C-N 3.32Å; Y5-L7 PolarHBondContact O-N 2.85Å; Y5-L8 PolarHBondContact O-N 3.34Å; Y5-I9 HydrophobicContact CD1-CD1 4.35Å; Y5-I9 WeakPolarHBondContact O-CB 3.5Å; Y5-I9 WeakPolarHBondContact O-CD1 3.22Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.44Å; Y5-L54 HydrophobicContact CD1-CD2 4.45Å; Y5-L54 HydrophobicContact CE1-CD2 4.33Å; Y5-M57 HydrophobicContact CE1-CB 3.88Å; Y5-A58 HydrophobicContact CD1-CB 3.81Å; Y5-A58 HydrophobicContact CD2-CB 4.49Å; Y5-A58 HydrophobicContact CE1-CB 4.41Å; Y5-A58 HydrophobicContact CG-CB 3.86Å; Y5-F224 AromaticContact CD1-CE1 3.91Å; Y5-F224 HydrophobicContact CD1-CE1 3.91Å; Y5-F224 AromaticContact CD1-CZ 3.81Å; Y5-F224 HydrophobicContact CD1-CZ 3.81Å; Y5-F224 AromaticContact CD2-CZ 3.98Å; Y5-F224 HydrophobicContact CD2-CZ 3.98Å; Y5-F224 AromaticContact CE1-CE1 3.36Å; Y5-F224 HydrophobicContact CE1-CE1 3.36Å; Y5-F224 AromaticContact CE1-CZ 3.53Å; Y5-F224 HydrophobicContact CE1-CZ 3.53Å; Y5-F224 HydrophobicContact CE2-CE1 4.28Å; Y5-F224 AromaticContact CE2-CZ 3.7Å; Y5-F224 HydrophobicContact CE2-CZ 3.7Å; Y5-F224 HydrophobicContact CG-CZ 4.02Å; Y5-F224 AromaticContact CZ-CE1 3.56Å; Y5-F224 AromaticContact CZ-CZ 3.46Å; Y5-F224 VanDerWaalsContact CZ-CZ 3.46Å
6N63.7Low64.6Low68 Ų6855.5 Ų55.536%0.36428%0.283SS..Hα-helixtrans-58.2-42-179.7-73.6-12.5000112.1L2 Q3 E4 N10L2-N6 WeakPolarHBondContact O-CB 3.27Å; L2-N6 PolarHBondContact O-N 3.11Å; L2-N6 PolarHBondContact O-ND2 3.47Å; L2-N6 PolarHBondContact O-OD1 3.4Å; Q3-N6 WeakPolarHBondContact O-CB 3.39Å; Q3-N6 PolarHBondContact O-N 2.84Å; E4-N6 VanDerWaalsContact C-N 3.32Å; N6-N10 WeakPolarHBondContact O-CB 3.41Å; N6-N10 PolarHBondContact O-N 2.94Å; N6-N10 PolarHBondContact O-ND2 2.77Å; N6-N10 PolarHBondContact O-OD1 2.93Å
7L69.8Low64.6Low107 Ų10754.4 Ų54.456%0.5628%0.281SS*.Hα-helixtrans-63.9-47.7177.8-73.8172.3000111.9Q3 E4 Y5 N10 G11Q3-L7 WeakPolarHBondContact O-CG 3.32Å; Q3-L7 PolarHBondContact O-N 3Å; E4-L7 PolarHBondContact O-N 3.12Å; Y5-L7 VanDerWaalsContact C-N 3.32Å; Y5-L7 PolarHBondContact O-N 2.85Å; L7-N10 PolarHBondContact O-N 3.19Å; L7-G11 PolarHBondContact O-N 2.88Å
8L74.3Confident64.6Low1 Ų152 Ų521%0.00527%0.269CS..Hα-helixtrans-66.7-46.5179.1-173.359.9000111.1E4 Y5 N10 G11 V12 L54 T220 V221 F224 F250E4-L8 PolarHBondContact O-N 2.96Å; Y5-L8 PolarHBondContact O-N 3.34Å; L8-N10 VanDerWaalsContact C-N 3.31Å; L8-N10 PolarHBondContact O-N 3.46Å; L8-G11 PolarHBondContact O-N 3.21Å; L8-G11 VanDerWaalsContact O-N 3.1Å; L8-V12 HydrophobicContact CD1-CG2 4.4Å; L8-V12 WeakPolarHBondContact O-CG2 3.39Å; L8-V12 PolarHBondContact O-N 2.93Å; L8-L54 HydrophobicContact CB-CD1 4.48Å; L8-L54 HydrophobicContact CD2-CD1 3.71Å; L8-L54 HydrophobicContact CD2-CD2 3.88Å; L8-L54 HydrophobicContact CD2-CG 4.47Å; L8-L54 HydrophobicContact CG-CD1 3.68Å; L8-T220 HydrophobicContact CD1-CG2 3.59Å; L8-V221 HydrophobicContact CD1-CG2 4.32Å; L8-V221 HydrophobicContact CD2-CG2 4.21Å; L8-F224 HydrophobicContact CD2-CB 3.91Å; L8-F224 HydrophobicContact CD2-CD1 4.03Å; L8-F224 HydrophobicContact CD2-CD2 4.3Å; L8-F224 HydrophobicContact CD2-CG 3.81Å; L8-F250 HydrophobicContact CD1-CD1 4.21Å; L8-F250 HydrophobicContact CD1-CE1 4.06Å
9I70Confident64.4Low9 Ų949.3 Ų49.35%0.04626%0.255CS..Hα-helixtrans-55.4-46174.7-71.2167.9000110.4Y5 V12 T13 H51 L54 L55 A58Y5-I9 HydrophobicContact CD1-CD1 4.35Å; Y5-I9 WeakPolarHBondContact O-CB 3.5Å; Y5-I9 WeakPolarHBondContact O-CD1 3.22Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.44Å; I9-V12 PolarHBondContact O-N 3.39Å; I9-T13 VanDerWaalsContact O-CB 3.28Å; I9-T13 WeakPolarHBondContact O-CB 3.24Å; I9-T13 PolarHBondContact O-N 3.23Å; I9-T13 PolarHBondContact O-OG1 3.43Å; I9-H51 VanDerWaalsContact CG2-NE2 3.32Å; I9-H51 WeakPolarHBondContact CG2-NE2 3.34Å; I9-H51 PolarHBondContact O-CD2 3.23Å; I9-H51 VanDerWaalsContact O-CD2 3.26Å; I9-L54 HydrophobicContact CD1-CB 4.24Å; I9-L54 HydrophobicContact CG1-CB 3.63Å; I9-L54 HydrophobicContact CG1-CD1 4.46Å; I9-L55 HydrophobicContact CD1-CD2 4.2Å; I9-L55 HydrophobicContact CD1-CG 4.48Å; I9-L55 HydrophobicContact CG2-CD2 3.82Å; I9-L55 HydrophobicContact CG2-CG 4.11Å; I9-A58 HydrophobicContact CD1-CB 3.88Å
10N70.2Confident64Low95 Ų9546.9 Ų46.951%0.50824%0.243SC..Hα-helixtrans-65.8-39.3177.3-70.8-19.1000111.8N6 L7 L8 T13 L14N6-N10 WeakPolarHBondContact O-CB 3.41Å; N6-N10 PolarHBondContact O-N 2.94Å; N6-N10 PolarHBondContact O-ND2 2.77Å; N6-N10 PolarHBondContact O-OD1 2.93Å; L7-N10 PolarHBondContact O-N 3.19Å; L8-N10 VanDerWaalsContact C-N 3.31Å; L8-N10 PolarHBondContact O-N 3.46Å; N10-T13 WeakPolarHBondContact O-CB 3.42Å; N10-T13 PolarHBondContact O-N 3.15Å; N10-L14 VanDerWaalsContact O-CB 3.31Å; N10-L14 WeakPolarHBondContact O-CB 3.43Å; N10-L14 PolarHBondContact O-N 3.39Å
11G72.8Confident63.4Low5 Ų546.1 Ų46.15%0.05224%0.239CC..Hα-helixtrans-62.8-46.4175.800000112.1L7 L8 L14 L15 L254L7-G11 PolarHBondContact O-N 2.88Å; L8-G11 PolarHBondContact O-N 3.21Å; L8-G11 VanDerWaalsContact O-N 3.1Å; G11-L14 PolarHBondContact O-N 2.95Å; G11-L15 PolarHBondContact O-N 3.34Å; G11-L254 VanDerWaalsContact CA-CD1 3.48Å
12V74.3Confident63.5Low0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-68.4-39175.5-170.90000110.9L8 I9 L14 L15 I16 N47 I50 H51 L54 F250L8-V12 HydrophobicContact CD1-CG2 4.4Å; L8-V12 WeakPolarHBondContact O-CG2 3.39Å; L8-V12 PolarHBondContact O-N 2.93Å; I9-V12 PolarHBondContact O-N 3.39Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.96Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.04Å; V12-I16 HydrophobicContact CG1-CD1 3.91Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CD1 3.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.5Å; V12-I16 PolarHBondContact O-N 2.91Å; V12-N47 HydrophobicContact CG1-CB 4.43Å; V12-N47 WeakPolarHBondContact CG1-O 3.48Å; V12-I50 HydrophobicContact CG1-CG2 4.06Å; V12-I50 HydrophobicContact CG2-CG2 3.98Å; V12-H51 HydrophobicContact CB-CB 4.25Å; V12-H51 HydrophobicContact CG1-CB 3.69Å; V12-L54 HydrophobicContact CG2-CD1 4.2Å; V12-F250 HydrophobicContact CG2-CE1 4.42Å; V12-F250 HydrophobicContact CG2-CZ 4.39Å
13T68.3Low63.4Low37 Ų3734.9 Ų34.923%0.22718%0.182CC..Hα-helixtrans-55-46.7172.4-65.90000110.9I9 N10 I16 S17 H51 Y154I9-T13 VanDerWaalsContact O-CB 3.28Å; I9-T13 WeakPolarHBondContact O-CB 3.24Å; I9-T13 PolarHBondContact O-N 3.23Å; I9-T13 PolarHBondContact O-OG1 3.43Å; N10-T13 WeakPolarHBondContact O-CB 3.42Å; N10-T13 PolarHBondContact O-N 3.15Å; T13-I16 PolarHBondContact O-N 3.42Å; T13-S17 WeakPolarHBondContact O-CB 3.38Å; T13-S17 PolarHBondContact O-N 3.4Å; T13-S17 PolarHBondContact O-OG 3.35Å; T13-H51 PolarHBondContact OG1-CD2 2.72Å; T13-H51 PolarHBondContact OG1-NE2 3.29Å; T13-Y154 HydrophobicContact CG2-CE2 4.18Å
14L67.9Low63Low64 Ų6428.1 Ų28.134%0.33515%0.15SC..Hα-helixtrans-64.9-45.1178.6-178.662.9000110.4N10 G11 V12 I16 S17 L18 L254N10-L14 VanDerWaalsContact O-CB 3.31Å; N10-L14 WeakPolarHBondContact O-CB 3.43Å; N10-L14 PolarHBondContact O-N 3.39Å; G11-L14 PolarHBondContact O-N 2.95Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 2.96Å; L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 PolarHBondContact O-N 2.78Å; L14-S17 PolarHBondContact O-N 2.87Å; L14-L18 HydrophobicContact CD1-CD1 3.99Å; L14-L18 HydrophobicContact CD1-CD2 4.44Å; L14-L18 HydrophobicContact CD1-CG 3.97Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 3.77Å; L14-L18 HydrophobicContact CG-CG 4.2Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 2.93Å; L14-L254 HydrophobicContact CD2-CB 4.44Å
15L71.6Confident62.2Low0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-55.8-45.9175.3-176.158.8000111.9G11 V12 S19 N47 A213 E214 C217 F250 L254 L257G11-L15 PolarHBondContact O-N 3.34Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.04Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.3Å; L15-S19 PolarHBondContact O-OG 2.94Å; L15-N47 WeakPolarHBondContact CD2-ND2 3.26Å; L15-A213 HydrophobicContact CD1-CB 3.77Å; L15-E214 HydrophobicContact CD1-CG 4.31Å; L15-E214 HydrophobicContact CD2-CG 4.18Å; L15-C217 HydrophobicContact CD2-CB 3.68Å; L15-F250 HydrophobicContact CD2-CE2 4.25Å; L15-L254 HydrophobicContact CB-CD2 3.87Å; L15-L254 HydrophobicContact CD1-CD2 4.23Å; L15-L257 HydrophobicContact CD1-CD2 3.55Å
16I65.4Low61.4Low0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-69-42.2-179.8-57.6157.8000110.7V12 T13 L14 L18 S19 G20 Y44 N47 I48 H51 Y154V12-I16 HydrophobicContact CG1-CD1 3.91Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CD1 3.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.5Å; V12-I16 PolarHBondContact O-N 2.91Å; T13-I16 PolarHBondContact O-N 3.42Å; L14-I16 VanDerWaalsContact C-N 3.31Å; L14-I16 PolarHBondContact O-N 2.78Å; I16-L18 PolarHBondContact O-N 3.08Å; I16-S19 WeakPolarHBondContact O-CB 3.5Å; I16-S19 PolarHBondContact O-N 3.5Å; I16-G20 PolarHBondContact O-N 2.95Å; I16-Y44 HydrophobicContact CB-CE2 4.45Å; I16-Y44 HydrophobicContact CG2-CD2 4.31Å; I16-Y44 HydrophobicContact CG2-CE1 4.47Å; I16-Y44 HydrophobicContact CG2-CE2 3.38Å; I16-Y44 VanDerWaalsContact CG2-CZ 3.45Å; I16-Y44 WeakPolarHBondContact CG2-OH 3.42Å; I16-N47 HydrophobicContact CG1-CB 4.02Å; I16-I48 HydrophobicContact CD1-CG1 4.02Å; I16-I48 HydrophobicContact CG1-CG1 4.28Å; I16-I48 HydrophobicContact CG2-CD1 4.33Å; I16-I48 HydrophobicContact CG2-CG1 3.9Å; I16-H51 HydrophobicContact CD1-CB 3.6Å; I16-Y154 WeakPolarHBondContact CB-OH 3.43Å; I16-Y154 HydrophobicContact CD1-CE2 4.46Å; I16-Y154 WeakPolarHBondContact CG2-OH 3.5Å
17S63.5Low60.1Low36 Ų3627.6 Ų27.625%0.25216%0.162SC..Hα-helixtrans-63.1-42.3177.6-57.80000111.7T13 L14 G20T13-S17 WeakPolarHBondContact O-CB 3.38Å; T13-S17 PolarHBondContact O-N 3.4Å; T13-S17 PolarHBondContact O-OG 3.35Å; L14-S17 PolarHBondContact O-N 2.87Å; S17-G20 PolarHBondContact O-N 3.03Å
18L64.3Low59Low12 Ų1226 Ų266%0.06316%0.158CC..Hα-helixtrans-65.1-41.4174-69.2173.1000110.6L14 I16 G20 L21 I22 L257 K258 V261L14-L18 HydrophobicContact CD1-CD1 3.99Å; L14-L18 HydrophobicContact CD1-CD2 4.44Å; L14-L18 HydrophobicContact CD1-CG 3.97Å; L14-L18 HydrophobicContact CD2-CD1 4.44Å; L14-L18 HydrophobicContact CG-CD1 3.77Å; L14-L18 HydrophobicContact CG-CG 4.2Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 WeakPolarHBondContact O-CG 3.4Å; L14-L18 PolarHBondContact O-N 2.93Å; I16-L18 PolarHBondContact O-N 3.08Å; L18-G20 PolarHBondContact O-N 3Å; L18-L21 PolarHBondContact O-N 3.33Å; L18-I22 WeakPolarHBondContact O-CD1 3.49Å; L18-I22 WeakPolarHBondContact O-CG1 3.21Å; L18-I22 PolarHBondContact O-N 3.44Å; L18-L257 HydrophobicContact CB-CD2 4.16Å; L18-L257 HydrophobicContact CB-CG 4.41Å; L18-L257 HydrophobicContact CD1-CB 4.37Å; L18-L257 HydrophobicContact CD1-CD2 3.97Å; L18-L257 HydrophobicContact CD1-CG 3.93Å; L18-K258 HydrophobicContact CD1-CB 4.08Å; L18-K258 HydrophobicContact CD2-CB 4.44Å; L18-K258 HydrophobicContact CD2-CG 4.49Å; L18-V261 HydrophobicContact CB-CG2 4.16Å; L18-V261 HydrophobicContact CD2-CB 3.86Å; L18-V261 HydrophobicContact CD2-CG1 3.92Å; L18-V261 HydrophobicContact CD2-CG2 3.87Å
19S61.4Low57.3Low0 Ų031.6 Ų31.60%019%0.193CC..Hα-helixtrans-60.7-29.1175.5-59.70000112.6L15 I16 I22 C23L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.3Å; L15-S19 PolarHBondContact O-OG 2.94Å; I16-S19 WeakPolarHBondContact O-CB 3.5Å; I16-S19 PolarHBondContact O-N 3.5Å; S19-I22 WeakPolarHBondContact O-CB 3.32Å; S19-I22 PolarHBondContact O-N 2.97Å; S19-C23 PolarHBondContact O-N 3.26Å
20G56.4Low56.2Low1 Ų137.1 Ų37.11%0.0122%0.222CC..Hα-helixtrans-62.1-49.5174.800000113I16 S17 L18 I22 E291I16-G20 PolarHBondContact O-N 2.95Å; S17-G20 PolarHBondContact O-N 3.03Å; L18-G20 PolarHBondContact O-N 3Å; G20-I22 PolarHBondContact O-N 3.32Å; G20-I22 VanDerWaalsContact O-N 3.09Å; G20-E291 VanDerWaalsContact C-OE2 3.24Å; G20-E291 VanDerWaalsContact CA-CG 3.44Å; G20-E291 WeakPolarHBondContact CA-OE1 3.31Å; G20-E291 WeakPolarHBondContact CA-OE2 3.27Å; G20-E291 WeakPolarHBondContact O-CG 3.42Å
21L52.1Low54.8Low31 Ų3140 Ų4016%0.16224%0.238CC..Hα-helixtrans-66.1-12176.1-65.7164.4000113.6L18 E24 R162 L165 V261L18-L21 PolarHBondContact O-N 3.33Å; L21-E24 VanDerWaalsContact O-CG 3.32Å; L21-E24 WeakPolarHBondContact O-CG 3.4Å; L21-R162 VanDerWaalsContact CD2-CD 3.42Å; L21-L165 HydrophobicContact CD2-CD2 3.86Å; L21-V261 HydrophobicContact CB-CG1 3.94Å; L21-V261 HydrophobicContact CD1-CG1 3.72Å; L21-V261 HydrophobicContact CG-CG1 4.48Å
22I50.1Low53.4Low5 Ų547.1 Ų47.13%0.02627%0.27CS..Hα-helixtrans-96.2-31.9-169.1-77.2169.9000112.8L18 S19 G20 E24 A25 M206 R210 L257 V261L18-I22 WeakPolarHBondContact O-CD1 3.49Å; L18-I22 WeakPolarHBondContact O-CG1 3.21Å; L18-I22 PolarHBondContact O-N 3.44Å; S19-I22 WeakPolarHBondContact O-CB 3.32Å; S19-I22 PolarHBondContact O-N 2.97Å; G20-I22 PolarHBondContact O-N 3.32Å; G20-I22 VanDerWaalsContact O-N 3.09Å; I22-E24 PolarHBondContact O-N 2.78Å; I22-A25 WeakPolarHBondContact O-CB 3.45Å; I22-M206 HydrophobicContact CB-CE 3.85Å; I22-M206 HydrophobicContact CB-SD 3.83Å; I22-M206 HydrophobicContact CD1-CE 4.47Å; I22-M206 HydrophobicContact CD1-CG 3.85Å; I22-M206 HydrophobicContact CD1-SD 3.4Å; I22-M206 WeakPolarHBondContact CD1-SD 2.73Å; I22-M206 HydrophobicContact CG1-CE 3.74Å; I22-M206 HydrophobicContact CG1-CG 3.84Å; I22-M206 HydrophobicContact CG1-SD 3.32Å; I22-M206 WeakPolarHBondContact CG1-SD 3.46Å; I22-M206 HydrophobicContact CG2-CE 3.35Å; I22-M206 HydrophobicContact CG2-SD 3.3Å; I22-M206 WeakPolarHBondContact CG2-SD 3.35Å; I22-R210 HydrophobicContact CD1-CB 4.45Å; I22-L257 HydrophobicContact CD1-CD1 3.89Å; I22-V261 HydrophobicContact CD1-CG2 3.59Å; I22-V261 HydrophobicContact CG1-CG2 3.75Å
23C46.1Very low51.6Low1 Ų149 Ų491%0.00728%0.279CS..G310 helixtrans-63.7-13.8-178.6-68.90000112.4S19 A25 E290 E291S19-C23 PolarHBondContact O-N 3.26Å; C23-A25 PolarHBondContact O-N 2.87Å; C23-E290 HydrophobicContact CB-CB 4.36Å; C23-E290 WeakPolarHBondContact CB-O 3.22Å; C23-E290 VanDerWaalsContact O-CB 3.24Å; C23-E290 WeakPolarHBondContact O-CB 3.43Å; C23-E291 HydrophobicContact CB-CB 3.99Å; C23-E291 HydrophobicContact CB-CG 4.22Å
24E44.1Very low50.1Low17 Ų1752.9 Ų52.98%0.07929%0.294CS..G310 helixtrans-58.70.8180-58.2-155.711100118.7L21 I22 R162 R268 A287L21-E24 VanDerWaalsContact O-CG 3.32Å; L21-E24 WeakPolarHBondContact O-CG 3.4Å; I22-E24 PolarHBondContact O-N 2.78Å; E24-R162 IonicContact OE1-CZ 3.16Å; E24-R162 IonicContact OE1-NE 2.75Å; E24-R162 IonicContact OE1-NH1 2.9Å; E24-R162 PolarHBondContact OE1-NH1 3.4Å; E24-R162 VanDerWaalsContact OE1-NH1 3.1Å; E24-R162 IonicContact OE1-NH2 3.31Å; E24-R162 PolarHBondContact OE1-NH2 3.36Å; E24-R268 IonicContact OE1-CZ 3.22Å; E24-R268 IonicContact OE1-NH1 3.16Å; E24-R268 PolarHBondContact OE1-NH1 3.07Å; E24-R268 IonicContact OE1-NH2 3.89Å; E24-R268 PolarHBondContact OE1-NH2 3.24Å; E24-R268 IonicContact OE2-CZ 2.77Å; E24-R268 IonicContact OE2-NE 2.91Å; E24-R268 IonicContact OE2-NH1 3.37Å; E24-R268 PolarHBondContact OE2-NH1 3.26Å; E24-R268 IonicContact OE2-NH2 3.44Å; E24-A287 VanDerWaalsContact CA-CA 3.48Å; E24-A287 WeakPolarHBondContact CA-O 3.36Å; E24-A287 HydrophobicContact CB-CB 3.37Å; E24-A287 HydrophobicContact CG-CB 3.61Å; E24-A287 WeakPolarHBondContact OE1-CB 3.26Å
25A40.1Very low48.7Very low11 Ų1153.3 Ų53.39%0.09131%0.307CS..G310 helixtrans-1214.9-152.800000113.9I22 C23 Q203 E290I22-A25 WeakPolarHBondContact O-CB 3.45Å; C23-A25 PolarHBondContact O-N 2.87Å; A25-Q203 HydrophobicContact CB-CB 3.97Å; A25-Q203 HydrophobicContact CB-CG 3.38Å; A25-Q203 VanDerWaalsContact CB-NE2 3.25Å; A25-Q203 PolarHBondContact O-OE1 2.71Å; A25-E290 PolarHBondContact N-OE2 3.21Å
26Q43.9Very low47.1Very low23 Ų2356.1 Ų56.111%0.10732%0.324CS..  trans-120.878.8-168.8-61.6-170.94.100110.4P28 E290 H294Q26-P28 WeakPolarHBondContact O-CD 3.26Å; Q26-P28 WeakPolarHBondContact O-CG 3.47Å; Q26-E290 WeakPolarHBondContact CA-OE2 3.23Å; Q26-E290 PolarHBondContact N-OE2 3.49Å; Q26-E290 VanDerWaalsContact O-CD 3.25Å; Q26-H294 PolarHBondContact OE1-NE2 3.44Å
27S36.7Very low45.8Very low124 Ų12457.1 Ų57.187%0.86733%0.329SS*.  trans-78.3108.5156.4-162.20000108
28P45.1Very low45.2Very low74 Ų7458 Ų5848%0.48134%0.335SS..  trans-109.6152.5-170.316.17.4000112.6Q26Q26-P28 WeakPolarHBondContact O-CD 3.26Å; Q26-P28 WeakPolarHBondContact O-CG 3.47Å
29T39.6Very low44.7Very low119 Ų11963.7 Ų63.773%0.7336%0.362SS*.  trans-87.9145.4163.444.40000110.3D31T29-D31 PolarHBondContact O-N 2.84Å; T29-D31 VanDerWaalsContact O-N 3.07Å
30N45.6Very low44.3Very low125 Ų12565.8 Ų65.867%0.66837%0.37SS*.THydrogen-bonded Turntrans-57.4-22.1-153.2-79.9-9.1000119.8M33N30-M33 WeakPolarHBondContact O-CB 3.3Å
31D41.4Very low44.1Very low156 Ų15665.9 Ų65.983%0.83437%0.371SS*.THydrogen-bonded Turntrans-100.7-29.4-165.3-67.4-27.5000114.9T29 M33T29-D31 PolarHBondContact O-N 2.84Å; T29-D31 VanDerWaalsContact O-N 3.07Å; D31-M33 PolarHBondContact O-N 3.28Å
32E44.7Very low44.4Very low154 Ų15472.5 Ų72.572%0.7239%0.394SS*.SBendtrans-75.8-6.5170.2-70.8-176.3160.800112.4H34 T36E32-H34 PolarHBondContact O-N 3.31Å; E32-T36 PolarHBondContact O-N 3.04Å; E32-T36 PolarHBondContact O-OG1 3.16Å
33M36.3Very low44.8Very low40 Ų4073.1 Ų73.120%0.19740%0.397CS..Hα-helixtrans-52.3-50.3-177.4-162.2179.483.700112.2N30 D31 I37 Y299N30-M33 WeakPolarHBondContact O-CB 3.3Å; D31-M33 PolarHBondContact O-N 3.28Å; M33-I37 HydrophobicContact CB-CD1 4.42Å; M33-I37 HydrophobicContact CG-CD1 3.56Å; M33-I37 WeakPolarHBondContact O-CB 2.86Å; M33-I37 VanDerWaalsContact O-CD1 3.31Å; M33-I37 WeakPolarHBondContact O-CD1 3.42Å; M33-I37 WeakPolarHBondContact O-CG1 2.88Å; M33-I37 PolarHBondContact O-N 3.49Å; M33-Y299 HydrophobicContact CE-CD1 3.93Å; M33-Y299 HydrophobicContact CE-CE1 3.17Å; M33-Y299 HydrophobicContact CG-CE1 4.34Å; M33-Y299 WeakPolarHBondContact CG-OH 3.07Å; M33-Y299 HydrophobicContact SD-CE1 3.92Å
34H35.1Very low45.5Very low118 Ų11873.2 Ų73.255%0.54640%0.397SS..Hα-helixtrans-77-34.1-170.2-74.3-59000115E32 S38 Y299E32-H34 PolarHBondContact O-N 3.31Å; H34-S38 WeakPolarHBondContact O-CB 3.35Å; H34-S38 PolarHBondContact O-N 2.81Å; H34-Y299 AromaticContact ND1-CE2 3.92Å
35A38.7Very low46.2Very low73 Ų7374.8 Ų74.860%0.60341%0.405SS*.Hα-helixtrans-77.2-48.4-176.400000111.4E39A35-E39 PolarHBondContact O-N 3.46Å
36T39.1Very low47.4Very low59 Ų5976.3 Ų76.336%0.36241%0.414SS..Hα-helixtrans-75.5-40.4-172.8-45.60000112E32 S38 E39 Y40E32-T36 PolarHBondContact O-N 3.04Å; E32-T36 PolarHBondContact O-OG1 3.16Å; T36-S38 VanDerWaalsContact C-N 3.33Å; T36-S38 PolarHBondContact O-N 2.95Å; T36-E39 PolarHBondContact O-N 3.01Å; T36-Y40 HydrophobicContact CG2-CD2 3.77Å; T36-Y40 HydrophobicContact CG2-CE2 3.62Å; T36-Y40 WeakPolarHBondContact O-CD2 2.99Å; T36-Y40 PolarHBondContact O-N 3.4Å
37I38.4Very low48.4Very low21 Ų2175.2 Ų75.211%0.10841%0.409CS..Hα-helixtrans-65.2-39.6176.2-65172.5000110.4M33 E39 G41 Y299M33-I37 HydrophobicContact CB-CD1 4.42Å; M33-I37 HydrophobicContact CG-CD1 3.56Å; M33-I37 WeakPolarHBondContact O-CB 2.86Å; M33-I37 VanDerWaalsContact O-CD1 3.31Å; M33-I37 WeakPolarHBondContact O-CD1 3.42Å; M33-I37 WeakPolarHBondContact O-CG1 2.88Å; M33-I37 PolarHBondContact O-N 3.49Å; I37-E39 VanDerWaalsContact C-N 3.33Å; I37-E39 PolarHBondContact O-N 2.9Å; I37-G41 PolarHBondContact O-N 2Å; I37-Y299 WeakPolarHBondContact CD1-OH 3.18Å
38S49.4Very low49.7Very low54 Ų5469.5 Ų69.538%0.37837%0.368SS..Hα-helixtrans-61.2-40.8177.5-178.40000112.1H34 T36 R42H34-S38 WeakPolarHBondContact O-CB 3.35Å; H34-S38 PolarHBondContact O-N 2.81Å; T36-S38 VanDerWaalsContact C-N 3.33Å; T36-S38 PolarHBondContact O-N 2.95Å; S38-R42 VanDerWaalsContact O-CB 3.25Å; S38-R42 WeakPolarHBondContact O-CB 3.43Å; S38-R42 VanDerWaalsContact O-CD 3.3Å; S38-R42 WeakPolarHBondContact O-CD 3.44Å; S38-R42 WeakPolarHBondContact O-CG 3.32Å; S38-R42 PolarHBondContact O-N 3.19Å; S38-R42 VanDerWaalsContact O-N 3.13Å
39E54.4Low50.7Low132 Ų13269 Ų6962%0.61736%0.36SS*.Hα-helixtrans-75.4-46.5-176.6-167.4158.8-163.600112.9A35 T36 I37 R42 L43A35-E39 PolarHBondContact O-N 3.46Å; T36-E39 PolarHBondContact O-N 3.01Å; I37-E39 VanDerWaalsContact C-N 3.33Å; I37-E39 PolarHBondContact O-N 2.9Å; E39-R42 PolarHBondContact O-N 2.73Å; E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 WeakPolarHBondContact O-CD1 3.1Å; E39-L43 WeakPolarHBondContact O-CG 2.9Å; E39-L43 PolarHBondContact O-N 2.59Å
40Y54.1Low52.1Low43 Ų4364.3 Ų64.317%0.16933%0.33CS..Hα-helixtrans-68.1-37.8178.7-77.1-64.7000112.9T36 L43 Y44T36-Y40 HydrophobicContact CG2-CD2 3.77Å; T36-Y40 HydrophobicContact CG2-CE2 3.62Å; T36-Y40 WeakPolarHBondContact O-CD2 2.99Å; T36-Y40 PolarHBondContact O-N 3.4Å; Y40-L43 HydrophobicContact CD1-CD1 4.33Å; Y40-L43 PolarHBondContact O-N 3.48Å; Y40-Y44 WeakPolarHBondContact O-CB 3.05Å; Y40-Y44 PolarHBondContact O-N 3.45Å
41G51.3Low53.2Low3 Ų358.7 Ų58.73%0.03130%0.299CS..Hα-helixtrans-60.7-46.7173.600000112.3I37 L43 Y44 I45 H294I37-G41 PolarHBondContact O-N 2Å; G41-L43 PolarHBondContact O-N 3.3Å; G41-Y44 PolarHBondContact O-N 3.12Å; G41-I45 WeakPolarHBondContact O-CD1 3.48Å; G41-I45 VanDerWaalsContact O-CG1 3.24Å; G41-I45 WeakPolarHBondContact O-CG1 3.37Å; G41-I45 PolarHBondContact O-N 3.34Å; G41-H294 WeakPolarHBondContact CA-O 2.94Å
42R58.7Low54.4Low171 Ų17152.6 Ų52.665%0.64527%0.265SS*.Hα-helixtrans-58.8-43.8173.6-79.1172.8165.1-169.1-3.4112.8S38 E39 T46S38-R42 VanDerWaalsContact O-CB 3.25Å; S38-R42 WeakPolarHBondContact O-CB 3.43Å; S38-R42 VanDerWaalsContact O-CD 3.3Å; S38-R42 WeakPolarHBondContact O-CD 3.44Å; S38-R42 WeakPolarHBondContact O-CG 3.32Å; S38-R42 PolarHBondContact O-N 3.19Å; S38-R42 VanDerWaalsContact O-N 3.13Å; E39-R42 PolarHBondContact O-N 2.73Å; R42-T46 WeakPolarHBondContact O-CB 3.16Å; R42-T46 PolarHBondContact O-N 3.29Å; R42-T46 PolarHBondContact O-OG1 3.37Å
43L59.3Low55.5Low18 Ų1852 Ų529%0.09426%0.256CS..Hα-helixtrans-60.6-46178.4-80.6156.7000111.7E39 Y40 G41 T46 N47 E214E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 WeakPolarHBondContact O-CD1 3.1Å; E39-L43 WeakPolarHBondContact O-CG 2.9Å; E39-L43 PolarHBondContact O-N 2.59Å; Y40-L43 HydrophobicContact CD1-CD1 4.33Å; Y40-L43 PolarHBondContact O-N 3.48Å; G41-L43 PolarHBondContact O-N 3.3Å; L43-T46 WeakPolarHBondContact O-CB 3.36Å; L43-T46 PolarHBondContact O-N 3.01Å; L43-N47 VanDerWaalsContact O-CG 3.29Å; L43-N47 PolarHBondContact O-N 3.25Å; L43-N47 PolarHBondContact O-ND2 2.86Å; L43-E214 WeakPolarHBondContact CD1-OE2 3.44Å; L43-E214 HydrophobicContact CD2-CB 4.2Å
44Y58.9Low57Low2 Ų250.2 Ų50.21%0.00825%0.247CC..Hα-helixtrans-63.5-48.9177.5-179.3-89.1000112.6I16 Y40 G41 T46 N47 I48 K158 K295I16-Y44 HydrophobicContact CB-CE2 4.45Å; I16-Y44 HydrophobicContact CG2-CD2 4.31Å; I16-Y44 HydrophobicContact CG2-CE1 4.47Å; I16-Y44 HydrophobicContact CG2-CE2 3.38Å; I16-Y44 VanDerWaalsContact CG2-CZ 3.45Å; I16-Y44 WeakPolarHBondContact CG2-OH 3.42Å; Y40-Y44 WeakPolarHBondContact O-CB 3.05Å; Y40-Y44 PolarHBondContact O-N 3.45Å; G41-Y44 PolarHBondContact O-N 3.12Å; Y44-T46 VanDerWaalsContact C-N 3.26Å; Y44-T46 PolarHBondContact O-N 3.3Å; Y44-N47 WeakPolarHBondContact O-CB 3.44Å; Y44-N47 PolarHBondContact O-N 2.84Å; Y44-I48 HydrophobicContact CD1-CD1 4Å; Y44-I48 HydrophobicContact CD1-CG1 4.42Å; Y44-I48 HydrophobicContact CE1-CD1 3.17Å; Y44-I48 HydrophobicContact CE1-CG1 3.89Å; Y44-I48 PolarHBondContact O-N 3.28Å; Y44-K158 PolarHBondContact OH-NZ 2.96Å; Y44-K295 HydrophobicContact CD1-CB 4.25Å; Y44-K295 HydrophobicContact CD1-CD 4.32Å; Y44-K295 HydrophobicContact CD1-CG 3.64Å; Y44-K295 HydrophobicContact CE1-CB 4.22Å; Y44-K295 HydrophobicContact CE1-CD 3.53Å; Y44-K295 HydrophobicContact CE1-CG 3.36Å; Y44-K295 WeakPolarHBondContact OH-CE 3.49Å
45I60.6Low58.5Low50 Ų5045.8 Ų45.826%0.25623%0.227SC..Hα-helixtrans-55.6-46175.2-66.1164.1000110.1G41 N47 I48 H49 K295G41-I45 WeakPolarHBondContact O-CD1 3.48Å; G41-I45 VanDerWaalsContact O-CG1 3.24Å; G41-I45 WeakPolarHBondContact O-CG1 3.37Å; G41-I45 PolarHBondContact O-N 3.34Å; I45-N47 VanDerWaalsContact C-N 3.28Å; I45-N47 PolarHBondContact O-N 3.08Å; I45-I48 PolarHBondContact O-N 2.9Å; I45-I48 VanDerWaalsContact O-N 3.14Å; I45-H49 VanDerWaalsContact CG2-CE1 3.47Å; I45-H49 WeakPolarHBondContact CG2-CE1 3.37Å; I45-H49 WeakPolarHBondContact CG2-NE2 3.42Å; I45-H49 PolarHBondContact O-CD2 2.99Å; I45-H49 VanDerWaalsContact O-CG 3.32Å; I45-H49 PolarHBondContact O-N 3.32Å; I45-K295 WeakPolarHBondContact CD1-O 3.3Å; I45-K295 WeakPolarHBondContact CG1-O 3.09Å
46T64.6Low59.7Low44 Ų4443.4 Ų43.427%0.2720%0.204SC..Hα-helixtrans-56.5-43.8176.7-54.50000111.1R42 L43 Y44 H49 I50 R218R42-T46 WeakPolarHBondContact O-CB 3.16Å; R42-T46 PolarHBondContact O-N 3.29Å; R42-T46 PolarHBondContact O-OG1 3.37Å; L43-T46 WeakPolarHBondContact O-CB 3.36Å; L43-T46 PolarHBondContact O-N 3.01Å; Y44-T46 VanDerWaalsContact C-N 3.26Å; Y44-T46 PolarHBondContact O-N 3.3Å; T46-H49 WeakPolarHBondContact O-CB 3.37Å; T46-H49 PolarHBondContact O-N 3.39Å; T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 HydrophobicContact CG2-CG1 4.39Å; T46-I50 WeakPolarHBondContact O-CB 3.32Å; T46-I50 VanDerWaalsContact O-CG1 3.24Å; T46-I50 WeakPolarHBondContact O-CG1 3.26Å; T46-I50 PolarHBondContact O-N 3.23Å; T46-R218 PolarHBondContact OG1-NH2 2.78Å; T46-R218 VanDerWaalsContact OG1-NH2 3.09Å
47N65.8Low61Low0 Ų043.1 Ų43.10%020%0.199CC..Hα-helixtrans-67-37180-68.4-25000112V12 L15 I16 L43 Y44 I45 I50 H51V12-N47 HydrophobicContact CG1-CB 4.43Å; V12-N47 WeakPolarHBondContact CG1-O 3.48Å; L15-N47 WeakPolarHBondContact CD2-ND2 3.26Å; I16-N47 HydrophobicContact CG1-CB 4.02Å; L43-N47 VanDerWaalsContact O-CG 3.29Å; L43-N47 PolarHBondContact O-N 3.25Å; L43-N47 PolarHBondContact O-ND2 2.86Å; Y44-N47 WeakPolarHBondContact O-CB 3.44Å; Y44-N47 PolarHBondContact O-N 2.84Å; I45-N47 VanDerWaalsContact C-N 3.28Å; I45-N47 PolarHBondContact O-N 3.08Å; N47-I50 WeakPolarHBondContact O-CB 3.25Å; N47-I50 PolarHBondContact O-N 3.23Å; N47-H51 WeakPolarHBondContact O-CB 3.38Å; N47-H51 PolarHBondContact O-N 3.15Å
48I63.5Low62.2Low4 Ų443.3 Ų43.32%0.02120%0.204CC..Hα-helixtrans-65.7-44.1172.1-58.7179.6000110.9I16 Y44 I45 I50 H51 Y52 L74I16-I48 HydrophobicContact CD1-CG1 4.02Å; I16-I48 HydrophobicContact CG1-CG1 4.28Å; I16-I48 HydrophobicContact CG2-CD1 4.33Å; I16-I48 HydrophobicContact CG2-CG1 3.9Å; Y44-I48 HydrophobicContact CD1-CD1 4Å; Y44-I48 HydrophobicContact CD1-CG1 4.42Å; Y44-I48 HydrophobicContact CE1-CD1 3.17Å; Y44-I48 HydrophobicContact CE1-CG1 3.89Å; Y44-I48 PolarHBondContact O-N 3.28Å; I45-I48 PolarHBondContact O-N 2.9Å; I45-I48 VanDerWaalsContact O-N 3.14Å; I48-I50 VanDerWaalsContact C-N 3.25Å; I48-I50 PolarHBondContact O-N 2.68Å; I48-H51 PolarHBondContact O-N 2.92Å; I48-H51 VanDerWaalsContact O-N 3.16Å; I48-Y52 WeakPolarHBondContact O-CB 3.34Å; I48-Y52 PolarHBondContact O-N 2.9Å; I48-L74 HydrophobicContact CB-CD2 3.88Å; I48-L74 HydrophobicContact CD1-CD1 4.33Å; I48-L74 HydrophobicContact CD1-CD2 3.74Å; I48-L74 HydrophobicContact CD1-CG 4.39Å; I48-L74 HydrophobicContact CG1-CD2 4.41Å; I48-L74 HydrophobicContact CG2-CD1 3.75Å; I48-L74 HydrophobicContact CG2-CD2 3.21Å; I48-L74 HydrophobicContact CG2-CG 4.06Å
49H65.6Low62.8Low64 Ų6444.4 Ų44.430%0.29621%0.205SC..Hα-helixtrans-57.4-42.1175.9-67.5-179.1000112I45 T46 R53 D71I45-H49 VanDerWaalsContact CG2-CE1 3.47Å; I45-H49 WeakPolarHBondContact CG2-CE1 3.37Å; I45-H49 WeakPolarHBondContact CG2-NE2 3.42Å; I45-H49 PolarHBondContact O-CD2 2.99Å; I45-H49 VanDerWaalsContact O-CG 3.32Å; I45-H49 PolarHBondContact O-N 3.32Å; T46-H49 WeakPolarHBondContact O-CB 3.37Å; T46-H49 PolarHBondContact O-N 3.39Å; H49-R53 WeakPolarHBondContact O-CB 3.49Å; H49-R53 PolarHBondContact O-N 3.13Å; H49-D71 IonicContact CD2-OD1 3.1Å; H49-D71 PolarHBondContact CD2-OD1 2.61Å; H49-D71 VanDerWaalsContact CD2-OD1 3.23Å; H49-D71 IonicContact CE1-OD1 3.72Å; H49-D71 IonicContact CE1-OD2 2.63Å; H49-D71 PolarHBondContact CE1-OD2 3.46Å; H49-D71 IonicContact NE2-OD1 2.92Å; H49-D71 PolarHBondContact NE2-OD1 3.34Å; H49-D71 IonicContact NE2-OD2 3.7Å; H49-D71 PolarHBondContact NE2-OD2 3.16Å; H49-D71 VanDerWaalsContact NE2-OD2 3.16Å
50I69.6Low63.2Low20 Ų2039.1 Ų39.110%0.10318%0.183CC..Hα-helixtrans-59.6-55.3174-77.1171.7000110V12 T46 N47 I48 Y52 R53 L54 R218 V221V12-I50 HydrophobicContact CG1-CG2 4.06Å; V12-I50 HydrophobicContact CG2-CG2 3.98Å; T46-I50 HydrophobicContact CG2-CD1 3.94Å; T46-I50 HydrophobicContact CG2-CG1 4.39Å; T46-I50 WeakPolarHBondContact O-CB 3.32Å; T46-I50 VanDerWaalsContact O-CG1 3.24Å; T46-I50 WeakPolarHBondContact O-CG1 3.26Å; T46-I50 PolarHBondContact O-N 3.23Å; N47-I50 WeakPolarHBondContact O-CB 3.25Å; N47-I50 PolarHBondContact O-N 3.23Å; I48-I50 VanDerWaalsContact C-N 3.25Å; I48-I50 PolarHBondContact O-N 2.68Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.41Å; I50-R53 PolarHBondContact O-N 3.49Å; I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 WeakPolarHBondContact O-CB 3.5Å; I50-L54 VanDerWaalsContact O-CG 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.46Å; I50-L54 PolarHBondContact O-N 2.98Å; I50-R218 HydrophobicContact CD1-CG 4.19Å; I50-V221 HydrophobicContact CD1-CG1 4.44Å; I50-V221 HydrophobicContact CD1-CG2 4.39Å; I50-V221 HydrophobicContact CG1-CG1 4.18Å; I50-V221 HydrophobicContact CG2-CB 4.15Å; I50-V221 HydrophobicContact CG2-CG1 3.86Å; I50-V221 HydrophobicContact CG2-CG2 3.34Å
51H67.4Low63.6Low6 Ų641.6 Ų41.63%0.02820%0.204CC..Hα-helixtrans-56.5-45.5-178.3178.6-107.5000111.3I9 V12 T13 I16 N47 I48 L54 L55 Y154I9-H51 VanDerWaalsContact CG2-NE2 3.32Å; I9-H51 WeakPolarHBondContact CG2-NE2 3.34Å; I9-H51 PolarHBondContact O-CD2 3.23Å; I9-H51 VanDerWaalsContact O-CD2 3.26Å; V12-H51 HydrophobicContact CB-CB 4.25Å; V12-H51 HydrophobicContact CG1-CB 3.69Å; T13-H51 PolarHBondContact OG1-CD2 2.72Å; T13-H51 PolarHBondContact OG1-NE2 3.29Å; I16-H51 HydrophobicContact CD1-CB 3.6Å; N47-H51 WeakPolarHBondContact O-CB 3.38Å; N47-H51 PolarHBondContact O-N 3.15Å; I48-H51 PolarHBondContact O-N 2.92Å; I48-H51 VanDerWaalsContact O-N 3.16Å; H51-L54 PolarHBondContact O-N 3.03Å; H51-L55 WeakPolarHBondContact CE1-CD1 3.32Å; H51-L55 WeakPolarHBondContact O-CB 3.25Å; H51-L55 WeakPolarHBondContact O-CG 3.5Å; H51-L55 PolarHBondContact O-N 3.49Å; H51-Y154 AromaticContact CE1-CD2 3.41Å; H51-Y154 VanDerWaalsContact CE1-CD2 3.41Å; H51-Y154 WeakPolarHBondContact CE1-CD2 2.79Å; H51-Y154 AromaticContact CE1-CE2 3.69Å; H51-Y154 AromaticContact ND1-CD2 3.83Å; H51-Y154 AromaticContact ND1-CE2 3.87Å
52Y66.8Low64Low28 Ų2848 Ų4811%0.1124%0.238CC..Hα-helixtrans-61.5-49.7176.4169.2-104.9000112.6I48 I50 L54 L55 I56 F65 A70 L151I48-Y52 WeakPolarHBondContact O-CB 3.34Å; I48-Y52 PolarHBondContact O-N 2.9Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.41Å; Y52-L54 PolarHBondContact O-N 3.19Å; Y52-L55 WeakPolarHBondContact O-CB 3.16Å; Y52-L55 PolarHBondContact O-N 3.14Å; Y52-L55 VanDerWaalsContact O-N 3.14Å; Y52-I56 HydrophobicContact CD1-CD1 4.32Å; Y52-I56 HydrophobicContact CD2-CD1 4.14Å; Y52-I56 HydrophobicContact CD2-CG1 4.26Å; Y52-I56 HydrophobicContact CE1-CD1 3.54Å; Y52-I56 HydrophobicContact CE1-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 3.34Å; Y52-I56 HydrophobicContact CE2-CG1 3.86Å; Y52-I56 PolarHBondContact O-N 3.49Å; Y52-I56 WeakPolarHBondContact OH-CD1 3.48Å; Y52-F65 WeakPolarHBondContact OH-CB 3.48Å; Y52-F65 WeakPolarHBondContact OH-CD2 3.48Å; Y52-F65 WeakPolarHBondContact OH-CG 3.49Å; Y52-A70 HydrophobicContact CD1-CB 4.12Å; Y52-A70 HydrophobicContact CE1-CB 3.41Å; Y52-A70 VanDerWaalsContact CE1-CB 3.41Å; Y52-A70 HydrophobicContact CE2-CB 4.1Å; Y52-A70 VanDerWaalsContact OH-CB 3.3Å; Y52-A70 WeakPolarHBondContact OH-CB 3.3Å; Y52-L151 HydrophobicContact CD2-CD1 4.34Å; Y52-L151 HydrophobicContact CD2-CD2 3.69Å; Y52-L151 HydrophobicContact CD2-CG 4.25Å; Y52-L151 HydrophobicContact CE2-CD1 3.96Å; Y52-L151 HydrophobicContact CE2-CD2 4.16Å; Y52-L151 HydrophobicContact CE2-CG 4.25Å
53R67.4Low64.2Low142 Ų14240.9 Ų40.954%0.53621%0.212SC..Hα-helixtrans-58.7-40.3177.5-176.4176.6178.8175.31.5110.6H49 I50 M57H49-R53 WeakPolarHBondContact O-CB 3.49Å; H49-R53 PolarHBondContact O-N 3.13Å; I50-R53 PolarHBondContact O-N 3.49Å; R53-M57 HydrophobicContact CG-SD 3.95Å; R53-M57 VanDerWaalsContact O-CB 3.32Å; R53-M57 WeakPolarHBondContact O-CB 3.3Å; R53-M57 WeakPolarHBondContact O-CG 3.43Å; R53-M57 PolarHBondContact O-N 3.3Å
54L68.8Low64.2Low2 Ų247.8 Ų47.81%0.0124%0.242CC..Hα-helixtrans-66.2-44.6175.2-67.4171.5000112.1Y5 L8 I9 V12 I50 H51 Y52 M57 A58 V221 F224Y5-L54 HydrophobicContact CD1-CD2 4.45Å; Y5-L54 HydrophobicContact CE1-CD2 4.33Å; L8-L54 HydrophobicContact CB-CD1 4.48Å; L8-L54 HydrophobicContact CD2-CD1 3.71Å; L8-L54 HydrophobicContact CD2-CD2 3.88Å; L8-L54 HydrophobicContact CD2-CG 4.47Å; L8-L54 HydrophobicContact CG-CD1 3.68Å; I9-L54 HydrophobicContact CD1-CB 4.24Å; I9-L54 HydrophobicContact CG1-CB 3.63Å; I9-L54 HydrophobicContact CG1-CD1 4.46Å; V12-L54 HydrophobicContact CG2-CD1 4.2Å; I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 WeakPolarHBondContact O-CB 3.5Å; I50-L54 VanDerWaalsContact O-CG 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.46Å; I50-L54 PolarHBondContact O-N 2.98Å; H51-L54 PolarHBondContact O-N 3.03Å; Y52-L54 PolarHBondContact O-N 3.19Å; L54-M57 PolarHBondContact O-N 3.23Å; L54-A58 VanDerWaalsContact O-CB 3.26Å; L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3Å; L54-V221 HydrophobicContact CD1-CG2 4.36Å; L54-F224 HydrophobicContact CD2-CD1 3.8Å; L54-F224 HydrophobicContact CD2-CE1 3.85Å
55L65.9Low64.2Low25 Ų2548.9 Ų48.913%0.13125%0.247CC..Hα-helixtrans-59.9-46.9175.9-83.9172.7000112I9 H51 Y52 A58 L59 V150I9-L55 HydrophobicContact CD1-CD2 4.2Å; I9-L55 HydrophobicContact CD1-CG 4.48Å; I9-L55 HydrophobicContact CG2-CD2 3.82Å; I9-L55 HydrophobicContact CG2-CG 4.11Å; H51-L55 WeakPolarHBondContact CE1-CD1 3.32Å; H51-L55 WeakPolarHBondContact O-CB 3.25Å; H51-L55 WeakPolarHBondContact O-CG 3.5Å; H51-L55 PolarHBondContact O-N 3.49Å; Y52-L55 WeakPolarHBondContact O-CB 3.16Å; Y52-L55 PolarHBondContact O-N 3.14Å; Y52-L55 VanDerWaalsContact O-N 3.14Å; L55-A58 PolarHBondContact O-N 3.42Å; L55-L59 HydrophobicContact CD2-CD1 4.02Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.21Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.11Å; L55-V150 HydrophobicContact CD1-CG1 3.85Å; L55-V150 HydrophobicContact CD2-CG1 4.4Å
56I63.8Low64.4Low23 Ų2349.2 Ų49.212%0.11825%0.251CS..Hα-helixtrans-62.1-48.9176.5-75.5-169.4000110.8Y52 A58 L59 S60 M63 F65Y52-I56 HydrophobicContact CD1-CD1 4.32Å; Y52-I56 HydrophobicContact CD2-CD1 4.14Å; Y52-I56 HydrophobicContact CD2-CG1 4.26Å; Y52-I56 HydrophobicContact CE1-CD1 3.54Å; Y52-I56 HydrophobicContact CE1-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 3.34Å; Y52-I56 HydrophobicContact CE2-CG1 3.86Å; Y52-I56 PolarHBondContact O-N 3.49Å; Y52-I56 WeakPolarHBondContact OH-CD1 3.48Å; I56-A58 PolarHBondContact O-N 3.46Å; I56-L59 PolarHBondContact O-N 2.58Å; I56-S60 WeakPolarHBondContact CG2-O 3.43Å; I56-S60 CarbonylContact O-C 3.59Å; I56-S60 WeakPolarHBondContact O-CA 3.41Å; I56-S60 PolarHBondContact O-N 2.98Å; I56-M63 HydrophobicContact CD1-CG 4.06Å; I56-M63 HydrophobicContact CD1-SD 3.39Å; I56-M63 WeakPolarHBondContact CD1-SD 3.14Å; I56-M63 HydrophobicContact CG1-SD 3.69Å; I56-M63 HydrophobicContact CG2-CB 4.04Å; I56-M63 HydrophobicContact CG2-SD 4.42Å; I56-F65 HydrophobicContact CD1-CD2 4.09Å
57M66.2Low64.2Low53 Ų5351.8 Ų51.826%0.26127%0.268SS..Hα-helixtrans-60.4-32.9178.9-73.5176.267.600112Y5 R53 L54 L225Y5-M57 HydrophobicContact CE1-CB 3.88Å; R53-M57 HydrophobicContact CG-SD 3.95Å; R53-M57 VanDerWaalsContact O-CB 3.32Å; R53-M57 WeakPolarHBondContact O-CB 3.3Å; R53-M57 WeakPolarHBondContact O-CG 3.43Å; R53-M57 PolarHBondContact O-N 3.3Å; L54-M57 PolarHBondContact O-N 3.23Å; M57-L225 HydrophobicContact CE-CD2 3.86Å; M57-L225 HydrophobicContact SD-CD2 3.8Å
58A64.9Low64.2Low25 Ų2553.7 Ų53.721%0.20729%0.288CS..Hα-helixtrans-76.4-41177.600000113.6Y5 I9 L54 L55 I56Y5-A58 HydrophobicContact CD1-CB 3.81Å; Y5-A58 HydrophobicContact CD2-CB 4.49Å; Y5-A58 HydrophobicContact CE1-CB 4.41Å; Y5-A58 HydrophobicContact CG-CB 3.86Å; I9-A58 HydrophobicContact CD1-CB 3.88Å; L54-A58 VanDerWaalsContact O-CB 3.26Å; L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3Å; L55-A58 PolarHBondContact O-N 3.42Å; I56-A58 PolarHBondContact O-N 3.46Å
59L61.7Low64.4Low77 Ų7754.8 Ų54.840%0.40329%0.293SS..Hα-helixtrans-103-30.9-168.5-62.3171.4000113.7L55 I56 Y146 V150L55-L59 HydrophobicContact CD2-CD1 4.02Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.21Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.11Å; I56-L59 PolarHBondContact O-N 2.58Å; L59-Y146 HydrophobicContact CB-CE1 4Å; L59-Y146 HydrophobicContact CD1-CE1 4.41Å; L59-V150 HydrophobicContact CD1-CG1 4.32Å; L59-V150 HydrophobicContact CD1-CG2 4.16Å
60S63.7Low64.4Low22 Ų2252 Ų5215%0.15428%0.281CS..  trans-156.871.3-175-68.20000110.7I56 N62 M63I56-S60 WeakPolarHBondContact CG2-O 3.43Å; I56-S60 CarbonylContact O-C 3.59Å; I56-S60 WeakPolarHBondContact O-CA 3.41Å; I56-S60 PolarHBondContact O-N 2.98Å; S60-N62 PolarHBondContact O-N 3.34Å; S60-M63 WeakPolarHBondContact O-CB 3.44Å; S60-M63 PolarHBondContact O-N 2.92Å
61P61.3Low64.3Low94 Ų9453.2 Ų53.261%0.6129%0.288SS*.THydrogen-bonded Turntrans-60.8-15.5-173.623.2-33.9000114.4
62N59.8Low64.5Low139 Ų13957.1 Ų57.174%0.74331%0.309SS*.THydrogen-bonded Turntrans-90.9-6178.6-60.6-29.5000114S60S60-N62 PolarHBondContact O-N 3.34Å
63M62Low64.8Low20 Ų2055.9 Ų55.910%0.09930%0.304CS..  trans-67.5133.1-176.3175.9-179-95.400111.6I56 S60 F65 D143I56-M63 HydrophobicContact CD1-CG 4.06Å; I56-M63 HydrophobicContact CD1-SD 3.39Å; I56-M63 WeakPolarHBondContact CD1-SD 3.14Å; I56-M63 HydrophobicContact CG1-SD 3.69Å; I56-M63 HydrophobicContact CG2-CB 4.04Å; I56-M63 HydrophobicContact CG2-SD 4.42Å; S60-M63 WeakPolarHBondContact O-CB 3.44Å; S60-M63 PolarHBondContact O-N 2.92Å; M63-F65 HydrophobicContact CE-CD2 4.48Å; M63-F65 HydrophobicContact CE-CE2 3.95Å; M63-F65 HydrophobicContact CG-CD2 3.73Å; M63-F65 HydrophobicContact CG-CE2 4.09Å; M63-F65 HydrophobicContact SD-CD2 3.61Å; M63-F65 HydrophobicContact SD-CE2 3.6Å; M63-D143 HydrophobicContact CE-CB 4.04Å; M63-D143 WeakPolarHBondContact CE-O 3.14Å
64K60.1Low65Low164 Ų16449.6 Ų49.671%0.71328%0.281SS*.  trans-116.159.7-173.6-64.5-176.3-178.6176.70113.3R134K64-R134 PolarHBondContact O-NH1 2.98Å
65F59.8Low65.3Low25 Ų2552.1 Ų52.111%0.1129%0.292CS..  trans-72.9137.9159.7-76.5-71.8000109.4Y52 I56 M63 E69 A70 I73 I144Y52-F65 WeakPolarHBondContact OH-CB 3.48Å; Y52-F65 WeakPolarHBondContact OH-CD2 3.48Å; Y52-F65 WeakPolarHBondContact OH-CG 3.49Å; I56-F65 HydrophobicContact CD1-CD2 4.09Å; M63-F65 HydrophobicContact CE-CD2 4.48Å; M63-F65 HydrophobicContact CE-CE2 3.95Å; M63-F65 HydrophobicContact CG-CD2 3.73Å; M63-F65 HydrophobicContact CG-CE2 4.09Å; M63-F65 HydrophobicContact SD-CD2 3.61Å; M63-F65 HydrophobicContact SD-CE2 3.6Å; F65-E69 HydrophobicContact CD1-CB 3.83Å; F65-A70 HydrophobicContact CB-CB 4.45Å; F65-I73 HydrophobicContact CD1-CD1 4.04Å; F65-I73 HydrophobicContact CE1-CD1 3.26Å; F65-I73 HydrophobicContact CZ-CD1 3.59Å; F65-I144 HydrophobicContact CE1-CB 4.32Å; F65-I144 HydrophobicContact CE1-CG1 3.95Å; F65-I144 HydrophobicContact CE1-CG2 3.8Å; F65-I144 HydrophobicContact CE2-CG1 4.36Å; F65-I144 HydrophobicContact CZ-CB 3.97Å; F65-I144 HydrophobicContact CZ-CG1 3.87Å; F65-I144 HydrophobicContact CZ-CG2 3.67Å
66T63.2Low65.9Low57 Ų5754.4 Ų54.435%0.3530%0.301SS..  trans-71.9152.8158.555.40000109.4G68 E69 A70T66-G68 PolarHBondContact O-N 2.83Å; T66-E69 WeakPolarHBondContact CB-OE2 3.35Å; T66-E69 PolarHBondContact N-OE2 3.38Å; T66-E69 PolarHBondContact O-N 3.2Å; T66-E69 VanDerWaalsContact OG1-CG 3.26Å; T66-E69 WeakPolarHBondContact OG1-CG 3.34Å; T66-E69 PolarHBondContact OG1-OE2 3.46Å; T66-A70 PolarHBondContact O-N 3.17Å; T66-A70 VanDerWaalsContact O-N 3.16Å
67P61.3Low66.6Low98 Ų9853.5 Ų53.564%0.63630%0.297SS*.Hα-helixtrans-49-43.8175.3-29.635.8000113.1E69 A70 D71P67-E69 PolarHBondContact O-N 2.9Å; P67-A70 WeakPolarHBondContact O-CB 3.5Å; P67-A70 PolarHBondContact O-N 3.45Å; P67-D71 PolarHBondContact O-N 2.93Å
68G65.3Low67.2Low40 Ų4051 Ų5141%0.41229%0.285SS..Hα-helixtrans-66.5-31.9179.100000115T66 N72T66-G68 PolarHBondContact O-N 2.83Å; G68-N72 WeakPolarHBondContact O-CB 3.36Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.36Å; G68-N72 VanDerWaalsContact O-N 3.11Å; G68-N72 PolarHBondContact O-ND2 3.32Å
69E67.7Low68Low27 Ų2752.5 Ų52.513%0.12629%0.287CS..Hα-helixtrans-70.3-42.3175-72.9162.3144.600111.2F65 T66 P67 D71 N72 I73 M127 R134F65-E69 HydrophobicContact CD1-CB 3.83Å; T66-E69 WeakPolarHBondContact CB-OE2 3.35Å; T66-E69 PolarHBondContact N-OE2 3.38Å; T66-E69 PolarHBondContact O-N 3.2Å; T66-E69 VanDerWaalsContact OG1-CG 3.26Å; T66-E69 WeakPolarHBondContact OG1-CG 3.34Å; T66-E69 PolarHBondContact OG1-OE2 3.46Å; P67-E69 PolarHBondContact O-N 2.9Å; E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.33Å; E69-N72 PolarHBondContact O-N 2.98Å; E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 WeakPolarHBondContact O-CG1 3.46Å; E69-I73 PolarHBondContact O-N 3.34Å; E69-I73 VanDerWaalsContact O-N 3.13Å; E69-M127 HydrophobicContact CB-CE 4.2Å; E69-R134 VanDerWaalsContact CD-NH1 3.32Å; E69-R134 IonicContact OE1-CZ 3.76Å; E69-R134 IonicContact OE1-NE 2.53Å; E69-R134 IonicContact OE1-NH1 2.66Å; E69-R134 PolarHBondContact OE1-NH1 2.95Å; E69-R134 IonicContact OE1-NH2 3.95Å; E69-R134 PolarHBondContact OE1-NH2 3.16Å; E69-R134 IonicContact OE2-CZ 3.04Å; E69-R134 IonicContact OE2-NH1 3.23Å; E69-R134 PolarHBondContact OE2-NH1 3.37Å; E69-R134 IonicContact OE2-NH2 3.21Å; E69-R134 PolarHBondContact OE2-NH2 3.39Å; E69-R134 VanDerWaalsContact OE2-NH2 3.15Å
70A66.3Low69.1Low4 Ų450.7 Ų50.73%0.03328%0.277CS..Hα-helixtrans-59.3-4417500000111.3Y52 F65 T66 P67 N72 I73 L74Y52-A70 HydrophobicContact CD1-CB 4.12Å; Y52-A70 HydrophobicContact CE1-CB 3.41Å; Y52-A70 VanDerWaalsContact CE1-CB 3.41Å; Y52-A70 HydrophobicContact CE2-CB 4.1Å; Y52-A70 VanDerWaalsContact OH-CB 3.3Å; Y52-A70 WeakPolarHBondContact OH-CB 3.3Å; F65-A70 HydrophobicContact CB-CB 4.45Å; T66-A70 PolarHBondContact O-N 3.17Å; T66-A70 VanDerWaalsContact O-N 3.16Å; P67-A70 WeakPolarHBondContact O-CB 3.5Å; P67-A70 PolarHBondContact O-N 3.45Å; A70-N72 PolarHBondContact O-N 3.31Å; A70-I73 PolarHBondContact O-N 2.85Å; A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 PolarHBondContact O-N 3.46Å
71D67.8Low70.2Confident47 Ų4751 Ų5125%0.25128%0.276SS..Hα-helixtrans-62.4-44.6-179.6-69.3-3.6000111.9H49 P67 E69 I73 L74 H75H49-D71 IonicContact CD2-OD1 3.1Å; H49-D71 PolarHBondContact CD2-OD1 2.61Å; H49-D71 VanDerWaalsContact CD2-OD1 3.23Å; H49-D71 IonicContact CE1-OD1 3.72Å; H49-D71 IonicContact CE1-OD2 2.63Å; H49-D71 PolarHBondContact CE1-OD2 3.46Å; H49-D71 IonicContact NE2-OD1 2.92Å; H49-D71 PolarHBondContact NE2-OD1 3.34Å; H49-D71 IonicContact NE2-OD2 3.7Å; H49-D71 PolarHBondContact NE2-OD2 3.16Å; H49-D71 VanDerWaalsContact NE2-OD2 3.16Å; P67-D71 PolarHBondContact O-N 2.93Å; E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.33Å; D71-I73 PolarHBondContact O-N 3.37Å; D71-L74 PolarHBondContact O-N 3.29Å; D71-H75 WeakPolarHBondContact O-CB 3.09Å; D71-H75 PolarHBondContact O-N 2.63Å
72N71.6Confident71.3Confident87 Ų8747.3 Ų47.347%0.46525%0.251SS..Hα-helixtrans-62.9-43177.4-77.4-24.1000112.2G68 E69 A70 H75 K76 F123 M127G68-N72 WeakPolarHBondContact O-CB 3.36Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.36Å; G68-N72 VanDerWaalsContact O-N 3.11Å; G68-N72 PolarHBondContact O-ND2 3.32Å; E69-N72 PolarHBondContact O-N 2.98Å; A70-N72 PolarHBondContact O-N 3.31Å; N72-H75 PolarHBondContact O-N 3.14Å; N72-K76 WeakPolarHBondContact O-CG 3.17Å; N72-K76 PolarHBondContact O-N 2.85Å; N72-K76 VanDerWaalsContact O-N 3.14Å; N72-F123 HydrophobicContact CB-CE1 4.18Å; N72-F123 HydrophobicContact CB-CZ 4.16Å; N72-F123 WeakPolarHBondContact O-CE1 3.24Å; N72-M127 HydrophobicContact CB-SD 3.93Å
73I72Confident72.6Confident3 Ų340.9 Ų40.92%0.01522%0.216CC..Hα-helixtrans-64.1-48.5179.3-66159.9000110.3F65 E69 A70 D71 H75 K76 S77 F123 M127 C148 L151F65-I73 HydrophobicContact CD1-CD1 4.04Å; F65-I73 HydrophobicContact CE1-CD1 3.26Å; F65-I73 HydrophobicContact CZ-CD1 3.59Å; E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 WeakPolarHBondContact O-CG1 3.46Å; E69-I73 PolarHBondContact O-N 3.34Å; E69-I73 VanDerWaalsContact O-N 3.13Å; A70-I73 PolarHBondContact O-N 2.85Å; D71-I73 PolarHBondContact O-N 3.37Å; I73-H75 VanDerWaalsContact C-N 3.35Å; I73-K76 PolarHBondContact O-N 3.46Å; I73-S77 VanDerWaalsContact O-CB 3.25Å; I73-S77 WeakPolarHBondContact O-CB 3.38Å; I73-S77 PolarHBondContact O-N 2.84Å; I73-F123 HydrophobicContact CG1-CD1 4.44Å; I73-F123 HydrophobicContact CG1-CE1 4.24Å; I73-M127 HydrophobicContact CD1-CE 3.41Å; I73-M127 VanDerWaalsContact CD1-CE 3.41Å; I73-M127 HydrophobicContact CG1-CE 3.31Å; I73-M127 HydrophobicContact CG1-SD 3.98Å; I73-C148 WeakPolarHBondContact CD1-SG 3.5Å; I73-L151 HydrophobicContact CB-CD1 3.84Å; I73-L151 HydrophobicContact CD1-CD1 4.45Å; I73-L151 HydrophobicContact CG2-CB 4.07Å; I73-L151 HydrophobicContact CG2-CD1 3.49Å; I73-L151 VanDerWaalsContact CG2-CD1 3.49Å; I73-L151 HydrophobicContact CG2-CG 4.44Å
74L71.3Confident74Confident9 Ų944 Ų445%0.04723%0.23CC..Hα-helixtrans-60.4-46.4178.9175.674.8000111I48 A70 D71 K76 S77 E78 L151 Y154I48-L74 HydrophobicContact CB-CD2 3.88Å; I48-L74 HydrophobicContact CD1-CD1 4.33Å; I48-L74 HydrophobicContact CD1-CD2 3.74Å; I48-L74 HydrophobicContact CD1-CG 4.39Å; I48-L74 HydrophobicContact CG1-CD2 4.41Å; I48-L74 HydrophobicContact CG2-CD1 3.75Å; I48-L74 HydrophobicContact CG2-CD2 3.21Å; I48-L74 HydrophobicContact CG2-CG 4.06Å; A70-L74 WeakPolarHBondContact O-CB 3.47Å; A70-L74 PolarHBondContact O-N 3.46Å; D71-L74 PolarHBondContact O-N 3.29Å; L74-K76 PolarHBondContact O-N 2.93Å; L74-S77 PolarHBondContact O-N 3.42Å; L74-E78 HydrophobicContact CD1-CG 4.22Å; L74-E78 HydrophobicContact CG-CG 4.34Å; L74-E78 WeakPolarHBondContact O-CB 3.01Å; L74-E78 WeakPolarHBondContact O-CG 2.97Å; L74-E78 PolarHBondContact O-N 3.07Å; L74-L151 HydrophobicContact CD1-CD2 4.24Å; L74-Y154 HydrophobicContact CD1-CD1 4.44Å
75H75Confident75.4Confident55 Ų5536.4 Ų36.426%0.25520%0.196SC..Hα-helixtrans-53.9-53178.2179.468.6000112D71 N72 I73 S77 E78 E79 Y296D71-H75 WeakPolarHBondContact O-CB 3.09Å; D71-H75 PolarHBondContact O-N 2.63Å; N72-H75 PolarHBondContact O-N 3.14Å; I73-H75 VanDerWaalsContact C-N 3.35Å; H75-S77 VanDerWaalsContact C-N 3.32Å; H75-S77 PolarHBondContact O-N 3.4Å; H75-E78 PolarHBondContact O-N 3.36Å; H75-E79 WeakPolarHBondContact O-CB 3.11Å; H75-E79 PolarHBondContact O-N 3.12Å; H75-Y296 VanDerWaalsContact CA-OH 3.27Å; H75-Y296 WeakPolarHBondContact CA-OH 3.4Å; H75-Y296 HydrophobicContact CB-CD1 4.2Å; H75-Y296 HydrophobicContact CB-CE1 3.56Å; H75-Y296 HydrophobicContact CB-CE2 4.41Å; H75-Y296 AromaticContact CE1-CD1 3.9Å; H75-Y296 AromaticContact CE1-CD2 3.38Å; H75-Y296 WeakPolarHBondContact CE1-CD2 3.5Å; H75-Y296 AromaticContact CE1-CE2 3.81Å; H75-Y296 AromaticContact CE1-CG 3.46Å; H75-Y296 VanDerWaalsContact CE1-CG 3.46Å; H75-Y296 AromaticContact CG-CD1 3.9Å; H75-Y296 AromaticContact CG-CE1 3.7Å; H75-Y296 AromaticContact CG-CZ 3.82Å; H75-Y296 AromaticContact ND1-CD1 3.11Å; H75-Y296 WeakPolarHBondContact ND1-CD1 3.15Å; H75-Y296 AromaticContact ND1-CD2 2.97Å; H75-Y296 WeakPolarHBondContact ND1-CD2 3.4Å; H75-Y296 AromaticContact ND1-CE1 3.17Å; H75-Y296 WeakPolarHBondContact ND1-CE1 3.49Å; H75-Y296 AromaticContact ND1-CE2 3.01Å; H75-Y296 WeakPolarHBondContact ND1-CE2 3.2Å; H75-Y296 AromaticContact ND1-CG 3.05Å; H75-Y296 AromaticContact ND1-CZ 3.16Å
76K78.6Confident76.9Confident73 Ų7335.2 Ų35.232%0.31719%0.191SC..Hα-helixtrans-69.4-32.2-179.3-64.8-156.3-170.2-171.60113.3N72 I73 L74 E80 F123N72-K76 WeakPolarHBondContact O-CG 3.17Å; N72-K76 PolarHBondContact O-N 2.85Å; N72-K76 VanDerWaalsContact O-N 3.14Å; I73-K76 PolarHBondContact O-N 3.46Å; L74-K76 PolarHBondContact O-N 2.93Å; K76-E80 VanDerWaalsContact O-CB 3.31Å; K76-E80 WeakPolarHBondContact O-CB 3.42Å; K76-E80 PolarHBondContact O-N 2.86Å; K76-F123 HydrophobicContact CB-CD1 3.89Å; K76-F123 HydrophobicContact CB-CE1 4.22Å; K76-F123 HydrophobicContact CB-CG 4.24Å; K76-F123 HydrophobicContact CD-CB 4.3Å; K76-F123 HydrophobicContact CD-CD1 3.67Å; K76-F123 HydrophobicContact CD-CD2 3.4Å; K76-F123 HydrophobicContact CD-CE1 3.68Å; K76-F123 HydrophobicContact CD-CE2 3.45Å; K76-F123 VanDerWaalsContact CD-CE2 3.45Å; K76-F123 HydrophobicContact CD-CG 3.5Å; K76-F123 HydrophobicContact CD-CZ 3.55Å; K76-F123 HydrophobicContact CG-CD1 4.09Å; K76-F123 HydrophobicContact CG-CE1 3.99Å; K76-F123 HydrophobicContact CG-CG 4.36Å; K76-F123 HydrophobicContact CG-CZ 4.2Å; K76-F123 VanDerWaalsContact NZ-CD2 3.31Å
77S78.3Confident78.4Confident4 Ų433.5 Ų33.53%0.02818%0.179CC..Hα-helixtrans-65.2-44.5172.7179.70000111.5I73 L74 H75 E80 H81 K152 S155I73-S77 VanDerWaalsContact O-CB 3.25Å; I73-S77 WeakPolarHBondContact O-CB 3.38Å; I73-S77 PolarHBondContact O-N 2.84Å; L74-S77 PolarHBondContact O-N 3.42Å; H75-S77 VanDerWaalsContact C-N 3.32Å; H75-S77 PolarHBondContact O-N 3.4Å; S77-E80 PolarHBondContact O-N 2.89Å; S77-H81 PolarHBondContact O-N 3.32Å; S77-H81 VanDerWaalsContact O-N 3.13Å; S77-H81 PolarHBondContact O-ND1 3.33Å; S77-K152 WeakPolarHBondContact OG-CA 3.35Å; S77-S155 WeakPolarHBondContact OG-CB 3.46Å; S77-S155 PolarHBondContact OG-OG 3.01Å
78E79.1Confident79.9Confident0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-64.3-46.9176.7-72.2-69.1132.800111.2L74 H75 E80 H81 Q82 S155 K158 W159 K295L74-E78 HydrophobicContact CD1-CG 4.22Å; L74-E78 HydrophobicContact CG-CG 4.34Å; L74-E78 WeakPolarHBondContact O-CB 3.01Å; L74-E78 WeakPolarHBondContact O-CG 2.97Å; L74-E78 PolarHBondContact O-N 3.07Å; H75-E78 PolarHBondContact O-N 3.36Å; E78-E80 PolarHBondContact O-N 2.87Å; E78-H81 PolarHBondContact O-N 3.24Å; E78-Q82 WeakPolarHBondContact O-CB 3.47Å; E78-Q82 PolarHBondContact O-N 3.17Å; E78-S155 WeakPolarHBondContact OE1-CB 3.39Å; E78-S155 PolarHBondContact OE1-OG 2.78Å; E78-K158 IonicContact OE2-NZ 2.58Å; E78-K158 PolarHBondContact OE2-NZ 3.18Å; E78-K158 VanDerWaalsContact OE2-NZ 3.14Å; E78-W159 PolarHBondContact OE2-NE1 3Å; E78-K295 IonicContact OE2-NZ 2.78Å; E78-K295 PolarHBondContact OE2-NZ 2.82Å
79E82.3Confident81.2Confident57 Ų5730.6 Ų30.627%0.26615%0.149SC..Hα-helixtrans-56-48.4175.7-176.1-172.2-171.700111.1H75 H81 Q82 V83H75-E79 WeakPolarHBondContact O-CB 3.11Å; H75-E79 PolarHBondContact O-N 3.12Å; E79-H81 PolarHBondContact O-N 3.3Å; E79-Q82 PolarHBondContact O-N 2.75Å; E79-V83 VanDerWaalsContact O-CG2 3.29Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 3.37Å
80E85.2Confident82.5Confident39 Ų3929.3 Ų29.318%0.18214%0.143CC..Hα-helixtrans-58.5-47.3179.7174.5179-176.100112.2K76 S77 E78 K84 I119K76-E80 VanDerWaalsContact O-CB 3.31Å; K76-E80 WeakPolarHBondContact O-CB 3.42Å; K76-E80 PolarHBondContact O-N 2.86Å; S77-E80 PolarHBondContact O-N 2.89Å; E78-E80 PolarHBondContact O-N 2.87Å; E80-K84 HydrophobicContact CG-CD 4.31Å; E80-K84 WeakPolarHBondContact O-CB 3.21Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 3.29Å; E80-K84 VanDerWaalsContact O-N 3.15Å; E80-K84 WeakPolarHBondContact OE1-CE 3.27Å; E80-K84 IonicContact OE1-NZ 3.1Å; E80-K84 PolarHBondContact OE1-NZ 2.76Å; E80-I119 HydrophobicContact CB-CD1 4.22Å; E80-I119 HydrophobicContact CB-CG2 3.99Å; E80-I119 HydrophobicContact CG-CD1 4.29Å; E80-I119 HydrophobicContact CG-CG2 3.98Å
81H85.3Confident83.8Confident28 Ų2831.8 Ų31.813%0.1316%0.155CC..Hα-helixtrans-75.6-31.5-176.7-70.689.7000112.5S77 E78 E79 W85 W159S77-H81 PolarHBondContact O-N 3.32Å; S77-H81 VanDerWaalsContact O-N 3.13Å; S77-H81 PolarHBondContact O-ND1 3.33Å; E78-H81 PolarHBondContact O-N 3.24Å; E79-H81 PolarHBondContact O-N 3.3Å; H81-W85 WeakPolarHBondContact O-CB 3.43Å; H81-W85 PolarHBondContact O-N 3.07Å; H81-W159 HydrophobicContact CB-CB 3.9Å; H81-W159 HydrophobicContact CB-CG 3.67Å
82Q84.6Confident84.9Confident18 Ų1830.5 Ų30.58%0.08415%0.152CC..Hα-helixtrans-61.8-53.2172.3-176.9-170.613.300111.1E78 E79 K84 W85 A86 W159 M288 V292E78-Q82 WeakPolarHBondContact O-CB 3.47Å; E78-Q82 PolarHBondContact O-N 3.17Å; E79-Q82 PolarHBondContact O-N 2.75Å; Q82-K84 VanDerWaalsContact C-N 3.28Å; Q82-K84 PolarHBondContact O-N 3.27Å; Q82-W85 CarbonylContact O-C 3.56Å; Q82-W85 WeakPolarHBondContact O-CA 3.45Å; Q82-W85 WeakPolarHBondContact O-CB 3.36Å; Q82-W85 PolarHBondContact O-N 3.31Å; Q82-A86 PolarHBondContact O-N 3.26Å; Q82-W159 HydrophobicContact CB-CD2 4.42Å; Q82-W159 HydrophobicContact CB-CH2 3.83Å; Q82-W159 HydrophobicContact CB-CZ2 3.53Å; Q82-W159 HydrophobicContact CB-CZ3 4.36Å; Q82-W159 HydrophobicContact CG-CH2 3.57Å; Q82-W159 HydrophobicContact CG-CZ2 3.77Å; Q82-W159 HydrophobicContact CG-CZ3 4.14Å; Q82-M288 HydrophobicContact CG-CE 3.93Å; Q82-M288 HydrophobicContact CG-CG 4.41Å; Q82-M288 HydrophobicContact CG-SD 3.24Å; Q82-M288 WeakPolarHBondContact CG-SD 3.45Å; Q82-M288 VanDerWaalsContact NE2-CE 3.35Å; Q82-M288 PolarHBondContact NE2-O 3.41Å; Q82-V292 HydrophobicContact CG-CG2 4.06Å
83V88.7Confident85.8Confident4 Ų426.4 Ų26.42%0.02413%0.13CC..Hα-helixtrans-61.2-40.8-179.1172.10000110.7E79 W85 A86 L87 Y112 V115 N116 I119E79-V83 VanDerWaalsContact O-CG2 3.29Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 3.37Å; V83-W85 PolarHBondContact O-N 3.21Å; V83-A86 PolarHBondContact O-N 2.89Å; V83-L87 HydrophobicContact CG1-CD1 4.15Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.8Å; V83-Y112 HydrophobicContact CG1-CD1 4.39Å; V83-Y112 HydrophobicContact CG2-CD1 4.34Å; V83-V115 HydrophobicContact CG2-CB 4.24Å; V83-V115 HydrophobicContact CG2-CG1 3.65Å; V83-N116 HydrophobicContact CG1-CB 3.55Å; V83-I119 HydrophobicContact CB-CD1 4.18Å; V83-I119 HydrophobicContact CG1-CD1 4.27Å
84K90.5Very high86.7Confident86 Ų8631.1 Ų31.137%0.37415%0.147SC..Hα-helixtrans-62.5-40.8172.9-74.6176.7-172.5173.40112.3E80 Q82 N88E80-K84 HydrophobicContact CG-CD 4.31Å; E80-K84 WeakPolarHBondContact O-CB 3.21Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 3.29Å; E80-K84 VanDerWaalsContact O-N 3.15Å; E80-K84 WeakPolarHBondContact OE1-CE 3.27Å; E80-K84 IonicContact OE1-NZ 3.1Å; E80-K84 PolarHBondContact OE1-NZ 2.76Å; Q82-K84 VanDerWaalsContact C-N 3.28Å; Q82-K84 PolarHBondContact O-N 3.27Å; K84-N88 WeakPolarHBondContact O-CB 3.31Å; K84-N88 VanDerWaalsContact O-CG 3.25Å; K84-N88 PolarHBondContact O-N 2.82Å; K84-N88 VanDerWaalsContact O-N 3.17Å; K84-N88 PolarHBondContact O-ND2 2.9Å
85W90.5Very high87.4Confident3 Ų334.9 Ų34.91%0.01117%0.174CC..Hα-helixtrans-59.9-48.7173.2169.8106.2000110.3H81 Q82 V83 L87 N88 Y89 W159 K163 D166 V284 I285 M288H81-W85 WeakPolarHBondContact O-CB 3.43Å; H81-W85 PolarHBondContact O-N 3.07Å; Q82-W85 CarbonylContact O-C 3.56Å; Q82-W85 WeakPolarHBondContact O-CA 3.45Å; Q82-W85 WeakPolarHBondContact O-CB 3.36Å; Q82-W85 PolarHBondContact O-N 3.31Å; V83-W85 PolarHBondContact O-N 3.21Å; W85-L87 PolarHBondContact O-N 3.32Å; W85-N88 WeakPolarHBondContact O-CB 3.47Å; W85-N88 PolarHBondContact O-N 2.88Å; W85-Y89 HydrophobicContact CH2-CD1 4.38Å; W85-Y89 HydrophobicContact CH2-CD2 4.43Å; W85-Y89 HydrophobicContact CH2-CG 4.07Å; W85-Y89 HydrophobicContact CZ2-CD2 4.1Å; W85-Y89 HydrophobicContact CZ2-CG 4.1Å; W85-Y89 PolarHBondContact O-N 3.4Å; W85-W159 HydrophobicContact CB-CE3 3.89Å; W85-W159 HydrophobicContact CD2-CZ3 4.46Å; W85-W159 AromaticContact CG-CE3 3.97Å; W85-W159 HydrophobicContact CG-CE3 3.97Å; W85-W159 HydrophobicContact CG-CZ3 4.36Å; W85-K163 VanDerWaalsContact CD1-N 3.29Å; W85-D166 VanDerWaalsContact CE2-OD2 3.24Å; W85-D166 HydrophobicContact CZ2-CB 4.07Å; W85-D166 WeakPolarHBondContact CZ2-OD2 3.49Å; W85-D166 PolarHBondContact NE1-OD2 3.45Å; W85-V284 HydrophobicContact CH2-CG1 3.83Å; W85-V284 HydrophobicContact CZ2-CG1 4.01Å; W85-I285 HydrophobicContact CH2-CD1 4.36Å; W85-I285 HydrophobicContact CZ3-CD1 3.92Å; W85-M288 HydrophobicContact CD2-CG 4.27Å; W85-M288 HydrophobicContact CD2-SD 4.12Å; W85-M288 HydrophobicContact CE3-CB 4.37Å; W85-M288 HydrophobicContact CE3-CE 4.32Å; W85-M288 HydrophobicContact CE3-CG 3.57Å; W85-M288 HydrophobicContact CE3-SD 3.06Å; W85-M288 HydrophobicContact CH2-CB 3.72Å; W85-M288 HydrophobicContact CH2-CG 3.79Å; W85-M288 HydrophobicContact CH2-SD 4.15Å; W85-M288 HydrophobicContact CZ2-CG 4.43Å; W85-M288 HydrophobicContact CZ3-CB 3.63Å; W85-M288 HydrophobicContact CZ3-CE 3.93Å; W85-M288 HydrophobicContact CZ3-CG 3.33Å; W85-M288 HydrophobicContact CZ3-SD 3.1Å; W85-M288 WeakPolarHBondContact CZ3-SD 3.39Å
86A91.3Very high88Confident0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-63.3-44.9-173.300000110.8Q82 V83 N88 Y89 L90 Y112 I285 M288Q82-A86 PolarHBondContact O-N 3.26Å; V83-A86 PolarHBondContact O-N 2.89Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.16Å; A86-Y89 PolarHBondContact O-N 3.4Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 3.4Å; A86-Y112 HydrophobicContact CB-CD1 3.55Å; A86-Y112 HydrophobicContact CB-CD2 4.29Å; A86-Y112 HydrophobicContact CB-CE1 3.47Å; A86-Y112 VanDerWaalsContact CB-CE1 3.47Å; A86-Y112 HydrophobicContact CB-CE2 4.27Å; A86-Y112 HydrophobicContact CB-CG 3.96Å; A86-I285 HydrophobicContact CB-CD1 4.23Å; A86-M288 HydrophobicContact CB-CE 4.35Å; A86-M288 HydrophobicContact CB-SD 4.28Å
87L93.5Very high88.3Confident21 Ų2131.9 Ų31.911%0.1116%0.163CC..Hα-helixtrans-62.1-38.5174.9-69.8175.4000112.5V83 W85 N91 M109 V113 N116V83-L87 HydrophobicContact CG1-CD1 4.15Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.8Å; W85-L87 PolarHBondContact O-N 3.32Å; L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.44Å; L87-N91 VanDerWaalsContact O-CG 3.26Å; L87-N91 PolarHBondContact O-N 2.97Å; L87-N91 PolarHBondContact O-ND2 2.9Å; L87-M109 HydrophobicContact CD2-CE 4.15Å; L87-M109 HydrophobicContact CD2-SD 3.84Å; L87-V113 HydrophobicContact CD2-CG2 3.64Å; L87-N116 HydrophobicContact CD1-CB 3.82Å
88N93.8Very high88.7Confident71 Ų7139.3 Ų39.338%0.3820%0.195SC..Hα-helixtrans-66-44.7175.3-75-45000111.5K84 W85 A86 N91 A92 K163K84-N88 WeakPolarHBondContact O-CB 3.31Å; K84-N88 VanDerWaalsContact O-CG 3.25Å; K84-N88 PolarHBondContact O-N 2.82Å; K84-N88 VanDerWaalsContact O-N 3.17Å; K84-N88 PolarHBondContact O-ND2 2.9Å; W85-N88 WeakPolarHBondContact O-CB 3.47Å; W85-N88 PolarHBondContact O-N 2.88Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.16Å; N88-N91 PolarHBondContact O-N 3.45Å; N88-A92 WeakPolarHBondContact O-CB 3.24Å; N88-A92 PolarHBondContact O-N 3.14Å; N88-K163 HydrophobicContact CB-CD 4.13Å
89Y91.8Very high89Confident6 Ų639.7 Ų39.72%0.02420%0.197CC..Hα-helixtrans-60.9-51.7177.6178.4-94.4000111.2W85 A86 N91 A92 A93 D166 I170 V281 V284 I285W85-Y89 HydrophobicContact CH2-CD1 4.38Å; W85-Y89 HydrophobicContact CH2-CD2 4.43Å; W85-Y89 HydrophobicContact CH2-CG 4.07Å; W85-Y89 HydrophobicContact CZ2-CD2 4.1Å; W85-Y89 HydrophobicContact CZ2-CG 4.1Å; W85-Y89 PolarHBondContact O-N 3.4Å; A86-Y89 PolarHBondContact O-N 3.4Å; Y89-N91 PolarHBondContact O-N 3.49Å; Y89-A92 WeakPolarHBondContact O-CB 3.4Å; Y89-A92 PolarHBondContact O-N 2.98Å; Y89-A92 VanDerWaalsContact O-N 3.16Å; Y89-A93 WeakPolarHBondContact O-CB 3.16Å; Y89-A93 PolarHBondContact O-N 3.13Å; Y89-D166 HydrophobicContact CD2-CB 3.72Å; Y89-D166 HydrophobicContact CE2-CB 3.93Å; Y89-I170 HydrophobicContact CD2-CD1 3.54Å; Y89-I170 HydrophobicContact CD2-CG1 4.27Å; Y89-I170 HydrophobicContact CE2-CD1 3.4Å; Y89-I170 VanDerWaalsContact CE2-CD1 3.4Å; Y89-I170 HydrophobicContact CE2-CG1 3.67Å; Y89-I170 HydrophobicContact CG-CD1 4.22Å; Y89-V281 HydrophobicContact CE1-CB 4.46Å; Y89-V281 HydrophobicContact CE1-CG1 4.31Å; Y89-V281 HydrophobicContact CE1-CG2 4.27Å; Y89-V284 HydrophobicContact CD2-CG1 4.2Å; Y89-V284 HydrophobicContact CE1-CB 4.08Å; Y89-V284 HydrophobicContact CE1-CG1 3.97Å; Y89-V284 HydrophobicContact CE2-CB 4.26Å; Y89-V284 HydrophobicContact CE2-CG1 3.6Å; Y89-V284 VanDerWaalsContact CZ-CG1 3.49Å; Y89-V284 WeakPolarHBondContact OH-CB 3.4Å; Y89-V284 WeakPolarHBondContact OH-CG2 3.12Å; Y89-I285 HydrophobicContact CD1-CD1 4.28Å
90L93.8Very high89Confident0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-60-45.7178.5-69.2169.1000111.1A86 A92 A93 R94 F105 T108 M109 Y112 V281 I285A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 3.4Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.09Å; L90-A93 PolarHBondContact O-N 3.36Å; L90-R94 WeakPolarHBondContact O-CB 3.29Å; L90-R94 PolarHBondContact O-N 3.42Å; L90-F105 HydrophobicContact CB-CE2 4.25Å; L90-F105 HydrophobicContact CB-CZ 3.97Å; L90-F105 HydrophobicContact CD2-CD2 4.31Å; L90-F105 HydrophobicContact CD2-CE2 3.63Å; L90-F105 HydrophobicContact CD2-CZ 4.15Å; L90-F105 VanDerWaalsContact O-CZ 3.23Å; L90-F105 WeakPolarHBondContact O-CZ 3.21Å; L90-T108 HydrophobicContact CD1-CG2 4.22Å; L90-T108 HydrophobicContact CD2-CG2 4.26Å; L90-M109 HydrophobicContact CB-SD 3.63Å; L90-M109 HydrophobicContact CD1-SD 3.93Å; L90-M109 HydrophobicContact CG-SD 4.43Å; L90-Y112 HydrophobicContact CD1-CD2 3.86Å; L90-Y112 HydrophobicContact CD1-CG 4.45Å; L90-V281 HydrophobicContact CD2-CG1 3.57Å; L90-I285 HydrophobicContact CD1-CD1 4.46Å; L90-I285 HydrophobicContact CD2-CD1 4.26Å; L90-I285 HydrophobicContact CD2-CG1 4.33Å; L90-I285 HydrophobicContact CG-CD1 4.25Å
91N94.1Very high88.9Confident56 Ų5645.4 Ų45.430%0.29923%0.228SC..Hα-helixtrans-59.1-41.7176.2-81.6-50.2000112.5L87 N88 Y89 R94 S95 M109L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.44Å; L87-N91 VanDerWaalsContact O-CG 3.26Å; L87-N91 PolarHBondContact O-N 2.97Å; L87-N91 PolarHBondContact O-ND2 2.9Å; N88-N91 PolarHBondContact O-N 3.45Å; Y89-N91 PolarHBondContact O-N 3.49Å; N91-R94 PolarHBondContact OD1-NH2 3.44Å; N91-S95 PolarHBondContact O-N 3.16Å; N91-S95 VanDerWaalsContact O-N 3.1Å; N91-S95 PolarHBondContact O-OG 3.41Å; N91-M109 WeakPolarHBondContact OD1-CE 3.32Å
92A91.7Very high88.9Confident21 Ų2148.9 Ų48.917%0.17424%0.244CC..Hα-helixtrans-65.6-46.3176.500000111.5N88 Y89 L90 R94 S95 T96 L167 I170N88-A92 WeakPolarHBondContact O-CB 3.24Å; N88-A92 PolarHBondContact O-N 3.14Å; Y89-A92 WeakPolarHBondContact O-CB 3.4Å; Y89-A92 PolarHBondContact O-N 2.98Å; Y89-A92 VanDerWaalsContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.09Å; A92-R94 PolarHBondContact O-N 3.23Å; A92-S95 PolarHBondContact O-N 2.88Å; A92-S95 PolarHBondContact O-OG 2.85Å; A92-T96 WeakPolarHBondContact O-CB 3.42Å; A92-T96 PolarHBondContact O-N 3.25Å; A92-T96 PolarHBondContact O-OG1 2.8Å; A92-L167 HydrophobicContact CB-CD2 3.35Å; A92-I170 HydrophobicContact CB-CD1 3.8Å
93A89.9Confident89.2Confident0 Ų053.6 Ų53.60%027%0.269CS..Hα-helixtrans-60.2-45.8177.100000111.5Y89 L90 S95 T96 W97 L99 F105 I170 V281Y89-A93 WeakPolarHBondContact O-CB 3.16Å; Y89-A93 PolarHBondContact O-N 3.13Å; L90-A93 PolarHBondContact O-N 3.36Å; A93-S95 PolarHBondContact O-N 3.33Å; A93-T96 PolarHBondContact O-N 3.27Å; A93-W97 HydrophobicContact CB-CE3 3.84Å; A93-W97 HydrophobicContact CB-CZ3 3.94Å; A93-W97 WeakPolarHBondContact O-CB 3.34Å; A93-W97 PolarHBondContact O-N 2.8Å; A93-L99 HydrophobicContact CB-CD1 4.42Å; A93-F105 HydrophobicContact CB-CE2 4.43Å; A93-I170 HydrophobicContact CB-CD1 4.11Å; A93-V281 HydrophobicContact CB-CG2 3.72Å
94R90.8Very high89.2Confident102 Ų10258.6 Ų58.639%0.38529%0.294SS..Hα-helixtrans-52.1-53173.9-174.3179.961.6-175.1-3111.2L90 N91 A92 K98 L99 F105L90-R94 WeakPolarHBondContact O-CB 3.29Å; L90-R94 PolarHBondContact O-N 3.42Å; N91-R94 PolarHBondContact OD1-NH2 3.44Å; A92-R94 PolarHBondContact O-N 3.23Å; R94-K98 VanDerWaalsContact O-CA 3.3Å; R94-K98 WeakPolarHBondContact O-CA 3.2Å; R94-K98 PolarHBondContact O-N 3Å; R94-L99 PolarHBondContact O-N 2.93Å; R94-F105 HydrophobicContact CB-CE1 3.71Å; R94-F105 HydrophobicContact CB-CZ 3.61Å; R94-F105 HydrophobicContact CG-CE1 3.92Å; R94-F105 HydrophobicContact CG-CZ 4.35Å
95S87.5Confident89.2Confident88 Ų8854.7 Ų54.762%0.61528%0.277SS*.Hα-helixtrans-68.5-36.1-177.465.60000113.4N91 A92 A93N91-S95 PolarHBondContact O-N 3.16Å; N91-S95 VanDerWaalsContact O-N 3.1Å; N91-S95 PolarHBondContact O-OG 3.41Å; A92-S95 PolarHBondContact O-N 2.88Å; A92-S95 PolarHBondContact O-OG 2.85Å; A93-S95 PolarHBondContact O-N 3.33Å
96T86.3Confident89.2Confident38 Ų3858.6 Ų58.623%0.23329%0.294CS..Hα-helixtrans-80.2-43.2-174-53.90000111A92 A93 I170 N174A92-T96 WeakPolarHBondContact O-CB 3.42Å; A92-T96 PolarHBondContact O-N 3.25Å; A92-T96 PolarHBondContact O-OG1 2.8Å; A93-T96 PolarHBondContact O-N 3.27Å; T96-I170 HydrophobicContact CG2-CG2 3.82Å; T96-I170 WeakPolarHBondContact OG1-CG2 3.49Å; T96-N174 HydrophobicContact CG2-CB 3.66Å; T96-N174 VanDerWaalsContact CG2-CG 3.45Å
97W85.9Confident89.2Confident28 Ų2866.4 Ų66.411%0.10633%0.328CS..Hα-helixtrans-108.710.6-172.1-55.9-34.7000113.9A93 L99 I170 L173 P277 R280 V281A93-W97 HydrophobicContact CB-CE3 3.84Å; A93-W97 HydrophobicContact CB-CZ3 3.94Å; A93-W97 WeakPolarHBondContact O-CB 3.34Å; A93-W97 PolarHBondContact O-N 2.8Å; W97-L99 HydrophobicContact CB-CD1 4.37Å; W97-L99 HydrophobicContact CB-CD2 4.19Å; W97-L99 HydrophobicContact CB-CG 4.02Å; W97-L99 HydrophobicContact CE3-CD1 4.25Å; W97-L99 PolarHBondContact O-N 3.39Å; W97-I170 HydrophobicContact CH2-CB 4.47Å; W97-I170 HydrophobicContact CH2-CG1 3.87Å; W97-I170 HydrophobicContact CZ2-CB 4.24Å; W97-I170 HydrophobicContact CZ2-CG1 4.15Å; W97-I170 HydrophobicContact CZ2-CG2 4.11Å; W97-I170 HydrophobicContact CZ3-CG1 4.48Å; W97-L173 HydrophobicContact CZ2-CB 4.17Å; W97-P277 HydrophobicContact CB-CB 3.73Å; W97-P277 HydrophobicContact CB-CG 4.14Å; W97-P277 HydrophobicContact CD2-CB 3.98Å; W97-P277 HydrophobicContact CE3-CB 3.93Å; W97-P277 HydrophobicContact CG-CB 3.93Å; W97-P277 HydrophobicContact CG-CG 4.26Å; W97-R280 HydrophobicContact CH2-CB 4.11Å; W97-R280 HydrophobicContact CZ3-CB 4.14Å; W97-V281 HydrophobicContact CE3-CG2 4.05Å; W97-V281 HydrophobicContact CZ3-CG2 3.74Å
98K85.9Confident89.1Confident160 Ų16066.9 Ų66.970%0.69633%0.332SS*.THydrogen-bonded Turntrans5347.3175.7-58-179-178.5175.80113.9R94 E100R94-K98 VanDerWaalsContact O-CA 3.3Å; R94-K98 WeakPolarHBondContact O-CA 3.2Å; R94-K98 PolarHBondContact O-N 3Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 WeakPolarHBondContact CA-OE2 3.41Å; K98-E100 PolarHBondContact O-N 3.28Å
99L86.1Confident89Confident8 Ų864.7 Ų64.74%0.04232%0.32CS..G310 helixtrans-84.710.2-175.9-55178.6000113.6A93 R94 W97 N101 E102 F105 P277 V281A93-L99 HydrophobicContact CB-CD1 4.42Å; R94-L99 PolarHBondContact O-N 2.93Å; W97-L99 HydrophobicContact CB-CD1 4.37Å; W97-L99 HydrophobicContact CB-CD2 4.19Å; W97-L99 HydrophobicContact CB-CG 4.02Å; W97-L99 HydrophobicContact CE3-CD1 4.25Å; W97-L99 PolarHBondContact O-N 3.39Å; L99-N101 PolarHBondContact O-N 3.36Å; L99-N101 VanDerWaalsContact O-N 3.08Å; L99-E102 HydrophobicContact CB-CG 4.39Å; L99-E102 HydrophobicContact CD2-CG 4.08Å; L99-E102 PolarHBondContact O-N 3.47Å; L99-E102 VanDerWaalsContact O-N 3.12Å; L99-F105 HydrophobicContact CB-CB 4.23Å; L99-F105 HydrophobicContact CB-CD1 4.07Å; L99-F105 HydrophobicContact CB-CD2 3.9Å; L99-F105 HydrophobicContact CB-CE2 4.36Å; L99-F105 HydrophobicContact CB-CG 3.76Å; L99-F105 HydrophobicContact CD1-CD2 3.61Å; L99-F105 HydrophobicContact CD1-CE2 3.93Å; L99-F105 HydrophobicContact CD1-CG 4.32Å; L99-F105 HydrophobicContact CG-CD2 4.42Å; L99-P277 HydrophobicContact CD2-CB 3.91Å; L99-V281 HydrophobicContact CD1-CG2 3.82Å
100E81.3Confident89.1Confident92 Ų9268.1 Ų68.143%0.4335%0.345SS..G310 helixtrans-58-25.7-174.655.1-88.3-166.900114.7K98 K106K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 WeakPolarHBondContact CA-OE2 3.41Å; K98-E100 PolarHBondContact O-N 3.28Å; E100-K106 WeakPolarHBondContact O-CE 3.38Å
101N82.7Confident88.9Confident124 Ų12471.7 Ų71.766%0.66337%0.369SS*.G310 helixtrans-98.9-8.2-178.1-65.4-42.5000113.6L99 D103 K106L99-N101 PolarHBondContact O-N 3.36Å; L99-N101 VanDerWaalsContact O-N 3.08Å; N101-D103 PolarHBondContact O-N 2.89Å; N101-K106 PolarHBondContact O-NZ 3.13Å
102E87.1Confident88.8Confident100 Ų10069.6 Ų69.647%0.46736%0.358SS..  trans-74.6114.5-179.3-68-63.4156.600110.8L99 M104 F105 K106L99-E102 HydrophobicContact CB-CG 4.39Å; L99-E102 HydrophobicContact CD2-CG 4.08Å; L99-E102 PolarHBondContact O-N 3.47Å; L99-E102 VanDerWaalsContact O-N 3.12Å; E102-M104 VanDerWaalsContact C-N 3.31Å; E102-M104 PolarHBondContact O-N 3.32Å; E102-F105 HydrophobicContact CB-CB 3.74Å; E102-F105 WeakPolarHBondContact O-CB 3.32Å; E102-F105 PolarHBondContact O-N 3.15Å; E102-F105 VanDerWaalsContact O-N 3.11Å; E102-K106 WeakPolarHBondContact O-CG 3.49Å; E102-K106 PolarHBondContact O-N 2.75Å
103D90.8Very high88.8Confident117 Ų11771 Ų7163%0.62636%0.364SS*.Hα-helixtrans-64.5-36.4-174-72.5-22.4000112.9N101 F105 K106 K107N101-D103 PolarHBondContact O-N 2.89Å; D103-F105 VanDerWaalsContact C-N 3.33Å; D103-F105 PolarHBondContact O-N 2.98Å; D103-K106 PolarHBondContact O-N 3.34Å; D103-K106 IonicContact OD1-NZ 3.43Å; D103-K106 PolarHBondContact OD1-NZ 2.98Å; D103-K107 WeakPolarHBondContact O-CB 3.35Å; D103-K107 PolarHBondContact O-N 3.32Å
104M87.9Confident88.9Confident110 Ų11072.6 Ų72.654%0.54238%0.38SS..Hα-helixtrans-63.5-41.6174.8-165.3-176.7-64.800111E102 K107 T108 M278 I282E102-M104 VanDerWaalsContact C-N 3.31Å; E102-M104 PolarHBondContact O-N 3.32Å; M104-K107 PolarHBondContact O-N 2.72Å; M104-T108 PolarHBondContact O-N 2.77Å; M104-T108 PolarHBondContact O-OG1 3.26Å; M104-M278 HydrophobicContact CB-CE 3.87Å; M104-M278 HydrophobicContact CG-CE 3.71Å; M104-M278 HydrophobicContact SD-CE 3.93Å; M104-I282 HydrophobicContact SD-CD1 3.42Å; M104-I282 WeakPolarHBondContact SD-CD1 3.32Å; M104-I282 HydrophobicContact SD-CG1 4.34Å
105F91.2Very high88.7Confident4 Ų470 Ų702%0.01838%0.375CS..Hα-helixtrans-61.7-45.9175.5-176.5-90.1000111.7L90 A93 R94 L99 E102 D103 K107 T108 M109 M278 V281L90-F105 HydrophobicContact CB-CE2 4.25Å; L90-F105 HydrophobicContact CB-CZ 3.97Å; L90-F105 HydrophobicContact CD2-CD2 4.31Å; L90-F105 HydrophobicContact CD2-CE2 3.63Å; L90-F105 HydrophobicContact CD2-CZ 4.15Å; L90-F105 VanDerWaalsContact O-CZ 3.23Å; L90-F105 WeakPolarHBondContact O-CZ 3.21Å; A93-F105 HydrophobicContact CB-CE2 4.43Å; R94-F105 HydrophobicContact CB-CE1 3.71Å; R94-F105 HydrophobicContact CB-CZ 3.61Å; R94-F105 HydrophobicContact CG-CE1 3.92Å; R94-F105 HydrophobicContact CG-CZ 4.35Å; L99-F105 HydrophobicContact CB-CB 4.23Å; L99-F105 HydrophobicContact CB-CD1 4.07Å; L99-F105 HydrophobicContact CB-CD2 3.9Å; L99-F105 HydrophobicContact CB-CE2 4.36Å; L99-F105 HydrophobicContact CB-CG 3.76Å; L99-F105 HydrophobicContact CD1-CD2 3.61Å; L99-F105 HydrophobicContact CD1-CE2 3.93Å; L99-F105 HydrophobicContact CD1-CG 4.32Å; L99-F105 HydrophobicContact CG-CD2 4.42Å; E102-F105 HydrophobicContact CB-CB 3.74Å; E102-F105 WeakPolarHBondContact O-CB 3.32Å; E102-F105 PolarHBondContact O-N 3.15Å; E102-F105 VanDerWaalsContact O-N 3.11Å; D103-F105 VanDerWaalsContact C-N 3.33Å; D103-F105 PolarHBondContact O-N 2.98Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.93Å; F105-T108 PolarHBondContact O-N 3.37Å; F105-M109 HydrophobicContact CE1-CB 4.38Å; F105-M109 VanDerWaalsContact O-CB 3.32Å; F105-M109 WeakPolarHBondContact O-CB 3.46Å; F105-M109 PolarHBondContact O-N 2.79Å; F105-M278 HydrophobicContact CB-CE 4.2Å; F105-M278 HydrophobicContact CB-SD 3.77Å; F105-M278 HydrophobicContact CD2-SD 4.21Å; F105-V281 HydrophobicContact CD2-CG1 4.37Å; F105-V281 HydrophobicContact CE2-CG1 4.42Å
106K90.5Very high88.8Confident84 Ų8468.7 Ų68.737%0.36536%0.361SS..Hα-helixtrans-59.6-41176.3-66.5172.6-162151.90111.8E100 N101 E102 D103 S110E100-K106 WeakPolarHBondContact O-CE 3.38Å; N101-K106 PolarHBondContact O-NZ 3.13Å; E102-K106 WeakPolarHBondContact O-CG 3.49Å; E102-K106 PolarHBondContact O-N 2.75Å; D103-K106 PolarHBondContact O-N 3.34Å; D103-K106 IonicContact OD1-NZ 3.43Å; D103-K106 PolarHBondContact OD1-NZ 2.98Å; K106-S110 VanDerWaalsContact O-CB 3.27Å; K106-S110 WeakPolarHBondContact O-CB 3.28Å; K106-S110 PolarHBondContact O-N 3.2Å; K106-S110 PolarHBondContact O-OG 3.14Å
107K91.7Very high88.9Confident164 Ų16474.8 Ų74.871%0.71339%0.385SS*.Hα-helixtrans-63.6-50.2178.3-172.7-178.1177.4-173.10111D103 M104 F105 M109 S110 S111D103-K107 WeakPolarHBondContact O-CB 3.35Å; D103-K107 PolarHBondContact O-N 3.32Å; M104-K107 PolarHBondContact O-N 2.72Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.93Å; K107-M109 PolarHBondContact O-N 3.28Å; K107-S110 PolarHBondContact O-N 3.34Å; K107-S111 PolarHBondContact O-N 3.44Å
108T90.1Very high88.9Confident32 Ų3278.2 Ų78.220%0.19641%0.409CS..Hα-helixtrans-59.2-49.2177.2-56.40000111L90 M104 F105 S110 S111 Y112L90-T108 HydrophobicContact CD1-CG2 4.22Å; L90-T108 HydrophobicContact CD2-CG2 4.26Å; M104-T108 PolarHBondContact O-N 2.77Å; M104-T108 PolarHBondContact O-OG1 3.26Å; F105-T108 PolarHBondContact O-N 3.37Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.2Å; T108-S111 WeakPolarHBondContact O-CB 3.42Å; T108-S111 PolarHBondContact O-N 3.35Å; T108-Y112 HydrophobicContact CG2-CD2 4.11Å; T108-Y112 HydrophobicContact CG2-CE2 4Å; T108-Y112 WeakPolarHBondContact O-CD2 3.09Å; T108-Y112 PolarHBondContact O-N 3.24Å
109M92.3Very high88.8Confident24 Ų2471.9 Ų71.912%0.11838%0.383CS..Hα-helixtrans-57.1-45.2176.8-174.165.9168.900112.5L87 L90 N91 F105 K107 S111 Y112 V113L87-M109 HydrophobicContact CD2-CE 4.15Å; L87-M109 HydrophobicContact CD2-SD 3.84Å; L90-M109 HydrophobicContact CB-SD 3.63Å; L90-M109 HydrophobicContact CD1-SD 3.93Å; L90-M109 HydrophobicContact CG-SD 4.43Å; N91-M109 WeakPolarHBondContact OD1-CE 3.32Å; F105-M109 HydrophobicContact CE1-CB 4.38Å; F105-M109 VanDerWaalsContact O-CB 3.32Å; F105-M109 WeakPolarHBondContact O-CB 3.46Å; F105-M109 PolarHBondContact O-N 2.79Å; K107-M109 PolarHBondContact O-N 3.28Å; M109-S111 VanDerWaalsContact C-N 3.32Å; M109-S111 PolarHBondContact O-N 3.44Å; M109-Y112 PolarHBondContact O-N 3.02Å; M109-V113 WeakPolarHBondContact O-CG2 3.17Å; M109-V113 PolarHBondContact O-N 3.38Å
110S92.8Very high88.4Confident79 Ų7974.3 Ų74.355%0.55240%0.398SS*.Hα-helixtrans-65.1-36.4179.7-59.90000112.3K106 K107 T108 V113 G114K106-S110 VanDerWaalsContact O-CB 3.27Å; K106-S110 WeakPolarHBondContact O-CB 3.28Å; K106-S110 PolarHBondContact O-N 3.2Å; K106-S110 PolarHBondContact O-OG 3.14Å; K107-S110 PolarHBondContact O-N 3.34Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.2Å; S110-V113 PolarHBondContact O-N 3.47Å; S110-G114 PolarHBondContact O-N 3.37Å
111S90.8Very high87.9Confident74 Ų7475.2 Ų75.252%0.51741%0.411SS..Hα-helixtrans-57.1-54.8174-172.20000110.9K107 T108 M109 V113 G114 V115K107-S111 PolarHBondContact O-N 3.44Å; T108-S111 WeakPolarHBondContact O-CB 3.42Å; T108-S111 PolarHBondContact O-N 3.35Å; M109-S111 VanDerWaalsContact C-N 3.32Å; M109-S111 PolarHBondContact O-N 3.44Å; S111-V113 PolarHBondContact O-N 2.96Å; S111-G114 WeakPolarHBondContact O-CA 3.05Å; S111-G114 PolarHBondContact O-N 3.11Å; S111-V115 PolarHBondContact O-N 2.76Å
112Y92.3Very high87.4Confident13 Ų1373.7 Ų73.75%0.05140%0.403CS..Hα-helixtrans-65.2-35.3179.6-79.3-77000113.6V83 A86 L90 T108 M109 G114 V115 N116 I285 M288 E289V83-Y112 HydrophobicContact CG1-CD1 4.39Å; V83-Y112 HydrophobicContact CG2-CD1 4.34Å; A86-Y112 HydrophobicContact CB-CD1 3.55Å; A86-Y112 HydrophobicContact CB-CD2 4.29Å; A86-Y112 HydrophobicContact CB-CE1 3.47Å; A86-Y112 VanDerWaalsContact CB-CE1 3.47Å; A86-Y112 HydrophobicContact CB-CE2 4.27Å; A86-Y112 HydrophobicContact CB-CG 3.96Å; L90-Y112 HydrophobicContact CD1-CD2 3.86Å; L90-Y112 HydrophobicContact CD1-CG 4.45Å; T108-Y112 HydrophobicContact CG2-CD2 4.11Å; T108-Y112 HydrophobicContact CG2-CE2 4Å; T108-Y112 WeakPolarHBondContact O-CD2 3.09Å; T108-Y112 PolarHBondContact O-N 3.24Å; M109-Y112 PolarHBondContact O-N 3.02Å; Y112-G114 VanDerWaalsContact C-N 3.27Å; Y112-G114 PolarHBondContact O-N 2.78Å; Y112-V115 PolarHBondContact O-N 3.4Å; Y112-N116 VanDerWaalsContact O-CB 3.29Å; Y112-N116 WeakPolarHBondContact O-CB 3.1Å; Y112-N116 PolarHBondContact O-N 3.43Å; Y112-I285 HydrophobicContact CE2-CD1 4.25Å; Y112-I285 HydrophobicContact CE2-CG2 4.05Å; Y112-M288 HydrophobicContact CE1-CE 4.15Å; Y112-M288 WeakPolarHBondContact OH-CE 3.25Å; Y112-E289 VanDerWaalsContact OH-CD 3.25Å; Y112-E289 WeakPolarHBondContact OH-CG 3.38Å; Y112-E289 PolarHBondContact OH-OE1 2.8Å
113V92.1Very high86.8Confident51 Ų5169.9 Ų69.931%0.30939%0.385SS..Hα-helixtrans-63.9-36.8172.4169.30000110.8L87 M109 S110 S111 K117L87-V113 HydrophobicContact CD2-CG2 3.64Å; M109-V113 WeakPolarHBondContact O-CG2 3.17Å; M109-V113 PolarHBondContact O-N 3.38Å; S110-V113 PolarHBondContact O-N 3.47Å; S111-V113 PolarHBondContact O-N 2.96Å; V113-K117 WeakPolarHBondContact O-CG 3.34Å; V113-K117 PolarHBondContact O-N 2.87Å
114G90.2Very high85.8Confident33 Ų3364.5 Ų64.534%0.3436%0.357SS..Hα-helixtrans-60.6-55.5173.500000111.8S110 S111 Y112 N116 K117S110-G114 PolarHBondContact O-N 3.37Å; S111-G114 WeakPolarHBondContact O-CA 3.05Å; S111-G114 PolarHBondContact O-N 3.11Å; Y112-G114 VanDerWaalsContact C-N 3.27Å; Y112-G114 PolarHBondContact O-N 2.78Å; G114-N116 VanDerWaalsContact C-N 3.28Å; G114-N116 PolarHBondContact O-N 3.1Å; G114-K117 WeakPolarHBondContact O-CB 3.08Å; G114-K117 PolarHBondContact O-N 3.38Å; G114-K117 VanDerWaalsContact O-N 3.09Å
115V87.8Confident85Confident47 Ų4762.4 Ų62.429%0.28535%0.346SS..Hα-helixtrans-59-39.9177.7-176.80000111.1V83 S111 Y112 K117 T118 I119V83-V115 HydrophobicContact CG2-CB 4.24Å; V83-V115 HydrophobicContact CG2-CG1 3.65Å; S111-V115 PolarHBondContact O-N 2.76Å; Y112-V115 PolarHBondContact O-N 3.4Å; V115-K117 PolarHBondContact O-N 3.42Å; V115-K117 VanDerWaalsContact O-N 3.13Å; V115-T118 PolarHBondContact O-N 2.82Å; V115-T118 PolarHBondContact O-OG1 3.06Å; V115-I119 PolarHBondContact O-N 3.42Å
116N89.8Confident84.2Confident60 Ų6063.9 Ų63.932%0.32136%0.356SS..Hα-helixtrans-60-30.5179.1-171.268.5000113.2V83 L87 Y112 G114 T118V83-N116 HydrophobicContact CG1-CB 3.55Å; L87-N116 HydrophobicContact CD1-CB 3.82Å; Y112-N116 VanDerWaalsContact O-CB 3.29Å; Y112-N116 WeakPolarHBondContact O-CB 3.1Å; Y112-N116 PolarHBondContact O-N 3.43Å; G114-N116 VanDerWaalsContact C-N 3.28Å; G114-N116 PolarHBondContact O-N 3.1Å; N116-T118 VanDerWaalsContact C-N 3.32Å
117K88.6Confident83.1Confident167 Ų16761 Ų6173%0.72634%0.344SS*.Hα-helixtrans-76.6-19.4178-68.6168.5-177.6178.30113V113 G114 V115V113-K117 WeakPolarHBondContact O-CG 3.34Å; V113-K117 PolarHBondContact O-N 2.87Å; G114-K117 WeakPolarHBondContact O-CB 3.08Å; G114-K117 PolarHBondContact O-N 3.38Å; G114-K117 VanDerWaalsContact O-N 3.09Å; V115-K117 PolarHBondContact O-N 3.42Å; V115-K117 VanDerWaalsContact O-N 3.13Å
118T86.1Confident81.9Confident100 Ų10054 Ų5461%0.61331%0.314SS*.Hα-helixtrans-90.4-11.8179.460.40000112.9V115 N116 V120V115-T118 PolarHBondContact O-N 2.82Å; V115-T118 PolarHBondContact O-OG1 3.06Å; N116-T118 VanDerWaalsContact C-N 3.32Å; T118-V120 PolarHBondContact O-N 2.85Å
119I83.3Confident80.8Confident27 Ų2759.6 Ų59.614%0.13834%0.338CS..  trans-62.2122.9175.8-64.2165.6000109.5E80 V83 V115 P121E80-I119 HydrophobicContact CB-CD1 4.22Å; E80-I119 HydrophobicContact CB-CG2 3.99Å; E80-I119 HydrophobicContact CG-CD1 4.29Å; E80-I119 HydrophobicContact CG-CG2 3.98Å; V83-I119 HydrophobicContact CB-CD1 4.18Å; V83-I119 HydrophobicContact CG1-CD1 4.27Å; V115-I119 PolarHBondContact O-N 3.42Å; I119-P121 VanDerWaalsContact O-CD 3.24Å; I119-P121 WeakPolarHBondContact O-CD 3.49Å
120V77.7Confident79.6Confident59 Ų5965 Ų6536%0.35836%0.363SS..  trans-78.7114.5177.3178.80000109.7T118 N122T118-V120 PolarHBondContact O-N 2.85Å; V120-N122 PolarHBondContact O-N 2.88Å
121P70.5Confident78.2Confident111 Ų11162.6 Ų62.672%0.72135%0.346SS*.THydrogen-bonded Turntrans-61.4133173-1933000109.4I119 F123I119-P121 VanDerWaalsContact O-CD 3.24Å; I119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-F123 PolarHBondContact O-N 3.16Å
122N72.1Confident76.5Confident92 Ų9264.8 Ų64.849%0.49236%0.362SS..THydrogen-bonded Turntrans64.138.5175.5-136.710.3000115.4V120 C124 M125 K152V120-N122 PolarHBondContact O-N 2.88Å; N122-C124 PolarHBondContact O-N 3.16Å; N122-M125 WeakPolarHBondContact O-CB 3.37Å; N122-M125 PolarHBondContact O-N 3.43Å; N122-K152 PolarHBondContact OD1-NZ 3.49Å
123F73.8Confident74.7Confident19 Ų1968.7 Ų68.78%0.08340%0.396CS..Hα-helixtrans-40.7-37.4-178.9173.6-119.6000116.1N72 I73 K76 P121 M125 T126 M127N72-F123 HydrophobicContact CB-CE1 4.18Å; N72-F123 HydrophobicContact CB-CZ 4.16Å; N72-F123 WeakPolarHBondContact O-CE1 3.24Å; I73-F123 HydrophobicContact CG1-CD1 4.44Å; I73-F123 HydrophobicContact CG1-CE1 4.24Å; K76-F123 HydrophobicContact CB-CD1 3.89Å; K76-F123 HydrophobicContact CB-CE1 4.22Å; K76-F123 HydrophobicContact CB-CG 4.24Å; K76-F123 HydrophobicContact CD-CB 4.3Å; K76-F123 HydrophobicContact CD-CD1 3.67Å; K76-F123 HydrophobicContact CD-CD2 3.4Å; K76-F123 HydrophobicContact CD-CE1 3.68Å; K76-F123 HydrophobicContact CD-CE2 3.45Å; K76-F123 VanDerWaalsContact CD-CE2 3.45Å; K76-F123 HydrophobicContact CD-CG 3.5Å; K76-F123 HydrophobicContact CD-CZ 3.55Å; K76-F123 HydrophobicContact CG-CD1 4.09Å; K76-F123 HydrophobicContact CG-CE1 3.99Å; K76-F123 HydrophobicContact CG-CG 4.36Å; K76-F123 HydrophobicContact CG-CZ 4.2Å; K76-F123 VanDerWaalsContact NZ-CD2 3.31Å; P121-F123 PolarHBondContact O-N 3.16Å; F123-M125 VanDerWaalsContact C-N 3.34Å; F123-M125 PolarHBondContact O-N 3.47Å; F123-T126 CarbonylContact O-C 3.58Å; F123-T126 WeakPolarHBondContact O-CA 3.29Å; F123-T126 VanDerWaalsContact O-CB 3.26Å; F123-T126 WeakPolarHBondContact O-CB 3.29Å; F123-T126 PolarHBondContact O-N 3.42Å; F123-T126 VanDerWaalsContact O-N 3.08Å; F123-M127 HydrophobicContact CD1-CG 4.12Å; F123-M127 HydrophobicContact CD1-SD 4.31Å; F123-M127 HydrophobicContact CD2-CG 4.08Å; F123-M127 HydrophobicContact CE1-CG 3.53Å; F123-M127 HydrophobicContact CE1-SD 3.35Å; F123-M127 WeakPolarHBondContact CE1-SD 3.12Å; F123-M127 HydrophobicContact CE2-CG 3.45Å; F123-M127 VanDerWaalsContact CE2-CG 3.45Å; F123-M127 HydrophobicContact CE2-SD 4.2Å; F123-M127 HydrophobicContact CG-CG 4.39Å; F123-M127 HydrophobicContact CZ-CG 3.19Å; F123-M127 HydrophobicContact CZ-SD 3.3Å; F123-M127 WeakPolarHBondContact CZ-SD 3.33Å; F123-M127 PolarHBondContact O-N 3.32Å
124C71.2Confident73.2Confident4 Ų470.3 Ų70.33%0.02740%0.397CS..Hα-helixtrans-60.8-39.7178-69.60000114.1N122 T126 M127 L128 C148N122-C124 PolarHBondContact O-N 3.16Å; C124-T126 VanDerWaalsContact C-N 3.29Å; C124-T126 PolarHBondContact O-N 2.98Å; C124-M127 PolarHBondContact O-N 2.92Å; C124-L128 WeakPolarHBondContact O-CB 3.15Å; C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.35Å; C124-C148 HydrophobicContact CB-CB 3.65Å; C124-C148 WeakPolarHBondContact CB-SG 3.37Å; C124-C148 WeakPolarHBondContact SG-CB 3.36Å; C124-C148 CovalentContact SG-SG 2Å; C124-C148 PolarHBondContact SG-SG 3.25Å
125M70.7Confident72Confident66 Ų6676 Ų7633%0.32542%0.42SS..Hα-helixtrans-65.2-38.5173.8-70-55.2-58.700110.8N122 F123 L128 Q129N122-M125 WeakPolarHBondContact O-CB 3.37Å; N122-M125 PolarHBondContact O-N 3.43Å; F123-M125 VanDerWaalsContact C-N 3.34Å; F123-M125 PolarHBondContact O-N 3.47Å; M125-L128 PolarHBondContact O-N 3.35Å; M125-L128 HydrophobicContact SD-CD1 3.95Å; M125-Q129 WeakPolarHBondContact O-CB 3.48Å; M125-Q129 VanDerWaalsContact O-CG 3.24Å; M125-Q129 WeakPolarHBondContact O-CG 3.48Å; M125-Q129 PolarHBondContact O-N 3Å
126T73.5Confident70.8Confident35 Ų3575 Ų7522%0.21541%0.411CS..Hα-helixtrans-61.1-44.5173.6-46.90000111.4F123 C124 Q129 Q130F123-T126 CarbonylContact O-C 3.58Å; F123-T126 WeakPolarHBondContact O-CA 3.29Å; F123-T126 VanDerWaalsContact O-CB 3.26Å; F123-T126 WeakPolarHBondContact O-CB 3.29Å; F123-T126 PolarHBondContact O-N 3.42Å; F123-T126 VanDerWaalsContact O-N 3.08Å; C124-T126 VanDerWaalsContact C-N 3.29Å; C124-T126 PolarHBondContact O-N 2.98Å; T126-Q129 PolarHBondContact O-N 2.65Å; T126-Q130 WeakPolarHBondContact O-CB 3.41Å; T126-Q130 VanDerWaalsContact O-CG 3.22Å; T126-Q130 WeakPolarHBondContact O-CG 3.47Å; T126-Q130 PolarHBondContact O-N 2.91Å
127M68.5Low70Confident25 Ų2575.9 Ų75.912%0.12342%0.415CS..Hα-helixtrans-63.4-43.6175.6-68.1-152.8-33.900112.4E69 N72 I73 F123 C124 Q129 Q130 S131E69-M127 HydrophobicContact CB-CE 4.2Å; N72-M127 HydrophobicContact CB-SD 3.93Å; I73-M127 HydrophobicContact CD1-CE 3.41Å; I73-M127 VanDerWaalsContact CD1-CE 3.41Å; I73-M127 HydrophobicContact CG1-CE 3.31Å; I73-M127 HydrophobicContact CG1-SD 3.98Å; F123-M127 HydrophobicContact CD1-CG 4.12Å; F123-M127 HydrophobicContact CD1-SD 4.31Å; F123-M127 HydrophobicContact CD2-CG 4.08Å; F123-M127 HydrophobicContact CE1-CG 3.53Å; F123-M127 HydrophobicContact CE1-SD 3.35Å; F123-M127 WeakPolarHBondContact CE1-SD 3.12Å; F123-M127 HydrophobicContact CE2-CG 3.45Å; F123-M127 VanDerWaalsContact CE2-CG 3.45Å; F123-M127 HydrophobicContact CE2-SD 4.2Å; F123-M127 HydrophobicContact CG-CG 4.39Å; F123-M127 HydrophobicContact CZ-CG 3.19Å; F123-M127 HydrophobicContact CZ-SD 3.3Å; F123-M127 WeakPolarHBondContact CZ-SD 3.33Å; F123-M127 PolarHBondContact O-N 3.32Å; C124-M127 PolarHBondContact O-N 2.92Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-Q129 PolarHBondContact O-N 3.09Å; M127-Q130 PolarHBondContact O-N 3.01Å; M127-S131 WeakPolarHBondContact O-CB 3.48Å; M127-S131 PolarHBondContact O-N 3.46Å
128L65.6Low69.3Low17 Ų1772.2 Ų72.29%0.08941%0.407CS..Hα-helixtrans-58.6-44.3177.5-80.5173.2000111.2C124 M125 S131 W136 I144C124-L128 WeakPolarHBondContact O-CB 3.15Å; C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.35Å; M125-L128 PolarHBondContact O-N 3.35Å; M125-L128 HydrophobicContact SD-CD1 3.95Å; L128-S131 PolarHBondContact O-N 3.34Å; L128-W136 HydrophobicContact CD2-CD2 3.99Å; L128-W136 HydrophobicContact CD2-CG 4.11Å; L128-W136 HydrophobicContact CD2-CZ2 4.24Å; L128-I144 HydrophobicContact CD1-CB 4.45Å; L128-I144 HydrophobicContact CD1-CG2 3.83Å; L128-I144 HydrophobicContact CD2-CB 4.15Å; L128-I144 HydrophobicContact CD2-CD1 3.6Å; L128-I144 HydrophobicContact CD2-CG1 4.47Å; L128-I144 HydrophobicContact CD2-CG2 3.72Å; L128-I144 HydrophobicContact CG-CG2 3.81Å
129Q68.1Low68.6Low149 Ų14972.6 Ų72.670%0.69641%0.405SS*.Hα-helixtrans-67.6-34.2177.5-72.2171.1-17.600112.7M125 T126 M127M125-Q129 WeakPolarHBondContact O-CB 3.48Å; M125-Q129 VanDerWaalsContact O-CG 3.24Å; M125-Q129 WeakPolarHBondContact O-CG 3.48Å; M125-Q129 PolarHBondContact O-N 3Å; T126-Q129 PolarHBondContact O-N 2.65Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-Q129 PolarHBondContact O-N 3.09Å
130Q66.9Low67.8Low137 Ų13773.9 Ų73.964%0.6441%0.412SS*.Hα-helixtrans-78.6-25.4178.6-74.3174.6-10.800113.3T126 M127 S132T126-Q130 WeakPolarHBondContact O-CB 3.41Å; T126-Q130 VanDerWaalsContact O-CG 3.22Å; T126-Q130 WeakPolarHBondContact O-CG 3.47Å; T126-Q130 PolarHBondContact O-N 2.91Å; M127-Q130 PolarHBondContact O-N 3.01Å; Q130-S132 PolarHBondContact O-N 3.38Å
131S63.8Low67.4Low28 Ų2875 Ų7520%0.19641%0.414CS..  trans-77.568.4176.8-172.10000110.3M127 L128 A133 R134 W136M127-S131 WeakPolarHBondContact O-CB 3.48Å; M127-S131 PolarHBondContact O-N 3.46Å; L128-S131 PolarHBondContact O-N 3.34Å; S131-A133 PolarHBondContact O-N 2.87Å; S131-A133 VanDerWaalsContact O-N 3.11Å; S131-R134 PolarHBondContact O-N 3.46Å; S131-W136 PolarHBondContact O-NE1 2.97Å
132S55.1Low67.5Low121 Ų12176 Ų7685%0.84641%0.407SS*.THydrogen-bonded Turntrans-60-17.1176.256.60000113.3Q130Q130-S132 PolarHBondContact O-N 3.38Å
133A54Low67.2Low94 Ų9474.3 Ų74.378%0.77740%0.397SS*.THydrogen-bonded Turntrans-82.9-14.7-174.300000114.7S131S131-A133 PolarHBondContact O-N 2.87Å; S131-A133 VanDerWaalsContact O-N 3.11Å
134R60.4Low67Low85 Ų8573.6 Ų73.632%0.32139%0.394SS..SBendtrans-114126.6-176.5-71.5-178.5-173.3170.224.9110.2K64 E69 S131 W136K64-R134 PolarHBondContact O-NH1 2.98Å; E69-R134 VanDerWaalsContact CD-NH1 3.32Å; E69-R134 IonicContact OE1-CZ 3.76Å; E69-R134 IonicContact OE1-NE 2.53Å; E69-R134 IonicContact OE1-NH1 2.66Å; E69-R134 PolarHBondContact OE1-NH1 2.95Å; E69-R134 IonicContact OE1-NH2 3.95Å; E69-R134 PolarHBondContact OE1-NH2 3.16Å; E69-R134 IonicContact OE2-CZ 3.04Å; E69-R134 IonicContact OE2-NH1 3.23Å; E69-R134 PolarHBondContact OE2-NH1 3.37Å; E69-R134 IonicContact OE2-NH2 3.21Å; E69-R134 PolarHBondContact OE2-NH2 3.39Å; E69-R134 VanDerWaalsContact OE2-NH2 3.15Å; S131-R134 PolarHBondContact O-N 3.46Å; R134-W136 HydrophobicContact CB-CD2 3.7Å; R134-W136 VanDerWaalsContact CB-CE2 3.45Å; R134-W136 HydrophobicContact CB-CE3 4.1Å; R134-W136 HydrophobicContact CB-CG 4.21Å; R134-W136 HydrophobicContact CB-CH2 4.26Å; R134-W136 HydrophobicContact CB-CZ2 3.81Å; R134-W136 HydrophobicContact CB-CZ3 4.33Å; R134-W136 HydrophobicContact CG-CH2 4.38Å; R134-W136 HydrophobicContact CG-CZ2 4.15Å; R134-W136 VanDerWaalsContact NH1-CH2 3.32Å; R134-W136 PolarHBondContact O-N 3.43Å
135N64.6Low67.1Low153 Ų15375.7 Ų75.782%0.81841%0.407SS*.  trans-71.981.1168.6-168.811.3000108.2D137N135-D137 VanDerWaalsContact C-N 3.3Å; N135-D137 PolarHBondContact O-N 2.68Å
136W63.6Low67.1Low27 Ų2777 Ų7710%0.10241%0.409CS..  trans-72.786.9177.9-57.8116.6000108.7L128 S131 R134 I140 Q141 I144L128-W136 HydrophobicContact CD2-CD2 3.99Å; L128-W136 HydrophobicContact CD2-CG 4.11Å; L128-W136 HydrophobicContact CD2-CZ2 4.24Å; S131-W136 PolarHBondContact O-NE1 2.97Å; R134-W136 HydrophobicContact CB-CD2 3.7Å; R134-W136 VanDerWaalsContact CB-CE2 3.45Å; R134-W136 HydrophobicContact CB-CE3 4.1Å; R134-W136 HydrophobicContact CB-CG 4.21Å; R134-W136 HydrophobicContact CB-CH2 4.26Å; R134-W136 HydrophobicContact CB-CZ2 3.81Å; R134-W136 HydrophobicContact CB-CZ3 4.33Å; R134-W136 HydrophobicContact CG-CH2 4.38Å; R134-W136 HydrophobicContact CG-CZ2 4.15Å; R134-W136 VanDerWaalsContact NH1-CH2 3.32Å; R134-W136 PolarHBondContact O-N 3.43Å; W136-I140 HydrophobicContact CE3-CB 4.04Å; W136-I140 HydrophobicContact CE3-CG2 3.26Å; W136-I140 HydrophobicContact CZ3-CG2 3.4Å; W136-Q141 HydrophobicContact CB-CG 3.68Å; W136-Q141 PolarHBondContact O-NE2 2.97Å; W136-I144 HydrophobicContact CD2-CD1 4.18Å; W136-I144 HydrophobicContact CE3-CD1 3.62Å; W136-I144 HydrophobicContact CH2-CD1 3.2Å; W136-I144 HydrophobicContact CZ2-CD1 3.87Å; W136-I144 HydrophobicContact CZ3-CD1 3.12Å; W136-I144 HydrophobicContact CZ3-CG1 4.45Å
137D72.2Confident66.8Low77 Ų7775.6 Ų75.641%0.41240%0.401SS..  trans-58.9164.7168.17445.1000110.7N135 N139 I140 Q141N135-D137 VanDerWaalsContact C-N 3.3Å; N135-D137 PolarHBondContact O-N 2.68Å; D137-N139 PolarHBondContact O-N 3.36Å; D137-N139 VanDerWaalsContact O-N 3.12Å; D137-N139 WeakPolarHBondContact OD1-CA 3.35Å; D137-N139 VanDerWaalsContact OD1-CB 3.32Å; D137-N139 WeakPolarHBondContact OD1-CB 3.44Å; D137-N139 PolarHBondContact OD1-N 3.07Å; D137-I140 PolarHBondContact O-N 2.77Å; D137-I140 VanDerWaalsContact O-N 3.12Å; D137-I140 PolarHBondContact OD1-N 3.04Å; D137-Q141 WeakPolarHBondContact O-CG 3.49Å; D137-Q141 PolarHBondContact O-N 3.35Å
138T73.9Confident67.1Low91 Ų9174.6 Ų74.656%0.55840%0.397SS*.Hα-helixtrans-57.3-29.9-176-49.10000113.5K142T138-K142 VanDerWaalsContact O-CG 3.27Å; T138-K142 WeakPolarHBondContact O-CG 3.32Å; T138-K142 PolarHBondContact O-N 2.99Å
139N70.2Confident67.5Low108 Ų10879.4 Ų79.458%0.57842%0.419SS*.Hα-helixtrans-73.9-44.9178.3-67.1-26.5000110.5D137 Q141 K142 D143D137-N139 PolarHBondContact O-N 3.36Å; D137-N139 VanDerWaalsContact O-N 3.12Å; D137-N139 WeakPolarHBondContact OD1-CA 3.35Å; D137-N139 VanDerWaalsContact OD1-CB 3.32Å; D137-N139 WeakPolarHBondContact OD1-CB 3.44Å; D137-N139 PolarHBondContact OD1-N 3.07Å; N139-Q141 VanDerWaalsContact C-N 3.31Å; N139-Q141 PolarHBondContact O-N 3.25Å; N139-K142 WeakPolarHBondContact O-CB 3.36Å; N139-K142 PolarHBondContact O-N 3.21Å; N139-D143 PolarHBondContact O-N 3.47Å
140I66.9Low67.5Low53 Ų5373.7 Ų73.727%0.27239%0.394SS..Hα-helixtrans-65.3-37.3178.7-52167.7000111.1W136 D137 D143 I144W136-I140 HydrophobicContact CE3-CB 4.04Å; W136-I140 HydrophobicContact CE3-CG2 3.26Å; W136-I140 HydrophobicContact CZ3-CG2 3.4Å; D137-I140 PolarHBondContact O-N 2.77Å; D137-I140 VanDerWaalsContact O-N 3.12Å; D137-I140 PolarHBondContact OD1-N 3.04Å; I140-D143 PolarHBondContact O-N 3.01Å; I140-I144 HydrophobicContact CG2-CD1 4.02Å; I140-I144 HydrophobicContact CG2-CG1 4.48Å; I140-I144 WeakPolarHBondContact O-CB 3.18Å; I140-I144 WeakPolarHBondContact O-CG1 3.43Å; I140-I144 PolarHBondContact O-N 3.45Å
141Q70.7Confident67.6Low84 Ų8467.4 Ų67.439%0.39337%0.365SS..Hα-helixtrans-61.3-43.1174.1-68.2-179.213.100112.2W136 D137 N139 I144 T145W136-Q141 HydrophobicContact CB-CG 3.68Å; W136-Q141 PolarHBondContact O-NE2 2.97Å; D137-Q141 WeakPolarHBondContact O-CG 3.49Å; D137-Q141 PolarHBondContact O-N 3.35Å; N139-Q141 VanDerWaalsContact C-N 3.31Å; N139-Q141 PolarHBondContact O-N 3.25Å; Q141-I144 PolarHBondContact O-N 2.87Å; Q141-T145 WeakPolarHBondContact O-CB 2.9Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 2.84Å
142K71.5Confident68.1Low132 Ų13268.6 Ų68.657%0.57437%0.366SS*.Hα-helixtrans-63-46.1176.4-78173-179.8177.40111.3T138 N139 T145 Y146T138-K142 VanDerWaalsContact O-CG 3.27Å; T138-K142 WeakPolarHBondContact O-CG 3.32Å; T138-K142 PolarHBondContact O-N 2.99Å; N139-K142 WeakPolarHBondContact O-CB 3.36Å; N139-K142 PolarHBondContact O-N 3.21Å; K142-T145 PolarHBondContact O-N 2.84Å; K142-Y146 WeakPolarHBondContact O-CB 2.84Å; K142-Y146 PolarHBondContact O-N 2.98Å
143D66.6Low68.8Low55 Ų5567.7 Ų67.729%0.29435%0.347SS..Hα-helixtrans-57.5-54.5176.6-71.1-11.5000109.3M63 N139 I140 T145 Y146 G147M63-D143 HydrophobicContact CE-CB 4.04Å; M63-D143 WeakPolarHBondContact CE-O 3.14Å; N139-D143 PolarHBondContact O-N 3.47Å; I140-D143 PolarHBondContact O-N 3.01Å; D143-T145 VanDerWaalsContact C-N 3.31Å; D143-T145 PolarHBondContact O-N 3.02Å; D143-Y146 WeakPolarHBondContact O-CA 3.17Å; D143-Y146 WeakPolarHBondContact O-CB 3.5Å; D143-Y146 PolarHBondContact O-N 3.14Å; D143-G147 PolarHBondContact O-N 2.63Å
144I68.8Low69.6Low4 Ų464 Ų642%0.02131%0.313CS..Hα-helixtrans-56.3-44.2179.9-74.5172.8000112.5F65 L128 W136 I140 Q141 Y146 G147 C148F65-I144 HydrophobicContact CE1-CB 4.32Å; F65-I144 HydrophobicContact CE1-CG1 3.95Å; F65-I144 HydrophobicContact CE1-CG2 3.8Å; F65-I144 HydrophobicContact CE2-CG1 4.36Å; F65-I144 HydrophobicContact CZ-CB 3.97Å; F65-I144 HydrophobicContact CZ-CG1 3.87Å; F65-I144 HydrophobicContact CZ-CG2 3.67Å; L128-I144 HydrophobicContact CD1-CB 4.45Å; L128-I144 HydrophobicContact CD1-CG2 3.83Å; L128-I144 HydrophobicContact CD2-CB 4.15Å; L128-I144 HydrophobicContact CD2-CD1 3.6Å; L128-I144 HydrophobicContact CD2-CG1 4.47Å; L128-I144 HydrophobicContact CD2-CG2 3.72Å; L128-I144 HydrophobicContact CG-CG2 3.81Å; W136-I144 HydrophobicContact CD2-CD1 4.18Å; W136-I144 HydrophobicContact CE3-CD1 3.62Å; W136-I144 HydrophobicContact CH2-CD1 3.2Å; W136-I144 HydrophobicContact CZ2-CD1 3.87Å; W136-I144 HydrophobicContact CZ3-CD1 3.12Å; W136-I144 HydrophobicContact CZ3-CG1 4.45Å; I140-I144 HydrophobicContact CG2-CD1 4.02Å; I140-I144 HydrophobicContact CG2-CG1 4.48Å; I140-I144 WeakPolarHBondContact O-CB 3.18Å; I140-I144 WeakPolarHBondContact O-CG1 3.43Å; I140-I144 PolarHBondContact O-N 3.45Å; Q141-I144 PolarHBondContact O-N 2.87Å; I144-Y146 VanDerWaalsContact C-N 3.31Å; I144-Y146 PolarHBondContact O-N 3.34Å; I144-G147 PolarHBondContact O-N 2.98Å; I144-C148 WeakPolarHBondContact O-CB 3.44Å; I144-C148 PolarHBondContact O-N 3.26Å; I144-C148 PolarHBondContact O-SG 3.5Å; I144-C148 VanDerWaalsContact O-SG 3.35Å
145T72.9Confident70.3Confident49 Ų4960 Ų6030%0.30130%0.298SS..Hα-helixtrans-59.1-45.5177.2-57.60000110.7Q141 K142 D143 C148 E149Q141-T145 WeakPolarHBondContact O-CB 2.9Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 2.84Å; K142-T145 PolarHBondContact O-N 2.84Å; D143-T145 VanDerWaalsContact C-N 3.31Å; D143-T145 PolarHBondContact O-N 3.02Å; T145-C148 WeakPolarHBondContact O-CB 3.19Å; T145-C148 PolarHBondContact O-N 2.85Å; T145-E149 WeakPolarHBondContact O-CG 3.43Å; T145-E149 PolarHBondContact O-N 2.9Å
146Y71.2Confident70.7Confident94 Ų9457 Ų5737%0.36928%0.279SS..Hα-helixtrans-62-47.3176.1175.9-103.1000112.4L59 K142 D143 I144 C148 E149 V150L59-Y146 HydrophobicContact CB-CE1 4Å; L59-Y146 HydrophobicContact CD1-CE1 4.41Å; K142-Y146 WeakPolarHBondContact O-CB 2.84Å; K142-Y146 PolarHBondContact O-N 2.98Å; D143-Y146 WeakPolarHBondContact O-CA 3.17Å; D143-Y146 WeakPolarHBondContact O-CB 3.5Å; D143-Y146 PolarHBondContact O-N 3.14Å; I144-Y146 VanDerWaalsContact C-N 3.31Å; I144-Y146 PolarHBondContact O-N 3.34Å; Y146-C148 PolarHBondContact O-N 2.87Å; Y146-E149 WeakPolarHBondContact O-CB 3.33Å; Y146-E149 PolarHBondContact O-N 3.4Å; Y146-E149 VanDerWaalsContact O-N 3.08Å; Y146-V150 HydrophobicContact CD1-CG2 4.34Å; Y146-V150 HydrophobicContact CE1-CG2 3.88Å; Y146-V150 HydrophobicContact CE2-CG2 4.16Å; Y146-V150 WeakPolarHBondContact O-CG2 3.48Å; Y146-V150 PolarHBondContact O-N 3.18Å
147G68.1Low70.9Confident5 Ų561.1 Ų61.15%0.05230%0.303CS..Hα-helixtrans-60.9-35.7178.100000112.5D143 I144 V150 L151D143-G147 PolarHBondContact O-N 2.63Å; I144-G147 PolarHBondContact O-N 2.98Å; G147-V150 PolarHBondContact O-N 3.36Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.26Å
148C73.8Confident70.9Confident3 Ų358 Ų582%0.0229%0.285CS..Hα-helixtrans-64.8-42.8171.8-80.40000113.9I73 C124 I144 T145 Y146 V150 L151 K152I73-C148 WeakPolarHBondContact CD1-SG 3.5Å; C124-C148 HydrophobicContact CB-CB 3.65Å; C124-C148 WeakPolarHBondContact CB-SG 3.37Å; C124-C148 WeakPolarHBondContact SG-CB 3.36Å; C124-C148 CovalentContact SG-SG 2Å; C124-C148 PolarHBondContact SG-SG 3.25Å; I144-C148 WeakPolarHBondContact O-CB 3.44Å; I144-C148 PolarHBondContact O-N 3.26Å; I144-C148 PolarHBondContact O-SG 3.5Å; I144-C148 VanDerWaalsContact O-SG 3.35Å; T145-C148 WeakPolarHBondContact O-CB 3.19Å; T145-C148 PolarHBondContact O-N 2.85Å; Y146-C148 PolarHBondContact O-N 2.87Å; C148-V150 VanDerWaalsContact C-N 3.31Å; C148-L151 PolarHBondContact O-N 2.9Å; C148-K152 WeakPolarHBondContact O-CG 3.46Å; C148-K152 PolarHBondContact O-N 3.37Å
149E75.2Confident71.1Confident118 Ų11854 Ų5455%0.55126%0.26SS*.Hα-helixtrans-62.5-41.3175.4-73.1178.5170.900111.3T145 Y146 K152 K153T145-E149 WeakPolarHBondContact O-CG 3.43Å; T145-E149 PolarHBondContact O-N 2.9Å; Y146-E149 WeakPolarHBondContact O-CB 3.33Å; Y146-E149 PolarHBondContact O-N 3.4Å; Y146-E149 VanDerWaalsContact O-N 3.08Å; E149-K152 PolarHBondContact O-N 3.18Å; E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 PolarHBondContact O-N 2.8Å
150V67.6Low71.4Confident29 Ų2950.2 Ų50.218%0.17625%0.247CC..Hα-helixtrans-60.2-46.3174.6173.10000110.8L55 L59 Y146 G147 C148 K153 Y154L55-V150 HydrophobicContact CD1-CG1 3.85Å; L55-V150 HydrophobicContact CD2-CG1 4.4Å; L59-V150 HydrophobicContact CD1-CG1 4.32Å; L59-V150 HydrophobicContact CD1-CG2 4.16Å; Y146-V150 HydrophobicContact CD1-CG2 4.34Å; Y146-V150 HydrophobicContact CE1-CG2 3.88Å; Y146-V150 HydrophobicContact CE2-CG2 4.16Å; Y146-V150 WeakPolarHBondContact O-CG2 3.48Å; Y146-V150 PolarHBondContact O-N 3.18Å; G147-V150 PolarHBondContact O-N 3.36Å; C148-V150 VanDerWaalsContact C-N 3.31Å; V150-K153 PolarHBondContact O-N 2.86Å; V150-Y154 PolarHBondContact O-N 2.96Å
151L68.2Low71.4Confident5 Ų550.9 Ų50.93%0.02626%0.26CS..Hα-helixtrans-63-42177.5-75.6174000112.4Y52 I73 L74 G147 C148 Y154 S155Y52-L151 HydrophobicContact CD2-CD1 4.34Å; Y52-L151 HydrophobicContact CD2-CD2 3.69Å; Y52-L151 HydrophobicContact CD2-CG 4.25Å; Y52-L151 HydrophobicContact CE2-CD1 3.96Å; Y52-L151 HydrophobicContact CE2-CD2 4.16Å; Y52-L151 HydrophobicContact CE2-CG 4.25Å; I73-L151 HydrophobicContact CB-CD1 3.84Å; I73-L151 HydrophobicContact CD1-CD1 4.45Å; I73-L151 HydrophobicContact CG2-CB 4.07Å; I73-L151 HydrophobicContact CG2-CD1 3.49Å; I73-L151 VanDerWaalsContact CG2-CD1 3.49Å; I73-L151 HydrophobicContact CG2-CG 4.44Å; L74-L151 HydrophobicContact CD1-CD2 4.24Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.26Å; C148-L151 PolarHBondContact O-N 2.9Å; L151-Y154 WeakPolarHBondContact O-CB 3.24Å; L151-Y154 PolarHBondContact O-N 3.39Å; L151-S155 PolarHBondContact O-N 3.3Å; L151-S155 VanDerWaalsContact O-N 3.16Å; L151-S155 PolarHBondContact O-OG 3.01Å
152K74.1Confident71.6Confident54 Ų5447.4 Ų47.424%0.23524%0.244CC..Hα-helixtrans-62.4-45174.4-74.7176.8-179.2177.70111.9S77 N122 C148 E149 Y154 S155 E156S77-K152 WeakPolarHBondContact OG-CA 3.35Å; N122-K152 PolarHBondContact OD1-NZ 3.49Å; C148-K152 WeakPolarHBondContact O-CG 3.46Å; C148-K152 PolarHBondContact O-N 3.37Å; E149-K152 PolarHBondContact O-N 3.18Å; K152-Y154 VanDerWaalsContact C-N 3.26Å; K152-Y154 PolarHBondContact O-N 2.87Å; K152-S155 PolarHBondContact O-N 3.44Å; K152-E156 WeakPolarHBondContact O-CB 3.31Å; K152-E156 PolarHBondContact O-N 3.44Å
153K71.2Confident72.1Confident102 Ų10244.8 Ų44.844%0.44323%0.232SC..Hα-helixtrans-61.3-38.7179-166.974.2-156.6161.30111.6E149 V150 E156 L157E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 PolarHBondContact O-N 2.8Å; V150-K153 PolarHBondContact O-N 2.86Å; K153-E156 WeakPolarHBondContact CD-OE2 3.37Å; K153-E156 WeakPolarHBondContact CE-OE2 3.33Å; K153-E156 IonicContact NZ-OE1 4Å; K153-E156 PolarHBondContact NZ-OE1 3.17Å; K153-E156 IonicContact NZ-OE2 3.61Å; K153-E156 PolarHBondContact NZ-OE2 3.06Å; K153-E156 PolarHBondContact O-N 2.91Å; K153-L157 HydrophobicContact CG-CD1 4.44Å; K153-L157 VanDerWaalsContact O-CG 3.32Å; K153-L157 WeakPolarHBondContact O-CG 3.3Å; K153-L157 PolarHBondContact O-N 3.45Å
154Y70.4Confident72.6Confident16 Ų1649.1 Ų49.16%0.06325%0.248CC..Hα-helixtrans-59.6-54.4174.7171.5-93.6000111.8T13 I16 H51 L74 V150 L151 K152 E156 L157 K158T13-Y154 HydrophobicContact CG2-CE2 4.18Å; I16-Y154 WeakPolarHBondContact CB-OH 3.43Å; I16-Y154 HydrophobicContact CD1-CE2 4.46Å; I16-Y154 WeakPolarHBondContact CG2-OH 3.5Å; H51-Y154 AromaticContact CE1-CD2 3.41Å; H51-Y154 VanDerWaalsContact CE1-CD2 3.41Å; H51-Y154 WeakPolarHBondContact CE1-CD2 2.79Å; H51-Y154 AromaticContact CE1-CE2 3.69Å; H51-Y154 AromaticContact ND1-CD2 3.83Å; H51-Y154 AromaticContact ND1-CE2 3.87Å; L74-Y154 HydrophobicContact CD1-CD1 4.44Å; V150-Y154 PolarHBondContact O-N 2.96Å; L151-Y154 WeakPolarHBondContact O-CB 3.24Å; L151-Y154 PolarHBondContact O-N 3.39Å; K152-Y154 VanDerWaalsContact C-N 3.26Å; K152-Y154 PolarHBondContact O-N 2.87Å; Y154-E156 VanDerWaalsContact C-N 3.3Å; Y154-E156 PolarHBondContact O-N 3.33Å; Y154-L157 PolarHBondContact O-N 3.39Å; Y154-K158 PolarHBondContact O-N 3.4Å; Y154-K158 VanDerWaalsContact O-N 3.11Å
155S74Confident72.8Confident0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-60.6-40.4178.1-59.90000111.6S77 E78 L151 K152 L157 K158 W159S77-S155 WeakPolarHBondContact OG-CB 3.46Å; S77-S155 PolarHBondContact OG-OG 3.01Å; E78-S155 WeakPolarHBondContact OE1-CB 3.39Å; E78-S155 PolarHBondContact OE1-OG 2.78Å; L151-S155 PolarHBondContact O-N 3.3Å; L151-S155 VanDerWaalsContact O-N 3.16Å; L151-S155 PolarHBondContact O-OG 3.01Å; K152-S155 PolarHBondContact O-N 3.44Å; S155-L157 PolarHBondContact O-N 2.93Å; S155-K158 PolarHBondContact O-N 3.18Å; S155-W159 WeakPolarHBondContact O-CB 3.43Å; S155-W159 PolarHBondContact O-N 3.33Å
156E74.1Confident73.3Confident91 Ų9149.3 Ų49.343%0.42525%0.248SC..Hα-helixtrans-57.4-46.9176.2-169.8-162.2159.600112.4K152 K153 Y154 G160K152-E156 WeakPolarHBondContact O-CB 3.31Å; K152-E156 PolarHBondContact O-N 3.44Å; K153-E156 WeakPolarHBondContact CD-OE2 3.37Å; K153-E156 WeakPolarHBondContact CE-OE2 3.33Å; K153-E156 IonicContact NZ-OE1 4Å; K153-E156 PolarHBondContact NZ-OE1 3.17Å; K153-E156 IonicContact NZ-OE2 3.61Å; K153-E156 PolarHBondContact NZ-OE2 3.06Å; K153-E156 PolarHBondContact O-N 2.91Å; Y154-E156 VanDerWaalsContact C-N 3.3Å; Y154-E156 PolarHBondContact O-N 3.33Å; E156-G160 WeakPolarHBondContact O-CA 3.27Å; E156-G160 PolarHBondContact O-N 2.85Å
157L68Low73.9Confident114 Ų11447 Ų4760%0.59724%0.241SC*.Hα-helixtrans-64.5-45.4-179.9-74.6170.7000111.6K153 Y154 S155 G160 A161K153-L157 HydrophobicContact CG-CD1 4.44Å; K153-L157 VanDerWaalsContact O-CG 3.32Å; K153-L157 WeakPolarHBondContact O-CG 3.3Å; K153-L157 PolarHBondContact O-N 3.45Å; Y154-L157 PolarHBondContact O-N 3.39Å; S155-L157 PolarHBondContact O-N 2.93Å; L157-G160 PolarHBondContact O-N 3.41Å; L157-A161 PolarHBondContact O-N 2.92Å
158K72.3Confident74.3Confident11 Ų1152 Ų525%0.04826%0.264CS..Hα-helixtrans-59.5-56.9178.8-178.8-169.9169.9-159.40111.4Y44 E78 Y154 S155 G160 A161 R162 E291 K295Y44-K158 PolarHBondContact OH-NZ 2.96Å; E78-K158 IonicContact OE2-NZ 2.58Å; E78-K158 PolarHBondContact OE2-NZ 3.18Å; E78-K158 VanDerWaalsContact OE2-NZ 3.14Å; Y154-K158 PolarHBondContact O-N 3.4Å; Y154-K158 VanDerWaalsContact O-N 3.11Å; S155-K158 PolarHBondContact O-N 3.18Å; K158-G160 VanDerWaalsContact C-N 3.28Å; K158-G160 PolarHBondContact O-N 3.35Å; K158-A161 PolarHBondContact O-N 3.48Å; K158-R162 PolarHBondContact O-N 3.41Å; K158-E291 WeakPolarHBondContact CE-OE1 3.2Å; K158-E291 IonicContact NZ-OE1 3.53Å; K158-E291 PolarHBondContact NZ-OE1 3.11Å; K158-K295 VanDerWaalsContact NZ-CE 3.34Å
159W78.4Confident74.7Confident6 Ų652.4 Ų52.42%0.02327%0.267CS..Hα-helixtrans-69.3-27.8-179.3-72.5105.8000112.5E78 H81 Q82 W85 S155 R162 K163 M288 V292E78-W159 PolarHBondContact OE2-NE1 3Å; H81-W159 HydrophobicContact CB-CB 3.9Å; H81-W159 HydrophobicContact CB-CG 3.67Å; Q82-W159 HydrophobicContact CB-CD2 4.42Å; Q82-W159 HydrophobicContact CB-CH2 3.83Å; Q82-W159 HydrophobicContact CB-CZ2 3.53Å; Q82-W159 HydrophobicContact CB-CZ3 4.36Å; Q82-W159 HydrophobicContact CG-CH2 3.57Å; Q82-W159 HydrophobicContact CG-CZ2 3.77Å; Q82-W159 HydrophobicContact CG-CZ3 4.14Å; W85-W159 HydrophobicContact CB-CE3 3.89Å; W85-W159 HydrophobicContact CD2-CZ3 4.46Å; W85-W159 AromaticContact CG-CE3 3.97Å; W85-W159 HydrophobicContact CG-CE3 3.97Å; W85-W159 HydrophobicContact CG-CZ3 4.36Å; S155-W159 WeakPolarHBondContact O-CB 3.43Å; S155-W159 PolarHBondContact O-N 3.33Å; W159-R162 HydrophobicContact CE3-CG 4.43Å; W159-K163 VanDerWaalsContact O-CB 3.24Å; W159-K163 WeakPolarHBondContact O-CB 3.01Å; W159-K163 PolarHBondContact O-N 3Å; W159-M288 HydrophobicContact CH2-CG 3.75Å; W159-M288 HydrophobicContact CH2-SD 4.09Å; W159-M288 HydrophobicContact CZ3-CG 3.53Å; W159-M288 HydrophobicContact CZ3-SD 3.94Å; W159-V292 HydrophobicContact CH2-CG2 4.03Å; W159-V292 HydrophobicContact CZ2-CG2 3.8Å
160G75.1Confident75Confident29 Ų2946.9 Ų46.930%0.29924%0.241SC..Hα-helixtrans-64.5-44.5173.200000112.9E156 L157 K158 K164E156-G160 WeakPolarHBondContact O-CA 3.27Å; E156-G160 PolarHBondContact O-N 2.85Å; L157-G160 PolarHBondContact O-N 3.41Å; K158-G160 VanDerWaalsContact C-N 3.28Å; K158-G160 PolarHBondContact O-N 3.35Å; G160-K164 PolarHBondContact O-N 3.24Å
161A68.3Low75.5Confident68 Ų6854.3 Ų54.356%0.56227%0.266SS*.Hα-helixtrans-63-46.2175.100000111.1L157 K158 K164 L165L157-A161 PolarHBondContact O-N 2.92Å; K158-A161 PolarHBondContact O-N 3.48Å; A161-K164 WeakPolarHBondContact O-CB 3.34Å; A161-K164 PolarHBondContact O-N 2.93Å; A161-L165 PolarHBondContact O-N 2.97Å
162R73.3Confident75.8Confident10 Ų1060.6 Ų60.64%0.03829%0.29CS..Hα-helixtrans-58.6-52.1177.5-178.559.5-168-87.7-17.4112.1L21 E24 K158 W159 K164 L165 D166 E291L21-R162 VanDerWaalsContact CD2-CD 3.42Å; E24-R162 IonicContact OE1-CZ 3.16Å; E24-R162 IonicContact OE1-NE 2.75Å; E24-R162 IonicContact OE1-NH1 2.9Å; E24-R162 PolarHBondContact OE1-NH1 3.4Å; E24-R162 VanDerWaalsContact OE1-NH1 3.1Å; E24-R162 IonicContact OE1-NH2 3.31Å; E24-R162 PolarHBondContact OE1-NH2 3.36Å; K158-R162 PolarHBondContact O-N 3.41Å; W159-R162 HydrophobicContact CE3-CG 4.43Å; R162-K164 PolarHBondContact O-N 3.13Å; R162-K164 VanDerWaalsContact O-N 3.17Å; R162-L165 WeakPolarHBondContact O-CB 3.47Å; R162-L165 PolarHBondContact O-N 3.2Å; R162-D166 VanDerWaalsContact CD-OD2 3.3Å; R162-D166 WeakPolarHBondContact CD-OD2 3.24Å; R162-D166 WeakPolarHBondContact CG-OD2 3.15Å; R162-D166 IonicContact CZ-OD2 3.4Å; R162-D166 IonicContact NE-OD1 2.73Å; R162-D166 PolarHBondContact NE-OD1 2.73Å; R162-D166 IonicContact NE-OD2 3.1Å; R162-D166 PolarHBondContact NE-OD2 3.27Å; R162-D166 IonicContact NH2-OD1 2.75Å; R162-D166 IonicContact NH2-OD2 2.61Å; R162-D166 PolarHBondContact O-N 2.8Å; R162-E291 IonicContact NH1-OE2 3.85Å; R162-E291 PolarHBondContact NH1-OE2 3.47Å; R162-E291 VanDerWaalsContact NH1-OE2 3.16Å
163K82Confident75.9Confident78 Ų7858.4 Ų58.434%0.33928%0.281SS..Hα-helixtrans-50.1-45.7175.9-176.2177.864.1-176.20111.9W85 N88 W159 L165 L167W85-K163 VanDerWaalsContact CD1-N 3.29Å; N88-K163 HydrophobicContact CB-CD 4.13Å; W159-K163 VanDerWaalsContact O-CB 3.24Å; W159-K163 WeakPolarHBondContact O-CB 3.01Å; W159-K163 PolarHBondContact O-N 3Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 2.86Å; K163-L167 HydrophobicContact CD-CD1 4.39Å; K163-L167 HydrophobicContact CG-CD1 3.75Å; K163-L167 HydrophobicContact CG-CG 4.2Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.16Å; K163-L167 PolarHBondContact O-N 3.32Å
164K77.1Confident76Confident145 Ų14557.4 Ų57.463%0.6328%0.28SS*.Hα-helixtrans-62.1-43.7-178.1-172179.4178.5-176.80111.3G160 A161 R162 M168G160-K164 PolarHBondContact O-N 3.24Å; A161-K164 WeakPolarHBondContact O-CB 3.34Å; A161-K164 PolarHBondContact O-N 2.93Å; R162-K164 PolarHBondContact O-N 3.13Å; R162-K164 VanDerWaalsContact O-N 3.17Å; K164-M168 HydrophobicContact CG-SD 4.33Å; K164-M168 VanDerWaalsContact O-CG 3.24Å; K164-M168 WeakPolarHBondContact O-CG 3.21Å; K164-M168 PolarHBondContact O-N 3.35Å; K164-M168 VanDerWaalsContact O-N 3.15Å
165L74.4Confident75.2Confident54 Ų5460.1 Ų60.128%0.28331%0.313SS..Hα-helixtrans-62.9-51.7178.6-175.666.9000111.2L21 A161 R162 K163 L167 M168 T169 E265L21-L165 HydrophobicContact CD2-CD2 3.86Å; A161-L165 PolarHBondContact O-N 2.97Å; R162-L165 WeakPolarHBondContact O-CB 3.47Å; R162-L165 PolarHBondContact O-N 3.2Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 2.86Å; L165-L167 PolarHBondContact O-N 2.89Å; L165-M168 WeakPolarHBondContact O-CB 3.33Å; L165-M168 PolarHBondContact O-N 3.21Å; L165-M168 VanDerWaalsContact O-N 3.08Å; L165-T169 PolarHBondContact O-N 2.5Å; L165-T169 PolarHBondContact O-OG1 3.45Å; L165-E265 HydrophobicContact CD2-CG 4.14Å
166D82.8Confident74Confident4 Ų461.6 Ų61.62%0.02132%0.323CS..Hα-helixtrans-66.6-37.7-175.2-59.4-53.7000112.7W85 Y89 R162 M168 T169 I170W85-D166 VanDerWaalsContact CE2-OD2 3.24Å; W85-D166 HydrophobicContact CZ2-CB 4.07Å; W85-D166 WeakPolarHBondContact CZ2-OD2 3.49Å; W85-D166 PolarHBondContact NE1-OD2 3.45Å; Y89-D166 HydrophobicContact CD2-CB 3.72Å; Y89-D166 HydrophobicContact CE2-CB 3.93Å; R162-D166 VanDerWaalsContact CD-OD2 3.3Å; R162-D166 WeakPolarHBondContact CD-OD2 3.24Å; R162-D166 WeakPolarHBondContact CG-OD2 3.15Å; R162-D166 IonicContact CZ-OD2 3.4Å; R162-D166 IonicContact NE-OD1 2.73Å; R162-D166 PolarHBondContact NE-OD1 2.73Å; R162-D166 IonicContact NE-OD2 3.1Å; R162-D166 PolarHBondContact NE-OD2 3.27Å; R162-D166 IonicContact NH2-OD1 2.75Å; R162-D166 IonicContact NH2-OD2 2.61Å; R162-D166 PolarHBondContact O-N 2.8Å; D166-M168 VanDerWaalsContact C-N 3.3Å; D166-M168 PolarHBondContact O-N 3.39Å; D166-T169 WeakPolarHBondContact O-CB 3.1Å; D166-T169 PolarHBondContact O-N 3.15Å; D166-I170 PolarHBondContact O-N 3.18Å
167L82.5Confident72.7Confident44 Ų4459.9 Ų59.923%0.2332%0.317CS..Hα-helixtrans-66.5-32.4174.4-68.4-178.2000112.2A92 K163 L165 I170 R171A92-L167 HydrophobicContact CB-CD2 3.35Å; K163-L167 HydrophobicContact CD-CD1 4.39Å; K163-L167 HydrophobicContact CG-CD1 3.75Å; K163-L167 HydrophobicContact CG-CG 4.2Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.16Å; K163-L167 PolarHBondContact O-N 3.32Å; L165-L167 PolarHBondContact O-N 2.89Å; L167-I170 HydrophobicContact CD2-CD1 4.28Å; L167-R171 WeakPolarHBondContact O-CG 3.08Å; L167-R171 PolarHBondContact O-N 3.36Å
168M78.4Confident71.5Confident110 Ų11064 Ų6454%0.54233%0.333SS..Hα-helixtrans-67.6-42.3170.9-74.3174.960.100110.9K164 L165 D166 I170 R171 W172K164-M168 HydrophobicContact CG-SD 4.33Å; K164-M168 VanDerWaalsContact O-CG 3.24Å; K164-M168 WeakPolarHBondContact O-CG 3.21Å; K164-M168 PolarHBondContact O-N 3.35Å; K164-M168 VanDerWaalsContact O-N 3.15Å; L165-M168 WeakPolarHBondContact O-CB 3.33Å; L165-M168 PolarHBondContact O-N 3.21Å; L165-M168 VanDerWaalsContact O-N 3.08Å; D166-M168 VanDerWaalsContact C-N 3.3Å; D166-M168 PolarHBondContact O-N 3.39Å; M168-I170 PolarHBondContact O-N 3.21Å; M168-R171 PolarHBondContact O-N 2.79Å; M168-W172 PolarHBondContact O-N 3.36Å
169T80.4Confident70.3Confident13 Ų1370.1 Ų70.18%0.0837%0.366CS..Hα-helixtrans-60.6-43.6176.8-60.90000112L165 D166 R171 W172 L173 I269 L272L165-T169 PolarHBondContact O-N 2.5Å; L165-T169 PolarHBondContact O-OG1 3.45Å; D166-T169 WeakPolarHBondContact O-CB 3.1Å; D166-T169 PolarHBondContact O-N 3.15Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 PolarHBondContact O-N 2.82Å; T169-W172 PolarHBondContact O-N 3.4Å; T169-L173 HydrophobicContact CG2-CD1 3.68Å; T169-L173 HydrophobicContact CG2-CG 4.16Å; T169-L173 WeakPolarHBondContact O-CB 3.47Å; T169-L173 WeakPolarHBondContact O-CG 3.18Å; T169-L173 PolarHBondContact O-N 3.31Å; T169-I269 HydrophobicContact CG2-CG1 4.03Å; T169-I269 HydrophobicContact CG2-CG2 4.04Å; T169-L272 HydrophobicContact CG2-CD1 4.23Å
170I82.2Confident68.7Low2 Ų272.1 Ų72.11%0.0139%0.389CS..Hα-helixtrans-54.1-48.4174.2-73.4173.9000110.8Y89 A92 A93 T96 W97 D166 L167 M168 N174Y89-I170 HydrophobicContact CD2-CD1 3.54Å; Y89-I170 HydrophobicContact CD2-CG1 4.27Å; Y89-I170 HydrophobicContact CE2-CD1 3.4Å; Y89-I170 VanDerWaalsContact CE2-CD1 3.4Å; Y89-I170 HydrophobicContact CE2-CG1 3.67Å; Y89-I170 HydrophobicContact CG-CD1 4.22Å; A92-I170 HydrophobicContact CB-CD1 3.8Å; A93-I170 HydrophobicContact CB-CD1 4.11Å; T96-I170 HydrophobicContact CG2-CG2 3.82Å; T96-I170 WeakPolarHBondContact OG1-CG2 3.49Å; W97-I170 HydrophobicContact CH2-CB 4.47Å; W97-I170 HydrophobicContact CH2-CG1 3.87Å; W97-I170 HydrophobicContact CZ2-CB 4.24Å; W97-I170 HydrophobicContact CZ2-CG1 4.15Å; W97-I170 HydrophobicContact CZ2-CG2 4.11Å; W97-I170 HydrophobicContact CZ3-CG1 4.48Å; D166-I170 PolarHBondContact O-N 3.18Å; L167-I170 HydrophobicContact CD2-CD1 4.28Å; M168-I170 PolarHBondContact O-N 3.21Å; I170-N174 PolarHBondContact O-N 3.09Å; I170-N174 VanDerWaalsContact O-N 3.17Å
171R77.5Confident67.6Low185 Ų18576.4 Ų76.470%0.69840%0.401SS*.Hα-helixtrans-65.8-41-179.4-68.1174-175.3-179.10.9112.1L167 M168 T169 N174L167-R171 WeakPolarHBondContact O-CG 3.08Å; L167-R171 PolarHBondContact O-N 3.36Å; M168-R171 PolarHBondContact O-N 2.79Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 PolarHBondContact O-N 2.82Å; R171-N174 VanDerWaalsContact O-CB 3.31Å; R171-N174 WeakPolarHBondContact O-CB 3.08Å; R171-N174 PolarHBondContact O-N 2.86Å
172W74.7Confident66.9Low137 Ų13773.7 Ų73.752%0.51938%0.378SS..Hα-helixtrans-68.5-39.9-179.3-173.741.8000112.1M168 T169 N174 G175 I269 K273M168-W172 PolarHBondContact O-N 3.36Å; T169-W172 PolarHBondContact O-N 3.4Å; W172-N174 PolarHBondContact O-N 2.95Å; W172-G175 PolarHBondContact O-N 2.99Å; W172-I269 HydrophobicContact CE3-CB 4.32Å; W172-I269 HydrophobicContact CE3-CD1 4.4Å; W172-I269 HydrophobicContact CE3-CG2 3.29Å; W172-I269 HydrophobicContact CH2-CG2 4.25Å; W172-I269 HydrophobicContact CZ3-CB 3.79Å; W172-I269 HydrophobicContact CZ3-CD1 4.18Å; W172-I269 HydrophobicContact CZ3-CG2 3.1Å; W172-K273 VanDerWaalsContact CZ2-NZ 3.3Å
173L77.6Confident66Low8 Ų879.7 Ų79.74%0.04241%0.407CS..Hα-helixtrans-73.3-9.7176-66.7177.4000113.5W97 T169 G175 S176 I269 L272 K273 R280W97-L173 HydrophobicContact CZ2-CB 4.17Å; T169-L173 HydrophobicContact CG2-CD1 3.68Å; T169-L173 HydrophobicContact CG2-CG 4.16Å; T169-L173 WeakPolarHBondContact O-CB 3.47Å; T169-L173 WeakPolarHBondContact O-CG 3.18Å; T169-L173 PolarHBondContact O-N 3.31Å; L173-G175 VanDerWaalsContact C-N 3.26Å; L173-S176 PolarHBondContact O-OG 3.36Å; L173-I269 HydrophobicContact CD2-CG2 4.04Å; L173-I269 HydrophobicContact CG-CG2 4.37Å; L173-L272 HydrophobicContact CD1-CB 3.79Å; L173-L272 HydrophobicContact CD1-CD1 4.21Å; L173-K273 HydrophobicContact CD2-CB 4.43Å; L173-K273 HydrophobicContact CD2-CG 3.49Å; L173-K273 VanDerWaalsContact CD2-CG 3.49Å; L173-R280 PolarHBondContact O-NH1 3.48Å
174N71.7Confident64.9Low80 Ų8079.7 Ų79.743%0.42841%0.408SS..THydrogen-bonded Turntrans-76.4-13.6167.3-160.549000112.6T96 I170 R171 W172 S176T96-N174 HydrophobicContact CG2-CB 3.66Å; T96-N174 VanDerWaalsContact CG2-CG 3.45Å; I170-N174 PolarHBondContact O-N 3.09Å; I170-N174 VanDerWaalsContact O-N 3.17Å; R171-N174 VanDerWaalsContact O-CB 3.31Å; R171-N174 WeakPolarHBondContact O-CB 3.08Å; R171-N174 PolarHBondContact O-N 2.86Å; W172-N174 PolarHBondContact O-N 2.95Å; N174-S176 PolarHBondContact O-N 3.3Å
175G55.4Low64.1Low73 Ų7375 Ų7575%0.75339%0.389SS*.  trans-68.973170.800000110.6W172 L173W172-G175 PolarHBondContact O-N 2.99Å; L173-G175 VanDerWaalsContact C-N 3.26Å
176S47.8Very low63.4Low32 Ų3278 Ų7822%0.22441%0.414CS..  trans-115.1163-175.8-65.40000108.5L173 N174 Q181L173-S176 PolarHBondContact O-OG 3.36Å; N174-S176 PolarHBondContact O-N 3.3Å; S176-Q181 VanDerWaalsContact CB-O 3.3Å; S176-Q181 WeakPolarHBondContact CB-O 3.33Å
177D47.1Very low62.3Low54 Ų5480.2 Ų80.229%0.28943%0.426SS..  trans-63.8-174.8-18061.627.8000112.8N179 G180 Q181 Q183D177-N179 PolarHBondContact O-N 3.4Å; D177-N179 PolarHBondContact OD1-N 3.25Å; D177-N179 VanDerWaalsContact OD1-N 3.16Å; D177-G180 PolarHBondContact O-N 3.4Å; D177-Q181 VanDerWaalsContact CG-O 3.31Å; D177-Q181 PolarHBondContact N-O 3.16Å; D177-Q183 HydrophobicContact CB-CG 3.78Å; D177-Q183 WeakPolarHBondContact OD2-CG 3.43Å
178E43.3Very low61.6Low201 Ų20182.8 Ų82.894%0.93944%0.436SS*.THydrogen-bonded Turntrans-52.5-20-175.1-55.8-178.1-161.600114.1
179N45.4Very low61.6Low139 Ų13979 Ų7974%0.74343%0.425SS*.THydrogen-bonded Turntrans-102.18.1179.1-65.8-41.3000114.1D177 Q181D177-N179 PolarHBondContact O-N 3.4Å; D177-N179 PolarHBondContact OD1-N 3.25Å; D177-N179 VanDerWaalsContact OD1-N 3.16Å; N179-Q181 PolarHBondContact O-N 2.82Å; N179-Q181 VanDerWaalsContact O-N 3.13Å
180G46.6Very low61.5Low48 Ų4886.2 Ų86.250%0.49546%0.455SS..SBendtrans66.411.5-178.900000113.5D177D177-G180 PolarHBondContact O-N 3.4Å
181Q50.6Low61.5Low119 Ų11990.1 Ų90.156%0.55648%0.476SS*.SBendtrans-95.8138.9174.9-67-164.4-400108.9S176 D177 N179 Q183 I185S176-Q181 VanDerWaalsContact CB-O 3.3Å; S176-Q181 WeakPolarHBondContact CB-O 3.33Å; D177-Q181 VanDerWaalsContact CG-O 3.31Å; D177-Q181 PolarHBondContact N-O 3.16Å; N179-Q181 PolarHBondContact O-N 2.82Å; N179-Q181 VanDerWaalsContact O-N 3.13Å; Q181-Q183 PolarHBondContact O-N 3.22Å; Q181-Q183 VanDerWaalsContact O-N 3.14Å; Q181-I185 HydrophobicContact CB-CD1 4.27Å
182S53.5Low61.7Low12 Ų1282.9 Ų82.98%0.08445%0.449CS..  trans-61.6124.1165.7159.80000107H184 I185 K273S182-H184 PolarHBondContact O-N 2.98Å; S182-H184 WeakPolarHBondContact OG-CB 3.41Å; S182-H184 PolarHBondContact OG-N 3.09Å; S182-I185 WeakPolarHBondContact O-CG1 3.25Å; S182-I185 PolarHBondContact O-N 3.25Å; S182-K273 WeakPolarHBondContact CB-O 3.47Å; S182-K273 PolarHBondContact OG-O 3.24Å
183Q55.4Low62.2Low136 Ų13681.2 Ų81.264%0.63645%0.447SS*.THydrogen-bonded Turntrans-51.3-14.5173.8-72.9179-11.200112.9D177 Q181D177-Q183 HydrophobicContact CB-CG 3.78Å; D177-Q183 WeakPolarHBondContact OD2-CG 3.43Å; Q181-Q183 PolarHBondContact O-N 3.22Å; Q181-Q183 VanDerWaalsContact O-N 3.14Å
184H59.5Low62.5Low78 Ų7881.7 Ų81.736%0.36145%0.451SS..THydrogen-bonded Turntrans-93.9-8.3-178.2-53.4-62.3000114.8S182 S186 D187 F274S182-H184 PolarHBondContact O-N 2.98Å; S182-H184 WeakPolarHBondContact OG-CB 3.41Å; S182-H184 PolarHBondContact OG-N 3.09Å; H184-S186 PolarHBondContact O-N 3.5Å; H184-D187 PolarHBondContact O-N 3.24Å; H184-F274 HydrophobicContact CB-CD1 3.61Å; H184-F274 HydrophobicContact CB-CE1 3.69Å; H184-F274 HydrophobicContact CB-CG 4.16Å; H184-F274 HydrophobicContact CB-CZ 4.28Å
185I59.6Low63.2Low45 Ų4581.1 Ų81.123%0.23144%0.444CS..THydrogen-bonded Turntrans-63.1-34.2-176.2-65.4169.9000111.2Q181 S182 D187Q181-I185 HydrophobicContact CB-CD1 4.27Å; S182-I185 WeakPolarHBondContact O-CG1 3.25Å; S182-I185 PolarHBondContact O-N 3.25Å; I185-D187 PolarHBondContact O-N 3.37Å
186S58.4Low64.7Low117 Ų11781.5 Ų81.582%0.81843%0.425SS*.THydrogen-bonded Turntrans-70.5-17.5177.554.30000113.4H184H184-S186 PolarHBondContact O-N 3.5Å
187D61.3Low66.6Low51 Ų5185.8 Ų85.827%0.27344%0.442SS..  trans-10672.9-178.2-171.915000111.3H184 I185 G189 N191 Y192 F274H184-D187 PolarHBondContact O-N 3.24Å; I185-D187 PolarHBondContact O-N 3.37Å; D187-G189 PolarHBondContact O-N 2.7Å; D187-G189 WeakPolarHBondContact OD1-CA 3.15Å; D187-G189 PolarHBondContact OD1-N 2.86Å; D187-N191 PolarHBondContact OD2-ND2 3.21Å; D187-Y192 WeakPolarHBondContact O-CB 3.27Å; D187-F274 WeakPolarHBondContact O-CD1 3.34Å
188K67.4Low68.6Low99 Ų9989.7 Ų89.743%0.4345%0.454SS..  trans-76.721.1158-69.3-166.7178.6-175.50112Y192 E279K188-Y192 HydrophobicContact CB-CD1 4.19Å; K188-Y192 HydrophobicContact CB-CG 4.36Å; K188-Y192 HydrophobicContact CG-CD1 4.46Å; K188-Y192 HydrophobicContact CG-CG 4.38Å; K188-E279 IonicContact NZ-OE1 3.01Å; K188-E279 PolarHBondContact NZ-OE1 2.77Å; K188-E279 IonicContact NZ-OE2 4Å
189G77.8Confident70.6Confident30 Ų3080.8 Ų80.831%0.30941%0.412SS..SBendtrans-82.6-143.4177.500000112.7D187 N191 Y192 H193D187-G189 PolarHBondContact O-N 2.7Å; D187-G189 WeakPolarHBondContact OD1-CA 3.15Å; D187-G189 PolarHBondContact OD1-N 2.86Å; G189-N191 VanDerWaalsContact C-N 3.34Å; G189-N191 PolarHBondContact O-N 2.53Å; G189-Y192 PolarHBondContact O-N 3.35Å; G189-H193 PolarHBondContact O-CD2 3.03Å; G189-H193 PolarHBondContact O-N 3.5Å
190F78.7Confident72.5Confident165 Ų16578.4 Ų78.472%0.72440%0.397SS*.Hα-helixtrans-56.3-44.5-171.6-178.3-97.3000112.9Y192 H193 S194F190-Y192 PolarHBondContact O-N 3.34Å; F190-H193 PolarHBondContact O-N 2.97Å; F190-S194 WeakPolarHBondContact CE1-OG 3.45Å; F190-S194 PolarHBondContact O-N 2.86Å; F190-S194 PolarHBondContact O-OG 3.06Å; F190-S194 VanDerWaalsContact O-OG 3.12Å
191N81.9Confident74.5Confident83 Ų8379.5 Ų79.544%0.44440%0.396SS..Hα-helixtrans-62.9-43.7-177.4-69.3-44.7000112.4D187 G189 S194 K195 F274D187-N191 PolarHBondContact OD2-ND2 3.21Å; G189-N191 VanDerWaalsContact C-N 3.34Å; G189-N191 PolarHBondContact O-N 2.53Å; N191-S194 PolarHBondContact O-N 3.05Å; N191-K195 VanDerWaalsContact O-CG 3.28Å; N191-K195 WeakPolarHBondContact O-CG 3.41Å; N191-K195 PolarHBondContact O-N 2.99Å; N191-F274 HydrophobicContact CB-CE1 3.9Å; N191-F274 HydrophobicContact CB-CZ 4.02Å
192Y82.7Confident76Confident34 Ų3474 Ų7413%0.13337%0.371CS..Hα-helixtrans-60.1-48.8175.8168.2-100.9000111.5D187 K188 G189 F190 S194 K195 K196 Y271 F274D187-Y192 WeakPolarHBondContact O-CB 3.27Å; K188-Y192 HydrophobicContact CB-CD1 4.19Å; K188-Y192 HydrophobicContact CB-CG 4.36Å; K188-Y192 HydrophobicContact CG-CD1 4.46Å; K188-Y192 HydrophobicContact CG-CG 4.38Å; G189-Y192 PolarHBondContact O-N 3.35Å; F190-Y192 PolarHBondContact O-N 3.34Å; Y192-S194 PolarHBondContact O-N 2.86Å; Y192-K195 PolarHBondContact O-N 2.82Å; Y192-K196 PolarHBondContact O-N 3.17Å; Y192-Y271 HydrophobicContact CD2-CD2 4.42Å; Y192-Y271 AromaticContact CD2-CE2 3.85Å; Y192-Y271 HydrophobicContact CD2-CE2 3.85Å; Y192-Y271 HydrophobicContact CE2-CD2 4.21Å; Y192-Y271 AromaticContact CE2-CE2 3.29Å; Y192-Y271 HydrophobicContact CE2-CE2 3.29Å; Y192-Y271 AromaticContact CE2-CZ 3.86Å; Y192-Y271 AromaticContact CZ-CE2 3.82Å; Y192-Y271 PolarHBondContact OH-OH 3.27Å; Y192-F274 HydrophobicContact CD2-CB 3.59Å; Y192-F274 HydrophobicContact CD2-CG 4.09Å; Y192-F274 HydrophobicContact CE2-CB 4.31Å
193H84Confident77.4Confident101 Ų10174.8 Ų74.847%0.46837%0.374SS..Hα-helixtrans-60.4-46.9178.7-74.9-62.9000111.8G189 F190 K195 K196 E197G189-H193 PolarHBondContact O-CD2 3.03Å; G189-H193 PolarHBondContact O-N 3.5Å; F190-H193 PolarHBondContact O-N 2.97Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.44Å; H193-K196 WeakPolarHBondContact O-CB 3.45Å; H193-K196 PolarHBondContact O-N 3.03Å; H193-E197 WeakPolarHBondContact O-CG 3.18Å; H193-E197 PolarHBondContact O-N 2.87Å
194S84.7Confident78.6Confident19 Ų1971.3 Ų71.313%0.13336%0.364CS..Hα-helixtrans-60.2-40.8175.7-59.90000112.2F190 N191 Y192 E197 Y198F190-S194 WeakPolarHBondContact CE1-OG 3.45Å; F190-S194 PolarHBondContact O-N 2.86Å; F190-S194 PolarHBondContact O-OG 3.06Å; F190-S194 VanDerWaalsContact O-OG 3.12Å; N191-S194 PolarHBondContact O-N 3.05Å; Y192-S194 PolarHBondContact O-N 2.86Å; S194-E197 PolarHBondContact O-N 2.82Å; S194-Y198 WeakPolarHBondContact O-CB 3.31Å; S194-Y198 WeakPolarHBondContact O-CD2 3.36Å; S194-Y198 PolarHBondContact O-N 2.99Å
195K86.5Confident79.6Confident67 Ų6769.7 Ų69.729%0.29136%0.36SS..Hα-helixtrans-68.2-35.2177.3-68-59.3179.3-1680112.9N191 Y192 H193 Y198 L199 N270 Y271 F274N191-K195 VanDerWaalsContact O-CG 3.28Å; N191-K195 WeakPolarHBondContact O-CG 3.41Å; N191-K195 PolarHBondContact O-N 2.99Å; Y192-K195 PolarHBondContact O-N 2.82Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.44Å; K195-Y198 HydrophobicContact CD-CD2 4.39Å; K195-L199 WeakPolarHBondContact O-CB 3.38Å; K195-L199 PolarHBondContact O-N 3.35Å; K195-N270 HydrophobicContact CD-CB 4.24Å; K195-Y271 HydrophobicContact CB-CD2 4.29Å; K195-F274 HydrophobicContact CB-CE2 4.28Å; K195-F274 HydrophobicContact CG-CD2 4.5Å; K195-F274 HydrophobicContact CG-CE2 3.74Å; K195-F274 HydrophobicContact CG-CZ 4.23Å
196K86.8Confident80.7Confident81 Ų8167.5 Ų67.535%0.35235%0.349SS..Hα-helixtrans-62.1-49.4171.8-169.4-179.3175.1-168.80110.8Y192 H193 Y198 L199 E200 Y271Y192-K196 PolarHBondContact O-N 3.17Å; H193-K196 WeakPolarHBondContact O-CB 3.45Å; H193-K196 PolarHBondContact O-N 3.03Å; K196-Y198 PolarHBondContact O-N 2.85Å; K196-L199 WeakPolarHBondContact O-CB 3.39Å; K196-L199 PolarHBondContact O-N 3.47Å; K196-L199 VanDerWaalsContact O-N 3.15Å; K196-E200 WeakPolarHBondContact CE-OE1 3.3Å; K196-E200 IonicContact NZ-OE1 3.16Å; K196-E200 WeakPolarHBondContact O-CG 3.24Å; K196-E200 PolarHBondContact O-N 3.4Å; K196-Y271 HydrophobicContact CB-CD2 4.16Å; K196-Y271 HydrophobicContact CB-CE2 3.64Å; K196-Y271 HydrophobicContact CG-CE2 3.96Å
197E86.8Confident81.5Confident123 Ų12364.8 Ų64.858%0.57532%0.322SS*.Hα-helixtrans-61.6-41.2177.5-71.5173.7175.200112.2H193 S194 L199 E200 C201H193-E197 WeakPolarHBondContact O-CG 3.18Å; H193-E197 PolarHBondContact O-N 2.87Å; S194-E197 PolarHBondContact O-N 2.82Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.32Å; E197-E200 PolarHBondContact O-N 3.22Å; E197-C201 VanDerWaalsContact O-CB 3.23Å; E197-C201 WeakPolarHBondContact O-CB 3.4Å; E197-C201 PolarHBondContact O-N 3.39Å
198Y89.1Confident82.4Confident136 Ų13668 Ų6853%0.53334%0.338SS..Hα-helixtrans-64.5-37.8175-73.9-51.6000112.4S194 K195 K196 A202S194-Y198 WeakPolarHBondContact O-CB 3.31Å; S194-Y198 WeakPolarHBondContact O-CD2 3.36Å; S194-Y198 PolarHBondContact O-N 2.99Å; K195-Y198 HydrophobicContact CD-CD2 4.39Å; K196-Y198 PolarHBondContact O-N 2.85Å; Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.42Å; Y198-A202 PolarHBondContact O-N 3.15Å
199L86.6Confident83.1Confident14 Ų1465 Ų657%0.07333%0.325CS..Hα-helixtrans-62.5-52.1172.8176.158.8000110.2K195 K196 E197 C201 A202 Q203 L264 N267 R268 Y271K195-L199 WeakPolarHBondContact O-CB 3.38Å; K195-L199 PolarHBondContact O-N 3.35Å; K196-L199 WeakPolarHBondContact O-CB 3.39Å; K196-L199 PolarHBondContact O-N 3.47Å; K196-L199 VanDerWaalsContact O-N 3.15Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.32Å; L199-C201 VanDerWaalsContact C-N 3.3Å; L199-C201 PolarHBondContact O-N 2.86Å; L199-A202 PolarHBondContact O-N 3.16Å; L199-A202 VanDerWaalsContact O-N 3.12Å; L199-Q203 HydrophobicContact CD1-CG 4.15Å; L199-Q203 HydrophobicContact CG-CG 4.44Å; L199-Q203 WeakPolarHBondContact O-CB 3.33Å; L199-Q203 WeakPolarHBondContact O-CG 3.11Å; L199-Q203 PolarHBondContact O-N 2.94Å; L199-L264 HydrophobicContact CD1-CD1 3.56Å; L199-N267 HydrophobicContact CD1-CB 4.47Å; L199-R268 HydrophobicContact CD1-CB 3.94Å; L199-Y271 HydrophobicContact CD2-CD1 3.3Å; L199-Y271 HydrophobicContact CD2-CE1 3.89Å; L199-Y271 HydrophobicContact CD2-CG 3.85Å
200E85.3Confident83.1Confident88 Ų8863.8 Ų63.841%0.41131%0.311SS..Hα-helixtrans-58-40.3178.4-70.6171.1176.500112.6K196 E197 Q203 S204K196-E200 WeakPolarHBondContact CE-OE1 3.3Å; K196-E200 IonicContact NZ-OE1 3.16Å; K196-E200 WeakPolarHBondContact O-CG 3.24Å; K196-E200 PolarHBondContact O-N 3.4Å; E197-E200 PolarHBondContact O-N 3.22Å; E200-Q203 WeakPolarHBondContact O-CB 3.17Å; E200-Q203 PolarHBondContact O-N 2.98Å; E200-S204 WeakPolarHBondContact O-CB 3.16Å; E200-S204 PolarHBondContact O-N 3.04Å; E200-S204 PolarHBondContact O-OG 3.45Å
201C87Confident83.1Confident72 Ų7258.4 Ų58.449%0.48629%0.292SS..Hα-helixtrans-66.6-46.3174.4-178.90000111.6E197 L199 Q203 S204 V205E197-C201 VanDerWaalsContact O-CB 3.23Å; E197-C201 WeakPolarHBondContact O-CB 3.4Å; E197-C201 PolarHBondContact O-N 3.39Å; L199-C201 VanDerWaalsContact C-N 3.3Å; L199-C201 PolarHBondContact O-N 2.86Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.26Å; C201-S204 PolarHBondContact O-N 3.47Å; C201-S204 VanDerWaalsContact O-N 3.17Å; C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.66Å
202A83.8Confident83.2Confident4 Ų460.2 Ų60.23%0.03330%0.296CS..Hα-helixtrans-60.3-40.1176.700000111.4Y198 L199 M206 L264 N267Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.42Å; Y198-A202 PolarHBondContact O-N 3.15Å; L199-A202 PolarHBondContact O-N 3.16Å; L199-A202 VanDerWaalsContact O-N 3.12Å; A202-M206 WeakPolarHBondContact O-CB 3.05Å; A202-M206 PolarHBondContact O-N 3.43Å; A202-L264 HydrophobicContact CB-CD1 4.2Å; A202-N267 HydrophobicContact CB-CB 4.31Å
203Q81.5Confident83.2Confident28 Ų2858.6 Ų58.613%0.13129%0.29CS..Hα-helixtrans-60.3-48.7173.8-68.7169.8-20.300110.9A25 L199 E200 C201 M206 K207 L264A25-Q203 HydrophobicContact CB-CB 3.97Å; A25-Q203 HydrophobicContact CB-CG 3.38Å; A25-Q203 VanDerWaalsContact CB-NE2 3.25Å; A25-Q203 PolarHBondContact O-OE1 2.71Å; L199-Q203 HydrophobicContact CD1-CG 4.15Å; L199-Q203 HydrophobicContact CG-CG 4.44Å; L199-Q203 WeakPolarHBondContact O-CB 3.33Å; L199-Q203 WeakPolarHBondContact O-CG 3.11Å; L199-Q203 PolarHBondContact O-N 2.94Å; E200-Q203 WeakPolarHBondContact O-CB 3.17Å; E200-Q203 PolarHBondContact O-N 2.98Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.26Å; Q203-M206 WeakPolarHBondContact O-CE 3.17Å; Q203-M206 PolarHBondContact O-N 3.49Å; Q203-K207 WeakPolarHBondContact O-CG 3.17Å; Q203-K207 PolarHBondContact O-N 3.32Å; Q203-L264 HydrophobicContact CB-CD1 4.35Å; Q203-L264 HydrophobicContact CG-CD1 3.4Å; Q203-L264 VanDerWaalsContact CG-CD1 3.4Å
204S80.5Confident83.1Confident63 Ų6353.8 Ų53.844%0.44127%0.268SS..Hα-helixtrans-63.4-45.7-179.6-610000112.9E200 C201 K207 I208E200-S204 WeakPolarHBondContact O-CB 3.16Å; E200-S204 PolarHBondContact O-N 3.04Å; E200-S204 PolarHBondContact O-OG 3.45Å; C201-S204 PolarHBondContact O-N 3.47Å; C201-S204 VanDerWaalsContact O-N 3.17Å; S204-K207 WeakPolarHBondContact O-CB 3.39Å; S204-K207 PolarHBondContact O-N 3.25Å; S204-I208 PolarHBondContact O-N 2.89Å
205V82.1Confident83Confident43 Ų4356.7 Ų56.726%0.26128%0.284SS..Hα-helixtrans-63.9-45.2177.4171.20000110.7C201 K207 I208 H209 R260C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.66Å; V205-K207 VanDerWaalsContact C-N 3.28Å; V205-K207 PolarHBondContact O-N 3.19Å; V205-I208 PolarHBondContact O-N 3.5Å; V205-H209 PolarHBondContact O-CD2 3.14Å; V205-H209 PolarHBondContact O-N 3.4Å; V205-R260 HydrophobicContact CG1-CG 4.37Å
206M82.4Confident82.9Confident0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-58-41.4176.5168-75-71.300111.1I22 A202 Q203 I208 H209 R210 L257 R260 V261 L264I22-M206 HydrophobicContact CB-CE 3.85Å; I22-M206 HydrophobicContact CB-SD 3.83Å; I22-M206 HydrophobicContact CD1-CE 4.47Å; I22-M206 HydrophobicContact CD1-CG 3.85Å; I22-M206 HydrophobicContact CD1-SD 3.4Å; I22-M206 WeakPolarHBondContact CD1-SD 2.73Å; I22-M206 HydrophobicContact CG1-CE 3.74Å; I22-M206 HydrophobicContact CG1-CG 3.84Å; I22-M206 HydrophobicContact CG1-SD 3.32Å; I22-M206 WeakPolarHBondContact CG1-SD 3.46Å; I22-M206 HydrophobicContact CG2-CE 3.35Å; I22-M206 HydrophobicContact CG2-SD 3.3Å; I22-M206 WeakPolarHBondContact CG2-SD 3.35Å; A202-M206 WeakPolarHBondContact O-CB 3.05Å; A202-M206 PolarHBondContact O-N 3.43Å; Q203-M206 WeakPolarHBondContact O-CE 3.17Å; Q203-M206 PolarHBondContact O-N 3.49Å; M206-I208 VanDerWaalsContact C-N 3.33Å; M206-I208 PolarHBondContact O-N 3.28Å; M206-H209 PolarHBondContact O-N 2.91Å; M206-H209 VanDerWaalsContact O-N 3.11Å; M206-R210 PolarHBondContact O-N 3.25Å; M206-R210 HydrophobicContact SD-CB 4.47Å; M206-L257 HydrophobicContact CG-CD1 4.29Å; M206-R260 HydrophobicContact CB-CB 3.95Å; M206-R260 HydrophobicContact CG-CB 4.36Å; M206-V261 HydrophobicContact CG-CG2 4.25Å; M206-L264 HydrophobicContact CE-CD2 3.64Å; M206-L264 HydrophobicContact CG-CD2 4.43Å
207K75.1Confident82.8Confident59 Ų5950.9 Ų50.926%0.25726%0.26SS..Hα-helixtrans-56.4-45.2178.5-75.2171.6-174.1179.80112Q203 S204 V205 H209 R210 T211Q203-K207 WeakPolarHBondContact O-CG 3.17Å; Q203-K207 PolarHBondContact O-N 3.32Å; S204-K207 WeakPolarHBondContact O-CB 3.39Å; S204-K207 PolarHBondContact O-N 3.25Å; V205-K207 VanDerWaalsContact C-N 3.28Å; V205-K207 PolarHBondContact O-N 3.19Å; K207-H209 VanDerWaalsContact C-N 3.32Å; K207-H209 PolarHBondContact O-N 3.43Å; K207-R210 WeakPolarHBondContact O-CB 3.31Å; K207-R210 PolarHBondContact O-N 2.83Å; K207-T211 PolarHBondContact O-N 2.8Å; K207-T211 PolarHBondContact O-OG1 2.9Å
208I79Confident82.6Confident118 Ų11850 Ų5061%0.60525%0.251SS*.Hα-helixtrans-58.4-46.6177.6-64.1167.7000110.6S204 V205 M206 R210 K212S204-I208 PolarHBondContact O-N 2.89Å; V205-I208 PolarHBondContact O-N 3.5Å; M206-I208 VanDerWaalsContact C-N 3.33Å; M206-I208 PolarHBondContact O-N 3.28Å; I208-R210 VanDerWaalsContact C-N 3.35Å; I208-K212 PolarHBondContact O-N 2.96Å; I208-K212 VanDerWaalsContact O-N 3.1Å
209H82.9Confident82.5Confident37 Ų3746 Ų4617%0.17124%0.244CC..Hα-helixtrans-70.6-31.3-179.5-74.3-74.1000112.9V205 M206 K207 A213 E256 L257 R260V205-H209 PolarHBondContact O-CD2 3.14Å; V205-H209 PolarHBondContact O-N 3.4Å; M206-H209 PolarHBondContact O-N 2.91Å; M206-H209 VanDerWaalsContact O-N 3.11Å; K207-H209 VanDerWaalsContact C-N 3.32Å; K207-H209 PolarHBondContact O-N 3.43Å; H209-A213 WeakPolarHBondContact O-CB 3.49Å; H209-A213 PolarHBondContact O-N 3.35Å; H209-E256 WeakPolarHBondContact CE1-CG 3.33Å; H209-E256 IonicContact CE1-OE1 2.68Å; H209-E256 PolarHBondContact CE1-OE1 3Å; H209-E256 VanDerWaalsContact CE1-OE1 3.22Å; H209-E256 WeakPolarHBondContact ND1-CG 3.14Å; H209-E256 IonicContact ND1-OE1 3.14Å; H209-E256 IonicContact NE2-OE1 3.76Å; H209-E256 PolarHBondContact NE2-OE1 3.37Å; H209-L257 HydrophobicContact CB-CD1 4.36Å; H209-R260 HydrophobicContact CB-CG 4.13Å; H209-R260 PolarHBondContact NE2-NE 3.15Å; H209-R260 PolarHBondContact NE2-NH2 2.8Å
210R78.5Confident82.6Confident5 Ų545.4 Ų45.42%0.01924%0.24CC..Hα-helixtrans-64.2-54.7172.6174.5176.5168.6178.8-2.8110.5I22 M206 K207 I208 K212 A213 E214 L257I22-R210 HydrophobicContact CD1-CB 4.45Å; M206-R210 PolarHBondContact O-N 3.25Å; M206-R210 HydrophobicContact SD-CB 4.47Å; K207-R210 WeakPolarHBondContact O-CB 3.31Å; K207-R210 PolarHBondContact O-N 2.83Å; I208-R210 VanDerWaalsContact C-N 3.35Å; R210-K212 PolarHBondContact O-N 3.29Å; R210-A213 CarbonylContact O-C 2.97Å; R210-A213 PolarHBondContact O-N 2.84Å; R210-E214 HydrophobicContact CG-CG 4.2Å; R210-E214 IonicContact CZ-OE1 3.04Å; R210-E214 IonicContact NE-OE1 2.7Å; R210-E214 PolarHBondContact NE-OE1 2.95Å; R210-E214 IonicContact NH2-OE1 2.78Å; R210-E214 PolarHBondContact NH2-OE1 2.98Å; R210-E214 VanDerWaalsContact NH2-OE1 3.09Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 3.05Å; R210-L257 HydrophobicContact CB-CD1 3.89Å
211T77.4Confident82.4Confident52 Ų5241.6 Ų41.632%0.31922%0.224SC..Hα-helixtrans-54.3-41.4179.1-62.50000110.8K207 E214 V215K207-T211 PolarHBondContact O-N 2.8Å; K207-T211 PolarHBondContact O-OG1 2.9Å; T211-E214 PolarHBondContact O-N 2.87Å; T211-V215 WeakPolarHBondContact O-CG2 3.39Å; T211-V215 PolarHBondContact O-N 3.2Å
212K84Confident82.3Confident120 Ų12039.6 Ų39.652%0.52222%0.215SC..Hα-helixtrans-60.7-49.5174-174.7176.6178.4172.90112.6I208 R210 E214 V215 D216 S253I208-K212 PolarHBondContact O-N 2.96Å; I208-K212 VanDerWaalsContact O-N 3.1Å; R210-K212 PolarHBondContact O-N 3.29Å; K212-E214 VanDerWaalsContact C-N 3.27Å; K212-E214 PolarHBondContact O-N 3.4Å; K212-V215 PolarHBondContact O-N 3.1Å; K212-D216 PolarHBondContact O-N 3.22Å; K212-S253 WeakPolarHBondContact CE-OG 3.46Å
213A83.3Confident82.5Confident0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-62.7-33.3178.500000112.7L15 H209 R210 C217 F250 L257L15-A213 HydrophobicContact CD1-CB 3.77Å; H209-A213 WeakPolarHBondContact O-CB 3.49Å; H209-A213 PolarHBondContact O-N 3.35Å; R210-A213 CarbonylContact O-C 2.97Å; R210-A213 PolarHBondContact O-N 2.84Å; A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.18Å; A213-F250 WeakPolarHBondContact O-CE2 3.1Å; A213-L257 HydrophobicContact CB-CB 4.48Å; A213-L257 HydrophobicContact CB-CD2 3.99Å
214E81.5Confident82.7Confident1 Ų138.5 Ų38.51%0.00521%0.209CC..Hα-helixtrans-69.9-42.6175.7-68.1176.5155.500112.3L15 L43 R210 T211 K212 C217 R218L15-E214 HydrophobicContact CD1-CG 4.31Å; L15-E214 HydrophobicContact CD2-CG 4.18Å; L43-E214 WeakPolarHBondContact CD1-OE2 3.44Å; L43-E214 HydrophobicContact CD2-CB 4.2Å; R210-E214 HydrophobicContact CG-CG 4.2Å; R210-E214 IonicContact CZ-OE1 3.04Å; R210-E214 IonicContact NE-OE1 2.7Å; R210-E214 PolarHBondContact NE-OE1 2.95Å; R210-E214 IonicContact NH2-OE1 2.78Å; R210-E214 PolarHBondContact NH2-OE1 2.98Å; R210-E214 VanDerWaalsContact NH2-OE1 3.09Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 3.05Å; T211-E214 PolarHBondContact O-N 2.87Å; K212-E214 VanDerWaalsContact C-N 3.27Å; K212-E214 PolarHBondContact O-N 3.4Å; E214-C217 WeakPolarHBondContact O-CB 3.35Å; E214-C217 PolarHBondContact O-N 3.24Å; E214-R218 WeakPolarHBondContact O-CG 3.24Å; E214-R218 PolarHBondContact O-N 2.53Å
215V82.8Confident82.8Confident80 Ų8037 Ų3749%0.48520%0.196SC..Hα-helixtrans-62-45.3173.9169.10000110.9T211 K212 R218 S219T211-V215 WeakPolarHBondContact O-CG2 3.39Å; T211-V215 PolarHBondContact O-N 3.2Å; K212-V215 PolarHBondContact O-N 3.1Å; V215-R218 PolarHBondContact O-N 3.1Å; V215-S219 WeakPolarHBondContact O-CB 3.37Å; V215-S219 PolarHBondContact O-N 2.7Å; V215-S219 PolarHBondContact O-OG 3.4Å
216D85.5Confident83Confident26 Ų2639.6 Ų39.614%0.13920%0.204CC..Hα-helixtrans-64.9-43.5177.9-69.4-24.1000110.9K212 R218 S219 T220 F250 S253K212-D216 PolarHBondContact O-N 3.22Å; D216-R218 PolarHBondContact O-N 2.63Å; D216-S219 WeakPolarHBondContact O-CB 3.43Å; D216-S219 PolarHBondContact O-N 2.83Å; D216-T220 WeakPolarHBondContact O-CB 3.48Å; D216-T220 PolarHBondContact O-N 3.5Å; D216-T220 PolarHBondContact O-OG1 2.99Å; D216-F250 HydrophobicContact CB-CB 3.98Å; D216-F250 HydrophobicContact CB-CD2 4.11Å; D216-S253 VanDerWaalsContact OD2-CB 3.25Å; D216-S253 WeakPolarHBondContact OD2-CB 3.42Å; D216-S253 PolarHBondContact OD2-OG 3.35Å
217C83.5Confident83.1Confident0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-54.4-53175.2176.20000112L15 A213 E214 S219 T220 V221 F250L15-C217 HydrophobicContact CD2-CB 3.68Å; A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.18Å; E214-C217 WeakPolarHBondContact O-CB 3.35Å; E214-C217 PolarHBondContact O-N 3.24Å; C217-S219 VanDerWaalsContact C-N 3.28Å; C217-S219 PolarHBondContact O-N 2.8Å; C217-T220 PolarHBondContact O-N 2.89Å; C217-V221 WeakPolarHBondContact O-CB 3.5Å; C217-V221 WeakPolarHBondContact O-CG2 3.48Å; C217-V221 PolarHBondContact O-N 3.25Å; C217-F250 HydrophobicContact CB-CD2 3.93Å; C217-F250 HydrophobicContact CB-CE2 3.46Å; C217-F250 VanDerWaalsContact CB-CE2 3.46Å; C217-F250 HydrophobicContact CB-CZ 3.8Å
218R82.5Confident83.4Confident103 Ų10339.9 Ų39.939%0.38921%0.206SC..Hα-helixtrans-59-42.1179.4-74.4176171.9-167.8-4.7111.5T46 I50 E214 V215 D216 G222T46-R218 PolarHBondContact OG1-NH2 2.78Å; T46-R218 VanDerWaalsContact OG1-NH2 3.09Å; I50-R218 HydrophobicContact CD1-CG 4.19Å; E214-R218 WeakPolarHBondContact O-CG 3.24Å; E214-R218 PolarHBondContact O-N 2.53Å; V215-R218 PolarHBondContact O-N 3.1Å; D216-R218 PolarHBondContact O-N 2.63Å; R218-G222 PolarHBondContact O-N 2.77Å
219S87.8Confident83.6Confident54 Ų5441.8 Ų41.838%0.37821%0.213SC..Hα-helixtrans-63.5-47.9177.4-57.90000111.4V215 D216 C217 V221 G222 E223V215-S219 WeakPolarHBondContact O-CB 3.37Å; V215-S219 PolarHBondContact O-N 2.7Å; V215-S219 PolarHBondContact O-OG 3.4Å; D216-S219 WeakPolarHBondContact O-CB 3.43Å; D216-S219 PolarHBondContact O-N 2.83Å; C217-S219 VanDerWaalsContact C-N 3.28Å; C217-S219 PolarHBondContact O-N 2.8Å; S219-V221 PolarHBondContact O-N 3.35Å; S219-G222 PolarHBondContact O-N 3.44Å; S219-E223 WeakPolarHBondContact O-CB 3.32Å; S219-E223 PolarHBondContact O-N 2.88Å
220T87.6Confident83.7Confident0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-61.2-44178.2-57.90000111.9L8 D216 C217 E223 F224 F243 I246 N247 F250L8-T220 HydrophobicContact CD1-CG2 3.59Å; D216-T220 WeakPolarHBondContact O-CB 3.48Å; D216-T220 PolarHBondContact O-N 3.5Å; D216-T220 PolarHBondContact O-OG1 2.99Å; C217-T220 PolarHBondContact O-N 2.89Å; T220-E223 PolarHBondContact O-N 3.03Å; T220-F224 WeakPolarHBondContact O-CB 3.47Å; T220-F224 PolarHBondContact O-N 3.43Å; T220-F243 HydrophobicContact CG2-CD2 4.26Å; T220-F243 HydrophobicContact CG2-CE2 3.67Å; T220-I246 WeakPolarHBondContact OG1-CG2 3.36Å; T220-I246 PolarHBondContact OG1-O 3.41Å; T220-N247 HydrophobicContact CG2-CB 3.9Å; T220-F250 HydrophobicContact CG2-CD1 4.42Å; T220-F250 WeakPolarHBondContact OG1-CB 3.42Å
221V81.6Confident83.9Confident9 Ų945.6 Ų45.66%0.05523%0.232CC..Hα-helixtrans-66.9-44.8179.5172.80000110.9L8 I50 L54 C217 S219 E223 F224 L225L8-V221 HydrophobicContact CD1-CG2 4.32Å; L8-V221 HydrophobicContact CD2-CG2 4.21Å; I50-V221 HydrophobicContact CD1-CG1 4.44Å; I50-V221 HydrophobicContact CD1-CG2 4.39Å; I50-V221 HydrophobicContact CG1-CG1 4.18Å; I50-V221 HydrophobicContact CG2-CB 4.15Å; I50-V221 HydrophobicContact CG2-CG1 3.86Å; I50-V221 HydrophobicContact CG2-CG2 3.34Å; L54-V221 HydrophobicContact CD1-CG2 4.36Å; C217-V221 WeakPolarHBondContact O-CB 3.5Å; C217-V221 WeakPolarHBondContact O-CG2 3.48Å; C217-V221 PolarHBondContact O-N 3.25Å; S219-V221 PolarHBondContact O-N 3.35Å; V221-E223 PolarHBondContact O-N 2.84Å; V221-F224 PolarHBondContact O-N 3.16Å; V221-L225 HydrophobicContact CG1-CD1 4.22Å; V221-L225 HydrophobicContact CG1-CG 4.46Å; V221-L225 VanDerWaalsContact O-CG 3.32Å; V221-L225 WeakPolarHBondContact O-CG 3.39Å; V221-L225 PolarHBondContact O-N 2.85Å
222G84.6Confident84.2Confident30 Ų3049.9 Ų49.931%0.30925%0.253SS..Hα-helixtrans-57.4-42.2175.300000111.6R218 S219 L225 K226R218-G222 PolarHBondContact O-N 2.77Å; S219-G222 PolarHBondContact O-N 3.44Å; G222-L225 PolarHBondContact O-N 3.02Å; G222-K226 WeakPolarHBondContact O-CG 3.49Å; G222-K226 PolarHBondContact O-N 3.05Å
223E88Confident84.4Confident7 Ų746.6 Ų46.63%0.03324%0.244CC..Hα-helixtrans-71.1-37.5178.9-155.864.5-169.900113.3S219 T220 V221 K226 L227 Q239 Q242 F243 I246S219-E223 WeakPolarHBondContact O-CB 3.32Å; S219-E223 PolarHBondContact O-N 2.88Å; T220-E223 PolarHBondContact O-N 3.03Å; V221-E223 PolarHBondContact O-N 2.84Å; E223-K226 PolarHBondContact O-N 3.4Å; E223-K226 IonicContact OE2-NZ 3.37Å; E223-K226 PolarHBondContact OE2-NZ 2.81Å; E223-L227 PolarHBondContact O-N 3.29Å; E223-Q239 PolarHBondContact O-NE2 3.37Å; E223-Q239 PolarHBondContact OE1-NE2 3.26Å; E223-Q242 HydrophobicContact CG-CG 4.1Å; E223-Q242 WeakPolarHBondContact OE1-CG 3.29Å; E223-Q242 PolarHBondContact OE1-NE2 2.97Å; E223-Q242 PolarHBondContact OE1-OE1 3.43Å; E223-F243 HydrophobicContact CG-CB 4.27Å; E223-I246 HydrophobicContact CB-CD1 4.27Å; E223-I246 HydrophobicContact CG-CD1 4.06Å
224F85.8Confident84.5Confident1 Ų152.9 Ų52.90%0.00428%0.284CS..Hα-helixtrans-61.5-44.6173.2-178.5-101.6000111.6Y5 L8 L54 T220 V221 K226 L227 Q228 F243Y5-F224 AromaticContact CD1-CE1 3.91Å; Y5-F224 HydrophobicContact CD1-CE1 3.91Å; Y5-F224 AromaticContact CD1-CZ 3.81Å; Y5-F224 HydrophobicContact CD1-CZ 3.81Å; Y5-F224 AromaticContact CD2-CZ 3.98Å; Y5-F224 HydrophobicContact CD2-CZ 3.98Å; Y5-F224 AromaticContact CE1-CE1 3.36Å; Y5-F224 HydrophobicContact CE1-CE1 3.36Å; Y5-F224 AromaticContact CE1-CZ 3.53Å; Y5-F224 HydrophobicContact CE1-CZ 3.53Å; Y5-F224 HydrophobicContact CE2-CE1 4.28Å; Y5-F224 AromaticContact CE2-CZ 3.7Å; Y5-F224 HydrophobicContact CE2-CZ 3.7Å; Y5-F224 HydrophobicContact CG-CZ 4.02Å; Y5-F224 AromaticContact CZ-CE1 3.56Å; Y5-F224 AromaticContact CZ-CZ 3.46Å; Y5-F224 VanDerWaalsContact CZ-CZ 3.46Å; L8-F224 HydrophobicContact CD2-CB 3.91Å; L8-F224 HydrophobicContact CD2-CD1 4.03Å; L8-F224 HydrophobicContact CD2-CD2 4.3Å; L8-F224 HydrophobicContact CD2-CG 3.81Å; L54-F224 HydrophobicContact CD2-CD1 3.8Å; L54-F224 HydrophobicContact CD2-CE1 3.85Å; T220-F224 WeakPolarHBondContact O-CB 3.47Å; T220-F224 PolarHBondContact O-N 3.43Å; V221-F224 PolarHBondContact O-N 3.16Å; F224-K226 VanDerWaalsContact C-N 3.34Å; F224-K226 PolarHBondContact O-N 3.28Å; F224-L227 WeakPolarHBondContact O-CB 3.32Å; F224-L227 PolarHBondContact O-N 2.77Å; F224-L227 VanDerWaalsContact O-N 3.16Å; F224-Q228 HydrophobicContact CD1-CG 4.31Å; F224-Q228 HydrophobicContact CE1-CG 3.89Å; F224-Q228 HydrophobicContact CZ-CG 4.1Å; F224-Q228 WeakPolarHBondContact O-CG 3.3Å; F224-Q228 PolarHBondContact O-N 2.89Å; F224-F243 HydrophobicContact CB-CD2 3.84Å; F224-F243 HydrophobicContact CB-CE2 3.63Å; F224-F243 HydrophobicContact CD2-CD2 4.21Å; F224-F243 HydrophobicContact CD2-CE1 4.37Å; F224-F243 AromaticContact CD2-CE2 3.69Å; F224-F243 HydrophobicContact CD2-CE2 3.69Å; F224-F243 AromaticContact CD2-CZ 3.77Å; F224-F243 HydrophobicContact CD2-CZ 3.77Å; F224-F243 HydrophobicContact CG-CE2 4.09Å
225L83.3Confident84.8Confident31 Ų3155.7 Ų55.716%0.16230%0.304CS..Hα-helixtrans-63.4-39.5178.4-69.9175.7000111.8M57 V221 G222 Q228 Q229M57-L225 HydrophobicContact CE-CD2 3.86Å; M57-L225 HydrophobicContact SD-CD2 3.8Å; V221-L225 HydrophobicContact CG1-CD1 4.22Å; V221-L225 HydrophobicContact CG1-CG 4.46Å; V221-L225 VanDerWaalsContact O-CG 3.32Å; V221-L225 WeakPolarHBondContact O-CG 3.39Å; V221-L225 PolarHBondContact O-N 2.85Å; G222-L225 PolarHBondContact O-N 3.02Å; L225-Q228 PolarHBondContact O-N 3.23Å; L225-Q229 WeakPolarHBondContact O-CG 3.34Å; L225-Q229 PolarHBondContact O-N 3.39Å
226K85.8Confident85Confident99 Ų9953.6 Ų53.643%0.4329%0.293SS..Hα-helixtrans-62.7-42.7171.9-68.9174.9-162.7161.30111.8G222 E223 F224 Q228 Q229 V230G222-K226 WeakPolarHBondContact O-CG 3.49Å; G222-K226 PolarHBondContact O-N 3.05Å; E223-K226 PolarHBondContact O-N 3.4Å; E223-K226 IonicContact OE2-NZ 3.37Å; E223-K226 PolarHBondContact OE2-NZ 2.81Å; F224-K226 VanDerWaalsContact C-N 3.34Å; F224-K226 PolarHBondContact O-N 3.28Å; K226-Q228 VanDerWaalsContact C-N 3.26Å; K226-Q228 PolarHBondContact O-N 3.1Å; K226-Q229 WeakPolarHBondContact O-CB 3.32Å; K226-Q229 PolarHBondContact O-N 3.19Å; K226-V230 PolarHBondContact O-N 3.45Å; K226-V230 VanDerWaalsContact O-N 3.12Å
227L84.9Confident85.1Confident20 Ų2059.9 Ų59.911%0.10532%0.319CS..Hα-helixtrans-56.4-41174.918059.3000111.9E223 F224 Q229 K231 Q239 A240 F243E223-L227 PolarHBondContact O-N 3.29Å; F224-L227 WeakPolarHBondContact O-CB 3.32Å; F224-L227 PolarHBondContact O-N 2.77Å; F224-L227 VanDerWaalsContact O-N 3.16Å; L227-Q229 VanDerWaalsContact C-N 3.32Å; L227-Q229 PolarHBondContact O-N 2.93Å; L227-K231 PolarHBondContact O-N 3.08Å; L227-Q239 VanDerWaalsContact CA-CG 3.46Å; L227-Q239 HydrophobicContact CB-CG 3.8Å; L227-Q239 HydrophobicContact CD1-CB 3.91Å; L227-Q239 HydrophobicContact CD1-CG 3.87Å; L227-Q239 HydrophobicContact CG-CG 4.46Å; L227-A240 HydrophobicContact CD1-CB 4.05Å; L227-A240 HydrophobicContact CD2-CB 4.43Å; L227-F243 HydrophobicContact CD2-CB 4.16Å; L227-F243 HydrophobicContact CD2-CD1 4.17Å; L227-F243 HydrophobicContact CD2-CG 4.2Å
228Q81.2Confident85.4Confident44 Ų4464.5 Ų64.521%0.20635%0.348CS..Hα-helixtrans-65.8-32.4175.4-63.4-53.9-5400112.9F224 L225 K226 K231F224-Q228 HydrophobicContact CD1-CG 4.31Å; F224-Q228 HydrophobicContact CE1-CG 3.89Å; F224-Q228 HydrophobicContact CZ-CG 4.1Å; F224-Q228 WeakPolarHBondContact O-CG 3.3Å; F224-Q228 PolarHBondContact O-N 2.89Å; L225-Q228 PolarHBondContact O-N 3.23Å; K226-Q228 VanDerWaalsContact C-N 3.26Å; K226-Q228 PolarHBondContact O-N 3.1Å; Q228-K231 WeakPolarHBondContact O-CB 3.4Å
229Q83.1Confident85.8Confident158 Ų15861 Ų6174%0.73834%0.335SS*.Hα-helixtrans-73.3-37.3179.7-71.2173.4-7.700113.4L225 K226 L227 K231L225-Q229 WeakPolarHBondContact O-CG 3.34Å; L225-Q229 PolarHBondContact O-N 3.39Å; K226-Q229 WeakPolarHBondContact O-CB 3.32Å; K226-Q229 PolarHBondContact O-N 3.19Å; L227-Q229 VanDerWaalsContact C-N 3.32Å; L227-Q229 PolarHBondContact O-N 2.93Å; Q229-K231 VanDerWaalsContact C-N 3.31Å
230V85.2Confident85.8Confident40 Ų4059.9 Ų59.924%0.24233%0.329CS..THydrogen-bonded Turntrans-96.816.3179.9-56.70000112.3K226 T233 S236 Q239K226-V230 PolarHBondContact O-N 3.45Å; K226-V230 VanDerWaalsContact O-N 3.12Å; V230-T233 WeakPolarHBondContact O-CB 3.23Å; V230-T233 WeakPolarHBondContact O-CG2 3.45Å; V230-T233 PolarHBondContact O-N 2.91Å; V230-T233 PolarHBondContact O-OG1 3.2Å; V230-S236 WeakPolarHBondContact O-CB 3.49Å; V230-Q239 HydrophobicContact CG2-CB 3.85Å; V230-Q239 HydrophobicContact CG2-CG 3.78Å
231K81.8Confident86Confident82 Ų8265.1 Ų65.136%0.35736%0.356SS..THydrogen-bonded Turntrans-57.7142.4-179.7-166.8-171.6166.6-1710110.4M1 L227 Q228 Q229 T233M1-K231 PolarHBondContact SD-NZ 2.82Å; L227-K231 PolarHBondContact O-N 3.08Å; Q228-K231 WeakPolarHBondContact O-CB 3.4Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.4Å
232D84Confident86.4Confident142 Ų14268.9 Ų68.976%0.75937%0.374SS*.THydrogen-bonded Turntrans62.713.3178.8-48.7-43.7000114.6
233T88.1Confident86.7Confident52 Ų5267.7 Ų67.732%0.31936%0.36SS..SBendtrans-101.116317074.30000111V230 K231 S235 S236V230-T233 WeakPolarHBondContact O-CB 3.23Å; V230-T233 WeakPolarHBondContact O-CG2 3.45Å; V230-T233 PolarHBondContact O-N 2.91Å; V230-T233 PolarHBondContact O-OG1 3.2Å; K231-T233 PolarHBondContact O-N 3.4Å; T233-S235 PolarHBondContact O-N 3.31Å; T233-S235 VanDerWaalsContact O-N 3.15Å; T233-S235 PolarHBondContact OG1-N 3.11Å; T233-S235 PolarHBondContact OG1-OG 3.29Å; T233-S236 VanDerWaalsContact O-CB 3.25Å; T233-S236 WeakPolarHBondContact O-CB 3.09Å; T233-S236 PolarHBondContact O-N 2.91Å; T233-S236 PolarHBondContact O-OG 3.49Å
234P86.4Confident86.8Confident132 Ų13271.7 Ų71.786%0.85738%0.381SS*.THydrogen-bonded Turntrans-55.2-29.8172.5-27.135.9000114.1S236P234-S236 VanDerWaalsContact C-N 3.28Å; P234-S236 PolarHBondContact O-N 3.35Å
235S86.7Confident87.1Confident60 Ų6078.5 Ų78.542%0.4241%0.411SS..THydrogen-bonded Turntrans-70.8-17.3176.232.10000114.6T233 K237 T238 Q239T233-S235 PolarHBondContact O-N 3.31Å; T233-S235 VanDerWaalsContact O-N 3.15Å; T233-S235 PolarHBondContact OG1-N 3.11Å; T233-S235 PolarHBondContact OG1-OG 3.29Å; S235-K237 VanDerWaalsContact C-N 3.26Å; S235-K237 PolarHBondContact O-N 3.34Å; S235-T238 PolarHBondContact O-N 3.05Å; S235-Q239 WeakPolarHBondContact O-CB 3.25Å; S235-Q239 PolarHBondContact O-N 3.35Å
236S87.6Confident87.5Confident36 Ų3678.8 Ų78.825%0.25241%0.412SS..Hα-helixtrans-56.4-38.1-177.961.60000113V230 T233 P234 Q239 A240V230-S236 WeakPolarHBondContact O-CB 3.49Å; T233-S236 VanDerWaalsContact O-CB 3.25Å; T233-S236 WeakPolarHBondContact O-CB 3.09Å; T233-S236 PolarHBondContact O-N 2.91Å; T233-S236 PolarHBondContact O-OG 3.49Å; P234-S236 VanDerWaalsContact C-N 3.28Å; P234-S236 PolarHBondContact O-N 3.35Å; S236-Q239 PolarHBondContact O-N 3.35Å; S236-A240 VanDerWaalsContact O-CB 3.3Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.18Å
237K88.5Confident87.6Confident157 Ų15774.9 Ų74.968%0.68340%0.396SS*.Hα-helixtrans-66.3-46.7-178.4-171178.9-178.3-179.30112.3S235 Q239 A240 I241S235-K237 VanDerWaalsContact C-N 3.26Å; S235-K237 PolarHBondContact O-N 3.34Å; K237-Q239 VanDerWaalsContact C-N 3.31Å; K237-A240 PolarHBondContact O-N 3.12Å; K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 3.07Å
238T89.9Confident87.9Confident98 Ų9878.8 Ų78.860%0.60141%0.414SS*.Hα-helixtrans-62.8-43.2176.8-55.30000110.6S235 A240 I241 Q242S235-T238 PolarHBondContact O-N 3.05Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.33Å; T238-I241 PolarHBondContact O-N 2.91Å; T238-Q242 PolarHBondContact O-N 3.45Å; T238-Q242 VanDerWaalsContact O-N 3.12Å
239Q89.5Confident88.4Confident28 Ų2880 Ų8013%0.13142%0.421CS..Hα-helixtrans-65.2-36.5179.5-168.76139.500112.3E223 L227 V230 S235 S236 K237 Q242 F243E223-Q239 PolarHBondContact O-NE2 3.37Å; E223-Q239 PolarHBondContact OE1-NE2 3.26Å; L227-Q239 VanDerWaalsContact CA-CG 3.46Å; L227-Q239 HydrophobicContact CB-CG 3.8Å; L227-Q239 HydrophobicContact CD1-CB 3.91Å; L227-Q239 HydrophobicContact CD1-CG 3.87Å; L227-Q239 HydrophobicContact CG-CG 4.46Å; V230-Q239 HydrophobicContact CG2-CB 3.85Å; V230-Q239 HydrophobicContact CG2-CG 3.78Å; S235-Q239 WeakPolarHBondContact O-CB 3.25Å; S235-Q239 PolarHBondContact O-N 3.35Å; S236-Q239 PolarHBondContact O-N 3.35Å; K237-Q239 VanDerWaalsContact C-N 3.31Å; Q239-Q242 PolarHBondContact O-N 3.35Å; Q239-F243 WeakPolarHBondContact O-CB 3.37Å; Q239-F243 PolarHBondContact O-N 3.27Å
240A89Confident88.7Confident31 Ų3172.5 Ų72.526%0.25639%0.387SS..Hα-helixtrans-65.4-45.2175.900000111.7L227 S236 K237 T238 Q242 F243 D244L227-A240 HydrophobicContact CD1-CB 4.05Å; L227-A240 HydrophobicContact CD2-CB 4.43Å; S236-A240 VanDerWaalsContact O-CB 3.3Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.18Å; K237-A240 PolarHBondContact O-N 3.12Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.33Å; A240-Q242 VanDerWaalsContact C-N 3.28Å; A240-Q242 PolarHBondContact O-N 3.41Å; A240-F243 WeakPolarHBondContact O-CB 3.32Å; A240-F243 PolarHBondContact O-N 3.22Å; A240-D244 PolarHBondContact O-N 3.33Å
241I90.7Very high88.7Confident110 Ų11073.6 Ų73.656%0.56439%0.391SS*.Hα-helixtrans-60-41176.4-66.5165.7000111K237 T238 K245K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 3.07Å; T238-I241 PolarHBondContact O-N 2.91Å; I241-K245 PolarHBondContact O-N 3.11Å; I241-K245 VanDerWaalsContact O-N 3.16Å
242Q91.1Very high89.1Confident89 Ų8975.2 Ų75.242%0.41640%0.398SS..Hα-helixtrans-67-43177.4-172.9169.6-17.800111.8E223 T238 Q239 A240 K245 I246E223-Q242 HydrophobicContact CG-CG 4.1Å; E223-Q242 WeakPolarHBondContact OE1-CG 3.29Å; E223-Q242 PolarHBondContact OE1-NE2 2.97Å; E223-Q242 PolarHBondContact OE1-OE1 3.43Å; T238-Q242 PolarHBondContact O-N 3.45Å; T238-Q242 VanDerWaalsContact O-N 3.12Å; Q239-Q242 PolarHBondContact O-N 3.35Å; A240-Q242 VanDerWaalsContact C-N 3.28Å; A240-Q242 PolarHBondContact O-N 3.41Å; Q242-K245 PolarHBondContact O-N 2.92Å; Q242-I246 HydrophobicContact CG-CD1 4.12Å; Q242-I246 WeakPolarHBondContact O-CG1 3.43Å; Q242-I246 PolarHBondContact O-N 3.49Å; Q242-I246 VanDerWaalsContact O-N 3.14Å
243F90.8Very high89.4Confident4 Ų468.8 Ų68.82%0.01836%0.364CS..Hα-helixtrans-57.9-49.2173.6168.6-103.7000111.5T220 E223 F224 L227 Q239 A240 K245 I246 N247T220-F243 HydrophobicContact CG2-CD2 4.26Å; T220-F243 HydrophobicContact CG2-CE2 3.67Å; E223-F243 HydrophobicContact CG-CB 4.27Å; F224-F243 HydrophobicContact CB-CD2 3.84Å; F224-F243 HydrophobicContact CB-CE2 3.63Å; F224-F243 HydrophobicContact CD2-CD2 4.21Å; F224-F243 HydrophobicContact CD2-CE1 4.37Å; F224-F243 AromaticContact CD2-CE2 3.69Å; F224-F243 HydrophobicContact CD2-CE2 3.69Å; F224-F243 AromaticContact CD2-CZ 3.77Å; F224-F243 HydrophobicContact CD2-CZ 3.77Å; F224-F243 HydrophobicContact CG-CE2 4.09Å; L227-F243 HydrophobicContact CD2-CB 4.16Å; L227-F243 HydrophobicContact CD2-CD1 4.17Å; L227-F243 HydrophobicContact CD2-CG 4.2Å; Q239-F243 WeakPolarHBondContact O-CB 3.37Å; Q239-F243 PolarHBondContact O-N 3.27Å; A240-F243 WeakPolarHBondContact O-CB 3.32Å; A240-F243 PolarHBondContact O-N 3.22Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.11Å; F243-I246 PolarHBondContact O-N 3.08Å; F243-N247 HydrophobicContact CE1-CB 4.42Å; F243-N247 HydrophobicContact CE2-CB 4.27Å; F243-N247 HydrophobicContact CZ-CB 4.15Å; F243-N247 WeakPolarHBondContact O-CB 3.42Å; F243-N247 PolarHBondContact O-N 3.01Å
244D89.7Confident89.1Confident91 Ų9166.6 Ų66.649%0.48735%0.351SS..Hα-helixtrans-58.3-44.1-178.8-71.8-23.2000111.8A240 I246 N247 E248A240-D244 PolarHBondContact O-N 3.33Å; D244-I246 PolarHBondContact O-N 3.36Å; D244-N247 PolarHBondContact O-N 3.28Å; D244-E248 PolarHBondContact O-N 3.37Å
245K91.5Very high89.1Confident145 Ų14565.3 Ų65.363%0.6334%0.34SS*.Hα-helixtrans-61.9-44177.7-176.1179.4178.7-178.70112.6I241 Q242 F243 N249I241-K245 PolarHBondContact O-N 3.11Å; I241-K245 VanDerWaalsContact O-N 3.16Å; Q242-K245 PolarHBondContact O-N 2.92Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.11Å; K245-N249 PolarHBondContact O-N 2.99Å
246I91.7Very high89.2Confident36 Ų3664.7 Ų64.719%0.18533%0.331CS..Hα-helixtrans-74.6-36.1-179.6-60.7176000110.3T220 E223 Q242 F243 D244 E248 N249 F250T220-I246 WeakPolarHBondContact OG1-CG2 3.36Å; T220-I246 PolarHBondContact OG1-O 3.41Å; E223-I246 HydrophobicContact CB-CD1 4.27Å; E223-I246 HydrophobicContact CG-CD1 4.06Å; Q242-I246 HydrophobicContact CG-CD1 4.12Å; Q242-I246 WeakPolarHBondContact O-CG1 3.43Å; Q242-I246 PolarHBondContact O-N 3.49Å; Q242-I246 VanDerWaalsContact O-N 3.14Å; F243-I246 PolarHBondContact O-N 3.08Å; D244-I246 PolarHBondContact O-N 3.36Å; I246-E248 VanDerWaalsContact C-N 3.32Å; I246-E248 PolarHBondContact O-N 2.96Å; I246-N249 WeakPolarHBondContact O-CB 3.45Å; I246-N249 PolarHBondContact O-N 3.21Å; I246-F250 PolarHBondContact O-N 3.11Å
247N88.8Confident89Confident18 Ų1863 Ų6310%0.09632%0.319CS..Hα-helixtrans-62.8-37.5174.3-169.541.8000112T220 F243 D244 N249 F250 N251T220-N247 HydrophobicContact CG2-CB 3.9Å; F243-N247 HydrophobicContact CE1-CB 4.42Å; F243-N247 HydrophobicContact CE2-CB 4.27Å; F243-N247 HydrophobicContact CZ-CB 4.15Å; F243-N247 WeakPolarHBondContact O-CB 3.42Å; F243-N247 PolarHBondContact O-N 3.01Å; D244-N247 PolarHBondContact O-N 3.28Å; N247-N249 VanDerWaalsContact C-N 3.34Å; N247-N249 PolarHBondContact O-N 3.38Å; N247-F250 PolarHBondContact O-N 3.43Å; N247-N251 WeakPolarHBondContact O-CB 3.03Å; N247-N251 VanDerWaalsContact O-CG 3.32Å; N247-N251 PolarHBondContact O-N 3.22Å; N247-N251 PolarHBondContact O-ND2 3.37Å
248E90.3Very high88.7Confident101 Ų10160.2 Ų60.247%0.47231%0.307SS..Hα-helixtrans-60.7-42.5173-165-168.2158.500112D244 I246 N251 K252D244-E248 PolarHBondContact O-N 3.37Å; I246-E248 VanDerWaalsContact C-N 3.32Å; I246-E248 PolarHBondContact O-N 2.96Å; E248-N251 PolarHBondContact O-N 3.08Å; E248-K252 WeakPolarHBondContact O-CG 3.21Å; E248-K252 PolarHBondContact O-N 3.35Å; E248-K252 WeakPolarHBondContact OE1-CE 3.33Å; E248-K252 IonicContact OE1-NZ 3.23Å; E248-K252 PolarHBondContact OE1-NZ 3.14Å
249N92Very high88.5Confident69 Ų6961.3 Ų61.337%0.36930%0.3SS..Hα-helixtrans-63.3-45.1176-71-22.1000111.7K245 I246 N247 N251 K252 S253K245-N249 PolarHBondContact O-N 2.99Å; I246-N249 WeakPolarHBondContact O-CB 3.45Å; I246-N249 PolarHBondContact O-N 3.21Å; N247-N249 VanDerWaalsContact C-N 3.34Å; N247-N249 PolarHBondContact O-N 3.38Å; N249-N251 VanDerWaalsContact C-N 3.35Å; N249-N251 PolarHBondContact O-N 3.37Å; N249-K252 PolarHBondContact O-N 2.88Å; N249-S253 PolarHBondContact O-N 3.39Å; N249-S253 PolarHBondContact O-OG 3.09Å
250F88.6Confident88.3Confident1 Ų162.7 Ų62.70%0.00430%0.304CS..Hα-helixtrans-58.7-46.5175.9175.7-134.3000111.8L8 V12 L15 A213 D216 C217 T220 I246 N247 K252 S253 L254L8-F250 HydrophobicContact CD1-CD1 4.21Å; L8-F250 HydrophobicContact CD1-CE1 4.06Å; V12-F250 HydrophobicContact CG2-CE1 4.42Å; V12-F250 HydrophobicContact CG2-CZ 4.39Å; L15-F250 HydrophobicContact CD2-CE2 4.25Å; A213-F250 WeakPolarHBondContact O-CE2 3.1Å; D216-F250 HydrophobicContact CB-CB 3.98Å; D216-F250 HydrophobicContact CB-CD2 4.11Å; C217-F250 HydrophobicContact CB-CD2 3.93Å; C217-F250 HydrophobicContact CB-CE2 3.46Å; C217-F250 VanDerWaalsContact CB-CE2 3.46Å; C217-F250 HydrophobicContact CB-CZ 3.8Å; T220-F250 HydrophobicContact CG2-CD1 4.42Å; T220-F250 WeakPolarHBondContact OG1-CB 3.42Å; I246-F250 PolarHBondContact O-N 3.11Å; N247-F250 PolarHBondContact O-N 3.43Å; F250-K252 VanDerWaalsContact C-N 3.34Å; F250-K252 PolarHBondContact O-N 3.44Å; F250-S253 PolarHBondContact O-N 2.79Å; F250-S253 VanDerWaalsContact O-N 3.16Å; F250-L254 HydrophobicContact CD1-CD1 4.23Å; F250-L254 HydrophobicContact CD2-CD1 4.28Å; F250-L254 HydrophobicContact CD2-CD2 4.5Å; F250-L254 HydrophobicContact CD2-CG 3.99Å; F250-L254 HydrophobicContact CE1-CD1 3.77Å; F250-L254 HydrophobicContact CE1-CG 4.45Å; F250-L254 HydrophobicContact CE2-CD1 3.79Å; F250-L254 HydrophobicContact CE2-CD2 3.66Å; F250-L254 HydrophobicContact CE2-CG 3.56Å; F250-L254 HydrophobicContact CG-CD1 4.48Å; F250-L254 HydrophobicContact CZ-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD2 3.93Å; F250-L254 HydrophobicContact CZ-CG 3.85Å; F250-L254 WeakPolarHBondContact O-CG 3.45Å; F250-L254 PolarHBondContact O-N 2.85Å
251N86.3Confident87.9Confident64 Ų6461.4 Ų61.434%0.34229%0.293SS..Hα-helixtrans-60.8-41176.7-72.7-39.1000112.4N247 E248 N249 L254 V255N247-N251 WeakPolarHBondContact O-CB 3.03Å; N247-N251 VanDerWaalsContact O-CG 3.32Å; N247-N251 PolarHBondContact O-N 3.22Å; N247-N251 PolarHBondContact O-ND2 3.37Å; E248-N251 PolarHBondContact O-N 3.08Å; N249-N251 VanDerWaalsContact C-N 3.35Å; N249-N251 PolarHBondContact O-N 3.37Å; N251-L254 PolarHBondContact O-N 2.93Å; N251-V255 WeakPolarHBondContact O-CG2 3.34Å; N251-V255 PolarHBondContact O-N 3.33Å
252K90.6Very high87.4Confident115 Ų11560.9 Ų60.950%0.529%0.288SS..Hα-helixtrans-61.3-43.8174.1-74.4172.2-175.8165.50111.8E248 N249 F250 L254 V255 E256E248-K252 WeakPolarHBondContact O-CG 3.21Å; E248-K252 PolarHBondContact O-N 3.35Å; E248-K252 WeakPolarHBondContact OE1-CE 3.33Å; E248-K252 IonicContact OE1-NZ 3.23Å; E248-K252 PolarHBondContact OE1-NZ 3.14Å; N249-K252 PolarHBondContact O-N 2.88Å; F250-K252 VanDerWaalsContact C-N 3.34Å; F250-K252 PolarHBondContact O-N 3.44Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-V255 PolarHBondContact O-N 3.1Å; K252-E256 PolarHBondContact O-N 2.73Å
253S88.8Confident87.1Confident7 Ų759.8 Ų59.85%0.04929%0.285CS..Hα-helixtrans-66.6-34.6177.6-68.60000112.5K212 D216 N249 F250 L257K212-S253 WeakPolarHBondContact CE-OG 3.46Å; D216-S253 VanDerWaalsContact OD2-CB 3.25Å; D216-S253 WeakPolarHBondContact OD2-CB 3.42Å; D216-S253 PolarHBondContact OD2-OG 3.35Å; N249-S253 PolarHBondContact O-N 3.39Å; N249-S253 PolarHBondContact O-OG 3.09Å; F250-S253 PolarHBondContact O-N 2.79Å; F250-S253 VanDerWaalsContact O-N 3.16Å; S253-L257 VanDerWaalsContact O-CB 3.25Å; S253-L257 WeakPolarHBondContact O-CB 3.3Å; S253-L257 PolarHBondContact O-N 3.28Å
254L83.5Confident86.7Confident6 Ų659.7 Ų59.73%0.03129%0.285CS..Hα-helixtrans-65.8-44.7172.6-74.5177.8000113G11 L14 L15 F250 N251 K252 E256 L257 K258G11-L254 VanDerWaalsContact CA-CD1 3.48Å; L14-L254 HydrophobicContact CD2-CB 4.44Å; L15-L254 HydrophobicContact CB-CD2 3.87Å; L15-L254 HydrophobicContact CD1-CD2 4.23Å; F250-L254 HydrophobicContact CD1-CD1 4.23Å; F250-L254 HydrophobicContact CD2-CD1 4.28Å; F250-L254 HydrophobicContact CD2-CD2 4.5Å; F250-L254 HydrophobicContact CD2-CG 3.99Å; F250-L254 HydrophobicContact CE1-CD1 3.77Å; F250-L254 HydrophobicContact CE1-CG 4.45Å; F250-L254 HydrophobicContact CE2-CD1 3.79Å; F250-L254 HydrophobicContact CE2-CD2 3.66Å; F250-L254 HydrophobicContact CE2-CG 3.56Å; F250-L254 HydrophobicContact CG-CD1 4.48Å; F250-L254 HydrophobicContact CZ-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD2 3.93Å; F250-L254 HydrophobicContact CZ-CG 3.85Å; F250-L254 WeakPolarHBondContact O-CG 3.45Å; F250-L254 PolarHBondContact O-N 2.85Å; N251-L254 PolarHBondContact O-N 2.93Å; K252-L254 VanDerWaalsContact C-N 3.34Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.21Å; L254-L257 PolarHBondContact O-N 3.37Å; L254-K258 WeakPolarHBondContact O-CB 3.32Å; L254-K258 PolarHBondContact O-N 2.75Å
255V85.8Confident86.3Confident105 Ų10556 Ų5664%0.63627%0.265SS*.Hα-helixtrans-60.1-45.3177.2168.90000110.3N251 K252 K258 R259N251-V255 WeakPolarHBondContact O-CG2 3.34Å; N251-V255 PolarHBondContact O-N 3.33Å; K252-V255 PolarHBondContact O-N 3.1Å; V255-K258 PolarHBondContact O-N 3.23Å; V255-R259 PolarHBondContact O-N 3.05Å; V255-R259 VanDerWaalsContact O-N 3.11Å
256E87.8Confident85.8Confident47 Ų4753.7 Ų53.722%0.2226%0.258CS..Hα-helixtrans-67.4-42.9178.4-179.961.4-174.600111.7H209 K252 L254 K258 R259 R260H209-E256 WeakPolarHBondContact CE1-CG 3.33Å; H209-E256 IonicContact CE1-OE1 2.68Å; H209-E256 PolarHBondContact CE1-OE1 3Å; H209-E256 VanDerWaalsContact CE1-OE1 3.22Å; H209-E256 WeakPolarHBondContact ND1-CG 3.14Å; H209-E256 IonicContact ND1-OE1 3.14Å; H209-E256 IonicContact NE2-OE1 3.76Å; H209-E256 PolarHBondContact NE2-OE1 3.37Å; K252-E256 PolarHBondContact O-N 2.73Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 3.21Å; E256-K258 VanDerWaalsContact C-N 3.33Å; E256-K258 PolarHBondContact O-N 3.35Å; E256-R259 VanDerWaalsContact CD-NH2 3.33Å; E256-R259 WeakPolarHBondContact O-CB 2.9Å; E256-R259 PolarHBondContact O-N 2.86Å; E256-R259 IonicContact OE1-CZ 3.74Å; E256-R259 IonicContact OE1-NE 3.91Å; E256-R259 IonicContact OE1-NH2 2.79Å; E256-R259 PolarHBondContact OE1-NH2 3.06Å; E256-R259 IonicContact OE2-CZ 2.86Å; E256-R259 IonicContact OE2-NE 2.81Å; E256-R259 PolarHBondContact OE2-NE 2.85Å; E256-R259 IonicContact OE2-NH2 3.09Å; E256-R259 PolarHBondContact OE2-NH2 3.28Å; E256-R259 VanDerWaalsContact OE2-NH2 3.1Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 2.81Å; E256-R260 IonicContact OE1-CZ 2.63Å; E256-R260 IonicContact OE1-NE 3.4Å; E256-R260 PolarHBondContact OE1-NE 3.07Å; E256-R260 IonicContact OE1-NH2 3.63Å; E256-R260 PolarHBondContact OE1-NH2 3.02Å
257L84.6Confident85.5Confident0 Ų053 Ų530%025%0.254CS..Hα-helixtrans-58.5-45.9174.9178.959.5000111.3L15 L18 I22 M206 H209 R210 A213 S253 L254 R259 R260 V261L15-L257 HydrophobicContact CD1-CD2 3.55Å; L18-L257 HydrophobicContact CB-CD2 4.16Å; L18-L257 HydrophobicContact CB-CG 4.41Å; L18-L257 HydrophobicContact CD1-CB 4.37Å; L18-L257 HydrophobicContact CD1-CD2 3.97Å; L18-L257 HydrophobicContact CD1-CG 3.93Å; I22-L257 HydrophobicContact CD1-CD1 3.89Å; M206-L257 HydrophobicContact CG-CD1 4.29Å; H209-L257 HydrophobicContact CB-CD1 4.36Å; R210-L257 HydrophobicContact CB-CD1 3.89Å; A213-L257 HydrophobicContact CB-CB 4.48Å; A213-L257 HydrophobicContact CB-CD2 3.99Å; S253-L257 VanDerWaalsContact O-CB 3.25Å; S253-L257 WeakPolarHBondContact O-CB 3.3Å; S253-L257 PolarHBondContact O-N 3.28Å; L254-L257 PolarHBondContact O-N 3.37Å; L257-R259 VanDerWaalsContact C-N 3.31Å; L257-R259 PolarHBondContact O-N 3.17Å; L257-R260 WeakPolarHBondContact O-CA 3.41Å; L257-R260 PolarHBondContact O-N 3.49Å; L257-V261 HydrophobicContact CD1-CG2 4.28Å; L257-V261 HydrophobicContact CG-CG2 4.47Å; L257-V261 WeakPolarHBondContact O-CG2 3.49Å; L257-V261 PolarHBondContact O-N 2.91Å
258K81.6Confident85.3Confident99 Ų9952.7 Ų52.743%0.4325%0.252SS..Hα-helixtrans-55.2-47.8176.6-179.4-179.6173-175.60111.1L18 L254 V255 E256 R260 V261 E262L18-K258 HydrophobicContact CD1-CB 4.08Å; L18-K258 HydrophobicContact CD2-CB 4.44Å; L18-K258 HydrophobicContact CD2-CG 4.49Å; L254-K258 WeakPolarHBondContact O-CB 3.32Å; L254-K258 PolarHBondContact O-N 2.75Å; V255-K258 PolarHBondContact O-N 3.23Å; E256-K258 VanDerWaalsContact C-N 3.33Å; E256-K258 PolarHBondContact O-N 3.35Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.2Å; K258-V261 PolarHBondContact O-N 2.89Å; K258-E262 WeakPolarHBondContact CE-OE1 3.07Å; K258-E262 WeakPolarHBondContact O-CG 3.16Å; K258-E262 PolarHBondContact O-N 3.48Å
259R85Confident84.8Confident121 Ų12148.9 Ų48.946%0.45724%0.235SC..Hα-helixtrans-59.1-37.6176.4-170.8-179.572.899.3-8.1112.2V255 E256 L257 N263V255-R259 PolarHBondContact O-N 3.05Å; V255-R259 VanDerWaalsContact O-N 3.11Å; E256-R259 VanDerWaalsContact CD-NH2 3.33Å; E256-R259 WeakPolarHBondContact O-CB 2.9Å; E256-R259 PolarHBondContact O-N 2.86Å; E256-R259 IonicContact OE1-CZ 3.74Å; E256-R259 IonicContact OE1-NE 3.91Å; E256-R259 IonicContact OE1-NH2 2.79Å; E256-R259 PolarHBondContact OE1-NH2 3.06Å; E256-R259 IonicContact OE2-CZ 2.86Å; E256-R259 IonicContact OE2-NE 2.81Å; E256-R259 PolarHBondContact OE2-NE 2.85Å; E256-R259 IonicContact OE2-NH2 3.09Å; E256-R259 PolarHBondContact OE2-NH2 3.28Å; E256-R259 VanDerWaalsContact OE2-NH2 3.1Å; L257-R259 VanDerWaalsContact C-N 3.31Å; L257-R259 PolarHBondContact O-N 3.17Å; R259-N263 WeakPolarHBondContact O-CB 3.28Å; R259-N263 PolarHBondContact O-N 3.02Å
260R86.5Confident84.3Confident57 Ų5747.3 Ų47.322%0.21523%0.226CC..Hα-helixtrans-72.2-36.9177.3-61.3-43.7-179.4153.96.8113.1V205 M206 H209 E256 L257 K258 N263 L264V205-R260 HydrophobicContact CG1-CG 4.37Å; M206-R260 HydrophobicContact CB-CB 3.95Å; M206-R260 HydrophobicContact CG-CB 4.36Å; H209-R260 HydrophobicContact CB-CG 4.13Å; H209-R260 PolarHBondContact NE2-NE 3.15Å; H209-R260 PolarHBondContact NE2-NH2 2.8Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 2.81Å; E256-R260 IonicContact OE1-CZ 2.63Å; E256-R260 IonicContact OE1-NE 3.4Å; E256-R260 PolarHBondContact OE1-NE 3.07Å; E256-R260 IonicContact OE1-NH2 3.63Å; E256-R260 PolarHBondContact OE1-NH2 3.02Å; L257-R260 WeakPolarHBondContact O-CA 3.41Å; L257-R260 PolarHBondContact O-N 3.49Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 3.2Å; R260-N263 PolarHBondContact O-N 2.93Å; R260-L264 WeakPolarHBondContact O-CB 3.15Å; R260-L264 PolarHBondContact O-N 2.97Å
261V79.4Confident84Confident4 Ų448.3 Ų48.32%0.02423%0.23CC..Hα-helixtrans-65-44.7173172.90000110.7L18 L21 I22 M206 L257 K258 N263 L264 E265L18-V261 HydrophobicContact CB-CG2 4.16Å; L18-V261 HydrophobicContact CD2-CB 3.86Å; L18-V261 HydrophobicContact CD2-CG1 3.92Å; L18-V261 HydrophobicContact CD2-CG2 3.87Å; L21-V261 HydrophobicContact CB-CG1 3.94Å; L21-V261 HydrophobicContact CD1-CG1 3.72Å; L21-V261 HydrophobicContact CG-CG1 4.48Å; I22-V261 HydrophobicContact CD1-CG2 3.59Å; I22-V261 HydrophobicContact CG1-CG2 3.75Å; M206-V261 HydrophobicContact CG-CG2 4.25Å; L257-V261 HydrophobicContact CD1-CG2 4.28Å; L257-V261 HydrophobicContact CG-CG2 4.47Å; L257-V261 WeakPolarHBondContact O-CG2 3.49Å; L257-V261 PolarHBondContact O-N 2.91Å; K258-V261 PolarHBondContact O-N 2.89Å; V261-N263 VanDerWaalsContact C-N 3.3Å; V261-N263 PolarHBondContact O-N 2.97Å; V261-L264 WeakPolarHBondContact O-CB 3.15Å; V261-L264 PolarHBondContact O-N 3.17Å; V261-L264 VanDerWaalsContact O-N 3.09Å; V261-E265 HydrophobicContact CG1-CG 4.49Å; V261-E265 WeakPolarHBondContact O-CG 3.45Å; V261-E265 PolarHBondContact O-N 3.24Å
262E80.9Confident83.8Confident100 Ų10045.4 Ų45.447%0.46722%0.215SC..Hα-helixtrans-57.7-43.8174.1-72171.5-179.900111.6K258 E265 I266K258-E262 WeakPolarHBondContact CE-OE1 3.07Å; K258-E262 WeakPolarHBondContact O-CG 3.16Å; K258-E262 PolarHBondContact O-N 3.48Å; E262-E265 PolarHBondContact O-N 3.35Å; E262-I266 WeakPolarHBondContact O-CD1 3.45Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.89Å
263N84.5Confident83.3Confident65 Ų6542.2 Ų42.235%0.34820%0.201SC..Hα-helixtrans-64.3-39.3174.8-177.865.2000112.6R259 R260 V261 I266 N267R259-N263 WeakPolarHBondContact O-CB 3.28Å; R259-N263 PolarHBondContact O-N 3.02Å; R260-N263 PolarHBondContact O-N 2.93Å; V261-N263 VanDerWaalsContact C-N 3.3Å; V261-N263 PolarHBondContact O-N 2.97Å; N263-I266 PolarHBondContact O-N 3.2Å; N263-N267 PolarHBondContact ND2-ND2 2.91Å; N263-N267 PolarHBondContact O-N 2.84Å; N263-N267 PolarHBondContact O-ND2 2.89Å; N263-N267 PolarHBondContact OD1-ND2 2.9Å
264L83.9Confident82.8Confident3 Ų342.5 Ų42.52%0.01620%0.201CC..Hα-helixtrans-60.5-50175.4173.662.2000110.8L199 A202 Q203 M206 R260 V261 I266 N267 R268L199-L264 HydrophobicContact CD1-CD1 3.56Å; A202-L264 HydrophobicContact CB-CD1 4.2Å; Q203-L264 HydrophobicContact CB-CD1 4.35Å; Q203-L264 HydrophobicContact CG-CD1 3.4Å; Q203-L264 VanDerWaalsContact CG-CD1 3.4Å; M206-L264 HydrophobicContact CE-CD2 3.64Å; M206-L264 HydrophobicContact CG-CD2 4.43Å; R260-L264 WeakPolarHBondContact O-CB 3.15Å; R260-L264 PolarHBondContact O-N 2.97Å; V261-L264 WeakPolarHBondContact O-CB 3.15Å; V261-L264 PolarHBondContact O-N 3.17Å; V261-L264 VanDerWaalsContact O-N 3.09Å; L264-I266 VanDerWaalsContact C-N 3.33Å; L264-I266 PolarHBondContact O-N 3.29Å; L264-N267 PolarHBondContact O-N 3.02Å; L264-N267 VanDerWaalsContact O-N 3.14Å; L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 PolarHBondContact O-N 3.42Å
265E79.5Confident82.7Confident14 Ų1443.1 Ų43.17%0.06520%0.204CC..Hα-helixtrans-58-44.6178-71.8-56.9148.400111.9L165 V261 E262 N267 R268 I269L165-E265 HydrophobicContact CD2-CG 4.14Å; V261-E265 HydrophobicContact CG1-CG 4.49Å; V261-E265 WeakPolarHBondContact O-CG 3.45Å; V261-E265 PolarHBondContact O-N 3.24Å; E262-E265 PolarHBondContact O-N 3.35Å; E265-N267 VanDerWaalsContact C-N 3.34Å; E265-N267 PolarHBondContact O-N 3.12Å; E265-R268 PolarHBondContact O-N 3.11Å; E265-I269 VanDerWaalsContact O-CG1 3.27Å; E265-I269 WeakPolarHBondContact O-CG1 3.5Å; E265-I269 PolarHBondContact O-N 2.85Å
266I82.8Confident82.5Confident96 Ų9640.9 Ų40.949%0.49219%0.188SC..Hα-helixtrans-59.3-46.2176.5-69.8165000111E262 N263 L264 N270E262-I266 WeakPolarHBondContact O-CD1 3.45Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.89Å; N263-I266 PolarHBondContact O-N 3.2Å; L264-I266 VanDerWaalsContact C-N 3.33Å; L264-I266 PolarHBondContact O-N 3.29Å; I266-N270 WeakPolarHBondContact O-CB 3.46Å; I266-N270 VanDerWaalsContact O-CG 3.23Å; I266-N270 PolarHBondContact O-N 2.87Å; I266-N270 PolarHBondContact O-ND2 3.32Å
267N84.5Confident82.3Confident20 Ų2040.3 Ų40.311%0.10719%0.189CC..Hα-helixtrans-67.2-39.5179.1-77-68.3000111.6L199 A202 N263 L264 E265 N270 Y271L199-N267 HydrophobicContact CD1-CB 4.47Å; A202-N267 HydrophobicContact CB-CB 4.31Å; N263-N267 PolarHBondContact ND2-ND2 2.91Å; N263-N267 PolarHBondContact O-N 2.84Å; N263-N267 PolarHBondContact O-ND2 2.89Å; N263-N267 PolarHBondContact OD1-ND2 2.9Å; L264-N267 PolarHBondContact O-N 3.02Å; L264-N267 VanDerWaalsContact O-N 3.14Å; E265-N267 VanDerWaalsContact C-N 3.34Å; E265-N267 PolarHBondContact O-N 3.12Å; N267-N270 PolarHBondContact O-N 3.38Å; N267-Y271 WeakPolarHBondContact O-CB 3.38Å; N267-Y271 PolarHBondContact O-N 2.86Å
268R83.7Confident82.4Confident12 Ų1241.2 Ų41.25%0.04519%0.193CC..Hα-helixtrans-60.9-50.1176.2-173.3-178.8-178.1-152.316.6111E24 L199 L264 E265 N270 Y271 L272 S283E24-R268 IonicContact OE1-CZ 3.22Å; E24-R268 IonicContact OE1-NH1 3.16Å; E24-R268 PolarHBondContact OE1-NH1 3.07Å; E24-R268 IonicContact OE1-NH2 3.89Å; E24-R268 PolarHBondContact OE1-NH2 3.24Å; E24-R268 IonicContact OE2-CZ 2.77Å; E24-R268 IonicContact OE2-NE 2.91Å; E24-R268 IonicContact OE2-NH1 3.37Å; E24-R268 PolarHBondContact OE2-NH1 3.26Å; E24-R268 IonicContact OE2-NH2 3.44Å; L199-R268 HydrophobicContact CD1-CB 3.94Å; L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 PolarHBondContact O-N 3.42Å; E265-R268 PolarHBondContact O-N 3.11Å; R268-N270 VanDerWaalsContact C-N 3.3Å; R268-N270 PolarHBondContact O-N 3.21Å; R268-Y271 WeakPolarHBondContact O-CA 3.48Å; R268-Y271 WeakPolarHBondContact O-CB 3.3Å; R268-Y271 PolarHBondContact O-N 3.32Å; R268-Y271 VanDerWaalsContact O-N 3.07Å; R268-L272 HydrophobicContact CG-CD1 4.3Å; R268-L272 HydrophobicContact CG-CG 4.41Å; R268-L272 WeakPolarHBondContact O-CG 3.38Å; R268-L272 PolarHBondContact O-N 2.87Å; R268-S283 PolarHBondContact NH2-O 3.32Å
269I80.5Confident82.5Confident21 Ų2139.4 Ų39.411%0.10819%0.187CC..Hα-helixtrans-66-37.3179.8-53.5160.6000111.3T169 W172 L173 E265 Y271 L272 K273T169-I269 HydrophobicContact CG2-CG1 4.03Å; T169-I269 HydrophobicContact CG2-CG2 4.04Å; W172-I269 HydrophobicContact CE3-CB 4.32Å; W172-I269 HydrophobicContact CE3-CD1 4.4Å; W172-I269 HydrophobicContact CE3-CG2 3.29Å; W172-I269 HydrophobicContact CH2-CG2 4.25Å; W172-I269 HydrophobicContact CZ3-CB 3.79Å; W172-I269 HydrophobicContact CZ3-CD1 4.18Å; W172-I269 HydrophobicContact CZ3-CG2 3.1Å; L173-I269 HydrophobicContact CD2-CG2 4.04Å; L173-I269 HydrophobicContact CG-CG2 4.37Å; E265-I269 VanDerWaalsContact O-CG1 3.27Å; E265-I269 WeakPolarHBondContact O-CG1 3.5Å; E265-I269 PolarHBondContact O-N 2.85Å; I269-Y271 PolarHBondContact O-N 3.38Å; I269-L272 PolarHBondContact O-N 3.32Å; I269-K273 PolarHBondContact O-N 3.47Å
270N81.7Confident82.5Confident37 Ų3733.9 Ų33.920%0.19817%0.166CC..Hα-helixtrans-62.6-33.6173.8-75.7-34.8000112.5K195 I266 N267 R268 K273 F274K195-N270 HydrophobicContact CD-CB 4.24Å; I266-N270 WeakPolarHBondContact O-CB 3.46Å; I266-N270 VanDerWaalsContact O-CG 3.23Å; I266-N270 PolarHBondContact O-N 2.87Å; I266-N270 PolarHBondContact O-ND2 3.32Å; N267-N270 PolarHBondContact O-N 3.38Å; R268-N270 VanDerWaalsContact C-N 3.3Å; R268-N270 PolarHBondContact O-N 3.21Å; N270-K273 PolarHBondContact OD1-NZ 3.07Å; N270-F274 VanDerWaalsContact O-CD2 3.31Å; N270-F274 WeakPolarHBondContact O-CD2 3.4Å; N270-F274 VanDerWaalsContact O-CE2 3.27Å; N270-F274 WeakPolarHBondContact O-CE2 3.27Å
271Y82.8Confident82.5Confident22 Ų2231.2 Ų31.29%0.08616%0.156CC..Hα-helixtrans-72.3-43.5174.2179.5-121.2000112.2Y192 K195 K196 L199 N267 R268 I269 K273 F274 M275Y192-Y271 HydrophobicContact CD2-CD2 4.42Å; Y192-Y271 AromaticContact CD2-CE2 3.85Å; Y192-Y271 HydrophobicContact CD2-CE2 3.85Å; Y192-Y271 HydrophobicContact CE2-CD2 4.21Å; Y192-Y271 AromaticContact CE2-CE2 3.29Å; Y192-Y271 HydrophobicContact CE2-CE2 3.29Å; Y192-Y271 AromaticContact CE2-CZ 3.86Å; Y192-Y271 AromaticContact CZ-CE2 3.82Å; Y192-Y271 PolarHBondContact OH-OH 3.27Å; K195-Y271 HydrophobicContact CB-CD2 4.29Å; K196-Y271 HydrophobicContact CB-CD2 4.16Å; K196-Y271 HydrophobicContact CB-CE2 3.64Å; K196-Y271 HydrophobicContact CG-CE2 3.96Å; L199-Y271 HydrophobicContact CD2-CD1 3.3Å; L199-Y271 HydrophobicContact CD2-CE1 3.89Å; L199-Y271 HydrophobicContact CD2-CG 3.85Å; N267-Y271 WeakPolarHBondContact O-CB 3.38Å; N267-Y271 PolarHBondContact O-N 2.86Å; R268-Y271 WeakPolarHBondContact O-CA 3.48Å; R268-Y271 WeakPolarHBondContact O-CB 3.3Å; R268-Y271 PolarHBondContact O-N 3.32Å; R268-Y271 VanDerWaalsContact O-N 3.07Å; I269-Y271 PolarHBondContact O-N 3.38Å; Y271-K273 PolarHBondContact O-N 3.05Å; Y271-K273 VanDerWaalsContact O-N 3.1Å; Y271-F274 PolarHBondContact O-N 3.41Å; Y271-M275 HydrophobicContact CD1-CE 3.67Å; Y271-M275 HydrophobicContact CE1-CE 3.04Å; Y271-M275 HydrophobicContact CE2-CE 4.42Å; Y271-M275 VanDerWaalsContact CZ-CE 3.46Å
272L81.3Confident82.9Confident2 Ų233.5 Ų33.51%0.0117%0.167CC..Hα-helixtrans-59.3-25.5179.6-71.2175.5000113.5T169 L173 R268 I269 F274 M275 R280 V284T169-L272 HydrophobicContact CG2-CD1 4.23Å; L173-L272 HydrophobicContact CD1-CB 3.79Å; L173-L272 HydrophobicContact CD1-CD1 4.21Å; R268-L272 HydrophobicContact CG-CD1 4.3Å; R268-L272 HydrophobicContact CG-CG 4.41Å; R268-L272 WeakPolarHBondContact O-CG 3.38Å; R268-L272 PolarHBondContact O-N 2.87Å; I269-L272 PolarHBondContact O-N 3.32Å; L272-F274 PolarHBondContact O-N 2.77Å; L272-M275 HydrophobicContact CD2-SD 3.75Å; L272-M275 PolarHBondContact O-N 3.28Å; L272-M275 VanDerWaalsContact O-N 3.11Å; L272-R280 HydrophobicContact CB-CG 4.43Å; L272-R280 HydrophobicContact CD2-CB 4.38Å; L272-R280 HydrophobicContact CD2-CG 4.24Å; L272-R280 PolarHBondContact O-NE 2.89Å; L272-V284 HydrophobicContact CD1-CG2 4.2Å
273K79.8Confident83Confident49 Ų4930.3 Ų30.321%0.21316%0.156CC..THydrogen-bonded Turntrans-57.4-30.4174.5-72.2173.9-177172.20112.9W172 L173 S182 I269 N270 Y271 M275 R280W172-K273 VanDerWaalsContact CZ2-NZ 3.3Å; L173-K273 HydrophobicContact CD2-CB 4.43Å; L173-K273 HydrophobicContact CD2-CG 3.49Å; L173-K273 VanDerWaalsContact CD2-CG 3.49Å; S182-K273 WeakPolarHBondContact CB-O 3.47Å; S182-K273 PolarHBondContact OG-O 3.24Å; I269-K273 PolarHBondContact O-N 3.47Å; N270-K273 PolarHBondContact OD1-NZ 3.07Å; Y271-K273 PolarHBondContact O-N 3.05Å; Y271-K273 VanDerWaalsContact O-N 3.1Å; K273-M275 VanDerWaalsContact C-N 3.33Å; K273-R280 PolarHBondContact O-NH2 3.15Å
274F79.7Confident83Confident13 Ų1327.3 Ų27.36%0.05714%0.14CC..THydrogen-bonded Turntrans-84.7-8.8-178.5-63.6-93.8000113.4H184 D187 N191 Y192 K195 N270 Y271 L272H184-F274 HydrophobicContact CB-CD1 3.61Å; H184-F274 HydrophobicContact CB-CE1 3.69Å; H184-F274 HydrophobicContact CB-CG 4.16Å; H184-F274 HydrophobicContact CB-CZ 4.28Å; D187-F274 WeakPolarHBondContact O-CD1 3.34Å; N191-F274 HydrophobicContact CB-CE1 3.9Å; N191-F274 HydrophobicContact CB-CZ 4.02Å; Y192-F274 HydrophobicContact CD2-CB 3.59Å; Y192-F274 HydrophobicContact CD2-CG 4.09Å; Y192-F274 HydrophobicContact CE2-CB 4.31Å; K195-F274 HydrophobicContact CB-CE2 4.28Å; K195-F274 HydrophobicContact CG-CD2 4.5Å; K195-F274 HydrophobicContact CG-CE2 3.74Å; K195-F274 HydrophobicContact CG-CZ 4.23Å; N270-F274 VanDerWaalsContact O-CD2 3.31Å; N270-F274 WeakPolarHBondContact O-CD2 3.4Å; N270-F274 VanDerWaalsContact O-CE2 3.27Å; N270-F274 WeakPolarHBondContact O-CE2 3.27Å; Y271-F274 PolarHBondContact O-N 3.41Å; L272-F274 PolarHBondContact O-N 2.77Å
275M80.2Confident83Confident18 Ų1827.4 Ų27.49%0.08914%0.141CC..SBendtrans-89.9150.8179.4-69.5-178.4-176.600111.7Y271 L272 K273 E279 R280Y271-M275 HydrophobicContact CD1-CE 3.67Å; Y271-M275 HydrophobicContact CE1-CE 3.04Å; Y271-M275 HydrophobicContact CE2-CE 4.42Å; Y271-M275 VanDerWaalsContact CZ-CE 3.46Å; L272-M275 HydrophobicContact CD2-SD 3.75Å; L272-M275 PolarHBondContact O-N 3.28Å; L272-M275 VanDerWaalsContact O-N 3.11Å; K273-M275 VanDerWaalsContact C-N 3.33Å; M275-E279 WeakPolarHBondContact CA-OE2 3.42Å; M275-E279 HydrophobicContact CB-CB 3.83Å; M275-E279 HydrophobicContact CG-CB 4.13Å; M275-E279 HydrophobicContact SD-CB 4.18Å; M275-R280 HydrophobicContact CB-CG 3.65Å; M275-R280 PolarHBondContact O-NE 3.19Å; M275-R280 PolarHBondContact O-NH2 3.47Å
276N81.3Confident83Confident58 Ų5830.2 Ų30.231%0.3116%0.156SC..  trans-71161.9165.375.754.7000110.7M278 E279 R280N276-M278 VanDerWaalsContact C-N 3.3Å; N276-M278 PolarHBondContact O-N 3.02Å; N276-M278 PolarHBondContact OD1-N 3.04Å; N276-E279 PolarHBondContact N-OE2 3.31Å; N276-E279 WeakPolarHBondContact ND2-CG 3.49Å; N276-E279 PolarHBondContact ND2-OE2 3.36Å; N276-E279 VanDerWaalsContact ND2-OE2 3.09Å; N276-E279 PolarHBondContact O-N 3.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.09Å
277P84.4Confident82.6Confident36 Ų3625.7 Ų25.723%0.23413%0.133CC..Hα-helixtrans-53.1-38.9-176.5-32.939.6000115.9W97 L99 R280 V281W97-P277 HydrophobicContact CB-CB 3.73Å; W97-P277 HydrophobicContact CB-CG 4.14Å; W97-P277 HydrophobicContact CD2-CB 3.98Å; W97-P277 HydrophobicContact CE3-CB 3.93Å; W97-P277 HydrophobicContact CG-CB 3.93Å; W97-P277 HydrophobicContact CG-CG 4.26Å; L99-P277 HydrophobicContact CD2-CB 3.91Å; P277-R280 WeakPolarHBondContact O-CB 3.27Å; P277-R280 PolarHBondContact O-N 2.89Å; P277-V281 WeakPolarHBondContact O-CG2 3.28Å; P277-V281 PolarHBondContact O-N 2.96Å; P277-V281 VanDerWaalsContact O-N 3.08Å
278M85.8Confident82.3Confident18 Ų1824.7 Ų24.79%0.08913%0.128CC..Hα-helixtrans-74.3-42.5-178.9-169.963.9-15700111.5M104 F105 N276 R280 V281 I282M104-M278 HydrophobicContact CB-CE 3.87Å; M104-M278 HydrophobicContact CG-CE 3.71Å; M104-M278 HydrophobicContact SD-CE 3.93Å; F105-M278 HydrophobicContact CB-CE 4.2Å; F105-M278 HydrophobicContact CB-SD 3.77Å; F105-M278 HydrophobicContact CD2-SD 4.21Å; N276-M278 VanDerWaalsContact C-N 3.3Å; N276-M278 PolarHBondContact O-N 3.02Å; N276-M278 PolarHBondContact OD1-N 3.04Å; M278-R280 PolarHBondContact O-N 3.01Å; M278-V281 PolarHBondContact O-N 3.43Å; M278-V281 VanDerWaalsContact O-N 3.11Å; M278-I282 HydrophobicContact CE-CD1 3.97Å; M278-I282 HydrophobicContact CE-CG1 3.78Å; M278-I282 HydrophobicContact CG-CD1 4.09Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 2.83Å
279E84.2Confident81.8Confident62 Ų6227.5 Ų27.529%0.2914%0.141SC..Hα-helixtrans-54.6-40171.4-75.7172.4151.100110.9K188 M275 N276 S283K188-E279 IonicContact NZ-OE1 3.01Å; K188-E279 PolarHBondContact NZ-OE1 2.77Å; K188-E279 IonicContact NZ-OE2 4Å; M275-E279 WeakPolarHBondContact CA-OE2 3.42Å; M275-E279 HydrophobicContact CB-CB 3.83Å; M275-E279 HydrophobicContact CG-CB 4.13Å; M275-E279 HydrophobicContact SD-CB 4.18Å; N276-E279 PolarHBondContact N-OE2 3.31Å; N276-E279 WeakPolarHBondContact ND2-CG 3.49Å; N276-E279 PolarHBondContact ND2-OE2 3.36Å; N276-E279 VanDerWaalsContact ND2-OE2 3.09Å; N276-E279 PolarHBondContact O-N 3.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; E279-S283 VanDerWaalsContact O-CB 3.28Å; E279-S283 WeakPolarHBondContact O-CB 3.31Å; E279-S283 PolarHBondContact O-N 3.03Å
280R85.7Confident81Confident5 Ų528.2 Ų28.22%0.01914%0.144CC..Hα-helixtrans-63.7-46.4175.2-65169.6-171.8170.15.4112.2W97 L173 L272 K273 M275 N276 P277 M278 I282 S283 V284W97-R280 HydrophobicContact CH2-CB 4.11Å; W97-R280 HydrophobicContact CZ3-CB 4.14Å; L173-R280 PolarHBondContact O-NH1 3.48Å; L272-R280 HydrophobicContact CB-CG 4.43Å; L272-R280 HydrophobicContact CD2-CB 4.38Å; L272-R280 HydrophobicContact CD2-CG 4.24Å; L272-R280 PolarHBondContact O-NE 2.89Å; K273-R280 PolarHBondContact O-NH2 3.15Å; M275-R280 HydrophobicContact CB-CG 3.65Å; M275-R280 PolarHBondContact O-NE 3.19Å; M275-R280 PolarHBondContact O-NH2 3.47Å; N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.09Å; P277-R280 WeakPolarHBondContact O-CB 3.27Å; P277-R280 PolarHBondContact O-N 2.89Å; M278-R280 PolarHBondContact O-N 3.01Å; R280-I282 VanDerWaalsContact C-N 3.33Å; R280-I282 PolarHBondContact O-N 2.92Å; R280-S283 PolarHBondContact O-N 3.1Å; R280-V284 VanDerWaalsContact O-CG2 3.3Å; R280-V284 WeakPolarHBondContact O-CG2 3.46Å; R280-V284 PolarHBondContact O-N 2.88Å
281V86.8Confident80Confident1 Ų126.6 Ų26.61%0.00614%0.135CC..Hα-helixtrans-58.7-48.9178.9168.60000110.1Y89 L90 A93 W97 L99 F105 P277 M278 V284 I285Y89-V281 HydrophobicContact CE1-CB 4.46Å; Y89-V281 HydrophobicContact CE1-CG1 4.31Å; Y89-V281 HydrophobicContact CE1-CG2 4.27Å; L90-V281 HydrophobicContact CD2-CG1 3.57Å; A93-V281 HydrophobicContact CB-CG2 3.72Å; W97-V281 HydrophobicContact CE3-CG2 4.05Å; W97-V281 HydrophobicContact CZ3-CG2 3.74Å; L99-V281 HydrophobicContact CD1-CG2 3.82Å; F105-V281 HydrophobicContact CD2-CG1 4.37Å; F105-V281 HydrophobicContact CE2-CG1 4.42Å; P277-V281 WeakPolarHBondContact O-CG2 3.28Å; P277-V281 PolarHBondContact O-N 2.96Å; P277-V281 VanDerWaalsContact O-N 3.08Å; M278-V281 PolarHBondContact O-N 3.43Å; M278-V281 VanDerWaalsContact O-N 3.11Å; V281-V284 PolarHBondContact O-N 2.89Å; V281-I285 HydrophobicContact CG1-CG1 4.18Å; V281-I285 WeakPolarHBondContact O-CB 3.46Å; V281-I285 VanDerWaalsContact O-CG1 3.29Å; V281-I285 WeakPolarHBondContact O-CG1 3.39Å; V281-I285 PolarHBondContact O-N 3.38Å
282I86.6Confident78.7Confident51 Ų5126 Ų2626%0.26213%0.134SC..Hα-helixtrans-60.2-51.9179.7-64.6165.1000109.8M104 M278 R280 V284 I285 D286M104-I282 HydrophobicContact SD-CD1 3.42Å; M104-I282 WeakPolarHBondContact SD-CD1 3.32Å; M104-I282 HydrophobicContact SD-CG1 4.34Å; M278-I282 HydrophobicContact CE-CD1 3.97Å; M278-I282 HydrophobicContact CE-CG1 3.78Å; M278-I282 HydrophobicContact CG-CD1 4.09Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 2.83Å; R280-I282 VanDerWaalsContact C-N 3.33Å; R280-I282 PolarHBondContact O-N 2.92Å; I282-V284 PolarHBondContact O-N 3.4Å; I282-V284 VanDerWaalsContact O-N 3.07Å; I282-I285 PolarHBondContact O-N 2.91Å; I282-D286 WeakPolarHBondContact CG2-OD2 3.39Å; I282-D286 WeakPolarHBondContact O-CB 3.17Å; I282-D286 PolarHBondContact O-N 3.33Å
283S82.9Confident77.2Confident34 Ų3430 Ų3024%0.23816%0.156CC..Hα-helixtrans-58.9-27.3179.5179.20000113.7R268 E279 R280 A287R268-S283 PolarHBondContact NH2-O 3.32Å; E279-S283 VanDerWaalsContact O-CB 3.28Å; E279-S283 WeakPolarHBondContact O-CB 3.31Å; E279-S283 PolarHBondContact O-N 3.03Å; R280-S283 PolarHBondContact O-N 3.1Å; S283-A287 WeakPolarHBondContact O-CB 3.4Å
284V84Confident75.3Confident2 Ų228.2 Ų28.21%0.01215%0.148CC..Hα-helixtrans-86.1-34.1176.4176.20000112.6W85 Y89 L272 R280 V281 I282 M288W85-V284 HydrophobicContact CH2-CG1 3.83Å; W85-V284 HydrophobicContact CZ2-CG1 4.01Å; Y89-V284 HydrophobicContact CD2-CG1 4.2Å; Y89-V284 HydrophobicContact CE1-CB 4.08Å; Y89-V284 HydrophobicContact CE1-CG1 3.97Å; Y89-V284 HydrophobicContact CE2-CB 4.26Å; Y89-V284 HydrophobicContact CE2-CG1 3.6Å; Y89-V284 VanDerWaalsContact CZ-CG1 3.49Å; Y89-V284 WeakPolarHBondContact OH-CB 3.4Å; Y89-V284 WeakPolarHBondContact OH-CG2 3.12Å; L272-V284 HydrophobicContact CD1-CG2 4.2Å; R280-V284 VanDerWaalsContact O-CG2 3.3Å; R280-V284 WeakPolarHBondContact O-CG2 3.46Å; R280-V284 PolarHBondContact O-N 2.88Å; V281-V284 PolarHBondContact O-N 2.89Å; I282-V284 PolarHBondContact O-N 3.4Å; I282-V284 VanDerWaalsContact O-N 3.07Å; V284-M288 WeakPolarHBondContact O-CB 3.14Å; V284-M288 PolarHBondContact O-N 3.32Å
285I85Confident73.6Confident5 Ų527.7 Ų27.73%0.02615%0.146CC..Hα-helixtrans-71-51.5174.9-69.4-68.5000111W85 A86 Y89 L90 Y112 V281 I282 A287 M288 E289W85-I285 HydrophobicContact CH2-CD1 4.36Å; W85-I285 HydrophobicContact CZ3-CD1 3.92Å; A86-I285 HydrophobicContact CB-CD1 4.23Å; Y89-I285 HydrophobicContact CD1-CD1 4.28Å; L90-I285 HydrophobicContact CD1-CD1 4.46Å; L90-I285 HydrophobicContact CD2-CD1 4.26Å; L90-I285 HydrophobicContact CD2-CG1 4.33Å; L90-I285 HydrophobicContact CG-CD1 4.25Å; Y112-I285 HydrophobicContact CE2-CD1 4.25Å; Y112-I285 HydrophobicContact CE2-CG2 4.05Å; V281-I285 HydrophobicContact CG1-CG1 4.18Å; V281-I285 WeakPolarHBondContact O-CB 3.46Å; V281-I285 VanDerWaalsContact O-CG1 3.29Å; V281-I285 WeakPolarHBondContact O-CG1 3.39Å; V281-I285 PolarHBondContact O-N 3.38Å; I282-I285 PolarHBondContact O-N 2.91Å; I285-A287 PolarHBondContact O-N 3.14Å; I285-M288 CarbonylContact O-C 3.6Å; I285-M288 WeakPolarHBondContact O-CA 3.36Å; I285-M288 WeakPolarHBondContact O-CB 3.33Å; I285-M288 PolarHBondContact O-N 3.13Å; I285-E289 HydrophobicContact CG2-CG 4.19Å; I285-E289 PolarHBondContact O-N 2.87Å
286D80Confident71.8Confident72 Ų7229.5 Ų29.539%0.38515%0.152SC..Hα-helixtrans-53.9-46.2178.7-64.7-4.9000109.9I282 M288 E289 E290I282-D286 WeakPolarHBondContact CG2-OD2 3.39Å; I282-D286 WeakPolarHBondContact O-CB 3.17Å; I282-D286 PolarHBondContact O-N 3.33Å; D286-M288 VanDerWaalsContact C-N 3.28Å; D286-M288 PolarHBondContact O-N 3.2Å; D286-E289 PolarHBondContact O-N 3.16Å; D286-E289 VanDerWaalsContact O-N 3.15Å; D286-E290 WeakPolarHBondContact O-CB 3.49Å; D286-E290 WeakPolarHBondContact O-CG 3.37Å; D286-E290 PolarHBondContact O-N 2.57Å
287A72.8Confident69.5Low1 Ų129.2 Ų29.21%0.00816%0.163CC..Hα-helixtrans-58.9-37.6176.400000114.2E24 S283 I285 E291E24-A287 VanDerWaalsContact CA-CA 3.48Å; E24-A287 WeakPolarHBondContact CA-O 3.36Å; E24-A287 HydrophobicContact CB-CB 3.37Å; E24-A287 HydrophobicContact CG-CB 3.61Å; E24-A287 WeakPolarHBondContact OE1-CB 3.26Å; S283-A287 WeakPolarHBondContact O-CB 3.4Å; I285-A287 PolarHBondContact O-N 3.14Å; A287-E291 PolarHBondContact O-N 2.9Å
288M78.7Confident66.8Low0 Ų031.8 Ų31.80%018%0.178CC..Hα-helixtrans-77-33.1176.6-176-11926.800112.4Q82 W85 A86 Y112 W159 V284 I285 D286 E291Q82-M288 HydrophobicContact CG-CE 3.93Å; Q82-M288 HydrophobicContact CG-CG 4.41Å; Q82-M288 HydrophobicContact CG-SD 3.24Å; Q82-M288 WeakPolarHBondContact CG-SD 3.45Å; Q82-M288 VanDerWaalsContact NE2-CE 3.35Å; Q82-M288 PolarHBondContact NE2-O 3.41Å; W85-M288 HydrophobicContact CD2-CG 4.27Å; W85-M288 HydrophobicContact CD2-SD 4.12Å; W85-M288 HydrophobicContact CE3-CB 4.37Å; W85-M288 HydrophobicContact CE3-CE 4.32Å; W85-M288 HydrophobicContact CE3-CG 3.57Å; W85-M288 HydrophobicContact CE3-SD 3.06Å; W85-M288 HydrophobicContact CH2-CB 3.72Å; W85-M288 HydrophobicContact CH2-CG 3.79Å; W85-M288 HydrophobicContact CH2-SD 4.15Å; W85-M288 HydrophobicContact CZ2-CG 4.43Å; W85-M288 HydrophobicContact CZ3-CB 3.63Å; W85-M288 HydrophobicContact CZ3-CE 3.93Å; W85-M288 HydrophobicContact CZ3-CG 3.33Å; W85-M288 HydrophobicContact CZ3-SD 3.1Å; W85-M288 WeakPolarHBondContact CZ3-SD 3.39Å; A86-M288 HydrophobicContact CB-CE 4.35Å; A86-M288 HydrophobicContact CB-SD 4.28Å; Y112-M288 HydrophobicContact CE1-CE 4.15Å; Y112-M288 WeakPolarHBondContact OH-CE 3.25Å; W159-M288 HydrophobicContact CH2-CG 3.75Å; W159-M288 HydrophobicContact CH2-SD 4.09Å; W159-M288 HydrophobicContact CZ3-CG 3.53Å; W159-M288 HydrophobicContact CZ3-SD 3.94Å; V284-M288 WeakPolarHBondContact O-CB 3.14Å; V284-M288 PolarHBondContact O-N 3.32Å; I285-M288 CarbonylContact O-C 3.6Å; I285-M288 WeakPolarHBondContact O-CA 3.36Å; I285-M288 WeakPolarHBondContact O-CB 3.33Å; I285-M288 PolarHBondContact O-N 3.13Å; D286-M288 VanDerWaalsContact C-N 3.28Å; D286-M288 PolarHBondContact O-N 3.2Å; M288-E291 WeakPolarHBondContact O-CB 3.38Å; M288-E291 PolarHBondContact O-N 2.84Å
289E73.2Confident64.1Low71 Ų7135.8 Ų35.833%0.33219%0.193SC..Hα-helixtrans-69.8-44.5175.5-71.4-179.6175.100110.6Y112 I285 D286 E291 V292 D293Y112-E289 VanDerWaalsContact OH-CD 3.25Å; Y112-E289 WeakPolarHBondContact OH-CG 3.38Å; Y112-E289 PolarHBondContact OH-OE1 2.8Å; I285-E289 HydrophobicContact CG2-CG 4.19Å; I285-E289 PolarHBondContact O-N 2.87Å; D286-E289 PolarHBondContact O-N 3.16Å; D286-E289 VanDerWaalsContact O-N 3.15Å; E289-E291 PolarHBondContact O-N 3.18Å; E289-E291 VanDerWaalsContact O-N 3.15Å; E289-V292 CarbonylContact O-C 3.5Å; E289-V292 WeakPolarHBondContact O-CA 3.44Å; E289-V292 PolarHBondContact O-N 3.29Å; E289-D293 PolarHBondContact O-N 3.3Å
290E63.3Low61.4Low35 Ų3544.6 Ų44.616%0.16424%0.237CC..Hα-helixtrans-54.3-33.5170.1-74.2171.6-155.900111C23 A25 Q26 D286 V292 H294C23-E290 HydrophobicContact CB-CB 4.36Å; C23-E290 WeakPolarHBondContact CB-O 3.22Å; C23-E290 VanDerWaalsContact O-CB 3.24Å; C23-E290 WeakPolarHBondContact O-CB 3.43Å; A25-E290 PolarHBondContact N-OE2 3.21Å; Q26-E290 WeakPolarHBondContact CA-OE2 3.23Å; Q26-E290 PolarHBondContact N-OE2 3.49Å; Q26-E290 VanDerWaalsContact O-CD 3.25Å; D286-E290 WeakPolarHBondContact O-CB 3.49Å; D286-E290 WeakPolarHBondContact O-CG 3.37Å; D286-E290 PolarHBondContact O-N 2.57Å; E290-V292 PolarHBondContact O-N 3.37Å; E290-H294 WeakPolarHBondContact O-CB 3.28Å; E290-H294 VanDerWaalsContact O-CG 3.31Å; E290-H294 PolarHBondContact O-N 3.37Å; E290-H294 PolarHBondContact O-ND1 3.05Å
291E60.8Low60.2Low3 Ų346.6 Ų46.61%0.01425%0.248CC..Hα-helixtrans-56.8-34.5173-159.6-171.8138.300113.5G20 C23 K158 R162 A287 M288 E289 K295G20-E291 VanDerWaalsContact C-OE2 3.24Å; G20-E291 VanDerWaalsContact CA-CG 3.44Å; G20-E291 WeakPolarHBondContact CA-OE1 3.31Å; G20-E291 WeakPolarHBondContact CA-OE2 3.27Å; G20-E291 WeakPolarHBondContact O-CG 3.42Å; C23-E291 HydrophobicContact CB-CB 3.99Å; C23-E291 HydrophobicContact CB-CG 4.22Å; K158-E291 WeakPolarHBondContact CE-OE1 3.2Å; K158-E291 IonicContact NZ-OE1 3.53Å; K158-E291 PolarHBondContact NZ-OE1 3.11Å; R162-E291 IonicContact NH1-OE2 3.85Å; R162-E291 PolarHBondContact NH1-OE2 3.47Å; R162-E291 VanDerWaalsContact NH1-OE2 3.16Å; A287-E291 PolarHBondContact O-N 2.9Å; M288-E291 WeakPolarHBondContact O-CB 3.38Å; M288-E291 PolarHBondContact O-N 2.84Å; E289-E291 PolarHBondContact O-N 3.18Å; E289-E291 VanDerWaalsContact O-N 3.15Å; E291-K295 WeakPolarHBondContact O-CE 3.39Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 IonicContact OE1-NZ 3.15Å
292V56.6Low58.8Low11 Ų1148.9 Ų48.97%0.06726%0.26CS..Hα-helixtrans-102.1-35.9-172.8-178.10000113.1Q82 W159 E289 E290 H294 K295 Y296Q82-V292 HydrophobicContact CG-CG2 4.06Å; W159-V292 HydrophobicContact CH2-CG2 4.03Å; W159-V292 HydrophobicContact CZ2-CG2 3.8Å; E289-V292 CarbonylContact O-C 3.5Å; E289-V292 WeakPolarHBondContact O-CA 3.44Å; E289-V292 PolarHBondContact O-N 3.29Å; E290-V292 PolarHBondContact O-N 3.37Å; V292-H294 VanDerWaalsContact C-N 3.27Å; V292-H294 PolarHBondContact O-N 2.97Å; V292-K295 HydrophobicContact CB-CD 4.5Å; V292-K295 HydrophobicContact CG1-CD 4.46Å; V292-K295 HydrophobicContact CG2-CD 4.33Å; V292-K295 WeakPolarHBondContact O-CA 3.48Å; V292-K295 WeakPolarHBondContact O-CB 3.41Å; V292-K295 PolarHBondContact O-N 2.96Å; V292-Y296 HydrophobicContact CG1-CD2 3.96Å; V292-Y296 HydrophobicContact CG1-CE2 4.05Å; V292-Y296 PolarHBondContact O-N 2.91Å
293D48.7Very low57.3Low85 Ų8548.8 Ų48.846%0.45526%0.26SS..Hα-helixtrans-63-38.8176.5-73.7-14.1000111E289 K295 Y296 G297E289-D293 PolarHBondContact O-N 3.3Å; D293-K295 PolarHBondContact O-N 3.12Å; D293-Y296 PolarHBondContact O-N 3.24Å; D293-G297 PolarHBondContact O-N 3.28Å
294H41.3Very low55.8Low12 Ų1249.7 Ų49.76%0.05626%0.261CS..Hα-helixtrans-58.6-29.7168.8-69.853000111.7Q26 G41 E290 V292 Y296Q26-H294 PolarHBondContact OE1-NE2 3.44Å; G41-H294 WeakPolarHBondContact CA-O 2.94Å; E290-H294 WeakPolarHBondContact O-CB 3.28Å; E290-H294 VanDerWaalsContact O-CG 3.31Å; E290-H294 PolarHBondContact O-N 3.37Å; E290-H294 PolarHBondContact O-ND1 3.05Å; V292-H294 VanDerWaalsContact C-N 3.27Å; V292-H294 PolarHBondContact O-N 2.97Å; H294-Y296 PolarHBondContact O-N 3.19Å
295K43.2Very low54Low1 Ų152.7 Ų52.70%0.00428%0.277CS..Hα-helixtrans-74.5-22.7-178.2-53.9179.9-175.5155.50114.1Y44 I45 E78 K158 E291 V292 D293Y44-K295 HydrophobicContact CD1-CB 4.25Å; Y44-K295 HydrophobicContact CD1-CD 4.32Å; Y44-K295 HydrophobicContact CD1-CG 3.64Å; Y44-K295 HydrophobicContact CE1-CB 4.22Å; Y44-K295 HydrophobicContact CE1-CD 3.53Å; Y44-K295 HydrophobicContact CE1-CG 3.36Å; Y44-K295 WeakPolarHBondContact OH-CE 3.49Å; I45-K295 WeakPolarHBondContact CD1-O 3.3Å; I45-K295 WeakPolarHBondContact CG1-O 3.09Å; E78-K295 IonicContact OE2-NZ 2.78Å; E78-K295 PolarHBondContact OE2-NZ 2.82Å; K158-K295 VanDerWaalsContact NZ-CE 3.34Å; E291-K295 WeakPolarHBondContact O-CE 3.39Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 IonicContact OE1-NZ 3.15Å; V292-K295 HydrophobicContact CB-CD 4.5Å; V292-K295 HydrophobicContact CG1-CD 4.46Å; V292-K295 HydrophobicContact CG2-CD 4.33Å; V292-K295 WeakPolarHBondContact O-CA 3.48Å; V292-K295 WeakPolarHBondContact O-CB 3.41Å; V292-K295 PolarHBondContact O-N 2.96Å; D293-K295 PolarHBondContact O-N 3.12Å
296Y43.2Very low52Low56 Ų5655.9 Ų55.922%0.2229%0.294CS..Hα-helixtrans-134.3-5.6-168.3-58.8-67.7000114.8H75 V292 D293 H294 V298H75-Y296 VanDerWaalsContact CA-OH 3.27Å; H75-Y296 WeakPolarHBondContact CA-OH 3.4Å; H75-Y296 HydrophobicContact CB-CD1 4.2Å; H75-Y296 HydrophobicContact CB-CE1 3.56Å; H75-Y296 HydrophobicContact CB-CE2 4.41Å; H75-Y296 AromaticContact CE1-CD1 3.9Å; H75-Y296 AromaticContact CE1-CD2 3.38Å; H75-Y296 WeakPolarHBondContact CE1-CD2 3.5Å; H75-Y296 AromaticContact CE1-CE2 3.81Å; H75-Y296 AromaticContact CE1-CG 3.46Å; H75-Y296 VanDerWaalsContact CE1-CG 3.46Å; H75-Y296 AromaticContact CG-CD1 3.9Å; H75-Y296 AromaticContact CG-CE1 3.7Å; H75-Y296 AromaticContact CG-CZ 3.82Å; H75-Y296 AromaticContact ND1-CD1 3.11Å; H75-Y296 WeakPolarHBondContact ND1-CD1 3.15Å; H75-Y296 AromaticContact ND1-CD2 2.97Å; H75-Y296 WeakPolarHBondContact ND1-CD2 3.4Å; H75-Y296 AromaticContact ND1-CE1 3.17Å; H75-Y296 WeakPolarHBondContact ND1-CE1 3.49Å; H75-Y296 AromaticContact ND1-CE2 3.01Å; H75-Y296 WeakPolarHBondContact ND1-CE2 3.2Å; H75-Y296 AromaticContact ND1-CG 3.05Å; H75-Y296 AromaticContact ND1-CZ 3.16Å; V292-Y296 HydrophobicContact CG1-CD2 3.96Å; V292-Y296 HydrophobicContact CG1-CE2 4.05Å; V292-Y296 PolarHBondContact O-N 2.91Å; D293-Y296 PolarHBondContact O-N 3.24Å; H294-Y296 PolarHBondContact O-N 3.19Å; Y296-V298 PolarHBondContact O-N 3.29Å; Y296-V298 VanDerWaalsContact O-N 3.16Å
297G31.3Very low49.9Very low53 Ų5354.7 Ų54.755%0.54629%0.287SS..  trans59.825.7176.700000113.1D293 Y299D293-G297 PolarHBondContact O-N 3.28Å; G297-Y299 PolarHBondContact O-N 2.96Å; G297-Y299 VanDerWaalsContact O-N 3.11Å
298V29.4Very low48.2Very low90 Ų9058.8 Ų58.855%0.54531%0.309SS..  trans-82.688.7-179.5-173.90000107.6Y296Y296-V298 PolarHBondContact O-N 3.29Å; Y296-V298 VanDerWaalsContact O-N 3.16Å
299Y28.3Very low45.6Very low102 Ų10263.8 Ų63.840%0.433%0.334SS..  trans-77.4118.1157.8-73.9-82.6000107.9M33 H34 I37 G297M33-Y299 HydrophobicContact CE-CD1 3.93Å; M33-Y299 HydrophobicContact CE-CE1 3.17Å; M33-Y299 HydrophobicContact CG-CE1 4.34Å; M33-Y299 WeakPolarHBondContact CG-OH 3.07Å; M33-Y299 HydrophobicContact SD-CE1 3.92Å; H34-Y299 AromaticContact ND1-CE2 3.92Å; I37-Y299 WeakPolarHBondContact CD1-OH 3.18Å; G297-Y299 PolarHBondContact O-N 2.96Å; G297-Y299 VanDerWaalsContact O-N 3.11Å
300M28.3Very low43.1Very low246 Ų24663.1 Ų63.1100%1.21234%0.335SS*.  trans-72.10137.2-69.3-166.2-140.300108.5

Retrieved 300 of 300 residues in 121.4 ms (Link to these results)

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