A0A077ZLY9_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZLY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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
1M44.5Very low55.4Low122 Ų12294 Ų9460%0.60153%0.529SS*.  0-33.90-81.9178.7-178.200112.1N3 M4 L5 A13 V18M1-N3 PolarHBondContact O-N 3.34Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 3.44Å; M1-L5 PolarHBondContact O-N 3.29Å; M1-A13 HydrophobicContact CB-CB 3.87Å; M1-V18 HydrophobicContact SD-CG2 4.03Å
2D44.8Very low56Low104 Ų10495.5 Ų95.556%0.55653%0.526SS*.THydrogen-bonded Turntrans-46.8-34.7-179.6-61.98.4000115.5P6 A13D2-P6 WeakPolarHBondContact O-CD 3.37Å; D2-A13 WeakPolarHBondContact OD1-CB 3.45Å
3N51.7Low56.5Low156 Ų15689.9 Ų89.983%0.83450%0.5SS*.THydrogen-bonded Turntrans-77.8-17.4178.4-68.2-0.4000114.4M1 P6M1-N3 PolarHBondContact O-N 3.34Å; N3-P6 VanDerWaalsContact C-CD 3.47Å; N3-P6 VanDerWaalsContact O-CD 3.27Å; N3-P6 WeakPolarHBondContact O-CD 3.46Å
4M52.8Low56.7Low167 Ų16792.3 Ų92.382%0.82350%0.499SS*.THydrogen-bonded Turntrans-94.4-22.1-176.4-69.2-82.8-74.500113.1M1M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 3.44Å
5L52.4Low57.4Low40 Ų4094.3 Ų94.321%0.20951%0.508CS..SBendtrans-108.812-177.1-63.6166.2000116.3M1 G7 I8 V11 A13 V18M1-L5 PolarHBondContact O-N 3.29Å; L5-G7 PolarHBondContact O-N 3.23Å; L5-I8 HydrophobicContact CD2-CD1 3.81Å; L5-V11 HydrophobicContact CD1-CG1 4.46Å; L5-V11 HydrophobicContact CD2-CG1 4.4Å; L5-A13 HydrophobicContact CD1-CB 3.91Å; L5-V18 HydrophobicContact CD1-CB 4.47Å; L5-V18 HydrophobicContact CD1-CG1 3.99Å; L5-V18 HydrophobicContact CD1-CG2 3.67Å
6P49.9Very low57.8Low99 Ų99102.3 Ų102.364%0.64353%0.529SS*.THydrogen-bonded Turntrans-68.7128-179.429-31.1000110.6D2 N3D2-P6 WeakPolarHBondContact O-CD 3.37Å; N3-P6 VanDerWaalsContact C-CD 3.47Å; N3-P6 VanDerWaalsContact O-CD 3.27Å; N3-P6 WeakPolarHBondContact O-CD 3.46Å
7G55.4Low58.3Low84 Ų84100.5 Ų100.587%0.86652%0.52SS*.THydrogen-bonded Turntrans101.6-7.1172.400000115.7L5 K9L5-G7 PolarHBondContact O-N 3.23Å; G7-K9 PolarHBondContact O-N 2.88Å
8I62.9Low58.8Low95 Ų9598.7 Ų98.749%0.48751%0.514SS..  trans-77.7124.3170.9-50.1178.8000108.1L5 D10 V11L5-I8 HydrophobicContact CD2-CD1 3.81Å; I8-D10 PolarHBondContact O-N 2.77Å; I8-V11 HydrophobicContact CB-CB 4.02Å; I8-V11 HydrophobicContact CB-CG2 4.05Å; I8-V11 HydrophobicContact CG2-CB 3.99Å; I8-V11 HydrophobicContact CG2-CG2 3.44Å; I8-V11 VanDerWaalsContact CG2-CG2 3.44Å; I8-V11 PolarHBondContact O-N 2.89Å
9K63Low59.3Low102 Ų10296.7 Ų96.744%0.44350%0.504SS..THydrogen-bonded Turntrans-62.6134.8-177.6-172.4-164.9167.6-129.60109.3G7 V11G7-K9 PolarHBondContact O-N 2.88Å; K9-V11 PolarHBondContact O-N 3.32Å
10D64.7Low59.8Low46 Ų4693.9 Ų93.925%0.24649%0.489CS..THydrogen-bonded Turntrans58.617.7175-50.9-40.6000115.2I8 I20 V21I8-D10 PolarHBondContact O-N 2.77Å; D10-I20 CarbonylContact O-C 3.48Å; D10-I20 WeakPolarHBondContact O-CA 3.49Å; D10-V21 HydrophobicContact CB-CB 4.28Å; D10-V21 WeakPolarHBondContact CB-O 3.31Å; D10-V21 PolarHBondContact O-N 3.12Å
11V67.1Low60.2Low19 Ų1992.8 Ų92.812%0.11549%0.486CS..EExtended strand (participates in β ladder)trans-109130.1173.4-178.30000110L5 I8 K9 V18 I19 I20L5-V11 HydrophobicContact CD1-CG1 4.46Å; L5-V11 HydrophobicContact CD2-CG1 4.4Å; I8-V11 HydrophobicContact CB-CB 4.02Å; I8-V11 HydrophobicContact CB-CG2 4.05Å; I8-V11 HydrophobicContact CG2-CB 3.99Å; I8-V11 HydrophobicContact CG2-CG2 3.44Å; I8-V11 VanDerWaalsContact CG2-CG2 3.44Å; I8-V11 PolarHBondContact O-N 2.89Å; K9-V11 PolarHBondContact O-N 3.32Å; V11-V18 HydrophobicContact CG1-CG1 3.47Å; V11-V18 VanDerWaalsContact CG1-CG1 3.47Å; V11-I19 CarbonylContact C-O 3.56Å; V11-I19 WeakPolarHBondContact CA-O 3.37Å; V11-I20 HydrophobicContact CG1-CG1 4.23Å; V11-I20 HydrophobicContact CG2-CD1 4.38Å; V11-I20 HydrophobicContact CG2-CG1 3.95Å; V11-I20 HydrophobicContact CG2-CG2 4.26Å
12F62.9Low61.2Low112 Ų11288.3 Ų88.349%0.49147%0.471SS..EExtended strand (participates in β ladder)trans-127.8130.3-179.1-52.7-88.3000109.3V18 I19 V21F12-V18 CarbonylContact O-C 3.53Å; F12-V18 WeakPolarHBondContact O-CA 3.2Å; F12-I19 HydrophobicContact CB-CB 4.31Å; F12-I19 PolarHBondContact N-O 3.42Å; F12-I19 PolarHBondContact O-N 3.21Å; F12-V21 HydrophobicContact CD2-CG2 3.88Å; F12-V21 HydrophobicContact CE2-CB 4.25Å; F12-V21 HydrophobicContact CE2-CG2 3.67Å
13A62.9Low62.2Low23 Ų2392.4 Ų92.419%0.1948%0.479CS..EExtended strand (participates in β ladder)trans-90.5130.8167.500000108.7M1 D2 L5M1-A13 HydrophobicContact CB-CB 3.87Å; D2-A13 WeakPolarHBondContact OD1-CB 3.45Å; L5-A13 HydrophobicContact CD1-CB 3.91Å
14Y59.6Low63.1Low123 Ų12388.4 Ų88.448%0.48246%0.46SS..EExtended strand (participates in β ladder)trans-139.3118.2169.2-171.3-91.3000109.9R16 D17 Y45 L46Y14-R16 PolarHBondContact O-N 3.48Å; Y14-D17 PolarHBondContact N-O 3.11Å; Y14-D17 PolarHBondContact O-N 2.91Å; Y14-Y45 WeakPolarHBondContact CB-OH 3.48Å; Y14-Y45 HydrophobicContact CD1-CE1 4.48Å; Y14-Y45 WeakPolarHBondContact CD1-OH 3.38Å; Y14-L46 HydrophobicContact CD1-CD1 3.93Å; Y14-L46 HydrophobicContact CD1-CD2 4.48Å; Y14-L46 HydrophobicContact CE1-CD1 3.41Å; Y14-L46 VanDerWaalsContact CE1-CD1 3.41Å; Y14-L46 HydrophobicContact CE1-CD2 4.09Å; Y14-L46 HydrophobicContact CE1-CG 4.37Å
15L66.6Low63.9Low122 Ų12286 Ų8664%0.63945%0.447SS*.THydrogen-bonded Turntrans53.9-106.3-172.6-63.1172.4000112.5L46L15-L46 HydrophobicContact CD1-CD2 3.98Å
16R64.3Low64.7Low223 Ų22391.1 Ų91.184%0.84247%0.47SS*.THydrogen-bonded Turntrans-105.6-1.2-179.7-66.5-172.1179178.10.9112.9Y14Y14-R16 PolarHBondContact O-N 3.48Å
17D65.6Low65.6Low71 Ų7189.6 Ų89.638%0.3845%0.454SS..EExtended strand (participates in β ladder)trans-109145.1-172.5-52.3-47.9000110.6Y14 Y45Y14-D17 PolarHBondContact N-O 3.11Å; Y14-D17 PolarHBondContact O-N 2.91Å; D17-Y45 HydrophobicContact CB-CE2 3.84Å; D17-Y45 VanDerWaalsContact OD2-CE2 3.26Å; D17-Y45 WeakPolarHBondContact OD2-CE2 3.28Å
18V68.3Low66.2Low68 Ų6887.9 Ų87.941%0.41242%0.424SS..EExtended strand (participates in β ladder)trans-107114.1170.9-177.60000106.9M1 L5 V11 F12 I20M1-V18 HydrophobicContact SD-CG2 4.03Å; L5-V18 HydrophobicContact CD1-CB 4.47Å; L5-V18 HydrophobicContact CD1-CG1 3.99Å; L5-V18 HydrophobicContact CD1-CG2 3.67Å; V11-V18 HydrophobicContact CG1-CG1 3.47Å; V11-V18 VanDerWaalsContact CG1-CG1 3.47Å; F12-V18 CarbonylContact O-C 3.53Å; F12-V18 WeakPolarHBondContact O-CA 3.2Å; V18-I20 HydrophobicContact CG1-CD1 4.44Å; V18-I20 HydrophobicContact CG1-CG1 4.12Å
19I67.1Low66.3Low61 Ų6191.6 Ų91.631%0.31343%0.431SS..EExtended strand (participates in β ladder)trans-95.7116.5177.9-52.6173.3000107.2V11 F12 V21 Y45V11-I19 CarbonylContact C-O 3.56Å; V11-I19 WeakPolarHBondContact CA-O 3.37Å; F12-I19 HydrophobicContact CB-CB 4.31Å; F12-I19 PolarHBondContact N-O 3.42Å; F12-I19 PolarHBondContact O-N 3.21Å; I19-V21 HydrophobicContact CG2-CG2 4.08Å; I19-Y45 HydrophobicContact CD1-CE1 3.96Å
20I69.6Low66.4Low41 Ų4193.3 Ų93.321%0.2145%0.445CS..EExtended strand (participates in β ladder)trans-105.2131.7174.2-56.8-178.7000106.7D10 V11 V18 H28 L32D10-I20 CarbonylContact O-C 3.48Å; D10-I20 WeakPolarHBondContact O-CA 3.49Å; V11-I20 HydrophobicContact CG1-CG1 4.23Å; V11-I20 HydrophobicContact CG2-CD1 4.38Å; V11-I20 HydrophobicContact CG2-CG1 3.95Å; V11-I20 HydrophobicContact CG2-CG2 4.26Å; V18-I20 HydrophobicContact CG1-CD1 4.44Å; V18-I20 HydrophobicContact CG1-CG1 4.12Å; I20-H28 PolarHBondContact O-CE1 3.41Å; I20-H28 PolarHBondContact O-NE2 2.77Å; I20-L32 HydrophobicContact CD1-CD2 3.56Å
21V67.7Low66.3Low70 Ų7096.2 Ų96.242%0.42446%0.461SS..  trans-117.2134.9-176.5-174.20000108.5D10 F12 I19D10-V21 HydrophobicContact CB-CB 4.28Å; D10-V21 WeakPolarHBondContact CB-O 3.31Å; D10-V21 PolarHBondContact O-N 3.12Å; F12-V21 HydrophobicContact CD2-CG2 3.88Å; F12-V21 HydrophobicContact CE2-CB 4.25Å; F12-V21 HydrophobicContact CE2-CG2 3.67Å; I19-V21 HydrophobicContact CG2-CG2 4.08Å
22G66.1Low66.2Low28 Ų2897.2 Ų97.229%0.28947%0.465SS..  trans-138.9154.9175.400000109.8H28G22-H28 PolarHBondContact N-CE1 3.22Å; G22-H28 PolarHBondContact N-ND1 3.19Å
23R66.2Low66.1Low190 Ų19098.5 Ų98.572%0.71748%0.477SS*.SBendtrans-89.2-26173.5-65.4-174.4-176.21747112.1E27R23-E27 PolarHBondContact N-OE2 2.95Å
24T70.6Confident65.8Low73 Ų73102.7 Ų102.745%0.44851%0.512SS..SBendtrans-126.6155.7-178.364.10000110.8E26 E27 H28T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 PolarHBondContact O-N 3.12Å; T24-E27 PolarHBondContact N-OE2 3.4Å; T24-E27 PolarHBondContact O-N 3.35Å; T24-E27 WeakPolarHBondContact OG1-CG 3.34Å; T24-E27 PolarHBondContact OG1-N 3.2Å; T24-H28 PolarHBondContact O-N 3.37Å
25E68.5Low65.9Low116 Ų116106.8 Ų106.854%0.54253%0.533SS..Hα-helixtrans-60.5-36.7174.5163.1162.2-16300112H28 R29 F39E25-H28 PolarHBondContact O-N 3.02Å; E25-R29 PolarHBondContact O-N 3.11Å; E25-F39 HydrophobicContact CB-CE1 3.89Å; E25-F39 HydrophobicContact CB-CZ 4.5Å; E25-F39 HydrophobicContact CG-CD1 4.28Å; E25-F39 HydrophobicContact CG-CE1 3.41Å; E25-F39 VanDerWaalsContact CG-CE1 3.41Å; E25-F39 HydrophobicContact CG-CZ 3.6Å
26E69.7Low65.9Low148 Ų148103.8 Ų103.869%0.69252%0.521SS*.Hα-helixtrans-63.4-40.9177.3-69.2179.5172.700112.8T24 H28 R29 N30T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 PolarHBondContact O-N 3.12Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.34Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-N30 PolarHBondContact O-N 3.31Å; E26-N30 PolarHBondContact O-ND2 3.43Å
27E68.6Low65.9Low67 Ų67100.3 Ų100.331%0.31352%0.518SS..Hα-helixtrans-59.3-43.8174.5-76.5175.3162.200110.9R23 T24R23-E27 PolarHBondContact N-OE2 2.95Å; T24-E27 PolarHBondContact N-OE2 3.4Å; T24-E27 PolarHBondContact O-N 3.35Å; T24-E27 WeakPolarHBondContact OG1-CG 3.34Å; T24-E27 PolarHBondContact OG1-N 3.2Å
28H67.9Low66Low48 Ų4899.6 Ų99.622%0.22251%0.514CS..Hα-helixtrans-67.8-37178.6-110.861.1000113.1I20 G22 T24 E25 E26 L32I20-H28 PolarHBondContact O-CE1 3.41Å; I20-H28 PolarHBondContact O-NE2 2.77Å; G22-H28 PolarHBondContact N-CE1 3.22Å; G22-H28 PolarHBondContact N-ND1 3.19Å; T24-H28 PolarHBondContact O-N 3.37Å; E25-H28 PolarHBondContact O-N 3.02Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.34Å; H28-L32 HydrophobicContact CB-CD1 4.43Å; H28-L32 VanDerWaalsContact CD2-CD1 3.48Å; H28-L32 WeakPolarHBondContact CD2-CD1 3.38Å; H28-L32 VanDerWaalsContact O-CD1 3.31Å; H28-L32 WeakPolarHBondContact O-CD1 3.3Å; H28-L32 WeakPolarHBondContact O-CG 3.33Å
29R65.9Low66.2Low172 Ų172101.4 Ų101.465%0.64952%0.517SS*.Hα-helixtrans-70.4-32.2-175.6-133.2176.5-177.8-165.62.3112.9E25 E26 F39E25-R29 PolarHBondContact O-N 3.11Å; E26-R29 PolarHBondContact O-N 3.31Å; R29-F39 HydrophobicContact CG-CZ 4.48Å
30N65.8Low66.5Low138 Ų138102.7 Ų102.774%0.73852%0.524SS*.Hα-helixtrans-75.2-25.6-179.4-70.7-29.5000113.2E26E26-N30 PolarHBondContact O-N 3.31Å; E26-N30 PolarHBondContact O-ND2 3.43Å
31D62.3Low66.9Low108 Ų108106.2 Ų106.258%0.57855%0.549SS*.Hα-helixtrans-95.8-8-173.1-71.3-21.1000113.9
32L64.4Low67.5Low39 Ų39103.9 Ų103.920%0.20454%0.539CS..  trans-123136-165.8-65.1170.2000114I20 H28 L38I20-L32 HydrophobicContact CD1-CD2 3.56Å; H28-L32 HydrophobicContact CB-CD1 4.43Å; H28-L32 VanDerWaalsContact CD2-CD1 3.48Å; H28-L32 WeakPolarHBondContact CD2-CD1 3.38Å; H28-L32 VanDerWaalsContact O-CD1 3.31Å; H28-L32 WeakPolarHBondContact O-CD1 3.3Å; H28-L32 WeakPolarHBondContact O-CG 3.33Å; L32-L38 HydrophobicContact CB-CD2 4.21Å; L32-L38 HydrophobicContact CD1-CD2 3.3Å; L32-L38 HydrophobicContact CG-CD2 4.31Å
33D60.9Low68.3Low139 Ų139106.9 Ų106.974%0.74355%0.548SS*.  trans-81.5164174.1-99.1-22.6000112.8K35 C36D33-K35 PolarHBondContact O-N 3.4Å; D33-C36 PolarHBondContact O-N 3.35Å
34A57.3Low69Low112 Ų112102 Ų10293%0.92654%0.536SS*.THydrogen-bonded Turntrans-61.4-2-177.100000116.6
35K61.1Low69.2Low208 Ų208100.8 Ų100.890%0.90452%0.524SS*.THydrogen-bonded Turntrans-92.51178-69.2-175.8-178.6176.50113.7D33D33-K35 PolarHBondContact O-N 3.4Å
36C66.5Low69.5Low59 Ų5998.3 Ų98.340%0.39951%0.514SS..SBendtrans-92.7139.8-178.7-63.30000111.7D33 L38D33-C36 PolarHBondContact O-N 3.35Å; C36-L38 HydrophobicContact CB-CD2 3.62Å; C36-L38 HydrophobicContact CB-CG 4.1Å; C36-L38 PolarHBondContact O-N 3.44Å
37L63.7Low69.8Low150 Ų15092 Ų9279%0.78549%0.488SS*.  trans-78.4110.3163.4-65.1173.4000107.7L40L37-L40 HydrophobicContact CB-CD1 3.92Å; L37-L40 HydrophobicContact CB-CG 4.3Å; L37-L40 HydrophobicContact CD1-CD1 4.33Å
38L69Low70.5Confident56 Ų5690.4 Ų90.429%0.29348%0.48SS..  trans-107.3152.5-176.7-55.7-179.4000110.6L32 C36 L40L32-L38 HydrophobicContact CB-CD2 4.21Å; L32-L38 HydrophobicContact CD1-CD2 3.3Å; L32-L38 HydrophobicContact CG-CD2 4.31Å; C36-L38 HydrophobicContact CB-CD2 3.62Å; C36-L38 HydrophobicContact CB-CG 4.1Å; C36-L38 PolarHBondContact O-N 3.44Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 PolarHBondContact O-N 3.24Å
39F70.6Confident71.3Confident107 Ų10789.5 Ų89.547%0.46948%0.478SS..SBendtrans59.132.1171.2-44.5-65.2000114.9E25 R29E25-F39 HydrophobicContact CB-CE1 3.89Å; E25-F39 HydrophobicContact CB-CZ 4.5Å; E25-F39 HydrophobicContact CG-CD1 4.28Å; E25-F39 HydrophobicContact CG-CE1 3.41Å; E25-F39 VanDerWaalsContact CG-CE1 3.41Å; E25-F39 HydrophobicContact CG-CZ 3.6Å; R29-F39 HydrophobicContact CG-CZ 4.48Å
40L74.9Confident72.2Confident88 Ų8883.8 Ų83.846%0.46146%0.462SS..  trans-68.2138172.7-61.2179.2000110.1L37 L38 G42L37-L40 HydrophobicContact CB-CD1 3.92Å; L37-L40 HydrophobicContact CB-CG 4.3Å; L37-L40 HydrophobicContact CD1-CD1 4.33Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 PolarHBondContact O-N 3.24Å; L40-G42 WeakPolarHBondContact CB-O 3.38Å; L40-G42 PolarHBondContact O-N 3.25Å
41P77.5Confident73.1Confident114 Ų11481.3 Ų81.374%0.7445%0.446SS*.SBendtrans-65.8-2417627.1-34.4000112.5
42G80.8Confident74.2Confident21 Ų2186.9 Ų86.922%0.21646%0.459CS..EExtended strand (participates in β ladder)trans-152.7150.9175.600000111.3L40 V50L40-G42 WeakPolarHBondContact CB-O 3.38Å; L40-G42 PolarHBondContact O-N 3.25Å; G42-V50 CarbonylContact C-O 3.51Å; G42-V50 VanDerWaalsContact CA-O 3.24Å; G42-V50 WeakPolarHBondContact CA-O 3Å
43I82.8Confident75.1Confident91 Ų9190.4 Ų90.447%0.46748%0.478SS..EExtended strand (participates in β ladder)trans-126.9135.6177.1-172.5168.8000110.1V49 V50I43-V49 WeakPolarHBondContact O-CA 3.38Å; I43-V50 HydrophobicContact CG2-CB 4Å; I43-V50 PolarHBondContact N-O 3.43Å; I43-V50 PolarHBondContact O-N 3.38Å
44N81Confident76.4Confident87 Ų8783.8 Ų83.847%0.46544%0.443SS..EExtended strand (participates in β ladder)trans-84119.1168.8-170-26.9000108.9F48 D58N44-F48 CarbonylContact C-O 3.57Å; N44-F48 WeakPolarHBondContact CA-O 3.38Å; N44-D58 PolarHBondContact ND2-OD2 3.31Å
45Y75Confident77.8Confident48 Ų4881.7 Ų81.719%0.18841%0.411CS..EExtended strand (participates in β ladder)trans-140.5120.5-178.1-169.9-108.8000110.4Y14 D17 I19 G47 F48Y14-Y45 WeakPolarHBondContact CB-OH 3.48Å; Y14-Y45 HydrophobicContact CD1-CE1 4.48Å; Y14-Y45 WeakPolarHBondContact CD1-OH 3.38Å; D17-Y45 HydrophobicContact CB-CE2 3.84Å; D17-Y45 VanDerWaalsContact OD2-CE2 3.26Å; D17-Y45 WeakPolarHBondContact OD2-CE2 3.28Å; I19-Y45 HydrophobicContact CD1-CE1 3.96Å; Y45-G47 PolarHBondContact O-N 2.98Å; Y45-F48 PolarHBondContact N-O 3.06Å; Y45-F48 PolarHBondContact O-N 2.99Å
46L73.9Confident79.1Confident65 Ų6572.6 Ų72.634%0.3437%0.374SS..THydrogen-bonded Turntrans52.939.5-178.2-54.3170.8000112.8Y14 L15 F48 Y86Y14-L46 HydrophobicContact CD1-CD1 3.93Å; Y14-L46 HydrophobicContact CD1-CD2 4.48Å; Y14-L46 HydrophobicContact CE1-CD1 3.41Å; Y14-L46 VanDerWaalsContact CE1-CD1 3.41Å; Y14-L46 HydrophobicContact CE1-CD2 4.09Å; Y14-L46 HydrophobicContact CE1-CG 4.37Å; L15-L46 HydrophobicContact CD1-CD2 3.98Å; L46-F48 HydrophobicContact CB-CD2 4.35Å; L46-F48 WeakPolarHBondContact O-CD2 3.36Å; L46-F48 WeakPolarHBondContact O-CE2 3.46Å; L46-F48 PolarHBondContact O-N 3.16Å; L46-Y86 PolarHBondContact O-OH 2.94Å
47G76.4Confident79.9Confident15 Ų1569.8 Ų69.816%0.15536%0.355CS..THydrogen-bonded Turntrans73.113.7-179.400000114.6Y45 D58Y45-G47 PolarHBondContact O-N 2.98Å; G47-D58 WeakPolarHBondContact O-CB 3.48Å; G47-D58 PolarHBondContact O-N 3.18Å
48F82.5Confident80.8Confident33 Ų3363.7 Ų63.715%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-117.4142.2170.7-54.1-63.8000110N44 Y45 L46 S56 Y86 Y87 F90N44-F48 CarbonylContact C-O 3.57Å; N44-F48 WeakPolarHBondContact CA-O 3.38Å; Y45-F48 PolarHBondContact N-O 3.06Å; Y45-F48 PolarHBondContact O-N 2.99Å; L46-F48 HydrophobicContact CB-CD2 4.35Å; L46-F48 WeakPolarHBondContact O-CD2 3.36Å; L46-F48 WeakPolarHBondContact O-CE2 3.46Å; L46-F48 PolarHBondContact O-N 3.16Å; F48-S56 CarbonylContact C-O 3.57Å; F48-S56 VanDerWaalsContact CA-O 3.24Å; F48-S56 WeakPolarHBondContact CA-O 3.49Å; F48-S56 WeakPolarHBondContact CB-O 3.33Å; F48-Y86 AromaticContact CE1-CE1 3.99Å; F48-Y86 HydrophobicContact CE1-CE1 3.99Å; F48-Y86 HydrophobicContact CE2-CE1 4.2Å; F48-Y86 HydrophobicContact CZ-CD1 4.28Å; F48-Y86 AromaticContact CZ-CE1 3.56Å; F48-Y86 HydrophobicContact CZ-CE1 3.56Å; F48-Y86 AromaticContact CZ-CZ 3.73Å; F48-Y87 HydrophobicContact CD1-CD1 4.48Å; F48-Y87 HydrophobicContact CD1-CE1 4.18Å; F48-Y87 AromaticContact CE1-CD1 3.83Å; F48-Y87 HydrophobicContact CE1-CD1 3.83Å; F48-Y87 AromaticContact CE1-CE1 3.73Å; F48-Y87 HydrophobicContact CE1-CE1 3.73Å; F48-F90 AromaticContact CD1-CE2 3.69Å; F48-F90 HydrophobicContact CD1-CE2 3.69Å; F48-F90 AromaticContact CD1-CZ 3.56Å; F48-F90 HydrophobicContact CD1-CZ 3.56Å; F48-F90 HydrophobicContact CE1-CD2 4.49Å; F48-F90 AromaticContact CE1-CE2 3.37Å; F48-F90 HydrophobicContact CE1-CE2 3.37Å; F48-F90 AromaticContact CE1-CZ 3.76Å; F48-F90 HydrophobicContact CE1-CZ 3.76Å; F48-F90 HydrophobicContact CG-CZ 4.49Å; F48-F90 HydrophobicContact CZ-CE2 4.31Å
49V85.4Confident81.2Confident29 Ų2964.7 Ų64.718%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-90.8120.7167.9-172.90000107.5I43 E51 R55 S56I43-V49 WeakPolarHBondContact O-CA 3.38Å; V49-E51 HydrophobicContact CG1-CG 3.8Å; V49-R55 CarbonylContact O-C 3.58Å; V49-R55 WeakPolarHBondContact O-CA 3.44Å; V49-S56 PolarHBondContact N-O 3.31Å; V49-S56 PolarHBondContact O-N 3.25Å
50V84.2Confident81.6Confident52 Ų5265.5 Ų65.532%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-108.3118.6178-177.40000108.1G42 I43 R55G42-V50 CarbonylContact C-O 3.51Å; G42-V50 VanDerWaalsContact CA-O 3.24Å; G42-V50 WeakPolarHBondContact CA-O 3Å; I43-V50 HydrophobicContact CG2-CB 4Å; I43-V50 PolarHBondContact N-O 3.43Å; I43-V50 PolarHBondContact O-N 3.38Å; V50-R55 HydrophobicContact CG2-CB 4.35Å
51E85.6Confident81.7Confident86 Ų8665.1 Ų65.140%0.40233%0.333SS..EExtended strand (participates in β ladder)trans-126.6179.5-176.1-54.5-169.8123.900110.9V49 N53 G54 H136V49-E51 HydrophobicContact CG1-CG 3.8Å; E51-N53 VanDerWaalsContact C-N 3.29Å; E51-N53 PolarHBondContact O-N 2.79Å; E51-G54 PolarHBondContact N-O 3.49Å; E51-G54 PolarHBondContact O-N 2.74Å; E51-G54 VanDerWaalsContact O-O 3.07Å; E51-H136 PolarHBondContact O-NE2 3.21Å
52R84.9Confident81.6Confident226 Ų22660.4 Ų60.485%0.85330%0.302SS*.THydrogen-bonded Turntrans-55.1-42.3176.1-177.4-177.5179.8-164.10.3113.5
53N84.1Confident81.5Confident112 Ų11261 Ų6160%0.59930%0.302SS*.THydrogen-bonded Turntrans-88.6-12.3-170.1-66.8-26.2000113.5E51E51-N53 VanDerWaalsContact C-N 3.29Å; E51-N53 PolarHBondContact O-N 2.79Å
54G87Confident81.2Confident0 Ų058.8 Ų58.80%030%0.298CS..EExtended strand (participates in β ladder)trans162.7-159.3-173.900000113.3E51 L134 H136E51-G54 PolarHBondContact N-O 3.49Å; E51-G54 PolarHBondContact O-N 2.74Å; E51-G54 VanDerWaalsContact O-O 3.07Å; G54-L134 CarbonylContact C-O 3.24Å; G54-L134 WeakPolarHBondContact CA-O 2.88Å; G54-H136 VanDerWaalsContact C-CE1 3.4Å; G54-H136 WeakPolarHBondContact CA-NE2 3.48Å; G54-H136 PolarHBondContact N-CD2 3.23Å; G54-H136 PolarHBondContact N-NE2 3.23Å; G54-H136 PolarHBondContact O-CE1 2.82Å; G54-H136 VanDerWaalsContact O-CE1 3.27Å; G54-H136 PolarHBondContact O-NE2 3.11Å
55R87.8Confident80.8Confident68 Ų6855 Ų5526%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-131.6147.1172.467.5-174.8-172.8116.65.4110V49 V50 F90 L134V49-R55 CarbonylContact O-C 3.58Å; V49-R55 WeakPolarHBondContact O-CA 3.44Å; V50-R55 HydrophobicContact CG2-CB 4.35Å; R55-F90 HydrophobicContact CG-CE1 4.25Å; R55-F90 HydrophobicContact CG-CZ 4.44Å; R55-L134 HydrophobicContact CG-CB 4.24Å; R55-L134 PolarHBondContact N-O 3.46Å; R55-L134 PolarHBondContact O-N 2.91Å
56S87.1Confident80.9Confident17 Ų1755.7 Ų55.712%0.11928%0.281CS..EExtended strand (participates in β ladder)trans-136.6163.9175.454.20000110F48 V49 L132F48-S56 CarbonylContact C-O 3.57Å; F48-S56 VanDerWaalsContact CA-O 3.24Å; F48-S56 WeakPolarHBondContact CA-O 3.49Å; F48-S56 WeakPolarHBondContact CB-O 3.33Å; V49-S56 PolarHBondContact N-O 3.31Å; V49-S56 PolarHBondContact O-N 3.25Å; S56-L132 WeakPolarHBondContact CA-O 3.49Å
57P83.2Confident81Confident1 Ų162.3 Ų62.31%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-58.5150.5165.1-25.939.6000111.5L59 I62 Y87 F90 L132P57-L59 PolarHBondContact O-N 3.46Å; P57-I62 HydrophobicContact CB-CD1 3.55Å; P57-I62 HydrophobicContact CB-CG1 3.46Å; P57-I62 VanDerWaalsContact CB-CG1 3.46Å; P57-I62 HydrophobicContact CG-CD1 4.04Å; P57-I62 HydrophobicContact CG-CG1 4.26Å; P57-Y87 HydrophobicContact CB-CD1 3.55Å; P57-Y87 HydrophobicContact CB-CE1 3.56Å; P57-Y87 HydrophobicContact CB-CG 4.33Å; P57-Y87 HydrophobicContact CG-CD1 3.68Å; P57-Y87 HydrophobicContact CG-CE1 4.2Å; P57-Y87 HydrophobicContact CG-CG 4.35Å; P57-F90 HydrophobicContact CG-CB 4.31Å; P57-F90 HydrophobicContact CG-CD1 3.94Å; P57-F90 HydrophobicContact CG-CD2 3.89Å; P57-F90 HydrophobicContact CG-CE1 4.19Å; P57-F90 HydrophobicContact CG-CE2 4.18Å; P57-F90 HydrophobicContact CG-CG 3.77Å; P57-F90 HydrophobicContact CG-CZ 4.29Å; P57-L132 WeakPolarHBondContact CD-O 3.15Å; P57-L132 HydrophobicContact CG-CB 4.18Å; P57-L132 HydrophobicContact CG-CD1 4.28Å
58D83.3Confident80.8Confident21 Ų2163.9 Ų63.911%0.11231%0.308CS..  trans-60.3119.5166.2-176.6-3.1000110.6N44 G47 D60 Q61 I62N44-D58 PolarHBondContact ND2-OD2 3.31Å; G47-D58 WeakPolarHBondContact O-CB 3.48Å; G47-D58 PolarHBondContact O-N 3.18Å; D58-D60 PolarHBondContact O-N 3.24Å; D58-D60 PolarHBondContact OD1-N 3.14Å; D58-D60 VanDerWaalsContact OD1-N 3.11Å; D58-Q61 HydrophobicContact CB-CB 4.2Å; D58-Q61 HydrophobicContact CB-CG 3.81Å; D58-Q61 WeakPolarHBondContact O-CA 3.47Å; D58-Q61 WeakPolarHBondContact O-CB 3.3Å; D58-Q61 PolarHBondContact O-N 3.23Å; D58-I62 PolarHBondContact O-N 3.22Å
59L77.2Confident80.1Confident77 Ų7767.1 Ų67.140%0.40333%0.333SS..Hα-helixtrans-61.6-28-176.8-67-179000112.3P57 Q61 I62 S63 E129P57-L59 PolarHBondContact O-N 3.46Å; L59-Q61 VanDerWaalsContact C-N 3.35Å; L59-I62 PolarHBondContact O-N 3.39Å; L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 2.98Å; L59-E129 HydrophobicContact CD2-CB 4.26Å; L59-E129 HydrophobicContact CD2-CG 3.85Å; L59-E129 WeakPolarHBondContact CD2-OE2 3.37Å
60D78.8Confident79.3Confident124 Ų12467.1 Ų67.166%0.66334%0.338SS*.Hα-helixtrans-69.1-37.5174.8-74.9-26000111.1D58 S63 A64D58-D60 PolarHBondContact O-N 3.24Å; D58-D60 PolarHBondContact OD1-N 3.14Å; D58-D60 VanDerWaalsContact OD1-N 3.11Å; D60-S63 PolarHBondContact O-N 2.64Å; D60-A64 WeakPolarHBondContact O-CB 3.44Å; D60-A64 PolarHBondContact O-N 3.28Å
61Q76.5Confident78.6Confident81 Ų8165 Ų6538%0.37933%0.326SS..Hα-helixtrans-69.6-41.6175-61.3-70.5-11.100111.2D58 L59 S63 A64 I65 Y87D58-Q61 HydrophobicContact CB-CB 4.2Å; D58-Q61 HydrophobicContact CB-CG 3.81Å; D58-Q61 WeakPolarHBondContact O-CA 3.47Å; D58-Q61 WeakPolarHBondContact O-CB 3.3Å; D58-Q61 PolarHBondContact O-N 3.23Å; L59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-S63 VanDerWaalsContact C-N 3.35Å; Q61-A64 WeakPolarHBondContact O-CB 3.49Å; Q61-A64 PolarHBondContact O-N 3.33Å; Q61-I65 WeakPolarHBondContact O-CG1 3.38Å; Q61-I65 PolarHBondContact O-N 2.92Å; Q61-Y87 HydrophobicContact CB-CE2 4.3Å; Q61-Y87 WeakPolarHBondContact CB-OH 3.06Å; Q61-Y87 WeakPolarHBondContact CG-OH 3.4Å
62I77Confident77.7Confident14 Ų1466.1 Ų66.17%0.07234%0.343CS..Hα-helixtrans-63.7-42.3173.7-63.9-55.5000110.9P57 D58 L59 A64 I65 K66 Y87 L132P57-I62 HydrophobicContact CB-CD1 3.55Å; P57-I62 HydrophobicContact CB-CG1 3.46Å; P57-I62 VanDerWaalsContact CB-CG1 3.46Å; P57-I62 HydrophobicContact CG-CD1 4.04Å; P57-I62 HydrophobicContact CG-CG1 4.26Å; D58-I62 PolarHBondContact O-N 3.22Å; L59-I62 PolarHBondContact O-N 3.39Å; I62-A64 VanDerWaalsContact C-N 3.27Å; I62-A64 PolarHBondContact O-N 3.01Å; I62-I65 HydrophobicContact CD1-CD1 3.99Å; I62-I65 WeakPolarHBondContact O-CB 3.29Å; I62-I65 PolarHBondContact O-N 2.59Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I62-K66 HydrophobicContact CG2-CD 4.13Å; I62-K66 HydrophobicContact CG2-CG 4.39Å; I62-K66 WeakPolarHBondContact O-CG 3.49Å; I62-K66 PolarHBondContact O-N 3.33Å; I62-Y87 HydrophobicContact CD1-CD2 4.1Å; I62-Y87 HydrophobicContact CD1-CE2 4.33Å; I62-Y87 HydrophobicContact CD1-CG 4.22Å; I62-L132 HydrophobicContact CD1-CD1 4.28Å; I62-L132 HydrophobicContact CG1-CD1 4.2Å; I62-L132 HydrophobicContact CG2-CD1 4.38Å
63S77.2Confident77.1Confident33 Ų3359.2 Ų59.223%0.23132%0.323CS..Hα-helixtrans-61.1-38.6175.2-66.40000111.5L59 D60 Q61 K66 R67L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 2.98Å; D60-S63 PolarHBondContact O-N 2.64Å; Q61-S63 VanDerWaalsContact C-N 3.35Å; S63-K66 PolarHBondContact O-N 2.91Å; S63-R67 VanDerWaalsContact O-CG 3.28Å; S63-R67 WeakPolarHBondContact O-CG 3.35Å; S63-R67 PolarHBondContact O-N 3.39Å
64A76.3Confident76.6Confident45 Ų4556.9 Ų56.937%0.37231%0.308SS..Hα-helixtrans-62.2-45.1173.100000111.4D60 Q61 I62 K66 R67 V68D60-A64 WeakPolarHBondContact O-CB 3.44Å; D60-A64 PolarHBondContact O-N 3.28Å; Q61-A64 WeakPolarHBondContact O-CB 3.49Å; Q61-A64 PolarHBondContact O-N 3.33Å; I62-A64 VanDerWaalsContact C-N 3.27Å; I62-A64 PolarHBondContact O-N 3.01Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.35Å; A64-R67 PolarHBondContact O-N 3.01Å; A64-V68 WeakPolarHBondContact O-CG2 3.28Å; A64-V68 PolarHBondContact O-N 3.26Å; A64-V68 VanDerWaalsContact O-N 3.11Å
65I74.2Confident76.2Confident9 Ų960.5 Ų60.55%0.04633%0.332CS..Hα-helixtrans-57.7-46.1173.6-64.8167.4000110.8Q61 I62 R67 V68 F80 L83 Y87Q61-I65 WeakPolarHBondContact O-CG1 3.38Å; Q61-I65 PolarHBondContact O-N 2.92Å; I62-I65 HydrophobicContact CD1-CD1 3.99Å; I62-I65 WeakPolarHBondContact O-CB 3.29Å; I62-I65 PolarHBondContact O-N 2.59Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I65-R67 VanDerWaalsContact C-N 3.25Å; I65-R67 PolarHBondContact O-N 2.93Å; I65-V68 PolarHBondContact O-N 3.07Å; I65-F80 HydrophobicContact CG2-CE2 3.86Å; I65-F80 HydrophobicContact CG2-CZ 4.33Å; I65-L83 HydrophobicContact CD1-CD2 3.96Å; I65-L83 HydrophobicContact CD1-CG 3.76Å; I65-L83 HydrophobicContact CG1-CD2 3.36Å; I65-L83 HydrophobicContact CG1-CG 3.75Å; I65-Y87 HydrophobicContact CD1-CD2 3.67Å; I65-Y87 HydrophobicContact CD1-CE2 3.81Å
66K76.9Confident75.6Confident61 Ų6160.5 Ų60.527%0.26534%0.341SS..Hα-helixtrans-61-33.8179.1-72.2176.5177.61780112.4I62 S63 A64 K125 E129I62-K66 HydrophobicContact CG2-CD 4.13Å; I62-K66 HydrophobicContact CG2-CG 4.39Å; I62-K66 WeakPolarHBondContact O-CG 3.49Å; I62-K66 PolarHBondContact O-N 3.33Å; S63-K66 PolarHBondContact O-N 2.91Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.35Å; K66-K125 HydrophobicContact CB-CG 4.49Å; K66-K125 WeakPolarHBondContact CE-O 3.3Å; K66-K125 HydrophobicContact CG-CB 4.33Å; K66-K125 HydrophobicContact CG-CG 4.29Å; K66-K125 WeakPolarHBondContact O-CD 3.4Å; K66-K125 WeakPolarHBondContact O-CE 3.4Å; K66-K125 PolarHBondContact O-NZ 3.13Å; K66-E129 IonicContact NZ-OE1 3.56Å; K66-E129 PolarHBondContact NZ-OE1 2.87Å
67R76.6Confident75.2Confident204 Ų20459.7 Ų59.777%0.7734%0.335SS*.Hα-helixtrans-82.6-18.8179-70.5173.7-170.8175.95.6114.5S63 A64 I65 P69S63-R67 VanDerWaalsContact O-CG 3.28Å; S63-R67 WeakPolarHBondContact O-CG 3.35Å; S63-R67 PolarHBondContact O-N 3.39Å; A64-R67 PolarHBondContact O-N 3.01Å; I65-R67 VanDerWaalsContact C-N 3.25Å; I65-R67 PolarHBondContact O-N 2.93Å; R67-P69 VanDerWaalsContact O-CD 3.32Å; R67-P69 WeakPolarHBondContact O-CD 2.97Å; R67-P69 VanDerWaalsContact O-N 3.15Å
68V71.8Confident75Confident48 Ų4866.7 Ų66.729%0.29136%0.361SS..PPolyproline II helixtrans-59.6119.9-178.4176.10000109.6A64 I65 F80 K125A64-V68 WeakPolarHBondContact O-CG2 3.28Å; A64-V68 PolarHBondContact O-N 3.26Å; A64-V68 VanDerWaalsContact O-N 3.11Å; I65-V68 PolarHBondContact O-N 3.07Å; V68-F80 HydrophobicContact CB-CD2 4.2Å; V68-F80 HydrophobicContact CB-CE2 4.34Å; V68-F80 HydrophobicContact CG1-CD2 3.94Å; V68-F80 HydrophobicContact CG1-CE2 4.43Å; V68-F80 HydrophobicContact CG2-CD2 4.46Å; V68-K125 PolarHBondContact O-NZ 3.05Å
69P68.2Low74.6Confident102 Ų10269.8 Ų69.866%0.66239%0.385SS*.PPolyproline II helixtrans-69.5159.7171.630.1-33.9000109.8R67 P71R67-P69 VanDerWaalsContact O-CD 3.32Å; R67-P69 WeakPolarHBondContact O-CD 2.97Å; R67-P69 VanDerWaalsContact O-N 3.15Å; P69-P71 WeakPolarHBondContact O-CD 3.28Å; P69-P71 VanDerWaalsContact O-N 3.11Å
70G67.1Low74.6Confident28 Ų2866.5 Ų66.529%0.28937%0.367SS..PPolyproline II helixtrans-49.112117400000110.6S72G70-S72 PolarHBondContact O-N 3.42Å
71P69.1Low74.7Confident9 Ų961.2 Ų61.26%0.05834%0.339CS..PPolyproline II helixtrans-62.7129.6-171.217.1-27.9000111.4P69 D73 P76 F77 W111 W113P69-P71 WeakPolarHBondContact O-CD 3.28Å; P69-P71 VanDerWaalsContact O-N 3.11Å; P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.5Å; P71-P76 HydrophobicContact CB-CB 4.09Å; P71-F77 HydrophobicContact CB-CB 3.9Å; P71-F77 HydrophobicContact CG-CB 3.71Å; P71-F77 HydrophobicContact CG-CD2 3.57Å; P71-F77 HydrophobicContact CG-CG 4.14Å; P71-W111 HydrophobicContact CG-CZ2 4.31Å; P71-W111 PolarHBondContact O-NE1 3.47Å; P71-W113 VanDerWaalsContact CD-CH2 3.5Å; P71-W113 VanDerWaalsContact CD-CZ3 3.43Å; P71-W113 HydrophobicContact CG-CE3 4.02Å; P71-W113 HydrophobicContact CG-CH2 3.94Å; P71-W113 HydrophobicContact CG-CZ3 3.46Å; P71-W113 VanDerWaalsContact CG-CZ3 3.46Å
72S68.6Low74.7Confident108 Ų10859.3 Ų59.376%0.75534%0.341SS*.SBendtrans-73.6-17.8-178.352.30000113.4G70 W111G70-S72 PolarHBondContact O-N 3.42Å; S72-W111 VanDerWaalsContact C-CD1 3.46Å; S72-W111 VanDerWaalsContact C-NE1 3.35Å; S72-W111 PolarHBondContact O-NE1 3.37Å
73D71.3Confident74.7Confident82 Ų8261 Ų6144%0.43935%0.35SS..SBendtrans-150.5169.5-178.9-16416000112.5P71 P75 P76 F77P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.5Å; D73-P75 WeakPolarHBondContact OD2-CD 3.38Å; D73-P76 WeakPolarHBondContact O-CD 3.48Å; D73-F77 WeakPolarHBondContact O-CB 3.41Å; D73-F77 PolarHBondContact O-N 3.05Å
74Q73.2Confident74.7Confident62 Ų6259.8 Ų59.829%0.2934%0.341SS..Hα-helixtrans-65-39-175.5-166.1179.316.400114.8F77 R78 L105 W111Q74-F77 WeakPolarHBondContact O-CB 3.33Å; Q74-F77 PolarHBondContact O-N 3.49Å; Q74-R78 VanDerWaalsContact NE2-NH2 3.11Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.17Å; Q74-L105 HydrophobicContact CG-CD2 4.33Å; Q74-W111 HydrophobicContact CB-CE3 3.87Å; Q74-W111 HydrophobicContact CB-CZ3 4.19Å; Q74-W111 HydrophobicContact CG-CE3 4.28Å; Q74-W111 HydrophobicContact CG-CZ3 4.21Å
75P78.2Confident74.7Confident77 Ų7761.9 Ų61.950%0.535%0.346SS..Hα-helixtrans-65.1-49.6179.6-17.128.9000113.5D73 F77 R78 S79D73-P75 WeakPolarHBondContact OD2-CD 3.38Å; P75-F77 PolarHBondContact O-N 3.4Å; P75-R78 PolarHBondContact O-N 3.39Å; P75-R78 VanDerWaalsContact O-N 3.15Å; P75-S79 PolarHBondContact O-N 3.25Å; P75-S79 VanDerWaalsContact O-N 3.14Å; P75-S79 PolarHBondContact O-OG 3.12Å
76P75.6Confident74.7Confident67 Ų6766.7 Ų66.744%0.43536%0.364SS..Hα-helixtrans-56.7-36.4172.4-25.634.9000112.9P71 D73 S79 F80P71-P76 HydrophobicContact CB-CB 4.09Å; D73-P76 WeakPolarHBondContact O-CD 3.48Å; P76-S79 PolarHBondContact O-N 2.88Å; P76-F80 PolarHBondContact O-N 3.21Å
77F78.9Confident74.5Confident0 Ų064.3 Ų64.30%035%0.354CS..Hα-helixtrans-65.3-41.6176.3176.9-110.1000113.7P71 D73 Q74 P75 S79 F80 L81 L101 R104 L105 W111 W113P71-F77 HydrophobicContact CB-CB 3.9Å; P71-F77 HydrophobicContact CG-CB 3.71Å; P71-F77 HydrophobicContact CG-CD2 3.57Å; P71-F77 HydrophobicContact CG-CG 4.14Å; D73-F77 WeakPolarHBondContact O-CB 3.41Å; D73-F77 PolarHBondContact O-N 3.05Å; Q74-F77 WeakPolarHBondContact O-CB 3.33Å; Q74-F77 PolarHBondContact O-N 3.49Å; P75-F77 PolarHBondContact O-N 3.4Å; F77-S79 VanDerWaalsContact C-N 3.32Å; F77-S79 PolarHBondContact O-N 3.2Å; F77-F80 PolarHBondContact O-N 2.84Å; F77-L81 WeakPolarHBondContact O-CB 3.44Å; F77-L81 PolarHBondContact O-N 2.94Å; F77-L101 WeakPolarHBondContact CE1-O 3.25Å; F77-L101 HydrophobicContact CE2-CB 4.18Å; F77-L101 HydrophobicContact CE2-CD2 3.96Å; F77-L101 HydrophobicContact CZ-CB 3.7Å; F77-L101 HydrophobicContact CZ-CD2 4.23Å; F77-L101 HydrophobicContact CZ-CG 4.49Å; F77-L101 VanDerWaalsContact CZ-O 3.28Å; F77-L101 WeakPolarHBondContact CZ-O 3.4Å; F77-R104 HydrophobicContact CE1-CB 4.45Å; F77-R104 HydrophobicContact CZ-CB 4.39Å; F77-L105 HydrophobicContact CD1-CD2 3.67Å; F77-L105 HydrophobicContact CD1-CG 4.35Å; F77-L105 HydrophobicContact CE1-CD2 3.65Å; F77-L105 HydrophobicContact CE1-CG 3.82Å; F77-W111 HydrophobicContact CB-CH2 3.45Å; F77-W111 VanDerWaalsContact CB-CH2 3.45Å; F77-W111 HydrophobicContact CB-CZ2 3.72Å; F77-W111 HydrophobicContact CB-CZ3 4.22Å; F77-W111 AromaticContact CD1-CH2 3.31Å; F77-W111 HydrophobicContact CD1-CH2 3.31Å; F77-W111 HydrophobicContact CD1-CZ2 4.36Å; F77-W111 AromaticContact CD1-CZ3 3.73Å; F77-W111 HydrophobicContact CD1-CZ3 3.73Å; F77-W111 AromaticContact CD2-CH2 3.63Å; F77-W111 HydrophobicContact CD2-CH2 3.63Å; F77-W111 HydrophobicContact CD2-CZ2 4.05Å; F77-W111 AromaticContact CE1-CH2 3.78Å; F77-W111 HydrophobicContact CE1-CH2 3.78Å; F77-W111 HydrophobicContact CE1-CZ3 4.17Å; F77-W111 HydrophobicContact CE2-CH2 4.07Å; F77-W111 AromaticContact CG-CH2 3.18Å; F77-W111 HydrophobicContact CG-CH2 3.18Å; F77-W111 AromaticContact CG-CZ2 3.82Å; F77-W111 HydrophobicContact CG-CZ2 3.82Å; F77-W111 HydrophobicContact CG-CZ3 4.03Å; F77-W111 HydrophobicContact CZ-CH2 4.12Å; F77-W113 HydrophobicContact CD2-CH2 4.36Å; F77-W113 AromaticContact CD2-CZ3 3.78Å; F77-W113 HydrophobicContact CD2-CZ3 3.78Å; F77-W113 HydrophobicContact CE2-CH2 4.19Å; F77-W113 AromaticContact CE2-CZ3 3.8Å; F77-W113 HydrophobicContact CE2-CZ3 3.8Å
78R78.5Confident74.5Confident148 Ų14855 Ų5556%0.55832%0.322SS*.Hα-helixtrans-62.9-41175.2-75.5178.2-177.81805.1111.3Q74 P75 L81 G82 L105Q74-R78 VanDerWaalsContact NE2-NH2 3.11Å; Q74-R78 WeakPolarHBondContact O-CG 3.41Å; Q74-R78 PolarHBondContact O-N 3.17Å; P75-R78 PolarHBondContact O-N 3.39Å; P75-R78 VanDerWaalsContact O-N 3.15Å; R78-L81 PolarHBondContact O-N 3.38Å; R78-G82 PolarHBondContact O-N 2.95Å; R78-L105 HydrophobicContact CG-CD2 3.79Å
79S75.7Confident74.9Confident86 Ų8654 Ų5460%0.60132%0.319SS*.Hα-helixtrans-61.8-45.6175-59.20000111.5P75 P76 F77 L81 G82 L83P75-S79 PolarHBondContact O-N 3.25Å; P75-S79 VanDerWaalsContact O-N 3.14Å; P75-S79 PolarHBondContact O-OG 3.12Å; P76-S79 PolarHBondContact O-N 2.88Å; F77-S79 VanDerWaalsContact C-N 3.32Å; F77-S79 PolarHBondContact O-N 3.2Å; S79-L81 PolarHBondContact O-N 3.41Å; S79-G82 PolarHBondContact O-N 2.97Å; S79-L83 PolarHBondContact O-N 2.79Å
80F77.6Confident75.4Confident9 Ų949.4 Ų49.44%0.03929%0.288CS..Hα-helixtrans-59.5-47175.1177.6-94.1000111.9I65 V68 P76 F77 G82 L83 V84 I121I65-F80 HydrophobicContact CG2-CE2 3.86Å; I65-F80 HydrophobicContact CG2-CZ 4.33Å; V68-F80 HydrophobicContact CB-CD2 4.2Å; V68-F80 HydrophobicContact CB-CE2 4.34Å; V68-F80 HydrophobicContact CG1-CD2 3.94Å; V68-F80 HydrophobicContact CG1-CE2 4.43Å; V68-F80 HydrophobicContact CG2-CD2 4.46Å; P76-F80 PolarHBondContact O-N 3.21Å; F77-F80 PolarHBondContact O-N 2.84Å; F80-G82 VanDerWaalsContact C-N 3.28Å; F80-G82 PolarHBondContact O-N 3.36Å; F80-L83 WeakPolarHBondContact O-CB 3.45Å; F80-L83 PolarHBondContact O-N 3.39Å; F80-L83 VanDerWaalsContact O-N 3.1Å; F80-V84 HydrophobicContact CD1-CG2 4.06Å; F80-V84 HydrophobicContact CE1-CG2 3.55Å; F80-V84 HydrophobicContact CE2-CG2 4.25Å; F80-V84 HydrophobicContact CZ-CG2 3.65Å; F80-V84 WeakPolarHBondContact O-CG2 3.15Å; F80-V84 PolarHBondContact O-N 2.92Å; F80-I121 HydrophobicContact CD1-CD1 3.98Å; F80-I121 HydrophobicContact CE1-CD1 3.39Å; F80-I121 HydrophobicContact CE1-CG1 3.62Å; F80-I121 HydrophobicContact CE2-CD1 4.24Å; F80-I121 HydrophobicContact CZ-CB 4.48Å; F80-I121 HydrophobicContact CZ-CD1 3.55Å; F80-I121 HydrophobicContact CZ-CG1 3.77Å; F80-I121 HydrophobicContact CZ-CG2 4.17Å
81L79.9Confident76Confident12 Ų1248.8 Ų48.86%0.06328%0.279CS..Hα-helixtrans-62.9-36.9178.3-171.966.9000112F77 R78 S79 L83 N85 R98 L101 L105F77-L81 WeakPolarHBondContact O-CB 3.44Å; F77-L81 PolarHBondContact O-N 2.94Å; R78-L81 PolarHBondContact O-N 3.38Å; S79-L81 PolarHBondContact O-N 3.41Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-N85 WeakPolarHBondContact O-CB 3.48Å; L81-N85 PolarHBondContact O-N 2.97Å; L81-R98 HydrophobicContact CD1-CG 4.11Å; L81-L101 HydrophobicContact CD1-CB 4.17Å; L81-L101 HydrophobicContact CD1-CD1 4.16Å; L81-L105 HydrophobicContact CD2-CD1 3.58Å
82G77.8Confident76.4Confident41 Ų4152.3 Ų52.342%0.42330%0.297SS..Hα-helixtrans-61.8-41.6172.800000112.3R78 S79 F80 N85 Y86R78-G82 PolarHBondContact O-N 2.95Å; S79-G82 PolarHBondContact O-N 2.97Å; F80-G82 VanDerWaalsContact C-N 3.28Å; F80-G82 PolarHBondContact O-N 3.36Å; G82-N85 WeakPolarHBondContact O-CB 3.44Å; G82-N85 PolarHBondContact O-N 2.89Å; G82-Y86 PolarHBondContact O-N 2.78Å
83L75.8Confident76.6Confident50 Ų5047.9 Ų47.926%0.26227%0.268SS..Hα-helixtrans-68.2-43.1177.9-172.160.6000112.2I65 S79 F80 L81 N85 Y86 Y87I65-L83 HydrophobicContact CD1-CD2 3.96Å; I65-L83 HydrophobicContact CD1-CG 3.76Å; I65-L83 HydrophobicContact CG1-CD2 3.36Å; I65-L83 HydrophobicContact CG1-CG 3.75Å; S79-L83 PolarHBondContact O-N 2.79Å; F80-L83 WeakPolarHBondContact O-CB 3.45Å; F80-L83 PolarHBondContact O-N 3.39Å; F80-L83 VanDerWaalsContact O-N 3.1Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.3Å; L83-Y86 VanDerWaalsContact O-CB 3.29Å; L83-Y86 WeakPolarHBondContact O-CB 3.41Å; L83-Y86 PolarHBondContact O-N 2.78Å; L83-Y86 VanDerWaalsContact O-N 3.15Å; L83-Y87 HydrophobicContact CD1-CD2 4.43Å; L83-Y87 HydrophobicContact CD1-CE2 3.79Å; L83-Y87 HydrophobicContact CG-CE2 4.36Å; L83-Y87 WeakPolarHBondContact O-CD2 3.38Å; L83-Y87 PolarHBondContact O-N 2.91Å
84V76.9Confident77Confident8 Ų844.1 Ų44.15%0.04825%0.248CC..Hα-helixtrans-60.3-40.8172.6171.40000110.8F80 Y86 Y87 G88 L94F80-V84 HydrophobicContact CD1-CG2 4.06Å; F80-V84 HydrophobicContact CE1-CG2 3.55Å; F80-V84 HydrophobicContact CE2-CG2 4.25Å; F80-V84 HydrophobicContact CZ-CG2 3.65Å; F80-V84 WeakPolarHBondContact O-CG2 3.15Å; F80-V84 PolarHBondContact O-N 2.92Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.05Å; V84-Y87 PolarHBondContact O-N 2.86Å; V84-G88 PolarHBondContact O-N 2.81Å; V84-L94 HydrophobicContact CG1-CD1 3.52Å; V84-L94 HydrophobicContact CG1-CD2 4.21Å; V84-L94 HydrophobicContact CG1-CG 4.45Å
85N76.7Confident77.2Confident89 Ų8941.2 Ų41.248%0.47624%0.235SC..Hα-helixtrans-66.3-33.8176.4-175.181.9000112.7L81 G82 L83 Y87 G88 R98L81-N85 WeakPolarHBondContact O-CB 3.48Å; L81-N85 PolarHBondContact O-N 2.97Å; G82-N85 WeakPolarHBondContact O-CB 3.44Å; G82-N85 PolarHBondContact O-N 2.89Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.3Å; N85-Y87 PolarHBondContact O-N 3.41Å; N85-G88 PolarHBondContact O-N 3.12Å; N85-G88 VanDerWaalsContact O-N 3.07Å; N85-R98 PolarHBondContact OD1-NH1 3.3Å
86Y73.5Confident77.3Confident109 Ų10942.6 Ų42.643%0.42724%0.235SC..Hα-helixtrans-58.9-37.4177-172-103.7000112.1L46 F48 G82 L83 V84L46-Y86 PolarHBondContact O-OH 2.94Å; F48-Y86 AromaticContact CE1-CE1 3.99Å; F48-Y86 HydrophobicContact CE1-CE1 3.99Å; F48-Y86 HydrophobicContact CE2-CE1 4.2Å; F48-Y86 HydrophobicContact CZ-CD1 4.28Å; F48-Y86 AromaticContact CZ-CE1 3.56Å; F48-Y86 HydrophobicContact CZ-CE1 3.56Å; F48-Y86 AromaticContact CZ-CZ 3.73Å; G82-Y86 PolarHBondContact O-N 2.78Å; L83-Y86 VanDerWaalsContact O-CB 3.29Å; L83-Y86 WeakPolarHBondContact O-CB 3.41Å; L83-Y86 PolarHBondContact O-N 2.78Å; L83-Y86 VanDerWaalsContact O-N 3.15Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.05Å
87Y73.2Confident77.4Confident11 Ų1140.6 Ų40.64%0.04322%0.22CC..THydrogen-bonded Turntrans-95.411.5176.3-60.4-65.9000113.8F48 P57 Q61 I62 I65 L83 V84 N85 A89 F90F48-Y87 HydrophobicContact CD1-CD1 4.48Å; F48-Y87 HydrophobicContact CD1-CE1 4.18Å; F48-Y87 AromaticContact CE1-CD1 3.83Å; F48-Y87 HydrophobicContact CE1-CD1 3.83Å; F48-Y87 AromaticContact CE1-CE1 3.73Å; F48-Y87 HydrophobicContact CE1-CE1 3.73Å; P57-Y87 HydrophobicContact CB-CD1 3.55Å; P57-Y87 HydrophobicContact CB-CE1 3.56Å; P57-Y87 HydrophobicContact CB-CG 4.33Å; P57-Y87 HydrophobicContact CG-CD1 3.68Å; P57-Y87 HydrophobicContact CG-CE1 4.2Å; P57-Y87 HydrophobicContact CG-CG 4.35Å; Q61-Y87 HydrophobicContact CB-CE2 4.3Å; Q61-Y87 WeakPolarHBondContact CB-OH 3.06Å; Q61-Y87 WeakPolarHBondContact CG-OH 3.4Å; I62-Y87 HydrophobicContact CD1-CD2 4.1Å; I62-Y87 HydrophobicContact CD1-CE2 4.33Å; I62-Y87 HydrophobicContact CD1-CG 4.22Å; I65-Y87 HydrophobicContact CD1-CD2 3.67Å; I65-Y87 HydrophobicContact CD1-CE2 3.81Å; L83-Y87 HydrophobicContact CD1-CD2 4.43Å; L83-Y87 HydrophobicContact CD1-CE2 3.79Å; L83-Y87 HydrophobicContact CG-CE2 4.36Å; L83-Y87 WeakPolarHBondContact O-CD2 3.38Å; L83-Y87 PolarHBondContact O-N 2.91Å; V84-Y87 PolarHBondContact O-N 2.86Å; N85-Y87 PolarHBondContact O-N 3.41Å; Y87-A89 PolarHBondContact O-N 2.74Å; Y87-A89 VanDerWaalsContact O-N 3.11Å; Y87-F90 HydrophobicContact CD1-CD2 4.28Å; Y87-F90 HydrophobicContact CD1-CE2 4.31Å; Y87-F90 WeakPolarHBondContact O-CB 3.32Å; Y87-F90 WeakPolarHBondContact O-CD2 3.39Å; Y87-F90 PolarHBondContact O-N 3.5Å
88G77.1Confident77.5Confident9 Ų942.4 Ų42.49%0.09323%0.227CC..G310 helixtrans-64.1-20.6-176.700000114.8V84 N85 F90 V91V84-G88 PolarHBondContact O-N 2.81Å; N85-G88 PolarHBondContact O-N 3.12Å; N85-G88 VanDerWaalsContact O-N 3.07Å; G88-F90 PolarHBondContact O-N 2.82Å; G88-V91 PolarHBondContact O-N 3.21Å
89A80.1Confident77.6Confident28 Ų2836 Ų3623%0.23121%0.206CC..G310 helixtrans-66.5-14.2173.300000113.8Y87 L134 H172Y87-A89 PolarHBondContact O-N 2.74Å; Y87-A89 VanDerWaalsContact O-N 3.11Å; A89-L134 WeakPolarHBondContact O-CD1 3.41Å; A89-H172 WeakPolarHBondContact CA-O 3.48Å; A89-H172 WeakPolarHBondContact O-CB 3.19Å; A89-H172 PolarHBondContact O-CD2 3.22Å; A89-H172 PolarHBondContact O-N 3.36Å
90F79.1Confident77.7Confident4 Ų433.4 Ų33.42%0.01819%0.187CC..G310 helixtrans-103-9.2-177.9-60.3-90.6000113.1F48 R55 P57 Y87 G88 L132 L134F48-F90 AromaticContact CD1-CE2 3.69Å; F48-F90 HydrophobicContact CD1-CE2 3.69Å; F48-F90 AromaticContact CD1-CZ 3.56Å; F48-F90 HydrophobicContact CD1-CZ 3.56Å; F48-F90 HydrophobicContact CE1-CD2 4.49Å; F48-F90 AromaticContact CE1-CE2 3.37Å; F48-F90 HydrophobicContact CE1-CE2 3.37Å; F48-F90 AromaticContact CE1-CZ 3.76Å; F48-F90 HydrophobicContact CE1-CZ 3.76Å; F48-F90 HydrophobicContact CG-CZ 4.49Å; F48-F90 HydrophobicContact CZ-CE2 4.31Å; R55-F90 HydrophobicContact CG-CE1 4.25Å; R55-F90 HydrophobicContact CG-CZ 4.44Å; P57-F90 HydrophobicContact CG-CB 4.31Å; P57-F90 HydrophobicContact CG-CD1 3.94Å; P57-F90 HydrophobicContact CG-CD2 3.89Å; P57-F90 HydrophobicContact CG-CE1 4.19Å; P57-F90 HydrophobicContact CG-CE2 4.18Å; P57-F90 HydrophobicContact CG-CG 3.77Å; P57-F90 HydrophobicContact CG-CZ 4.29Å; Y87-F90 HydrophobicContact CD1-CD2 4.28Å; Y87-F90 HydrophobicContact CD1-CE2 4.31Å; Y87-F90 WeakPolarHBondContact O-CB 3.32Å; Y87-F90 WeakPolarHBondContact O-CD2 3.39Å; Y87-F90 PolarHBondContact O-N 3.5Å; G88-F90 PolarHBondContact O-N 2.82Å; F90-L132 HydrophobicContact CB-CD2 3.87Å; F90-L132 WeakPolarHBondContact CD1-O 3.15Å; F90-L134 HydrophobicContact CD1-CD1 3.34Å; F90-L134 HydrophobicContact CD1-CD2 4.5Å; F90-L134 HydrophobicContact CD1-CG 3.52Å; F90-L134 HydrophobicContact CE1-CB 4.42Å; F90-L134 HydrophobicContact CE1-CD1 3.49Å; F90-L134 VanDerWaalsContact CE1-CD1 3.49Å; F90-L134 HydrophobicContact CE1-CG 3.82Å; F90-L134 HydrophobicContact CG-CD1 3.95Å; F90-L134 HydrophobicContact CG-CG 4.42Å; F90-L134 HydrophobicContact CZ-CD1 4.17Å
91V78.9Confident77.8Confident15 Ų1533.2 Ų33.29%0.09119%0.186CC..  trans-120.1112.9-171.8179.40000109.3G88 L94 L97 I127 L132G88-V91 PolarHBondContact O-N 3.21Å; V91-L94 HydrophobicContact CB-CB 4.34Å; V91-L94 HydrophobicContact CG1-CB 4.15Å; V91-L94 HydrophobicContact CG1-CD1 4.28Å; V91-L97 HydrophobicContact CG1-CD1 4.09Å; V91-I127 HydrophobicContact CB-CD1 4.33Å; V91-I127 HydrophobicContact CG1-CD1 3.56Å; V91-I127 HydrophobicContact CG2-CD1 3.81Å; V91-L132 HydrophobicContact CG2-CD2 4.09Å
92L76.8Confident77.8Confident83 Ų8334.1 Ų34.144%0.43519%0.191SC..THydrogen-bonded Turntrans-66.8145.3170.8-172.361.3000110.3L94 V157L92-L94 PolarHBondContact O-N 3.07Å; L92-V157 HydrophobicContact CD1-CB 4.27Å
93G74.8Confident77.7Confident16 Ų1634.5 Ų34.517%0.16519%0.191CC..THydrogen-bonded Turntrans67.416.9175.800000114.8S95 E96 L97G93-S95 PolarHBondContact O-N 2.8Å; G93-E96 WeakPolarHBondContact O-CB 3.44Å; G93-E96 PolarHBondContact O-N 3.35Å; G93-L97 PolarHBondContact O-N 3.39Å
94L79.1Confident77.7Confident2 Ų233.3 Ų33.31%0.0118%0.182CC..Hα-helixtrans-57.2-28.6-176.218064.1000113.5V84 V91 L92 E96 L97 R98V84-L94 HydrophobicContact CG1-CD1 3.52Å; V84-L94 HydrophobicContact CG1-CD2 4.21Å; V84-L94 HydrophobicContact CG1-CG 4.45Å; V91-L94 HydrophobicContact CB-CB 4.34Å; V91-L94 HydrophobicContact CG1-CB 4.15Å; V91-L94 HydrophobicContact CG1-CD1 4.28Å; L92-L94 PolarHBondContact O-N 3.07Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.06Å; L94-L97 HydrophobicContact CD1-CB 4.37Å; L94-L97 HydrophobicContact CD1-CD1 4.44Å; L94-L97 PolarHBondContact O-N 2.87Å; L94-R98 HydrophobicContact CD1-CG 4Å; L94-R98 HydrophobicContact CG-CG 4.04Å; L94-R98 VanDerWaalsContact O-CB 3.28Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 WeakPolarHBondContact O-CG 3.38Å; L94-R98 PolarHBondContact O-N 2.84Å
95S78.1Confident77.6Confident2 Ų235.5 Ų35.51%0.01419%0.194CC..Hα-helixtrans-62-35.1177.149.80000112.8G93 R98 A99 V154 G175G93-S95 PolarHBondContact O-N 2.8Å; S95-R98 PolarHBondContact O-N 3.43Å; S95-A99 PolarHBondContact O-N 3.5Å; S95-V154 PolarHBondContact OG-O 3.44Å; S95-G175 WeakPolarHBondContact CB-O 3.21Å; S95-G175 PolarHBondContact OG-O 2.9Å
96E79.4Confident77.1Confident106 Ų10639.5 Ų39.550%0.49520%0.202SC..Hα-helixtrans-71.3-47.8176.4-176.7167.6177.800111.1G93 L94 R98 A99 P100G93-E96 WeakPolarHBondContact O-CB 3.44Å; G93-E96 PolarHBondContact O-N 3.35Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.06Å; E96-R98 PolarHBondContact O-N 3.28Å; E96-A99 WeakPolarHBondContact O-CB 3.33Å; E96-A99 PolarHBondContact O-N 2.67Å; E96-P100 WeakPolarHBondContact O-CD 3.39Å
97L77.5Confident76.7Confident24 Ų2440.7 Ų40.713%0.12621%0.209CC..Hα-helixtrans-57.3-34.4173.3-63.2175.8000111.8V91 G93 L94 A120 H123 V124V91-L97 HydrophobicContact CG1-CD1 4.09Å; G93-L97 PolarHBondContact O-N 3.39Å; L94-L97 HydrophobicContact CD1-CB 4.37Å; L94-L97 HydrophobicContact CD1-CD1 4.44Å; L94-L97 PolarHBondContact O-N 2.87Å; L97-A120 VanDerWaalsContact O-CB 3.28Å; L97-A120 WeakPolarHBondContact O-CB 3.47Å; L97-H123 HydrophobicContact CD2-CB 3.83Å; L97-V124 HydrophobicContact CD1-CG2 3.92Å
98R80.1Confident76Confident38 Ų3847.4 Ų47.414%0.14325%0.252CS..Hα-helixtrans-83.1-15.3179.3-73.1175.763.9176.74.4114.4L81 N85 L94 S95 E96 L101 N102L81-R98 HydrophobicContact CD1-CG 4.11Å; N85-R98 PolarHBondContact OD1-NH1 3.3Å; L94-R98 HydrophobicContact CD1-CG 4Å; L94-R98 HydrophobicContact CG-CG 4.04Å; L94-R98 VanDerWaalsContact O-CB 3.28Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 WeakPolarHBondContact O-CG 3.38Å; L94-R98 PolarHBondContact O-N 2.84Å; S95-R98 PolarHBondContact O-N 3.43Å; E96-R98 PolarHBondContact O-N 3.28Å; R98-L101 CarbonylContact O-C 3.39Å; R98-L101 WeakPolarHBondContact O-CB 3.26Å; R98-L101 PolarHBondContact O-N 3.48Å; R98-L101 VanDerWaalsContact O-N 3.1Å; R98-N102 WeakPolarHBondContact O-CB 3.49Å; R98-N102 PolarHBondContact O-N 3.49Å
99A81.1Confident75.5Confident15 Ų1549.7 Ų49.712%0.12428%0.276CS..Hα-helixtrans-53.1-52.1-178.100000113S95 E96 L101 N102 A103 Y152S95-A99 PolarHBondContact O-N 3.5Å; E96-A99 WeakPolarHBondContact O-CB 3.33Å; E96-A99 PolarHBondContact O-N 2.67Å; A99-L101 VanDerWaalsContact C-N 3.29Å; A99-L101 PolarHBondContact O-N 2.74Å; A99-N102 PolarHBondContact O-N 3.45Å; A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 3.49Å; A99-Y152 HydrophobicContact CB-CD1 3.97Å; A99-Y152 HydrophobicContact CB-CD2 3.74Å; A99-Y152 HydrophobicContact CB-CE2 4.34Å; A99-Y152 HydrophobicContact CB-CG 3.52Å
100P78.3Confident74.9Confident31 Ų3159.9 Ų59.920%0.20131%0.308CS..Hα-helixtrans-64.1-35.6176.824.5-34.2000112.3E96 R104 E116 A120E96-P100 WeakPolarHBondContact O-CD 3.39Å; P100-R104 PolarHBondContact O-N 2.79Å; P100-E116 HydrophobicContact CB-CB 4.03Å; P100-A120 HydrophobicContact CG-CB 3.83Å
101L80.1Confident74.4Confident4 Ų462 Ų622%0.02132%0.316CS..Hα-helixtrans-67.8-46-179.7-52.3-175.6000111.7F77 L81 R98 A99 R104 L105 C117 A120F77-L101 WeakPolarHBondContact CE1-O 3.25Å; F77-L101 HydrophobicContact CE2-CB 4.18Å; F77-L101 HydrophobicContact CE2-CD2 3.96Å; F77-L101 HydrophobicContact CZ-CB 3.7Å; F77-L101 HydrophobicContact CZ-CD2 4.23Å; F77-L101 HydrophobicContact CZ-CG 4.49Å; F77-L101 VanDerWaalsContact CZ-O 3.28Å; F77-L101 WeakPolarHBondContact CZ-O 3.4Å; L81-L101 HydrophobicContact CD1-CB 4.17Å; L81-L101 HydrophobicContact CD1-CD1 4.16Å; R98-L101 CarbonylContact O-C 3.39Å; R98-L101 WeakPolarHBondContact O-CB 3.26Å; R98-L101 PolarHBondContact O-N 3.48Å; R98-L101 VanDerWaalsContact O-N 3.1Å; A99-L101 VanDerWaalsContact C-N 3.29Å; A99-L101 PolarHBondContact O-N 2.74Å; L101-R104 WeakPolarHBondContact O-CB 3.34Å; L101-R104 PolarHBondContact O-N 3.3Å; L101-L105 PolarHBondContact O-N 2.77Å; L101-C117 HydrophobicContact CD2-CB 3.82Å; L101-A120 HydrophobicContact CD2-CB 4.17Å; L101-A120 HydrophobicContact CG-CB 4.3Å
102N79.4Confident74Confident31 Ų3168.2 Ų68.217%0.16634%0.342CS..Hα-helixtrans-66.2-39.8177.7-74.1-23.4000111.4R98 A99 R104 L105R98-N102 WeakPolarHBondContact O-CB 3.49Å; R98-N102 PolarHBondContact O-N 3.49Å; A99-N102 PolarHBondContact O-N 3.45Å; N102-R104 PolarHBondContact O-N 3.29Å; N102-L105 WeakPolarHBondContact O-CB 3.33Å; N102-L105 PolarHBondContact O-N 3.24Å; N102-L105 VanDerWaalsContact O-N 3.12Å
103A75.8Confident73.9Confident50 Ų5067.1 Ų67.141%0.41333%0.332SS..Hα-helixtrans-58.9-34.1175.700000111.9A99 R106A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 3.49Å; A103-R106 PolarHBondContact O-N 2.67Å
104R75.4Confident73.9Confident24 Ų2468.9 Ų68.99%0.09134%0.337CS..Hα-helixtrans-68.5-31.3177-169.663.8-119.2-161.5-5.4113.5F77 P100 L101 N102 R106 R110 W111 K112F77-R104 HydrophobicContact CE1-CB 4.45Å; F77-R104 HydrophobicContact CZ-CB 4.39Å; P100-R104 PolarHBondContact O-N 2.79Å; L101-R104 WeakPolarHBondContact O-CB 3.34Å; L101-R104 PolarHBondContact O-N 3.3Å; N102-R104 PolarHBondContact O-N 3.29Å; R104-R106 VanDerWaalsContact C-N 3.26Å; R104-R106 PolarHBondContact O-N 3.3Å; R104-R110 PolarHBondContact NH2-O 3.24Å; R104-W111 HydrophobicContact CG-CE3 4.22Å; R104-W111 HydrophobicContact CG-CH2 3.75Å; R104-W111 HydrophobicContact CG-CZ3 3.52Å; R104-K112 PolarHBondContact NH1-O 3.33Å
105L74.7Confident73.9Confident55 Ų5572.9 Ų72.929%0.28837%0.371SS..Hα-helixtrans-66.5-28.3175.2-70.6179.4000113Q74 F77 R78 L81 L101 N102Q74-L105 HydrophobicContact CG-CD2 4.33Å; F77-L105 HydrophobicContact CD1-CD2 3.67Å; F77-L105 HydrophobicContact CD1-CG 4.35Å; F77-L105 HydrophobicContact CE1-CD2 3.65Å; F77-L105 HydrophobicContact CE1-CG 3.82Å; R78-L105 HydrophobicContact CG-CD2 3.79Å; L81-L105 HydrophobicContact CD2-CD1 3.58Å; L101-L105 PolarHBondContact O-N 2.77Å; N102-L105 WeakPolarHBondContact O-CB 3.33Å; N102-L105 PolarHBondContact O-N 3.24Å; N102-L105 VanDerWaalsContact O-N 3.12Å
106R67.7Low74Confident173 Ų17378.6 Ų78.665%0.65340%0.397SS*.Hα-helixtrans-82.8-25.2-175.8-66.4-177.4177.5-177.80.3113.6A103 R104 T108A103-R106 PolarHBondContact O-N 2.67Å; R104-R106 VanDerWaalsContact C-N 3.26Å; R104-R106 PolarHBondContact O-N 3.3Å; R106-T108 PolarHBondContact O-N 2.85Å
107K63.4Low73.9Confident133 Ų13373.6 Ų73.658%0.57837%0.374SS*.  trans-72.6114.7-174.5-73.3-173.5178.6178.70111.2G109K107-G109 PolarHBondContact O-N 3.23Å; K107-G109 VanDerWaalsContact O-N 3.15Å
108T58.4Low74.1Confident153 Ų15375 Ų7594%0.93938%0.38SS*.  trans-71.297.3164.645.60000109.1R106R106-T108 PolarHBondContact O-N 2.85Å
109G66.7Low74.2Confident57 Ų5779.8 Ų79.859%0.58840%0.404SS*.SBendtrans175.3172.3178.600000111.7K107 W111K107-G109 PolarHBondContact O-N 3.23Å; K107-G109 VanDerWaalsContact O-N 3.15Å; G109-W111 PolarHBondContact O-N 3.33Å
110R67.2Low74.1Confident241 Ų24179.4 Ų79.491%0.90940%0.401SS*.  trans-55.5132.8178-67.8-176.7-177.1169.71.4110.2R104 K112R104-R110 PolarHBondContact NH2-O 3.24Å; R110-K112 PolarHBondContact O-N 3.36Å
111W69.6Low74Confident50 Ų5078 Ų7819%0.18939%0.391CS..  trans-57.7125175.5179.9-96.9000109.4P71 S72 Q74 F77 R104 G109 W113P71-W111 HydrophobicContact CG-CZ2 4.31Å; P71-W111 PolarHBondContact O-NE1 3.47Å; S72-W111 VanDerWaalsContact C-CD1 3.46Å; S72-W111 VanDerWaalsContact C-NE1 3.35Å; S72-W111 PolarHBondContact O-NE1 3.37Å; Q74-W111 HydrophobicContact CB-CE3 3.87Å; Q74-W111 HydrophobicContact CB-CZ3 4.19Å; Q74-W111 HydrophobicContact CG-CE3 4.28Å; Q74-W111 HydrophobicContact CG-CZ3 4.21Å; F77-W111 HydrophobicContact CB-CH2 3.45Å; F77-W111 VanDerWaalsContact CB-CH2 3.45Å; F77-W111 HydrophobicContact CB-CZ2 3.72Å; F77-W111 HydrophobicContact CB-CZ3 4.22Å; F77-W111 AromaticContact CD1-CH2 3.31Å; F77-W111 HydrophobicContact CD1-CH2 3.31Å; F77-W111 HydrophobicContact CD1-CZ2 4.36Å; F77-W111 AromaticContact CD1-CZ3 3.73Å; F77-W111 HydrophobicContact CD1-CZ3 3.73Å; F77-W111 AromaticContact CD2-CH2 3.63Å; F77-W111 HydrophobicContact CD2-CH2 3.63Å; F77-W111 HydrophobicContact CD2-CZ2 4.05Å; F77-W111 AromaticContact CE1-CH2 3.78Å; F77-W111 HydrophobicContact CE1-CH2 3.78Å; F77-W111 HydrophobicContact CE1-CZ3 4.17Å; F77-W111 HydrophobicContact CE2-CH2 4.07Å; F77-W111 AromaticContact CG-CH2 3.18Å; F77-W111 HydrophobicContact CG-CH2 3.18Å; F77-W111 AromaticContact CG-CZ2 3.82Å; F77-W111 HydrophobicContact CG-CZ2 3.82Å; F77-W111 HydrophobicContact CG-CZ3 4.03Å; F77-W111 HydrophobicContact CZ-CH2 4.12Å; R104-W111 HydrophobicContact CG-CE3 4.22Å; R104-W111 HydrophobicContact CG-CH2 3.75Å; R104-W111 HydrophobicContact CG-CZ3 3.52Å; G109-W111 PolarHBondContact O-N 3.33Å; W111-W113 HydrophobicContact CH2-CZ3 4.49Å; W111-W113 AromaticContact CZ2-CE3 3.78Å; W111-W113 HydrophobicContact CZ2-CE3 3.78Å; W111-W113 AromaticContact CZ2-CZ3 3.99Å; W111-W113 HydrophobicContact CZ2-CZ3 3.99Å
112K70.3Confident74.1Confident145 Ų14580.5 Ų80.563%0.6341%0.405SS*.  trans-140.3122.9173.1-173178.1-179.8-178.20107.6R104 R110 L114R104-K112 PolarHBondContact NH1-O 3.33Å; R110-K112 PolarHBondContact O-N 3.36Å; K112-L114 HydrophobicContact CD-CD2 4.39Å; K112-L114 HydrophobicContact CG-CD2 4.4Å
113W73.9Confident74.2Confident60 Ų6083.8 Ų83.823%0.22742%0.419CS..  trans-68.9125.4171.5-164.4-111.5000109.2P71 F77 W111 C117 I121P71-W113 VanDerWaalsContact CD-CH2 3.5Å; P71-W113 VanDerWaalsContact CD-CZ3 3.43Å; P71-W113 HydrophobicContact CG-CE3 4.02Å; P71-W113 HydrophobicContact CG-CH2 3.94Å; P71-W113 HydrophobicContact CG-CZ3 3.46Å; P71-W113 VanDerWaalsContact CG-CZ3 3.46Å; F77-W113 HydrophobicContact CD2-CH2 4.36Å; F77-W113 AromaticContact CD2-CZ3 3.78Å; F77-W113 HydrophobicContact CD2-CZ3 3.78Å; F77-W113 HydrophobicContact CE2-CH2 4.19Å; F77-W113 AromaticContact CE2-CZ3 3.8Å; F77-W113 HydrophobicContact CE2-CZ3 3.8Å; W111-W113 HydrophobicContact CH2-CZ3 4.49Å; W111-W113 AromaticContact CZ2-CE3 3.78Å; W111-W113 HydrophobicContact CZ2-CE3 3.78Å; W111-W113 AromaticContact CZ2-CZ3 3.99Å; W111-W113 HydrophobicContact CZ2-CZ3 3.99Å; W113-C117 HydrophobicContact CD2-CB 4.25Å; W113-C117 HydrophobicContact CE3-CB 4.19Å; W113-C117 HydrophobicContact CH2-CB 3.61Å; W113-C117 HydrophobicContact CZ2-CB 3.73Å; W113-C117 HydrophobicContact CZ3-CB 3.87Å; W113-I121 HydrophobicContact CH2-CD1 3.35Å; W113-I121 HydrophobicContact CH2-CG1 4.02Å; W113-I121 HydrophobicContact CZ2-CD1 3.51Å; W113-I121 HydrophobicContact CZ2-CG1 4.05Å
114L75Confident74.3Confident52 Ų5282.6 Ų82.627%0.27241%0.407SS..  trans-107.1155.6-178.1-61.9179.8000110K112 E116 C117 Q118K112-L114 HydrophobicContact CD-CD2 4.39Å; K112-L114 HydrophobicContact CG-CD2 4.4Å; L114-E116 PolarHBondContact O-N 3.35Å; L114-C117 WeakPolarHBondContact O-CB 3.44Å; L114-C117 PolarHBondContact O-N 3.45Å; L114-Q118 PolarHBondContact O-N 3.04Å; L114-Q118 VanDerWaalsContact O-N 3.11Å
115A80.5Confident74.4Confident87 Ų8783.8 Ų83.872%0.71941%0.413SS*.Hα-helixtrans-56.6-39.1177.100000112.1C117 Q118 Q119A115-C117 VanDerWaalsContact C-N 3.31Å; A115-C117 PolarHBondContact O-N 2.85Å; A115-Q118 WeakPolarHBondContact O-CB 3.45Å; A115-Q118 PolarHBondContact O-N 3.16Å; A115-Q118 VanDerWaalsContact O-N 3.13Å; A115-Q119 WeakPolarHBondContact O-CB 3.47Å; A115-Q119 PolarHBondContact O-N 3.19Å
116E79.9Confident74.9Confident121 Ų12188.1 Ų88.157%0.56543%0.431SS*.Hα-helixtrans-59.6-39.5176.2-62.4160.1-169.600112.4P100 L114 A120P100-E116 HydrophobicContact CB-CB 4.03Å; L114-E116 PolarHBondContact O-N 3.35Å; E116-A120 WeakPolarHBondContact O-CB 2.99Å; E116-A120 PolarHBondContact O-N 3.44Å
117C76.3Confident75.5Confident2 Ų281.1 Ų81.11%0.01441%0.406CS..Hα-helixtrans-69.7-38.7176.5-61.20000111.2L101 W113 L114 A115 A120 I121L101-C117 HydrophobicContact CD2-CB 3.82Å; W113-C117 HydrophobicContact CD2-CB 4.25Å; W113-C117 HydrophobicContact CE3-CB 4.19Å; W113-C117 HydrophobicContact CH2-CB 3.61Å; W113-C117 HydrophobicContact CZ2-CB 3.73Å; W113-C117 HydrophobicContact CZ3-CB 3.87Å; L114-C117 WeakPolarHBondContact O-CB 3.44Å; L114-C117 PolarHBondContact O-N 3.45Å; A115-C117 VanDerWaalsContact C-N 3.31Å; A115-C117 PolarHBondContact O-N 2.85Å; C117-A120 PolarHBondContact O-N 2.88Å; C117-I121 WeakPolarHBondContact O-CG1 3.5Å; C117-I121 PolarHBondContact O-N 2.92Å
118Q81.5Confident76.2Confident53 Ų5377.7 Ų77.725%0.24840%0.398CS..Hα-helixtrans-64.7-46.8176.8-17155.456.500110.6L114 A115 A120 I121 D122L114-Q118 PolarHBondContact O-N 3.04Å; L114-Q118 VanDerWaalsContact O-N 3.11Å; A115-Q118 WeakPolarHBondContact O-CB 3.45Å; A115-Q118 PolarHBondContact O-N 3.16Å; A115-Q118 VanDerWaalsContact O-N 3.13Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.45Å; Q118-I121 CarbonylContact O-C 3.59Å; Q118-I121 PolarHBondContact O-N 3.33Å; Q118-I121 VanDerWaalsContact O-N 3.09Å; Q118-D122 WeakPolarHBondContact CG-OD2 3.37Å; Q118-D122 VanDerWaalsContact NE2-CG 3.35Å; Q118-D122 PolarHBondContact NE2-OD1 3.37Å; Q118-D122 PolarHBondContact NE2-OD2 2.78Å; Q118-D122 WeakPolarHBondContact O-CB 3.24Å; Q118-D122 PolarHBondContact O-N 3.01Å
119Q83Confident77.2Confident139 Ų13974.4 Ų74.465%0.6537%0.372SS*.Hα-helixtrans-58.3-43.2176.7-173.8-178.71100112.2A115 I121 D122 H123A115-Q119 WeakPolarHBondContact O-CB 3.47Å; A115-Q119 PolarHBondContact O-N 3.19Å; Q119-I121 VanDerWaalsContact C-N 3.34Å; Q119-I121 PolarHBondContact O-N 3.01Å; Q119-D122 PolarHBondContact O-N 3.41Å; Q119-H123 WeakPolarHBondContact O-CB 3.49Å; Q119-H123 PolarHBondContact O-N 3.28Å
120A78.1Confident77.7Confident7 Ų775.9 Ų75.96%0.05837%0.373CS..Hα-helixtrans-63.2-40175.500000112.6L97 P100 L101 E116 C117 Q118 V124L97-A120 VanDerWaalsContact O-CB 3.28Å; L97-A120 WeakPolarHBondContact O-CB 3.47Å; P100-A120 HydrophobicContact CG-CB 3.83Å; L101-A120 HydrophobicContact CD2-CB 4.17Å; L101-A120 HydrophobicContact CG-CB 4.3Å; E116-A120 WeakPolarHBondContact O-CB 2.99Å; E116-A120 PolarHBondContact O-N 3.44Å; C117-A120 PolarHBondContact O-N 2.88Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.45Å; A120-V124 WeakPolarHBondContact O-CG2 3.11Å; A120-V124 PolarHBondContact O-N 3.46Å
121I77.5Confident78.3Confident0 Ų068.8 Ų68.80%035%0.353CS..Hα-helixtrans-65.7-45.9174.2-72.2-161000110.6F80 W113 C117 Q118 Q119 H123 V124 K125F80-I121 HydrophobicContact CD1-CD1 3.98Å; F80-I121 HydrophobicContact CE1-CD1 3.39Å; F80-I121 HydrophobicContact CE1-CG1 3.62Å; F80-I121 HydrophobicContact CE2-CD1 4.24Å; F80-I121 HydrophobicContact CZ-CB 4.48Å; F80-I121 HydrophobicContact CZ-CD1 3.55Å; F80-I121 HydrophobicContact CZ-CG1 3.77Å; F80-I121 HydrophobicContact CZ-CG2 4.17Å; W113-I121 HydrophobicContact CH2-CD1 3.35Å; W113-I121 HydrophobicContact CH2-CG1 4.02Å; W113-I121 HydrophobicContact CZ2-CD1 3.51Å; W113-I121 HydrophobicContact CZ2-CG1 4.05Å; C117-I121 WeakPolarHBondContact O-CG1 3.5Å; C117-I121 PolarHBondContact O-N 2.92Å; Q118-I121 CarbonylContact O-C 3.59Å; Q118-I121 PolarHBondContact O-N 3.33Å; Q118-I121 VanDerWaalsContact O-N 3.09Å; Q119-I121 VanDerWaalsContact C-N 3.34Å; Q119-I121 PolarHBondContact O-N 3.01Å; I121-H123 VanDerWaalsContact C-N 3.3Å; I121-H123 PolarHBondContact O-N 3.41Å; I121-V124 WeakPolarHBondContact O-CB 3.27Å; I121-V124 PolarHBondContact O-N 2.98Å; I121-V124 VanDerWaalsContact O-N 3.14Å; I121-K125 HydrophobicContact CG2-CD 4.06Å; I121-K125 VanDerWaalsContact CG2-CE 3.4Å; I121-K125 HydrophobicContact CG2-CG 4.36Å; I121-K125 VanDerWaalsContact O-CG 3.31Å; I121-K125 WeakPolarHBondContact O-CG 3.36Å; I121-K125 PolarHBondContact O-N 2.89Å
122D82.5Confident78.9Confident58 Ų5866.8 Ų66.831%0.3135%0.346SS..Hα-helixtrans-62.4-40.7-178.4-65.6-24.5000110.8Q118 Q119 V124 K125 E126Q118-D122 WeakPolarHBondContact CG-OD2 3.37Å; Q118-D122 VanDerWaalsContact NE2-CG 3.35Å; Q118-D122 PolarHBondContact NE2-OD1 3.37Å; Q118-D122 PolarHBondContact NE2-OD2 2.78Å; Q118-D122 WeakPolarHBondContact O-CB 3.24Å; Q118-D122 PolarHBondContact O-N 3.01Å; Q119-D122 PolarHBondContact O-N 3.41Å; D122-V124 PolarHBondContact O-N 3.27Å; D122-K125 CarbonylContact O-C 3.55Å; D122-K125 WeakPolarHBondContact O-CA 3.44Å; D122-K125 WeakPolarHBondContact O-CB 3.49Å; D122-K125 PolarHBondContact O-N 3.41Å; D122-E126 WeakPolarHBondContact O-CG 3.49Å; D122-E126 PolarHBondContact O-N 2.94Å
123H81.5Confident79.7Confident100 Ų10063.4 Ų63.446%0.46333%0.334SS..Hα-helixtrans-59.5-44.1173.6-164.7113.3000112L97 Q119 I121 K125 E126 I127L97-H123 HydrophobicContact CD2-CB 3.83Å; Q119-H123 WeakPolarHBondContact O-CB 3.49Å; Q119-H123 PolarHBondContact O-N 3.28Å; I121-H123 VanDerWaalsContact C-N 3.3Å; I121-H123 PolarHBondContact O-N 3.41Å; H123-K125 PolarHBondContact O-N 2.92Å; H123-E126 PolarHBondContact O-N 2.87Å; H123-I127 WeakPolarHBondContact O-CG1 3.38Å; H123-I127 PolarHBondContact O-N 2.76Å
124V76.7Confident80.5Confident25 Ų2560.5 Ų60.515%0.15232%0.324CS..Hα-helixtrans-61.4-33.7174.8171.80000111.5L97 A120 I121 D122L97-V124 HydrophobicContact CD1-CG2 3.92Å; A120-V124 WeakPolarHBondContact O-CG2 3.11Å; A120-V124 PolarHBondContact O-N 3.46Å; I121-V124 WeakPolarHBondContact O-CB 3.27Å; I121-V124 PolarHBondContact O-N 2.98Å; I121-V124 VanDerWaalsContact O-N 3.14Å; D122-V124 PolarHBondContact O-N 3.27Å
125K79Confident81.2Confident49 Ų4958.7 Ų58.721%0.21332%0.315CS..Hα-helixtrans-74.9-28.5178.1-66.1-178.5178.4-172.70113K66 V68 I121 D122 H123 I127K66-K125 HydrophobicContact CB-CG 4.49Å; K66-K125 WeakPolarHBondContact CE-O 3.3Å; K66-K125 HydrophobicContact CG-CB 4.33Å; K66-K125 HydrophobicContact CG-CG 4.29Å; K66-K125 WeakPolarHBondContact O-CD 3.4Å; K66-K125 WeakPolarHBondContact O-CE 3.4Å; K66-K125 PolarHBondContact O-NZ 3.13Å; V68-K125 PolarHBondContact O-NZ 3.05Å; I121-K125 HydrophobicContact CG2-CD 4.06Å; I121-K125 VanDerWaalsContact CG2-CE 3.4Å; I121-K125 HydrophobicContact CG2-CG 4.36Å; I121-K125 VanDerWaalsContact O-CG 3.31Å; I121-K125 WeakPolarHBondContact O-CG 3.36Å; I121-K125 PolarHBondContact O-N 2.89Å; D122-K125 CarbonylContact O-C 3.55Å; D122-K125 WeakPolarHBondContact O-CA 3.44Å; D122-K125 WeakPolarHBondContact O-CB 3.49Å; D122-K125 PolarHBondContact O-N 3.41Å; H123-K125 PolarHBondContact O-N 2.92Å; K125-I127 VanDerWaalsContact C-N 3.32Å
126E83.6Confident81.5Confident145 Ų14558 Ų5868%0.67830%0.296SS*.Hα-helixtrans-77.7-15.2178.4-74.8171.4-173.800113.2D122 H123 P128D122-E126 WeakPolarHBondContact O-CG 3.49Å; D122-E126 PolarHBondContact O-N 2.94Å; H123-E126 PolarHBondContact O-N 2.87Å; E126-P128 VanDerWaalsContact O-CD 3.26Å; E126-P128 WeakPolarHBondContact O-CD 3.49Å; E126-P128 VanDerWaalsContact O-N 3.14Å
127I81Confident81.8Confident26 Ų2656.4 Ų56.413%0.13329%0.286CS..SBendtrans-56.6119.4176.9-62.6172.2000109.5V91 H123 K125 D131 L132V91-I127 HydrophobicContact CB-CD1 4.33Å; V91-I127 HydrophobicContact CG1-CD1 3.56Å; V91-I127 HydrophobicContact CG2-CD1 3.81Å; H123-I127 WeakPolarHBondContact O-CG1 3.38Å; H123-I127 PolarHBondContact O-N 2.76Å; K125-I127 VanDerWaalsContact C-N 3.32Å; I127-D131 HydrophobicContact CG2-CB 4.29Å; I127-L132 HydrophobicContact CG2-CD2 3.83Å; I127-L132 HydrophobicContact CG2-CG 4.15Å
128P79.1Confident82Confident61 Ų6158.1 Ų58.140%0.39630%0.295SS..  trans-60.3143.4176.8-23.433.9000111.7E126 S130 D131E126-P128 VanDerWaalsContact O-CD 3.26Å; E126-P128 WeakPolarHBondContact O-CD 3.49Å; E126-P128 VanDerWaalsContact O-N 3.14Å; P128-S130 WeakPolarHBondContact CB-OG 3.31Å; P128-S130 PolarHBondContact O-N 3.17Å; P128-D131 WeakPolarHBondContact CD-OD2 3.41Å; P128-D131 WeakPolarHBondContact O-CB 3.35Å; P128-D131 PolarHBondContact O-N 3.33Å
129E78.7Confident81.8Confident85 Ų8558 Ų5840%0.39730%0.299SS..THydrogen-bonded Turntrans-65.4-25.9177.8-72.4169.3-164.600112.5L59 K66 D131 L132L59-E129 HydrophobicContact CD2-CB 4.26Å; L59-E129 HydrophobicContact CD2-CG 3.85Å; L59-E129 WeakPolarHBondContact CD2-OE2 3.37Å; K66-E129 IonicContact NZ-OE1 3.56Å; K66-E129 PolarHBondContact NZ-OE1 2.87Å; E129-D131 PolarHBondContact O-N 2.91Å; E129-L132 PolarHBondContact O-N 2.8Å
130S77Confident81.7Confident87 Ų8757 Ų5761%0.60830%0.302SS*.THydrogen-bonded Turntrans-59.4-35.8171.651.30000112.8P128 L132 L133P128-S130 WeakPolarHBondContact CB-OG 3.31Å; P128-S130 PolarHBondContact O-N 3.17Å; S130-L132 PolarHBondContact O-N 3.27Å; S130-L133 WeakPolarHBondContact O-CB 3.29Å; S130-L133 PolarHBondContact O-N 2.75Å
131D79.3Confident82Confident92 Ų9259.8 Ų59.849%0.49231%0.313SS..THydrogen-bonded Turntrans-78.6-19.2-174.3-61.89.3000110.8I127 P128 E129 L133I127-D131 HydrophobicContact CG2-CB 4.29Å; P128-D131 WeakPolarHBondContact CD-OD2 3.41Å; P128-D131 WeakPolarHBondContact O-CB 3.35Å; P128-D131 PolarHBondContact O-N 3.33Å; E129-D131 PolarHBondContact O-N 2.91Å; D131-L133 PolarHBondContact O-N 2.83Å
132L82.4Confident82.5Confident9 Ų964.3 Ų64.35%0.04733%0.334CS..THydrogen-bonded Turntrans-81.20.1173.6-55.6176.5000112.6S56 P57 I62 F90 V91 I127 E129 S130 L134S56-L132 WeakPolarHBondContact CA-O 3.49Å; P57-L132 WeakPolarHBondContact CD-O 3.15Å; P57-L132 HydrophobicContact CG-CB 4.18Å; P57-L132 HydrophobicContact CG-CD1 4.28Å; I62-L132 HydrophobicContact CD1-CD1 4.28Å; I62-L132 HydrophobicContact CG1-CD1 4.2Å; I62-L132 HydrophobicContact CG2-CD1 4.38Å; F90-L132 HydrophobicContact CB-CD2 3.87Å; F90-L132 WeakPolarHBondContact CD1-O 3.15Å; V91-L132 HydrophobicContact CG2-CD2 4.09Å; I127-L132 HydrophobicContact CG2-CD2 3.83Å; I127-L132 HydrophobicContact CG2-CG 4.15Å; E129-L132 PolarHBondContact O-N 2.8Å; S130-L132 PolarHBondContact O-N 3.27Å; L132-L134 PolarHBondContact O-N 2.99Å
133L87.8Confident82.7Confident73 Ų7361.5 Ų61.538%0.38232%0.319SS..  trans-84.8110.6175-179.363.5000110.5S130 D131S130-L133 WeakPolarHBondContact O-CB 3.29Å; S130-L133 PolarHBondContact O-N 2.75Å; D131-L133 PolarHBondContact O-N 2.83Å
134L89.7Confident83.1Confident0 Ų056.9 Ų56.90%030%0.298CS..BIsolated β-bridgetrans-97.7131173.7-58.9177.3000110.8G54 R55 A89 F90 L132 A169G54-L134 CarbonylContact C-O 3.24Å; G54-L134 WeakPolarHBondContact CA-O 2.88Å; R55-L134 HydrophobicContact CG-CB 4.24Å; R55-L134 PolarHBondContact N-O 3.46Å; R55-L134 PolarHBondContact O-N 2.91Å; A89-L134 WeakPolarHBondContact O-CD1 3.41Å; F90-L134 HydrophobicContact CD1-CD1 3.34Å; F90-L134 HydrophobicContact CD1-CD2 4.5Å; F90-L134 HydrophobicContact CD1-CG 3.52Å; F90-L134 HydrophobicContact CE1-CB 4.42Å; F90-L134 HydrophobicContact CE1-CD1 3.49Å; F90-L134 VanDerWaalsContact CE1-CD1 3.49Å; F90-L134 HydrophobicContact CE1-CG 3.82Å; F90-L134 HydrophobicContact CG-CD1 3.95Å; F90-L134 HydrophobicContact CG-CG 4.42Å; F90-L134 HydrophobicContact CZ-CD1 4.17Å; L132-L134 PolarHBondContact O-N 2.99Å; L134-A169 CarbonylContact C-O 3.4Å; L134-A169 VanDerWaalsContact CA-O 3.23Å; L134-A169 WeakPolarHBondContact CA-O 3.49Å; L134-A169 HydrophobicContact CD2-CB 3.82Å
135T90Very high83.8Confident14 Ų1455.7 Ų55.79%0.08629%0.291CS..PPolyproline II helixtrans-67.4151175-170.30000111.4H160 K168 A169 I170T135-H160 HydrophobicContact CG2-CB 4.47Å; T135-K168 HydrophobicContact CG2-CB 3.79Å; T135-K168 WeakPolarHBondContact CG2-O 3.41Å; T135-A169 WeakPolarHBondContact CG2-O 3.45Å; T135-A169 PolarHBondContact N-O 2.82Å; T135-I170 HydrophobicContact CG2-CG1 3.71Å
136H87.3Confident84.2Confident71 Ų7155.1 Ų55.133%0.32929%0.292SS..PPolyproline II helixtrans-63.1142.7168.3-67.3-51.5000111.2E51 G54 D138E51-H136 PolarHBondContact O-NE2 3.21Å; G54-H136 VanDerWaalsContact C-CE1 3.4Å; G54-H136 WeakPolarHBondContact CA-NE2 3.48Å; G54-H136 PolarHBondContact N-CD2 3.23Å; G54-H136 PolarHBondContact N-NE2 3.23Å; G54-H136 PolarHBondContact O-CE1 2.82Å; G54-H136 VanDerWaalsContact O-CE1 3.27Å; G54-H136 PolarHBondContact O-NE2 3.11Å; H136-D138 PolarHBondContact O-N 2.95Å
137Y85Confident84.4Confident88 Ų8848.5 Ų48.535%0.34526%0.261SS..PPolyproline II helixtrans-68.8128.4169.2175.2-114.1000110.4P139 I143 H160 I170 V204 R208Y137-P139 HydrophobicContact CE1-CB 4.41Å; Y137-I143 HydrophobicContact CE2-CD1 3.96Å; Y137-I143 HydrophobicContact CE2-CG1 4.45Å; Y137-H160 AromaticContact CD2-CE1 3.93Å; Y137-H160 AromaticContact CD2-NE2 3.55Å; Y137-I170 HydrophobicContact CD2-CD1 4.18Å; Y137-V204 HydrophobicContact CD1-CG1 4.43Å; Y137-V204 HydrophobicContact CD2-CG1 3.37Å; Y137-V204 HydrophobicContact CE1-CG1 4.22Å; Y137-V204 HydrophobicContact CE2-CG1 3.13Å; Y137-V204 HydrophobicContact CG-CG1 4.02Å; Y137-V204 PolarHBondContact OH-O 3.12Å; Y137-V204 VanDerWaalsContact OH-O 3.05Å; Y137-R208 WeakPolarHBondContact OH-CD 3.47Å; Y137-R208 PolarHBondContact OH-NH1 3.47Å
138D82.2Confident84.6Confident39 Ų3950.4 Ų50.421%0.20927%0.272CS..  trans-123.5117.6176.1-171.3-27.5000110.7H136 T140 K141 H160H136-D138 PolarHBondContact O-N 2.95Å; D138-T140 VanDerWaalsContact CG-OG1 3.25Å; D138-T140 PolarHBondContact O-N 3.1Å; D138-T140 WeakPolarHBondContact OD1-CB 3.4Å; D138-T140 PolarHBondContact OD1-N 3.14Å; D138-T140 PolarHBondContact OD1-OG1 3.32Å; D138-T140 PolarHBondContact OD2-OG1 2.95Å; D138-K141 HydrophobicContact CB-CB 4.24Å; D138-K141 HydrophobicContact CB-CD 4.01Å; D138-K141 HydrophobicContact CB-CG 3.9Å; D138-K141 PolarHBondContact O-N 3.26Å; D138-K141 IonicContact OD2-NZ 2.59Å; D138-K141 PolarHBondContact OD2-NZ 3.25Å; D138-H160 PolarHBondContact N-NE2 2.99Å; D138-H160 PolarHBondContact O-CE1 2.89Å; D138-H160 PolarHBondContact O-NE2 2.98Å
139P75.9Confident84.9Confident50 Ų5048.6 Ų48.633%0.32526%0.26SS..THydrogen-bonded Turntrans-67.4-5.8179.929.6-35.9000114.7Y137 R208Y137-P139 HydrophobicContact CE1-CB 4.41Å; P139-R208 VanDerWaalsContact CA-NH1 3.27Å; P139-R208 PolarHBondContact O-NH1 3.45Å; P139-R208 PolarHBondContact O-NH2 2.97Å
140T80.6Confident85.1Confident118 Ų11845.6 Ų45.672%0.72425%0.248SC*.THydrogen-bonded Turntrans-99.5-14.3178.5670000113D138D138-T140 VanDerWaalsContact CG-OG1 3.25Å; D138-T140 PolarHBondContact O-N 3.1Å; D138-T140 WeakPolarHBondContact OD1-CB 3.4Å; D138-T140 PolarHBondContact OD1-N 3.14Å; D138-T140 PolarHBondContact OD1-OG1 3.32Å; D138-T140 PolarHBondContact OD2-OG1 2.95Å
141K85.6Confident85.3Confident66 Ų6646.1 Ų46.129%0.28724%0.243SC..SBendtrans-90.7155.8-178.8-66-169.9175.779.40111.6D138 H160 F162 R208D138-K141 HydrophobicContact CB-CB 4.24Å; D138-K141 HydrophobicContact CB-CD 4.01Å; D138-K141 HydrophobicContact CB-CG 3.9Å; D138-K141 PolarHBondContact O-N 3.26Å; D138-K141 IonicContact OD2-NZ 2.59Å; D138-K141 PolarHBondContact OD2-NZ 3.25Å; K141-H160 HydrophobicContact CB-CB 4.43Å; K141-H160 WeakPolarHBondContact CB-ND1 3.34Å; K141-F162 HydrophobicContact CD-CD1 3.97Å; K141-F162 HydrophobicContact CD-CE1 3.65Å; K141-F162 HydrophobicContact CD-CZ 4.05Å; K141-R208 PolarHBondContact O-NH2 3.5Å; K141-R208 VanDerWaalsContact O-NH2 3.12Å
142E88.3Confident85.4Confident94 Ų9446.7 Ų46.744%0.43924%0.239SC..EExtended strand (participates in β ladder)trans-63.6140.4173.9-174.2175.2170.100110H160 R161E142-H160 WeakPolarHBondContact O-CA 2.8Å; E142-H160 PolarHBondContact O-ND1 2.77Å; E142-R161 HydrophobicContact CB-CB 4.37Å; E142-R161 PolarHBondContact O-N 3.19Å
143I86.8Confident85.5Confident0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.3128.6177.7-60.1174.8000108.8Y137 V145 I158 I205 R208 F210 T211Y137-I143 HydrophobicContact CE2-CD1 3.96Å; Y137-I143 HydrophobicContact CE2-CG1 4.45Å; I143-V145 HydrophobicContact CG2-CG2 4.2Å; I143-I158 HydrophobicContact CG2-CD1 3.7Å; I143-I158 HydrophobicContact CG2-CG1 3.73Å; I143-I205 HydrophobicContact CD1-CG2 4.48Å; I143-I205 HydrophobicContact CG2-CG2 4.08Å; I143-R208 VanDerWaalsContact CD1-NH1 3.31Å; I143-F210 HydrophobicContact CB-CB 3.84Å; I143-F210 HydrophobicContact CG2-CB 3.87Å; I143-F210 WeakPolarHBondContact O-CA 3.3Å; I143-F210 WeakPolarHBondContact O-CB 3.41Å; I143-T211 PolarHBondContact O-N 3.28Å
144T89.9Confident85.5Confident2 Ų243.1 Ų43.11%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-115.7136.3168.6-54.70000108.9I158 M159 T211 L213T144-I158 CarbonylContact O-C 3.55Å; T144-I158 WeakPolarHBondContact O-CA 3.46Å; T144-M159 HydrophobicContact CG2-CE 4.08Å; T144-M159 PolarHBondContact N-O 3.45Å; T144-M159 PolarHBondContact O-N 3.46Å; T144-T211 CarbonylContact C-O 3.28Å; T144-T211 WeakPolarHBondContact CA-O 3.46Å; T144-L213 HydrophobicContact CG2-CD1 3.32Å; T144-L213 HydrophobicContact CG2-CG 3.52Å
145V90Very high85.3Confident0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-120.1127.9172.5179.50000107.5I143 V157 I158 A197 F201 I205 F210 T211 L212 L213I143-V145 HydrophobicContact CG2-CG2 4.2Å; V145-V157 WeakPolarHBondContact CA-O 3.02Å; V145-I158 HydrophobicContact CG2-CB 4.33Å; V145-I158 HydrophobicContact CG2-CD1 4.24Å; V145-I158 HydrophobicContact CG2-CG1 4.07Å; V145-A197 HydrophobicContact CG1-CB 3.76Å; V145-F201 HydrophobicContact CG1-CD2 4.02Å; V145-F201 HydrophobicContact CG1-CE2 4.36Å; V145-I205 HydrophobicContact CG2-CG2 4.09Å; V145-F210 HydrophobicContact CB-CD2 4.37Å; V145-F210 HydrophobicContact CG2-CD2 3.96Å; V145-F210 HydrophobicContact CG2-CE2 4.38Å; V145-T211 PolarHBondContact N-O 2.88Å; V145-L212 HydrophobicContact CB-CD1 3.95Å; V145-L212 HydrophobicContact CG1-CD1 3.87Å; V145-L212 CarbonylContact O-C 3.54Å; V145-L212 WeakPolarHBondContact O-CA 3.46Å; V145-L213 PolarHBondContact O-N 2.91Å
146T88.6Confident85.3Confident38 Ų3842.5 Ų42.523%0.23322%0.218CC..EExtended strand (participates in β ladder)trans-118141.7173.5-52.50000108.2A156 V157 M159 L213T146-A156 CarbonylContact O-C 3.49Å; T146-A156 VanDerWaalsContact O-CA 3.26Å; T146-A156 WeakPolarHBondContact O-CA 3.24Å; T146-V157 PolarHBondContact N-O 2.82Å; T146-V157 PolarHBondContact O-N 2.77Å; T146-M159 VanDerWaalsContact OG1-CE 3.3Å; T146-M159 WeakPolarHBondContact OG1-CE 3.4Å; T146-L213 HydrophobicContact CG2-CB 4.28Å
147A87.6Confident85.4Confident5 Ų539.6 Ų39.64%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-134140.7173.400000110G155 A156 A193 L194 A197A147-G155 WeakPolarHBondContact CA-O 3.34Å; A147-A156 HydrophobicContact CB-CB 4.34Å; A147-A193 HydrophobicContact CB-CB 3.95Å; A147-A193 WeakPolarHBondContact CB-O 3.38Å; A147-L194 HydrophobicContact CB-CD2 3.85Å; A147-A197 HydrophobicContact CB-CB 3.87Å
148D84.5Confident85.6Confident67 Ų6735.4 Ų35.436%0.35819%0.188SC..EExtended strand (participates in β ladder)trans-132.4163.9177.864.2-17.6000110G155 A193D148-G155 PolarHBondContact N-O 3.12Å; D148-G155 PolarHBondContact O-N 2.92Å; D148-G155 WeakPolarHBondContact OD1-CA 3.03Å; D148-G155 PolarHBondContact OD1-N 3.16Å; D148-G155 VanDerWaalsContact OD1-O 3.11Å; D148-A193 WeakPolarHBondContact O-CB 3.46Å
149T85.4Confident86.1Confident23 Ų2334.7 Ų34.714%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-139.8140.8-179.8-163.60000110.3G153 K189 E190T149-G153 PolarHBondContact OG1-O 2.83Å; T149-K189 HydrophobicContact CG2-CB 3.68Å; T149-E190 HydrophobicContact CG2-CB 4.42Å; T149-E190 HydrophobicContact CG2-CG 3.59Å
150S84.2Confident86.8Confident21 Ų2132.3 Ų32.315%0.14717%0.169CC..  trans-115.7176.6170.575.80000109.6Y152 G153S150-Y152 PolarHBondContact O-N 3.1Å; S150-Y152 VanDerWaalsContact O-N 3.12Å; S150-Y152 PolarHBondContact OG-N 3.4Å; S150-G153 PolarHBondContact N-O 3.03Å; S150-G153 PolarHBondContact OG-N 3.14Å
151I80.3Confident87.2Confident98 Ų9832.5 Ų32.550%0.50316%0.156SC..SBendtrans-62.1-20.1176.160.1172.8000113.1
152Y80.6Confident87.2Confident104 Ų10431.3 Ų31.341%0.40815%0.151SC..SBendtrans-107.9-22.7-174.7-58.5-61.5000114.2A99 S150 L177A99-Y152 HydrophobicContact CB-CD1 3.97Å; A99-Y152 HydrophobicContact CB-CD2 3.74Å; A99-Y152 HydrophobicContact CB-CE2 4.34Å; A99-Y152 HydrophobicContact CB-CG 3.52Å; S150-Y152 PolarHBondContact O-N 3.1Å; S150-Y152 VanDerWaalsContact O-N 3.12Å; S150-Y152 PolarHBondContact OG-N 3.4Å; Y152-L177 PolarHBondContact O-N 2.72Å
153G85.7Confident87Confident1 Ų132.5 Ų32.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-162.8169.6-163.700000113.4T149 S150 G175T149-G153 PolarHBondContact OG1-O 2.83Å; S150-G153 PolarHBondContact N-O 3.03Å; S150-G153 PolarHBondContact OG-N 3.14Å; G153-G175 CarbonylContact C-O 3.49Å; G153-G175 WeakPolarHBondContact CA-O 3.46Å
154V87.4Confident87Confident6 Ų637.8 Ų37.84%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-111.1145.5167.7-66.30000108.9S95 S174 G175 L177 A193 F196S95-V154 PolarHBondContact OG-O 3.44Å; V154-S174 WeakPolarHBondContact O-CA 3.13Å; V154-G175 PolarHBondContact N-O 3.21Å; V154-G175 PolarHBondContact O-N 2.78Å; V154-L177 HydrophobicContact CG1-CD2 3.8Å; V154-L177 HydrophobicContact CG1-CG 4.42Å; V154-A193 HydrophobicContact CB-CB 4.03Å; V154-A193 HydrophobicContact CG1-CB 3.77Å; V154-F196 HydrophobicContact CB-CD1 4.27Å; V154-F196 HydrophobicContact CG2-CB 4.08Å; V154-F196 HydrophobicContact CG2-CD1 3.57Å; V154-F196 HydrophobicContact CG2-CD2 4.04Å; V154-F196 HydrophobicContact CG2-CE1 3.97Å; V154-F196 HydrophobicContact CG2-CE2 4.4Å; V154-F196 HydrophobicContact CG2-CG 3.61Å; V154-F196 HydrophobicContact CG2-CZ 4.37Å
155G86.3Confident86.7Confident2 Ų239.7 Ų39.72%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-121.8151.4170.800000109.8A147 D148 A173A147-G155 WeakPolarHBondContact CA-O 3.34Å; D148-G155 PolarHBondContact N-O 3.12Å; D148-G155 PolarHBondContact O-N 2.92Å; D148-G155 WeakPolarHBondContact OD1-CA 3.03Å; D148-G155 PolarHBondContact OD1-N 3.16Å; D148-G155 VanDerWaalsContact OD1-O 3.11Å; G155-A173 CarbonylContact C-O 3.59Å; G155-A173 WeakPolarHBondContact CA-O 3.45Å
156A88.6Confident86.5Confident0 Ų042.4 Ų42.40%024%0.241CC..EExtended strand (participates in β ladder)trans-149.6148.8172.100000110.4T146 A147 H172 A173 F196 A197 F201T146-A156 CarbonylContact O-C 3.49Å; T146-A156 VanDerWaalsContact O-CA 3.26Å; T146-A156 WeakPolarHBondContact O-CA 3.24Å; A147-A156 HydrophobicContact CB-CB 4.34Å; A156-H172 CarbonylContact O-C 3.54Å; A156-H172 WeakPolarHBondContact O-CA 3.47Å; A156-A173 HydrophobicContact CB-CB 4.42Å; A156-A173 PolarHBondContact N-O 3.4Å; A156-A173 PolarHBondContact O-N 2.71Å; A156-F196 HydrophobicContact CB-CD1 4.22Å; A156-F196 HydrophobicContact CB-CE1 4.23Å; A156-A197 HydrophobicContact CB-CB 3.5Å; A156-A197 VanDerWaalsContact CB-CB 3.5Å; A156-F201 HydrophobicContact CB-CE2 3.66Å; A156-F201 HydrophobicContact CB-CZ 4.15Å
157V89.5Confident86.6Confident10 Ų1044.5 Ų44.56%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-135.7136.5173.860.70000109.3L92 V145 T146 M159 A169 H172L92-V157 HydrophobicContact CD1-CB 4.27Å; V145-V157 WeakPolarHBondContact CA-O 3.02Å; T146-V157 PolarHBondContact N-O 2.82Å; T146-V157 PolarHBondContact O-N 2.77Å; V157-M159 HydrophobicContact CG1-CE 4.16Å; V157-M159 HydrophobicContact CG1-CG 4.22Å; V157-M159 HydrophobicContact CG1-SD 4.02Å; V157-M159 HydrophobicContact CG2-CG 3.65Å; V157-M159 HydrophobicContact CG2-SD 4.22Å; V157-A169 HydrophobicContact CG2-CB 3.79Å; V157-H172 VanDerWaalsContact CG2-CE1 3.4Å; V157-H172 WeakPolarHBondContact CG2-CE1 3.37Å; V157-H172 WeakPolarHBondContact CG2-ND1 3.24Å
158I89.7Confident86.7Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-106.1130.9168.5-178.2167.4000108.5I143 T144 V145 I170 C171 F201 V204 I205I143-I158 HydrophobicContact CG2-CD1 3.7Å; I143-I158 HydrophobicContact CG2-CG1 3.73Å; T144-I158 CarbonylContact O-C 3.55Å; T144-I158 WeakPolarHBondContact O-CA 3.46Å; V145-I158 HydrophobicContact CG2-CB 4.33Å; V145-I158 HydrophobicContact CG2-CD1 4.24Å; V145-I158 HydrophobicContact CG2-CG1 4.07Å; I158-I170 HydrophobicContact CG1-CD1 3.96Å; I158-I170 HydrophobicContact CG2-CB 4.19Å; I158-I170 PolarHBondContact O-N 3.28Å; I158-C171 HydrophobicContact CG2-CB 3.77Å; I158-C171 WeakPolarHBondContact CG2-O 3.48Å; I158-C171 PolarHBondContact N-O 2.94Å; I158-C171 PolarHBondContact O-N 2.97Å; I158-F201 HydrophobicContact CB-CD1 4.21Å; I158-F201 HydrophobicContact CB-CD2 3.82Å; I158-F201 HydrophobicContact CB-CE1 4.36Å; I158-F201 HydrophobicContact CB-CE2 3.95Å; I158-F201 HydrophobicContact CB-CG 3.95Å; I158-F201 HydrophobicContact CB-CZ 4.23Å; I158-F201 HydrophobicContact CD1-CB 4.05Å; I158-F201 HydrophobicContact CD1-CG 4.34Å; I158-F201 HydrophobicContact CG2-CD1 3.59Å; I158-F201 HydrophobicContact CG2-CD2 4.11Å; I158-F201 HydrophobicContact CG2-CE1 3.61Å; I158-F201 HydrophobicContact CG2-CE2 4.1Å; I158-F201 HydrophobicContact CG2-CG 3.86Å; I158-F201 HydrophobicContact CG2-CZ 3.86Å; I158-V204 HydrophobicContact CD1-CB 3.91Å; I158-V204 HydrophobicContact CD1-CG1 3.63Å; I158-I205 HydrophobicContact CD1-CG2 3.5Å
159M92.2Very high86.9Confident24 Ų2446.8 Ų46.812%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-132153.5-170.6-55.2-179.5-71.200110.8T144 T146 V157 E167 K168 A169T144-M159 HydrophobicContact CG2-CE 4.08Å; T144-M159 PolarHBondContact N-O 3.45Å; T144-M159 PolarHBondContact O-N 3.46Å; T146-M159 VanDerWaalsContact OG1-CE 3.3Å; T146-M159 WeakPolarHBondContact OG1-CE 3.4Å; V157-M159 HydrophobicContact CG1-CE 4.16Å; V157-M159 HydrophobicContact CG1-CG 4.22Å; V157-M159 HydrophobicContact CG1-SD 4.02Å; V157-M159 HydrophobicContact CG2-CG 3.65Å; V157-M159 HydrophobicContact CG2-SD 4.22Å; M159-E167 WeakPolarHBondContact CE-OE2 3.35Å; M159-E167 HydrophobicContact SD-CB 4.44Å; M159-K168 CarbonylContact C-O 3.59Å; M159-K168 VanDerWaalsContact CA-O 3.24Å; M159-K168 WeakPolarHBondContact CA-O 3.39Å; M159-A169 HydrophobicContact CG-CB 4.47Å
160H91.1Very high87.1Confident0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-97.3135.1161.4-82.2-45.9000110.3T135 Y137 D138 K141 E142 F162 E167 K168 I170T135-H160 HydrophobicContact CG2-CB 4.47Å; Y137-H160 AromaticContact CD2-CE1 3.93Å; Y137-H160 AromaticContact CD2-NE2 3.55Å; D138-H160 PolarHBondContact N-NE2 2.99Å; D138-H160 PolarHBondContact O-CE1 2.89Å; D138-H160 PolarHBondContact O-NE2 2.98Å; K141-H160 HydrophobicContact CB-CB 4.43Å; K141-H160 WeakPolarHBondContact CB-ND1 3.34Å; E142-H160 WeakPolarHBondContact O-CA 2.8Å; E142-H160 PolarHBondContact O-ND1 2.77Å; H160-F162 HydrophobicContact CB-CD2 4.2Å; H160-F162 HydrophobicContact CB-CE2 3.61Å; H160-F162 HydrophobicContact CB-CZ 4.15Å; H160-E167 WeakPolarHBondContact O-CA 3.23Å; H160-K168 PolarHBondContact N-O 3.14Å; H160-K168 PolarHBondContact O-N 2.89Å; H160-I170 VanDerWaalsContact CD2-CD1 3.45Å; H160-I170 WeakPolarHBondContact CD2-CD1 3.38Å; H160-I170 WeakPolarHBondContact NE2-CD1 3.12Å
161R88.2Confident87.2Confident122 Ų12246.8 Ų46.846%0.4626%0.257SS..EExtended strand (participates in β ladder)trans-92122.8163.1-167.5173.8-173166.36109E142 E167E142-R161 HydrophobicContact CB-CB 4.37Å; E142-R161 PolarHBondContact O-N 3.19Å; R161-E167 HydrophobicContact CB-CG 4.5Å; R161-E167 HydrophobicContact CG-CG 4.32Å
162F86.7Confident87.6Confident41 Ų4143.2 Ų43.218%0.1824%0.238CC..PPolyproline II helixtrans-92.9162.6-179.7-71.3-101.6000110.7K141 H160 D164 G165 T166 K168K141-F162 HydrophobicContact CD-CD1 3.97Å; K141-F162 HydrophobicContact CD-CE1 3.65Å; K141-F162 HydrophobicContact CD-CZ 4.05Å; H160-F162 HydrophobicContact CB-CD2 4.2Å; H160-F162 HydrophobicContact CB-CE2 3.61Å; H160-F162 HydrophobicContact CB-CZ 4.15Å; F162-D164 WeakPolarHBondContact CB-OD1 3.48Å; F162-D164 PolarHBondContact O-N 3.23Å; F162-G165 WeakPolarHBondContact O-CA 3.49Å; F162-G165 PolarHBondContact O-N 3.32Å; F162-T166 PolarHBondContact N-O 2.74Å; F162-K168 HydrophobicContact CD2-CB 4.46Å; F162-K168 HydrophobicContact CD2-CD 4.13Å; F162-K168 HydrophobicContact CD2-CG 4.01Å; F162-K168 HydrophobicContact CE2-CB 3.76Å; F162-K168 HydrophobicContact CE2-CD 3.63Å; F162-K168 HydrophobicContact CE2-CG 3.67Å; F162-K168 HydrophobicContact CZ-CD 4.01Å; F162-K168 HydrophobicContact CZ-CG 4.5Å
163A83.9Confident87.7Confident118 Ų11838.8 Ų38.898%0.97522%0.223SC*.THydrogen-bonded Turntrans-63.8-22.9-177.900000113.4G165A163-G165 PolarHBondContact O-N 2.84Å
164D87.1Confident87.7Confident112 Ų11240.3 Ų40.360%0.59923%0.234SC*.THydrogen-bonded Turntrans-77-0.5172.661.62.5000113.2F162 T166F162-D164 WeakPolarHBondContact CB-OD1 3.48Å; F162-D164 PolarHBondContact O-N 3.23Å; D164-T166 VanDerWaalsContact C-N 3.29Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.41Å; D164-T166 PolarHBondContact OD1-N 3.33Å; D164-T166 PolarHBondContact OD1-OG1 2.84Å; D164-T166 PolarHBondContact OD2-OG1 2.79Å
165G82.9Confident87.5Confident41 Ų4140.8 Ų40.842%0.42324%0.24SC..SBendtrans85.2-5.1-177.500000114.3F162 A163F162-G165 WeakPolarHBondContact O-CA 3.49Å; F162-G165 PolarHBondContact O-N 3.32Å; A163-G165 PolarHBondContact O-N 2.84Å
166T87.3Confident87.4Confident57 Ų5743.8 Ų43.835%0.3526%0.258SS..  trans-73.3143.6178.9650000111.3F162 D164F162-T166 PolarHBondContact N-O 2.74Å; D164-T166 VanDerWaalsContact C-N 3.29Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.41Å; D164-T166 PolarHBondContact OD1-N 3.33Å; D164-T166 PolarHBondContact OD1-OG1 2.84Å; D164-T166 PolarHBondContact OD2-OG1 2.79Å
167E89Confident87.2Confident83 Ų8344.1 Ų44.139%0.38826%0.259SS..EExtended strand (participates in β ladder)trans-106.2132.4172-61.7-166.5158.200109.6M159 H160 R161M159-E167 WeakPolarHBondContact CE-OE2 3.35Å; M159-E167 HydrophobicContact SD-CB 4.44Å; H160-E167 WeakPolarHBondContact O-CA 3.23Å; R161-E167 HydrophobicContact CB-CG 4.5Å; R161-E167 HydrophobicContact CG-CG 4.32Å
168K90.2Very high86.9Confident100 Ų10047.1 Ų47.144%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-129.8132.4177-50.8-177.7-179.2175.70110.6T135 M159 H160 F162T135-K168 HydrophobicContact CG2-CB 3.79Å; T135-K168 WeakPolarHBondContact CG2-O 3.41Å; M159-K168 CarbonylContact C-O 3.59Å; M159-K168 VanDerWaalsContact CA-O 3.24Å; M159-K168 WeakPolarHBondContact CA-O 3.39Å; H160-K168 PolarHBondContact N-O 3.14Å; H160-K168 PolarHBondContact O-N 2.89Å; F162-K168 HydrophobicContact CD2-CB 4.46Å; F162-K168 HydrophobicContact CD2-CD 4.13Å; F162-K168 HydrophobicContact CD2-CG 4.01Å; F162-K168 HydrophobicContact CE2-CB 3.76Å; F162-K168 HydrophobicContact CE2-CD 3.63Å; F162-K168 HydrophobicContact CE2-CG 3.67Å; F162-K168 HydrophobicContact CZ-CD 4.01Å; F162-K168 HydrophobicContact CZ-CG 4.5Å
169A89.8Confident86.5Confident19 Ų1951.9 Ų51.916%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-70.4131.2-17900000111.7L134 T135 V157 M159 H172L134-A169 CarbonylContact C-O 3.4Å; L134-A169 VanDerWaalsContact CA-O 3.23Å; L134-A169 WeakPolarHBondContact CA-O 3.49Å; L134-A169 HydrophobicContact CD2-CB 3.82Å; T135-A169 WeakPolarHBondContact CG2-O 3.45Å; T135-A169 PolarHBondContact N-O 2.82Å; V157-A169 HydrophobicContact CG2-CB 3.79Å; M159-A169 HydrophobicContact CG-CB 4.47Å; A169-H172 WeakPolarHBondContact CB-NE2 3.4Å
170I88.3Confident86.1Confident13 Ų1353.5 Ų53.57%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-89.3-40.1171.7-61.1148.9000109.6T135 Y137 I158 H160T135-I170 HydrophobicContact CG2-CG1 3.71Å; Y137-I170 HydrophobicContact CD2-CD1 4.18Å; I158-I170 HydrophobicContact CG1-CD1 3.96Å; I158-I170 HydrophobicContact CG2-CB 4.19Å; I158-I170 PolarHBondContact O-N 3.28Å; H160-I170 VanDerWaalsContact CD2-CD1 3.45Å; H160-I170 WeakPolarHBondContact CD2-CD1 3.38Å; H160-I170 WeakPolarHBondContact NE2-CD1 3.12Å
171C86.9Confident85.8Confident31 Ų3155.7 Ų55.721%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-162.8139.5-177.5-163.90000110.8I158 F201I158-C171 HydrophobicContact CG2-CB 3.77Å; I158-C171 WeakPolarHBondContact CG2-O 3.48Å; I158-C171 PolarHBondContact N-O 2.94Å; I158-C171 PolarHBondContact O-N 2.97Å; C171-F201 HydrophobicContact CB-CE1 4.15Å
172H87.7Confident85.7Confident23 Ų2353 Ų5311%0.10632%0.324CS..EExtended strand (participates in β ladder)trans-97.8154.6165.4-57.6-84.4000110.6A89 A156 V157 A169A89-H172 WeakPolarHBondContact CA-O 3.48Å; A89-H172 WeakPolarHBondContact O-CB 3.19Å; A89-H172 PolarHBondContact O-CD2 3.22Å; A89-H172 PolarHBondContact O-N 3.36Å; A156-H172 CarbonylContact O-C 3.54Å; A156-H172 WeakPolarHBondContact O-CA 3.47Å; V157-H172 VanDerWaalsContact CG2-CE1 3.4Å; V157-H172 WeakPolarHBondContact CG2-CE1 3.37Å; V157-H172 WeakPolarHBondContact CG2-ND1 3.24Å; A169-H172 WeakPolarHBondContact CB-NE2 3.4Å
173A83.2Confident85.8Confident11 Ų1159.7 Ų59.79%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-138.2142.4172.100000109.3G155 A156 F196 T200 F201G155-A173 CarbonylContact C-O 3.59Å; G155-A173 WeakPolarHBondContact CA-O 3.45Å; A156-A173 HydrophobicContact CB-CB 4.42Å; A156-A173 PolarHBondContact N-O 3.4Å; A156-A173 PolarHBondContact O-N 2.71Å; A173-F196 HydrophobicContact CB-CE1 3.85Å; A173-F196 HydrophobicContact CB-CZ 4Å; A173-T200 HydrophobicContact CB-CG2 3.64Å; A173-F201 HydrophobicContact CB-CE1 3.92Å; A173-F201 HydrophobicContact CB-CZ 3.64Å
174S85.9Confident85.9Confident34 Ų3458.8 Ų58.824%0.23833%0.325CS..EExtended strand (participates in β ladder)trans-136.7135.1176.670.50000109.9V154V154-S174 WeakPolarHBondContact O-CA 3.13Å
175G83.7Confident85.8Confident15 Ų1556.2 Ų56.216%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-123142.2174.500000110.7S95 G153 V154S95-G175 WeakPolarHBondContact CB-O 3.21Å; S95-G175 PolarHBondContact OG-O 2.9Å; G153-G175 CarbonylContact C-O 3.49Å; G153-G175 WeakPolarHBondContact CA-O 3.46Å; V154-G175 PolarHBondContact N-O 3.21Å; V154-G175 PolarHBondContact O-N 2.78Å
176T84.6Confident85.8Confident66 Ų6658.6 Ų58.641%0.40532%0.315SS..EExtended strand (participates in β ladder)trans-90.4130.4170.4-56.90000109
177L83.9Confident85.5Confident6 Ų659.3 Ų59.33%0.03132%0.317CS..PPolyproline II helixtrans-72.3139.8176.8-68.1-179.4000110.7Y152 V154 E181 Q182 K189 L192Y152-L177 PolarHBondContact O-N 2.72Å; V154-L177 HydrophobicContact CG1-CD2 3.8Å; V154-L177 HydrophobicContact CG1-CG 4.42Å; L177-E181 HydrophobicContact CB-CB 4.1Å; L177-E181 HydrophobicContact CD2-CB 3.86Å; L177-E181 HydrophobicContact CG-CB 4.41Å; L177-Q182 HydrophobicContact CB-CG 3.75Å; L177-Q182 PolarHBondContact O-NE2 3.33Å; L177-K189 HydrophobicContact CD1-CD 4.24Å; L177-K189 HydrophobicContact CD1-CG 4.37Å; L177-L192 HydrophobicContact CD2-CD2 3.57Å
178T82.7Confident85.2Confident74 Ų7460.3 Ų60.345%0.45432%0.321SS..PPolyproline II helixtrans-66.616216964.40000111A180 E181 Q182T178-A180 PolarHBondContact O-N 3.41Å; T178-A180 VanDerWaalsContact O-N 3.07Å; T178-E181 VanDerWaalsContact CB-OE2 3.3Å; T178-E181 WeakPolarHBondContact CB-OE2 3.19Å; T178-E181 VanDerWaalsContact CG2-OE2 3.28Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.33Å; T178-E181 PolarHBondContact N-OE2 3.11Å; T178-E181 PolarHBondContact O-N 3.01Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 VanDerWaalsContact OG1-CG 3.27Å; T178-E181 WeakPolarHBondContact OG1-CG 3.26Å; T178-E181 PolarHBondContact OG1-N 3.36Å; T178-E181 PolarHBondContact OG1-OE2 2.84Å; T178-Q182 VanDerWaalsContact O-CG 3.29Å; T178-Q182 WeakPolarHBondContact O-CG 3.04Å; T178-Q182 PolarHBondContact O-N 3.07Å
179N81.8Confident84.9Confident99 Ų9956.3 Ų56.353%0.52930%0.304SS..THydrogen-bonded Turntrans-59.4-23.4177.9-64.5-3.5000113.2
180A83.2Confident84.6Confident58 Ų5856 Ų5648%0.47930%0.299SS..THydrogen-bonded Turntrans-78.2-48.8175.200000110.8T178 Q182 K183T178-A180 PolarHBondContact O-N 3.41Å; T178-A180 VanDerWaalsContact O-N 3.07Å; A180-Q182 VanDerWaalsContact C-N 3.28Å; A180-Q182 PolarHBondContact O-N 3.38Å; A180-K183 WeakPolarHBondContact O-CB 3.41Å; A180-K183 PolarHBondContact O-N 2.79Å
181E84.9Confident84.3Confident46 Ų4656.5 Ų56.522%0.21531%0.306CS..G310 helixtrans-66-29.3179.1-63.7158.6147.300112.5L177 T178 K183 Y184 K189 L192L177-E181 HydrophobicContact CB-CB 4.1Å; L177-E181 HydrophobicContact CD2-CB 3.86Å; L177-E181 HydrophobicContact CG-CB 4.41Å; T178-E181 VanDerWaalsContact CB-OE2 3.3Å; T178-E181 WeakPolarHBondContact CB-OE2 3.19Å; T178-E181 VanDerWaalsContact CG2-OE2 3.28Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.33Å; T178-E181 PolarHBondContact N-OE2 3.11Å; T178-E181 PolarHBondContact O-N 3.01Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 VanDerWaalsContact OG1-CG 3.27Å; T178-E181 WeakPolarHBondContact OG1-CG 3.26Å; T178-E181 PolarHBondContact OG1-N 3.36Å; T178-E181 PolarHBondContact OG1-OE2 2.84Å; E181-K183 PolarHBondContact O-N 3.1Å; E181-Y184 HydrophobicContact CB-CD2 4.08Å; E181-Y184 HydrophobicContact CB-CE2 3.97Å; E181-Y184 HydrophobicContact CG-CD2 4.28Å; E181-Y184 HydrophobicContact CG-CE2 3.66Å; E181-Y184 VanDerWaalsContact O-CB 3.25Å; E181-Y184 WeakPolarHBondContact O-CB 3.36Å; E181-Y184 PolarHBondContact O-N 3.23Å; E181-Y184 VanDerWaalsContact O-N 3.08Å; E181-K189 VanDerWaalsContact O-CE 3.25Å; E181-K189 WeakPolarHBondContact O-CE 3.23Å; E181-L192 HydrophobicContact CB-CD2 4Å; E181-L192 HydrophobicContact CG-CD2 3.83Å
182Q85.7Confident84.1Confident66 Ų6657 Ų5731%0.30831%0.306SS..G310 helixtrans-60.8-23.8172.8-73.9177.319.700113.1L177 T178 A180 K189L177-Q182 HydrophobicContact CB-CG 3.75Å; L177-Q182 PolarHBondContact O-NE2 3.33Å; T178-Q182 VanDerWaalsContact O-CG 3.29Å; T178-Q182 WeakPolarHBondContact O-CG 3.04Å; T178-Q182 PolarHBondContact O-N 3.07Å; A180-Q182 VanDerWaalsContact C-N 3.28Å; A180-Q182 PolarHBondContact O-N 3.38Å; Q182-K189 WeakPolarHBondContact O-CE 3.32Å; Q182-K189 PolarHBondContact O-NZ 3.05Å
183K88.7Confident84Confident181 Ų18156 Ų5679%0.78730%0.301SS*.G310 helixtrans-89.2-6.4178.4-61.4175.9-176.9-178.10113.5A180 E181A180-K183 WeakPolarHBondContact O-CB 3.41Å; A180-K183 PolarHBondContact O-N 2.79Å; E181-K183 PolarHBondContact O-N 3.1Å
184Y86.8Confident84.1Confident99 Ų9955.7 Ų55.739%0.38830%0.298SS..SBendtrans-60.7150.2175.3-68.7-6000110.5E181 E188 K189 L192E181-Y184 HydrophobicContact CB-CD2 4.08Å; E181-Y184 HydrophobicContact CB-CE2 3.97Å; E181-Y184 HydrophobicContact CG-CD2 4.28Å; E181-Y184 HydrophobicContact CG-CE2 3.66Å; E181-Y184 VanDerWaalsContact O-CB 3.25Å; E181-Y184 WeakPolarHBondContact O-CB 3.36Å; E181-Y184 PolarHBondContact O-N 3.23Å; E181-Y184 VanDerWaalsContact O-N 3.08Å; Y184-E188 HydrophobicContact CD2-CB 4.33Å; Y184-E188 HydrophobicContact CG-CB 4.26Å; Y184-K189 WeakPolarHBondContact O-CE 3.41Å; Y184-L192 HydrophobicContact CD2-CD2 4.31Å; Y184-L192 HydrophobicContact CE2-CD2 4.27Å
185S85.2Confident84Confident58 Ų5855.7 Ų55.741%0.40630%0.297SS..  trans-60.4159.3168.766.10000110.3I187 E188 K189S185-I187 PolarHBondContact O-N 2.84Å; S185-E188 WeakPolarHBondContact CB-OE2 3.42Å; S185-E188 PolarHBondContact N-OE2 3.43Å; S185-E188 PolarHBondContact O-N 3.27Å; S185-E188 VanDerWaalsContact OG-CD 3.25Å; S185-E188 VanDerWaalsContact OG-CG 3.27Å; S185-E188 WeakPolarHBondContact OG-CG 3.3Å; S185-E188 PolarHBondContact OG-N 2.86Å; S185-E188 PolarHBondContact OG-OE2 2.78Å; S185-K189 WeakPolarHBondContact O-CG 3.26Å; S185-K189 PolarHBondContact O-N 3.46Å
186Q81.6Confident83.9Confident91 Ų9157.3 Ų57.343%0.42530%0.3SS..Hα-helixtrans-55.7-42.7-179.4-175.960.521.600111.9E188 K189 E190Q186-E188 PolarHBondContact O-N 3.5Å; Q186-K189 WeakPolarHBondContact O-CB 3.45Å; Q186-K189 PolarHBondContact O-N 3.44Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.39Å; Q186-E190 PolarHBondContact NE2-OE1 3.29Å; Q186-E190 WeakPolarHBondContact O-CG 3.43Å; Q186-E190 PolarHBondContact O-N 2.78Å
187I82.3Confident84Confident73 Ų7354.2 Ų54.237%0.37428%0.28SS..Hα-helixtrans-62-44.6179.1-46.6-169.8000111.5S185 K189 E190 A191 L219S185-I187 PolarHBondContact O-N 2.84Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 2.88Å; I187-E190 PolarHBondContact O-N 3.39Å; I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 2.9Å; I187-L219 HydrophobicContact CG2-CD2 4.08Å
188E82.3Confident83.9Confident104 Ų10455 Ų5549%0.48629%0.286SS..Hα-helixtrans-65.3-37.2177.8-73.7167.1135.900111.6Y184 S185 Q186 L192Y184-E188 HydrophobicContact CD2-CB 4.33Å; Y184-E188 HydrophobicContact CG-CB 4.26Å; S185-E188 WeakPolarHBondContact CB-OE2 3.42Å; S185-E188 PolarHBondContact N-OE2 3.43Å; S185-E188 PolarHBondContact O-N 3.27Å; S185-E188 VanDerWaalsContact OG-CD 3.25Å; S185-E188 VanDerWaalsContact OG-CG 3.27Å; S185-E188 WeakPolarHBondContact OG-CG 3.3Å; S185-E188 PolarHBondContact OG-N 2.86Å; S185-E188 PolarHBondContact OG-OE2 2.78Å; Q186-E188 PolarHBondContact O-N 3.5Å; E188-L192 VanDerWaalsContact O-CB 3.29Å; E188-L192 WeakPolarHBondContact O-CB 3.32Å; E188-L192 PolarHBondContact O-N 3Å
189K84.1Confident83.8Confident16 Ų1659 Ų597%0.0730%0.297CS..Hα-helixtrans-67.2-38.1176.7-73180178165.90112.6T149 L177 E181 Q182 Y184 S185 Q186 I187 L192 A193T149-K189 HydrophobicContact CG2-CB 3.68Å; L177-K189 HydrophobicContact CD1-CD 4.24Å; L177-K189 HydrophobicContact CD1-CG 4.37Å; E181-K189 VanDerWaalsContact O-CE 3.25Å; E181-K189 WeakPolarHBondContact O-CE 3.23Å; Q182-K189 WeakPolarHBondContact O-CE 3.32Å; Q182-K189 PolarHBondContact O-NZ 3.05Å; Y184-K189 WeakPolarHBondContact O-CE 3.41Å; S185-K189 WeakPolarHBondContact O-CG 3.26Å; S185-K189 PolarHBondContact O-N 3.46Å; Q186-K189 WeakPolarHBondContact O-CB 3.45Å; Q186-K189 PolarHBondContact O-N 3.44Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 2.88Å; K189-L192 WeakPolarHBondContact O-CB 3.42Å; K189-L192 PolarHBondContact O-N 2.78Å; K189-A193 WeakPolarHBondContact O-CB 3.4Å; K189-A193 PolarHBondContact O-N 3.33Å
190E82.8Confident83.7Confident11 Ų1157.5 Ų57.55%0.05129%0.291CS..Hα-helixtrans-70.5-43.1176.3-68160.4179.200110.7T149 Q186 I187 L192 A193 L194 H216 L219T149-E190 HydrophobicContact CG2-CB 4.42Å; T149-E190 HydrophobicContact CG2-CG 3.59Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.39Å; Q186-E190 PolarHBondContact NE2-OE1 3.29Å; Q186-E190 WeakPolarHBondContact O-CG 3.43Å; Q186-E190 PolarHBondContact O-N 2.78Å; I187-E190 PolarHBondContact O-N 3.39Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.26Å; E190-A193 WeakPolarHBondContact O-CB 3.24Å; E190-A193 PolarHBondContact O-N 3.23Å; E190-L194 WeakPolarHBondContact O-CG 3.37Å; E190-L194 PolarHBondContact O-N 3.45Å; E190-H216 VanDerWaalsContact CD-CB 3.49Å; E190-H216 IonicContact OE1-CD2 3.84Å; E190-H216 PolarHBondContact OE1-CD2 2.88Å; E190-H216 IonicContact OE1-CG 3.46Å; E190-H216 WeakPolarHBondContact OE2-CB 3.3Å; E190-H216 IonicContact OE2-CD2 3.93Å; E190-H216 PolarHBondContact OE2-CD2 2.83Å; E190-H216 IonicContact OE2-CE1 3.3Å; E190-H216 PolarHBondContact OE2-CE1 3.42Å; E190-H216 IonicContact OE2-CG 2.92Å; E190-H216 IonicContact OE2-ND1 2.72Å; E190-H216 PolarHBondContact OE2-ND1 2.86Å; E190-H216 IonicContact OE2-NE2 3.02Å; E190-L219 HydrophobicContact CB-CD1 3.65Å
191A81.3Confident83.7Confident25 Ų2555 Ų5521%0.20727%0.27CS..Hα-helixtrans-57.5-42.4171.900000111.3I187 A193 L194 V195 L219I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 2.9Å; A191-A193 PolarHBondContact O-N 3.21Å; A191-L194 PolarHBondContact O-N 2.8Å; A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 2.95Å; A191-L219 HydrophobicContact CB-CD2 4.03Å
192L84.1Confident83.4Confident42 Ų4256.3 Ų56.322%0.2228%0.275CS..Hα-helixtrans-62-40.6173.7-179.964.2000112L177 E181 Y184 E188 K189 E190 V195 F196L177-L192 HydrophobicContact CD2-CD2 3.57Å; E181-L192 HydrophobicContact CB-CD2 4Å; E181-L192 HydrophobicContact CG-CD2 3.83Å; Y184-L192 HydrophobicContact CD2-CD2 4.31Å; Y184-L192 HydrophobicContact CE2-CD2 4.27Å; E188-L192 VanDerWaalsContact O-CB 3.29Å; E188-L192 WeakPolarHBondContact O-CB 3.32Å; E188-L192 PolarHBondContact O-N 3Å; K189-L192 WeakPolarHBondContact O-CB 3.42Å; K189-L192 PolarHBondContact O-N 2.78Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.26Å; L192-V195 PolarHBondContact O-N 3.04Å; L192-F196 WeakPolarHBondContact O-CB 3.43Å; L192-F196 PolarHBondContact O-N 2.77Å
193A84.7Confident82.8Confident1 Ų163.5 Ų63.51%0.00830%0.3CS..Hα-helixtrans-61.9-42.617600000111.7A147 D148 V154 K189 E190 A191 F196 A197A147-A193 HydrophobicContact CB-CB 3.95Å; A147-A193 WeakPolarHBondContact CB-O 3.38Å; D148-A193 WeakPolarHBondContact O-CB 3.46Å; V154-A193 HydrophobicContact CB-CB 4.03Å; V154-A193 HydrophobicContact CG1-CB 3.77Å; K189-A193 WeakPolarHBondContact O-CB 3.4Å; K189-A193 PolarHBondContact O-N 3.33Å; E190-A193 WeakPolarHBondContact O-CB 3.24Å; E190-A193 PolarHBondContact O-N 3.23Å; A191-A193 PolarHBondContact O-N 3.21Å; A193-F196 WeakPolarHBondContact O-CB 3.46Å; A193-F196 PolarHBondContact O-N 3.03Å; A193-A197 WeakPolarHBondContact O-CB 3.15Å; A193-A197 PolarHBondContact O-N 2.85Å
194L85.9Confident82.1Confident4 Ų456.6 Ų56.62%0.02127%0.273CS..Hα-helixtrans-62.6-44.7175.2-63.3175.6000111.7A147 E190 A191 F196 A197 V198 L212 T214 L219 F223A147-L194 HydrophobicContact CB-CD2 3.85Å; E190-L194 WeakPolarHBondContact O-CG 3.37Å; E190-L194 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 2.8Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.02Å; L194-A197 PolarHBondContact O-N 3.27Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 3.33Å; L194-L212 HydrophobicContact CB-CD2 4.26Å; L194-L212 HydrophobicContact CD1-CD2 4.14Å; L194-L212 HydrophobicContact CD2-CD1 3.76Å; L194-L212 HydrophobicContact CD2-CD2 3.71Å; L194-L212 HydrophobicContact CD2-CG 3.7Å; L194-L212 HydrophobicContact CG-CD2 4.24Å; L194-T214 HydrophobicContact CD1-CG2 4.46Å; L194-T214 HydrophobicContact CD2-CG2 4.48Å; L194-L219 HydrophobicContact CD1-CD1 3.93Å; L194-F223 HydrophobicContact CD1-CD2 4.39Å; L194-F223 HydrophobicContact CD1-CE2 3.81Å
195V83.5Confident81.8Confident35 Ų3552.1 Ų52.121%0.21226%0.255CS..Hα-helixtrans-61.9-42.7175.5172.60000111A191 L192 K199 F236A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 2.95Å; L192-V195 PolarHBondContact O-N 3.04Å; V195-K199 HydrophobicContact CG1-CD 4.01Å; V195-K199 HydrophobicContact CG1-CG 4.46Å; V195-K199 WeakPolarHBondContact O-CB 3.26Å; V195-K199 WeakPolarHBondContact O-CG 3.43Å; V195-K199 PolarHBondContact O-N 2.92Å; V195-F236 HydrophobicContact CG2-CE2 4.1Å; V195-F236 HydrophobicContact CG2-CZ 4.07Å
196F82.8Confident81.2Confident49 Ų4950.9 Ų50.922%0.21524%0.243CC..Hα-helixtrans-59.8-45.3175.3169.1-98.5000111.4V154 A156 A173 L192 A193 L194 K199 T200V154-F196 HydrophobicContact CB-CD1 4.27Å; V154-F196 HydrophobicContact CG2-CB 4.08Å; V154-F196 HydrophobicContact CG2-CD1 3.57Å; V154-F196 HydrophobicContact CG2-CD2 4.04Å; V154-F196 HydrophobicContact CG2-CE1 3.97Å; V154-F196 HydrophobicContact CG2-CE2 4.4Å; V154-F196 HydrophobicContact CG2-CG 3.61Å; V154-F196 HydrophobicContact CG2-CZ 4.37Å; A156-F196 HydrophobicContact CB-CD1 4.22Å; A156-F196 HydrophobicContact CB-CE1 4.23Å; A173-F196 HydrophobicContact CB-CE1 3.85Å; A173-F196 HydrophobicContact CB-CZ 4Å; L192-F196 WeakPolarHBondContact O-CB 3.43Å; L192-F196 PolarHBondContact O-N 2.77Å; A193-F196 WeakPolarHBondContact O-CB 3.46Å; A193-F196 PolarHBondContact O-N 3.03Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.02Å; F196-K199 PolarHBondContact O-N 3.18Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.42Å; F196-T200 VanDerWaalsContact O-CB 3.24Å; F196-T200 WeakPolarHBondContact O-CB 3.42Å; F196-T200 PolarHBondContact O-N 2.83Å; F196-T200 PolarHBondContact O-OG1 2.9Å
197A84.7Confident80.6Confident0 Ų048.6 Ų48.60%024%0.244CC..Hα-helixtrans-61.5-50.1179.100000111.7V145 A147 A156 A193 L194 K199 T200 F201V145-A197 HydrophobicContact CG1-CB 3.76Å; A147-A197 HydrophobicContact CB-CB 3.87Å; A156-A197 HydrophobicContact CB-CB 3.5Å; A156-A197 VanDerWaalsContact CB-CB 3.5Å; A193-A197 WeakPolarHBondContact O-CB 3.15Å; A193-A197 PolarHBondContact O-N 2.85Å; L194-A197 PolarHBondContact O-N 3.27Å; A197-K199 PolarHBondContact O-N 3.17Å; A197-T200 PolarHBondContact O-N 3Å; A197-F201 HydrophobicContact CB-CD2 4.44Å; A197-F201 WeakPolarHBondContact O-CB 3.36Å; A197-F201 VanDerWaalsContact O-CD2 3.23Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 PolarHBondContact O-N 3.26Å
198V83.1Confident80.1Confident24 Ų2447.7 Ų47.715%0.14524%0.236CC..Hα-helixtrans-62.6-43.5-179.9173.40000111.2L194 H202 I205 F210L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 3.33Å; V198-H202 VanDerWaalsContact O-CA 3.32Å; V198-H202 WeakPolarHBondContact O-CA 3.45Å; V198-H202 WeakPolarHBondContact O-CB 3.49Å; V198-H202 PolarHBondContact O-N 2.86Å; V198-I205 HydrophobicContact CB-CD1 4.36Å; V198-I205 HydrophobicContact CG1-CD1 4.1Å; V198-F210 HydrophobicContact CG2-CE2 4.46Å; V198-F210 HydrophobicContact CG2-CZ 4.3Å
199K81Confident79.9Confident158 Ų15850.1 Ų50.169%0.68725%0.245SC*.Hα-helixtrans-65.1-42.5177-76.2-178.6175.41780112.3V195 F196 A197 H202V195-K199 HydrophobicContact CG1-CD 4.01Å; V195-K199 HydrophobicContact CG1-CG 4.46Å; V195-K199 WeakPolarHBondContact O-CB 3.26Å; V195-K199 WeakPolarHBondContact O-CG 3.43Å; V195-K199 PolarHBondContact O-N 2.92Å; F196-K199 PolarHBondContact O-N 3.18Å; A197-K199 PolarHBondContact O-N 3.17Å; K199-H202 VanDerWaalsContact O-CB 3.32Å; K199-H202 WeakPolarHBondContact O-CB 3.49Å
200T79.5Confident79.8Confident66 Ų6649.6 Ų49.641%0.40524%0.243SC..Hα-helixtrans-69.2-42.2-177.3-58.10000111.5A173 F196 A197 H202A173-T200 HydrophobicContact CB-CG2 3.64Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.42Å; F196-T200 VanDerWaalsContact O-CB 3.24Å; F196-T200 WeakPolarHBondContact O-CB 3.42Å; F196-T200 PolarHBondContact O-N 2.83Å; F196-T200 PolarHBondContact O-OG1 2.9Å; A197-T200 PolarHBondContact O-N 3Å; T200-H202 VanDerWaalsContact C-N 3.33Å
201F82.3Confident79.9Confident7 Ų750.3 Ų50.33%0.03125%0.248CC..THydrogen-bonded Turntrans-92.99.1-179.3-54.6-48000113.8V145 A156 I158 C171 A173 A197 R203 V204 I205V145-F201 HydrophobicContact CG1-CD2 4.02Å; V145-F201 HydrophobicContact CG1-CE2 4.36Å; A156-F201 HydrophobicContact CB-CE2 3.66Å; A156-F201 HydrophobicContact CB-CZ 4.15Å; I158-F201 HydrophobicContact CB-CD1 4.21Å; I158-F201 HydrophobicContact CB-CD2 3.82Å; I158-F201 HydrophobicContact CB-CE1 4.36Å; I158-F201 HydrophobicContact CB-CE2 3.95Å; I158-F201 HydrophobicContact CB-CG 3.95Å; I158-F201 HydrophobicContact CB-CZ 4.23Å; I158-F201 HydrophobicContact CD1-CB 4.05Å; I158-F201 HydrophobicContact CD1-CG 4.34Å; I158-F201 HydrophobicContact CG2-CD1 3.59Å; I158-F201 HydrophobicContact CG2-CD2 4.11Å; I158-F201 HydrophobicContact CG2-CE1 3.61Å; I158-F201 HydrophobicContact CG2-CE2 4.1Å; I158-F201 HydrophobicContact CG2-CG 3.86Å; I158-F201 HydrophobicContact CG2-CZ 3.86Å; C171-F201 HydrophobicContact CB-CE1 4.15Å; A173-F201 HydrophobicContact CB-CE1 3.92Å; A173-F201 HydrophobicContact CB-CZ 3.64Å; A197-F201 HydrophobicContact CB-CD2 4.44Å; A197-F201 WeakPolarHBondContact O-CB 3.36Å; A197-F201 VanDerWaalsContact O-CD2 3.23Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 PolarHBondContact O-N 3.26Å; F201-R203 PolarHBondContact O-N 3.19Å; F201-V204 PolarHBondContact O-N 3.1Å; F201-I205 HydrophobicContact CB-CD1 4.36Å; F201-I205 HydrophobicContact CB-CG2 4.3Å; F201-I205 WeakPolarHBondContact O-CG1 3.33Å; F201-I205 PolarHBondContact O-N 3.27Å; F201-I205 VanDerWaalsContact O-N 3.1Å
202H79.3Confident80.1Confident73 Ų7349.5 Ų49.534%0.33824%0.24SC..Hα-helixtrans-46.6-45.2-177.6179-96.5000112.5V198 K199 T200 V204 I205 H206V198-H202 VanDerWaalsContact O-CA 3.32Å; V198-H202 WeakPolarHBondContact O-CA 3.45Å; V198-H202 WeakPolarHBondContact O-CB 3.49Å; V198-H202 PolarHBondContact O-N 2.86Å; K199-H202 VanDerWaalsContact O-CB 3.32Å; K199-H202 WeakPolarHBondContact O-CB 3.49Å; T200-H202 VanDerWaalsContact C-N 3.33Å; H202-V204 PolarHBondContact O-N 3.23Å; H202-V204 VanDerWaalsContact O-N 3.11Å; H202-I205 PolarHBondContact O-N 3.27Å; H202-H206 AromaticContact CE1-CD2 3.61Å; H202-H206 AromaticContact CE1-CG 3.85Å; H202-H206 AromaticContact NE2-CD2 3.14Å; H202-H206 PolarHBondContact NE2-CD2 3.26Å; H202-H206 AromaticContact NE2-CG 3.71Å; H202-H206 WeakPolarHBondContact O-CB 3.19Å; H202-H206 PolarHBondContact O-N 3Å
203R73.5Confident79.9Confident217 Ų21748.8 Ų48.882%0.81924%0.236SC*.Hα-helixtrans-61.1-24.2-179-171.2172.3125.8136.3-1.6114.1F201F201-R203 PolarHBondContact O-N 3.19Å
204V73.6Confident79.4Confident36 Ų3649 Ų4922%0.21824%0.237CC..Hα-helixtrans-97.1-35.9-177.2-172.80000111.4Y137 I158 F201 H202Y137-V204 HydrophobicContact CD1-CG1 4.43Å; Y137-V204 HydrophobicContact CD2-CG1 3.37Å; Y137-V204 HydrophobicContact CE1-CG1 4.22Å; Y137-V204 HydrophobicContact CE2-CG1 3.13Å; Y137-V204 HydrophobicContact CG-CG1 4.02Å; Y137-V204 PolarHBondContact OH-O 3.12Å; Y137-V204 VanDerWaalsContact OH-O 3.05Å; I158-V204 HydrophobicContact CD1-CB 3.91Å; I158-V204 HydrophobicContact CD1-CG1 3.63Å; F201-V204 PolarHBondContact O-N 3.1Å; H202-V204 PolarHBondContact O-N 3.23Å; H202-V204 VanDerWaalsContact O-N 3.11Å
205I80Confident78.5Confident4 Ų454.2 Ų54.22%0.02127%0.265CS..Hα-helixtrans-97.8-20.3-173.369.7-171.1000114.1I143 V145 I158 V198 F201 H202 G207 R208 F210I143-I205 HydrophobicContact CD1-CG2 4.48Å; I143-I205 HydrophobicContact CG2-CG2 4.08Å; V145-I205 HydrophobicContact CG2-CG2 4.09Å; I158-I205 HydrophobicContact CD1-CG2 3.5Å; V198-I205 HydrophobicContact CB-CD1 4.36Å; V198-I205 HydrophobicContact CG1-CD1 4.1Å; F201-I205 HydrophobicContact CB-CD1 4.36Å; F201-I205 HydrophobicContact CB-CG2 4.3Å; F201-I205 WeakPolarHBondContact O-CG1 3.33Å; F201-I205 PolarHBondContact O-N 3.27Å; F201-I205 VanDerWaalsContact O-N 3.1Å; H202-I205 PolarHBondContact O-N 3.27Å; I205-G207 PolarHBondContact O-N 2.91Å; I205-R208 WeakPolarHBondContact O-CB 3.35Å; I205-R208 PolarHBondContact O-N 3.46Å; I205-F210 HydrophobicContact CB-CD1 3.83Å; I205-F210 HydrophobicContact CB-CE1 3.98Å; I205-F210 HydrophobicContact CB-CG 4.26Å; I205-F210 HydrophobicContact CD1-CE1 3.95Å; I205-F210 HydrophobicContact CD1-CE2 4.22Å; I205-F210 HydrophobicContact CD1-CZ 3.76Å; I205-F210 HydrophobicContact CG1-CD1 4.42Å; I205-F210 HydrophobicContact CG1-CE1 4.06Å; I205-F210 HydrophobicContact CG1-CZ 4.39Å; I205-F210 HydrophobicContact CG2-CD1 4.47Å; I205-F210 HydrophobicContact CG2-CG 4.42Å
206H73.9Confident77.4Confident32 Ų3254.2 Ų54.215%0.14826%0.263CS..THydrogen-bonded Turntrans-59.1132.9-175.7177.7-85.6000111.6H202 R208H202-H206 AromaticContact CE1-CD2 3.61Å; H202-H206 AromaticContact CE1-CG 3.85Å; H202-H206 AromaticContact NE2-CD2 3.14Å; H202-H206 PolarHBondContact NE2-CD2 3.26Å; H202-H206 AromaticContact NE2-CG 3.71Å; H202-H206 WeakPolarHBondContact O-CB 3.19Å; H202-H206 PolarHBondContact O-N 3Å; H206-R208 PolarHBondContact O-N 3Å
207G67.1Low76.1Confident44 Ų4459.8 Ų59.845%0.45429%0.287SS..THydrogen-bonded Turntrans73.27.9-176.600000114.8I205I205-G207 PolarHBondContact O-N 2.91Å
208R72.4Confident74.5Confident54 Ų5462.8 Ų62.820%0.20431%0.307CS..SBendtrans-119.6157.1-179.4-56.8-165.668.5-150.3-15.2111.5Y137 P139 K141 I143 I205 H206Y137-R208 WeakPolarHBondContact OH-CD 3.47Å; Y137-R208 PolarHBondContact OH-NH1 3.47Å; P139-R208 VanDerWaalsContact CA-NH1 3.27Å; P139-R208 PolarHBondContact O-NH1 3.45Å; P139-R208 PolarHBondContact O-NH2 2.97Å; K141-R208 PolarHBondContact O-NH2 3.5Å; K141-R208 VanDerWaalsContact O-NH2 3.12Å; I143-R208 VanDerWaalsContact CD1-NH1 3.31Å; I205-R208 WeakPolarHBondContact O-CB 3.35Å; I205-R208 PolarHBondContact O-N 3.46Å; H206-R208 PolarHBondContact O-N 3Å
209K78Confident73Confident154 Ų15461.7 Ų61.767%0.6730%0.3SS*.EExtended strand (participates in β ladder)trans-78130165.3-66.8-177.1179.9-179.90108.6
210F83.2Confident71.5Confident6 Ų655.3 Ų55.33%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-144157.4173.968.2-86.6000110.3I143 V145 V198 I205 A254 I255I143-F210 HydrophobicContact CB-CB 3.84Å; I143-F210 HydrophobicContact CG2-CB 3.87Å; I143-F210 WeakPolarHBondContact O-CA 3.3Å; I143-F210 WeakPolarHBondContact O-CB 3.41Å; V145-F210 HydrophobicContact CB-CD2 4.37Å; V145-F210 HydrophobicContact CG2-CD2 3.96Å; V145-F210 HydrophobicContact CG2-CE2 4.38Å; V198-F210 HydrophobicContact CG2-CE2 4.46Å; V198-F210 HydrophobicContact CG2-CZ 4.3Å; I205-F210 HydrophobicContact CB-CD1 3.83Å; I205-F210 HydrophobicContact CB-CE1 3.98Å; I205-F210 HydrophobicContact CB-CG 4.26Å; I205-F210 HydrophobicContact CD1-CE1 3.95Å; I205-F210 HydrophobicContact CD1-CE2 4.22Å; I205-F210 HydrophobicContact CD1-CZ 3.76Å; I205-F210 HydrophobicContact CG1-CD1 4.42Å; I205-F210 HydrophobicContact CG1-CE1 4.06Å; I205-F210 HydrophobicContact CG1-CZ 4.39Å; I205-F210 HydrophobicContact CG2-CD1 4.47Å; I205-F210 HydrophobicContact CG2-CG 4.42Å; F210-A254 WeakPolarHBondContact O-CA 3.33Å; F210-I255 HydrophobicContact CD1-CB 4.12Å; F210-I255 HydrophobicContact CD1-CG2 4.34Å; F210-I255 HydrophobicContact CE1-CB 3.5Å; F210-I255 HydrophobicContact CE1-CD1 4.42Å; F210-I255 HydrophobicContact CE1-CG1 4.38Å; F210-I255 HydrophobicContact CE1-CG2 3.43Å; F210-I255 VanDerWaalsContact CE1-CG2 3.43Å; F210-I255 HydrophobicContact CE2-CB 4.15Å; F210-I255 HydrophobicContact CE2-CD1 3.96Å; F210-I255 HydrophobicContact CE2-CG1 4.22Å; F210-I255 HydrophobicContact CZ-CB 3.53Å; F210-I255 HydrophobicContact CZ-CD1 3.57Å; F210-I255 HydrophobicContact CZ-CG1 3.89Å; F210-I255 HydrophobicContact CZ-CG2 3.68Å; F210-I255 PolarHBondContact O-N 2.76Å
211T84.2Confident69.9Low25 Ų2555 Ų5515%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-101.5126.9-179.4-59.40000109.2I143 T144 V145 L213 V251I143-T211 PolarHBondContact O-N 3.28Å; T144-T211 CarbonylContact C-O 3.28Å; T144-T211 WeakPolarHBondContact CA-O 3.46Å; V145-T211 PolarHBondContact N-O 2.88Å; T211-L213 HydrophobicContact CG2-CD2 3.91Å; T211-L213 HydrophobicContact CG2-CG 4.44Å; T211-V251 HydrophobicContact CG2-CB 4.29Å; T211-V251 HydrophobicContact CG2-CG1 3.72Å; T211-V251 HydrophobicContact CG2-CG2 3.77Å
212L84.5Confident68.3Low9 Ų958.2 Ų58.25%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-100.3118.1174.1-168.567000110V145 L194 I252 A253V145-L212 HydrophobicContact CB-CD1 3.95Å; V145-L212 HydrophobicContact CG1-CD1 3.87Å; V145-L212 CarbonylContact O-C 3.54Å; V145-L212 WeakPolarHBondContact O-CA 3.46Å; L194-L212 HydrophobicContact CB-CD2 4.26Å; L194-L212 HydrophobicContact CD1-CD2 4.14Å; L194-L212 HydrophobicContact CD2-CD1 3.76Å; L194-L212 HydrophobicContact CD2-CD2 3.71Å; L194-L212 HydrophobicContact CD2-CG 3.7Å; L194-L212 HydrophobicContact CG-CD2 4.24Å; L212-I252 PolarHBondContact O-N 3.22Å; L212-I252 VanDerWaalsContact O-N 3.1Å; L212-A253 PolarHBondContact N-O 3.34Å; L212-A253 VanDerWaalsContact N-O 3.14Å
213L81.6Confident67.1Low27 Ų2756.3 Ų56.314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-102.7137.6177.8-59.6-177.8000111.1T144 V145 T146 T211 V251T144-L213 HydrophobicContact CG2-CD1 3.32Å; T144-L213 HydrophobicContact CG2-CG 3.52Å; V145-L213 PolarHBondContact O-N 2.91Å; T146-L213 HydrophobicContact CG2-CB 4.28Å; T211-L213 HydrophobicContact CG2-CD2 3.91Å; T211-L213 HydrophobicContact CG2-CG 4.44Å; L213-V251 HydrophobicContact CD2-CB 4.5Å; L213-V251 HydrophobicContact CD2-CG2 3.62Å
214T73.9Confident65.7Low4 Ų448 Ų483%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-151.2152.2167165.40000109.5L194 H216 L219 V250 I252L194-T214 HydrophobicContact CD1-CG2 4.46Å; L194-T214 HydrophobicContact CD2-CG2 4.48Å; T214-H216 VanDerWaalsContact C-N 3.29Å; T214-H216 PolarHBondContact OG1-N 3.3Å; T214-H216 VanDerWaalsContact OG1-N 3.12Å; T214-L219 HydrophobicContact CG2-CD1 4.47Å; T214-V250 PolarHBondContact N-O 3.11Å; T214-V250 PolarHBondContact O-N 2.99Å; T214-I252 HydrophobicContact CG2-CD1 2.98Å; T214-I252 HydrophobicContact CG2-CG1 3.48Å; T214-I252 VanDerWaalsContact CG2-CG1 3.48Å
215D67Low63.8Low114 Ų11449 Ų4961%0.6128%0.283SS*.SBendtrans-71.1-21.1173.357.5-16.8000113.3K217D215-K217 PolarHBondContact O-N 2.79Å
216H60.9Low61.6Low36 Ų3657.5 Ų57.517%0.16732%0.32CS..  trans-90.493-170.3-162.2-103000113.3E190 T214 P218 L219E190-H216 VanDerWaalsContact CD-CB 3.49Å; E190-H216 IonicContact OE1-CD2 3.84Å; E190-H216 PolarHBondContact OE1-CD2 2.88Å; E190-H216 IonicContact OE1-CG 3.46Å; E190-H216 WeakPolarHBondContact OE2-CB 3.3Å; E190-H216 IonicContact OE2-CD2 3.93Å; E190-H216 PolarHBondContact OE2-CD2 2.83Å; E190-H216 IonicContact OE2-CE1 3.3Å; E190-H216 PolarHBondContact OE2-CE1 3.42Å; E190-H216 IonicContact OE2-CG 2.92Å; E190-H216 IonicContact OE2-ND1 2.72Å; E190-H216 PolarHBondContact OE2-ND1 2.86Å; E190-H216 IonicContact OE2-NE2 3.02Å; T214-H216 VanDerWaalsContact C-N 3.29Å; T214-H216 PolarHBondContact OG1-N 3.3Å; T214-H216 VanDerWaalsContact OG1-N 3.12Å; H216-P218 VanDerWaalsContact C-N 3.3Å; H216-P218 VanDerWaalsContact CE1-CB 3.42Å; H216-P218 WeakPolarHBondContact CE1-CB 3.23Å; H216-P218 VanDerWaalsContact CE1-CD 3.46Å; H216-P218 WeakPolarHBondContact CE1-CD 3.43Å; H216-P218 WeakPolarHBondContact CE1-CG 3.42Å; H216-P218 VanDerWaalsContact ND1-CD 3.3Å; H216-P218 WeakPolarHBondContact ND1-CD 2.99Å; H216-P218 VanDerWaalsContact O-N 3.13Å; H216-L219 HydrophobicContact CB-CD1 4.05Å; H216-L219 HydrophobicContact CB-CG 4.47Å; H216-L219 PolarHBondContact O-N 3Å
217K55Low59.5Low166 Ų16664.1 Ų64.172%0.72235%0.349SS*.THydrogen-bonded Turntrans-42.6-43.9175.5-73174.4-179.2176.30114.6D215 L219 G220 V250D215-K217 PolarHBondContact O-N 2.79Å; K217-L219 VanDerWaalsContact C-N 3.25Å; K217-L219 PolarHBondContact O-N 3.21Å; K217-G220 PolarHBondContact O-N 3.38Å; K217-G220 VanDerWaalsContact O-N 3.1Å; K217-V250 HydrophobicContact CG-CG2 3.74Å
218P50.1Low57.6Low63 Ų6371.2 Ų71.241%0.40937%0.37SS..THydrogen-bonded Turntrans-60.5-25.9-179.1-25.532.5000115.5H216 G220 A221 V222H216-P218 VanDerWaalsContact C-N 3.3Å; H216-P218 VanDerWaalsContact CE1-CB 3.42Å; H216-P218 WeakPolarHBondContact CE1-CB 3.23Å; H216-P218 VanDerWaalsContact CE1-CD 3.46Å; H216-P218 WeakPolarHBondContact CE1-CD 3.43Å; H216-P218 WeakPolarHBondContact CE1-CG 3.42Å; H216-P218 VanDerWaalsContact ND1-CD 3.3Å; H216-P218 WeakPolarHBondContact ND1-CD 2.99Å; H216-P218 VanDerWaalsContact O-N 3.13Å; P218-G220 PolarHBondContact O-N 3.42Å; P218-A221 WeakPolarHBondContact O-CB 3.46Å; P218-A221 PolarHBondContact O-N 3.41Å; P218-V222 PolarHBondContact O-N 3.07Å
219L52.1Low55.5Low1 Ų174.5 Ų74.51%0.00540%0.396CS..Hα-helixtrans-68.2-24178-73.3168.2000111.8I187 E190 A191 L194 T214 H216 K217 A221 V222 F223 I252I187-L219 HydrophobicContact CG2-CD2 4.08Å; E190-L219 HydrophobicContact CB-CD1 3.65Å; A191-L219 HydrophobicContact CB-CD2 4.03Å; L194-L219 HydrophobicContact CD1-CD1 3.93Å; T214-L219 HydrophobicContact CG2-CD1 4.47Å; H216-L219 HydrophobicContact CB-CD1 4.05Å; H216-L219 HydrophobicContact CB-CG 4.47Å; H216-L219 PolarHBondContact O-N 3Å; K217-L219 VanDerWaalsContact C-N 3.25Å; K217-L219 PolarHBondContact O-N 3.21Å; L219-A221 PolarHBondContact O-N 3.31Å; L219-V222 PolarHBondContact O-N 2.77Å; L219-F223 HydrophobicContact CB-CD2 4.26Å; L219-F223 HydrophobicContact CD2-CD2 4.35Å; L219-F223 HydrophobicContact CD2-CE2 3.94Å; L219-F223 PolarHBondContact O-N 2.85Å; L219-I252 HydrophobicContact CB-CD1 3.3Å
220G49.4Very low53.2Low23 Ų2373.2 Ų73.224%0.23741%0.407CS..Hα-helixtrans-59.2-29.6170.200000112.1K217 P218 G224K217-G220 PolarHBondContact O-N 3.38Å; K217-G220 VanDerWaalsContact O-N 3.1Å; P218-G220 PolarHBondContact O-N 3.42Å; G220-G224 WeakPolarHBondContact O-CA 3.38Å; G220-G224 PolarHBondContact O-N 3.06Å
221A45.5Very low50.5Low59 Ų5975.8 Ų75.849%0.48844%0.435SS..Hα-helixtrans-75.5-44175.100000112P218 L219 S225P218-A221 WeakPolarHBondContact O-CB 3.46Å; P218-A221 PolarHBondContact O-N 3.41Å; L219-A221 PolarHBondContact O-N 3.31Å; A221-S225 WeakPolarHBondContact O-CB 3.5Å; A221-S225 PolarHBondContact O-N 3.36Å; A221-S225 PolarHBondContact O-OG 3.15Å
222V50.3Low47.9Very low76 Ų7683.3 Ų83.346%0.46147%0.469SS..Hα-helixtrans-64.6-47.9-179.1-179.60000111P218 L219P218-V222 PolarHBondContact O-N 3.07Å; L219-V222 PolarHBondContact O-N 2.77Å
223F52.9Low45.2Very low33 Ų3389 Ų8915%0.14551%0.506CS..Hα-helixtrans-89.4-35.1-177.7-68.7-68000113.1L194 L219 F236 V240 I252L194-F223 HydrophobicContact CD1-CD2 4.39Å; L194-F223 HydrophobicContact CD1-CE2 3.81Å; L219-F223 HydrophobicContact CB-CD2 4.26Å; L219-F223 HydrophobicContact CD2-CD2 4.35Å; L219-F223 HydrophobicContact CD2-CE2 3.94Å; L219-F223 PolarHBondContact O-N 2.85Å; F223-F236 HydrophobicContact CD1-CB 3.93Å; F223-F236 HydrophobicContact CD1-CG 4.36Å; F223-F236 HydrophobicContact CE1-CB 3.99Å; F223-F236 AromaticContact CE1-CD2 3.89Å; F223-F236 HydrophobicContact CE1-CD2 3.89Å; F223-F236 AromaticContact CE1-CG 3.95Å; F223-F236 HydrophobicContact CE1-CG 3.95Å; F223-V240 HydrophobicContact CB-CG2 4.11Å; F223-V240 WeakPolarHBondContact O-CB 3.37Å; F223-V240 WeakPolarHBondContact O-CG2 3.38Å; F223-I252 HydrophobicContact CB-CG2 3.68Å; F223-I252 HydrophobicContact CD2-CG2 4.16Å; F223-I252 HydrophobicContact CG-CG2 4.3Å
224G43.6Very low43.1Very low41 Ų4191.3 Ų91.342%0.42352%0.519SS..Hα-helixtrans-83-12.8-173.400000115.8G220G220-G224 WeakPolarHBondContact O-CA 3.38Å; G220-G224 PolarHBondContact O-N 3.06Å
225S34.2Very low41.2Very low57 Ų5794.1 Ų94.140%0.39954%0.542SS..  trans-111114.6-173.5-44.20000111.6A221 K227A221-S225 WeakPolarHBondContact O-CB 3.5Å; A221-S225 PolarHBondContact O-N 3.36Å; A221-S225 PolarHBondContact O-OG 3.15Å; S225-K227 PolarHBondContact O-N 3.25Å
226K33.4Very low39.7Very low183 Ų18391.1 Ų91.180%0.79652%0.523SS*.  trans-6624.2162-79.5-169.1174.3-175.90113.6E228K226-E228 PolarHBondContact O-N 3.36Å
227K29.8Very low38.3Very low172 Ų17293.3 Ų93.375%0.74854%0.543SS*.  trans-80.792.4178.9-77.8-169.2176.7-177.30108.4S225 T229S225-K227 PolarHBondContact O-N 3.25Å; K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.98Å
228E27.7Very low37Very low192 Ų19287.3 Ų87.390%0.89753%0.528SS*.  trans8.267.5149.2-63178.3169.400115.6K226 S230K226-E228 PolarHBondContact O-N 3.36Å; E228-S230 PolarHBondContact O-N 3.44Å
229T28.4Very low36.3Very low123 Ų12385 Ų8576%0.75551%0.512SS*.  trans-86.3100.2161.747.50000106.9K227 G231K227-T229 VanDerWaalsContact C-N 3.29Å; K227-T229 PolarHBondContact O-N 2.98Å; T229-G231 PolarHBondContact O-N 3.34Å
230S29.1Very low35.2Very low128 Ų12887.2 Ų87.290%0.89553%0.525SS*.SBendtrans-51.497.8167.551.50000110.9E228E228-S230 PolarHBondContact O-N 3.44Å
231G27.5Very low34.5Very low60 Ų6087.8 Ų87.862%0.61953%0.532SS*.SBendtrans143100.1172.200000112.3T229T229-G231 PolarHBondContact O-N 3.34Å
232Q28.9Very low33.8Very low183 Ų18394.6 Ų94.686%0.85555%0.55SS**SBendtrans72.8127.6178.7-97.2150.1-50.600116.9D234Q232-D234 PolarHBondContact O-N 3.36Å
233P28.2Very low33Very low127 Ų12798.4 Ų98.483%0.82556%0.563SS**  trans-69.4100.417628.6-30.8000108.3A235P233-A235 PolarHBondContact O-N 3.36Å
234D36.9Very low31.9Very low77 Ų77102.6 Ų102.641%0.41259%0.591SS.*  trans-63.9124.9174.9-152.6-10.5000108.4Q232 F236 S237Q232-D234 PolarHBondContact O-N 3.36Å; D234-F236 PolarHBondContact O-N 3.21Å; D234-S237 PolarHBondContact O-N 2.98Å; D234-S237 PolarHBondContact O-OG 2.92Å
235A34.1Very low31Very low62 Ų62105.9 Ų105.951%0.51261%0.605SS.*THydrogen-bonded Turntrans-61.5-4.8-17100000113.5P233P233-A235 PolarHBondContact O-N 3.36Å
236F36Very low30.8Very low51 Ų51106.8 Ų106.822%0.22462%0.616CS.*THydrogen-bonded Turntrans-115.2-1.6-172.8-59-80.7000114.4V195 F223 D234 G238 I239V195-F236 HydrophobicContact CG2-CE2 4.1Å; V195-F236 HydrophobicContact CG2-CZ 4.07Å; F223-F236 HydrophobicContact CD1-CB 3.93Å; F223-F236 HydrophobicContact CD1-CG 4.36Å; F223-F236 HydrophobicContact CE1-CB 3.99Å; F223-F236 AromaticContact CE1-CD2 3.89Å; F223-F236 HydrophobicContact CE1-CD2 3.89Å; F223-F236 AromaticContact CE1-CG 3.95Å; F223-F236 HydrophobicContact CE1-CG 3.95Å; D234-F236 PolarHBondContact O-N 3.21Å; F236-G238 PolarHBondContact O-N 2.95Å; F236-I239 HydrophobicContact CD1-CD1 3.93Å; F236-I239 WeakPolarHBondContact O-CB 3.49Å; F236-I239 PolarHBondContact O-N 2.75Å
237S30.7Very low30.9Very low82 Ų82107.1 Ų107.157%0.57362%0.621SS**THydrogen-bonded Turntrans-59.3-15.2-17856.40000115D234D234-S237 PolarHBondContact O-N 2.98Å; D234-S237 PolarHBondContact O-OG 2.92Å
238G28.7Very low31.5Very low40 Ų40108.8 Ų108.841%0.41263%0.631SS.*THydrogen-bonded Turntrans-89.8-3.2175.300000116.1F236 H259F236-G238 PolarHBondContact O-N 2.95Å; G238-H259 PolarHBondContact O-CD2 2.7Å; G238-H259 VanDerWaalsContact O-CD2 3.23Å
239I34.5Very low32.1Very low16 Ų16100.4 Ų100.48%0.08260%0.596CS.*  trans-111.9-16.2-150.4-60.8-173.8000115.1F236 I255F236-I239 HydrophobicContact CD1-CD1 3.93Å; F236-I239 WeakPolarHBondContact O-CB 3.49Å; F236-I239 PolarHBondContact O-N 2.75Å; I239-I255 HydrophobicContact CG2-CB 3.81Å; I239-I255 HydrophobicContact CG2-CD1 3.9Å; I239-I255 HydrophobicContact CG2-CG1 3.61Å; I239-I255 HydrophobicContact CG2-CG2 3.4Å; I239-I255 VanDerWaalsContact CG2-CG2 3.4Å
240V30.6Very low32.9Very low46 Ų4696.1 Ų96.128%0.27957%0.57SS.*BIsolated β-bridgetrans-98.8119.2-167.3-175.20000113.8F223 I252 A253F223-V240 HydrophobicContact CB-CG2 4.11Å; F223-V240 WeakPolarHBondContact O-CB 3.37Å; F223-V240 WeakPolarHBondContact O-CG2 3.38Å; V240-I252 VanDerWaalsContact CG1-O 3.3Å; V240-I252 WeakPolarHBondContact CG1-O 3.44Å; V240-A253 HydrophobicContact CB-CB 4.23Å; V240-A253 HydrophobicContact CG1-CB 3.85Å; V240-A253 HydrophobicContact CG2-CB 3.74Å
241G34.5Very low33.7Very low36 Ų3692.4 Ų92.437%0.37154%0.542SS..PPolyproline II helixtrans-82.3150.9167.600000112.9
242K29.2Very low34.7Very low202 Ų20290 Ų9088%0.87852%0.515SS*.PPolyproline II helixtrans-72.5126.6178.7-63.1177.5178.41800111.1
243H35Very low35.7Very low156 Ų15681.5 Ų81.572%0.72248%0.475SS*.  trans-150.2157.6162-93.9-71.6000113.5
244T28.2Very low36.5Very low121 Ų12177.2 Ų77.274%0.74245%0.451SS*.  trans-84.2140.2179.435.80000112.2
245P26.7Very low37.1Very low109 Ų10974.2 Ų74.271%0.70844%0.435SS*.  trans-74.7136.7-173.727.7-32.1000113.1
246A30.1Very low37.8Very low77 Ų7774 Ų7464%0.63643%0.425SS*.  trans-118.1168.4166.900000109.9
247E34Very low38.3Very low190 Ų19071.7 Ų71.789%0.88842%0.416SS*.SBendtrans-50142.8-167.7-65.3165.6161.500116G249E247-G249 PolarHBondContact O-N 2.78Å
248E42.2Very low39Very low206 Ų20673.1 Ų73.196%0.96341%0.413SS*.SBendtrans49.1-4.3171.6-67.7-171.7165.200121.2
249G40.2Very low39.9Very low17 Ų1776.2 Ų76.218%0.17542%0.417CS..SBendtrans-138.8122.7164.900000109.9E247 V251E247-G249 PolarHBondContact O-N 2.78Å; G249-V251 PolarHBondContact O-N 3.47Å; G249-V251 VanDerWaalsContact O-N 3.16Å
250V45.8Very low40.7Very low33 Ų3376.6 Ų76.620%0.242%0.419CS..EExtended strand (participates in β ladder)trans-74.2113173.7-1760000107.4T214 K217 I252T214-V250 PolarHBondContact N-O 3.11Å; T214-V250 PolarHBondContact O-N 2.99Å; K217-V250 HydrophobicContact CG-CG2 3.74Å; V250-I252 HydrophobicContact CB-CG1 4.49Å; V250-I252 HydrophobicContact CG1-CG1 4.17Å; V250-I252 PolarHBondContact O-N 2.95Å
251V46.5Very low41.7Very low50 Ų5074.7 Ų74.730%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-65.2103.3166.2174.80000107.5T211 L213 G249T211-V251 HydrophobicContact CG2-CB 4.29Å; T211-V251 HydrophobicContact CG2-CG1 3.72Å; T211-V251 HydrophobicContact CG2-CG2 3.77Å; L213-V251 HydrophobicContact CD2-CB 4.5Å; L213-V251 HydrophobicContact CD2-CG2 3.62Å; G249-V251 PolarHBondContact O-N 3.47Å; G249-V251 VanDerWaalsContact O-N 3.16Å
252I47.5Very low42.7Very low10 Ų1078.7 Ų78.75%0.05141%0.411CS..EExtended strand (participates in β ladder)trans-82.6-37.7-177.3-67.4-159.8000111.6L212 T214 L219 F223 V240 V250L212-I252 PolarHBondContact O-N 3.22Å; L212-I252 VanDerWaalsContact O-N 3.1Å; T214-I252 HydrophobicContact CG2-CD1 2.98Å; T214-I252 HydrophobicContact CG2-CG1 3.48Å; T214-I252 VanDerWaalsContact CG2-CG1 3.48Å; L219-I252 HydrophobicContact CB-CD1 3.3Å; F223-I252 HydrophobicContact CB-CG2 3.68Å; F223-I252 HydrophobicContact CD2-CG2 4.16Å; F223-I252 HydrophobicContact CG-CG2 4.3Å; V240-I252 VanDerWaalsContact CG1-O 3.3Å; V240-I252 WeakPolarHBondContact CG1-O 3.44Å; V250-I252 HydrophobicContact CB-CG1 4.49Å; V250-I252 HydrophobicContact CG1-CG1 4.17Å; V250-I252 PolarHBondContact O-N 2.95Å
253A49.5Very low44Very low3 Ų374.7 Ų74.73%0.02539%0.391CS..EExtended strand (participates in β ladder)trans-155.2134.1-177.300000111.7L212 V240 I255L212-A253 PolarHBondContact N-O 3.34Å; L212-A253 VanDerWaalsContact N-O 3.14Å; V240-A253 HydrophobicContact CB-CB 4.23Å; V240-A253 HydrophobicContact CG1-CB 3.85Å; V240-A253 HydrophobicContact CG2-CB 3.74Å; A253-I255 HydrophobicContact CB-CD1 4.42Å; A253-I255 HydrophobicContact CB-CG1 3.76Å
254A46.2Very low45.1Very low38 Ų3868.4 Ų68.431%0.31436%0.364SS..EExtended strand (participates in β ladder)trans-87.197.2152.600000106.9F210 N256F210-A254 WeakPolarHBondContact O-CA 3.33Å; A254-N256 PolarHBondContact O-N 2.99Å
255I50Low46.5Very low13 Ų1362.8 Ų62.87%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-76.2114.6-177.3-64.3-167.8000107.9F210 I239 A253F210-I255 HydrophobicContact CD1-CB 4.12Å; F210-I255 HydrophobicContact CD1-CG2 4.34Å; F210-I255 HydrophobicContact CE1-CB 3.5Å; F210-I255 HydrophobicContact CE1-CD1 4.42Å; F210-I255 HydrophobicContact CE1-CG1 4.38Å; F210-I255 HydrophobicContact CE1-CG2 3.43Å; F210-I255 VanDerWaalsContact CE1-CG2 3.43Å; F210-I255 HydrophobicContact CE2-CB 4.15Å; F210-I255 HydrophobicContact CE2-CD1 3.96Å; F210-I255 HydrophobicContact CE2-CG1 4.22Å; F210-I255 HydrophobicContact CZ-CB 3.53Å; F210-I255 HydrophobicContact CZ-CD1 3.57Å; F210-I255 HydrophobicContact CZ-CG1 3.89Å; F210-I255 HydrophobicContact CZ-CG2 3.68Å; F210-I255 PolarHBondContact O-N 2.76Å; I239-I255 HydrophobicContact CG2-CB 3.81Å; I239-I255 HydrophobicContact CG2-CD1 3.9Å; I239-I255 HydrophobicContact CG2-CG1 3.61Å; I239-I255 HydrophobicContact CG2-CG2 3.4Å; I239-I255 VanDerWaalsContact CG2-CG2 3.4Å; A253-I255 HydrophobicContact CB-CD1 4.42Å; A253-I255 HydrophobicContact CB-CG1 3.76Å
256N48Very low48Very low57 Ų5759.9 Ų59.931%0.30531%0.312SS..EExtended strand (participates in β ladder)trans-92.699.1168.7-163.417.9000107.8A254 E258A254-N256 PolarHBondContact O-N 2.99Å; N256-E258 PolarHBondContact ND2-OE2 2.94Å; N256-E258 PolarHBondContact O-N 3.31Å
257A46.9Very low49.4Very low4 Ų460.7 Ų60.73%0.03331%0.305CS..THydrogen-bonded Turntrans-62.31.9-174.300000114.9H259 D260 V261A257-H259 VanDerWaalsContact C-N 3.25Å; A257-H259 PolarHBondContact O-N 3.31Å; A257-D260 WeakPolarHBondContact O-CA 3.36Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 3.46Å; A257-V261 VanDerWaalsContact O-CG2 3.32Å; A257-V261 WeakPolarHBondContact O-CG2 3.06Å; A257-V261 PolarHBondContact O-N 2.97Å
258E44.4Very low50.4Low112 Ų11252.4 Ų52.452%0.52327%0.268SS..Hα-helixtrans-53.3-36.7175.9-79.2-174.5153.800114N256 D260 V261 R262N256-E258 PolarHBondContact ND2-OE2 2.94Å; N256-E258 PolarHBondContact O-N 3.31Å; E258-D260 VanDerWaalsContact C-N 3.34Å; E258-V261 PolarHBondContact O-N 3.48Å; E258-R262 PolarHBondContact O-N 3.2Å
259H48.8Very low51.2Low104 Ų10443.4 Ų43.448%0.48123%0.227SC..Hα-helixtrans-67.9-35175.8-74.1-68.4000112.1G238 A257 R262 R263G238-H259 PolarHBondContact O-CD2 2.7Å; G238-H259 VanDerWaalsContact O-CD2 3.23Å; A257-H259 VanDerWaalsContact C-N 3.25Å; A257-H259 PolarHBondContact O-N 3.31Å; H259-R262 PolarHBondContact O-N 3.35Å; H259-R263 PolarHBondContact O-N 3.05Å; H259-R263 VanDerWaalsContact O-N 3.1Å
260D49.6Very low52.1Low24 Ų2449.9 Ų49.913%0.12825%0.252CS..Hα-helixtrans-68.6-35.9173.4-81.6-21.6000111.5A257 E258 R262 R263 C264A257-D260 WeakPolarHBondContact O-CA 3.36Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 3.46Å; E258-D260 VanDerWaalsContact C-N 3.34Å; D260-R262 VanDerWaalsContact C-N 3.27Å; D260-R262 PolarHBondContact O-N 3.03Å; D260-R263 PolarHBondContact O-N 3.5Å; D260-R263 VanDerWaalsContact O-N 3.14Å; D260-R263 IonicContact OD1-CZ 3.04Å; D260-R263 VanDerWaalsContact OD1-CZ 3.3Å; D260-R263 IonicContact OD1-NE 3.72Å; D260-R263 IonicContact OD1-NH1 3.88Å; D260-R263 IonicContact OD1-NH2 2.74Å; D260-R263 PolarHBondContact OD1-NH2 3.04Å; D260-R263 IonicContact OD2-NH2 3.35Å; D260-C264 WeakPolarHBondContact O-CB 3.48Å; D260-C264 PolarHBondContact O-N 3.02Å; D260-C264 PolarHBondContact O-SG 3.35Å
261V52.7Low52.5Low6 Ų650.4 Ų50.44%0.03626%0.26CS..Hα-helixtrans-62-38.5176.1-1650000110.6A257 E258 C264 L265 V322 M327A257-V261 VanDerWaalsContact O-CG2 3.32Å; A257-V261 WeakPolarHBondContact O-CG2 3.06Å; A257-V261 PolarHBondContact O-N 2.97Å; E258-V261 PolarHBondContact O-N 3.48Å; V261-C264 PolarHBondContact O-N 2.95Å; V261-L265 WeakPolarHBondContact O-CB 3.39Å; V261-L265 PolarHBondContact O-N 3.06Å; V261-V322 HydrophobicContact CB-CG2 3.87Å; V261-V322 HydrophobicContact CG1-CB 4.46Å; V261-V322 HydrophobicContact CG1-CG2 3.29Å; V261-M327 HydrophobicContact CG1-CB 4.47Å; V261-M327 HydrophobicContact CG1-CE 3.95Å; V261-M327 HydrophobicContact CG1-SD 3.38Å; V261-M327 WeakPolarHBondContact CG1-SD 3.33Å
262R54.6Low53Low121 Ų12149.1 Ų49.146%0.45725%0.25SS..Hα-helixtrans-64.2-42.9171.5-77.1-175-179.688-2.5113.2E258 H259 D260 L265 S266 V322E258-R262 PolarHBondContact O-N 3.2Å; H259-R262 PolarHBondContact O-N 3.35Å; D260-R262 VanDerWaalsContact C-N 3.27Å; D260-R262 PolarHBondContact O-N 3.03Å; R262-L265 WeakPolarHBondContact O-CB 3.46Å; R262-L265 PolarHBondContact O-N 3.33Å; R262-S266 PolarHBondContact O-N 3.33Å; R262-V322 HydrophobicContact CB-CG1 4.36Å; R262-V322 HydrophobicContact CG-CG1 3.51Å
263R57.2Low53.5Low118 Ų11852.9 Ų52.945%0.44528%0.276SS..Hα-helixtrans-63-44.9174.9-177.3-178.161.8-164.4-9.6111.1H259 D260 L265 S266 D267H259-R263 PolarHBondContact O-N 3.05Å; H259-R263 VanDerWaalsContact O-N 3.1Å; D260-R263 PolarHBondContact O-N 3.5Å; D260-R263 VanDerWaalsContact O-N 3.14Å; D260-R263 IonicContact OD1-CZ 3.04Å; D260-R263 VanDerWaalsContact OD1-CZ 3.3Å; D260-R263 IonicContact OD1-NE 3.72Å; D260-R263 IonicContact OD1-NH1 3.88Å; D260-R263 IonicContact OD1-NH2 2.74Å; D260-R263 PolarHBondContact OD1-NH2 3.04Å; D260-R263 IonicContact OD2-NH2 3.35Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.89Å; R263-S266 CarbonylContact O-C 3.47Å; R263-S266 WeakPolarHBondContact O-CA 3.48Å; R263-S266 WeakPolarHBondContact O-CB 3.29Å; R263-S266 PolarHBondContact O-N 2.84Å; R263-S266 VanDerWaalsContact O-N 3.12Å; R263-D267 WeakPolarHBondContact O-CB 3.49Å; R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 3Å
264C58.2Low54.4Low23 Ų2353.2 Ų53.216%0.15528%0.277CS..Hα-helixtrans-62.5-36.4176.2-74.70000112.3D260 V261 S268 M327D260-C264 WeakPolarHBondContact O-CB 3.48Å; D260-C264 PolarHBondContact O-N 3.02Å; D260-C264 PolarHBondContact O-SG 3.35Å; V261-C264 PolarHBondContact O-N 2.95Å; C264-S268 WeakPolarHBondContact O-CB 3.47Å; C264-S268 PolarHBondContact O-N 2.99Å; C264-S268 PolarHBondContact O-OG 2.89Å; C264-M327 HydrophobicContact CB-CE 3.62Å
265L56.8Low55.6Low3 Ų354.8 Ų54.82%0.01628%0.283CS..Hα-helixtrans-59.2-52.6170.5179.662.8000110V261 R262 R263 S268 I269 V322 E323 C325 M327 V332V261-L265 WeakPolarHBondContact O-CB 3.39Å; V261-L265 PolarHBondContact O-N 3.06Å; R262-L265 WeakPolarHBondContact O-CB 3.46Å; R262-L265 PolarHBondContact O-N 3.33Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.89Å; L265-S268 PolarHBondContact O-N 3.26Å; L265-I269 HydrophobicContact CD1-CD1 3.43Å; L265-I269 VanDerWaalsContact CD1-CD1 3.43Å; L265-I269 HydrophobicContact CD1-CG1 4.21Å; L265-I269 HydrophobicContact CG-CD1 3.66Å; L265-I269 VanDerWaalsContact O-CB 3.29Å; L265-I269 WeakPolarHBondContact O-CB 3.38Å; L265-I269 WeakPolarHBondContact O-CD1 3.36Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 2.86Å; L265-V322 HydrophobicContact CB-CG1 4.37Å; L265-V322 HydrophobicContact CD2-CB 3.9Å; L265-V322 HydrophobicContact CD2-CG1 3.5Å; L265-V322 VanDerWaalsContact CD2-CG1 3.5Å; L265-V322 WeakPolarHBondContact CD2-O 3.25Å; L265-E323 HydrophobicContact CD2-CB 3.91Å; L265-E323 HydrophobicContact CD2-CG 4.27Å; L265-C325 HydrophobicContact CD1-CB 3.73Å; L265-M327 HydrophobicContact CB-CE 4.32Å; L265-M327 HydrophobicContact CB-SD 3.76Å; L265-M327 HydrophobicContact CD1-SD 4.26Å; L265-V332 HydrophobicContact CD1-CG2 3.48Å; L265-V332 VanDerWaalsContact CD1-CG2 3.48Å
266S58.8Low56.6Low49 Ų4955.2 Ų55.234%0.34329%0.287SS..Hα-helixtrans-57.1-50.8177.4179.50000112.3R262 R263 I269 H270R262-S266 PolarHBondContact O-N 3.33Å; R263-S266 CarbonylContact O-C 3.47Å; R263-S266 WeakPolarHBondContact O-CA 3.48Å; R263-S266 WeakPolarHBondContact O-CB 3.29Å; R263-S266 PolarHBondContact O-N 2.84Å; R263-S266 VanDerWaalsContact O-N 3.12Å; S266-I269 PolarHBondContact O-N 3.28Å; S266-H270 WeakPolarHBondContact O-CB 3.36Å; S266-H270 PolarHBondContact O-N 2.83Å; S266-H270 PolarHBondContact O-ND1 3.41Å; S266-H270 PolarHBondContact OG-CE1 2.73Å; S266-H270 VanDerWaalsContact OG-CE1 3.26Å; S266-H270 PolarHBondContact OG-ND1 2.83Å
267D59.4Low58Low93 Ų9358.7 Ų58.750%0.49730%0.302SS..Hα-helixtrans-65.8-41.6-177.5-67.9-15000111.8R263 I269 A271R263-D267 WeakPolarHBondContact O-CB 3.49Å; R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 3Å; D267-I269 VanDerWaalsContact C-N 3.3Å; D267-I269 PolarHBondContact O-N 3.49Å; D267-A271 PolarHBondContact O-N 3.29Å
268S55.1Low59.7Low17 Ų1760.5 Ų60.512%0.11931%0.31CS..Hα-helixtrans-58.5-47.2173.3-64.40000109.8C264 L265 A271 F272 G330C264-S268 WeakPolarHBondContact O-CB 3.47Å; C264-S268 PolarHBondContact O-N 2.99Å; C264-S268 PolarHBondContact O-OG 2.89Å; L265-S268 PolarHBondContact O-N 3.26Å; S268-A271 WeakPolarHBondContact O-CB 3.39Å; S268-A271 PolarHBondContact O-N 3.18Å; S268-F272 WeakPolarHBondContact O-CD2 3.33Å; S268-F272 WeakPolarHBondContact O-CE2 3.43Å; S268-F272 WeakPolarHBondContact O-CZ 3.13Å; S268-G330 PolarHBondContact OG-O 2.79Å
269I59.7Low61.5Low17 Ų1755.3 Ų55.39%0.08729%0.286CS..Hα-helixtrans-69.1-40.9-176.8-73.3170000112.5L265 S266 D267 A271 F272 V274L265-I269 HydrophobicContact CD1-CD1 3.43Å; L265-I269 VanDerWaalsContact CD1-CD1 3.43Å; L265-I269 HydrophobicContact CD1-CG1 4.21Å; L265-I269 HydrophobicContact CG-CD1 3.66Å; L265-I269 VanDerWaalsContact O-CB 3.29Å; L265-I269 WeakPolarHBondContact O-CB 3.38Å; L265-I269 WeakPolarHBondContact O-CD1 3.36Å; L265-I269 WeakPolarHBondContact O-CG1 3.26Å; L265-I269 PolarHBondContact O-N 2.86Å; S266-I269 PolarHBondContact O-N 3.28Å; D267-I269 VanDerWaalsContact C-N 3.3Å; D267-I269 PolarHBondContact O-N 3.49Å; I269-A271 PolarHBondContact O-N 3.49Å; I269-F272 CarbonylContact O-C 3.54Å; I269-F272 WeakPolarHBondContact O-CA 3.28Å; I269-F272 WeakPolarHBondContact O-CB 3.42Å; I269-F272 PolarHBondContact O-N 3.38Å; I269-V274 VanDerWaalsContact CG2-O 3.31Å; I269-V274 WeakPolarHBondContact CG2-O 3.47Å
270H57.6Low63.3Low152 Ų15251.9 Ų51.970%0.70427%0.274SS*.Hα-helixtrans-64.5-22.9177.6-78.877.7000112.4S266 F272S266-H270 WeakPolarHBondContact O-CB 3.36Å; S266-H270 PolarHBondContact O-N 2.83Å; S266-H270 PolarHBondContact O-ND1 3.41Å; S266-H270 PolarHBondContact OG-CE1 2.73Å; S266-H270 VanDerWaalsContact OG-CE1 3.26Å; S266-H270 PolarHBondContact OG-ND1 2.83Å; H270-F272 PolarHBondContact O-N 3.29Å
271A55Low65Low45 Ų4557.4 Ų57.437%0.37229%0.293SS..THydrogen-bonded Turntrans-70.8-5.1169.900000113.2D267 S268 I269D267-A271 PolarHBondContact O-N 3.29Å; S268-A271 WeakPolarHBondContact O-CB 3.39Å; S268-A271 PolarHBondContact O-N 3.18Å; I269-A271 PolarHBondContact O-N 3.49Å
272F57.5Low66.7Low23 Ų2358.3 Ų58.310%0.10130%0.297CS..SBendtrans-128.5158.7-173.4-48.6-44.6000113.6S268 I269 H270 V274 K334 S362 Y363S268-F272 WeakPolarHBondContact O-CD2 3.33Å; S268-F272 WeakPolarHBondContact O-CE2 3.43Å; S268-F272 WeakPolarHBondContact O-CZ 3.13Å; I269-F272 CarbonylContact O-C 3.54Å; I269-F272 WeakPolarHBondContact O-CA 3.28Å; I269-F272 WeakPolarHBondContact O-CB 3.42Å; I269-F272 PolarHBondContact O-N 3.38Å; H270-F272 PolarHBondContact O-N 3.29Å; F272-V274 HydrophobicContact CB-CG2 3.69Å; F272-V274 HydrophobicContact CD2-CG2 4.17Å; F272-V274 HydrophobicContact CG-CG2 4.27Å; F272-V274 PolarHBondContact O-N 3.11Å; F272-K334 VanDerWaalsContact CE2-CE 3.42Å; F272-S362 VanDerWaalsContact CE1-O 3.3Å; F272-S362 WeakPolarHBondContact CE1-O 3.43Å; F272-S362 WeakPolarHBondContact CZ-O 3.48Å; F272-Y363 HydrophobicContact CD1-CD1 4.49Å; F272-Y363 AromaticContact CE1-CD1 3.99Å; F272-Y363 HydrophobicContact CE1-CD1 3.99Å; F272-Y363 HydrophobicContact CE1-CG 4.25Å
273P58.5Low68.3Low89 Ų8952.6 Ų52.658%0.57828%0.275SS*.SBendtrans-83.713.8169.535.6-34.8000112Q345P273-Q345 VanDerWaalsContact CD-OE1 3.25Å
274V66.8Low69.8Low10 Ų1050 Ų506%0.06128%0.279CS..SBendtrans-111.3128.9178-59.90000108.3I269 F272 L278 V279 L338I269-V274 VanDerWaalsContact CG2-O 3.31Å; I269-V274 WeakPolarHBondContact CG2-O 3.47Å; F272-V274 HydrophobicContact CB-CG2 3.69Å; F272-V274 HydrophobicContact CD2-CG2 4.17Å; F272-V274 HydrophobicContact CG-CG2 4.27Å; F272-V274 PolarHBondContact O-N 3.11Å; V274-L278 HydrophobicContact CB-CD2 3.85Å; V274-L278 HydrophobicContact CB-CG 4.5Å; V274-L278 HydrophobicContact CG1-CD2 3.73Å; V274-V279 HydrophobicContact CB-CG2 4.32Å; V274-V279 HydrophobicContact CG2-CG2 3.76Å; V274-L338 HydrophobicContact CG1-CD1 4.49Å; V274-L338 HydrophobicContact CG1-CD2 4.26Å
275T71.8Confident71.3Confident71 Ų7154 Ų5444%0.43630%0.295SS..  trans-81.9165.1177.970.50000111.3E277 L278 V279T275-E277 WeakPolarHBondContact CB-OE2 3.29Å; T275-E277 PolarHBondContact O-N 3.4Å; T275-E277 PolarHBondContact OG1-OE2 3.34Å; T275-L278 PolarHBondContact O-N 3.07Å; T275-L278 VanDerWaalsContact O-N 3.16Å; T275-L278 PolarHBondContact OG1-N 3.15Å; T275-V279 PolarHBondContact O-N 3.21Å
276S72.2Confident72.8Confident22 Ų2255 Ų5515%0.15430%0.301CS..Hα-helixtrans-56.9-39173.737.80000111L278 V279 S280 C325S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact O-N 3.32Å; S276-V279 PolarHBondContact O-N 3.19Å; S276-S280 VanDerWaalsContact O-CB 3.3Å; S276-S280 WeakPolarHBondContact O-CB 3.48Å; S276-S280 PolarHBondContact O-N 2.88Å; S276-C325 PolarHBondContact O-SG 3.35Å
277E77.3Confident74.2Confident130 Ų13058.3 Ų58.361%0.60732%0.319SS*.Hα-helixtrans-65.1-38.9179.4-52.988.4-176.400111.6T275 R281T275-E277 WeakPolarHBondContact CB-OE2 3.29Å; T275-E277 PolarHBondContact O-N 3.4Å; T275-E277 PolarHBondContact OG1-OE2 3.34Å; E277-R281 VanDerWaalsContact O-CB 3.28Å; E277-R281 WeakPolarHBondContact O-CB 3.11Å; E277-R281 PolarHBondContact O-N 3.32Å
278L81Confident75.6Confident41 Ų4154.6 Ų54.622%0.21530%0.299CS..Hα-helixtrans-66-46.7176.4178.560.5000111.1V274 T275 S276 R281 E282 L338V274-L278 HydrophobicContact CB-CD2 3.85Å; V274-L278 HydrophobicContact CB-CG 4.5Å; V274-L278 HydrophobicContact CG1-CD2 3.73Å; T275-L278 PolarHBondContact O-N 3.07Å; T275-L278 VanDerWaalsContact O-N 3.16Å; T275-L278 PolarHBondContact OG1-N 3.15Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact O-N 3.32Å; L278-R281 PolarHBondContact O-N 3.45Å; L278-E282 HydrophobicContact CD1-CG 3.93Å; L278-E282 HydrophobicContact CG-CG 4.45Å; L278-E282 WeakPolarHBondContact O-CB 3.13Å; L278-E282 VanDerWaalsContact O-CG 3.29Å; L278-E282 WeakPolarHBondContact O-CG 3.42Å; L278-E282 PolarHBondContact O-N 3.39Å; L278-L338 HydrophobicContact CD2-CD2 4.29Å; L278-L338 HydrophobicContact CG-CD1 4.42Å; L278-L338 HydrophobicContact CG-CD2 4.4Å
279V82.8Confident77.2Confident3 Ų354.1 Ų54.12%0.01830%0.295CS..Hα-helixtrans-62.3-47.1178.5178.60000110.5V274 T275 S276 R281 E282 T283 C325 V332 L338V274-V279 HydrophobicContact CB-CG2 4.32Å; V274-V279 HydrophobicContact CG2-CG2 3.76Å; T275-V279 PolarHBondContact O-N 3.21Å; S276-V279 PolarHBondContact O-N 3.19Å; V279-R281 VanDerWaalsContact C-N 3.34Å; V279-R281 PolarHBondContact O-N 2.85Å; V279-E282 PolarHBondContact O-N 2.94Å; V279-T283 VanDerWaalsContact O-CB 3.28Å; V279-T283 WeakPolarHBondContact O-CB 3.4Å; V279-T283 PolarHBondContact O-N 3.46Å; V279-T283 PolarHBondContact O-OG1 2.92Å; V279-C325 HydrophobicContact CG1-CB 4.47Å; V279-V332 HydrophobicContact CG1-CG1 3.7Å; V279-L338 HydrophobicContact CB-CD1 4.43Å; V279-L338 HydrophobicContact CG2-CD1 3.9Å
280S85.7Confident78.5Confident32 Ų3254.3 Ų54.322%0.22430%0.299CS..Hα-helixtrans-59-44.1178178.80000112.2S276 T283 A284 G324S276-S280 VanDerWaalsContact O-CB 3.3Å; S276-S280 WeakPolarHBondContact O-CB 3.48Å; S276-S280 PolarHBondContact O-N 2.88Å; S280-T283 WeakPolarHBondContact O-CB 3.17Å; S280-T283 PolarHBondContact O-N 3.41Å; S280-A284 PolarHBondContact O-N 3.01Å; S280-G324 WeakPolarHBondContact OG-CA 3.3Å; S280-G324 PolarHBondContact OG-O 2.99Å
281R87.1Confident79.9Confident141 Ų14150.5 Ų50.553%0.53228%0.282SS..Hα-helixtrans-61.5-49.2176.7-175.9175.768-153.82.7111.8E277 L278 V279 T283 A284 E285E277-R281 VanDerWaalsContact O-CB 3.28Å; E277-R281 WeakPolarHBondContact O-CB 3.11Å; E277-R281 PolarHBondContact O-N 3.32Å; L278-R281 PolarHBondContact O-N 3.45Å; V279-R281 VanDerWaalsContact C-N 3.34Å; V279-R281 PolarHBondContact O-N 2.85Å; R281-T283 VanDerWaalsContact C-N 3.3Å; R281-T283 PolarHBondContact O-N 3.13Å; R281-A284 PolarHBondContact O-N 3.45Å; R281-A284 VanDerWaalsContact O-N 3.16Å; R281-E285 PolarHBondContact O-N 3.18Å
282E87.5Confident81.4Confident25 Ų2548.4 Ų48.412%0.11726%0.264CS..Hα-helixtrans-69-29.5179.8-64.2-64154.800112.1L278 V279 E285 D286 P335 K337 L338L278-E282 HydrophobicContact CD1-CG 3.93Å; L278-E282 HydrophobicContact CG-CG 4.45Å; L278-E282 WeakPolarHBondContact O-CB 3.13Å; L278-E282 VanDerWaalsContact O-CG 3.29Å; L278-E282 WeakPolarHBondContact O-CG 3.42Å; L278-E282 PolarHBondContact O-N 3.39Å; V279-E282 PolarHBondContact O-N 2.94Å; E282-E285 PolarHBondContact O-N 3.45Å; E282-D286 WeakPolarHBondContact O-CB 3.41Å; E282-D286 PolarHBondContact O-N 3.26Å; E282-P335 HydrophobicContact CB-CB 3.92Å; E282-P335 HydrophobicContact CB-CG 3.74Å; E282-K337 WeakPolarHBondContact OE2-CD 3.37Å; E282-K337 IonicContact OE2-NZ 3.21Å; E282-K337 PolarHBondContact OE2-NZ 3.37Å; E282-L338 HydrophobicContact CB-CD1 4.15Å; E282-L338 HydrophobicContact CB-CG 4.35Å; E282-L338 HydrophobicContact CG-CD1 4.14Å; E282-L338 HydrophobicContact CG-CD2 4.2Å; E282-L338 HydrophobicContact CG-CG 4.18Å
283T88.7Confident82.8Confident0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-64.5-39.5170.7-70.10000111.3V279 S280 R281 E285 L289 A290 I326 P335V279-T283 VanDerWaalsContact O-CB 3.28Å; V279-T283 WeakPolarHBondContact O-CB 3.4Å; V279-T283 PolarHBondContact O-N 3.46Å; V279-T283 PolarHBondContact O-OG1 2.92Å; S280-T283 WeakPolarHBondContact O-CB 3.17Å; S280-T283 PolarHBondContact O-N 3.41Å; R281-T283 VanDerWaalsContact C-N 3.3Å; R281-T283 PolarHBondContact O-N 3.13Å; T283-E285 VanDerWaalsContact C-N 3.34Å; T283-L289 HydrophobicContact CG2-CB 3.99Å; T283-A290 PolarHBondContact O-N 2.99Å; T283-I326 HydrophobicContact CG2-CD1 3.85Å; T283-I326 HydrophobicContact CG2-CG1 4.09Å; T283-P335 WeakPolarHBondContact OG1-CG 3.28Å
284A88.1Confident84.1Confident63 Ų6352 Ų5252%0.52127%0.272SS..Hα-helixtrans-71.3-28.517600000113S280 R281S280-A284 PolarHBondContact O-N 3.01Å; R281-A284 PolarHBondContact O-N 3.45Å; R281-A284 VanDerWaalsContact O-N 3.16Å
285E89.8Confident84.9Confident108 Ų10852.4 Ų52.451%0.50528%0.275SS..Hα-helixtrans-81.9-27.2174.7-70.9-173-170.800113.9R281 E282 T283 T287 K337R281-E285 PolarHBondContact O-N 3.18Å; E282-E285 PolarHBondContact O-N 3.45Å; T283-E285 VanDerWaalsContact C-N 3.34Å; E285-T287 PolarHBondContact O-N 2.99Å; E285-K337 IonicContact OE2-NZ 2.74Å; E285-K337 PolarHBondContact OE2-NZ 3.5Å
286D89.4Confident85.4Confident25 Ų2550.9 Ų50.913%0.13426%0.264CS..SBendtrans-72.1116.5176.8-174.3-52.3000109.7E282 I288 L289 A290 P335 R336E282-D286 WeakPolarHBondContact O-CB 3.41Å; E282-D286 PolarHBondContact O-N 3.26Å; D286-I288 PolarHBondContact O-N 3.04Å; D286-I288 PolarHBondContact OD1-N 3.2Å; D286-L289 HydrophobicContact CB-CB 4.04Å; D286-L289 HydrophobicContact CB-CD1 4.27Å; D286-L289 HydrophobicContact CB-CG 4.21Å; D286-L289 PolarHBondContact O-N 3.4Å; D286-L289 PolarHBondContact OD1-N 3.49Å; D286-L289 VanDerWaalsContact OD1-N 3.11Å; D286-A290 WeakPolarHBondContact O-CB 3.33Å; D286-A290 PolarHBondContact O-N 2.88Å; D286-P335 HydrophobicContact CB-CB 4.37Å; D286-R336 PolarHBondContact OD2-N 3.28Å
287T86.9Confident85.6Confident117 Ų11754.8 Ų54.872%0.71829%0.287SS*.Hα-helixtrans-57.3-35.6-174.151.80000113.1E285E285-T287 PolarHBondContact O-N 2.99Å
288I88.2Confident85.7Confident16 Ų1650.7 Ų50.78%0.08228%0.279CS..Hα-helixtrans-78.6-49.3-179.4-56.8171.8000109.3D286 A290 E291 V292 Q308 L309 F312D286-I288 PolarHBondContact O-N 3.04Å; D286-I288 PolarHBondContact OD1-N 3.2Å; I288-A290 PolarHBondContact O-N 3.43Å; I288-E291 PolarHBondContact O-N 3.32Å; I288-V292 HydrophobicContact CG2-CG2 4.5Å; I288-V292 WeakPolarHBondContact O-CG2 3.36Å; I288-V292 PolarHBondContact O-N 2.86Å; I288-Q308 HydrophobicContact CD1-CB 4.2Å; I288-L309 HydrophobicContact CG2-CD2 4.1Å; I288-F312 HydrophobicContact CG2-CE2 4.03Å
289L88.6Confident85.5Confident7 Ų756.1 Ų56.14%0.03731%0.309CS..Hα-helixtrans-69.2-34.5-176.2-62.2-177000112.5T283 D286 E291 V292 L293 F312 I326 V333 P335T283-L289 HydrophobicContact CG2-CB 3.99Å; D286-L289 HydrophobicContact CB-CB 4.04Å; D286-L289 HydrophobicContact CB-CD1 4.27Å; D286-L289 HydrophobicContact CB-CG 4.21Å; D286-L289 PolarHBondContact O-N 3.4Å; D286-L289 PolarHBondContact OD1-N 3.49Å; D286-L289 VanDerWaalsContact OD1-N 3.11Å; L289-E291 PolarHBondContact O-N 3.37Å; L289-V292 PolarHBondContact O-N 3.4Å; L289-L293 WeakPolarHBondContact O-CB 3.43Å; L289-L293 PolarHBondContact O-N 3.27Å; L289-F312 HydrophobicContact CD2-CE1 4.04Å; L289-F312 HydrophobicContact CD2-CZ 3.74Å; L289-I326 HydrophobicContact CB-CD1 3.99Å; L289-I326 HydrophobicContact CD2-CD1 4.2Å; L289-I326 WeakPolarHBondContact O-CD1 3.28Å; L289-V333 HydrophobicContact CD1-CG1 4.39Å; L289-V333 HydrophobicContact CD2-CG1 3.73Å; L289-P335 HydrophobicContact CD1-CB 4.05Å; L289-P335 HydrophobicContact CD1-CG 3.86Å
290A88.2Confident85.1Confident20 Ų2058 Ų5817%0.16532%0.315CS..Hα-helixtrans-61.4-35.6173.400000111.7T283 D286 I288 K294T283-A290 PolarHBondContact O-N 2.99Å; D286-A290 WeakPolarHBondContact O-CB 3.33Å; D286-A290 PolarHBondContact O-N 2.88Å; I288-A290 PolarHBondContact O-N 3.43Å; A290-K294 WeakPolarHBondContact O-CG 3.31Å; A290-K294 PolarHBondContact O-N 2.86Å
291E87Confident84.3Confident73 Ų7358.6 Ų58.634%0.34132%0.322SS..Hα-helixtrans-72.8-41.6174.4-165.6172.9-173.300111.6I288 L289 L293 K294 C295 L309I288-E291 PolarHBondContact O-N 3.32Å; L289-E291 PolarHBondContact O-N 3.37Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.33Å; E291-K294 WeakPolarHBondContact O-CB 3.48Å; E291-K294 PolarHBondContact O-N 3.35Å; E291-C295 PolarHBondContact O-N 3.45Å; E291-C295 PolarHBondContact O-SG 2.83Å; E291-C295 VanDerWaalsContact O-SG 3.35Å; E291-L309 HydrophobicContact CB-CD2 4.26Å; E291-L309 HydrophobicContact CG-CD1 3.92Å; E291-L309 HydrophobicContact CG-CD2 4.36Å
292V86.7Confident83.2Confident0 Ų061 Ų610%034%0.337CS..Hα-helixtrans-58.1-43.3171.9174.50000111.2I288 L289 K294 C295 I296 W300 L309 F312 L319 I326I288-V292 HydrophobicContact CG2-CG2 4.5Å; I288-V292 WeakPolarHBondContact O-CG2 3.36Å; I288-V292 PolarHBondContact O-N 2.86Å; L289-V292 PolarHBondContact O-N 3.4Å; V292-K294 VanDerWaalsContact C-N 3.32Å; V292-K294 PolarHBondContact O-N 3.43Å; V292-C295 PolarHBondContact O-N 3.41Å; V292-C295 VanDerWaalsContact O-N 3.11Å; V292-I296 HydrophobicContact CG1-CD1 3.65Å; V292-I296 HydrophobicContact CG1-CG1 4.2Å; V292-I296 VanDerWaalsContact O-CG1 3.3Å; V292-I296 WeakPolarHBondContact O-CG1 3.45Å; V292-I296 PolarHBondContact O-N 3.4Å; V292-W300 HydrophobicContact CG1-CH2 4.11Å; V292-L309 HydrophobicContact CG2-CD2 3.46Å; V292-L309 VanDerWaalsContact CG2-CD2 3.46Å; V292-F312 HydrophobicContact CG1-CB 4.24Å; V292-F312 HydrophobicContact CG1-CD1 4.15Å; V292-F312 HydrophobicContact CG1-CG 4.25Å; V292-F312 HydrophobicContact CG2-CB 3.91Å; V292-F312 HydrophobicContact CG2-CD1 4.13Å; V292-F312 HydrophobicContact CG2-CD2 3.67Å; V292-F312 HydrophobicContact CG2-CE2 4.18Å; V292-F312 HydrophobicContact CG2-CG 3.64Å; V292-L319 HydrophobicContact CG1-CD1 4.22Å; V292-I326 HydrophobicContact CB-CD1 4.04Å; V292-I326 HydrophobicContact CG1-CD1 3.87Å
293L86.2Confident81.7Confident36 Ų3665.1 Ų65.119%0.18837%0.366CS..Hα-helixtrans-59.1-43.4177.9-17467000111.3L289 E291 T297 V321 I326L289-L293 WeakPolarHBondContact O-CB 3.43Å; L289-L293 PolarHBondContact O-N 3.27Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 3.33Å; L293-T297 WeakPolarHBondContact O-CG2 3.39Å; L293-T297 PolarHBondContact O-N 3.04Å; L293-T297 VanDerWaalsContact O-N 3.12Å; L293-T297 PolarHBondContact O-OG1 3.05Å; L293-V321 HydrophobicContact CD1-CB 4.21Å; L293-V321 HydrophobicContact CD1-CG1 3.5Å; L293-V321 VanDerWaalsContact CD1-CG1 3.5Å; L293-V321 HydrophobicContact CD1-CG2 3.58Å; L293-I326 HydrophobicContact CB-CD1 4.22Å; L293-I326 HydrophobicContact CB-CG1 4.44Å; L293-I326 HydrophobicContact CD1-CG1 4.01Å
294K85.8Confident80.4Confident152 Ų15266 Ų6666%0.66137%0.372SS*.Hα-helixtrans-65-39.4173.5-70.8172.9-175.6176.70112.1A290 E291 V292 T297 G298A290-K294 WeakPolarHBondContact O-CG 3.31Å; A290-K294 PolarHBondContact O-N 2.86Å; E291-K294 WeakPolarHBondContact O-CB 3.48Å; E291-K294 PolarHBondContact O-N 3.35Å; V292-K294 VanDerWaalsContact C-N 3.32Å; V292-K294 PolarHBondContact O-N 3.43Å; K294-T297 PolarHBondContact O-OG1 2.9Å; K294-G298 WeakPolarHBondContact O-CA 3.5Å; K294-G298 PolarHBondContact O-N 2.75Å
295C84.2Confident79.2Confident18 Ų1868.6 Ų68.612%0.12238%0.38CS..Hα-helixtrans-68.7-35.2178.1-69.80000113.5E291 V292 G298 N299 W300E291-C295 PolarHBondContact O-N 3.45Å; E291-C295 PolarHBondContact O-SG 2.83Å; E291-C295 VanDerWaalsContact O-SG 3.35Å; V292-C295 PolarHBondContact O-N 3.41Å; V292-C295 VanDerWaalsContact O-N 3.11Å; C295-G298 CarbonylContact O-C 3.56Å; C295-N299 CarbonylContact O-C 3.41Å; C295-W300 HydrophobicContact CB-CD2 3.69Å; C295-W300 HydrophobicContact CB-CE3 3.69Å; C295-W300 HydrophobicContact CB-CG 4.25Å; C295-W300 HydrophobicContact CB-CH2 4.13Å; C295-W300 HydrophobicContact CB-CZ2 4.1Å; C295-W300 HydrophobicContact CB-CZ3 3.93Å; C295-W300 PolarHBondContact O-NE1 2.98Å
296I81.4Confident78.3Confident40 Ų4065.1 Ų65.121%0.20537%0.368CS..Hα-helixtrans-72.9-41.6177.6-61.7161.2000111.1V292 W300 L319 V321 I326V292-I296 HydrophobicContact CG1-CD1 3.65Å; V292-I296 HydrophobicContact CG1-CG1 4.2Å; V292-I296 VanDerWaalsContact O-CG1 3.3Å; V292-I296 WeakPolarHBondContact O-CG1 3.45Å; V292-I296 PolarHBondContact O-N 3.4Å; I296-W300 HydrophobicContact CG1-CZ2 3.81Å; I296-L319 HydrophobicContact CD1-CB 3.82Å; I296-L319 HydrophobicContact CD1-CD1 4.18Å; I296-L319 HydrophobicContact CD1-CG 4.49Å; I296-L319 HydrophobicContact CG1-CB 4.17Å; I296-L319 HydrophobicContact CG1-CD1 4.47Å; I296-V321 HydrophobicContact CB-CG2 3.92Å; I296-V321 HydrophobicContact CD1-CG2 3.93Å; I296-V321 HydrophobicContact CG2-CG2 3.66Å; I296-I326 HydrophobicContact CD1-CG1 4.37Å; I296-I326 HydrophobicContact CD1-CG2 3.86Å
297T77.4Confident77.6Confident104 Ų10473.5 Ų73.564%0.63840%0.403SS*.Hα-helixtrans-77.6-27.2-179.8510000113.1L293 K294 V321L293-T297 WeakPolarHBondContact O-CG2 3.39Å; L293-T297 PolarHBondContact O-N 3.04Å; L293-T297 VanDerWaalsContact O-N 3.12Å; L293-T297 PolarHBondContact O-OG1 3.05Å; K294-T297 PolarHBondContact O-OG1 2.9Å; T297-V321 HydrophobicContact CG2-CG2 4.48Å
298G79.5Confident77.3Confident43 Ų4373.4 Ų73.444%0.44340%0.395SS..SBendtrans-104.8-133.9172.300000112.2K294 C295K294-G298 WeakPolarHBondContact O-CA 3.5Å; K294-G298 PolarHBondContact O-N 2.75Å; C295-G298 CarbonylContact O-C 3.56Å
299N76.2Confident76.9Confident155 Ų15572.7 Ų72.783%0.82939%0.391SS*.  trans-111.6138.3176.2-72.5-47000110.4C295 A301C295-N299 CarbonylContact O-C 3.41Å; N299-A301 PolarHBondContact O-N 3.31Å
300W75Confident76.4Confident43 Ų4374.9 Ų74.916%0.16340%0.401CS..  trans-67.6122.4166.1-70.384.6000109.7V292 C295 I296 K302 F312 F313 R316 L319V292-W300 HydrophobicContact CG1-CH2 4.11Å; C295-W300 HydrophobicContact CB-CD2 3.69Å; C295-W300 HydrophobicContact CB-CE3 3.69Å; C295-W300 HydrophobicContact CB-CG 4.25Å; C295-W300 HydrophobicContact CB-CH2 4.13Å; C295-W300 HydrophobicContact CB-CZ2 4.1Å; C295-W300 HydrophobicContact CB-CZ3 3.93Å; C295-W300 PolarHBondContact O-NE1 2.98Å; I296-W300 HydrophobicContact CG1-CZ2 3.81Å; W300-K302 PolarHBondContact O-N 2.99Å; W300-F312 HydrophobicContact CH2-CB 3.75Å; W300-F312 HydrophobicContact CZ3-CB 4.33Å; W300-F313 HydrophobicContact CB-CD2 3.92Å; W300-F313 HydrophobicContact CB-CE2 3.88Å; W300-F313 AromaticContact CD2-CD2 3.92Å; W300-F313 HydrophobicContact CD2-CD2 3.92Å; W300-F313 HydrophobicContact CE3-CB 3.9Å; W300-F313 AromaticContact CE3-CD2 3.59Å; W300-F313 HydrophobicContact CE3-CD2 3.59Å; W300-F313 HydrophobicContact CE3-CG 4.25Å; W300-F313 HydrophobicContact CG-CD2 4.1Å; W300-F313 HydrophobicContact CG-CE2 4.43Å; W300-F313 HydrophobicContact CZ3-CB 3.84Å; W300-F313 HydrophobicContact CZ3-CD2 4.39Å; W300-R316 HydrophobicContact CD2-CB 4.21Å; W300-R316 HydrophobicContact CZ2-CB 3.85Å; W300-L319 HydrophobicContact CH2-CD1 4.14Å; W300-L319 HydrophobicContact CZ2-CD1 3.9Å
301A68.1Low75.8Confident45 Ų4577.5 Ų77.537%0.37242%0.416SS..  trans-59.2135.3169.100000109.8N299 P303 V305N299-A301 PolarHBondContact O-N 3.31Å; A301-P303 CarbonylContact C-O 3.55Å; A301-P303 CarbonylContact O-C 3.57Å; A301-P303 VanDerWaalsContact O-C 3.24Å; A301-V305 HydrophobicContact CB-CG2 4.21Å
302K65.3Low75.5Confident192 Ų19275.7 Ų75.784%0.83541%0.408SS*.SBendtrans-107.8119.5173.2-67.5179-176.6173.90108.2W300W300-K302 PolarHBondContact O-N 2.99Å
303P54.9Low75.1Confident111 Ų11176.7 Ų76.772%0.72141%0.412SS*.SBendcis-71.3167.2-18.832.4-33.6000111.9A301A301-P303 CarbonylContact C-O 3.55Å; A301-P303 CarbonylContact O-C 3.57Å; A301-P303 VanDerWaalsContact O-C 3.24Å
304P61.5Low74.3Confident19 Ų1978 Ų7812%0.12342%0.419CS..  trans-63.1141.8179.624.8-33.7000111.9S306 L309 F313P304-S306 VanDerWaalsContact C-N 3.27Å; P304-S306 PolarHBondContact O-N 3.01Å; P304-L309 HydrophobicContact CB-CB 4.31Å; P304-F313 HydrophobicContact CB-CB 4.42Å; P304-F313 HydrophobicContact CG-CB 4.25Å; P304-F313 HydrophobicContact CG-CD1 4.3Å; P304-F313 HydrophobicContact CG-CG 4.18Å
305V62.4Low73.6Confident116 Ų11677.9 Ų77.970%0.70341%0.414SS*.SBendtrans-64.8-28.8-172.2-175.90000112.6A301A301-V305 HydrophobicContact CB-CG2 4.21Å
306S71.3Confident73.3Confident36 Ų3680.3 Ų80.325%0.25242%0.421SS..SBendtrans-132.3146.5-177.492.70000113.3P304 Q308 L309P304-S306 VanDerWaalsContact C-N 3.27Å; P304-S306 PolarHBondContact O-N 3.01Å; S306-Q308 PolarHBondContact O-N 3.4Å; S306-Q308 VanDerWaalsContact O-N 3.12Å; S306-Q308 PolarHBondContact OG-N 3.22Å; S306-L309 PolarHBondContact O-N 3.14Å; S306-L309 VanDerWaalsContact O-N 3.11Å; S306-L309 PolarHBondContact OG-N 2.89Å
307K75.8Confident72.7Confident201 Ų20183.8 Ų83.887%0.87444%0.44SS*.THydrogen-bonded Turntrans-57.4-23.9172.2-70-173.5178.4-177.60112.6Q310K307-Q310 WeakPolarHBondContact O-CB 3.33Å
308Q79.4Confident72.5Confident114 Ų11480.6 Ų80.653%0.53343%0.425SS..THydrogen-bonded Turntrans-76.6-26.6-179.8-64.5-178.1-5.600112.8I288 S306 P311I288-Q308 HydrophobicContact CD1-CB 4.2Å; S306-Q308 PolarHBondContact O-N 3.4Å; S306-Q308 VanDerWaalsContact O-N 3.12Å; S306-Q308 PolarHBondContact OG-N 3.22Å; Q308-P311 WeakPolarHBondContact O-CD 3.05Å
309L79.8Confident72.4Confident2 Ų279.3 Ų79.31%0.0141%0.408CS..THydrogen-bonded Turntrans-82.7-18175.5-65.9175.7000113.3I288 E291 V292 P304 S306 P311 F312 F313I288-L309 HydrophobicContact CG2-CD2 4.1Å; E291-L309 HydrophobicContact CB-CD2 4.26Å; E291-L309 HydrophobicContact CG-CD1 3.92Å; E291-L309 HydrophobicContact CG-CD2 4.36Å; V292-L309 HydrophobicContact CG2-CD2 3.46Å; V292-L309 VanDerWaalsContact CG2-CD2 3.46Å; P304-L309 HydrophobicContact CB-CB 4.31Å; S306-L309 PolarHBondContact O-N 3.14Å; S306-L309 VanDerWaalsContact O-N 3.11Å; S306-L309 PolarHBondContact OG-N 2.89Å; L309-P311 VanDerWaalsContact C-CD 3.42Å; L309-P311 VanDerWaalsContact C-N 3.35Å; L309-F312 PolarHBondContact O-N 3.33Å; L309-F313 PolarHBondContact O-N 2.84Å
310Q77.5Confident72.5Confident52 Ų5273.6 Ų73.624%0.24338%0.38CS..Hα-helixtrans-51.5-44.1-176.5-165.270.446.700113.7K307 F312 F313 N314K307-Q310 WeakPolarHBondContact O-CB 3.33Å; Q310-F312 VanDerWaalsContact C-N 3.3Å; Q310-F312 PolarHBondContact O-N 2.96Å; Q310-F313 PolarHBondContact O-N 3.23Å; Q310-N314 PolarHBondContact NE2-OD1 2.9Å; Q310-N314 WeakPolarHBondContact O-CB 3.4Å; Q310-N314 PolarHBondContact O-N 3.1Å; Q310-N314 PolarHBondContact O-OD1 3.42Å
311P76.9Confident72.8Confident75 Ų7573.8 Ų73.849%0.48739%0.386SS..Hα-helixtrans-62-36.1178.2-22.335000113.2Q308 L309 R315Q308-P311 WeakPolarHBondContact O-CD 3.05Å; L309-P311 VanDerWaalsContact C-CD 3.42Å; L309-P311 VanDerWaalsContact C-N 3.35Å; P311-R315 PolarHBondContact O-N 3.11Å
312F80.4Confident73.1Confident36 Ų3672.4 Ų72.416%0.15837%0.372CS..Hα-helixtrans-74.6-42.1177.7-62.2-82.1000111.4I288 L289 V292 W300 L309 Q310 N314 R315 R316 L319 M328 V333I288-F312 HydrophobicContact CG2-CE2 4.03Å; L289-F312 HydrophobicContact CD2-CE1 4.04Å; L289-F312 HydrophobicContact CD2-CZ 3.74Å; V292-F312 HydrophobicContact CG1-CB 4.24Å; V292-F312 HydrophobicContact CG1-CD1 4.15Å; V292-F312 HydrophobicContact CG1-CG 4.25Å; V292-F312 HydrophobicContact CG2-CB 3.91Å; V292-F312 HydrophobicContact CG2-CD1 4.13Å; V292-F312 HydrophobicContact CG2-CD2 3.67Å; V292-F312 HydrophobicContact CG2-CE2 4.18Å; V292-F312 HydrophobicContact CG2-CG 3.64Å; W300-F312 HydrophobicContact CH2-CB 3.75Å; W300-F312 HydrophobicContact CZ3-CB 4.33Å; L309-F312 PolarHBondContact O-N 3.33Å; Q310-F312 VanDerWaalsContact C-N 3.3Å; Q310-F312 PolarHBondContact O-N 2.96Å; F312-N314 VanDerWaalsContact C-N 3.32Å; F312-N314 PolarHBondContact O-N 2.98Å; F312-R315 CarbonylContact O-C 3.57Å; F312-R315 VanDerWaalsContact O-C 3.28Å; F312-R315 PolarHBondContact O-N 2.9Å; F312-R316 WeakPolarHBondContact O-CA 3.44Å; F312-R316 PolarHBondContact O-N 3.19Å; F312-L319 HydrophobicContact CB-CD1 3.92Å; F312-L319 HydrophobicContact CD1-CD1 4.17Å; F312-L319 WeakPolarHBondContact O-CD1 3.45Å; F312-M328 HydrophobicContact CD1-CE 4.5Å; F312-V333 HydrophobicContact CE1-CG1 3.94Å; F312-V333 HydrophobicContact CZ-CG1 4.48Å
313F77.7Confident73.6Confident20 Ų2068.9 Ų68.99%0.08836%0.359CS..Hα-helixtrans-60.1-41.1175.9177.4-98.7000112.4W300 P304 L309 Q310 R315 R316W300-F313 HydrophobicContact CB-CD2 3.92Å; W300-F313 HydrophobicContact CB-CE2 3.88Å; W300-F313 AromaticContact CD2-CD2 3.92Å; W300-F313 HydrophobicContact CD2-CD2 3.92Å; W300-F313 HydrophobicContact CE3-CB 3.9Å; W300-F313 AromaticContact CE3-CD2 3.59Å; W300-F313 HydrophobicContact CE3-CD2 3.59Å; W300-F313 HydrophobicContact CE3-CG 4.25Å; W300-F313 HydrophobicContact CG-CD2 4.1Å; W300-F313 HydrophobicContact CG-CE2 4.43Å; W300-F313 HydrophobicContact CZ3-CB 3.84Å; W300-F313 HydrophobicContact CZ3-CD2 4.39Å; P304-F313 HydrophobicContact CB-CB 4.42Å; P304-F313 HydrophobicContact CG-CB 4.25Å; P304-F313 HydrophobicContact CG-CD1 4.3Å; P304-F313 HydrophobicContact CG-CG 4.18Å; L309-F313 PolarHBondContact O-N 2.84Å; Q310-F313 PolarHBondContact O-N 3.23Å; F313-R315 PolarHBondContact O-N 3.32Å; F313-R316 WeakPolarHBondContact O-CB 3.36Å; F313-R316 WeakPolarHBondContact O-CD 3.32Å; F313-R316 VanDerWaalsContact O-CG 3.28Å; F313-R316 WeakPolarHBondContact O-CG 3.38Å; F313-R316 PolarHBondContact O-N 3.44Å; F313-R316 PolarHBondContact O-NH1 2.78Å
314N70.6Confident74.7Confident65 Ų6564.7 Ų64.735%0.34834%0.336SS..Hα-helixtrans-62.6-28.9177.5-69.2-2.6000111.7Q310 F312Q310-N314 PolarHBondContact NE2-OD1 2.9Å; Q310-N314 WeakPolarHBondContact O-CB 3.4Å; Q310-N314 PolarHBondContact O-N 3.1Å; Q310-N314 PolarHBondContact O-OD1 3.42Å; F312-N314 VanDerWaalsContact C-N 3.32Å; F312-N314 PolarHBondContact O-N 2.98Å
315R71Confident75.7Confident148 Ų14863.8 Ų63.856%0.55833%0.33SS*.THydrogen-bonded Turntrans-107.115.5179.2-60.1-175.7-175.5-161.91.3113.5P311 F312 F313 N317 A318 L319 M328P311-R315 PolarHBondContact O-N 3.11Å; F312-R315 CarbonylContact O-C 3.57Å; F312-R315 VanDerWaalsContact O-C 3.28Å; F312-R315 PolarHBondContact O-N 2.9Å; F313-R315 PolarHBondContact O-N 3.32Å; R315-N317 PolarHBondContact O-N 3.12Å; R315-N317 VanDerWaalsContact O-N 3.09Å; R315-A318 WeakPolarHBondContact O-CA 3.17Å; R315-A318 WeakPolarHBondContact O-CB 3.33Å; R315-A318 PolarHBondContact O-N 3.17Å; R315-L319 PolarHBondContact O-N 2.77Å; R315-M328 HydrophobicContact CB-CE 4.44Å
316R76.8Confident76.7Confident69 Ų6958.2 Ų58.226%0.2630%0.296SS..G310 helixtrans-55.2-34.6-171.468.9-167.7177.5-71.9-9.7114.3W300 F312 F313 A318 L319W300-R316 HydrophobicContact CD2-CB 4.21Å; W300-R316 HydrophobicContact CZ2-CB 3.85Å; F312-R316 WeakPolarHBondContact O-CA 3.44Å; F312-R316 PolarHBondContact O-N 3.19Å; F313-R316 WeakPolarHBondContact O-CB 3.36Å; F313-R316 WeakPolarHBondContact O-CD 3.32Å; F313-R316 VanDerWaalsContact O-CG 3.28Å; F313-R316 WeakPolarHBondContact O-CG 3.38Å; F313-R316 PolarHBondContact O-N 3.44Å; F313-R316 PolarHBondContact O-NH1 2.78Å; R316-A318 PolarHBondContact O-N 2.69Å; R316-L319 PolarHBondContact O-N 2.8Å; R316-L319 VanDerWaalsContact O-N 3.14Å
317N70Confident77.1Confident113 Ų11356.6 Ų56.660%0.60429%0.285SS*.G310 helixtrans-70.1-13.6178.4-63.3-7.4000113.2R315R315-N317 PolarHBondContact O-N 3.12Å; R315-N317 VanDerWaalsContact O-N 3.09Å
318A72.2Confident76.9Confident38 Ų3848.8 Ų48.831%0.31425%0.252SS..G310 helixtrans-103.5-1.1176.300000112.7R315 R316 M328 I329R315-A318 WeakPolarHBondContact O-CA 3.17Å; R315-A318 WeakPolarHBondContact O-CB 3.33Å; R315-A318 PolarHBondContact O-N 3.17Å; R316-A318 PolarHBondContact O-N 2.69Å; A318-M328 WeakPolarHBondContact O-CA 3.27Å; A318-I329 HydrophobicContact CB-CD1 4.25Å; A318-I329 HydrophobicContact CB-CG1 3.81Å; A318-I329 PolarHBondContact O-N 2.73Å
319L78Confident76.2Confident16 Ų1647.8 Ų47.88%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-93.3139.9177.6-67.8174.9000110.5V292 I296 W300 F312 R315 R316 I326 M327 M328 V333V292-L319 HydrophobicContact CG1-CD1 4.22Å; I296-L319 HydrophobicContact CD1-CB 3.82Å; I296-L319 HydrophobicContact CD1-CD1 4.18Å; I296-L319 HydrophobicContact CD1-CG 4.49Å; I296-L319 HydrophobicContact CG1-CB 4.17Å; I296-L319 HydrophobicContact CG1-CD1 4.47Å; W300-L319 HydrophobicContact CH2-CD1 4.14Å; W300-L319 HydrophobicContact CZ2-CD1 3.9Å; F312-L319 HydrophobicContact CB-CD1 3.92Å; F312-L319 HydrophobicContact CD1-CD1 4.17Å; F312-L319 WeakPolarHBondContact O-CD1 3.45Å; R315-L319 PolarHBondContact O-N 2.77Å; R316-L319 PolarHBondContact O-N 2.8Å; R316-L319 VanDerWaalsContact O-N 3.14Å; L319-I326 HydrophobicContact CD2-CG2 4Å; L319-M327 CarbonylContact C-O 3.6Å; L319-M327 VanDerWaalsContact CA-O 3.28Å; L319-M327 WeakPolarHBondContact CA-O 3.27Å; L319-M328 HydrophobicContact CD2-CB 3.88Å; L319-M328 HydrophobicContact CD2-CE 3.66Å; L319-M328 HydrophobicContact CD2-CG 4.15Å; L319-V333 HydrophobicContact CD2-CG2 4.38Å
320S78.5Confident75.4Confident35 Ų3548.3 Ų48.325%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-142.4164.1173.552.60000109.6M327S320-M327 PolarHBondContact N-O 2.77Å; S320-M327 PolarHBondContact O-N 2.96Å
321V81.8Confident74.9Confident47 Ų4747.4 Ų47.429%0.28525%0.254SS..EExtended strand (participates in β ladder)trans-124.1127.9178.7176.10000108.5L293 I296 T297 C325L293-V321 HydrophobicContact CD1-CB 4.21Å; L293-V321 HydrophobicContact CD1-CG1 3.5Å; L293-V321 VanDerWaalsContact CD1-CG1 3.5Å; L293-V321 HydrophobicContact CD1-CG2 3.58Å; I296-V321 HydrophobicContact CB-CG2 3.92Å; I296-V321 HydrophobicContact CD1-CG2 3.93Å; I296-V321 HydrophobicContact CG2-CG2 3.66Å; T297-V321 HydrophobicContact CG2-CG2 4.48Å; V321-C325 WeakPolarHBondContact CA-O 3.17Å
322V73.9Confident74.9Confident16 Ų1644.2 Ų44.210%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-136.4125.5175.9-178.50000108.8V261 R262 L265 G324 C325 M327V261-V322 HydrophobicContact CB-CG2 3.87Å; V261-V322 HydrophobicContact CG1-CB 4.46Å; V261-V322 HydrophobicContact CG1-CG2 3.29Å; R262-V322 HydrophobicContact CB-CG1 4.36Å; R262-V322 HydrophobicContact CG-CG1 3.51Å; L265-V322 HydrophobicContact CB-CG1 4.37Å; L265-V322 HydrophobicContact CD2-CB 3.9Å; L265-V322 HydrophobicContact CD2-CG1 3.5Å; L265-V322 VanDerWaalsContact CD2-CG1 3.5Å; L265-V322 WeakPolarHBondContact CD2-O 3.25Å; V322-G324 PolarHBondContact O-N 3.05Å; V322-G324 VanDerWaalsContact O-N 3.12Å; V322-C325 PolarHBondContact N-O 3.03Å; V322-C325 WeakPolarHBondContact O-CA 3.25Å; V322-C325 WeakPolarHBondContact O-CB 3.19Å; V322-C325 PolarHBondContact O-N 3.19Å; V322-M327 HydrophobicContact CB-SD 4.17Å; V322-M327 HydrophobicContact CG2-SD 4.12Å
323E74.8Confident75Confident117 Ų11743.6 Ų43.655%0.54723%0.232SC..THydrogen-bonded Turntrans50.339.1179.5-62.9175.5-171.900113L265 C325L265-E323 HydrophobicContact CD2-CB 3.91Å; L265-E323 HydrophobicContact CD2-CG 4.27Å; E323-C325 PolarHBondContact O-N 3.05Å
324G78.8Confident74.9Confident23 Ų2343.1 Ų43.124%0.23723%0.23CC..THydrogen-bonded Turntrans73.12.2-178.600000115.1S280 V322S280-G324 WeakPolarHBondContact OG-CA 3.3Å; S280-G324 PolarHBondContact OG-O 2.99Å; V322-G324 PolarHBondContact O-N 3.05Å; V322-G324 VanDerWaalsContact O-N 3.12Å
325C82.2Confident75.6Confident0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-92.4138.4170.7-60.20000110.5L265 S276 V279 V321 V322 E323 V332L265-C325 HydrophobicContact CD1-CB 3.73Å; S276-C325 PolarHBondContact O-SG 3.35Å; V279-C325 HydrophobicContact CG1-CB 4.47Å; V321-C325 WeakPolarHBondContact CA-O 3.17Å; V322-C325 PolarHBondContact N-O 3.03Å; V322-C325 WeakPolarHBondContact O-CA 3.25Å; V322-C325 WeakPolarHBondContact O-CB 3.19Å; V322-C325 PolarHBondContact O-N 3.19Å; E323-C325 PolarHBondContact O-N 3.05Å; C325-V332 HydrophobicContact CB-CG1 4.18Å
326I84.3Confident76.2Confident0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-84.2132.1172-60165.4000108.3T283 L289 V292 L293 I296 L319 V333T283-I326 HydrophobicContact CG2-CD1 3.85Å; T283-I326 HydrophobicContact CG2-CG1 4.09Å; L289-I326 HydrophobicContact CB-CD1 3.99Å; L289-I326 HydrophobicContact CD2-CD1 4.2Å; L289-I326 WeakPolarHBondContact O-CD1 3.28Å; V292-I326 HydrophobicContact CB-CD1 4.04Å; V292-I326 HydrophobicContact CG1-CD1 3.87Å; L293-I326 HydrophobicContact CB-CD1 4.22Å; L293-I326 HydrophobicContact CB-CG1 4.44Å; L293-I326 HydrophobicContact CD1-CG1 4.01Å; I296-I326 HydrophobicContact CD1-CG1 4.37Å; I296-I326 HydrophobicContact CD1-CG2 3.86Å; L319-I326 HydrophobicContact CD2-CG2 4Å; I326-V333 HydrophobicContact CB-CB 4.06Å; I326-V333 HydrophobicContact CB-CG2 4.33Å; I326-V333 HydrophobicContact CG2-CB 4Å; I326-V333 HydrophobicContact CG2-CG2 3.75Å; I326-V333 PolarHBondContact O-N 3.46Å
327M78.6Confident76.5Confident1 Ų143.9 Ų43.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-118.7140.7177.7-69.7-170.971.500111.5V261 C264 L265 L319 S320 V322 C331 V332V261-M327 HydrophobicContact CG1-CB 4.47Å; V261-M327 HydrophobicContact CG1-CE 3.95Å; V261-M327 HydrophobicContact CG1-SD 3.38Å; V261-M327 WeakPolarHBondContact CG1-SD 3.33Å; C264-M327 HydrophobicContact CB-CE 3.62Å; L265-M327 HydrophobicContact CB-CE 4.32Å; L265-M327 HydrophobicContact CB-SD 3.76Å; L265-M327 HydrophobicContact CD1-SD 4.26Å; L319-M327 CarbonylContact C-O 3.6Å; L319-M327 VanDerWaalsContact CA-O 3.28Å; L319-M327 WeakPolarHBondContact CA-O 3.27Å; S320-M327 PolarHBondContact N-O 2.77Å; S320-M327 PolarHBondContact O-N 2.96Å; V322-M327 HydrophobicContact CB-SD 4.17Å; V322-M327 HydrophobicContact CG2-SD 4.12Å; M327-C331 CarbonylContact C-O 3.54Å; M327-C331 VanDerWaalsContact CA-O 3.26Å; M327-C331 WeakPolarHBondContact CA-O 3.28Å; M327-V332 HydrophobicContact CG-CG2 4.37Å
328M72.4Confident77Confident37 Ų3739.3 Ų39.318%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-128.5115.3174.5-172.9-174.8-63.900109.1F312 R315 A318 L319 G330 C331 V333F312-M328 HydrophobicContact CD1-CE 4.5Å; R315-M328 HydrophobicContact CB-CE 4.44Å; A318-M328 WeakPolarHBondContact O-CA 3.27Å; L319-M328 HydrophobicContact CD2-CB 3.88Å; L319-M328 HydrophobicContact CD2-CE 3.66Å; L319-M328 HydrophobicContact CD2-CG 4.15Å; M328-G330 VanDerWaalsContact C-N 3.29Å; M328-G330 PolarHBondContact O-N 3.32Å; M328-C331 PolarHBondContact N-O 3.1Å; M328-C331 PolarHBondContact O-N 3.37Å; M328-V333 HydrophobicContact CB-CG2 3.86Å
329I64.6Low77.4Confident94 Ų9440.6 Ų40.648%0.48221%0.207SC..THydrogen-bonded Turntrans47.950.7175-46.4174000111.8A318 C331A318-I329 HydrophobicContact CB-CD1 4.25Å; A318-I329 HydrophobicContact CB-CG1 3.81Å; A318-I329 PolarHBondContact O-N 2.73Å; I329-C331 VanDerWaalsContact C-N 3.27Å; I329-C331 PolarHBondContact O-N 3.49Å
330G62Low77.4Confident12 Ų1243.8 Ų43.812%0.12423%0.228CC..THydrogen-bonded Turntrans79-3.317800000115.9S268 M328S268-G330 PolarHBondContact OG-O 2.79Å; M328-G330 VanDerWaalsContact C-N 3.29Å; M328-G330 PolarHBondContact O-N 3.32Å
331C68.5Low77.2Confident33 Ų3344.5 Ų44.522%0.22324%0.237CC..EExtended strand (participates in β ladder)trans-108.4146.1177.3-56.20000110.7M327 M328 I329 P361M327-C331 CarbonylContact C-O 3.54Å; M327-C331 VanDerWaalsContact CA-O 3.26Å; M327-C331 WeakPolarHBondContact CA-O 3.28Å; M328-C331 PolarHBondContact N-O 3.1Å; M328-C331 PolarHBondContact O-N 3.37Å; I329-C331 VanDerWaalsContact C-N 3.27Å; I329-C331 PolarHBondContact O-N 3.49Å; C331-P361 WeakPolarHBondContact CB-O 3.49Å; C331-P361 PolarHBondContact SG-O 3.37Å
332V76.2Confident76.6Confident8 Ų842.3 Ų42.35%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-80126.9175.7-177.40000109.7L265 V279 C325 M327 K334L265-V332 HydrophobicContact CD1-CG2 3.48Å; L265-V332 VanDerWaalsContact CD1-CG2 3.48Å; V279-V332 HydrophobicContact CG1-CG1 3.7Å; C325-V332 HydrophobicContact CB-CG1 4.18Å; M327-V332 HydrophobicContact CG-CG2 4.37Å; V332-K334 PolarHBondContact O-N 3.49Å
333V81.2Confident76.6Confident23 Ų2344.5 Ų44.514%0.13923%0.234CC..  trans-72113.8174.8177.30000108.9L289 F312 L319 I326 M328L289-V333 HydrophobicContact CD1-CG1 4.39Å; L289-V333 HydrophobicContact CD2-CG1 3.73Å; F312-V333 HydrophobicContact CE1-CG1 3.94Å; F312-V333 HydrophobicContact CZ-CG1 4.48Å; L319-V333 HydrophobicContact CD2-CG2 4.38Å; I326-V333 HydrophobicContact CB-CB 4.06Å; I326-V333 HydrophobicContact CB-CG2 4.33Å; I326-V333 HydrophobicContact CG2-CB 4Å; I326-V333 HydrophobicContact CG2-CG2 3.75Å; I326-V333 PolarHBondContact O-N 3.46Å; M328-V333 HydrophobicContact CB-CG2 3.86Å
334K77.4Confident76.5Confident10 Ų1046.3 Ų46.34%0.04324%0.24CC..  trans-86.7128.8-173.3-61.2-170.5178.6-1670113F272 V332 Q339 S342 Y363 I364F272-K334 VanDerWaalsContact CE2-CE 3.42Å; V332-K334 PolarHBondContact O-N 3.49Å; K334-Q339 HydrophobicContact CB-CG 4.11Å; K334-Q339 PolarHBondContact O-NE2 2.85Å; K334-S342 VanDerWaalsContact NZ-CB 3.29Å; K334-S342 PolarHBondContact NZ-OG 3.09Å; K334-Y363 WeakPolarHBondContact CE-O 3.49Å; K334-Y363 PolarHBondContact NZ-O 3.06Å; K334-I364 WeakPolarHBondContact CB-OXT 3.46Å; K334-I364 WeakPolarHBondContact CD-OXT 3.36Å; K334-I364 VanDerWaalsContact CG-OXT 3.25Å; K334-I364 WeakPolarHBondContact CG-OXT 3.49Å
335P84.4Confident76Confident1 Ų148 Ų481%0.00624%0.242CC..  trans-53.6143.8166.8-24.734.2000111.5E282 T283 D286 L289 K337 L338 Q339E282-P335 HydrophobicContact CB-CB 3.92Å; E282-P335 HydrophobicContact CB-CG 3.74Å; T283-P335 WeakPolarHBondContact OG1-CG 3.28Å; D286-P335 HydrophobicContact CB-CB 4.37Å; L289-P335 HydrophobicContact CD1-CB 4.05Å; L289-P335 HydrophobicContact CD1-CG 3.86Å; P335-K337 PolarHBondContact O-N 2.91Å; P335-L338 HydrophobicContact CG-CD1 4.45Å; P335-L338 PolarHBondContact O-N 3.26Å; P335-Q339 PolarHBondContact O-N 2.76Å
336R82.7Confident75.3Confident164 Ų16448.3 Ų48.362%0.61924%0.244SC*.THydrogen-bonded Turntrans-55.1-32.5-175.8-71.6-177.6177.3-173.11112.9D286 L338 Q339 P340D286-R336 PolarHBondContact OD2-N 3.28Å; R336-L338 VanDerWaalsContact C-N 3.32Å; R336-L338 PolarHBondContact O-N 3.38Å; R336-Q339 PolarHBondContact O-N 3.33Å; R336-P340 WeakPolarHBondContact O-CD 3.44Å
337K83.4Confident74.6Confident133 Ų13353.1 Ų53.158%0.57827%0.266SS*.THydrogen-bonded Turntrans-62.7-31.8176.3-73.1174.9173.4-178.90113.9E282 E285 P335E282-K337 WeakPolarHBondContact OE2-CD 3.37Å; E282-K337 IonicContact OE2-NZ 3.21Å; E282-K337 PolarHBondContact OE2-NZ 3.37Å; E285-K337 IonicContact OE2-NZ 2.74Å; E285-K337 PolarHBondContact OE2-NZ 3.5Å; P335-K337 PolarHBondContact O-N 2.91Å
338L81.1Confident74Confident18 Ų1859.3 Ų59.39%0.09430%0.295CS..THydrogen-bonded Turntrans-92.3-13.3-177-60.7-175.8000113.5V274 L278 V279 E282 P335 R336 S342V274-L338 HydrophobicContact CG1-CD1 4.49Å; V274-L338 HydrophobicContact CG1-CD2 4.26Å; L278-L338 HydrophobicContact CD2-CD2 4.29Å; L278-L338 HydrophobicContact CG-CD1 4.42Å; L278-L338 HydrophobicContact CG-CD2 4.4Å; V279-L338 HydrophobicContact CB-CD1 4.43Å; V279-L338 HydrophobicContact CG2-CD1 3.9Å; E282-L338 HydrophobicContact CB-CD1 4.15Å; E282-L338 HydrophobicContact CB-CG 4.35Å; E282-L338 HydrophobicContact CG-CD1 4.14Å; E282-L338 HydrophobicContact CG-CD2 4.2Å; E282-L338 HydrophobicContact CG-CG 4.18Å; P335-L338 HydrophobicContact CG-CD1 4.45Å; P335-L338 PolarHBondContact O-N 3.26Å; R336-L338 VanDerWaalsContact C-N 3.32Å; R336-L338 PolarHBondContact O-N 3.38Å; L338-S342 PolarHBondContact O-N 2.88Å; L338-S342 PolarHBondContact O-OG 3.29Å
339Q81.4Confident73.7Confident64 Ų6460.5 Ų60.530%0.29932%0.316SS..Hα-helixtrans-61.2-44.8-179.3-67.4175.810.600113K334 P335 R336 A341 S342 L343K334-Q339 HydrophobicContact CB-CG 4.11Å; K334-Q339 PolarHBondContact O-NE2 2.85Å; P335-Q339 PolarHBondContact O-N 2.76Å; R336-Q339 PolarHBondContact O-N 3.33Å; Q339-A341 PolarHBondContact O-N 3.37Å; Q339-S342 PolarHBondContact O-N 3.14Å; Q339-L343 HydrophobicContact CB-CD1 4.49Å; Q339-L343 WeakPolarHBondContact O-CB 3.45Å; Q339-L343 PolarHBondContact O-N 3.05Å
340P78.1Confident73.7Confident83 Ų8363.9 Ų63.954%0.53933%0.33SS..Hα-helixtrans-60.9-40.7-179.6-25.535.3000113.9R336 S342 L343 K344R336-P340 WeakPolarHBondContact O-CD 3.44Å; P340-S342 VanDerWaalsContact C-N 3.34Å; P340-L343 PolarHBondContact O-N 3.36Å; P340-K344 WeakPolarHBondContact O-CB 3.42Å; P340-K344 PolarHBondContact O-N 2.96Å
341A73.4Confident73.7Confident51 Ų5165 Ų6542%0.42134%0.335SS..Hα-helixtrans-64.4-41.3177.800000111.3Q339 K344 Q345Q339-A341 PolarHBondContact O-N 3.37Å; A341-K344 PolarHBondContact O-N 3.5Å; A341-Q345 PolarHBondContact O-N 3.39Å
342S70.1Confident73.6Confident1 Ų165.3 Ų65.31%0.00734%0.344CS..Hα-helixtrans-69.4-42.4178.6-51.90000112.4K334 L338 Q339 P340 K344 Q345 L346 Y363K334-S342 VanDerWaalsContact NZ-CB 3.29Å; K334-S342 PolarHBondContact NZ-OG 3.09Å; L338-S342 PolarHBondContact O-N 2.88Å; L338-S342 PolarHBondContact O-OG 3.29Å; Q339-S342 PolarHBondContact O-N 3.14Å; P340-S342 VanDerWaalsContact C-N 3.34Å; S342-K344 VanDerWaalsContact C-N 3.3Å; S342-K344 PolarHBondContact O-N 3.08Å; S342-Q345 PolarHBondContact O-N 3.28Å; S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 PolarHBondContact O-N 3.02Å; S342-Y363 WeakPolarHBondContact CB-O 3.42Å
343L73.5Confident73.3Confident62 Ų6271 Ų7133%0.32537%0.373SS..Hα-helixtrans-58.7-40173.4-90152.1000111.9Q339 P340 Q345 L346 H347 I364Q339-L343 HydrophobicContact CB-CD1 4.49Å; Q339-L343 WeakPolarHBondContact O-CB 3.45Å; Q339-L343 PolarHBondContact O-N 3.05Å; P340-L343 PolarHBondContact O-N 3.36Å; L343-Q345 PolarHBondContact O-N 3.14Å; L343-L346 PolarHBondContact O-N 3.45Å; L343-H347 PolarHBondContact O-N 3.38Å; L343-I364 HydrophobicContact CD2-CD1 3.61Å; L343-I364 HydrophobicContact CG-CD1 3.88Å; L343-I364 HydrophobicContact CG-CG1 4.31Å
344K72.2Confident72.4Confident154 Ų15475.7 Ų75.767%0.6740%0.401SS*.Hα-helixtrans-62.2-43.3177.9-170177.2-179.5-179.50111.8P340 A341 S342 H347 Q348P340-K344 WeakPolarHBondContact O-CB 3.42Å; P340-K344 PolarHBondContact O-N 2.96Å; A341-K344 PolarHBondContact O-N 3.5Å; S342-K344 VanDerWaalsContact C-N 3.3Å; S342-K344 PolarHBondContact O-N 3.08Å; K344-H347 PolarHBondContact O-N 3.05Å; K344-Q348 WeakPolarHBondContact O-CG 3.39Å; K344-Q348 PolarHBondContact O-N 2.9Å
345Q68.7Low71.6Confident60 Ų6083.3 Ų83.328%0.2843%0.43SS..Hα-helixtrans-67.4-42.6175.6-81.9-166.8-24.200112.7P273 A341 S342 L343 H347 Q348P273-Q345 VanDerWaalsContact CD-OE1 3.25Å; A341-Q345 PolarHBondContact O-N 3.39Å; S342-Q345 PolarHBondContact O-N 3.28Å; L343-Q345 PolarHBondContact O-N 3.14Å; Q345-H347 PolarHBondContact O-N 3.46Å; Q345-Q348 WeakPolarHBondContact O-CB 3.42Å; Q345-Q348 PolarHBondContact O-N 3.07Å
346L66.8Low70.7Confident6 Ų684.9 Ų84.93%0.03144%0.437CS..Hα-helixtrans-55.4-37.6176.5175.761.2000111.3S342 L343 M356 I359 A360 Y363 I364S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 PolarHBondContact O-N 3.02Å; L343-L346 PolarHBondContact O-N 3.45Å; L346-M356 HydrophobicContact CD1-CG 4.41Å; L346-M356 HydrophobicContact CD1-SD 3.51Å; L346-M356 VanDerWaalsContact CD1-SD 3.51Å; L346-M356 HydrophobicContact CD2-CG 4.32Å; L346-M356 HydrophobicContact CD2-SD 4.09Å; L346-M356 HydrophobicContact CG-CG 4.28Å; L346-M356 HydrophobicContact CG-SD 3.42Å; L346-M356 WeakPolarHBondContact CG-SD 3.29Å; L346-M356 VanDerWaalsContact O-SD 3.42Å; L346-I359 HydrophobicContact CD1-CD1 3.55Å; L346-I359 HydrophobicContact CD1-CG1 3.44Å; L346-I359 VanDerWaalsContact CD1-CG1 3.44Å; L346-A360 HydrophobicContact CD2-CB 3.96Å; L346-Y363 HydrophobicContact CB-CD1 4.02Å; L346-Y363 HydrophobicContact CB-CG 4.09Å; L346-Y363 HydrophobicContact CD1-CD1 4.34Å; L346-Y363 HydrophobicContact CD1-CD2 3.73Å; L346-Y363 HydrophobicContact CD1-CE2 4.24Å; L346-Y363 HydrophobicContact CD1-CG 3.78Å; L346-Y363 HydrophobicContact CG-CG 4.38Å; L346-I364 HydrophobicContact CD2-CD1 3.85Å; L346-I364 HydrophobicContact CD2-CG1 4.15Å
347H71.2Confident69.9Low101 Ų10184.4 Ų84.447%0.46844%0.44SS..Hα-helixtrans-76.5-19.4176.5-70.1174.9000115.2L343 K344 Q345 G349 H350L343-H347 PolarHBondContact O-N 3.38Å; K344-H347 PolarHBondContact O-N 3.05Å; Q345-H347 PolarHBondContact O-N 3.46Å; H347-G349 VanDerWaalsContact C-N 3.27Å; H347-G349 PolarHBondContact O-N 3.24Å; H347-H350 PolarHBondContact O-N 3.24Å
348Q65.9Low68.8Low130 Ų13081.8 Ų81.861%0.60744%0.443SS*.Hα-helixtrans-62.6-32.1-178-77.1175.7-9.900113.1K344 Q345 H350K344-Q348 WeakPolarHBondContact O-CG 3.39Å; K344-Q348 PolarHBondContact O-N 2.9Å; Q345-Q348 WeakPolarHBondContact O-CB 3.42Å; Q345-Q348 PolarHBondContact O-N 3.07Å; Q348-H350 VanDerWaalsContact C-N 3.26Å; Q348-H350 PolarHBondContact O-CD2 3.27Å; Q348-H350 PolarHBondContact O-N 3.12Å
349G65.1Low68.1Low62 Ų6283.3 Ų83.364%0.63945%0.45SS*.THydrogen-bonded Turntrans-77.1-6.5-17800000115H347 P351H347-G349 VanDerWaalsContact C-N 3.27Å; H347-G349 PolarHBondContact O-N 3.24Å; G349-P351 VanDerWaalsContact C-N 3.26Å; G349-P351 VanDerWaalsContact O-N 3.08Å
350H64.8Low67.3Low166 Ų16681.2 Ų81.277%0.76944%0.444SS*.  trans38.245.5-172.1-64.4-76.9000115.4H347 Q348 G352H347-H350 PolarHBondContact O-N 3.24Å; Q348-H350 VanDerWaalsContact C-N 3.26Å; Q348-H350 PolarHBondContact O-CD2 3.27Å; Q348-H350 PolarHBondContact O-N 3.12Å; H350-G352 PolarHBondContact O-N 3.13Å
351P62.4Low66.5Low34 Ų3480.7 Ų80.722%0.22144%0.441CS..  trans-73.9-2.8-167.332.9-39.7000115G349 R355 M356 I359G349-P351 VanDerWaalsContact C-N 3.26Å; G349-P351 VanDerWaalsContact O-N 3.08Å; P351-R355 HydrophobicContact CB-CB 3.92Å; P351-R355 HydrophobicContact CB-CG 3.79Å; P351-R355 WeakPolarHBondContact O-CB 3.28Å; P351-M356 HydrophobicContact CG-CB 4.43Å; P351-M356 HydrophobicContact CG-CE 3.79Å; P351-M356 HydrophobicContact CG-SD 3.69Å; P351-I359 HydrophobicContact CG-CD1 4.14Å
352G65Low65.9Low41 Ų4180.8 Ų80.842%0.42344%0.439SS..  trans79.7160.1-17100000113.2H350 V354 R355 M356H350-G352 PolarHBondContact O-N 3.13Å; G352-V354 PolarHBondContact O-N 3.11Å; G352-R355 PolarHBondContact O-N 3.3Å; G352-M356 VanDerWaalsContact O-CB 3.26Å; G352-M356 WeakPolarHBondContact O-CB 3.45Å; G352-M356 PolarHBondContact O-N 3.37Å
353I70.3Confident65.3Low127 Ų12783.8 Ų83.865%0.65145%0.45SS*.Hα-helixtrans-60.5-38.3-168.5-167.8170.6000114.3M356 K357I353-M356 PolarHBondContact O-N 3.06Å; I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 2.92Å
354V63.4Low64.4Low121 Ų12184.3 Ų84.373%0.73345%0.452SS*.Hα-helixtrans-68.1-49.5-177.6178.20000110.3G352 M356 K357 A358G352-V354 PolarHBondContact O-N 3.11Å; V354-M356 VanDerWaalsContact C-N 3.31Å; V354-M356 PolarHBondContact O-N 3.31Å; V354-K357 PolarHBondContact O-N 3.42Å; V354-A358 PolarHBondContact O-N 3.15Å; V354-A358 VanDerWaalsContact O-N 3.15Å
355R59.6Low64Low171 Ų17180.8 Ų80.865%0.64544%0.441SS*.Hα-helixtrans-68.7-34.3178.3-171.1171.6-177.31762.8111.1P351 G352 A358 I359P351-R355 HydrophobicContact CB-CB 3.92Å; P351-R355 HydrophobicContact CB-CG 3.79Å; P351-R355 WeakPolarHBondContact O-CB 3.28Å; G352-R355 PolarHBondContact O-N 3.3Å; R355-A358 PolarHBondContact O-N 2.95Å; R355-I359 WeakPolarHBondContact O-CG1 3.48Å; R355-I359 PolarHBondContact O-N 3.35Å
356M66.3Low63.7Low34 Ų3481.9 Ų81.917%0.16745%0.45CS..Hα-helixtrans-58.1-49.4172.5-159.874.782.900111.7L346 P351 G352 I353 V354 A358 I359 A360L346-M356 HydrophobicContact CD1-CG 4.41Å; L346-M356 HydrophobicContact CD1-SD 3.51Å; L346-M356 VanDerWaalsContact CD1-SD 3.51Å; L346-M356 HydrophobicContact CD2-CG 4.32Å; L346-M356 HydrophobicContact CD2-SD 4.09Å; L346-M356 HydrophobicContact CG-CG 4.28Å; L346-M356 HydrophobicContact CG-SD 3.42Å; L346-M356 WeakPolarHBondContact CG-SD 3.29Å; L346-M356 VanDerWaalsContact O-SD 3.42Å; P351-M356 HydrophobicContact CG-CB 4.43Å; P351-M356 HydrophobicContact CG-CE 3.79Å; P351-M356 HydrophobicContact CG-SD 3.69Å; G352-M356 VanDerWaalsContact O-CB 3.26Å; G352-M356 WeakPolarHBondContact O-CB 3.45Å; G352-M356 PolarHBondContact O-N 3.37Å; I353-M356 PolarHBondContact O-N 3.06Å; V354-M356 VanDerWaalsContact C-N 3.31Å; V354-M356 PolarHBondContact O-N 3.31Å; M356-A358 VanDerWaalsContact C-N 3.27Å; M356-A358 PolarHBondContact O-N 3.26Å; M356-I359 PolarHBondContact O-N 3.31Å; M356-A360 WeakPolarHBondContact O-CA 3.45Å; M356-A360 WeakPolarHBondContact O-CB 3.48Å; M356-A360 PolarHBondContact O-N 3.32Å
357K64.7Low63.5Low154 Ų15486.1 Ų86.167%0.6747%0.473SS*.Hα-helixtrans-63.2-33.2177.9-75.4-177.6176.2-173.80112.8I353 V354 P361I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 2.92Å; V354-K357 PolarHBondContact O-N 3.42Å; K357-P361 WeakPolarHBondContact O-CD 3.45Å
358A61.2Low63.1Low77 Ų7785.2 Ų85.264%0.63647%0.473SS*.Hα-helixtrans-71.4-37.917900000112.8V354 R355 M356V354-A358 PolarHBondContact O-N 3.15Å; V354-A358 VanDerWaalsContact O-N 3.15Å; R355-A358 PolarHBondContact O-N 2.95Å; M356-A358 VanDerWaalsContact C-N 3.27Å; M356-A358 PolarHBondContact O-N 3.26Å
359I65.2Low62.9Low50 Ų5082.4 Ų82.426%0.25647%0.465SS..Hα-helixtrans-92.2-21.318071.1-175.7000112.6L346 P351 R355 M356 P361 S362 Y363L346-I359 HydrophobicContact CD1-CD1 3.55Å; L346-I359 HydrophobicContact CD1-CG1 3.44Å; L346-I359 VanDerWaalsContact CD1-CG1 3.44Å; P351-I359 HydrophobicContact CG-CD1 4.14Å; R355-I359 WeakPolarHBondContact O-CG1 3.48Å; R355-I359 PolarHBondContact O-N 3.35Å; M356-I359 PolarHBondContact O-N 3.31Å; I359-P361 VanDerWaalsContact C-CD 3.4Å; I359-P361 VanDerWaalsContact C-N 3.33Å; I359-P361 VanDerWaalsContact O-N 3.15Å; I359-S362 WeakPolarHBondContact O-CA 3.46Å; I359-S362 PolarHBondContact O-N 2.82Å; I359-S362 PolarHBondContact O-OG 3.28Å; I359-Y363 HydrophobicContact CB-CD2 4.21Å; I359-Y363 HydrophobicContact CB-CE2 4.16Å; I359-Y363 HydrophobicContact CD1-CE2 4.12Å; I359-Y363 HydrophobicContact CG1-CD2 4.17Å; I359-Y363 HydrophobicContact CG1-CE2 4.19Å; I359-Y363 WeakPolarHBondContact O-CD2 3.41Å; I359-Y363 PolarHBondContact O-N 3.35Å
360A66.5Low62.8Low20 Ų2083.8 Ų83.817%0.16545%0.453CS..G310 helixtrans-51.1-40-176.400000114.7L346 M356 S362 Y363 I364L346-A360 HydrophobicContact CD2-CB 3.96Å; M356-A360 WeakPolarHBondContact O-CA 3.45Å; M356-A360 WeakPolarHBondContact O-CB 3.48Å; M356-A360 PolarHBondContact O-N 3.32Å; A360-S362 PolarHBondContact O-N 3.42Å; A360-Y363 CarbonylContact O-C 3.53Å; A360-Y363 WeakPolarHBondContact O-CA 3.41Å; A360-Y363 PolarHBondContact O-N 3.17Å; A360-I364 HydrophobicContact CB-CD1 4.36Å; A360-I364 PolarHBondContact O-N 3.15Å
361P61.2Low62.6Low73 Ų7377.9 Ų77.947%0.47443%0.431SS..G310 helixtrans-60.7-30175.4-24.535.4000113.6C331 K357 I359 Y363C331-P361 WeakPolarHBondContact CB-O 3.49Å; C331-P361 PolarHBondContact SG-O 3.37Å; K357-P361 WeakPolarHBondContact O-CD 3.45Å; I359-P361 VanDerWaalsContact C-CD 3.4Å; I359-P361 VanDerWaalsContact C-N 3.33Å; I359-P361 VanDerWaalsContact O-N 3.15Å; P361-Y363 PolarHBondContact O-N 3.24Å
362S59.9Low62.6Low53 Ų5381.3 Ų81.337%0.37145%0.447SS..G310 helixtrans-82.53.2172.580.40000112.8F272 I359 A360F272-S362 VanDerWaalsContact CE1-O 3.3Å; F272-S362 WeakPolarHBondContact CE1-O 3.43Å; F272-S362 WeakPolarHBondContact CZ-O 3.48Å; I359-S362 WeakPolarHBondContact O-CA 3.46Å; I359-S362 PolarHBondContact O-N 2.82Å; I359-S362 PolarHBondContact O-OG 3.28Å; A360-S362 PolarHBondContact O-N 3.42Å
363Y58Low62.4Low64 Ų6484.7 Ų84.725%0.25145%0.449SS..THydrogen-bonded Turntrans-127.1-16.3178.7-78.3-96000114.6F272 K334 S342 L346 I359 A360 P361F272-Y363 HydrophobicContact CD1-CD1 4.49Å; F272-Y363 AromaticContact CE1-CD1 3.99Å; F272-Y363 HydrophobicContact CE1-CD1 3.99Å; F272-Y363 HydrophobicContact CE1-CG 4.25Å; K334-Y363 WeakPolarHBondContact CE-O 3.49Å; K334-Y363 PolarHBondContact NZ-O 3.06Å; S342-Y363 WeakPolarHBondContact CB-O 3.42Å; L346-Y363 HydrophobicContact CB-CD1 4.02Å; L346-Y363 HydrophobicContact CB-CG 4.09Å; L346-Y363 HydrophobicContact CD1-CD1 4.34Å; L346-Y363 HydrophobicContact CD1-CD2 3.73Å; L346-Y363 HydrophobicContact CD1-CE2 4.24Å; L346-Y363 HydrophobicContact CD1-CG 3.78Å; L346-Y363 HydrophobicContact CG-CG 4.38Å; I359-Y363 HydrophobicContact CB-CD2 4.21Å; I359-Y363 HydrophobicContact CB-CE2 4.16Å; I359-Y363 HydrophobicContact CD1-CE2 4.12Å; I359-Y363 HydrophobicContact CG1-CD2 4.17Å; I359-Y363 HydrophobicContact CG1-CE2 4.19Å; I359-Y363 WeakPolarHBondContact O-CD2 3.41Å; I359-Y363 PolarHBondContact O-N 3.35Å; A360-Y363 CarbonylContact O-C 3.53Å; A360-Y363 WeakPolarHBondContact O-CA 3.41Å; A360-Y363 PolarHBondContact O-N 3.17Å; P361-Y363 PolarHBondContact O-N 3.24Å
364I53.1Low61.7Low72 Ų7280.8 Ų80.837%0.36943%0.431SS..  trans-129.40-173.5-57.4178.9000111.2K334 L343 L346 A360K334-I364 WeakPolarHBondContact CB-OXT 3.46Å; K334-I364 WeakPolarHBondContact CD-OXT 3.36Å; K334-I364 VanDerWaalsContact CG-OXT 3.25Å; K334-I364 WeakPolarHBondContact CG-OXT 3.49Å; L343-I364 HydrophobicContact CD2-CD1 3.61Å; L343-I364 HydrophobicContact CG-CD1 3.88Å; L343-I364 HydrophobicContact CG-CG1 4.31Å; L346-I364 HydrophobicContact CD2-CD1 3.85Å; L346-I364 HydrophobicContact CD2-CG1 4.15Å; A360-I364 HydrophobicContact CB-CD1 4.36Å; A360-I364 PolarHBondContact O-N 3.15Å

Retrieved 364 of 364 residues in 725.9 ms (Link to these results)

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