A0A077ZIS7_TRITR Loading...

Integrator complex subunit 9

AlphaFold DB , UniProt , Accession A0A077ZIS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 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
1M57.9Low57.6Low29 Ų2964.4 Ų64.414%0.14335%0.352CS..  0164.80-63.3-172.3-65.400109.6C9 M20 F73 M80M1-C9 HydrophobicContact CB-CB 4.33Å; M1-C9 HydrophobicContact SD-CB 4.02Å; M1-M20 HydrophobicContact SD-CE 3.29Å; M1-M20 WeakPolarHBondContact SD-CE 3.33Å; M1-M20 HydrophobicContact SD-SD 4.31Å; M1-F73 PolarHBondContact N-O 3.3Å; M1-F73 WeakPolarHBondContact O-CB 3.36Å; M1-M80 HydrophobicContact CE-CE 3.92Å; M1-M80 HydrophobicContact SD-CE 3.73Å
2S56.4Low58.1Low12 Ų1263.3 Ų63.38%0.08435%0.345CS..  trans-81.2135.3-176.7-1710000112.5N4 Q7 A24S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 WeakPolarHBondContact OG-CB 3.35Å; S2-N4 PolarHBondContact OG-N 2.84Å; S2-N4 VanDerWaalsContact OG-N 3.08Å; S2-Q7 WeakPolarHBondContact CB-O 3.44Å; S2-A24 PolarHBondContact N-O 3.42Å
3E52.2Low58.5Low144 Ų14468.2 Ų68.267%0.67336%0.361SS*.  trans-88.6-0.4165.2-67.2-171.1160.800111.9P5 F73E3-P5 WeakPolarHBondContact O-CD 3.39Å; E3-F73 VanDerWaalsContact OE1-CE2 3.3Å; E3-F73 WeakPolarHBondContact OE1-CE2 3.31Å; E3-F73 WeakPolarHBondContact OE1-CZ 3.28Å
4N52.1Low58.7Low45 Ų4568.2 Ų68.224%0.24135%0.354CS..  trans-69.1119.6-178-171-24.5000109.8S2 N6 Q7S2-N4 VanDerWaalsContact C-N 3.3Å; S2-N4 WeakPolarHBondContact OG-CB 3.35Å; S2-N4 PolarHBondContact OG-N 2.84Å; S2-N4 VanDerWaalsContact OG-N 3.08Å; N4-N6 PolarHBondContact O-N 3.09Å; N4-N6 VanDerWaalsContact O-N 3.09Å; N4-N6 WeakPolarHBondContact OD1-CB 3.4Å; N4-N6 PolarHBondContact OD1-N 2.77Å; N4-N6 PolarHBondContact OD1-ND2 3.03Å; N4-Q7 HydrophobicContact CB-CB 4.37Å; N4-Q7 CarbonylContact O-C 3.43Å; N4-Q7 PolarHBondContact O-N 3.03Å
5P48.2Very low58.7Low110 Ų11072.3 Ų72.371%0.71439%0.386SS*.THydrogen-bonded Turntrans-62.9-19.8-179.825.3-34.3000113.1E3 Q7E3-P5 WeakPolarHBondContact O-CD 3.39Å; P5-Q7 VanDerWaalsContact C-N 3.35Å
6N50.2Low59.1Low122 Ų12277.3 Ų77.365%0.65241%0.413SS*.THydrogen-bonded Turntrans-85.5-8.3174.9-58.2-54.3000113.3N4N4-N6 PolarHBondContact O-N 3.09Å; N4-N6 VanDerWaalsContact O-N 3.09Å; N4-N6 WeakPolarHBondContact OD1-CB 3.4Å; N4-N6 PolarHBondContact OD1-N 2.77Å; N4-N6 PolarHBondContact OD1-ND2 3.03Å
7Q56.5Low59.6Low78 Ų7873.8 Ų73.836%0.36440%0.399SS..SBendtrans-136.662.8174.9-57-175.5-10.300109.4S2 N4 P5 A24 L25S2-Q7 WeakPolarHBondContact CB-O 3.44Å; N4-Q7 HydrophobicContact CB-CB 4.37Å; N4-Q7 CarbonylContact O-C 3.43Å; N4-Q7 PolarHBondContact O-N 3.03Å; P5-Q7 VanDerWaalsContact C-N 3.35Å; Q7-A24 HydrophobicContact CB-CB 3.62Å; Q7-A24 WeakPolarHBondContact O-CB 3.38Å; Q7-L25 PolarHBondContact OE1-O 3.04Å
8P57.3Low60.5Low34 Ų3470.1 Ų70.122%0.22138%0.38CS..  trans-72.9143.6-175.532.1-36.5000111.6L10 F363P8-L10 HydrophobicContact CB-CD2 4.25Å; P8-L10 HydrophobicContact CB-CG 4.09Å; P8-F363 HydrophobicContact CG-CE1 4.37Å; P8-F363 HydrophobicContact CG-CZ 4.03Å
9C65.9Low61.2Low25 Ų2566.4 Ų66.417%0.16936%0.36CS..  trans-103.2109.6159.3-79.90000107.6M1 M20 D22 A24M1-C9 HydrophobicContact CB-CB 4.33Å; M1-C9 HydrophobicContact SD-CB 4.02Å; C9-M20 HydrophobicContact CB-CE 3.83Å; C9-D22 PolarHBondContact SG-O 3.4Å; C9-A24 PolarHBondContact SG-N 2.97Å
10L66.5Low62.1Low58 Ų5863.1 Ų63.130%0.30434%0.342SS..EExtended strand (participates in β ladder)trans-106.7123-175.6-61.7168.5000110.5P8 M20 L21 I359P8-L10 HydrophobicContact CB-CD2 4.25Å; P8-L10 HydrophobicContact CB-CG 4.09Å; L10-M20 CarbonylContact O-C 3.56Å; L10-M20 WeakPolarHBondContact O-CA 3.17Å; L10-L21 HydrophobicContact CB-CB 4.25Å; L10-L21 HydrophobicContact CB-CD1 4.45Å; L10-L21 PolarHBondContact N-O 2.86Å; L10-L21 PolarHBondContact O-N 3.28Å; L10-I359 HydrophobicContact CD1-CD1 3.51Å
11V70Confident62.8Low51 Ų5160.4 Ų60.431%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-103.6113.1173.6-177.60000109.5K13 V19 M20 F78 L83V11-K13 HydrophobicContact CG1-CG 4.24Å; V11-V19 CarbonylContact C-O 3.58Å; V11-V19 WeakPolarHBondContact CA-O 3.39Å; V11-M20 HydrophobicContact CG2-CB 4.24Å; V11-M20 HydrophobicContact CG2-CG 4.1Å; V11-F78 HydrophobicContact CG1-CD2 4.23Å; V11-F78 HydrophobicContact CG1-CE2 3.97Å; V11-F78 HydrophobicContact CG1-CZ 4.19Å; V11-L83 HydrophobicContact CG1-CD2 3.82Å; V11-L83 HydrophobicContact CG2-CD2 4.45Å
12L64.4Low63.9Low51 Ų5159.4 Ų59.427%0.26732%0.323SS..EExtended strand (participates in β ladder)trans-90.6128.7172.1-57.2178.4000109W14 S18 V19 L21 I198L12-W14 HydrophobicContact CB-CZ3 4.3Å; L12-S18 CarbonylContact O-C 3.51Å; L12-S18 WeakPolarHBondContact O-CA 3.25Å; L12-V19 PolarHBondContact N-O 2.99Å; L12-V19 PolarHBondContact O-N 3.02Å; L12-L21 HydrophobicContact CD1-CD1 3.93Å; L12-L21 HydrophobicContact CG-CD1 4.4Å; L12-I198 HydrophobicContact CD1-CD1 3.59Å
13K62.8Low65.1Low128 Ų12858.9 Ų58.956%0.55732%0.319SS*.EExtended strand (participates in β ladder)trans-122.2136.1177.5-71.1-175167.7-170.40110.9V11 F78V11-K13 HydrophobicContact CG1-CG 4.24Å; K13-F78 VanDerWaalsContact NZ-CD2 3.27Å
14W61Low66Low68 Ų6852.3 Ų52.326%0.25829%0.289SS..EExtended strand (participates in β ladder)trans-135.1172164.461.191.6000108.8L12 D16 G17 V19 Y181L12-W14 HydrophobicContact CB-CZ3 4.3Å; W14-D16 PolarHBondContact O-N 3.11Å; W14-D16 VanDerWaalsContact O-N 3.15Å; W14-G17 PolarHBondContact N-O 3.48Å; W14-G17 VanDerWaalsContact NE1-N 3.19Å; W14-G17 PolarHBondContact O-N 3.11Å; W14-V19 HydrophobicContact CH2-CB 4.05Å; W14-V19 HydrophobicContact CH2-CG2 3.46Å; W14-V19 VanDerWaalsContact CH2-CG2 3.46Å; W14-V19 HydrophobicContact CZ3-CB 4.15Å; W14-V19 HydrophobicContact CZ3-CG2 4.05Å; W14-Y181 HydrophobicContact CH2-CD2 4.13Å; W14-Y181 HydrophobicContact CH2-CE1 4.27Å; W14-Y181 AromaticContact CH2-CE2 3.32Å; W14-Y181 HydrophobicContact CH2-CE2 3.32Å; W14-Y181 AromaticContact CH2-CZ 3.42Å; W14-Y181 VanDerWaalsContact CH2-CZ 3.42Å; W14-Y181 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y181 HydrophobicContact CZ2-CD1 4.32Å; W14-Y181 HydrophobicContact CZ2-CD2 4.24Å; W14-Y181 AromaticContact CZ2-CE1 3.62Å; W14-Y181 HydrophobicContact CZ2-CE1 3.62Å; W14-Y181 AromaticContact CZ2-CE2 3.54Å; W14-Y181 HydrophobicContact CZ2-CE2 3.54Å; W14-Y181 AromaticContact CZ2-CZ 3.19Å; W14-Y181 VanDerWaalsContact CZ2-OH 3.25Å; W14-Y181 WeakPolarHBondContact CZ2-OH 3.23Å; W14-Y181 HydrophobicContact CZ3-CE2 4.44Å
15P59.2Low66.8Low129 Ų12950.2 Ų50.284%0.83828%0.278SS*.THydrogen-bonded Turntrans-54.6-36.5-173.6-29.137.1000114.4
16D65.1Low67.4Low153 Ų15347.6 Ų47.682%0.81826%0.258SS*.THydrogen-bonded Turntrans-100.14.3-172.7-50-44.5000113.9W14W14-D16 PolarHBondContact O-N 3.11Å; W14-D16 VanDerWaalsContact O-N 3.15Å
17G67.3Low67.8Low17 Ų1744 Ų4418%0.17524%0.238CC..EExtended strand (participates in β ladder)trans177.1166.5-176.100000115.8W14W14-G17 PolarHBondContact N-O 3.48Å; W14-G17 VanDerWaalsContact NE1-N 3.19Å; W14-G17 PolarHBondContact O-N 3.11Å
18S75.4Confident67.4Low7 Ų741.8 Ų41.85%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-141.7134.5173.370.50000112.2L12 D82 L83 S84 V85L12-S18 CarbonylContact O-C 3.51Å; L12-S18 WeakPolarHBondContact O-CA 3.25Å; S18-D82 PolarHBondContact OG-O 3.47Å; S18-L83 WeakPolarHBondContact OG-CA 3.3Å; S18-S84 PolarHBondContact N-OG 2.96Å; S18-S84 PolarHBondContact O-N 3.07Å; S18-S84 PolarHBondContact O-OG 3.4Å; S18-V85 PolarHBondContact O-N 2.95Å
19V74.5Confident66.9Low0 Ų041.3 Ų41.30%023%0.228CC..EExtended strand (participates in β ladder)trans-118133.6-179.9162.70000109.2V11 L12 W14 L21 V85 L87 Y181 I198V11-V19 CarbonylContact C-O 3.58Å; V11-V19 WeakPolarHBondContact CA-O 3.39Å; L12-V19 PolarHBondContact N-O 2.99Å; L12-V19 PolarHBondContact O-N 3.02Å; W14-V19 HydrophobicContact CH2-CB 4.05Å; W14-V19 HydrophobicContact CH2-CG2 3.46Å; W14-V19 VanDerWaalsContact CH2-CG2 3.46Å; W14-V19 HydrophobicContact CZ3-CB 4.15Å; W14-V19 HydrophobicContact CZ3-CG2 4.05Å; V19-L21 HydrophobicContact CG1-CD2 4.48Å; V19-L21 HydrophobicContact CG1-CG 4.4Å; V19-V85 CarbonylContact C-O 3.49Å; V19-V85 VanDerWaalsContact CA-O 3.3Å; V19-V85 WeakPolarHBondContact CA-O 3.17Å; V19-V85 HydrophobicContact CG2-CB 3.9Å; V19-V85 HydrophobicContact CG2-CG1 4.38Å; V19-L87 HydrophobicContact CG1-CD1 3.6Å; V19-L87 HydrophobicContact CG1-CG 3.86Å; V19-Y181 HydrophobicContact CG2-CE2 3.75Å; V19-Y181 WeakPolarHBondContact CG2-OH 3.31Å; V19-I198 HydrophobicContact CG1-CD1 4.21Å
20M79.3Confident65.9Low0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-102.8124.2167.4-177.9174.7173.900109.8M1 C9 L10 V11 D22 C23 L83 V85 I86 L87 I100M1-M20 HydrophobicContact SD-CE 3.29Å; M1-M20 WeakPolarHBondContact SD-CE 3.33Å; M1-M20 HydrophobicContact SD-SD 4.31Å; C9-M20 HydrophobicContact CB-CE 3.83Å; L10-M20 CarbonylContact O-C 3.56Å; L10-M20 WeakPolarHBondContact O-CA 3.17Å; V11-M20 HydrophobicContact CG2-CB 4.24Å; V11-M20 HydrophobicContact CG2-CG 4.1Å; M20-D22 WeakPolarHBondContact CE-O 3.4Å; M20-C23 HydrophobicContact CE-CB 4.49Å; M20-L83 HydrophobicContact CB-CD1 3.98Å; M20-L83 HydrophobicContact CB-CD2 3.91Å; M20-L83 HydrophobicContact SD-CD1 3.77Å; M20-V85 PolarHBondContact N-O 2.89Å; M20-I86 HydrophobicContact CB-CG1 4.18Å; M20-I86 CarbonylContact O-C 3.59Å; M20-I86 WeakPolarHBondContact O-CA 3.43Å; M20-L87 PolarHBondContact O-N 3.38Å; M20-I100 HydrophobicContact CE-CD1 3.83Å; M20-I100 HydrophobicContact SD-CD1 4.2Å
21L76.5Confident64.9Low8 Ų843.3 Ų43.34%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-94.1121.4170.9-65.1166.1000108.7L10 L12 V19 L87 W196 I198L10-L21 HydrophobicContact CB-CB 4.25Å; L10-L21 HydrophobicContact CB-CD1 4.45Å; L10-L21 PolarHBondContact N-O 2.86Å; L10-L21 PolarHBondContact O-N 3.28Å; L12-L21 HydrophobicContact CD1-CD1 3.93Å; L12-L21 HydrophobicContact CG-CD1 4.4Å; V19-L21 HydrophobicContact CG1-CD2 4.48Å; V19-L21 HydrophobicContact CG1-CG 4.4Å; L21-L87 HydrophobicContact CD2-CB 3.96Å; L21-L87 HydrophobicContact CD2-CD1 3.92Å; L21-W196 HydrophobicContact CD2-CB 4.12Å; L21-W196 HydrophobicContact CD2-CG 4.13Å; L21-I198 HydrophobicContact CD2-CD1 4.26Å
22D80.4Confident63.7Low8 Ų842.8 Ų42.84%0.04324%0.238CC..  trans59.5143.3175.6-62.9-49.5000115.9C9 M20 L87 S89 S93C9-D22 PolarHBondContact SG-O 3.4Å; M20-D22 WeakPolarHBondContact CE-O 3.4Å; D22-L87 PolarHBondContact N-O 3.2Å; D22-S89 VanDerWaalsContact CG-OG 3.26Å; D22-S89 VanDerWaalsContact OD1-CB 3.29Å; D22-S89 WeakPolarHBondContact OD1-CB 3.27Å; D22-S89 PolarHBondContact OD1-N 3Å; D22-S89 PolarHBondContact OD1-OG 3.14Å; D22-S89 VanDerWaalsContact OD1-OG 3.07Å; D22-S89 WeakPolarHBondContact OD2-CB 3.46Å; D22-S89 PolarHBondContact OD2-OG 3.38Å; D22-S93 WeakPolarHBondContact OD1-CB 3.38Å; D22-S93 PolarHBondContact OD1-OG 3.21Å
23C81.7Confident62.7Low0 Ų042.8 Ų42.80%024%0.24CC..  trans-116.168-179.1-640000110.2M20 I86 L88 S93 L95 A96 L97 I100M20-C23 HydrophobicContact CE-CB 4.49Å; C23-I86 VanDerWaalsContact SG-CG2 3.58Å; C23-L88 HydrophobicContact CB-CD2 4.36Å; C23-S93 CarbonylContact C-O 3.55Å; C23-S93 WeakPolarHBondContact CA-O 3.29Å; C23-S93 WeakPolarHBondContact CB-O 3.48Å; C23-S93 PolarHBondContact N-O 2.81Å; C23-L95 PolarHBondContact O-N 3.06Å; C23-A96 HydrophobicContact CB-CB 4.17Å; C23-A96 WeakPolarHBondContact O-CB 3.42Å; C23-A96 PolarHBondContact O-N 3.45Å; C23-L97 HydrophobicContact CB-CB 4.09Å; C23-L97 HydrophobicContact CB-CD1 4.29Å; C23-I100 HydrophobicContact CB-CD1 4.07Å; C23-I100 VanDerWaalsContact SG-CD1 3.55Å
24A71.2Confident61.6Low6 Ų641.3 Ų41.35%0.0524%0.238CC..  trans-71.4147.6176.200000114S2 Q7 C9 A96S2-A24 PolarHBondContact N-O 3.42Å; Q7-A24 HydrophobicContact CB-CB 3.62Å; Q7-A24 WeakPolarHBondContact O-CB 3.38Å; C9-A24 PolarHBondContact SG-N 2.97Å; A24-A96 WeakPolarHBondContact O-CB 3.5Å
25L68.8Low60.4Low1 Ų143.4 Ų43.41%0.00526%0.26CS..  trans-129.9124.5177.8-169.368000110.1Q7 L27 I70 L95 A96 F99Q7-L25 PolarHBondContact OE1-O 3.04Å; L25-L27 HydrophobicContact CD2-CD2 4.11Å; L25-L27 PolarHBondContact O-N 3.24Å; L25-L27 VanDerWaalsContact O-N 3.14Å; L25-I70 HydrophobicContact CD1-CG2 3.87Å; L25-I70 HydrophobicContact CD2-CD1 3.62Å; L25-I70 HydrophobicContact CD2-CG2 4.09Å; L25-I70 HydrophobicContact CG-CG2 4.04Å; L25-L95 HydrophobicContact CB-CB 3.56Å; L25-L95 HydrophobicContact CD2-CB 4.41Å; L25-A96 HydrophobicContact CB-CB 4.17Å; L25-A96 HydrophobicContact CD1-CB 4.16Å; L25-F99 HydrophobicContact CD1-CE2 4.41Å; L25-F99 HydrophobicContact CD2-CE2 3.84Å
26D61.2Low59.3Low55 Ų5540.9 Ų40.929%0.29425%0.245SC..  trans-76.5104.7177.1-155.530.4000109.3P28D26-P28 WeakPolarHBondContact OD1-CD 3.48Å; D26-P28 WeakPolarHBondContact OD1-CG 3.36Å; D26-P28 WeakPolarHBondContact OD2-CD 3.47Å; D26-P28 WeakPolarHBondContact OD2-CG 3.32Å
27L58.2Low57.8Low46 Ų4639.9 Ų39.924%0.24124%0.239CC..  trans-83.71175.4-63.7169.9000117.2L25 S29 N30 L95 V125 F157L25-L27 HydrophobicContact CD2-CD2 4.11Å; L25-L27 PolarHBondContact O-N 3.24Å; L25-L27 VanDerWaalsContact O-N 3.14Å; L27-S29 PolarHBondContact O-N 3.29Å; L27-N30 WeakPolarHBondContact O-CB 3.46Å; L27-N30 PolarHBondContact O-N 3.49Å; L27-L95 HydrophobicContact CD1-CD1 4.19Å; L27-V125 HydrophobicContact CD1-CG1 3.87Å; L27-V125 HydrophobicContact CD1-CG2 3.92Å; L27-V125 HydrophobicContact CD2-CG1 4.34Å; L27-F157 HydrophobicContact CD2-CZ 4.38Å
28P47.7Very low56.2Low33 Ų3345.2 Ų45.221%0.21427%0.268CS..Hα-helixtrans-56.1-24.5177.9-25.533.9000114.6D26 N30 L31 I50D26-P28 WeakPolarHBondContact OD1-CD 3.48Å; D26-P28 WeakPolarHBondContact OD1-CG 3.36Å; D26-P28 WeakPolarHBondContact OD2-CD 3.47Å; D26-P28 WeakPolarHBondContact OD2-CG 3.32Å; P28-N30 PolarHBondContact O-N 3.12Å; P28-L31 HydrophobicContact CB-CD1 4.24Å; P28-L31 VanDerWaalsContact O-CB 3.29Å; P28-L31 WeakPolarHBondContact O-CB 3.47Å; P28-L31 PolarHBondContact O-N 3.13Å; P28-I50 HydrophobicContact CB-CD1 4.49Å
29S47.5Very low54.4Low23 Ų2350 Ų5016%0.16130%0.297CS..Hα-helixtrans-56.4-30.2171.845.10000112.3L27L27-S29 PolarHBondContact O-N 3.29Å
30N45.7Very low52.5Low22 Ų2256.8 Ų56.812%0.11833%0.327CS..Hα-helixtrans-76.5-26173.3-75.12.6000113.3L27 P28 A32 V33 L34 F68 F157L27-N30 WeakPolarHBondContact O-CB 3.46Å; L27-N30 PolarHBondContact O-N 3.49Å; P28-N30 PolarHBondContact O-N 3.12Å; N30-A32 PolarHBondContact O-N 3Å; N30-V33 PolarHBondContact O-N 3.13Å; N30-L34 PolarHBondContact O-N 3.31Å; N30-F68 HydrophobicContact CB-CD1 4.37Å; N30-F68 HydrophobicContact CB-CE1 4.39Å; N30-F68 WeakPolarHBondContact OD1-CD1 3.47Å; N30-F157 VanDerWaalsContact ND2-CZ 3.3Å; N30-F157 WeakPolarHBondContact ND2-CZ 3.43Å
31L44.7Very low50.4Low103 Ų10360.2 Ų60.254%0.53936%0.362SS..Hα-helixtrans-62.6-26.8176-63.2176.1000111.7P28 V33 L34P28-L31 HydrophobicContact CB-CD1 4.24Å; P28-L31 VanDerWaalsContact O-CB 3.29Å; P28-L31 WeakPolarHBondContact O-CB 3.47Å; P28-L31 PolarHBondContact O-N 3.13Å; L31-V33 PolarHBondContact O-N 3.33Å; L31-L34 HydrophobicContact CD2-CD1 3.57Å; L31-L34 PolarHBondContact O-N 2.69Å
32A44.8Very low48.3Very low40 Ų4069.1 Ų69.133%0.33140%0.4SS..THydrogen-bonded Turntrans-62.5-25.3175.100000112.8N30N30-A32 PolarHBondContact O-N 3Å
33V43.2Very low46.2Very low51 Ų5173.8 Ų73.831%0.30942%0.424SS..THydrogen-bonded Turntrans-98.8-18.9-175.6-168.40000112.5N30 L31 P66 F68N30-V33 PolarHBondContact O-N 3.13Å; L31-V33 PolarHBondContact O-N 3.33Å; V33-P66 HydrophobicContact CG1-CB 3.78Å; V33-P66 HydrophobicContact CG1-CG 3.17Å; V33-P66 HydrophobicContact CG2-CB 4.42Å; V33-F68 HydrophobicContact CB-CD1 4.34Å; V33-F68 HydrophobicContact CB-CE1 3.55Å; V33-F68 HydrophobicContact CB-CZ 3.82Å; V33-F68 HydrophobicContact CG1-CD1 4.44Å; V33-F68 HydrophobicContact CG1-CE1 3.59Å; V33-F68 HydrophobicContact CG1-CE2 3.93Å; V33-F68 HydrophobicContact CG1-CZ 3.31Å; V33-F68 HydrophobicContact CG2-CD1 4.25Å; V33-F68 HydrophobicContact CG2-CE1 3.96Å; V33-F68 HydrophobicContact CG2-CZ 4.49Å
34L39.6Very low43.9Very low97 Ų9780.7 Ų80.751%0.50846%0.458SS..SBendtrans-62.9141.4173.9-69.1178.7000110.3N30 L31 S36N30-L34 PolarHBondContact O-N 3.31Å; L31-L34 HydrophobicContact CD2-CD1 3.57Å; L31-L34 PolarHBondContact O-N 2.69Å; L34-S36 PolarHBondContact O-N 3.42Å
35P35.5Very low42.1Very low112 Ų11286 Ų8673%0.72749%0.486SS*.  trans-54.8128.8172.420.9-29.6000108.9I37P35-I37 PolarHBondContact O-N 2.99Å
36S36.9Very low40.5Very low76 Ų7687.8 Ų87.853%0.53150%0.501SS..  trans-51.8107.6176.1170.30000109L34 T38L34-S36 PolarHBondContact O-N 3.42Å; S36-T38 PolarHBondContact O-N 3.22Å
37I34.2Very low39.3Very low132 Ų13292.1 Ų92.168%0.67751%0.513SS*.  trans-63.1104.1167.3-69.8174.1000106P35 V39P35-I37 PolarHBondContact O-N 2.99Å; I37-V39 HydrophobicContact CG2-CB 4.04Å; I37-V39 HydrophobicContact CG2-CG2 4.04Å; I37-V39 PolarHBondContact O-N 3.12Å
38T34.1Very low38.2Very low130 Ų13097.9 Ų97.980%0.79854%0.536SS*.THydrogen-bonded Turntrans-64.9-1.7-175.424.50000113.9S36 F40S36-T38 PolarHBondContact O-N 3.22Å; T38-F40 PolarHBondContact O-N 2.89Å
39V35.9Very low37.6Very low106 Ų106101.4 Ų101.464%0.64256%0.557SS**THydrogen-bonded Turntrans-79.4-13.4-168.4-174.10000113.8I37I37-V39 HydrophobicContact CG2-CB 4.04Å; I37-V39 HydrophobicContact CG2-CG2 4.04Å; I37-V39 PolarHBondContact O-N 3.12Å
40F35.7Very low37.2Very low144 Ų144104.1 Ų104.163%0.63257%0.569SS**  trans-136.698.5176.8-70.3-83000112.2T38 K42 I43T38-F40 PolarHBondContact O-N 2.89Å; F40-K42 PolarHBondContact O-N 2.87Å; F40-I43 HydrophobicContact CB-CD1 4.21Å; F40-I43 HydrophobicContact CB-CG1 4.38Å; F40-I43 PolarHBondContact O-N 3.49Å
41G34Very low36.8Very low72 Ų72106.1 Ų106.174%0.74258%0.579SS**THydrogen-bonded Turntrans-56-1.5-18000000116.7
42K33.2Very low36.5Very low194 Ų194107.1 Ų107.184%0.84359%0.585SS**THydrogen-bonded Turntrans-90.2-16.3173.3-70.9-175.8176.7178.10114.2F40 M44F40-K42 PolarHBondContact O-N 2.87Å; K42-M44 VanDerWaalsContact C-N 3.27Å; K42-M44 PolarHBondContact O-N 3.14Å
43I36.4Very low36.3Very low107 Ų107107 Ų10755%0.54958%0.582SS.*THydrogen-bonded Turntrans-76.5-12.9-179.1-59.8176.4000112.2F40 N45 A46F40-I43 HydrophobicContact CB-CD1 4.21Å; F40-I43 HydrophobicContact CB-CG1 4.38Å; F40-I43 PolarHBondContact O-N 3.49Å; I43-N45 PolarHBondContact O-N 2.93Å; I43-N45 VanDerWaalsContact O-N 3.07Å; I43-A46 HydrophobicContact CG2-CB 4.08Å; I43-A46 WeakPolarHBondContact O-CB 3.15Å; I43-A46 PolarHBondContact O-N 2.65Å
44M33.3Very low36.2Very low145 Ų145110.5 Ų110.571%0.71460%0.599SS**Hα-helixtrans-58.5-25.1174.3-87.1-148.1-71.100113.7K42K42-M44 VanDerWaalsContact C-N 3.27Å; K42-M44 PolarHBondContact O-N 3.14Å
45N33.8Very low36.4Very low118 Ų118106 Ų10663%0.63158%0.575SS**Hα-helixtrans-77.9-21.2174.3-80.4-11.7000113.6I43 R47 K48 T49I43-N45 PolarHBondContact O-N 2.93Å; I43-N45 VanDerWaalsContact O-N 3.07Å; N45-R47 PolarHBondContact O-N 2.83Å; N45-K48 PolarHBondContact O-N 3.36Å; N45-T49 PolarHBondContact O-N 3.43Å; N45-T49 VanDerWaalsContact O-N 3.14Å; N45-T49 PolarHBondContact O-OG1 2.69Å
46A34.1Very low36.8Very low38 Ų38103.3 Ų103.331%0.31456%0.557SS.*Hα-helixtrans-64.8-31.5175.100000111.6I43 K48 T49 I50I43-A46 HydrophobicContact CG2-CB 4.08Å; I43-A46 WeakPolarHBondContact O-CB 3.15Å; I43-A46 PolarHBondContact O-N 2.65Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3.4Å; A46-T49 PolarHBondContact O-N 3.25Å; A46-I50 WeakPolarHBondContact O-CB 3.38Å; A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.33Å; A46-I50 PolarHBondContact O-N 3.25Å
47R36Very low37.1Very low146 Ų146101.6 Ų101.655%0.55154%0.544SS*.Hα-helixtrans-53.8-50.9168.6-97.5-176.2173.1168.1-1.7110.4N45 T49 L51N45-R47 PolarHBondContact O-N 2.83Å; R47-T49 PolarHBondContact O-N 3.27Å; R47-L51 HydrophobicContact CB-CD1 4.06Å; R47-L51 HydrophobicContact CG-CD1 4.12Å; R47-L51 WeakPolarHBondContact O-CB 3.48Å; R47-L51 WeakPolarHBondContact O-CD1 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.11Å; R47-L51 PolarHBondContact O-N 3.36Å
48K35.4Very low37.3Very low166 Ų16698.8 Ų98.872%0.72254%0.54SS*.Hα-helixtrans-67.3-36.8-177.8-85.9-175.4174.9178.90113.9N45 A46 N52N45-K48 PolarHBondContact O-N 3.36Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3.4Å; K48-N52 PolarHBondContact O-N 3.24Å
49T35.9Very low37.6Very low108 Ų10897.4 Ų97.466%0.66353%0.532SS*.Hα-helixtrans-73.7-39.5-178.8-35.70000111.9N45 A46 R47 N52N45-T49 PolarHBondContact O-N 3.43Å; N45-T49 VanDerWaalsContact O-N 3.14Å; N45-T49 PolarHBondContact O-OG1 2.69Å; A46-T49 PolarHBondContact O-N 3.25Å; R47-T49 PolarHBondContact O-N 3.27Å; T49-N52 PolarHBondContact O-N 3.31Å
50I38.2Very low37.5Very low80 Ų8096.1 Ų96.141%0.4152%0.521SS..Hα-helixtrans-74.3-33.4177.4-59.5170.4000110.7P28 A46 N52P28-I50 HydrophobicContact CB-CD1 4.49Å; A46-I50 WeakPolarHBondContact O-CB 3.38Å; A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.33Å; A46-I50 PolarHBondContact O-N 3.25Å; I50-N52 VanDerWaalsContact C-N 3.26Å; I50-N52 PolarHBondContact O-N 3.36Å
51L37.8Very low37.7Very low63 Ų6394.5 Ų94.533%0.3353%0.527SS..THydrogen-bonded Turntrans-81.712.6175.3-80.9128.8000114.5R47 C53 T56R47-L51 HydrophobicContact CB-CD1 4.06Å; R47-L51 HydrophobicContact CG-CD1 4.12Å; R47-L51 WeakPolarHBondContact O-CB 3.48Å; R47-L51 WeakPolarHBondContact O-CD1 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.11Å; R47-L51 PolarHBondContact O-N 3.36Å; L51-C53 CarbonylContact O-C 3.54Å; L51-C53 PolarHBondContact O-N 3.25Å; L51-C53 VanDerWaalsContact O-N 3.13Å; L51-C53 VanDerWaalsContact O-O 3.13Å; L51-T56 HydrophobicContact CD2-CG2 3.42Å; L51-T56 VanDerWaalsContact CD2-CG2 3.42Å; L51-T56 HydrophobicContact CG-CG2 4.14Å
52N38.2Very low37.8Very low125 Ų125100.2 Ų100.267%0.66853%0.532SS*.THydrogen-bonded Turntrans-71.9-4176.4-13816000112.7K48 T49 I50K48-N52 PolarHBondContact O-N 3.24Å; T49-N52 PolarHBondContact O-N 3.31Å; I50-N52 VanDerWaalsContact C-N 3.26Å; I50-N52 PolarHBondContact O-N 3.36Å
53C39.8Very low37.9Very low37 Ų3792.8 Ų92.825%0.2550%0.503CS..SBendtrans-86.3118154.486.80000108.9L51 C55L51-C53 CarbonylContact O-C 3.54Å; L51-C53 PolarHBondContact O-N 3.25Å; L51-C53 VanDerWaalsContact O-N 3.13Å; L51-C53 VanDerWaalsContact O-O 3.13Å; C53-C55 HydrophobicContact CB-CB 4.17Å; C53-C55 PolarHBondContact O-N 3.11Å
54N41.8Very low37.9Very low125 Ų12597.5 Ų97.567%0.66852%0.519SS*.THydrogen-bonded Turntrans-65.712.1168.1-78.7-2.3000112.4
55C43.8Very low37.9Very low2 Ų291.6 Ų91.61%0.01449%0.492CS..THydrogen-bonded Turntrans-90.6-2.5-170.3-45.60000112.2C53 F147 K149 W154C53-C55 HydrophobicContact CB-CB 4.17Å; C53-C55 PolarHBondContact O-N 3.11Å; C55-F147 HydrophobicContact CB-CB 3.92Å; C55-K149 PolarHBondContact SG-O 3.35Å; C55-W154 PolarHBondContact O-NE1 3.29Å
56T43.8Very low38.1Very low56 Ų5688 Ų8834%0.34448%0.476SS..SBendtrans-54.2126.1178.351.10000109.7L51 A58L51-T56 HydrophobicContact CD2-CG2 3.42Å; L51-T56 VanDerWaalsContact CD2-CG2 3.42Å; L51-T56 HydrophobicContact CG-CG2 4.14Å; T56-A58 PolarHBondContact O-N 3.04Å; T56-A58 VanDerWaalsContact O-N 3.13Å
57P43Very low38.5Very low39 Ų3989 Ų8925%0.25347%0.472SS..  trans-54.2126.6178.318.5-28.5000108.1V59P57-V59 PolarHBondContact O-N 2.85Å
58A38.7Very low38.9Very low73 Ų7384.4 Ų84.460%0.60346%0.457SS*.  trans-53113.9179.500000107.9T56 N60T56-A58 PolarHBondContact O-N 3.04Å; T56-A58 VanDerWaalsContact O-N 3.13Å; A58-N60 VanDerWaalsContact C-N 3.25Å; A58-N60 PolarHBondContact O-N 3.22Å
59V40.2Very low39.6Very low102 Ų10277.1 Ų77.162%0.61843%0.428SS*.  trans-63.998171.1179.60000105.1P57 S61P57-V59 PolarHBondContact O-N 2.85Å; V59-S61 PolarHBondContact O-N 3.45Å
60N35.2Very low40.5Very low78 Ų7872 Ų7242%0.41740%0.396SS..  trans-62.1113.2-177.5-152.5-10.2000106.2A58 K62 T63A58-N60 VanDerWaalsContact C-N 3.25Å; A58-N60 PolarHBondContact O-N 3.22Å; N60-K62 PolarHBondContact O-N 2.74Å; N60-T63 CarbonylContact O-C 3.51Å; N60-T63 PolarHBondContact O-N 3.2Å; N60-T63 VanDerWaalsContact O-O 3.07Å; N60-T63 PolarHBondContact O-OG1 2.71Å
61S38.8Very low41Very low110 Ų11069.7 Ų69.777%0.76939%0.386SS*.THydrogen-bonded Turntrans-59.6-14.6-168.959.60000113.8V59V59-S61 PolarHBondContact O-N 3.45Å
62K36.4Very low41.8Very low193 Ų19367.9 Ų67.984%0.83938%0.377SS*.THydrogen-bonded Turntrans-81-24174.8-68.2-172.1176.5-178.40114N60N60-K62 PolarHBondContact O-N 2.74Å
63T36.2Very low42.3Very low37 Ų3764.7 Ų64.723%0.22736%0.357CS..  trans-112.6101.2176.654.40000108N60 S65 V138N60-T63 CarbonylContact O-C 3.51Å; N60-T63 PolarHBondContact O-N 3.2Å; N60-T63 VanDerWaalsContact O-O 3.07Å; N60-T63 PolarHBondContact O-OG1 2.71Å; T63-S65 PolarHBondContact O-N 3.27Å; T63-V138 HydrophobicContact CG2-CG1 4.2Å
64K35.8Very low42.9Very low207 Ų20768.3 Ų68.390%0.937%0.37SS*.  trans-62.8-5.4-178.7-81.2-175.8176.1178.40114.2P66K64-P66 WeakPolarHBondContact O-CD 3.32Å
65S33.7Very low43.2Very low20 Ų2063.3 Ų63.314%0.1435%0.345CS..SBendtrans-96.9110.3179.820.10000109.7T63 K67 S137 V138T63-S65 PolarHBondContact O-N 3.27Å; S65-K67 PolarHBondContact O-N 3.16Å; S65-S137 PolarHBondContact OG-O 2.72Å; S65-S137 PolarHBondContact OG-OG 3.31Å; S65-V138 VanDerWaalsContact CB-CG2 3.41Å; S65-V138 WeakPolarHBondContact O-CG2 3.42Å; S65-V138 WeakPolarHBondContact OG-CG2 3.14Å
66P36.6Very low43.6Very low44 Ų4470 Ų7029%0.28638%0.381SS..  trans-62.3125.8171.520.7-26.7000109.6V33 K64 F68V33-P66 HydrophobicContact CG1-CB 3.78Å; V33-P66 HydrophobicContact CG1-CG 3.17Å; V33-P66 HydrophobicContact CG2-CB 4.42Å; K64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-F68 WeakPolarHBondContact O-CD2 3.42Å; P66-F68 PolarHBondContact O-N 2.93Å
67K42.5Very low44.1Very low57 Ų5774.9 Ų74.925%0.24840%0.404CS..  trans-67.8119.6165.1-77.1-170-178.9-178.50107.6S65 A69 V138 D139 A140 C143S65-K67 PolarHBondContact O-N 3.16Å; K67-A69 PolarHBondContact O-N 2.95Å; K67-V138 HydrophobicContact CD-CG1 4.25Å; K67-V138 VanDerWaalsContact CE-CG1 3.41Å; K67-V138 HydrophobicContact CG-CB 4.28Å; K67-V138 HydrophobicContact CG-CG1 3.94Å; K67-V138 HydrophobicContact CG-CG2 4.48Å; K67-D139 WeakPolarHBondContact CE-O 3.41Å; K67-D139 PolarHBondContact NZ-O 2.78Å; K67-A140 PolarHBondContact NZ-O 2.97Å; K67-C143 HydrophobicContact CD-CB 4.47Å
68F46Very low45.1Very low51 Ų5174.3 Ų74.322%0.22440%0.398CS..  trans-75.1104.3171.2-72.2-94.6000107.4N30 V33 P66 F135 F157N30-F68 HydrophobicContact CB-CD1 4.37Å; N30-F68 HydrophobicContact CB-CE1 4.39Å; N30-F68 WeakPolarHBondContact OD1-CD1 3.47Å; V33-F68 HydrophobicContact CB-CD1 4.34Å; V33-F68 HydrophobicContact CB-CE1 3.55Å; V33-F68 HydrophobicContact CB-CZ 3.82Å; V33-F68 HydrophobicContact CG1-CD1 4.44Å; V33-F68 HydrophobicContact CG1-CE1 3.59Å; V33-F68 HydrophobicContact CG1-CE2 3.93Å; V33-F68 HydrophobicContact CG1-CZ 3.31Å; V33-F68 HydrophobicContact CG2-CD1 4.25Å; V33-F68 HydrophobicContact CG2-CE1 3.96Å; V33-F68 HydrophobicContact CG2-CZ 4.49Å; P66-F68 WeakPolarHBondContact O-CD2 3.42Å; P66-F68 PolarHBondContact O-N 2.93Å; F68-F135 HydrophobicContact CB-CE1 4.2Å; F68-F135 HydrophobicContact CD2-CD1 4.49Å; F68-F135 AromaticContact CD2-CE1 3.39Å; F68-F135 HydrophobicContact CD2-CE1 3.39Å; F68-F135 AromaticContact CD2-CZ 3.55Å; F68-F135 HydrophobicContact CD2-CZ 3.55Å; F68-F135 HydrophobicContact CE2-CE1 4.13Å; F68-F135 HydrophobicContact CE2-CZ 4.01Å; F68-F135 HydrophobicContact CG-CE1 4.17Å; F68-F135 HydrophobicContact CG-CZ 4.25Å; F68-F157 HydrophobicContact CB-CD2 4.02Å; F68-F157 HydrophobicContact CB-CE2 3.84Å; F68-F157 WeakPolarHBondContact O-CD2 3.25Å
69A49.1Very low46.9Very low13 Ų1375 Ų7511%0.10739%0.391CS..EExtended strand (participates in β ladder)trans-105.8152.8165.200000107.7K67 W154 E155K67-A69 PolarHBondContact O-N 2.95Å; A69-W154 HydrophobicContact CB-CB 4.11Å; A69-W154 HydrophobicContact CB-CD2 4.26Å; A69-W154 HydrophobicContact CB-CE3 3.51Å; A69-W154 HydrophobicContact CB-CZ3 4.29Å; A69-W154 WeakPolarHBondContact O-CZ3 3.31Å; A69-E155 WeakPolarHBondContact CA-O 3.26Å
70I55.1Low48.9Very low0 Ų071.5 Ų71.50%037%0.369CS..EExtended strand (participates in β ladder)trans-106.3132.8174.1-54.1170.7000108.1L25 I72 F99 W154 E155 F157L25-I70 HydrophobicContact CD1-CG2 3.87Å; L25-I70 HydrophobicContact CD2-CD1 3.62Å; L25-I70 HydrophobicContact CD2-CG2 4.09Å; L25-I70 HydrophobicContact CG-CG2 4.04Å; I70-I72 HydrophobicContact CG2-CG1 4.49Å; I70-I72 PolarHBondContact O-N 2.81Å; I70-F99 HydrophobicContact CD1-CE2 3.84Å; I70-F99 HydrophobicContact CD1-CZ 3.6Å; I70-W154 WeakPolarHBondContact O-CA 3.43Å; I70-E155 PolarHBondContact N-O 3.35Å; I70-E155 PolarHBondContact O-N 3.27Å; I70-F157 HydrophobicContact CD1-CD1 3.47Å; I70-F157 VanDerWaalsContact CD1-CD1 3.47Å; I70-F157 HydrophobicContact CD1-CD2 3.94Å; I70-F157 HydrophobicContact CD1-CE1 3.1Å; I70-F157 HydrophobicContact CD1-CE2 3.62Å; I70-F157 HydrophobicContact CD1-CG 3.86Å; I70-F157 HydrophobicContact CD1-CZ 3.18Å; I70-F157 HydrophobicContact CG1-CD1 4.2Å; I70-F157 HydrophobicContact CG1-CD2 3.74Å; I70-F157 HydrophobicContact CG1-CE1 3.73Å; I70-F157 HydrophobicContact CG1-CE2 3.21Å; I70-F157 HydrophobicContact CG1-CG 4.19Å; I70-F157 HydrophobicContact CG1-CZ 3.19Å
71C48.9Very low51.3Low31 Ų3170.4 Ų70.421%0.20937%0.367CS..EExtended strand (participates in β ladder)trans-75.9104.4168.3175.90000108.5C152 W154C71-C152 WeakPolarHBondContact SG-CB 3.29Å; C71-C152 PolarHBondContact SG-SG 3.46Å; C71-W154 HydrophobicContact CB-CD2 4.4Å; C71-W154 HydrophobicContact CB-CE3 4.24Å; C71-W154 HydrophobicContact CB-CH2 4.25Å; C71-W154 HydrophobicContact CB-CZ2 4.36Å; C71-W154 HydrophobicContact CB-CZ3 4.18Å
72I54.7Low53.4Low26 Ų2669.6 Ų69.613%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-89.2118.3171.2-51.1-171.5000107.5I70 Q74 F99 L153 E155I70-I72 HydrophobicContact CG2-CG1 4.49Å; I70-I72 PolarHBondContact O-N 2.81Å; I72-Q74 PolarHBondContact O-N 3.23Å; I72-F99 HydrophobicContact CD1-CB 3.84Å; I72-F99 HydrophobicContact CD1-CD1 3.27Å; I72-F99 HydrophobicContact CD1-CD2 3.85Å; I72-F99 HydrophobicContact CD1-CE1 3.64Å; I72-F99 HydrophobicContact CD1-CE2 4.18Å; I72-F99 HydrophobicContact CD1-CG 3.38Å; I72-F99 HydrophobicContact CD1-CZ 4.09Å; I72-L153 PolarHBondContact N-O 3.16Å; I72-L153 PolarHBondContact O-N 3.35Å; I72-E155 HydrophobicContact CD1-CB 3.71Å; I72-E155 HydrophobicContact CD1-CG 3.72Å; I72-E155 HydrophobicContact CG1-CB 4.11Å; I72-E155 HydrophobicContact CG1-CG 4.21Å
73F49Very low55.6Low58 Ų5860.6 Ų60.625%0.25432%0.315SS..EExtended strand (participates in β ladder)trans-68.8111.4165.3-165-101.9000109.1M1 E3 D151M1-F73 PolarHBondContact N-O 3.3Å; M1-F73 WeakPolarHBondContact O-CB 3.36Å; E3-F73 VanDerWaalsContact OE1-CE2 3.3Å; E3-F73 WeakPolarHBondContact OE1-CE2 3.31Å; E3-F73 WeakPolarHBondContact OE1-CZ 3.28Å; F73-D151 HydrophobicContact CD2-CB 4.44Å; F73-D151 HydrophobicContact CE2-CB 4.06Å
74Q51Low58Low112 Ų11260.9 Ų60.952%0.52332%0.318SS..  trans-101.1105.9166.7-175.1172.5-23.300106.6I72 D76 L153I72-Q74 PolarHBondContact O-N 3.23Å; Q74-D76 PolarHBondContact O-N 3.27Å; Q74-L153 HydrophobicContact CB-CD1 3.87Å; Q74-L153 HydrophobicContact CG-CD1 4.5Å
75S49.3Very low60.4Low20 Ų2051.4 Ų51.414%0.1428%0.278CS..  trans-75116.8170.764.10000108L77 F78S75-L77 PolarHBondContact O-N 2.9Å; S75-F78 PolarHBondContact O-N 2.84Å
76D50.5Low63.1Low143 Ų14350.5 Ų50.577%0.76527%0.271SS*.THydrogen-bonded Turntrans-55.7-13.2165.1-72.9-20000111.8Q74 F78Q74-D76 PolarHBondContact O-N 3.27Å; D76-F78 PolarHBondContact O-N 2.89Å
77L55.4Low65.4Low158 Ų15848.4 Ų48.483%0.82726%0.258SS*.THydrogen-bonded Turntrans-64.2-19.9176.7-68.5151.7000114.3S75S75-L77 PolarHBondContact O-N 2.9Å
78F64.3Low67.6Low28 Ų2845.7 Ų45.712%0.12325%0.246CC..  trans-147.9122-172.5-174.9-95000113.6V11 K13 S75 D76 M80 D82 L83V11-F78 HydrophobicContact CG1-CD2 4.23Å; V11-F78 HydrophobicContact CG1-CE2 3.97Å; V11-F78 HydrophobicContact CG1-CZ 4.19Å; K13-F78 VanDerWaalsContact NZ-CD2 3.27Å; S75-F78 PolarHBondContact O-N 2.84Å; D76-F78 PolarHBondContact O-N 2.89Å; F78-M80 HydrophobicContact CD1-SD 4.3Å; F78-M80 HydrophobicContact CE1-SD 4.13Å; F78-D82 HydrophobicContact CE2-CB 4.43Å; F78-D82 HydrophobicContact CZ-CB 4.3Å; F78-L83 HydrophobicContact CE1-CD1 3.63Å; F78-L83 HydrophobicContact CE1-CD2 3.56Å; F78-L83 HydrophobicContact CE1-CG 3.28Å; F78-L83 HydrophobicContact CE2-CD2 4.24Å; F78-L83 HydrophobicContact CZ-CB 4.36Å; F78-L83 HydrophobicContact CZ-CD1 4.18Å; F78-L83 HydrophobicContact CZ-CD2 3.27Å; F78-L83 HydrophobicContact CZ-CG 3.31Å
79N75.9Confident69.1Low88 Ų8843.4 Ų43.447%0.47124%0.237SC..  trans-87.7122.5176.6-174.69.5000111.1S81 D82N79-S81 PolarHBondContact ND2-OG 3Å; N79-S81 PolarHBondContact O-N 3.13Å; N79-S81 PolarHBondContact OD1-N 2.99Å; N79-S81 PolarHBondContact OD1-OG 2.88Å; N79-D82 WeakPolarHBondContact O-CB 3.28Å; N79-D82 PolarHBondContact O-N 3.24Å
80M82.5Confident70.4Confident28 Ų2844 Ų4414%0.13824%0.237CC..G310 helixtrans-63.4-23.6-177-70.3-64.3-17500114.1M1 F78 D82 L83 I100 T104 F106M1-M80 HydrophobicContact CE-CE 3.92Å; M1-M80 HydrophobicContact SD-CE 3.73Å; F78-M80 HydrophobicContact CD1-SD 4.3Å; F78-M80 HydrophobicContact CE1-SD 4.13Å; M80-D82 PolarHBondContact O-N 3.48Å; M80-L83 PolarHBondContact O-N 3.5Å; M80-L83 HydrophobicContact SD-CD1 3.58Å; M80-L83 VanDerWaalsContact SD-CD1 3.58Å; M80-I100 HydrophobicContact CE-CD1 4.47Å; M80-I100 HydrophobicContact CE-CG1 4.22Å; M80-I100 HydrophobicContact SD-CG2 4.28Å; M80-T104 WeakPolarHBondContact CB-OG1 3.3Å; M80-T104 HydrophobicContact CG-CG2 4.16Å; M80-F106 HydrophobicContact CB-CB 4.39Å
81S84.9Confident71.5Confident55 Ų5545 Ų4539%0.38524%0.244SC..G310 helixtrans-66.3-20.8175.160.90000113.4N79 L83N79-S81 PolarHBondContact ND2-OG 3Å; N79-S81 PolarHBondContact O-N 3.13Å; N79-S81 PolarHBondContact OD1-N 2.99Å; N79-S81 PolarHBondContact OD1-OG 2.88Å; S81-L83 VanDerWaalsContact C-N 3.33Å
82D82.9Confident72.8Confident92 Ų9246.6 Ų46.649%0.49226%0.255SS..G310 helixtrans-84.6-11.5-177.8-55.9-12.5000111.9S18 F78 N79 M80 S84S18-D82 PolarHBondContact OG-O 3.47Å; F78-D82 HydrophobicContact CE2-CB 4.43Å; F78-D82 HydrophobicContact CZ-CB 4.3Å; N79-D82 WeakPolarHBondContact O-CB 3.28Å; N79-D82 PolarHBondContact O-N 3.24Å; M80-D82 PolarHBondContact O-N 3.48Å; D82-S84 PolarHBondContact O-N 3.05Å
83L83.6Confident73.9Confident4 Ų445.6 Ų45.62%0.02125%0.25CS..  trans-70.7121.9175.4-71.5172.1000110.7V11 S18 M20 F78 M80 S81 F106V11-L83 HydrophobicContact CG1-CD2 3.82Å; V11-L83 HydrophobicContact CG2-CD2 4.45Å; S18-L83 WeakPolarHBondContact OG-CA 3.3Å; M20-L83 HydrophobicContact CB-CD1 3.98Å; M20-L83 HydrophobicContact CB-CD2 3.91Å; M20-L83 HydrophobicContact SD-CD1 3.77Å; F78-L83 HydrophobicContact CE1-CD1 3.63Å; F78-L83 HydrophobicContact CE1-CD2 3.56Å; F78-L83 HydrophobicContact CE1-CG 3.28Å; F78-L83 HydrophobicContact CE2-CD2 4.24Å; F78-L83 HydrophobicContact CZ-CB 4.36Å; F78-L83 HydrophobicContact CZ-CD1 4.18Å; F78-L83 HydrophobicContact CZ-CD2 3.27Å; F78-L83 HydrophobicContact CZ-CG 3.31Å; M80-L83 PolarHBondContact O-N 3.5Å; M80-L83 HydrophobicContact SD-CD1 3.58Å; M80-L83 VanDerWaalsContact SD-CD1 3.58Å; S81-L83 VanDerWaalsContact C-N 3.33Å; L83-F106 HydrophobicContact CB-CD2 3.73Å; L83-F106 HydrophobicContact CB-CE2 3.67Å; L83-F106 HydrophobicContact CD1-CD2 4.32Å
84S85.9Confident75.4Confident43 Ų4342.9 Ų42.930%0.30124%0.238SC..  trans-83.7-37.3174.163.60000112.2S18 D82 G108 A109S18-S84 PolarHBondContact N-OG 2.96Å; S18-S84 PolarHBondContact O-N 3.07Å; S18-S84 PolarHBondContact O-OG 3.4Å; D82-S84 PolarHBondContact O-N 3.05Å; S84-G108 CarbonylContact O-C 3.49Å; S84-G108 WeakPolarHBondContact O-CA 3.46Å; S84-A109 PolarHBondContact O-N 3.35Å
85V87.1Confident76.6Confident9 Ų938 Ų386%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-145.3138-171.9179.60000111.2S18 V19 M20 L87 A109 F111S18-V85 PolarHBondContact O-N 2.95Å; V19-V85 CarbonylContact C-O 3.49Å; V19-V85 VanDerWaalsContact CA-O 3.3Å; V19-V85 WeakPolarHBondContact CA-O 3.17Å; V19-V85 HydrophobicContact CG2-CB 3.9Å; V19-V85 HydrophobicContact CG2-CG1 4.38Å; M20-V85 PolarHBondContact N-O 2.89Å; V85-L87 HydrophobicContact CG1-CD2 3.52Å; V85-L87 HydrophobicContact CG1-CG 3.94Å; V85-A109 CarbonylContact C-O 3.44Å; V85-A109 VanDerWaalsContact CA-O 3.26Å; V85-A109 WeakPolarHBondContact CA-O 3.36Å; V85-F111 HydrophobicContact CG1-CD2 3.68Å; V85-F111 HydrophobicContact CG1-CE2 3.98Å
86I89.7Confident78.2Confident0 Ų037.2 Ų37.20%021%0.21CC..EExtended strand (participates in β ladder)trans-111130.7165.3-61.8175.2000108.2M20 C23 L88 L97 I100 F106 A109 I110 F111M20-I86 HydrophobicContact CB-CG1 4.18Å; M20-I86 CarbonylContact O-C 3.59Å; M20-I86 WeakPolarHBondContact O-CA 3.43Å; C23-I86 VanDerWaalsContact SG-CG2 3.58Å; I86-L88 HydrophobicContact CG2-CD2 3.83Å; I86-L88 HydrophobicContact CG2-CG 4.24Å; I86-L97 HydrophobicContact CD1-CD1 3.97Å; I86-L97 HydrophobicContact CG2-CD1 4.09Å; I86-I100 HydrophobicContact CD1-CG2 3.89Å; I86-F106 HydrophobicContact CB-CZ 4.37Å; I86-F106 HydrophobicContact CD1-CD1 4.09Å; I86-F106 HydrophobicContact CD1-CD2 4.07Å; I86-F106 HydrophobicContact CD1-CE1 3.71Å; I86-F106 HydrophobicContact CD1-CE2 3.68Å; I86-F106 HydrophobicContact CD1-CG 4.24Å; I86-F106 HydrophobicContact CD1-CZ 3.47Å; I86-F106 VanDerWaalsContact CD1-CZ 3.47Å; I86-F106 HydrophobicContact CG1-CD2 4.47Å; I86-F106 HydrophobicContact CG1-CE1 4.31Å; I86-F106 HydrophobicContact CG1-CE2 3.7Å; I86-F106 HydrophobicContact CG1-CZ 3.59Å; I86-A109 PolarHBondContact N-O 3.19Å; I86-I110 HydrophobicContact CB-CG1 4.29Å; I86-I110 HydrophobicContact CB-CG2 4.14Å; I86-I110 HydrophobicContact CD1-CG1 4.48Å; I86-I110 HydrophobicContact CG2-CG2 4.19Å; I86-I110 CarbonylContact O-C 3.56Å; I86-I110 WeakPolarHBondContact O-CA 3.26Å; I86-F111 PolarHBondContact O-N 3.26Å
87L85.6Confident79.9Confident0 Ų030.4 Ų30.40%017%0.174CC..EExtended strand (participates in β ladder)trans-117.1125.6179.7-63-176.9000109.3V19 M20 L21 D22 V85 F111 V182 W196 I198V19-L87 HydrophobicContact CG1-CD1 3.6Å; V19-L87 HydrophobicContact CG1-CG 3.86Å; M20-L87 PolarHBondContact O-N 3.38Å; L21-L87 HydrophobicContact CD2-CB 3.96Å; L21-L87 HydrophobicContact CD2-CD1 3.92Å; D22-L87 PolarHBondContact N-O 3.2Å; V85-L87 HydrophobicContact CG1-CD2 3.52Å; V85-L87 HydrophobicContact CG1-CG 3.94Å; L87-F111 HydrophobicContact CD2-CB 3.87Å; L87-F111 HydrophobicContact CD2-CD2 3.94Å; L87-F111 HydrophobicContact CD2-CG 4.37Å; L87-V182 HydrophobicContact CD1-CB 4.45Å; L87-V182 HydrophobicContact CD1-CG1 3.53Å; L87-V182 HydrophobicContact CD1-CG2 4.04Å; L87-V182 HydrophobicContact CD2-CG1 3.9Å; L87-V182 HydrophobicContact CG-CG1 4.38Å; L87-W196 HydrophobicContact CB-CD2 3.88Å; L87-W196 HydrophobicContact CB-CG 4.08Å; L87-W196 HydrophobicContact CB-CZ2 4.02Å; L87-W196 HydrophobicContact CD1-CB 4.02Å; L87-W196 HydrophobicContact CD1-CD2 3.88Å; L87-W196 HydrophobicContact CD1-CE3 4.08Å; L87-W196 HydrophobicContact CD1-CG 3.87Å; L87-W196 HydrophobicContact CD2-CD2 4.24Å; L87-W196 HydrophobicContact CD2-CE3 4.02Å; L87-W196 HydrophobicContact CD2-CH2 4.03Å; L87-W196 HydrophobicContact CD2-CZ2 4.3Å; L87-W196 HydrophobicContact CD2-CZ3 3.89Å; L87-W196 HydrophobicContact CG-CD2 4.22Å; L87-W196 HydrophobicContact CG-CE3 4.43Å; L87-I198 HydrophobicContact CD1-CD1 4.13Å; L87-I198 HydrophobicContact CD1-CG1 4.44Å
88L87.4Confident81.5Confident0 Ų022.9 Ų22.90%014%0.135CC..EExtended strand (participates in β ladder)trans-112.3110.2-174.5-56.8173.5000110.3C23 I86 F94 L97 I110 F111 A112 W196C23-L88 HydrophobicContact CB-CD2 4.36Å; I86-L88 HydrophobicContact CG2-CD2 3.83Å; I86-L88 HydrophobicContact CG2-CG 4.24Å; L88-F94 HydrophobicContact CB-CE2 4.3Å; L88-F94 HydrophobicContact CB-CZ 4.13Å; L88-F94 HydrophobicContact CD1-CD1 3.52Å; L88-F94 HydrophobicContact CD1-CD2 4.47Å; L88-F94 HydrophobicContact CD1-CE1 3.16Å; L88-F94 HydrophobicContact CD1-CE2 4.16Å; L88-F94 HydrophobicContact CD1-CG 4.16Å; L88-F94 HydrophobicContact CD1-CZ 3.52Å; L88-F94 HydrophobicContact CG-CE1 4.44Å; L88-F94 HydrophobicContact CG-CZ 4.44Å; L88-L97 HydrophobicContact CD1-CD2 3.65Å; L88-I110 HydrophobicContact CD1-CG2 3.74Å; L88-I110 HydrophobicContact CG-CG2 4.23Å; L88-F111 PolarHBondContact N-O 3.03Å; L88-A112 HydrophobicContact CB-CB 3.96Å; L88-A112 HydrophobicContact CD1-CB 4.33Å; L88-W196 WeakPolarHBondContact O-CZ2 3.2Å
89S78.5Confident82.3Confident4 Ų422 Ų223%0.02813%0.13CC..  trans-75.3-31.4-172.7-46.60000112.7D22 S193 C194 W196D22-S89 VanDerWaalsContact CG-OG 3.26Å; D22-S89 VanDerWaalsContact OD1-CB 3.29Å; D22-S89 WeakPolarHBondContact OD1-CB 3.27Å; D22-S89 PolarHBondContact OD1-N 3Å; D22-S89 PolarHBondContact OD1-OG 3.14Å; D22-S89 VanDerWaalsContact OD1-OG 3.07Å; D22-S89 WeakPolarHBondContact OD2-CB 3.46Å; D22-S89 PolarHBondContact OD2-OG 3.38Å; S89-S193 CarbonylContact O-C 3.51Å; S89-S193 WeakPolarHBondContact O-CA 3.47Å; S89-S193 WeakPolarHBondContact O-CB 3.45Å; S89-C194 PolarHBondContact O-N 3.13Å; S89-W196 PolarHBondContact OG-NE1 3.46Å
90H76.6Confident82.8Confident25 Ų2518 Ų1812%0.11611%0.109CC..SBendtrans-157.7170.9-178.464-82.1000113.4C92 S93 F94 T116H90-C92 PolarHBondContact CD2-N 3.32Å; H90-C92 PolarHBondContact O-N 3.09Å; H90-C92 VanDerWaalsContact O-N 3.13Å; H90-S93 PolarHBondContact CE1-OG 2.88Å; H90-S93 PolarHBondContact N-OG 3.17Å; H90-S93 PolarHBondContact ND1-OG 3.26Å; H90-S93 VanDerWaalsContact O-CB 3.23Å; H90-S93 WeakPolarHBondContact O-CB 3.47Å; H90-S93 PolarHBondContact O-N 2.98Å; H90-S93 PolarHBondContact O-OG 3.21Å; H90-F94 WeakPolarHBondContact O-CE2 3.43Å; H90-T116 VanDerWaalsContact C-CG2 3.44Å
91S78.7Confident83.2Confident22 Ų2217.1 Ų17.115%0.15411%0.105CC..THydrogen-bonded Turntrans-64.6-18.9-170.758.40000115.4F94S91-F94 WeakPolarHBondContact O-CD2 3.18Å
92C74.9Confident83.3Confident64 Ų6417.5 Ų17.543%0.43210%0.101SC..THydrogen-bonded Turntrans-92.1-4.4174.8-62.10000113.1H90 F94 L95H90-C92 PolarHBondContact CD2-N 3.32Å; H90-C92 PolarHBondContact O-N 3.09Å; H90-C92 VanDerWaalsContact O-N 3.13Å; C92-F94 PolarHBondContact O-N 3.45Å; C92-L95 WeakPolarHBondContact O-CG 3.23Å
93S77.7Confident83.4Confident4 Ų417.3 Ų17.33%0.0289%0.093CC..THydrogen-bonded Turntrans-77.91179.4-60.10000114.5D22 C23 H90D22-S93 WeakPolarHBondContact OD1-CB 3.38Å; D22-S93 PolarHBondContact OD1-OG 3.21Å; C23-S93 CarbonylContact C-O 3.55Å; C23-S93 WeakPolarHBondContact CA-O 3.29Å; C23-S93 WeakPolarHBondContact CB-O 3.48Å; C23-S93 PolarHBondContact N-O 2.81Å; H90-S93 PolarHBondContact CE1-OG 2.88Å; H90-S93 PolarHBondContact N-OG 3.17Å; H90-S93 PolarHBondContact ND1-OG 3.26Å; H90-S93 VanDerWaalsContact O-CB 3.23Å; H90-S93 WeakPolarHBondContact O-CB 3.47Å; H90-S93 PolarHBondContact O-N 2.98Å; H90-S93 PolarHBondContact O-OG 3.21Å
94F80.4Confident83.5Confident1 Ų119.8 Ų19.80%0.00411%0.109CC..THydrogen-bonded Turntrans-92.3-4.6-174.3-64.7-107.7000113.2L88 H90 S91 C92 A96 L97 P98 A112 T116 F126 L167 V170L88-F94 HydrophobicContact CB-CE2 4.3Å; L88-F94 HydrophobicContact CB-CZ 4.13Å; L88-F94 HydrophobicContact CD1-CD1 3.52Å; L88-F94 HydrophobicContact CD1-CD2 4.47Å; L88-F94 HydrophobicContact CD1-CE1 3.16Å; L88-F94 HydrophobicContact CD1-CE2 4.16Å; L88-F94 HydrophobicContact CD1-CG 4.16Å; L88-F94 HydrophobicContact CD1-CZ 3.52Å; L88-F94 HydrophobicContact CG-CE1 4.44Å; L88-F94 HydrophobicContact CG-CZ 4.44Å; H90-F94 WeakPolarHBondContact O-CE2 3.43Å; S91-F94 WeakPolarHBondContact O-CD2 3.18Å; C92-F94 PolarHBondContact O-N 3.45Å; F94-A96 VanDerWaalsContact C-N 3.26Å; F94-A96 PolarHBondContact O-N 3.26Å; F94-A96 VanDerWaalsContact O-N 3.13Å; F94-L97 HydrophobicContact CB-CB 4.42Å; F94-L97 HydrophobicContact CD1-CD2 3.61Å; F94-L97 HydrophobicContact CE1-CD2 4.25Å; F94-L97 HydrophobicContact CG-CD2 4.48Å; F94-L97 WeakPolarHBondContact O-CB 3.5Å; F94-L97 PolarHBondContact O-N 3.34Å; F94-P98 VanDerWaalsContact O-CD 3.31Å; F94-P98 WeakPolarHBondContact O-CD 3.24Å; F94-A112 HydrophobicContact CZ-CB 4.04Å; F94-T116 HydrophobicContact CE2-CG2 3.45Å; F94-T116 VanDerWaalsContact CE2-CG2 3.45Å; F94-T116 HydrophobicContact CZ-CG2 3.69Å; F94-F126 HydrophobicContact CB-CE2 4.14Å; F94-F126 HydrophobicContact CB-CZ 3.78Å; F94-L167 HydrophobicContact CD1-CD2 3.59Å; F94-L167 HydrophobicContact CE1-CD2 3.69Å; F94-V170 HydrophobicContact CE1-CG2 4.28Å
95L77.5Confident83.5Confident11 Ų1120.5 Ų20.56%0.05812%0.118CC..THydrogen-bonded Turntrans-60.2-35.2-162.5-64.5-179.7000113.4C23 L25 L27 C92 V125 Y158C23-L95 PolarHBondContact O-N 3.06Å; L25-L95 HydrophobicContact CB-CB 3.56Å; L25-L95 HydrophobicContact CD2-CB 4.41Å; L27-L95 HydrophobicContact CD1-CD1 4.19Å; C92-L95 WeakPolarHBondContact O-CG 3.23Å; L95-V125 HydrophobicContact CD2-CB 3.61Å; L95-V125 HydrophobicContact CD2-CG1 3.74Å; L95-V125 HydrophobicContact CD2-CG2 3.93Å; L95-Y158 VanDerWaalsContact O-CE1 3.31Å; L95-Y158 WeakPolarHBondContact O-CE1 3.38Å
96A81.2Confident83.7Confident2 Ų220.8 Ų20.82%0.01712%0.118CC..THydrogen-bonded Turntrans-90.1-8.617500000113.5C23 A24 L25 F94 F99 I100C23-A96 HydrophobicContact CB-CB 4.17Å; C23-A96 WeakPolarHBondContact O-CB 3.42Å; C23-A96 PolarHBondContact O-N 3.45Å; A24-A96 WeakPolarHBondContact O-CB 3.5Å; L25-A96 HydrophobicContact CB-CB 4.17Å; L25-A96 HydrophobicContact CD1-CB 4.16Å; F94-A96 VanDerWaalsContact C-N 3.26Å; F94-A96 PolarHBondContact O-N 3.26Å; F94-A96 VanDerWaalsContact O-N 3.13Å; A96-F99 WeakPolarHBondContact O-CB 3.34Å; A96-F99 PolarHBondContact O-N 2.98Å; A96-I100 PolarHBondContact O-N 3.46Å
97L88.2Confident83.7Confident0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-61.6-43.5-170.5-166.870.8000113.5C23 I86 L88 F94 F99 I100 T101 I110 C166 V170C23-L97 HydrophobicContact CB-CB 4.09Å; C23-L97 HydrophobicContact CB-CD1 4.29Å; I86-L97 HydrophobicContact CD1-CD1 3.97Å; I86-L97 HydrophobicContact CG2-CD1 4.09Å; L88-L97 HydrophobicContact CD1-CD2 3.65Å; F94-L97 HydrophobicContact CB-CB 4.42Å; F94-L97 HydrophobicContact CD1-CD2 3.61Å; F94-L97 HydrophobicContact CE1-CD2 4.25Å; F94-L97 HydrophobicContact CG-CD2 4.48Å; F94-L97 WeakPolarHBondContact O-CB 3.5Å; F94-L97 PolarHBondContact O-N 3.34Å; L97-F99 PolarHBondContact O-N 3.08Å; L97-I100 WeakPolarHBondContact O-CA 3.47Å; L97-I100 WeakPolarHBondContact O-CB 3.42Å; L97-I100 PolarHBondContact O-N 3.44Å; L97-T101 HydrophobicContact CD1-CG2 4.22Å; L97-T101 HydrophobicContact CG-CG2 4.11Å; L97-T101 PolarHBondContact O-N 3.32Å; L97-T101 PolarHBondContact O-OG1 2.82Å; L97-I110 HydrophobicContact CD1-CD1 4.29Å; L97-I110 HydrophobicContact CD1-CG2 4.39Å; L97-I110 HydrophobicContact CD2-CG2 4.32Å; L97-C166 WeakPolarHBondContact CD2-SG 3.07Å; L97-C166 WeakPolarHBondContact CG-SG 3.31Å; L97-V170 HydrophobicContact CD2-CG2 4.08Å
98P87Confident83.9Confident1 Ų129.2 Ų29.21%0.00617%0.169CC..Hα-helixtrans-62.6-31.3177.8-21.531.5000113.4F94 I100 E102 F126 Y158 D162 V163 C166F94-P98 VanDerWaalsContact O-CD 3.31Å; F94-P98 WeakPolarHBondContact O-CD 3.24Å; P98-I100 VanDerWaalsContact C-N 3.33Å; P98-E102 VanDerWaalsContact O-CB 3.3Å; P98-E102 WeakPolarHBondContact O-CB 3.11Å; P98-E102 WeakPolarHBondContact O-CG 3.43Å; P98-E102 PolarHBondContact O-N 3.4Å; P98-F126 HydrophobicContact CG-CE1 3.87Å; P98-Y158 HydrophobicContact CB-CD1 3.64Å; P98-Y158 HydrophobicContact CB-CD2 4.49Å; P98-Y158 HydrophobicContact CB-CE1 4.26Å; P98-Y158 HydrophobicContact CB-CG 3.76Å; P98-Y158 HydrophobicContact CG-CD1 3.74Å; P98-Y158 HydrophobicContact CG-CD2 4.35Å; P98-Y158 HydrophobicContact CG-CE1 3.86Å; P98-Y158 HydrophobicContact CG-CG 3.99Å; P98-D162 HydrophobicContact CB-CB 4.47Å; P98-V163 HydrophobicContact CG-CG2 4.2Å; P98-C166 HydrophobicContact CB-CB 4.14Å; P98-C166 HydrophobicContact CG-CB 4.18Å
99F82.5Confident84.1Confident8 Ų830.2 Ų30.24%0.03518%0.177CC..Hα-helixtrans-66.4-39.9173.5-62.5-73.3000111L25 I70 I72 A96 L97 R103 E155 D156 Y158L25-F99 HydrophobicContact CD1-CE2 4.41Å; L25-F99 HydrophobicContact CD2-CE2 3.84Å; I70-F99 HydrophobicContact CD1-CE2 3.84Å; I70-F99 HydrophobicContact CD1-CZ 3.6Å; I72-F99 HydrophobicContact CD1-CB 3.84Å; I72-F99 HydrophobicContact CD1-CD1 3.27Å; I72-F99 HydrophobicContact CD1-CD2 3.85Å; I72-F99 HydrophobicContact CD1-CE1 3.64Å; I72-F99 HydrophobicContact CD1-CE2 4.18Å; I72-F99 HydrophobicContact CD1-CG 3.38Å; I72-F99 HydrophobicContact CD1-CZ 4.09Å; A96-F99 WeakPolarHBondContact O-CB 3.34Å; A96-F99 PolarHBondContact O-N 2.98Å; L97-F99 PolarHBondContact O-N 3.08Å; F99-R103 CarbonylContact O-C 3.57Å; F99-R103 WeakPolarHBondContact O-CA 3.33Å; F99-R103 VanDerWaalsContact O-CB 3.26Å; F99-R103 WeakPolarHBondContact O-CB 3.24Å; F99-R103 PolarHBondContact O-N 3.25Å; F99-E155 HydrophobicContact CE1-CB 4.13Å; F99-D156 WeakPolarHBondContact CE1-O 3.42Å; F99-Y158 AromaticContact CD2-CD1 3.82Å; F99-Y158 HydrophobicContact CD2-CD1 3.82Å; F99-Y158 HydrophobicContact CD2-CE1 4.07Å; F99-Y158 HydrophobicContact CE1-CD1 4.18Å; F99-Y158 AromaticContact CE2-CD1 3.36Å; F99-Y158 HydrophobicContact CE2-CD1 3.36Å; F99-Y158 AromaticContact CE2-CE1 3.5Å; F99-Y158 HydrophobicContact CE2-CE1 3.5Å; F99-Y158 HydrophobicContact CG-CD1 4.41Å; F99-Y158 AromaticContact CZ-CD1 3.57Å; F99-Y158 HydrophobicContact CZ-CD1 3.57Å; F99-Y158 HydrophobicContact CZ-CE1 4.06Å; F99-Y158 HydrophobicContact CZ-CG 4.49Å
100I86.7Confident84.8Confident5 Ų530.1 Ų30.13%0.02618%0.177CC..Hα-helixtrans-68-50178.8-61.6165.8000110.2M20 C23 M80 I86 A96 L97 P98 T104 F106M20-I100 HydrophobicContact CE-CD1 3.83Å; M20-I100 HydrophobicContact SD-CD1 4.2Å; C23-I100 HydrophobicContact CB-CD1 4.07Å; C23-I100 VanDerWaalsContact SG-CD1 3.55Å; M80-I100 HydrophobicContact CE-CD1 4.47Å; M80-I100 HydrophobicContact CE-CG1 4.22Å; M80-I100 HydrophobicContact SD-CG2 4.28Å; I86-I100 HydrophobicContact CD1-CG2 3.89Å; A96-I100 PolarHBondContact O-N 3.46Å; L97-I100 WeakPolarHBondContact O-CA 3.47Å; L97-I100 WeakPolarHBondContact O-CB 3.42Å; L97-I100 PolarHBondContact O-N 3.44Å; P98-I100 VanDerWaalsContact C-N 3.33Å; I100-T104 WeakPolarHBondContact O-CB 3.42Å; I100-T104 PolarHBondContact O-N 2.83Å; I100-T104 PolarHBondContact O-OG1 3.44Å; I100-F106 HydrophobicContact CG2-CB 3.82Å; I100-F106 HydrophobicContact CG2-CD1 4.3Å; I100-F106 HydrophobicContact CG2-CG 3.98Å
101T90Very high85.5Confident9 Ų929.4 Ų29.46%0.05517%0.173CC..Hα-helixtrans-77.9-30.1-172.260.40000114.4L97 F106 I110 C166 K169L97-T101 HydrophobicContact CD1-CG2 4.22Å; L97-T101 HydrophobicContact CG-CG2 4.11Å; L97-T101 PolarHBondContact O-N 3.32Å; L97-T101 PolarHBondContact O-OG1 2.82Å; T101-F106 HydrophobicContact CG2-CD1 4.38Å; T101-I110 HydrophobicContact CG2-CD1 3.49Å; T101-I110 VanDerWaalsContact CG2-CD1 3.49Å; T101-C166 WeakPolarHBondContact OG1-CB 3.47Å; T101-K169 HydrophobicContact CG2-CD 4.4Å; T101-K169 PolarHBondContact O-NZ 3.45Å
102E88.2Confident86Confident64 Ų6428.3 Ų28.330%0.29917%0.166SC..Hα-helixtrans-104.4-21-175.5-50.1-41.712700113.3P98 D162 C166 K169P98-E102 VanDerWaalsContact O-CB 3.3Å; P98-E102 WeakPolarHBondContact O-CB 3.11Å; P98-E102 WeakPolarHBondContact O-CG 3.43Å; P98-E102 PolarHBondContact O-N 3.4Å; E102-D162 HydrophobicContact CG-CB 4.18Å; E102-C166 WeakPolarHBondContact OE1-CA 3.35Å; E102-C166 PolarHBondContact OE1-N 3.38Å; E102-K169 IonicContact OE1-NZ 3.86Å; E102-K169 PolarHBondContact OE1-NZ 3.47Å; E102-K169 IonicContact OE2-NZ 2.65Å; E102-K169 PolarHBondContact OE2-NZ 2.87Å
103R84.8Confident86.4Confident87 Ų8725.6 Ų25.633%0.32815%0.147SC..Hα-helixtrans-121.23.9-174.7-46.3-169-171.4174.23.6114.4F99 E155 D156 F157 D162F99-R103 CarbonylContact O-C 3.57Å; F99-R103 WeakPolarHBondContact O-CA 3.33Å; F99-R103 VanDerWaalsContact O-CB 3.26Å; F99-R103 WeakPolarHBondContact O-CB 3.24Å; F99-R103 PolarHBondContact O-N 3.25Å; R103-E155 IonicContact CZ-OE2 2.88Å; R103-E155 IonicContact NH1-OE2 2.71Å; R103-E155 PolarHBondContact NH1-OE2 3.3Å; R103-D156 PolarHBondContact NH1-O 3.18Å; R103-D156 PolarHBondContact NH2-O 3.18Å; R103-F157 PolarHBondContact NH2-O 2.65Å; R103-D162 IonicContact NH2-OD2 3.87Å
104T85.3Confident86.9Confident56 Ų5629.5 Ų29.534%0.34417%0.165SC..SBendtrans-127.1171.4173.383.60000111.6M80 I100 F106M80-T104 WeakPolarHBondContact CB-OG1 3.3Å; M80-T104 HydrophobicContact CG-CG2 4.16Å; I100-T104 WeakPolarHBondContact O-CB 3.42Å; I100-T104 PolarHBondContact O-N 2.83Å; I100-T104 PolarHBondContact O-OG1 3.44Å; T104-F106 PolarHBondContact O-N 3.17Å; T104-F106 PolarHBondContact OG1-N 2.88Å
105A85.6Confident87.1Confident59 Ų5931.8 Ų31.849%0.48818%0.18SC..  trans-83.318.8178.800000113.8N107A105-N107 PolarHBondContact O-N 2.91Å
106F91Very high87.4Confident14 Ų1431.3 Ų31.36%0.06118%0.177CC..  trans-61.8122.9176.3173.5-102.2000110.9M80 L83 I86 I100 T101 T104 G108 I110M80-F106 HydrophobicContact CB-CB 4.39Å; L83-F106 HydrophobicContact CB-CD2 3.73Å; L83-F106 HydrophobicContact CB-CE2 3.67Å; L83-F106 HydrophobicContact CD1-CD2 4.32Å; I86-F106 HydrophobicContact CB-CZ 4.37Å; I86-F106 HydrophobicContact CD1-CD1 4.09Å; I86-F106 HydrophobicContact CD1-CD2 4.07Å; I86-F106 HydrophobicContact CD1-CE1 3.71Å; I86-F106 HydrophobicContact CD1-CE2 3.68Å; I86-F106 HydrophobicContact CD1-CG 4.24Å; I86-F106 HydrophobicContact CD1-CZ 3.47Å; I86-F106 VanDerWaalsContact CD1-CZ 3.47Å; I86-F106 HydrophobicContact CG1-CD2 4.47Å; I86-F106 HydrophobicContact CG1-CE1 4.31Å; I86-F106 HydrophobicContact CG1-CE2 3.7Å; I86-F106 HydrophobicContact CG1-CZ 3.59Å; I100-F106 HydrophobicContact CG2-CB 3.82Å; I100-F106 HydrophobicContact CG2-CD1 4.3Å; I100-F106 HydrophobicContact CG2-CG 3.98Å; T101-F106 HydrophobicContact CG2-CD1 4.38Å; T104-F106 PolarHBondContact O-N 3.17Å; T104-F106 PolarHBondContact OG1-N 2.88Å; F106-G108 WeakPolarHBondContact CE1-O 3.46Å; F106-G108 VanDerWaalsContact CZ-CA 3.41Å; F106-G108 WeakPolarHBondContact CZ-O 3.38Å; F106-I110 HydrophobicContact CE1-CD1 3.86Å; F106-I110 HydrophobicContact CE1-CG1 3.58Å; F106-I110 HydrophobicContact CZ-CG1 3.95Å
107N89.8Confident87.7Confident153 Ų15332 Ų3282%0.81818%0.182SC*.  trans-126.813.1178.7-75.1-34.2000112.7A105A105-N107 PolarHBondContact O-N 2.91Å
108G90.1Very high87.5Confident24 Ų2436.7 Ų36.725%0.24720%0.204CC..SBendtrans-76.7178.9179.700000113.5S84 F106S84-G108 CarbonylContact O-C 3.49Å; S84-G108 WeakPolarHBondContact O-CA 3.46Å; F106-G108 WeakPolarHBondContact CE1-O 3.46Å; F106-G108 VanDerWaalsContact CZ-CA 3.41Å; F106-G108 WeakPolarHBondContact CZ-O 3.38Å
109A92Very high87.2Confident22 Ų2241.2 Ų41.218%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-82.5150.3173.600000111.2S84 V85 I86 F111S84-A109 PolarHBondContact O-N 3.35Å; V85-A109 CarbonylContact C-O 3.44Å; V85-A109 VanDerWaalsContact CA-O 3.26Å; V85-A109 WeakPolarHBondContact CA-O 3.36Å; I86-A109 PolarHBondContact N-O 3.19Å; A109-F111 HydrophobicContact CB-CD2 4.4Å; A109-F111 HydrophobicContact CB-CE2 3.6Å; A109-F111 HydrophobicContact CB-CZ 3.87Å
110I93.5Very high86.8Confident2 Ų240.8 Ų40.81%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-123.8125.1175.9-49.2167.1000107.7I86 L88 L97 T101 F106 K169 V170 Q171I86-I110 HydrophobicContact CB-CG1 4.29Å; I86-I110 HydrophobicContact CB-CG2 4.14Å; I86-I110 HydrophobicContact CD1-CG1 4.48Å; I86-I110 HydrophobicContact CG2-CG2 4.19Å; I86-I110 CarbonylContact O-C 3.56Å; I86-I110 WeakPolarHBondContact O-CA 3.26Å; L88-I110 HydrophobicContact CD1-CG2 3.74Å; L88-I110 HydrophobicContact CG-CG2 4.23Å; L97-I110 HydrophobicContact CD1-CD1 4.29Å; L97-I110 HydrophobicContact CD1-CG2 4.39Å; L97-I110 HydrophobicContact CD2-CG2 4.32Å; T101-I110 HydrophobicContact CG2-CD1 3.49Å; T101-I110 VanDerWaalsContact CG2-CD1 3.49Å; F106-I110 HydrophobicContact CE1-CD1 3.86Å; F106-I110 HydrophobicContact CE1-CG1 3.58Å; F106-I110 HydrophobicContact CZ-CG1 3.95Å; I110-K169 HydrophobicContact CD1-CB 4.14Å; I110-V170 HydrophobicContact CB-CG2 4.39Å; I110-V170 HydrophobicContact CG2-CB 4.45Å; I110-V170 HydrophobicContact CG2-CG1 4.19Å; I110-V170 HydrophobicContact CG2-CG2 3.93Å; I110-Q171 WeakPolarHBondContact O-CB 3.36Å; I110-Q171 PolarHBondContact O-N 3.43Å
111F90.7Very high86.1Confident9 Ų945.1 Ų45.14%0.03924%0.237CC..EExtended strand (participates in β ladder)trans-118.8138.3179.2-61.7-76.5000112.2V85 I86 L87 L88 A109 Q171 F179 W196V85-F111 HydrophobicContact CG1-CD2 3.68Å; V85-F111 HydrophobicContact CG1-CE2 3.98Å; I86-F111 PolarHBondContact O-N 3.26Å; L87-F111 HydrophobicContact CD2-CB 3.87Å; L87-F111 HydrophobicContact CD2-CD2 3.94Å; L87-F111 HydrophobicContact CD2-CG 4.37Å; L88-F111 PolarHBondContact N-O 3.03Å; A109-F111 HydrophobicContact CB-CD2 4.4Å; A109-F111 HydrophobicContact CB-CE2 3.6Å; A109-F111 HydrophobicContact CB-CZ 3.87Å; F111-Q171 WeakPolarHBondContact CA-O 3.25Å; F111-Q171 HydrophobicContact CD1-CB 3.81Å; F111-Q171 HydrophobicContact CE1-CB 3.82Å; F111-Q171 VanDerWaalsContact CE1-OE1 3.27Å; F111-F179 HydrophobicContact CE1-CB 4.49Å; F111-F179 HydrophobicContact CE1-CD1 4.31Å; F111-F179 HydrophobicContact CE1-CD2 4.37Å; F111-F179 HydrophobicContact CE1-CG 4.13Å; F111-F179 AromaticContact CE2-CD1 3.53Å; F111-F179 HydrophobicContact CE2-CD1 3.53Å; F111-F179 AromaticContact CE2-CE1 3.81Å; F111-F179 HydrophobicContact CE2-CE1 3.81Å; F111-F179 HydrophobicContact CE2-CG 4.13Å; F111-F179 HydrophobicContact CZ-CB 4.28Å; F111-F179 AromaticContact CZ-CD1 3.36Å; F111-F179 HydrophobicContact CZ-CD1 3.36Å; F111-F179 HydrophobicContact CZ-CD2 4Å; F111-F179 AromaticContact CZ-CE1 3.56Å; F111-F179 HydrophobicContact CZ-CE1 3.56Å; F111-F179 HydrophobicContact CZ-CE2 4.17Å; F111-F179 AromaticContact CZ-CG 3.6Å; F111-F179 HydrophobicContact CZ-CG 3.6Å; F111-F179 AromaticContact CZ-CZ 3.96Å; F111-F179 HydrophobicContact CZ-CZ 3.96Å; F111-W196 HydrophobicContact CB-CH2 3.78Å; F111-W196 HydrophobicContact CB-CZ3 4.34Å
112A88.5Confident85.1Confident0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-151.5159.7171.900000109L88 F94 T116 V117 V170 Q171 T172 I173L88-A112 HydrophobicContact CB-CB 3.96Å; L88-A112 HydrophobicContact CD1-CB 4.33Å; F94-A112 HydrophobicContact CZ-CB 4.04Å; A112-T116 HydrophobicContact CB-CG2 4.11Å; A112-V117 HydrophobicContact CB-CG2 3.74Å; A112-V170 HydrophobicContact CB-CG1 3.72Å; A112-Q171 PolarHBondContact N-O 2.71Å; A112-Q171 VanDerWaalsContact N-O 3.17Å; A112-T172 CarbonylContact O-C 3.53Å; A112-T172 VanDerWaalsContact O-CA 3.24Å; A112-T172 WeakPolarHBondContact O-CA 3.49Å; A112-I173 PolarHBondContact O-N 3.22Å
113S84.6Confident83.9Confident6 Ų648.8 Ų48.84%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-70.4152.6168.9730000111.1T116 V117 I173 G192S113-T116 WeakPolarHBondContact O-CA 3.38Å; S113-T116 WeakPolarHBondContact O-CB 3.44Å; S113-T116 PolarHBondContact O-N 3.15Å; S113-T116 VanDerWaalsContact OG-CB 3.23Å; S113-T116 WeakPolarHBondContact OG-CB 3.27Å; S113-T116 PolarHBondContact OG-N 3.43Å; S113-T116 PolarHBondContact OG-OG1 2.97Å; S113-V117 PolarHBondContact O-N 2.91Å; S113-I173 WeakPolarHBondContact CA-O 3.32Å; S113-G192 WeakPolarHBondContact CB-O 3.23Å; S113-G192 PolarHBondContact OG-O 3.08Å
114E86.5Confident82.2Confident86 Ų8648.7 Ų48.740%0.40226%0.261SS..Hα-helixtrans-51.6-49.5177.617866.7-137.600112.9T116 V117 Q118 T172E114-T116 VanDerWaalsContact C-N 3.25Å; E114-T116 PolarHBondContact O-N 2.87Å; E114-V117 PolarHBondContact O-N 3.26Å; E114-V117 VanDerWaalsContact O-N 3.15Å; E114-Q118 WeakPolarHBondContact O-CG 3.37Å; E114-Q118 PolarHBondContact O-N 3.28Å; E114-Q118 WeakPolarHBondContact OE1-CG 3.28Å; E114-Q118 PolarHBondContact OE1-NE2 3.09Å; E114-T172 HydrophobicContact CB-CG2 4.31Å; E114-T172 VanDerWaalsContact OE2-CG2 3.26Å; E114-T172 WeakPolarHBondContact OE2-CG2 3.39Å; E114-T172 PolarHBondContact OE2-OG1 3.38Å
115P85Confident80.9Confident50 Ų5047.5 Ų47.533%0.32525%0.254SS..Hα-helixtrans-65-32.7179.9-14.628.1000112V117 Q118 F119 I191P115-V117 VanDerWaalsContact C-N 3.34Å; P115-V117 PolarHBondContact O-N 2.95Å; P115-Q118 PolarHBondContact O-N 3.39Å; P115-F119 HydrophobicContact CB-CD2 4.4Å; P115-F119 WeakPolarHBondContact O-CB 3.45Å; P115-F119 WeakPolarHBondContact O-CD2 3.35Å; P115-F119 PolarHBondContact O-N 3.01Å; P115-I191 HydrophobicContact CB-CG2 4.16Å
116T84.8Confident79.3Confident0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-63.6-39.2176.4-72.70000111.7H90 F94 A112 S113 E114 G120 G192H90-T116 VanDerWaalsContact C-CG2 3.44Å; F94-T116 HydrophobicContact CE2-CG2 3.45Å; F94-T116 VanDerWaalsContact CE2-CG2 3.45Å; F94-T116 HydrophobicContact CZ-CG2 3.69Å; A112-T116 HydrophobicContact CB-CG2 4.11Å; S113-T116 WeakPolarHBondContact O-CA 3.38Å; S113-T116 WeakPolarHBondContact O-CB 3.44Å; S113-T116 PolarHBondContact O-N 3.15Å; S113-T116 VanDerWaalsContact OG-CB 3.23Å; S113-T116 WeakPolarHBondContact OG-CB 3.27Å; S113-T116 PolarHBondContact OG-N 3.43Å; S113-T116 PolarHBondContact OG-OG1 2.97Å; E114-T116 VanDerWaalsContact C-N 3.25Å; E114-T116 PolarHBondContact O-N 2.87Å; T116-G120 PolarHBondContact O-N 3.15Å; T116-G192 PolarHBondContact OG1-O 3.07Å
117V86.8Confident77.3Confident18 Ų1850 Ų5011%0.10925%0.254CS..Hα-helixtrans-65.8-46.6173.3-179.70000111.3A112 S113 E114 P115 G120 W121 V170 T172A112-V117 HydrophobicContact CB-CG2 3.74Å; S113-V117 PolarHBondContact O-N 2.91Å; E114-V117 PolarHBondContact O-N 3.26Å; E114-V117 VanDerWaalsContact O-N 3.15Å; P115-V117 VanDerWaalsContact C-N 3.34Å; P115-V117 PolarHBondContact O-N 2.95Å; V117-G120 PolarHBondContact O-N 2.98Å; V117-W121 PolarHBondContact O-N 2.76Å; V117-W121 VanDerWaalsContact O-N 3.14Å; V117-V170 HydrophobicContact CG2-CB 4.3Å; V117-V170 HydrophobicContact CG2-CG1 3.62Å; V117-T172 HydrophobicContact CB-CG2 4.34Å; V117-T172 HydrophobicContact CG2-CG2 3.76Å
118Q85Confident75.4Confident98 Ų9849.9 Ų49.946%0.45825%0.248SC..Hα-helixtrans-60.7-48.4179.4-66.7-63.6-27.400111.9E114 P115 G120 W121 Y122E114-Q118 WeakPolarHBondContact O-CG 3.37Å; E114-Q118 PolarHBondContact O-N 3.28Å; E114-Q118 WeakPolarHBondContact OE1-CG 3.28Å; E114-Q118 PolarHBondContact OE1-NE2 3.09Å; P115-Q118 PolarHBondContact O-N 3.39Å; Q118-G120 VanDerWaalsContact C-N 3.35Å; Q118-W121 WeakPolarHBondContact O-CB 3.48Å; Q118-W121 PolarHBondContact O-N 3Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.37Å
119F80.7Confident73.3Confident95 Ų9550.2 Ų50.242%0.41724%0.244SC..Hα-helixtrans-69.5-32.9177-78.6-67.4000112.6P115 W121 Y122 C123 I191P115-F119 HydrophobicContact CB-CD2 4.4Å; P115-F119 WeakPolarHBondContact O-CB 3.45Å; P115-F119 WeakPolarHBondContact O-CD2 3.35Å; P115-F119 PolarHBondContact O-N 3.01Å; F119-W121 VanDerWaalsContact C-N 3.28Å; F119-W121 PolarHBondContact O-N 3.41Å; F119-Y122 PolarHBondContact O-N 3.05Å; F119-Y122 VanDerWaalsContact O-N 3.09Å; F119-C123 PolarHBondContact O-N 2.82Å; F119-I191 HydrophobicContact CD2-CB 4.41Å; F119-I191 HydrophobicContact CD2-CG2 4.33Å; F119-I191 HydrophobicContact CE2-CB 3.79Å; F119-I191 HydrophobicContact CE2-CD1 4.46Å; F119-I191 HydrophobicContact CE2-CG2 3.56Å; F119-I191 HydrophobicContact CZ-CB 4.42Å; F119-I191 HydrophobicContact CZ-CD1 4.29Å; F119-I191 HydrophobicContact CZ-CG2 4.37Å
120G73Confident71.1Confident0 Ų052.1 Ų52.10%025%0.251CS..Hα-helixtrans-55.3-43.317400000111.8T116 V117 Q118 Y122 C123 F126T116-G120 PolarHBondContact O-N 3.15Å; V117-G120 PolarHBondContact O-N 2.98Å; Q118-G120 VanDerWaalsContact C-N 3.35Å; G120-Y122 PolarHBondContact O-N 2.87Å; G120-C123 WeakPolarHBondContact O-CB 3.44Å; G120-C123 PolarHBondContact O-N 2.84Å; G120-C123 VanDerWaalsContact O-N 3.1Å; G120-F126 WeakPolarHBondContact O-CD2 3.24Å; G120-F126 VanDerWaalsContact O-CE2 3.24Å; G120-F126 WeakPolarHBondContact O-CE2 3.34Å
121W72.1Confident68.5Low95 Ų9558.2 Ų58.236%0.3628%0.279SS..Hα-helixtrans-56.6-34.5176.1-172.1-87.4000113.7V117 Q118 F119 K164 L167V117-W121 PolarHBondContact O-N 2.76Å; V117-W121 VanDerWaalsContact O-N 3.14Å; Q118-W121 WeakPolarHBondContact O-CB 3.48Å; Q118-W121 PolarHBondContact O-N 3Å; F119-W121 VanDerWaalsContact C-N 3.28Å; F119-W121 PolarHBondContact O-N 3.41Å; W121-K164 HydrophobicContact CH2-CB 3.85Å; W121-K164 HydrophobicContact CH2-CD 3.7Å; W121-K164 HydrophobicContact CH2-CG 3.36Å; W121-K164 HydrophobicContact CZ2-CD 4.21Å; W121-K164 HydrophobicContact CZ2-CG 4.09Å; W121-K164 HydrophobicContact CZ3-CB 4.15Å; W121-K164 HydrophobicContact CZ3-CG 4.07Å; W121-L167 HydrophobicContact CB-CD1 4.12Å; W121-L167 HydrophobicContact CD2-CD1 4.14Å; W121-L167 HydrophobicContact CE3-CB 4.26Å; W121-L167 HydrophobicContact CE3-CD1 3.35Å; W121-L167 HydrophobicContact CE3-CG 4.42Å; W121-L167 HydrophobicContact CZ3-CB 4.38Å; W121-L167 HydrophobicContact CZ3-CD1 4.09Å
122Y68.3Low66.1Low137 Ų13760.7 Ų60.754%0.53730%0.297SS..Hα-helixtrans-91.5-3.2-178.8-67-76.7000114Q118 F119 G120 P124Q118-Y122 WeakPolarHBondContact O-CD2 3.37Å; F119-Y122 PolarHBondContact O-N 3.05Å; F119-Y122 VanDerWaalsContact O-N 3.09Å; G120-Y122 PolarHBondContact O-N 2.87Å; Y122-P124 WeakPolarHBondContact O-CD 3.45Å; Y122-P124 VanDerWaalsContact O-N 3.13Å
123C63.1Low63.6Low13 Ų1364.7 Ų64.79%0.08833%0.325CS..  trans-56.5122.5-177.3-177.70000109.7F119 G120 V125 F126F119-C123 PolarHBondContact O-N 2.82Å; G120-C123 WeakPolarHBondContact O-CB 3.44Å; G120-C123 PolarHBondContact O-N 2.84Å; G120-C123 VanDerWaalsContact O-N 3.1Å; C123-V125 PolarHBondContact O-N 2.85Å; C123-F126 HydrophobicContact CB-CD2 3.71Å; C123-F126 HydrophobicContact CB-CE2 4.02Å; C123-F126 WeakPolarHBondContact O-CB 3.33Å; C123-F126 PolarHBondContact O-N 2.79Å
124P51Low61.2Low85 Ų8574.1 Ų74.155%0.55236%0.361SS*.Hα-helixtrans-57.4-25.9-171.7-27.433.6000113.8Y122 F126 K127 H128Y122-P124 WeakPolarHBondContact O-CD 3.45Å; Y122-P124 VanDerWaalsContact O-N 3.13Å; P124-F126 PolarHBondContact O-N 2.8Å; P124-K127 PolarHBondContact O-N 2.82Å; P124-H128 WeakPolarHBondContact O-CB 3.39Å; P124-H128 PolarHBondContact O-N 2.79Å
125V56Low59Low32 Ų3273.3 Ų73.319%0.19436%0.357CS..Hα-helixtrans-59.9-34176.2-176.70000111.3L27 L95 C123 N129L27-V125 HydrophobicContact CD1-CG1 3.87Å; L27-V125 HydrophobicContact CD1-CG2 3.92Å; L27-V125 HydrophobicContact CD2-CG1 4.34Å; L95-V125 HydrophobicContact CD2-CB 3.61Å; L95-V125 HydrophobicContact CD2-CG1 3.74Å; L95-V125 HydrophobicContact CD2-CG2 3.93Å; C123-V125 PolarHBondContact O-N 2.85Å; V125-N129 PolarHBondContact O-ND2 3.4Å
126F53.8Low56.5Low9 Ų978.9 Ų78.94%0.03938%0.378CS..Hα-helixtrans-69-41.8172.6-66-65.6000111.9F94 P98 G120 C123 P124 L130 Y158 V163F94-F126 HydrophobicContact CB-CE2 4.14Å; F94-F126 HydrophobicContact CB-CZ 3.78Å; P98-F126 HydrophobicContact CG-CE1 3.87Å; G120-F126 WeakPolarHBondContact O-CD2 3.24Å; G120-F126 VanDerWaalsContact O-CE2 3.24Å; G120-F126 WeakPolarHBondContact O-CE2 3.34Å; C123-F126 HydrophobicContact CB-CD2 3.71Å; C123-F126 HydrophobicContact CB-CE2 4.02Å; C123-F126 WeakPolarHBondContact O-CB 3.33Å; C123-F126 PolarHBondContact O-N 2.79Å; P124-F126 PolarHBondContact O-N 2.8Å; F126-L130 VanDerWaalsContact O-CD1 3.24Å; F126-L130 WeakPolarHBondContact O-CD1 3.46Å; F126-Y158 HydrophobicContact CD1-CD2 4.3Å; F126-Y158 AromaticContact CD1-CE2 3.33Å; F126-Y158 HydrophobicContact CD1-CE2 3.33Å; F126-Y158 AromaticContact CD1-CZ 3.55Å; F126-Y158 VanDerWaalsContact CD1-OH 3.29Å; F126-Y158 WeakPolarHBondContact CD1-OH 3.26Å; F126-Y158 HydrophobicContact CE1-CE1 4.34Å; F126-Y158 AromaticContact CE1-CE2 3.72Å; F126-Y158 HydrophobicContact CE1-CE2 3.72Å; F126-Y158 AromaticContact CE1-CZ 3.51Å; F126-Y158 VanDerWaalsContact CE1-OH 3.23Å; F126-Y158 WeakPolarHBondContact CE1-OH 3.34Å; F126-Y158 HydrophobicContact CG-CE2 4.45Å; F126-V163 HydrophobicContact CD1-CB 4.16Å; F126-V163 HydrophobicContact CD1-CG1 3.62Å; F126-V163 HydrophobicContact CD1-CG2 3.35Å; F126-V163 HydrophobicContact CE1-CG1 3.93Å; F126-V163 HydrophobicContact CE1-CG2 3.8Å; F126-V163 HydrophobicContact CG-CG1 4.03Å; F126-V163 HydrophobicContact CG-CG2 4.31Å
127K49.1Very low54.1Low116 Ų11682.9 Ų82.950%0.50441%0.406SS..Hα-helixtrans-81.2-43.2-176.3-77.5-170.5175.3-1770114.4P124 L130 H131P124-K127 PolarHBondContact O-N 2.82Å; K127-L130 PolarHBondContact O-N 3.49Å; K127-H131 PolarHBondContact O-N 2.8Å
128H48.4Very low51.6Low150 Ų15083.9 Ų83.969%0.69441%0.412SS*.Hα-helixtrans-75.5-29.5-167.3-117.9-32.8000113P124 L130P124-H128 WeakPolarHBondContact O-CB 3.39Å; P124-H128 PolarHBondContact O-N 2.79Å; H128-L130 PolarHBondContact O-N 3.18Å
129N47.4Very low49.2Very low32 Ų3285.1 Ų85.117%0.17142%0.422CS..THydrogen-bonded Turntrans-74.2-17.1174-68.9-58.1000112.7V125 F157V125-N129 PolarHBondContact O-ND2 3.4Å; N129-F157 HydrophobicContact CB-CD1 3.68Å; N129-F157 HydrophobicContact CB-CE1 3.9Å; N129-F157 HydrophobicContact CB-CG 4.16Å; N129-F157 WeakPolarHBondContact ND2-CE1 3.34Å
130L44.4Very low47Very low61 Ų6184.9 Ų84.932%0.31944%0.438SS..THydrogen-bonded Turntrans-95.1-11.7179-68.9171.5000114F126 K127 H128 S132 Q160F126-L130 VanDerWaalsContact O-CD1 3.24Å; F126-L130 WeakPolarHBondContact O-CD1 3.46Å; K127-L130 PolarHBondContact O-N 3.49Å; H128-L130 PolarHBondContact O-N 3.18Å; L130-S132 PolarHBondContact O-N 2.87Å; L130-Q160 HydrophobicContact CD1-CB 3.72Å; L130-Q160 HydrophobicContact CD1-CG 4.17Å
131H40Very low45Very low131 Ų13188.2 Ų88.261%0.60647%0.472SS*.  trans-74.882.9175-114-93.5000110.6K127 S133K127-H131 PolarHBondContact O-N 2.8Å; H131-S133 PolarHBondContact O-N 2.75Å
132S39.6Very low43Very low60 Ų6085.9 Ų85.942%0.4247%0.473SS..G310 helixtrans-41.4-13.1175.4179.20000116.6L130 Y134 F135 Q136L130-S132 PolarHBondContact O-N 2.87Å; S132-Y134 PolarHBondContact O-N 3.39Å; S132-Y134 VanDerWaalsContact O-N 3.14Å; S132-F135 PolarHBondContact O-N 3.04Å; S132-Q136 PolarHBondContact O-N 2.97Å
133S35.7Very low41.3Very low84 Ų8482 Ų8259%0.58747%0.465SS*.G310 helixtrans-65.6-19.7-177.132.90000114.2H131H131-S133 PolarHBondContact O-N 2.75Å
134Y34.8Very low39.7Very low205 Ų20592.2 Ų92.280%0.80450%0.502SS*.G310 helixtrans-91.4-7.3168.3-80.1-83.1000114.2S132S132-Y134 PolarHBondContact O-N 3.39Å; S132-Y134 VanDerWaalsContact O-N 3.14Å
135F39.5Very low38.8Very low69 Ų6992.6 Ų92.630%0.30350%0.502SS..THydrogen-bonded Turntrans-109.4-10.5-166.3-68.3-90.9000115.1F68 S132 S137F68-F135 HydrophobicContact CB-CE1 4.2Å; F68-F135 HydrophobicContact CD2-CD1 4.49Å; F68-F135 AromaticContact CD2-CE1 3.39Å; F68-F135 HydrophobicContact CD2-CE1 3.39Å; F68-F135 AromaticContact CD2-CZ 3.55Å; F68-F135 HydrophobicContact CD2-CZ 3.55Å; F68-F135 HydrophobicContact CE2-CE1 4.13Å; F68-F135 HydrophobicContact CE2-CZ 4.01Å; F68-F135 HydrophobicContact CG-CE1 4.17Å; F68-F135 HydrophobicContact CG-CZ 4.25Å; S132-F135 PolarHBondContact O-N 3.04Å; F135-S137 PolarHBondContact O-N 2.92Å
136Q33.5Very low37.6Very low167 Ų16799.3 Ų99.378%0.7853%0.529SS*.SBendtrans-63.810.3-170.1-81.7-177.6-600116.9S132S132-Q136 PolarHBondContact O-N 2.97Å
137S33.7Very low36.4Very low84 Ų84103 Ų10359%0.58755%0.546SS*.SBendtrans-139.955.6178.158.40000112.6S65 F135S65-S137 PolarHBondContact OG-O 2.72Å; S65-S137 PolarHBondContact OG-OG 3.31Å; F135-S137 PolarHBondContact O-N 2.92Å
138V35Very low35.6Very low38 Ų38108.7 Ų108.723%0.2356%0.564CS.*  trans-137.5120.2162.8-158.60000111.7T63 S65 K67 A140T63-V138 HydrophobicContact CG2-CG1 4.2Å; S65-V138 VanDerWaalsContact CB-CG2 3.41Å; S65-V138 WeakPolarHBondContact O-CG2 3.42Å; S65-V138 WeakPolarHBondContact OG-CG2 3.14Å; K67-V138 HydrophobicContact CD-CG1 4.25Å; K67-V138 VanDerWaalsContact CE-CG1 3.41Å; K67-V138 HydrophobicContact CG-CB 4.28Å; K67-V138 HydrophobicContact CG-CG1 3.94Å; K67-V138 HydrophobicContact CG-CG2 4.48Å; V138-A140 PolarHBondContact O-N 3.24Å
139D34.4Very low35.1Very low124 Ų124107.9 Ų107.966%0.66356%0.558SS**  trans-51.7120.4174.2-149.9-15.1000110.9K67 G141K67-D139 WeakPolarHBondContact CE-O 3.41Å; K67-D139 PolarHBondContact NZ-O 2.78Å; D139-G141 PolarHBondContact O-N 3.47Å
140A35Very low34.9Very low91 Ų91116 Ų11675%0.75259%0.587SS**G310 helixtrans-61.5-25.4-176.800000111.8K67 V138 A142K67-A140 PolarHBondContact NZ-O 2.97Å; V138-A140 PolarHBondContact O-N 3.24Å; A140-A142 PolarHBondContact O-N 3.45Å
141G29.7Very low35.1Very low69 Ų69117.3 Ų117.371%0.71159%0.594SS**G310 helixtrans-75.9-15.7-17200000117.3D139D139-G141 PolarHBondContact O-N 3.47Å
142A31.8Very low35.6Very low47 Ų47112.2 Ų112.239%0.38857%0.572SS.*G310 helixtrans-92.5-6.6-161.200000117.7A140A140-A142 PolarHBondContact O-N 3.45Å
143C31.8Very low36.3Very low55 Ų55112 Ų11237%0.37257%0.566SS.*  trans-130.674.8-178.7-80.60000112.2K67K67-C143 HydrophobicContact CD-CB 4.47Å
144R29.8Very low37.3Very low227 Ų227111.1 Ų111.186%0.85755%0.55SS**  trans-10533.7156.4-74.2-170.6172.2-165-1.7111.2F146R144-F146 WeakPolarHBondContact O-CD2 3.23Å; R144-F146 PolarHBondContact O-N 2.98Å
145V31.6Very low38.6Very low93 Ų93104.8 Ų104.856%0.56453%0.528SS*.  trans-81.990.5-179.7-167.30000108.3F147V145-F147 VanDerWaalsContact C-N 3.32Å; V145-F147 HydrophobicContact CB-CD2 4.35Å; V145-F147 HydrophobicContact CB-CE2 4.15Å; V145-F147 HydrophobicContact CG1-CD2 3.74Å; V145-F147 HydrophobicContact CG1-CE2 3.34Å; V145-F147 HydrophobicContact CG1-CG 4.49Å; V145-F147 HydrophobicContact CG1-CZ 3.8Å; V145-F147 PolarHBondContact O-N 3.39Å
146F31Very low39.9Very low174 Ų174106.8 Ų106.876%0.76354%0.542SS*.  trans-60.288.6170-79.9-93.5000110R144 R148R144-F146 WeakPolarHBondContact O-CD2 3.23Å; R144-F146 PolarHBondContact O-N 2.98Å; F146-R148 VanDerWaalsContact C-N 3.28Å; F146-R148 PolarHBondContact O-N 3.08Å
147F29.3Very low41.6Very low87 Ų87100.2 Ų100.238%0.38251%0.511SS..  trans-80.782.9165.2-79.7-71.5000109.4C55 V145 K149C55-F147 HydrophobicContact CB-CB 3.92Å; V145-F147 VanDerWaalsContact C-N 3.32Å; V145-F147 HydrophobicContact CB-CD2 4.35Å; V145-F147 HydrophobicContact CB-CE2 4.15Å; V145-F147 HydrophobicContact CG1-CD2 3.74Å; V145-F147 HydrophobicContact CG1-CE2 3.34Å; V145-F147 HydrophobicContact CG1-CG 4.49Å; V145-F147 HydrophobicContact CG1-CZ 3.8Å; V145-F147 PolarHBondContact O-N 3.39Å; F147-K149 PolarHBondContact O-N 3.29Å
148R31.7Very low43.5Very low235 Ų23596.3 Ų96.389%0.88748%0.483SS*.  trans-7774.1171.5-152.8179.3-170170.93108.9F146F146-R148 VanDerWaalsContact C-N 3.28Å; F146-R148 PolarHBondContact O-N 3.08Å
149K37.8Very low45.7Very low133 Ų13397.2 Ų97.258%0.57849%0.489SS*.SBendtrans-134.5101176.4-143.3175.6-174.9177.60109.4C55 F147C55-K149 PolarHBondContact SG-O 3.35Å; F147-K149 PolarHBondContact O-N 3.29Å
150R43Very low47.7Very low203 Ų20395.8 Ų95.877%0.76648%0.478SS*.SBendtrans63.377.8-173.1-60.5-179.5176.9159-1.9113.4C152R150-C152 PolarHBondContact O-N 3.33Å; R150-C152 PolarHBondContact O-SG 3.49Å
151D48.3Very low50.1Low87 Ų8796.8 Ų96.847%0.46547%0.467SS..SBendtrans48.28.2163.1-49.6-22.2000118.8F73 L153F73-D151 HydrophobicContact CD2-CB 4.44Å; F73-D151 HydrophobicContact CE2-CB 4.06Å; D151-L153 PolarHBondContact O-N 3.38Å
152C50.2Low52.7Low24 Ų2495.4 Ų95.416%0.16244%0.443CS..EExtended strand (participates in β ladder)trans-84.7105.8175.9-64.60000108.3C71 R150C71-C152 WeakPolarHBondContact SG-CB 3.29Å; C71-C152 PolarHBondContact SG-SG 3.46Å; R150-C152 PolarHBondContact O-N 3.33Å; R150-C152 PolarHBondContact O-SG 3.49Å
153L54.8Low55.2Low55 Ų5593.6 Ų93.629%0.28843%0.427SS..EExtended strand (participates in β ladder)trans-96.4117.2167.1-70.1166.8000108.1I72 Q74 D151 E155I72-L153 PolarHBondContact N-O 3.16Å; I72-L153 PolarHBondContact O-N 3.35Å; Q74-L153 HydrophobicContact CB-CD1 3.87Å; Q74-L153 HydrophobicContact CG-CD1 4.5Å; D151-L153 PolarHBondContact O-N 3.38Å; L153-E155 PolarHBondContact O-N 3.35Å
154W57.2Low57.8Low67 Ų6795.1 Ų95.125%0.25443%0.428SS..EExtended strand (participates in β ladder)trans-82.2115.3172.9-70.397.3000108.9C55 A69 I70 C71C55-W154 PolarHBondContact O-NE1 3.29Å; A69-W154 HydrophobicContact CB-CB 4.11Å; A69-W154 HydrophobicContact CB-CD2 4.26Å; A69-W154 HydrophobicContact CB-CE3 3.51Å; A69-W154 HydrophobicContact CB-CZ3 4.29Å; A69-W154 WeakPolarHBondContact O-CZ3 3.31Å; I70-W154 WeakPolarHBondContact O-CA 3.43Å; C71-W154 HydrophobicContact CB-CD2 4.4Å; C71-W154 HydrophobicContact CB-CE3 4.24Å; C71-W154 HydrophobicContact CB-CH2 4.25Å; C71-W154 HydrophobicContact CB-CZ2 4.36Å; C71-W154 HydrophobicContact CB-CZ3 4.18Å
155E61.7Low60.7Low72 Ų7287.1 Ų87.134%0.33641%0.406SS..EExtended strand (participates in β ladder)trans-112.4143.9179.3-76.5-74.9157.800109.3A69 I70 I72 F99 R103 L153A69-E155 WeakPolarHBondContact CA-O 3.26Å; I70-E155 PolarHBondContact N-O 3.35Å; I70-E155 PolarHBondContact O-N 3.27Å; I72-E155 HydrophobicContact CD1-CB 3.71Å; I72-E155 HydrophobicContact CD1-CG 3.72Å; I72-E155 HydrophobicContact CG1-CB 4.11Å; I72-E155 HydrophobicContact CG1-CG 4.21Å; F99-E155 HydrophobicContact CE1-CB 4.13Å; R103-E155 IonicContact CZ-OE2 2.88Å; R103-E155 IonicContact NH1-OE2 2.71Å; R103-E155 PolarHBondContact NH1-OE2 3.3Å; L153-E155 PolarHBondContact O-N 3.35Å
156D65.8Low63.5Low111 Ų11182.8 Ų82.859%0.59438%0.38SS*.EExtended strand (participates in β ladder)trans-62.2146.2169-72.5-33.1000109F99 R103F99-D156 WeakPolarHBondContact CE1-O 3.42Å; R103-D156 PolarHBondContact NH1-O 3.18Å; R103-D156 PolarHBondContact NH2-O 3.18Å
157F71.1Confident66.2Low28 Ų2875 Ų7512%0.12335%0.346CS..PPolyproline II helixtrans-53.8146.3172-91.8-92.2000110.9L27 N30 F68 I70 R103 N129L27-F157 HydrophobicContact CD2-CZ 4.38Å; N30-F157 VanDerWaalsContact ND2-CZ 3.3Å; N30-F157 WeakPolarHBondContact ND2-CZ 3.43Å; F68-F157 HydrophobicContact CB-CD2 4.02Å; F68-F157 HydrophobicContact CB-CE2 3.84Å; F68-F157 WeakPolarHBondContact O-CD2 3.25Å; I70-F157 HydrophobicContact CD1-CD1 3.47Å; I70-F157 VanDerWaalsContact CD1-CD1 3.47Å; I70-F157 HydrophobicContact CD1-CD2 3.94Å; I70-F157 HydrophobicContact CD1-CE1 3.1Å; I70-F157 HydrophobicContact CD1-CE2 3.62Å; I70-F157 HydrophobicContact CD1-CG 3.86Å; I70-F157 HydrophobicContact CD1-CZ 3.18Å; I70-F157 HydrophobicContact CG1-CD1 4.2Å; I70-F157 HydrophobicContact CG1-CD2 3.74Å; I70-F157 HydrophobicContact CG1-CE1 3.73Å; I70-F157 HydrophobicContact CG1-CE2 3.21Å; I70-F157 HydrophobicContact CG1-CG 4.19Å; I70-F157 HydrophobicContact CG1-CZ 3.19Å; R103-F157 PolarHBondContact NH2-O 2.65Å; N129-F157 HydrophobicContact CB-CD1 3.68Å; N129-F157 HydrophobicContact CB-CE1 3.9Å; N129-F157 HydrophobicContact CB-CG 4.16Å; N129-F157 WeakPolarHBondContact ND2-CE1 3.34Å
158Y73.7Confident69.2Low3 Ų375.6 Ų75.61%0.01236%0.361CS..PPolyproline II helixtrans-66151.4172.848.2-112000111.4L95 P98 F99 F126 D162 V163L95-Y158 VanDerWaalsContact O-CE1 3.31Å; L95-Y158 WeakPolarHBondContact O-CE1 3.38Å; P98-Y158 HydrophobicContact CB-CD1 3.64Å; P98-Y158 HydrophobicContact CB-CD2 4.49Å; P98-Y158 HydrophobicContact CB-CE1 4.26Å; P98-Y158 HydrophobicContact CB-CG 3.76Å; P98-Y158 HydrophobicContact CG-CD1 3.74Å; P98-Y158 HydrophobicContact CG-CD2 4.35Å; P98-Y158 HydrophobicContact CG-CE1 3.86Å; P98-Y158 HydrophobicContact CG-CG 3.99Å; F99-Y158 AromaticContact CD2-CD1 3.82Å; F99-Y158 HydrophobicContact CD2-CD1 3.82Å; F99-Y158 HydrophobicContact CD2-CE1 4.07Å; F99-Y158 HydrophobicContact CE1-CD1 4.18Å; F99-Y158 AromaticContact CE2-CD1 3.36Å; F99-Y158 HydrophobicContact CE2-CD1 3.36Å; F99-Y158 AromaticContact CE2-CE1 3.5Å; F99-Y158 HydrophobicContact CE2-CE1 3.5Å; F99-Y158 HydrophobicContact CG-CD1 4.41Å; F99-Y158 AromaticContact CZ-CD1 3.57Å; F99-Y158 HydrophobicContact CZ-CD1 3.57Å; F99-Y158 HydrophobicContact CZ-CE1 4.06Å; F99-Y158 HydrophobicContact CZ-CG 4.49Å; F126-Y158 HydrophobicContact CD1-CD2 4.3Å; F126-Y158 AromaticContact CD1-CE2 3.33Å; F126-Y158 HydrophobicContact CD1-CE2 3.33Å; F126-Y158 AromaticContact CD1-CZ 3.55Å; F126-Y158 VanDerWaalsContact CD1-OH 3.29Å; F126-Y158 WeakPolarHBondContact CD1-OH 3.26Å; F126-Y158 HydrophobicContact CE1-CE1 4.34Å; F126-Y158 AromaticContact CE1-CE2 3.72Å; F126-Y158 HydrophobicContact CE1-CE2 3.72Å; F126-Y158 AromaticContact CE1-CZ 3.51Å; F126-Y158 VanDerWaalsContact CE1-OH 3.23Å; F126-Y158 WeakPolarHBondContact CE1-OH 3.34Å; F126-Y158 HydrophobicContact CG-CE2 4.45Å; Y158-D162 WeakPolarHBondContact CA-OD2 3.46Å; Y158-D162 WeakPolarHBondContact CB-OD2 3.3Å; Y158-V163 HydrophobicContact CD2-CG2 3.36Å; Y158-V163 HydrophobicContact CE2-CG2 3.61Å; Y158-V163 HydrophobicContact CG-CG2 4.25Å
159T79.3Confident72.2Confident56 Ų5668.6 Ų68.634%0.34434%0.337SS..PPolyproline II helixtrans-80.3173.4178.363.50000111.8E161 D162 V163T159-E161 PolarHBondContact O-N 3.1Å; T159-E161 PolarHBondContact OG1-N 3.28Å; T159-D162 PolarHBondContact N-OD2 3.45Å; T159-D162 PolarHBondContact O-N 3.4Å; T159-D162 PolarHBondContact OG1-N 3.4Å; T159-D162 PolarHBondContact OG1-OD1 3.12Å; T159-D162 PolarHBondContact OG1-OD2 3.42Å; T159-V163 WeakPolarHBondContact O-CG2 3.24Å; T159-V163 PolarHBondContact O-N 3.27Å
160Q78.1Confident74.8Confident95 Ų9563 Ų6344%0.44431%0.314SS..Hα-helixtrans-64-39.9172-158.5177.8-9.300110.1L130 V163 K164L130-Q160 HydrophobicContact CD1-CB 3.72Å; L130-Q160 HydrophobicContact CD1-CG 4.17Å; Q160-V163 WeakPolarHBondContact O-CB 3.45Å; Q160-V163 PolarHBondContact O-N 2.73Å; Q160-K164 VanDerWaalsContact O-CG 3.23Å; Q160-K164 WeakPolarHBondContact O-CG 3Å; Q160-K164 PolarHBondContact O-N 2.93Å
161E83.8Confident77.2Confident112 Ų11258.1 Ų58.152%0.52330%0.3SS..Hα-helixtrans-59.8-46.2178.8-68.963.6-139.500111.1T159 V163 K164 C165T159-E161 PolarHBondContact O-N 3.1Å; T159-E161 PolarHBondContact OG1-N 3.28Å; E161-V163 PolarHBondContact O-N 2.99Å; E161-K164 PolarHBondContact O-N 3.3Å; E161-K164 VanDerWaalsContact O-N 3.1Å; E161-C165 WeakPolarHBondContact O-CB 3.4Å; E161-C165 PolarHBondContact O-N 3.04Å; E161-C165 PolarHBondContact O-SG 3.36Å
162D85.3Confident79.2Confident39 Ų3957.4 Ų57.421%0.20930%0.298CS..Hα-helixtrans-55.7-41.8175.1-65.4-20.4000111.2P98 E102 R103 Y158 T159 C166P98-D162 HydrophobicContact CB-CB 4.47Å; E102-D162 HydrophobicContact CG-CB 4.18Å; R103-D162 IonicContact NH2-OD2 3.87Å; Y158-D162 WeakPolarHBondContact CA-OD2 3.46Å; Y158-D162 WeakPolarHBondContact CB-OD2 3.3Å; T159-D162 PolarHBondContact N-OD2 3.45Å; T159-D162 PolarHBondContact O-N 3.4Å; T159-D162 PolarHBondContact OG1-N 3.4Å; T159-D162 PolarHBondContact OG1-OD1 3.12Å; T159-D162 PolarHBondContact OG1-OD2 3.42Å; D162-C166 WeakPolarHBondContact O-CB 3.16Å; D162-C166 PolarHBondContact O-N 3Å
163V83.6Confident80.9Confident9 Ų957 Ų576%0.05530%0.295CS..Hα-helixtrans-68-42.5178.3178.80000111P98 F126 Y158 T159 Q160 E161 C166 L167P98-V163 HydrophobicContact CG-CG2 4.2Å; F126-V163 HydrophobicContact CD1-CB 4.16Å; F126-V163 HydrophobicContact CD1-CG1 3.62Å; F126-V163 HydrophobicContact CD1-CG2 3.35Å; F126-V163 HydrophobicContact CE1-CG1 3.93Å; F126-V163 HydrophobicContact CE1-CG2 3.8Å; F126-V163 HydrophobicContact CG-CG1 4.03Å; F126-V163 HydrophobicContact CG-CG2 4.31Å; Y158-V163 HydrophobicContact CD2-CG2 3.36Å; Y158-V163 HydrophobicContact CE2-CG2 3.61Å; Y158-V163 HydrophobicContact CG-CG2 4.25Å; T159-V163 WeakPolarHBondContact O-CG2 3.24Å; T159-V163 PolarHBondContact O-N 3.27Å; Q160-V163 WeakPolarHBondContact O-CB 3.45Å; Q160-V163 PolarHBondContact O-N 2.73Å; E161-V163 PolarHBondContact O-N 2.99Å; V163-C166 PolarHBondContact O-N 3.48Å; V163-L167 HydrophobicContact CG1-CD1 3.8Å; V163-L167 HydrophobicContact CG1-CG 4.38Å; V163-L167 WeakPolarHBondContact O-CB 3.36Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.02Å
164K87.1Confident82.1Confident88 Ų8855.8 Ų55.838%0.38330%0.295SS..Hα-helixtrans-62.4-47.5177-53.1-160.4179.1142.20110.9W121 Q160 E161 L167 S168W121-K164 HydrophobicContact CH2-CB 3.85Å; W121-K164 HydrophobicContact CH2-CD 3.7Å; W121-K164 HydrophobicContact CH2-CG 3.36Å; W121-K164 HydrophobicContact CZ2-CD 4.21Å; W121-K164 HydrophobicContact CZ2-CG 4.09Å; W121-K164 HydrophobicContact CZ3-CB 4.15Å; W121-K164 HydrophobicContact CZ3-CG 4.07Å; Q160-K164 VanDerWaalsContact O-CG 3.23Å; Q160-K164 WeakPolarHBondContact O-CG 3Å; Q160-K164 PolarHBondContact O-N 2.93Å; E161-K164 PolarHBondContact O-N 3.3Å; E161-K164 VanDerWaalsContact O-N 3.1Å; K164-L167 PolarHBondContact O-N 3.03Å; K164-S168 WeakPolarHBondContact O-CB 3.19Å; K164-S168 PolarHBondContact O-N 2.97Å
165C90.2Very high82.6Confident59 Ų5957.1 Ų57.140%0.39931%0.306SS..Hα-helixtrans-61.1-46.8177.6-74.10000111.1E161 L167 S168 K169E161-C165 WeakPolarHBondContact O-CB 3.4Å; E161-C165 PolarHBondContact O-N 3.04Å; E161-C165 PolarHBondContact O-SG 3.36Å; C165-L167 PolarHBondContact O-N 3.19Å; C165-S168 PolarHBondContact O-N 2.58Å; C165-S168 PolarHBondContact O-OG 2.74Å; C165-K169 WeakPolarHBondContact O-CG 3.39Å; C165-K169 PolarHBondContact O-N 3.31Å
166C90Very high82.8Confident2 Ų259.5 Ų59.51%0.01432%0.322CS..Hα-helixtrans-57.6-50.8176.6169.90000112.2L97 P98 T101 E102 D162 V163 S168 K169L97-C166 WeakPolarHBondContact CD2-SG 3.07Å; L97-C166 WeakPolarHBondContact CG-SG 3.31Å; P98-C166 HydrophobicContact CB-CB 4.14Å; P98-C166 HydrophobicContact CG-CB 4.18Å; T101-C166 WeakPolarHBondContact OG1-CB 3.47Å; E102-C166 WeakPolarHBondContact OE1-CA 3.35Å; E102-C166 PolarHBondContact OE1-N 3.38Å; D162-C166 WeakPolarHBondContact O-CB 3.16Å; D162-C166 PolarHBondContact O-N 3Å; V163-C166 PolarHBondContact O-N 3.48Å; C166-S168 VanDerWaalsContact C-N 3.29Å; C166-S168 PolarHBondContact O-N 3.25Å; C166-K169 WeakPolarHBondContact O-CB 3.27Å; C166-K169 PolarHBondContact O-N 3.29Å; C166-K169 VanDerWaalsContact O-N 3.13Å
167L89.1Confident82.9Confident11 Ų1158.8 Ų58.86%0.05832%0.318CS..Hα-helixtrans-68.4-29.4-178.6-69.4173.6000112.3F94 W121 V163 K164 C165 K169 V170F94-L167 HydrophobicContact CD1-CD2 3.59Å; F94-L167 HydrophobicContact CE1-CD2 3.69Å; W121-L167 HydrophobicContact CB-CD1 4.12Å; W121-L167 HydrophobicContact CD2-CD1 4.14Å; W121-L167 HydrophobicContact CE3-CB 4.26Å; W121-L167 HydrophobicContact CE3-CD1 3.35Å; W121-L167 HydrophobicContact CE3-CG 4.42Å; W121-L167 HydrophobicContact CZ3-CB 4.38Å; W121-L167 HydrophobicContact CZ3-CD1 4.09Å; V163-L167 HydrophobicContact CG1-CD1 3.8Å; V163-L167 HydrophobicContact CG1-CG 4.38Å; V163-L167 WeakPolarHBondContact O-CB 3.36Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.02Å; K164-L167 PolarHBondContact O-N 3.03Å; C165-L167 PolarHBondContact O-N 3.19Å; L167-K169 PolarHBondContact O-N 3.3Å; L167-V170 HydrophobicContact CD2-CG2 4.41Å; L167-V170 WeakPolarHBondContact O-CB 3.44Å; L167-V170 PolarHBondContact O-N 3.39Å; L167-V170 VanDerWaalsContact O-N 3.12Å
168S91.5Very high82.6Confident98 Ų9860 Ų6069%0.68534%0.339SS*.Hα-helixtrans-65.1-19.6173.277.20000114K164 C165 C166K164-S168 WeakPolarHBondContact O-CB 3.19Å; K164-S168 PolarHBondContact O-N 2.97Å; C165-S168 PolarHBondContact O-N 2.58Å; C165-S168 PolarHBondContact O-OG 2.74Å; C166-S168 VanDerWaalsContact C-N 3.29Å; C166-S168 PolarHBondContact O-N 3.25Å
169K93.8Very high82.2Confident89 Ų8965.1 Ų65.139%0.38736%0.361SS..THydrogen-bonded Turntrans-85.7-9.8175.9-63.8167.6179.3169.40112.8T101 E102 I110 C165 C166 L167T101-K169 HydrophobicContact CG2-CD 4.4Å; T101-K169 PolarHBondContact O-NZ 3.45Å; E102-K169 IonicContact OE1-NZ 3.86Å; E102-K169 PolarHBondContact OE1-NZ 3.47Å; E102-K169 IonicContact OE2-NZ 2.65Å; E102-K169 PolarHBondContact OE2-NZ 2.87Å; I110-K169 HydrophobicContact CD1-CB 4.14Å; C165-K169 WeakPolarHBondContact O-CG 3.39Å; C165-K169 PolarHBondContact O-N 3.31Å; C166-K169 WeakPolarHBondContact O-CB 3.27Å; C166-K169 PolarHBondContact O-N 3.29Å; C166-K169 VanDerWaalsContact O-N 3.13Å; L167-K169 PolarHBondContact O-N 3.3Å
170V92.9Very high81.8Confident15 Ų1566.2 Ų66.29%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-83122.4-177.6-1750000109.9F94 L97 I110 A112 V117 L167F94-V170 HydrophobicContact CE1-CG2 4.28Å; L97-V170 HydrophobicContact CD2-CG2 4.08Å; I110-V170 HydrophobicContact CB-CG2 4.39Å; I110-V170 HydrophobicContact CG2-CB 4.45Å; I110-V170 HydrophobicContact CG2-CG1 4.19Å; I110-V170 HydrophobicContact CG2-CG2 3.93Å; A112-V170 HydrophobicContact CB-CG1 3.72Å; V117-V170 HydrophobicContact CG2-CB 4.3Å; V117-V170 HydrophobicContact CG2-CG1 3.62Å; L167-V170 HydrophobicContact CD2-CG2 4.41Å; L167-V170 WeakPolarHBondContact O-CB 3.44Å; L167-V170 PolarHBondContact O-N 3.39Å; L167-V170 VanDerWaalsContact O-N 3.12Å
171Q92.8Very high81.1Confident100 Ų10064.8 Ų64.847%0.46737%0.374SS..EExtended strand (participates in β ladder)trans-88.1133.1174.7-61.7-179.823.700109.5I110 F111 A112I110-Q171 WeakPolarHBondContact O-CB 3.36Å; I110-Q171 PolarHBondContact O-N 3.43Å; F111-Q171 WeakPolarHBondContact CA-O 3.25Å; F111-Q171 HydrophobicContact CD1-CB 3.81Å; F111-Q171 HydrophobicContact CE1-CB 3.82Å; F111-Q171 VanDerWaalsContact CE1-OE1 3.27Å; A112-Q171 PolarHBondContact N-O 2.71Å; A112-Q171 VanDerWaalsContact N-O 3.17Å
172T92.2Very high80.5Confident72 Ų7259.6 Ų59.644%0.44235%0.35SS..EExtended strand (participates in β ladder)trans-88.2134.2-178.854.70000110.4A112 E114 V117A112-T172 CarbonylContact O-C 3.53Å; A112-T172 VanDerWaalsContact O-CA 3.24Å; A112-T172 WeakPolarHBondContact O-CA 3.49Å; E114-T172 HydrophobicContact CB-CG2 4.31Å; E114-T172 VanDerWaalsContact OE2-CG2 3.26Å; E114-T172 WeakPolarHBondContact OE2-CG2 3.39Å; E114-T172 PolarHBondContact OE2-OG1 3.38Å; V117-T172 HydrophobicContact CB-CG2 4.34Å; V117-T172 HydrophobicContact CG2-CG2 3.76Å
173I84.2Confident79.6Confident17 Ų1759.3 Ų59.39%0.08735%0.35CS..EExtended strand (participates in β ladder)trans-117.9137.9179-162.7166.9000110.2A112 S113 D177 F179 A184 W196A112-I173 PolarHBondContact O-N 3.22Å; S113-I173 WeakPolarHBondContact CA-O 3.32Å; I173-D177 WeakPolarHBondContact CD1-O 3.25Å; I173-D177 HydrophobicContact CG1-CB 3.92Å; I173-F179 HydrophobicContact CD1-CB 4.27Å; I173-A184 HydrophobicContact CG2-CB 3.76Å; I173-W196 HydrophobicContact CD1-CZ3 4.42Å; I173-W196 HydrophobicContact CG2-CH2 3.72Å; I173-W196 HydrophobicContact CG2-CZ3 3.97Å
174G79.7Confident78.9Confident28 Ų2858.9 Ų58.929%0.28935%0.348SS..  trans-74.6161.5173.600000112.2D177G174-D177 VanDerWaalsContact CA-OD2 3.27Å; G174-D177 WeakPolarHBondContact CA-OD2 3.44Å; G174-D177 PolarHBondContact N-OD2 2.89Å; G174-D177 PolarHBondContact O-N 3.28Å
175L69.4Low77.8Confident95 Ų9556.3 Ų56.350%0.49734%0.339SS..THydrogen-bonded Turntrans-68.9133.7170.8-69.3174.6000109.4D177 C186L175-D177 PolarHBondContact O-N 3.45Å; L175-C186 HydrophobicContact CD1-CB 4.39Å; L175-C186 HydrophobicContact CD2-CB 4.32Å
176N64.9Low76.7Confident122 Ų12257.6 Ų57.665%0.65235%0.348SS*.THydrogen-bonded Turntrans63.58.5-173.3-49.6-43.7000114.6A184N176-A184 WeakPolarHBondContact CA-O 3.23Å; N176-A184 PolarHBondContact N-O 3.31Å
177D68.5Low75.3Confident96 Ų9658.7 Ų58.751%0.51336%0.356SS..  trans-79.5128.5166.6-74.1-26.5000109.1I173 G174 L175 A184I173-D177 WeakPolarHBondContact CD1-O 3.25Å; I173-D177 HydrophobicContact CG1-CB 3.92Å; G174-D177 VanDerWaalsContact CA-OD2 3.27Å; G174-D177 WeakPolarHBondContact CA-OD2 3.44Å; G174-D177 PolarHBondContact N-OD2 2.89Å; G174-D177 PolarHBondContact O-N 3.28Å; L175-D177 PolarHBondContact O-N 3.45Å; D177-A184 PolarHBondContact O-N 3.27Å
178G64.7Low73.8Confident55 Ų5561.4 Ų61.457%0.56739%0.386SS*.EExtended strand (participates in β ladder)trans-98.2135.8176.600000111.4V182G178-V182 CarbonylContact C-O 3.56Å; G178-V182 VanDerWaalsContact CA-O 3.3Å; G178-V182 WeakPolarHBondContact CA-O 3.26Å
179F66.2Low72.1Confident110 Ų11061.7 Ų61.748%0.48237%0.373SS..EExtended strand (participates in β ladder)trans-120.3109.5165.6-176-93.3000109.8F111 I173 Y181 V182F111-F179 HydrophobicContact CE1-CB 4.49Å; F111-F179 HydrophobicContact CE1-CD1 4.31Å; F111-F179 HydrophobicContact CE1-CD2 4.37Å; F111-F179 HydrophobicContact CE1-CG 4.13Å; F111-F179 AromaticContact CE2-CD1 3.53Å; F111-F179 HydrophobicContact CE2-CD1 3.53Å; F111-F179 AromaticContact CE2-CE1 3.81Å; F111-F179 HydrophobicContact CE2-CE1 3.81Å; F111-F179 HydrophobicContact CE2-CG 4.13Å; F111-F179 HydrophobicContact CZ-CB 4.28Å; F111-F179 AromaticContact CZ-CD1 3.36Å; F111-F179 HydrophobicContact CZ-CD1 3.36Å; F111-F179 HydrophobicContact CZ-CD2 4Å; F111-F179 AromaticContact CZ-CE1 3.56Å; F111-F179 HydrophobicContact CZ-CE1 3.56Å; F111-F179 HydrophobicContact CZ-CE2 4.17Å; F111-F179 AromaticContact CZ-CG 3.6Å; F111-F179 HydrophobicContact CZ-CG 3.6Å; F111-F179 AromaticContact CZ-CZ 3.96Å; F111-F179 HydrophobicContact CZ-CZ 3.96Å; I173-F179 HydrophobicContact CD1-CB 4.27Å; F179-Y181 PolarHBondContact O-N 3.16Å; F179-Y181 VanDerWaalsContact O-N 3.14Å; F179-V182 PolarHBondContact N-O 2.97Å; F179-V182 PolarHBondContact O-N 3.12Å
180G69.2Low70.9Confident78 Ų7859.7 Ų59.780%0.80437%0.37SS*.THydrogen-bonded Turntrans61.4-114.9-175.400000111.3
181Y65.1Low69.8Low65 Ų6564.7 Ų64.726%0.25540%0.395SS..THydrogen-bonded Turntrans-97.78.8179.451.3-97.5000113W14 V19 F179 I198 E199W14-Y181 HydrophobicContact CH2-CD2 4.13Å; W14-Y181 HydrophobicContact CH2-CE1 4.27Å; W14-Y181 AromaticContact CH2-CE2 3.32Å; W14-Y181 HydrophobicContact CH2-CE2 3.32Å; W14-Y181 AromaticContact CH2-CZ 3.42Å; W14-Y181 VanDerWaalsContact CH2-CZ 3.42Å; W14-Y181 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y181 HydrophobicContact CZ2-CD1 4.32Å; W14-Y181 HydrophobicContact CZ2-CD2 4.24Å; W14-Y181 AromaticContact CZ2-CE1 3.62Å; W14-Y181 HydrophobicContact CZ2-CE1 3.62Å; W14-Y181 AromaticContact CZ2-CE2 3.54Å; W14-Y181 HydrophobicContact CZ2-CE2 3.54Å; W14-Y181 AromaticContact CZ2-CZ 3.19Å; W14-Y181 VanDerWaalsContact CZ2-OH 3.25Å; W14-Y181 WeakPolarHBondContact CZ2-OH 3.23Å; W14-Y181 HydrophobicContact CZ3-CE2 4.44Å; V19-Y181 HydrophobicContact CG2-CE2 3.75Å; V19-Y181 WeakPolarHBondContact CG2-OH 3.31Å; F179-Y181 PolarHBondContact O-N 3.16Å; F179-Y181 VanDerWaalsContact O-N 3.14Å; Y181-I198 HydrophobicContact CD2-CG2 3.93Å; Y181-I198 HydrophobicContact CE2-CG2 4.44Å; Y181-I198 CarbonylContact O-C 3.43Å; Y181-I198 WeakPolarHBondContact O-CA 3.48Å; Y181-E199 WeakPolarHBondContact CB-O 3.4Å; Y181-E199 PolarHBondContact O-N 3.15Å
182V69.5Low68.8Low4 Ų460.9 Ų60.92%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-119.4130.6-175.3-175.80000110.8L87 G178 F179 W196 V197 I198L87-V182 HydrophobicContact CD1-CB 4.45Å; L87-V182 HydrophobicContact CD1-CG1 3.53Å; L87-V182 HydrophobicContact CD1-CG2 4.04Å; L87-V182 HydrophobicContact CD2-CG1 3.9Å; L87-V182 HydrophobicContact CG-CG1 4.38Å; G178-V182 CarbonylContact C-O 3.56Å; G178-V182 VanDerWaalsContact CA-O 3.3Å; G178-V182 WeakPolarHBondContact CA-O 3.26Å; F179-V182 PolarHBondContact N-O 2.97Å; F179-V182 PolarHBondContact O-N 3.12Å; V182-W196 HydrophobicContact CG1-CD2 4.29Å; V182-W196 HydrophobicContact CG1-CE3 3.38Å; V182-W196 HydrophobicContact CG1-CZ3 3.89Å; V182-V197 CarbonylContact C-O 3.52Å; V182-V197 WeakPolarHBondContact CA-O 3.39Å; V182-I198 HydrophobicContact CG2-CG1 4.42Å
183T67.6Low67.8Low33 Ų3357.6 Ų57.620%0.20236%0.362CS..EExtended strand (participates in β ladder)trans-126.4132.8172.8-56.70000110.3V197T183-V197 PolarHBondContact N-O 3.49Å; T183-V197 PolarHBondContact O-N 3.48Å
184A67.5Low66.9Low0 Ų056.9 Ų56.90%036%0.359CS..EExtended strand (participates in β ladder)trans-85.9129.517500000110.6I173 N176 D177 C194 W196I173-A184 HydrophobicContact CG2-CB 3.76Å; N176-A184 WeakPolarHBondContact CA-O 3.23Å; N176-A184 PolarHBondContact N-O 3.31Å; D177-A184 PolarHBondContact O-N 3.27Å; A184-C194 HydrophobicContact CB-CB 4.13Å; A184-W196 HydrophobicContact CB-CE3 4.04Å; A184-W196 HydrophobicContact CB-CH2 4.27Å; A184-W196 HydrophobicContact CB-CZ3 3.71Å
185T64.3Low66.2Low34 Ų3456.8 Ų56.821%0.20935%0.352CS..EExtended strand (participates in β ladder)trans-125.1158.8176.257.90000110.2S187 C194 N195 V197T185-S187 PolarHBondContact O-N 2.79Å; T185-C194 CarbonylContact O-C 3.14Å; T185-C194 WeakPolarHBondContact O-CA 2.98Å; T185-C194 WeakPolarHBondContact O-CB 3.46Å; T185-N195 PolarHBondContact N-O 2.86Å; T185-N195 PolarHBondContact O-N 3.48Å; T185-N195 WeakPolarHBondContact OG1-CB 3.5Å; T185-N195 PolarHBondContact OG1-O 3.18Å; T185-N195 VanDerWaalsContact OG1-O 3.04Å; T185-V197 HydrophobicContact CG2-CG2 3.82Å
186C67.3Low66Low86 Ų8652.9 Ų52.958%0.58133%0.33SS*.EExtended strand (participates in β ladder)trans-69.9129.9-177.4-173.70000111L175L175-C186 HydrophobicContact CD1-CB 4.39Å; L175-C186 HydrophobicContact CD2-CB 4.32Å
187S61.5Low66Low25 Ų2550.2 Ų50.218%0.17532%0.318CS..  trans-90.7-22.5178.663.80000114.5T185 Y189 S193 N195T185-S187 PolarHBondContact O-N 2.79Å; S187-Y189 PolarHBondContact O-N 3.14Å; S187-Y189 PolarHBondContact OG-N 3.22Å; S187-S193 PolarHBondContact N-O 2.9Å; S187-S193 VanDerWaalsContact N-O 3.14Å; S187-S193 WeakPolarHBondContact OG-CB 3.1Å; S187-S193 PolarHBondContact OG-O 3.45Å; S187-S193 PolarHBondContact OG-OG 3.43Å; S187-N195 WeakPolarHBondContact CB-OD1 3.29Å
188G57.5Low65.8Low67 Ų6747.2 Ų47.269%0.69130%0.302SS*.SBendtrans69.63.1-173.400000115.8
189Y56.3Low65.6Low105 Ų10549.8 Ų49.841%0.41230%0.299SS..SBendtrans-77.8-44.6-177174-103.8000113.6S187S187-Y189 PolarHBondContact O-N 3.14Å; S187-Y189 PolarHBondContact OG-N 3.22Å
190S66.8Low65.1Low46 Ų4646.5 Ų46.532%0.32229%0.288SS..SBendtrans-154.5170.2179.365.10000110.6G192 S193S190-G192 PolarHBondContact O-N 2.9Å; S190-S193 PolarHBondContact N-OG 3.34Å; S190-S193 PolarHBondContact O-N 3.28Å; S190-S193 VanDerWaalsContact O-N 3.1Å; S190-S193 PolarHBondContact O-OG 3.1Å; S190-S193 VanDerWaalsContact OG-CB 3.29Å; S190-S193 WeakPolarHBondContact OG-CB 3.31Å; S190-S193 PolarHBondContact OG-OG 3.14Å; S190-S193 VanDerWaalsContact OG-OG 3.12Å
191I71Confident64.2Low120 Ų12045.7 Ų45.762%0.61528%0.28SS*.THydrogen-bonded Turntrans-62.4123.1176.4-57.7174000109.5P115 F119 S193P115-I191 HydrophobicContact CB-CG2 4.16Å; F119-I191 HydrophobicContact CD2-CB 4.41Å; F119-I191 HydrophobicContact CD2-CG2 4.33Å; F119-I191 HydrophobicContact CE2-CB 3.79Å; F119-I191 HydrophobicContact CE2-CD1 4.46Å; F119-I191 HydrophobicContact CE2-CG2 3.56Å; F119-I191 HydrophobicContact CZ-CB 4.42Å; F119-I191 HydrophobicContact CZ-CD1 4.29Å; F119-I191 HydrophobicContact CZ-CG2 4.37Å; I191-S193 VanDerWaalsContact C-N 3.32Å
192G71.4Confident63.5Low20 Ų2043.7 Ų43.721%0.20628%0.276CS..THydrogen-bonded Turntrans87.6-15.3-178.400000114.9S113 T116 S190 C194S113-G192 WeakPolarHBondContact CB-O 3.23Å; S113-G192 PolarHBondContact OG-O 3.08Å; T116-G192 PolarHBondContact OG1-O 3.07Å; S190-G192 PolarHBondContact O-N 2.9Å; G192-C194 PolarHBondContact O-N 3.11Å
193S71.7Confident62.6Low4 Ų446.5 Ų46.53%0.02829%0.288CS..  trans-69.2136.9-172.756.60000112.4S89 S187 S190 I191S89-S193 CarbonylContact O-C 3.51Å; S89-S193 WeakPolarHBondContact O-CA 3.47Å; S89-S193 WeakPolarHBondContact O-CB 3.45Å; S187-S193 PolarHBondContact N-O 2.9Å; S187-S193 VanDerWaalsContact N-O 3.14Å; S187-S193 WeakPolarHBondContact OG-CB 3.1Å; S187-S193 PolarHBondContact OG-O 3.45Å; S187-S193 PolarHBondContact OG-OG 3.43Å; S190-S193 PolarHBondContact N-OG 3.34Å; S190-S193 PolarHBondContact O-N 3.28Å; S190-S193 VanDerWaalsContact O-N 3.1Å; S190-S193 PolarHBondContact O-OG 3.1Å; S190-S193 VanDerWaalsContact OG-CB 3.29Å; S190-S193 WeakPolarHBondContact OG-CB 3.31Å; S190-S193 PolarHBondContact OG-OG 3.14Å; S190-S193 VanDerWaalsContact OG-OG 3.12Å; I191-S193 VanDerWaalsContact C-N 3.32Å
194C64.2Low62Low1 Ų148 Ų481%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-119.9150.1-176.251.20000112.3S89 A184 T185 G192 W196S89-C194 PolarHBondContact O-N 3.13Å; A184-C194 HydrophobicContact CB-CB 4.13Å; T185-C194 CarbonylContact O-C 3.14Å; T185-C194 WeakPolarHBondContact O-CA 2.98Å; T185-C194 WeakPolarHBondContact O-CB 3.46Å; G192-C194 PolarHBondContact O-N 3.11Å; C194-W196 VanDerWaalsContact SG-CE2 3.57Å; C194-W196 WeakPolarHBondContact SG-CZ2 3.37Å
195N65.8Low61.6Low26 Ų2651.7 Ų51.714%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-95.4135.4162.5-69.4-15.6000108.2T185 S187 A362T185-N195 PolarHBondContact N-O 2.86Å; T185-N195 PolarHBondContact O-N 3.48Å; T185-N195 WeakPolarHBondContact OG1-CB 3.5Å; T185-N195 PolarHBondContact OG1-O 3.18Å; T185-N195 VanDerWaalsContact OG1-O 3.04Å; S187-N195 WeakPolarHBondContact CB-OD1 3.29Å; N195-A362 WeakPolarHBondContact ND2-CB 3.41Å; N195-A362 VanDerWaalsContact OD1-CA 3.29Å; N195-A362 WeakPolarHBondContact OD1-CA 3.43Å; N195-A362 WeakPolarHBondContact OD1-CB 3.3Å; N195-A362 PolarHBondContact OD1-N 3.39Å; N195-A362 VanDerWaalsContact OD1-N 3.15Å
196W65.3Low62.3Low14 Ų1450.2 Ų50.25%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-94.9114.6178.7-60.9103.8000109.8L21 L87 L88 S89 F111 I173 V182 A184 C194 I198 S361L21-W196 HydrophobicContact CD2-CB 4.12Å; L21-W196 HydrophobicContact CD2-CG 4.13Å; L87-W196 HydrophobicContact CB-CD2 3.88Å; L87-W196 HydrophobicContact CB-CG 4.08Å; L87-W196 HydrophobicContact CB-CZ2 4.02Å; L87-W196 HydrophobicContact CD1-CB 4.02Å; L87-W196 HydrophobicContact CD1-CD2 3.88Å; L87-W196 HydrophobicContact CD1-CE3 4.08Å; L87-W196 HydrophobicContact CD1-CG 3.87Å; L87-W196 HydrophobicContact CD2-CD2 4.24Å; L87-W196 HydrophobicContact CD2-CE3 4.02Å; L87-W196 HydrophobicContact CD2-CH2 4.03Å; L87-W196 HydrophobicContact CD2-CZ2 4.3Å; L87-W196 HydrophobicContact CD2-CZ3 3.89Å; L87-W196 HydrophobicContact CG-CD2 4.22Å; L87-W196 HydrophobicContact CG-CE3 4.43Å; L88-W196 WeakPolarHBondContact O-CZ2 3.2Å; S89-W196 PolarHBondContact OG-NE1 3.46Å; F111-W196 HydrophobicContact CB-CH2 3.78Å; F111-W196 HydrophobicContact CB-CZ3 4.34Å; I173-W196 HydrophobicContact CD1-CZ3 4.42Å; I173-W196 HydrophobicContact CG2-CH2 3.72Å; I173-W196 HydrophobicContact CG2-CZ3 3.97Å; V182-W196 HydrophobicContact CG1-CD2 4.29Å; V182-W196 HydrophobicContact CG1-CE3 3.38Å; V182-W196 HydrophobicContact CG1-CZ3 3.89Å; A184-W196 HydrophobicContact CB-CE3 4.04Å; A184-W196 HydrophobicContact CB-CH2 4.27Å; A184-W196 HydrophobicContact CB-CZ3 3.71Å; C194-W196 VanDerWaalsContact SG-CE2 3.57Å; C194-W196 WeakPolarHBondContact SG-CZ2 3.37Å; W196-I198 HydrophobicContact CB-CG1 4.41Å; W196-S361 PolarHBondContact N-OG 3.24Å
197V64.4Low62.9Low66 Ų6647 Ų4740%0.428%0.282SS..EExtended strand (participates in β ladder)trans-87.1113.1168.3-179.60000106.9V182 T183 T185V182-V197 CarbonylContact C-O 3.52Å; V182-V197 WeakPolarHBondContact CA-O 3.39Å; T183-V197 PolarHBondContact N-O 3.49Å; T183-V197 PolarHBondContact O-N 3.48Å; T185-V197 HydrophobicContact CG2-CG2 3.82Å
198I64.6Low63.6Low33 Ų3353.7 Ų53.717%0.16930%0.303CS..EExtended strand (participates in β ladder)trans-108.6104.4-179.9-58.3177.1000107.3L12 V19 L21 L87 Y181 V182 W196 T200L12-I198 HydrophobicContact CD1-CD1 3.59Å; V19-I198 HydrophobicContact CG1-CD1 4.21Å; L21-I198 HydrophobicContact CD2-CD1 4.26Å; L87-I198 HydrophobicContact CD1-CD1 4.13Å; L87-I198 HydrophobicContact CD1-CG1 4.44Å; Y181-I198 HydrophobicContact CD2-CG2 3.93Å; Y181-I198 HydrophobicContact CE2-CG2 4.44Å; Y181-I198 CarbonylContact O-C 3.43Å; Y181-I198 WeakPolarHBondContact O-CA 3.48Å; V182-I198 HydrophobicContact CG2-CG1 4.42Å; W196-I198 HydrophobicContact CB-CG1 4.41Å; I198-T200 HydrophobicContact CG2-CG2 4.24Å; I198-T200 PolarHBondContact O-N 2.98Å
199E60.7Low64.6Low108 Ų10853.6 Ų53.651%0.50529%0.293SS..  trans-7595.7177.2-67.3-165.1-179.400109.9Y181Y181-E199 WeakPolarHBondContact CB-O 3.4Å; Y181-E199 PolarHBondContact O-N 3.15Å
200T55.5Low66Low41 Ų4150.3 Ų50.325%0.25229%0.29SS..  trans-84.7130.7164.882.10000108.1I198 S202 E203I198-T200 HydrophobicContact CG2-CG2 4.24Å; I198-T200 PolarHBondContact O-N 2.98Å; T200-S202 PolarHBondContact O-N 3.26Å; T200-S202 PolarHBondContact OG1-OG 3.23Å; T200-E203 PolarHBondContact OG1-OE1 3.36Å
201G49.9Very low67.1Low61 Ų6148.1 Ų48.163%0.62928%0.275SS*.THydrogen-bonded Turntrans-63.49.6-179.800000115.3V205G201-V205 WeakPolarHBondContact O-CG2 3.45Å
202S49.9Very low68Low24 Ų2442.7 Ų42.717%0.16825%0.247CC..THydrogen-bonded Turntrans-99-26.9-162.374.80000115.6T200 K204 V205 T206 R356T200-S202 PolarHBondContact O-N 3.26Å; T200-S202 PolarHBondContact OG1-OG 3.23Å; S202-K204 VanDerWaalsContact C-N 3.29Å; S202-K204 PolarHBondContact O-N 3.36Å; S202-V205 WeakPolarHBondContact O-CB 3.46Å; S202-V205 PolarHBondContact O-N 2.98Å; S202-V205 VanDerWaalsContact O-N 3.13Å; S202-T206 PolarHBondContact O-N 3.14Å; S202-R356 VanDerWaalsContact CB-NH2 3.26Å; S202-R356 PolarHBondContact OG-NE 2.85Å; S202-R356 PolarHBondContact OG-NH1 2.92Å; S202-R356 VanDerWaalsContact OG-NH1 3.17Å; S202-R356 PolarHBondContact OG-NH2 3.17Å
203E50.9Low68.9Low63 Ų6342.4 Ų42.429%0.29424%0.242SC..Hα-helixtrans-64-41.7173.6-6390.8-143.100110.1T200 V205 T206T200-E203 PolarHBondContact OG1-OE1 3.36Å; E203-V205 PolarHBondContact O-N 3.24Å; E203-V205 VanDerWaalsContact O-N 3.11Å; E203-T206 PolarHBondContact O-N 3.39Å
204K54.8Low69.8Low64 Ų6442.2 Ų42.228%0.27824%0.24SC..Hα-helixtrans-53.4-32.5174.3-65.9175.1-175.9172.90111.8S202 R208 Y237S202-K204 VanDerWaalsContact C-N 3.29Å; S202-K204 PolarHBondContact O-N 3.36Å; K204-R208 VanDerWaalsContact O-CB 3.23Å; K204-R208 WeakPolarHBondContact O-CB 3.16Å; K204-R208 WeakPolarHBondContact O-CD 3.34Å; K204-R208 WeakPolarHBondContact O-CG 3.48Å; K204-R208 PolarHBondContact O-N 2.97Å; K204-Y237 HydrophobicContact CD-CD1 4.32Å; K204-Y237 HydrophobicContact CD-CE1 4.12Å; K204-Y237 WeakPolarHBondContact CE-OH 2.88Å; K204-Y237 VanDerWaalsContact NZ-CZ 3.35Å; K204-Y237 PolarHBondContact NZ-OH 3.4Å
205V59.5Low71.1Confident78 Ų7842.9 Ų42.947%0.47324%0.244SC..Hα-helixtrans-73.7-33.4-179.9179.40000111.8G201 S202 E203 S209G201-V205 WeakPolarHBondContact O-CG2 3.45Å; S202-V205 WeakPolarHBondContact O-CB 3.46Å; S202-V205 PolarHBondContact O-N 2.98Å; S202-V205 VanDerWaalsContact O-N 3.13Å; E203-V205 PolarHBondContact O-N 3.24Å; E203-V205 VanDerWaalsContact O-N 3.11Å; V205-S209 WeakPolarHBondContact O-CB 3.27Å; V205-S209 PolarHBondContact O-N 3.36Å; V205-S209 PolarHBondContact O-OG 3.08Å
206T78.4Confident72.2Confident2 Ų241.8 Ų41.81%0.01224%0.238CC..Hα-helixtrans-64.1-58.7-176.6-57.60000111S202 E203 R208 S209 G210 G211 V213 A329 T331S202-T206 PolarHBondContact O-N 3.14Å; E203-T206 PolarHBondContact O-N 3.39Å; T206-R208 PolarHBondContact O-N 3.28Å; T206-S209 PolarHBondContact O-N 3.31Å; T206-S209 PolarHBondContact O-OG 3.32Å; T206-G210 PolarHBondContact O-N 2.97Å; T206-G211 PolarHBondContact O-N 3.24Å; T206-V213 HydrophobicContact CG2-CG2 3.72Å; T206-A329 WeakPolarHBondContact CG2-O 3.29Å; T206-T331 WeakPolarHBondContact CG2-OG1 3.31Å; T206-T331 PolarHBondContact OG1-OG1 2.86Å
207L80.4Confident73.1Confident18 Ų1841.3 Ų41.39%0.09424%0.236CC..Hα-helixtrans-67.2-39.2-177.5-64.1174.2000111.9S209 G210 V213 L239 V242 P302 V304L207-S209 VanDerWaalsContact C-N 3.27Å; L207-S209 PolarHBondContact O-N 3.34Å; L207-G210 PolarHBondContact O-N 3.01Å; L207-V213 HydrophobicContact CD2-CG2 3.8Å; L207-V213 HydrophobicContact CG-CG2 3.97Å; L207-L239 HydrophobicContact CB-CD2 3.97Å; L207-L239 HydrophobicContact CD1-CD1 3.95Å; L207-L239 HydrophobicContact CD1-CD2 4.44Å; L207-V242 HydrophobicContact CD1-CG1 4.24Å; L207-V242 HydrophobicContact CD2-CG1 3.9Å; L207-P302 HydrophobicContact CD2-CB 4.08Å; L207-V304 HydrophobicContact CD1-CG2 3.88Å; L207-V304 HydrophobicContact CD2-CG2 4.05Å
208R76.4Confident73.8Confident166 Ų16639.4 Ų39.463%0.62623%0.225SC*.Hα-helixtrans-65.5-27.9176.3-71.4179.1175.2-171.2-3.3113.6K204 T206 G210K204-R208 VanDerWaalsContact O-CB 3.23Å; K204-R208 WeakPolarHBondContact O-CB 3.16Å; K204-R208 WeakPolarHBondContact O-CD 3.34Å; K204-R208 WeakPolarHBondContact O-CG 3.48Å; K204-R208 PolarHBondContact O-N 2.97Å; T206-R208 PolarHBondContact O-N 3.28Å; R208-G210 PolarHBondContact O-N 2.88Å
209S79.7Confident74.3Confident66 Ų6638 Ų3846%0.46222%0.218SC..THydrogen-bonded Turntrans-845.9174.363.20000113.6V205 T206 L207 G211V205-S209 WeakPolarHBondContact O-CB 3.27Å; V205-S209 PolarHBondContact O-N 3.36Å; V205-S209 PolarHBondContact O-OG 3.08Å; T206-S209 PolarHBondContact O-N 3.31Å; T206-S209 PolarHBondContact O-OG 3.32Å; L207-S209 VanDerWaalsContact C-N 3.27Å; L207-S209 PolarHBondContact O-N 3.34Å; S209-G211 VanDerWaalsContact C-N 3.29Å; S209-G211 PolarHBondContact O-N 3.19Å
210G85.4Confident74.8Confident35 Ų3534.5 Ų34.536%0.36121%0.205SC..THydrogen-bonded Turntrans80.65.4-179.300000114.4T206 L207 R208T206-G210 PolarHBondContact O-N 2.97Å; L207-G210 PolarHBondContact O-N 3.01Å; R208-G210 PolarHBondContact O-N 2.88Å
211G89.2Confident75.5Confident0 Ų034.8 Ų34.80%022%0.216CC..  trans-78.9163.1177.200000113.4T206 S209 P302 A329T206-G211 PolarHBondContact O-N 3.24Å; S209-G211 VanDerWaalsContact C-N 3.29Å; S209-G211 PolarHBondContact O-N 3.19Å; G211-P302 WeakPolarHBondContact O-CB 3.33Å; G211-A329 WeakPolarHBondContact CA-O 3.49Å
212N90.8Very high76.4Confident7 Ų735.7 Ų35.74%0.03721%0.206CC..  trans-100.7148.4178.5-50.1-70.1000111.8S301 C303 W324 N330 T331N212-S301 VanDerWaalsContact CG-OG 3.25Å; N212-S301 PolarHBondContact ND2-OG 2.8Å; N212-S301 WeakPolarHBondContact OD1-CA 3.32Å; N212-S301 WeakPolarHBondContact OD1-CB 3.47Å; N212-S301 PolarHBondContact OD1-OG 3.3Å; N212-C303 CarbonylContact C-O 3.55Å; N212-C303 WeakPolarHBondContact CA-O 3.38Å; N212-C303 PolarHBondContact OD1-N 3.33Å; N212-C303 PolarHBondContact OD1-SG 3.37Å; N212-W324 HydrophobicContact CB-CD2 4.22Å; N212-W324 HydrophobicContact CB-CE3 3.83Å; N212-W324 HydrophobicContact CB-CH2 3.47Å; N212-W324 VanDerWaalsContact CB-CH2 3.47Å; N212-W324 HydrophobicContact CB-CZ2 3.9Å; N212-W324 HydrophobicContact CB-CZ3 3.45Å; N212-W324 VanDerWaalsContact CB-CZ3 3.45Å; N212-N330 WeakPolarHBondContact CB-OD1 3.42Å; N212-N330 PolarHBondContact N-OD1 3.26Å; N212-N330 PolarHBondContact ND2-OD1 3.41Å; N212-N330 CarbonylContact O-C 3.5Å; N212-N330 VanDerWaalsContact O-CA 3.28Å; N212-N330 WeakPolarHBondContact O-CA 3.21Å; N212-T331 PolarHBondContact O-N 3.34Å
213V89.4Confident77.7Confident14 Ų1434.8 Ų34.89%0.08520%0.2CC..EExtended strand (participates in β ladder)trans-108.7121.5174.9-179.50000109T206 L207 I215 C303 V304 V305 T331 V333T206-V213 HydrophobicContact CG2-CG2 3.72Å; L207-V213 HydrophobicContact CD2-CG2 3.8Å; L207-V213 HydrophobicContact CG-CG2 3.97Å; V213-I215 HydrophobicContact CG1-CD1 4.3Å; V213-I215 HydrophobicContact CG1-CG1 4.03Å; V213-C303 PolarHBondContact N-O 3.41Å; V213-V304 HydrophobicContact CB-CG1 4.28Å; V213-V304 HydrophobicContact CB-CG2 4.24Å; V213-V304 HydrophobicContact CG1-CG1 4.34Å; V213-V304 CarbonylContact O-C 3.51Å; V213-V304 WeakPolarHBondContact O-CA 3.33Å; V213-V305 PolarHBondContact O-N 2.91Å; V213-T331 CarbonylContact C-O 3.58Å; V213-T331 WeakPolarHBondContact CA-O 3.43Å; V213-V333 HydrophobicContact CG1-CG2 3.84Å
214L91.3Very high78.8Confident0 Ų032.7 Ų32.70%019%0.19CC..EExtended strand (participates in β ladder)trans-106.3126.1175.8-176.863.6000110.1V305 A307 V317 F320 M321 W324 T331 I332 V333L214-V305 CarbonylContact C-O 3.16Å; L214-V305 WeakPolarHBondContact CA-O 3.28Å; L214-V305 HydrophobicContact CD1-CB 4.23Å; L214-V305 HydrophobicContact CD1-CG1 4.1Å; L214-A307 HydrophobicContact CD1-CB 4.03Å; L214-V317 HydrophobicContact CD1-CG2 4.2Å; L214-V317 HydrophobicContact CD2-CG2 3.89Å; L214-V317 HydrophobicContact CG-CG2 4.14Å; L214-F320 HydrophobicContact CD1-CB 3.63Å; L214-F320 HydrophobicContact CD1-CD1 4.49Å; L214-F320 HydrophobicContact CD1-CD2 4.18Å; L214-F320 HydrophobicContact CD1-CG 3.85Å; L214-F320 HydrophobicContact CD2-CB 3.65Å; L214-F320 HydrophobicContact CG-CB 4.3Å; L214-M321 HydrophobicContact CD2-CG 4.15Å; L214-M321 HydrophobicContact CD2-SD 3.95Å; L214-W324 HydrophobicContact CB-CE3 4.07Å; L214-W324 HydrophobicContact CB-CZ3 4.13Å; L214-W324 HydrophobicContact CD1-CZ3 4.38Å; L214-T331 PolarHBondContact N-O 3.14Å; L214-I332 HydrophobicContact CD2-CD1 4.34Å; L214-I332 CarbonylContact O-C 3.57Å; L214-I332 VanDerWaalsContact O-CA 3.28Å; L214-I332 WeakPolarHBondContact O-CA 3.31Å; L214-V333 PolarHBondContact O-N 3.45Å
215I90.5Very high79.5Confident15 Ų1533.6 Ų33.68%0.07720%0.197CC..EExtended strand (participates in β ladder)trans-120.998.6179.4-50.6-177.6000108.3V213 C217 V304 V305 F306 A307 V333 T335V213-I215 HydrophobicContact CG1-CD1 4.3Å; V213-I215 HydrophobicContact CG1-CG1 4.03Å; I215-C217 PolarHBondContact O-N 3.38Å; I215-V304 HydrophobicContact CD1-CG1 4Å; I215-V305 PolarHBondContact N-O 2.87Å; I215-F306 HydrophobicContact CB-CD1 3.84Å; I215-F306 HydrophobicContact CB-CE1 4.08Å; I215-F306 HydrophobicContact CB-CG 4.25Å; I215-F306 HydrophobicContact CD1-CD1 4.24Å; I215-F306 HydrophobicContact CD1-CD2 4.49Å; I215-F306 HydrophobicContact CD1-CE1 3.67Å; I215-F306 HydrophobicContact CD1-CE2 3.93Å; I215-F306 HydrophobicContact CD1-CZ 3.51Å; I215-F306 HydrophobicContact CG1-CE1 4.43Å; I215-F306 HydrophobicContact CG2-CD1 3.82Å; I215-F306 HydrophobicContact CG2-CE1 3.85Å; I215-F306 WeakPolarHBondContact O-CA 3.42Å; I215-A307 PolarHBondContact O-N 3.12Å; I215-V333 HydrophobicContact CG1-CB 4.22Å; I215-T335 HydrophobicContact CG2-CG2 4Å
216P89.4Confident80.2Confident2 Ų231.9 Ų31.91%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-65.2118.8174.3-19.834.6000110A307 L312 V317 I332 V333 I334P216-A307 WeakPolarHBondContact CA-O 3.31Å; P216-L312 HydrophobicContact CB-CD2 3.69Å; P216-L312 HydrophobicContact CG-CD2 3.48Å; P216-L312 VanDerWaalsContact CG-CD2 3.48Å; P216-V317 HydrophobicContact CB-CG2 3.9Å; P216-V317 HydrophobicContact CG-CG2 3.83Å; P216-I332 HydrophobicContact CG-CD1 3.66Å; P216-I332 HydrophobicContact CG-CG1 3.92Å; P216-V333 WeakPolarHBondContact CD-O 3.26Å; P216-I334 HydrophobicContact CG-CD1 3.82Å
217C84.4Confident80.1Confident4 Ų431.8 Ų31.83%0.02719%0.185CC..  trans-150.9170.5-173.3790000113.2I215 T223 F306 A307 S308 P310I215-C217 PolarHBondContact O-N 3.38Å; C217-T223 HydrophobicContact CB-CG2 4.48Å; C217-T223 VanDerWaalsContact CB-OG1 3.27Å; C217-T223 WeakPolarHBondContact CB-OG1 3.48Å; C217-T223 PolarHBondContact SG-OG1 2.74Å; C217-F306 HydrophobicContact CB-CD1 4.47Å; C217-A307 PolarHBondContact N-O 2.78Å; C217-S308 VanDerWaalsContact O-CA 3.26Å; C217-S308 WeakPolarHBondContact O-CA 3.49Å; C217-P310 VanDerWaalsContact C-CD 3.46Å; C217-P310 WeakPolarHBondContact O-CD 3.46Å
218V78Confident79.7Confident27 Ų2732.6 Ų32.616%0.16419%0.188CC..  trans-103.8139.5164-1780000106.4C220 T223 P310 V375V218-C220 WeakPolarHBondContact CG1-SG 3.36Å; V218-C220 PolarHBondContact O-N 2.97Å; V218-T223 VanDerWaalsContact O-CB 3.24Å; V218-T223 WeakPolarHBondContact O-CB 3.4Å; V218-T223 PolarHBondContact O-OG1 3.23Å; V218-P310 HydrophobicContact CG2-CG 4.02Å; V218-V375 HydrophobicContact CG1-CG1 3.64Å; V218-V375 HydrophobicContact CG1-CG2 4.29Å; V218-V375 HydrophobicContact CG2-CG1 4.4Å
219P76.5Confident79.4Confident3 Ų328 Ų282%0.01918%0.181CC..SBendtrans-74.346.8-176.133.7-40000113.3F224 L246 V250 A251 C254P219-F224 VanDerWaalsContact O-CE1 3.31Å; P219-F224 WeakPolarHBondContact O-CE1 2.98Å; P219-F224 WeakPolarHBondContact O-CZ 3.47Å; P219-L246 HydrophobicContact CB-CD1 4.25Å; P219-L246 HydrophobicContact CB-CD2 4.23Å; P219-V250 HydrophobicContact CG-CG2 3.59Å; P219-A251 HydrophobicContact CB-CB 3.93Å; P219-A251 HydrophobicContact CG-CB 4.47Å; P219-C254 HydrophobicContact CB-CB 4.44Å; P219-C254 WeakPolarHBondContact O-CB 3.33Å
220C70.9Confident79.2Confident34 Ų3426.9 Ų26.923%0.2317%0.17CC..SBendtrans-152.9173175.364.90000110.5V218 L222 T223V218-C220 WeakPolarHBondContact CG1-SG 3.36Å; V218-C220 PolarHBondContact O-N 2.97Å; C220-L222 PolarHBondContact O-N 3.17Å; C220-T223 PolarHBondContact O-N 3.28Å
221G69.9Low78.7Confident47 Ų4725.9 Ų25.949%0.48516%0.156SC..THydrogen-bonded Turntrans58.3-126.6175.300000111.8T223 F224G221-T223 PolarHBondContact O-N 2.91Å; G221-F224 PolarHBondContact O-N 3.01Å
222L69.2Low77.7Confident81 Ų8129.4 Ų29.442%0.42418%0.18SC..Hα-helixtrans-51.7-29.9-177.1-68.9174.6000113.9C220 F224 D225 L226C220-L222 PolarHBondContact O-N 3.17Å; L222-F224 VanDerWaalsContact C-N 3.27Å; L222-F224 PolarHBondContact O-N 2.82Å; L222-D225 PolarHBondContact O-N 2.93Å; L222-L226 WeakPolarHBondContact O-CB 3.33Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.87Å
223T76.5Confident76.6Confident5 Ų533.3 Ų33.33%0.03120%0.198CC..Hα-helixtrans-60.3-35.9177.7-62.70000112.7C217 V218 C220 G221 L227 L246 F306C217-T223 HydrophobicContact CB-CG2 4.48Å; C217-T223 VanDerWaalsContact CB-OG1 3.27Å; C217-T223 WeakPolarHBondContact CB-OG1 3.48Å; C217-T223 PolarHBondContact SG-OG1 2.74Å; V218-T223 VanDerWaalsContact O-CB 3.24Å; V218-T223 WeakPolarHBondContact O-CB 3.4Å; V218-T223 PolarHBondContact O-OG1 3.23Å; C220-T223 PolarHBondContact O-N 3.28Å; G221-T223 PolarHBondContact O-N 2.91Å; T223-L227 HydrophobicContact CG2-CD1 4.08Å; T223-L227 HydrophobicContact CG2-CG 4.43Å; T223-L227 WeakPolarHBondContact O-CB 3.45Å; T223-L227 VanDerWaalsContact O-CG 3.25Å; T223-L227 WeakPolarHBondContact O-CG 3.34Å; T223-L227 PolarHBondContact O-N 3.03Å; T223-L246 HydrophobicContact CG2-CD1 4.06Å; T223-F306 HydrophobicContact CG2-CD1 4Å; T223-F306 HydrophobicContact CG2-CE1 4.49Å
224F73.8Confident75.6Confident19 Ų1933.4 Ų33.48%0.08320%0.198CC..Hα-helixtrans-71.4-38.1179-61.9-22.9000111.7P219 G221 L222 L227 E228 C254 L255 A258 F280P219-F224 VanDerWaalsContact O-CE1 3.31Å; P219-F224 WeakPolarHBondContact O-CE1 2.98Å; P219-F224 WeakPolarHBondContact O-CZ 3.47Å; G221-F224 PolarHBondContact O-N 3.01Å; L222-F224 VanDerWaalsContact C-N 3.27Å; L222-F224 PolarHBondContact O-N 2.82Å; F224-L227 PolarHBondContact O-N 3.09Å; F224-E228 WeakPolarHBondContact O-CB 3.27Å; F224-E228 PolarHBondContact O-N 2.74Å; F224-C254 HydrophobicContact CZ-CB 4.01Å; F224-L255 HydrophobicContact CD1-CD2 3.82Å; F224-L255 HydrophobicContact CE1-CD2 3.41Å; F224-L255 VanDerWaalsContact CE1-CD2 3.41Å; F224-L255 HydrophobicContact CE1-CG 4.13Å; F224-L255 HydrophobicContact CZ-CD2 4.14Å; F224-A258 HydrophobicContact CD2-CB 3.92Å; F224-A258 HydrophobicContact CE2-CB 3.52Å; F224-A258 HydrophobicContact CZ-CB 4.11Å; F224-F280 HydrophobicContact CB-CD1 4.38Å; F224-F280 HydrophobicContact CB-CE1 3.97Å
225D69.7Low74.3Confident82 Ų8236.2 Ų36.244%0.43923%0.227SC..Hα-helixtrans-67.7-39.9175.3-57.4-41.7000111.1L222 E228 S229 K269L222-D225 PolarHBondContact O-N 2.93Å; D225-E228 PolarHBondContact O-N 3.05Å; D225-S229 WeakPolarHBondContact O-CB 3.19Å; D225-S229 PolarHBondContact O-N 3.26Å; D225-K269 IonicContact OD1-NZ 2.99Å
226L74Confident72.9Confident42 Ų4238.7 Ų38.722%0.2226%0.257CS..Hα-helixtrans-64.6-42.7174.5-71.5172.9000112.2L222 E228 L230 F306 T335L222-L226 WeakPolarHBondContact O-CB 3.33Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.87Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-L230 VanDerWaalsContact O-CB 3.23Å; L226-L230 WeakPolarHBondContact O-CB 3.07Å; L226-L230 PolarHBondContact O-N 2.77Å; L226-F306 HydrophobicContact CB-CE1 3.94Å; L226-F306 HydrophobicContact CB-CZ 4.27Å; L226-F306 HydrophobicContact CD1-CE1 4.38Å; L226-T335 HydrophobicContact CD1-CG2 3.73Å
227L77Confident71.6Confident0 Ų041.5 Ų41.50%027%0.267CS..Hα-helixtrans-61.5-45.7174.9-77.8169.7000110.8T223 F224 L230 F231 V244 L246 L289 F306T223-L227 HydrophobicContact CG2-CD1 4.08Å; T223-L227 HydrophobicContact CG2-CG 4.43Å; T223-L227 WeakPolarHBondContact O-CB 3.45Å; T223-L227 VanDerWaalsContact O-CG 3.25Å; T223-L227 WeakPolarHBondContact O-CG 3.34Å; T223-L227 PolarHBondContact O-N 3.03Å; F224-L227 PolarHBondContact O-N 3.09Å; L227-L230 PolarHBondContact O-N 2.97Å; L227-F231 HydrophobicContact CB-CD2 4.37Å; L227-F231 HydrophobicContact CB-CE2 4.22Å; L227-F231 HydrophobicContact CD2-CE2 3.94Å; L227-F231 HydrophobicContact CD2-CZ 4.47Å; L227-F231 WeakPolarHBondContact O-CB 3.43Å; L227-F231 WeakPolarHBondContact O-CD2 3.34Å; L227-F231 WeakPolarHBondContact O-CG 3.26Å; L227-F231 PolarHBondContact O-N 3.14Å; L227-V244 HydrophobicContact CD2-CG1 4.01Å; L227-L246 HydrophobicContact CD1-CD2 4.24Å; L227-L289 HydrophobicContact CD1-CD2 4.33Å; L227-L289 HydrophobicContact CD2-CD2 4.08Å; L227-F306 HydrophobicContact CD2-CD2 3.7Å; L227-F306 HydrophobicContact CD2-CE1 4.48Å; L227-F306 HydrophobicContact CD2-CE2 3.43Å; L227-F306 VanDerWaalsContact CD2-CE2 3.43Å; L227-F306 HydrophobicContact CD2-CG 4.34Å; L227-F306 HydrophobicContact CD2-CZ 3.85Å; L227-F306 HydrophobicContact CG-CE1 4.45Å; L227-F306 HydrophobicContact CG-CE2 4.23Å; L227-F306 HydrophobicContact CG-CZ 4.17Å
228E72.2Confident70.8Confident36 Ų3647.9 Ų47.917%0.16830%0.301CS..Hα-helixtrans-63-45.9178.8-172.4168-167.300112.3F224 D225 L226 F231 S232 K269 L281F224-E228 WeakPolarHBondContact O-CB 3.27Å; F224-E228 PolarHBondContact O-N 2.74Å; D225-E228 PolarHBondContact O-N 3.05Å; L226-E228 VanDerWaalsContact C-N 3.35Å; E228-F231 PolarHBondContact O-N 3.15Å; E228-S232 WeakPolarHBondContact O-CB 3.47Å; E228-S232 PolarHBondContact O-N 2.99Å; E228-K269 WeakPolarHBondContact OE2-CE 3.4Å; E228-K269 IonicContact OE2-NZ 2.77Å; E228-K269 PolarHBondContact OE2-NZ 2.83Å; E228-L281 HydrophobicContact CG-CB 4.42Å; E228-L281 HydrophobicContact CG-CD1 3.62Å
229S70.1Confident70.5Confident68 Ų6847.7 Ų47.748%0.47630%0.299SS..Hα-helixtrans-57.1-49.6173.2179.10000111.2D225 F231 S232 Q233D225-S229 WeakPolarHBondContact O-CB 3.19Å; D225-S229 PolarHBondContact O-N 3.26Å; S229-F231 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-N 2.98Å; S229-Q233 VanDerWaalsContact O-CG 3.28Å; S229-Q233 WeakPolarHBondContact O-CG 3.5Å; S229-Q233 PolarHBondContact O-N 2.86Å
230L75.4Confident70.3Confident44 Ų4451 Ų5123%0.2332%0.322CS..Hα-helixtrans-59-49.6179.6178.565000111.5L226 L227 S232 Q233 I234 V244 V304 F306L226-L230 VanDerWaalsContact O-CB 3.23Å; L226-L230 WeakPolarHBondContact O-CB 3.07Å; L226-L230 PolarHBondContact O-N 2.77Å; L227-L230 PolarHBondContact O-N 2.97Å; L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 3.2Å; L230-Q233 PolarHBondContact O-N 2.9Å; L230-I234 WeakPolarHBondContact O-CB 3.3Å; L230-I234 PolarHBondContact O-N 2.65Å; L230-V244 HydrophobicContact CD2-CG1 3.83Å; L230-V244 HydrophobicContact CD2-CG2 3.92Å; L230-V304 HydrophobicContact CD2-CB 4.33Å; L230-V304 HydrophobicContact CD2-CG1 3.9Å; L230-V304 HydrophobicContact CD2-CG2 4.42Å; L230-F306 HydrophobicContact CD2-CE2 3.82Å; L230-F306 HydrophobicContact CD2-CZ 4.23Å
231F75.4Confident70.6Confident14 Ų1454.3 Ų54.36%0.06135%0.346CS..Hα-helixtrans-67.9-31.8-179.9-71.6-55.8000113L227 E228 S229 Q233 I234 V244 V285 L289L227-F231 HydrophobicContact CB-CD2 4.37Å; L227-F231 HydrophobicContact CB-CE2 4.22Å; L227-F231 HydrophobicContact CD2-CE2 3.94Å; L227-F231 HydrophobicContact CD2-CZ 4.47Å; L227-F231 WeakPolarHBondContact O-CB 3.43Å; L227-F231 WeakPolarHBondContact O-CD2 3.34Å; L227-F231 WeakPolarHBondContact O-CG 3.26Å; L227-F231 PolarHBondContact O-N 3.14Å; E228-F231 PolarHBondContact O-N 3.15Å; S229-F231 PolarHBondContact O-N 3.07Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.12Å; F231-I234 WeakPolarHBondContact O-CG2 3.45Å; F231-V244 HydrophobicContact CE1-CB 3.93Å; F231-V244 HydrophobicContact CE1-CG1 4.34Å; F231-V244 HydrophobicContact CE1-CG2 3.84Å; F231-V244 HydrophobicContact CZ-CB 3.86Å; F231-V244 HydrophobicContact CZ-CG1 3.9Å; F231-V244 HydrophobicContact CZ-CG2 4.24Å; F231-V285 HydrophobicContact CD1-CB 4.4Å; F231-V285 HydrophobicContact CD1-CG1 3.59Å; F231-V285 HydrophobicContact CD2-CB 4.46Å; F231-V285 HydrophobicContact CD2-CG1 4.37Å; F231-V285 HydrophobicContact CE1-CB 4.39Å; F231-V285 HydrophobicContact CE1-CG1 3.37Å; F231-V285 HydrophobicContact CE2-CB 4.46Å; F231-V285 HydrophobicContact CE2-CG1 4.2Å; F231-V285 HydrophobicContact CG-CB 4.45Å; F231-V285 HydrophobicContact CG-CG1 4.11Å; F231-V285 HydrophobicContact CG-CG2 4.44Å; F231-V285 HydrophobicContact CZ-CB 4.43Å; F231-V285 HydrophobicContact CZ-CG1 3.71Å; F231-L289 HydrophobicContact CE2-CD1 3.73Å; F231-L289 HydrophobicContact CE2-CG 4.3Å; F231-L289 HydrophobicContact CZ-CD1 3.93Å; F231-L289 HydrophobicContact CZ-CG 4.05Å
232S68.5Low71.2Confident74 Ų7452.5 Ų52.552%0.51733%0.325SS..Hα-helixtrans-65.3-34.6173.1177.40000111.9E228 S229 L230E228-S232 WeakPolarHBondContact O-CB 3.47Å; E228-S232 PolarHBondContact O-N 2.99Å; S229-S232 PolarHBondContact O-N 2.98Å; L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 3.2Å
233Q66.4Low71.9Confident89 Ų8950.5 Ų50.542%0.41632%0.317SS..Hα-helixtrans-88.8-27-177.5-65.4-61.3-50.800113.5S229 L230 F231 G235 G236 Y237S229-Q233 VanDerWaalsContact O-CG 3.28Å; S229-Q233 WeakPolarHBondContact O-CG 3.5Å; S229-Q233 PolarHBondContact O-N 2.86Å; L230-Q233 PolarHBondContact O-N 2.9Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.12Å; Q233-G235 PolarHBondContact O-N 3.48Å; Q233-G235 VanDerWaalsContact O-N 3.15Å; Q233-G236 PolarHBondContact O-N 3.2Å; Q233-Y237 HydrophobicContact CB-CD2 4.26Å; Q233-Y237 HydrophobicContact CB-CE2 4.03Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.39Å
234I68.3Low72.2Confident15 Ų1550.3 Ų50.38%0.07732%0.316CS..Hα-helixtrans-59.2-33.9-171.6-150.3169000113L230 F231 L239 V244L230-I234 WeakPolarHBondContact O-CB 3.3Å; L230-I234 PolarHBondContact O-N 2.65Å; F231-I234 WeakPolarHBondContact O-CG2 3.45Å; I234-L239 WeakPolarHBondContact CD1-O 3.38Å; I234-L239 HydrophobicContact CG1-CB 3.64Å; I234-L239 VanDerWaalsContact CG1-O 3.31Å; I234-L239 WeakPolarHBondContact CG1-O 3.4Å; I234-L239 PolarHBondContact O-N 3.35Å; I234-V244 HydrophobicContact CD1-CG2 4.05Å
235G63.9Low72.7Confident60 Ų6050 Ų5062%0.61932%0.315SS*.G310 helixtrans-69.8-29.4177.500000113.7Q233 Y237Q233-G235 PolarHBondContact O-N 3.48Å; Q233-G235 VanDerWaalsContact O-N 3.15Å; G235-Y237 VanDerWaalsContact C-N 3.32Å; G235-Y237 PolarHBondContact O-N 3.32Å
236G62Low73.4Confident67 Ų6746.2 Ų46.269%0.69129%0.294SS*.G310 helixtrans-76.7-16.8179.800000114.2Q233Q233-G236 PolarHBondContact O-N 3.2Å
237Y61.1Low73.7Confident61 Ų6144.3 Ų44.324%0.23928%0.284CS..G310 helixtrans-112.710.3-169.3-67.6-59.8000115.6K204 Q233 G235 L239K204-Y237 HydrophobicContact CD-CD1 4.32Å; K204-Y237 HydrophobicContact CD-CE1 4.12Å; K204-Y237 WeakPolarHBondContact CE-OH 2.88Å; K204-Y237 VanDerWaalsContact NZ-CZ 3.35Å; K204-Y237 PolarHBondContact NZ-OH 3.4Å; Q233-Y237 HydrophobicContact CB-CD2 4.26Å; Q233-Y237 HydrophobicContact CB-CE2 4.03Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.39Å; G235-Y237 VanDerWaalsContact C-N 3.32Å; G235-Y237 PolarHBondContact O-N 3.32Å; Y237-L239 PolarHBondContact O-N 3.38Å
238D67.8Low73.7Confident138 Ų13845 Ų4574%0.73829%0.29SS*.THydrogen-bonded Turntrans55.531.2-171.7-162.725.9000112.4
239L71.7Confident73.7Confident22 Ų2251.4 Ų51.412%0.11532%0.319CS..  trans-101.29.4177.8-64.2175.3000111.4L207 I234 Y237 S241 V242L207-L239 HydrophobicContact CB-CD2 3.97Å; L207-L239 HydrophobicContact CD1-CD1 3.95Å; L207-L239 HydrophobicContact CD1-CD2 4.44Å; I234-L239 WeakPolarHBondContact CD1-O 3.38Å; I234-L239 HydrophobicContact CG1-CB 3.64Å; I234-L239 VanDerWaalsContact CG1-O 3.31Å; I234-L239 WeakPolarHBondContact CG1-O 3.4Å; I234-L239 PolarHBondContact O-N 3.35Å; Y237-L239 PolarHBondContact O-N 3.38Å; L239-S241 PolarHBondContact O-N 2.98Å; L239-S241 VanDerWaalsContact O-N 3.08Å; L239-V242 HydrophobicContact CB-CG2 4.18Å; L239-V242 HydrophobicContact CD2-CG2 3.99Å; L239-V242 VanDerWaalsContact O-CB 3.29Å; L239-V242 WeakPolarHBondContact O-CB 3.24Å; L239-V242 PolarHBondContact O-N 3.44Å
240S72.4Confident73.8Confident72 Ų7249.9 Ų49.950%0.50331%0.307SS..THydrogen-bonded Turntrans-59.6-21.5-177.257.90000113.7
241S77.8Confident73.7Confident104 Ų10447.8 Ų47.873%0.72730%0.296SS*.THydrogen-bonded Turntrans-82.9-12.917561.50000114.2L239 P243L239-S241 PolarHBondContact O-N 2.98Å; L239-S241 VanDerWaalsContact O-N 3.08Å; S241-P243 WeakPolarHBondContact O-CD 3.03Å
242V82.3Confident73.6Confident9 Ų953.7 Ų53.76%0.05532%0.318CS..SBendtrans-79.8118-177.3179.80000109.6L207 L239 P302 V304L207-V242 HydrophobicContact CD1-CG1 4.24Å; L207-V242 HydrophobicContact CD2-CG1 3.9Å; L239-V242 HydrophobicContact CB-CG2 4.18Å; L239-V242 HydrophobicContact CD2-CG2 3.99Å; L239-V242 VanDerWaalsContact O-CB 3.29Å; L239-V242 WeakPolarHBondContact O-CB 3.24Å; L239-V242 PolarHBondContact O-N 3.44Å; V242-P302 HydrophobicContact CG2-CG 4.3Å; V242-V304 HydrophobicContact CG1-CG2 4.37Å
243P83.4Confident73.9Confident40 Ų4055.1 Ų55.126%0.2632%0.32SS..  trans-71.4142.4178.929-34.8000112.1S241 F245 P302 C303 V304S241-P243 WeakPolarHBondContact O-CD 3.03Å; P243-F245 HydrophobicContact CB-CD2 4.47Å; P243-F245 HydrophobicContact CB-CE2 3.63Å; P243-F245 HydrophobicContact CB-CZ 3.83Å; P243-F245 HydrophobicContact CG-CE2 3.75Å; P243-F245 HydrophobicContact CG-CZ 4.13Å; P243-P302 WeakPolarHBondContact CD-O 3.04Å; P243-C303 HydrophobicContact CG-CB 3.91Å; P243-C303 WeakPolarHBondContact O-CA 3.5Å; P243-C303 WeakPolarHBondContact O-CB 3.12Å; P243-V304 PolarHBondContact O-N 3.28Å
244V84Confident74.3Confident0 Ų052.2 Ų52.20%031%0.309CS..EExtended strand (participates in β ladder)trans-117117.6178.7-177.70000109.5L227 L230 F231 I234 Q288 L289 V304 F306L227-V244 HydrophobicContact CD2-CG1 4.01Å; L230-V244 HydrophobicContact CD2-CG1 3.83Å; L230-V244 HydrophobicContact CD2-CG2 3.92Å; F231-V244 HydrophobicContact CE1-CB 3.93Å; F231-V244 HydrophobicContact CE1-CG1 4.34Å; F231-V244 HydrophobicContact CE1-CG2 3.84Å; F231-V244 HydrophobicContact CZ-CB 3.86Å; F231-V244 HydrophobicContact CZ-CG1 3.9Å; F231-V244 HydrophobicContact CZ-CG2 4.24Å; I234-V244 HydrophobicContact CD1-CG2 4.05Å; V244-Q288 CarbonylContact O-C 3.54Å; V244-L289 WeakPolarHBondContact O-CA 3.43Å; V244-V304 CarbonylContact C-O 3.54Å; V244-V304 WeakPolarHBondContact CA-O 3.33Å; V244-V304 HydrophobicContact CG1-CB 4.35Å; V244-V304 HydrophobicContact CG2-CB 4.23Å; V244-F306 HydrophobicContact CG1-CD2 4.15Å; V244-F306 HydrophobicContact CG1-CE2 3.97Å
245F84.3Confident74.7Confident14 Ų1451.7 Ų51.76%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-106.7138.2-177-59.7-91.1000111.4P243 V247 V290 I295 I299 C303 V304 V305 F306P243-F245 HydrophobicContact CB-CD2 4.47Å; P243-F245 HydrophobicContact CB-CE2 3.63Å; P243-F245 HydrophobicContact CB-CZ 3.83Å; P243-F245 HydrophobicContact CG-CE2 3.75Å; P243-F245 HydrophobicContact CG-CZ 4.13Å; F245-V247 HydrophobicContact CB-CG2 4.11Å; F245-V290 HydrophobicContact CD1-CB 3.69Å; F245-V290 HydrophobicContact CD1-CG1 4.39Å; F245-V290 HydrophobicContact CD1-CG2 4.41Å; F245-V290 HydrophobicContact CE1-CB 3.78Å; F245-V290 HydrophobicContact CE1-CG1 4.33Å; F245-V290 HydrophobicContact CE1-CG2 4.1Å; F245-I295 HydrophobicContact CD1-CD1 4.24Å; F245-I295 HydrophobicContact CE1-CD1 4.36Å; F245-I299 HydrophobicContact CD1-CG1 4.48Å; F245-I299 HydrophobicContact CD2-CG1 4.46Å; F245-I299 HydrophobicContact CE1-CG1 4.31Å; F245-I299 HydrophobicContact CE2-CG1 4.24Å; F245-I299 HydrophobicContact CE2-CG2 4.17Å; F245-I299 HydrophobicContact CZ-CG1 4.19Å; F245-C303 HydrophobicContact CD2-CB 4.1Å; F245-C303 HydrophobicContact CE2-CB 3.79Å; F245-V304 PolarHBondContact N-O 2.88Å; F245-V305 HydrophobicContact CB-CG1 4.5Å; F245-V305 HydrophobicContact CB-CG2 4.13Å; F245-V305 HydrophobicContact CD2-CG2 3.94Å; F245-V305 HydrophobicContact CG-CG2 4.38Å; F245-F306 PolarHBondContact O-N 3.13Å
246L83.5Confident75.2Confident1 Ų151.5 Ų51.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-113.9101.7165.9-179.964.1000109.1P219 T223 L227 A251 L255 L289 F291 F306P219-L246 HydrophobicContact CB-CD1 4.25Å; P219-L246 HydrophobicContact CB-CD2 4.23Å; T223-L246 HydrophobicContact CG2-CD1 4.06Å; L227-L246 HydrophobicContact CD1-CD2 4.24Å; L246-A251 HydrophobicContact CD2-CB 3.64Å; L246-A251 HydrophobicContact CG-CB 3.7Å; L246-L255 HydrophobicContact CD2-CD1 3.96Å; L246-L255 HydrophobicContact CD2-CD2 4.41Å; L246-L255 HydrophobicContact CD2-CG 4.29Å; L246-L289 HydrophobicContact CB-CD2 3.33Å; L246-L289 HydrophobicContact CD2-CD2 4.41Å; L246-L289 HydrophobicContact CG-CD2 4.49Å; L246-F291 HydrophobicContact CD2-CE1 4.49Å; L246-F306 HydrophobicContact CD1-CB 3.54Å; L246-F306 HydrophobicContact CD1-CG 4.46Å
247V81.1Confident75.7Confident2 Ų254.5 Ų54.51%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-98.599.9-173.9-170.50000109.2F245 A292 I295 V305 F306 A307 S308 D316 F320F245-V247 HydrophobicContact CB-CG2 4.11Å; V247-A292 HydrophobicContact CB-CB 4.19Å; V247-A292 HydrophobicContact CG1-CB 3.84Å; V247-A292 HydrophobicContact CG2-CB 3.74Å; V247-I295 HydrophobicContact CG2-CG2 4.42Å; V247-V305 HydrophobicContact CG2-CG1 3.77Å; V247-F306 PolarHBondContact N-O 3.14Å; V247-A307 HydrophobicContact CB-CB 4.4Å; V247-S308 PolarHBondContact O-N 3.22Å; V247-S308 VanDerWaalsContact O-N 3.15Å; V247-D316 HydrophobicContact CB-CB 4.35Å; V247-D316 HydrophobicContact CG1-CB 3.58Å; V247-F320 HydrophobicContact CB-CE2 4.38Å; V247-F320 HydrophobicContact CG1-CE2 4.23Å; V247-F320 HydrophobicContact CG2-CE2 4.16Å; V247-F320 HydrophobicContact CG2-CZ 4.18Å
248S76.4Confident76.1Confident16 Ų1652.2 Ų52.211%0.11228%0.284CS..  trans-164144.3170.1-169.60000109.7V250 A251 S308S248-V250 PolarHBondContact O-N 2.95Å; S248-A251 WeakPolarHBondContact O-CB 3.29Å; S248-A251 PolarHBondContact O-N 3.05Å; S248-S308 VanDerWaalsContact CB-OG 3.25Å; S248-S308 WeakPolarHBondContact CB-OG 3.15Å; S248-S308 PolarHBondContact OG-OG 3.39Å
249E72Confident76.3Confident169 Ų16947.7 Ų47.779%0.7926%0.26SS*.THydrogen-bonded Turntrans-61.1-32.9176.1-66.7-170.7160.600112.5
250V71.4Confident76.3Confident36 Ų3651.7 Ų51.722%0.21828%0.28CS..THydrogen-bonded Turntrans-92.3-5.5-177.7-59.90000113.3P219 S248 R252 N253 C254 Y378P219-V250 HydrophobicContact CG-CG2 3.59Å; S248-V250 PolarHBondContact O-N 2.95Å; V250-R252 PolarHBondContact O-N 3.36Å; V250-N253 PolarHBondContact O-N 3.28Å; V250-N253 VanDerWaalsContact O-N 3.09Å; V250-C254 PolarHBondContact O-N 3.27Å; V250-C254 PolarHBondContact O-SG 3.15Å; V250-Y378 HydrophobicContact CG1-CD1 4.16Å; V250-Y378 HydrophobicContact CG1-CE1 4.22Å; V250-Y378 HydrophobicContact CG1-CG 4.45Å
251A74.3Confident76.2Confident0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-60-40.5-170.200000113.9P219 L246 S248 N253 C254 L255 F291P219-A251 HydrophobicContact CB-CB 3.93Å; P219-A251 HydrophobicContact CG-CB 4.47Å; L246-A251 HydrophobicContact CD2-CB 3.64Å; L246-A251 HydrophobicContact CG-CB 3.7Å; S248-A251 WeakPolarHBondContact O-CB 3.29Å; S248-A251 PolarHBondContact O-N 3.05Å; A251-N253 VanDerWaalsContact C-N 3.32Å; A251-N253 PolarHBondContact O-N 3.3Å; A251-C254 PolarHBondContact O-N 3.49Å; A251-L255 WeakPolarHBondContact O-CG 3.32Å; A251-L255 PolarHBondContact O-N 2.8Å; A251-F291 HydrophobicContact CB-CD1 3.67Å; A251-F291 HydrophobicContact CB-CE1 3.66Å
252R74.2Confident75.7Confident138 Ų13849.1 Ų49.152%0.52125%0.245SC..Hα-helixtrans-59.7-44.3176.6-69.7-167.9-158.1121.73.7111.9V250 A256 F291V250-R252 PolarHBondContact O-N 3.36Å; R252-A256 WeakPolarHBondContact O-CB 3.39Å; R252-A256 PolarHBondContact O-N 2.76Å; R252-F291 HydrophobicContact CB-CD1 4.4Å; R252-F291 HydrophobicContact CB-CE1 4.35Å; R252-F291 HydrophobicContact CG-CB 4.07Å; R252-F291 HydrophobicContact CG-CD1 3.45Å; R252-F291 VanDerWaalsContact CG-CD1 3.45Å; R252-F291 HydrophobicContact CG-CD2 3.53Å; R252-F291 HydrophobicContact CG-CE1 3.68Å; R252-F291 HydrophobicContact CG-CE2 3.79Å; R252-F291 HydrophobicContact CG-CG 3.36Å; R252-F291 HydrophobicContact CG-CZ 3.86Å
253N73.4Confident75Confident104 Ų10453.8 Ų53.856%0.55627%0.266SS*.Hα-helixtrans-68.2-41.7-179.5-65.6-6.3000110.3V250 A251 L255 A256 Y257V250-N253 PolarHBondContact O-N 3.28Å; V250-N253 VanDerWaalsContact O-N 3.09Å; A251-N253 VanDerWaalsContact C-N 3.32Å; A251-N253 PolarHBondContact O-N 3.3Å; N253-L255 PolarHBondContact O-N 3.36Å; N253-A256 PolarHBondContact O-N 3Å; N253-Y257 HydrophobicContact CB-CE2 4.48Å; N253-Y257 WeakPolarHBondContact O-CD2 3.32Å; N253-Y257 PolarHBondContact O-N 3.09Å
254C75.6Confident73.9Confident29 Ų2961.8 Ų61.820%0.19629%0.291CS..Hα-helixtrans-63.1-40.7179-63.90000112.7P219 F224 V250 A251 Y257 A258P219-C254 HydrophobicContact CB-CB 4.44Å; P219-C254 WeakPolarHBondContact O-CB 3.33Å; F224-C254 HydrophobicContact CZ-CB 4.01Å; V250-C254 PolarHBondContact O-N 3.27Å; V250-C254 PolarHBondContact O-SG 3.15Å; A251-C254 PolarHBondContact O-N 3.49Å; C254-Y257 PolarHBondContact O-N 3.04Å; C254-A258 PolarHBondContact O-N 3.32Å
255L75.8Confident73Confident3 Ų364.4 Ų64.42%0.01631%0.305CS..Hα-helixtrans-67.9-41.1175.2-66.3166.1000111.6F224 L246 A251 N253 Y257 A258 N259 H282 F291F224-L255 HydrophobicContact CD1-CD2 3.82Å; F224-L255 HydrophobicContact CE1-CD2 3.41Å; F224-L255 VanDerWaalsContact CE1-CD2 3.41Å; F224-L255 HydrophobicContact CE1-CG 4.13Å; F224-L255 HydrophobicContact CZ-CD2 4.14Å; L246-L255 HydrophobicContact CD2-CD1 3.96Å; L246-L255 HydrophobicContact CD2-CD2 4.41Å; L246-L255 HydrophobicContact CD2-CG 4.29Å; A251-L255 WeakPolarHBondContact O-CG 3.32Å; A251-L255 PolarHBondContact O-N 2.8Å; N253-L255 PolarHBondContact O-N 3.36Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 2.87Å; L255-A258 WeakPolarHBondContact O-CB 3.1Å; L255-A258 PolarHBondContact O-N 3.16Å; L255-A258 VanDerWaalsContact O-N 3.16Å; L255-N259 PolarHBondContact O-N 3.48Å; L255-N259 VanDerWaalsContact O-N 3.12Å; L255-H282 VanDerWaalsContact CD2-CD2 3.44Å; L255-H282 WeakPolarHBondContact CD2-CD2 3.38Å; L255-H282 WeakPolarHBondContact CD2-NE2 3.49Å; L255-F291 HydrophobicContact CD1-CE1 3.57Å; L255-F291 HydrophobicContact CD1-CZ 3.36Å
256A74.2Confident72.2Confident56 Ų5667.3 Ų67.346%0.46333%0.327SS..Hα-helixtrans-60-40.917400000111.7R252 N253 N259 I260R252-A256 WeakPolarHBondContact O-CB 3.39Å; R252-A256 PolarHBondContact O-N 2.76Å; N253-A256 PolarHBondContact O-N 3Å; A256-N259 PolarHBondContact O-N 3.41Å; A256-I260 PolarHBondContact O-N 2.68Å
257Y72.4Confident71.4Confident131 Ų13175.5 Ų75.551%0.51437%0.365SS..Hα-helixtrans-64-39.6174.2-81.3-57.9000112.8N253 C254 L255 N259 I260 Y261N253-Y257 HydrophobicContact CB-CE2 4.48Å; N253-Y257 WeakPolarHBondContact O-CD2 3.32Å; N253-Y257 PolarHBondContact O-N 3.09Å; C254-Y257 PolarHBondContact O-N 3.04Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 2.87Å; Y257-N259 PolarHBondContact O-N 2.81Å; Y257-I260 HydrophobicContact CD1-CD1 3.9Å; Y257-I260 HydrophobicContact CD1-CG1 4.34Å; Y257-I260 HydrophobicContact CE1-CD1 4.28Å; Y257-I260 PolarHBondContact O-N 2.94Å; Y257-Y261 HydrophobicContact CD1-CD2 4.09Å; Y257-Y261 AromaticContact CD1-CE2 3.52Å; Y257-Y261 HydrophobicContact CD1-CE2 3.52Å; Y257-Y261 HydrophobicContact CE1-CE2 4.12Å; Y257-Y261 HydrophobicContact CG-CE2 4.42Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.46Å; Y257-Y261 PolarHBondContact O-N 3.32Å
258A70.5Confident70.8Confident13 Ų1377.8 Ų77.811%0.10739%0.39CS..Hα-helixtrans-59.6-38.6176.600000111.6F224 C254 L255 F280F224-A258 HydrophobicContact CD2-CB 3.92Å; F224-A258 HydrophobicContact CE2-CB 3.52Å; F224-A258 HydrophobicContact CZ-CB 4.11Å; C254-A258 PolarHBondContact O-N 3.32Å; L255-A258 WeakPolarHBondContact O-CB 3.1Å; L255-A258 PolarHBondContact O-N 3.16Å; L255-A258 VanDerWaalsContact O-N 3.16Å; A258-F280 HydrophobicContact CB-CD2 4.14Å; A258-F280 HydrophobicContact CB-CE2 3.68Å; A258-F280 HydrophobicContact CB-CZ 4.28Å; A258-F280 WeakPolarHBondContact O-CE2 3.2Å
259N71.4Confident70.5Confident42 Ų4278.1 Ų78.123%0.22539%0.389CS..Hα-helixtrans-73.3-30.9-179.7-72.6-4.3000113.8L255 A256 Y257 D278L255-N259 PolarHBondContact O-N 3.48Å; L255-N259 VanDerWaalsContact O-N 3.12Å; A256-N259 PolarHBondContact O-N 3.41Å; Y257-N259 PolarHBondContact O-N 2.81Å; N259-D278 PolarHBondContact ND2-OD1 3.04Å; N259-D278 VanDerWaalsContact ND2-OD1 3.08Å
260I72.3Confident70.3Confident107 Ų10772.5 Ų72.555%0.54936%0.364SS..Hα-helixtrans-90.8-12.3-178.768.2170.4000114.8A256 Y257A256-I260 PolarHBondContact O-N 2.68Å; Y257-I260 HydrophobicContact CD1-CD1 3.9Å; Y257-I260 HydrophobicContact CD1-CG1 4.34Å; Y257-I260 HydrophobicContact CE1-CD1 4.28Å; Y257-I260 PolarHBondContact O-N 2.94Å
261Y69.9Low70.4Confident119 Ų11973.5 Ų73.547%0.46738%0.376SS..  trans-110.134.3179.7-70.6-55.3000112.7Y257 E263 W264Y257-Y261 HydrophobicContact CD1-CD2 4.09Å; Y257-Y261 AromaticContact CD1-CE2 3.52Å; Y257-Y261 HydrophobicContact CD1-CE2 3.52Å; Y257-Y261 HydrophobicContact CE1-CE2 4.12Å; Y257-Y261 HydrophobicContact CG-CE2 4.42Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.46Å; Y257-Y261 PolarHBondContact O-N 3.32Å; Y261-E263 VanDerWaalsContact CA-OE2 3.28Å; Y261-E263 WeakPolarHBondContact CA-OE2 3.32Å; Y261-E263 PolarHBondContact O-N 2.92Å; Y261-E263 VanDerWaalsContact O-N 3.14Å; Y261-W264 PolarHBondContact O-N 3.19Å; Y261-W264 VanDerWaalsContact O-N 3.12Å
262A68.4Low70.3Confident2 Ų276.6 Ų76.62%0.01739%0.388CS..G310 helixtrans-59.4-25.8-17700000113.2W264 L265 I270 A273 P279A262-W264 PolarHBondContact O-N 3.06Å; A262-W264 VanDerWaalsContact O-N 3.15Å; A262-L265 HydrophobicContact CB-CD1 4.37Å; A262-L265 WeakPolarHBondContact O-CB 3.25Å; A262-L265 PolarHBondContact O-N 2.99Å; A262-L265 VanDerWaalsContact O-N 3.07Å; A262-I270 VanDerWaalsContact O-CG1 3.27Å; A262-I270 WeakPolarHBondContact O-CG1 3.3Å; A262-A273 HydrophobicContact CB-CB 3.51Å; A262-P279 HydrophobicContact CB-CB 3.99Å; A262-P279 HydrophobicContact CB-CG 3.49Å; A262-P279 VanDerWaalsContact CB-CG 3.49Å
263E66.1Low70.1Confident107 Ų10772.6 Ų72.650%0.538%0.384SS..G310 helixtrans-63.7-13.2177.572.8-81.9-167.400114.3Y261Y261-E263 VanDerWaalsContact CA-OE2 3.28Å; Y261-E263 WeakPolarHBondContact CA-OE2 3.32Å; Y261-E263 PolarHBondContact O-N 2.92Å; Y261-E263 VanDerWaalsContact O-N 3.14Å
264W60.5Low70.1Confident208 Ų20876 Ų7679%0.78839%0.394SS*.G310 helixtrans-98.75.9175.8-64.885.2000113.5Y261 A262Y261-W264 PolarHBondContact O-N 3.19Å; Y261-W264 VanDerWaalsContact O-N 3.12Å; A262-W264 PolarHBondContact O-N 3.06Å; A262-W264 VanDerWaalsContact O-N 3.15Å
265L65.4Low70Confident56 Ų5678.6 Ų78.629%0.29341%0.405SS..SBendtrans-99.7-174.7-177.6-55.3175.3000111.5A262 K269 I270 P279 F280A262-L265 HydrophobicContact CB-CD1 4.37Å; A262-L265 WeakPolarHBondContact O-CB 3.25Å; A262-L265 PolarHBondContact O-N 2.99Å; A262-L265 VanDerWaalsContact O-N 3.07Å; L265-K269 HydrophobicContact CB-CB 3.63Å; L265-K269 HydrophobicContact CB-CD 4.11Å; L265-K269 HydrophobicContact CB-CG 4.43Å; L265-K269 HydrophobicContact CD1-CB 3.89Å; L265-K269 HydrophobicContact CD1-CD 3.8Å; L265-K269 HydrophobicContact CD1-CG 4.47Å; L265-K269 HydrophobicContact CG-CB 4.43Å; L265-K269 HydrophobicContact CG-CD 4.46Å; L265-I270 VanDerWaalsContact O-CD1 3.32Å; L265-I270 WeakPolarHBondContact O-CD1 3.38Å; L265-P279 HydrophobicContact CD1-CB 4.26Å; L265-F280 HydrophobicContact CD1-CD2 4.28Å; L265-F280 HydrophobicContact CD1-CE1 4.49Å; L265-F280 HydrophobicContact CD1-CE2 3.32Å; L265-F280 HydrophobicContact CD1-CZ 3.46Å; L265-F280 VanDerWaalsContact CD1-CZ 3.46Å; L265-F280 HydrophobicContact CD2-CE2 4.4Å; L265-F280 HydrophobicContact CD2-CZ 3.81Å; L265-F280 HydrophobicContact CG-CE2 4.5Å; L265-F280 HydrophobicContact CG-CZ 4.3Å
266S67.2Low69.7Low75 Ų7584.9 Ų84.952%0.52445%0.446SS..  trans-63.4154.9174.459.90000111.8G268 K269 I270S266-G268 PolarHBondContact O-N 3.15Å; S266-G268 VanDerWaalsContact O-N 3.09Å; S266-K269 WeakPolarHBondContact O-CA 3.3Å; S266-K269 PolarHBondContact O-N 2.76Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 2.77Å
267E66.3Low69.4Low172 Ų17286.8 Ų86.880%0.80445%0.449SS*.Hα-helixtrans-52.1-37.3-178.7-67.9-173.916500113.3K269 I270 A271E267-K269 VanDerWaalsContact C-N 3.34Å; E267-K269 PolarHBondContact O-N 3.28Å; E267-I270 PolarHBondContact O-N 3.37Å; E267-A271 VanDerWaalsContact O-CB 3.32Å; E267-A271 WeakPolarHBondContact O-CB 3.38Å; E267-A271 PolarHBondContact O-N 3.38Å
268G69.2Low69.3Low51 Ų5183.3 Ų83.353%0.52644%0.439SS..Hα-helixtrans-62.6-37174.900000113.4S266 R272S266-G268 PolarHBondContact O-N 3.15Å; S266-G268 VanDerWaalsContact O-N 3.09Å; G268-R272 WeakPolarHBondContact O-CG 2.95Å; G268-R272 PolarHBondContact O-N 3.34Å
269K69.5Low69Low23 Ų2383 Ų8310%0.144%0.435CS..Hα-helixtrans-78.4-35.8175.4-68.6-167.4179.8176.30112.2D225 E228 L265 S266 E267 A271 R272 A273 F280D225-K269 IonicContact OD1-NZ 2.99Å; E228-K269 WeakPolarHBondContact OE2-CE 3.4Å; E228-K269 IonicContact OE2-NZ 2.77Å; E228-K269 PolarHBondContact OE2-NZ 2.83Å; L265-K269 HydrophobicContact CB-CB 3.63Å; L265-K269 HydrophobicContact CB-CD 4.11Å; L265-K269 HydrophobicContact CB-CG 4.43Å; L265-K269 HydrophobicContact CD1-CB 3.89Å; L265-K269 HydrophobicContact CD1-CD 3.8Å; L265-K269 HydrophobicContact CD1-CG 4.47Å; L265-K269 HydrophobicContact CG-CB 4.43Å; L265-K269 HydrophobicContact CG-CD 4.46Å; S266-K269 WeakPolarHBondContact O-CA 3.3Å; S266-K269 PolarHBondContact O-N 2.76Å; E267-K269 VanDerWaalsContact C-N 3.34Å; E267-K269 PolarHBondContact O-N 3.28Å; K269-A271 VanDerWaalsContact C-N 3.31Å; K269-A271 PolarHBondContact O-N 2.83Å; K269-R272 WeakPolarHBondContact O-CB 3.13Å; K269-R272 PolarHBondContact O-N 3.09Å; K269-A273 PolarHBondContact O-N 2.89Å; K269-F280 HydrophobicContact CD-CD1 4.3Å; K269-F280 HydrophobicContact CD-CE1 4.08Å; K269-F280 HydrophobicContact CD-CZ 4.28Å
270I68.2Low68.9Low50 Ų5081.2 Ų81.226%0.25643%0.426SS..Hα-helixtrans-58.7-45.8170.6-64.3176.4000109.8A262 L265 S266 E267 R272 A273 F274A262-I270 VanDerWaalsContact O-CG1 3.27Å; A262-I270 WeakPolarHBondContact O-CG1 3.3Å; L265-I270 VanDerWaalsContact O-CD1 3.32Å; L265-I270 WeakPolarHBondContact O-CD1 3.38Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 2.77Å; E267-I270 PolarHBondContact O-N 3.37Å; I270-R272 PolarHBondContact O-N 2.77Å; I270-A273 VanDerWaalsContact O-CB 3.26Å; I270-A273 WeakPolarHBondContact O-CB 3.41Å; I270-A273 PolarHBondContact O-N 2.89Å; I270-F274 HydrophobicContact CG2-CE2 3.86Å; I270-F274 WeakPolarHBondContact O-CD2 3.19Å
271A73.6Confident68.7Low57 Ų5778.8 Ų78.847%0.47141%0.414SS..Hα-helixtrans-59.3-35.1178.200000112.3E267 K269 A273 F274E267-A271 VanDerWaalsContact O-CB 3.32Å; E267-A271 WeakPolarHBondContact O-CB 3.38Å; E267-A271 PolarHBondContact O-N 3.38Å; K269-A271 VanDerWaalsContact C-N 3.31Å; K269-A271 PolarHBondContact O-N 2.83Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 3.27Å; A271-F274 PolarHBondContact O-N 2.65Å
272R73.3Confident68.5Low66 Ų6673.1 Ų73.125%0.24939%0.392CS..Hα-helixtrans-66.9-27174.4-70.9177.970.2161.25.8113.3G268 K269 I270 F274 I275 D278G268-R272 WeakPolarHBondContact O-CG 2.95Å; G268-R272 PolarHBondContact O-N 3.34Å; K269-R272 WeakPolarHBondContact O-CB 3.13Å; K269-R272 PolarHBondContact O-N 3.09Å; I270-R272 PolarHBondContact O-N 2.77Å; R272-F274 VanDerWaalsContact C-N 3.25Å; R272-F274 PolarHBondContact O-N 3.04Å; R272-I275 WeakPolarHBondContact O-CG1 3.29Å; R272-I275 PolarHBondContact O-N 2.86Å; R272-D278 PolarHBondContact NE-O 2.81Å; R272-D278 PolarHBondContact NH2-O 3.44Å
273A69.5Low68Low53 Ų5373.8 Ų73.844%0.43840%0.398SS..Hα-helixtrans-69.8-21.7178.100000113.8A262 K269 I270 A271 I275A262-A273 HydrophobicContact CB-CB 3.51Å; K269-A273 PolarHBondContact O-N 2.89Å; I270-A273 VanDerWaalsContact O-CB 3.26Å; I270-A273 WeakPolarHBondContact O-CB 3.41Å; I270-A273 PolarHBondContact O-N 2.89Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 3.27Å; A273-I275 VanDerWaalsContact C-N 3.34Å
274F72.2Confident67.5Low177 Ų17773.3 Ų73.378%0.77640%0.403SS*.THydrogen-bonded Turntrans-83.4-11.7177.3-68.5-75000113.4I270 A271 R272I270-F274 HydrophobicContact CG2-CE2 3.86Å; I270-F274 WeakPolarHBondContact O-CD2 3.19Å; A271-F274 PolarHBondContact O-N 2.65Å; R272-F274 VanDerWaalsContact C-N 3.25Å; R272-F274 PolarHBondContact O-N 3.04Å
275I74.7Confident67.3Low83 Ų8364.7 Ų64.743%0.42637%0.373SS..THydrogen-bonded Turntrans-106.2155.217056174.2000108.3R272 A273 D277R272-I275 WeakPolarHBondContact O-CG1 3.29Å; R272-I275 PolarHBondContact O-N 2.86Å; A273-I275 VanDerWaalsContact C-N 3.34Å; I275-D277 HydrophobicContact CD1-CB 4.07Å; I275-D277 HydrophobicContact CG1-CB 4.11Å; I275-D277 PolarHBondContact O-N 3.04Å
276P68.4Low66.7Low135 Ų13566.3 Ų66.388%0.87738%0.376SS*.THydrogen-bonded Turntrans-74.535.7-179.533-37.1000113
277D69Low65.7Low96 Ų9673 Ų7351%0.51339%0.391SS..SBendtrans-110.4143176.3-70.4-21.1000109.7I275I275-D277 HydrophobicContact CD1-CB 4.07Å; I275-D277 HydrophobicContact CG1-CB 4.11Å; I275-D277 PolarHBondContact O-N 3.04Å
278D70.1Confident65Low57 Ų5768.5 Ų68.531%0.30537%0.37SS..  trans-60.1139.1176.2-71.1-63.9000111N259 R272 F280 G283N259-D278 PolarHBondContact ND2-OD1 3.04Å; N259-D278 VanDerWaalsContact ND2-OD1 3.08Å; R272-D278 PolarHBondContact NE-O 2.81Å; R272-D278 PolarHBondContact NH2-O 3.44Å; D278-F280 PolarHBondContact O-N 2.86Å; D278-G283 VanDerWaalsContact OD2-CA 3.26Å; D278-G283 WeakPolarHBondContact OD2-CA 3.29Å
279P64.5Low64.2Low6 Ų666.2 Ų66.24%0.03935%0.346CS..SBendtrans-62-27.5178.4-20.529.3000113.5A262 L265A262-P279 HydrophobicContact CB-CB 3.99Å; A262-P279 HydrophobicContact CB-CG 3.49Å; A262-P279 VanDerWaalsContact CB-CG 3.49Å; L265-P279 HydrophobicContact CD1-CB 4.26Å
280F69.2Low63.6Low5 Ų568 Ų682%0.02236%0.358CS..SBendtrans-116.7147.8179.5-63.2-96.6000111.4F224 A258 L265 K269 D278 H282 G283F224-F280 HydrophobicContact CB-CD1 4.38Å; F224-F280 HydrophobicContact CB-CE1 3.97Å; A258-F280 HydrophobicContact CB-CD2 4.14Å; A258-F280 HydrophobicContact CB-CE2 3.68Å; A258-F280 HydrophobicContact CB-CZ 4.28Å; A258-F280 WeakPolarHBondContact O-CE2 3.2Å; L265-F280 HydrophobicContact CD1-CD2 4.28Å; L265-F280 HydrophobicContact CD1-CE1 4.49Å; L265-F280 HydrophobicContact CD1-CE2 3.32Å; L265-F280 HydrophobicContact CD1-CZ 3.46Å; L265-F280 VanDerWaalsContact CD1-CZ 3.46Å; L265-F280 HydrophobicContact CD2-CE2 4.4Å; L265-F280 HydrophobicContact CD2-CZ 3.81Å; L265-F280 HydrophobicContact CG-CE2 4.5Å; L265-F280 HydrophobicContact CG-CZ 4.3Å; K269-F280 HydrophobicContact CD-CD1 4.3Å; K269-F280 HydrophobicContact CD-CE1 4.08Å; K269-F280 HydrophobicContact CD-CZ 4.28Å; D278-F280 PolarHBondContact O-N 2.86Å; F280-H282 WeakPolarHBondContact CB-CE1 3.44Å; F280-H282 WeakPolarHBondContact CB-ND1 3.37Å; F280-H282 AromaticContact CD1-CE1 3.71Å; F280-H282 AromaticContact CD2-CE1 3.61Å; F280-H282 AromaticContact CG-CE1 3.23Å; F280-H282 WeakPolarHBondContact CG-CE1 3.36Å; F280-H282 AromaticContact CG-ND1 3.74Å; F280-H282 PolarHBondContact O-N 2.77Å; F280-H282 VanDerWaalsContact O-N 3.14Å; F280-G283 PolarHBondContact O-N 3.18Å; F280-G283 VanDerWaalsContact O-N 3.14Å
281L68Low63Low56 Ų5666.8 Ų66.829%0.29335%0.351SS..Hα-helixtrans-56.5-29.4175.1-89.1110.4000113.6E228 G283 T284 V285E228-L281 HydrophobicContact CG-CB 4.42Å; E228-L281 HydrophobicContact CG-CD1 3.62Å; L281-G283 PolarHBondContact O-N 3.47Å; L281-T284 PolarHBondContact O-N 3.14Å; L281-T284 VanDerWaalsContact O-N 3.1Å; L281-V285 VanDerWaalsContact O-CG2 3.29Å; L281-V285 WeakPolarHBondContact O-CG2 3.09Å; L281-V285 PolarHBondContact O-N 3.38Å
282H65.1Low62Low1 Ų164.6 Ų64.61%0.00533%0.333CS..Hα-helixtrans-66.9-18.4-178.863.5-112.8000113.8L255 F280 V285 Y286 L289L255-H282 VanDerWaalsContact CD2-CD2 3.44Å; L255-H282 WeakPolarHBondContact CD2-CD2 3.38Å; L255-H282 WeakPolarHBondContact CD2-NE2 3.49Å; F280-H282 WeakPolarHBondContact CB-CE1 3.44Å; F280-H282 WeakPolarHBondContact CB-ND1 3.37Å; F280-H282 AromaticContact CD1-CE1 3.71Å; F280-H282 AromaticContact CD2-CE1 3.61Å; F280-H282 AromaticContact CG-CE1 3.23Å; F280-H282 WeakPolarHBondContact CG-CE1 3.36Å; F280-H282 AromaticContact CG-ND1 3.74Å; F280-H282 PolarHBondContact O-N 2.77Å; F280-H282 VanDerWaalsContact O-N 3.14Å; H282-V285 CarbonylContact O-C 3.53Å; H282-Y286 VanDerWaalsContact O-CA 3.31Å; H282-Y286 WeakPolarHBondContact O-CA 3.42Å; H282-Y286 PolarHBondContact O-N 3.14Å; H282-L289 HydrophobicContact CB-CD1 3.74Å
283G59Low60.7Low15 Ų1564.9 Ų64.916%0.15536%0.356CS..Hα-helixtrans-66.3-41.7171.100000111.5D278 F280 L281 Y286D278-G283 VanDerWaalsContact OD2-CA 3.26Å; D278-G283 WeakPolarHBondContact OD2-CA 3.29Å; F280-G283 PolarHBondContact O-N 3.18Å; F280-G283 VanDerWaalsContact O-N 3.14Å; L281-G283 PolarHBondContact O-N 3.47Å; G283-Y286 WeakPolarHBondContact O-CB 3.19Å
284T55.3Low59.7Low97 Ų9767 Ų6760%0.59537%0.368SS*.Hα-helixtrans-72.5-34.9174-33.10000112.3L281 Y286L281-T284 PolarHBondContact O-N 3.14Å; L281-T284 VanDerWaalsContact O-N 3.1Å; T284-Y286 VanDerWaalsContact C-N 3.34Å
285V56.3Low58.7Low28 Ų2859.2 Ų59.217%0.1734%0.335CS..THydrogen-bonded Turntrans-95.313.2-176.4-1680000112.2F231 L281 H282 Y287 Q288 L289F231-V285 HydrophobicContact CD1-CB 4.4Å; F231-V285 HydrophobicContact CD1-CG1 3.59Å; F231-V285 HydrophobicContact CD2-CB 4.46Å; F231-V285 HydrophobicContact CD2-CG1 4.37Å; F231-V285 HydrophobicContact CE1-CB 4.39Å; F231-V285 HydrophobicContact CE1-CG1 3.37Å; F231-V285 HydrophobicContact CE2-CB 4.46Å; F231-V285 HydrophobicContact CE2-CG1 4.2Å; F231-V285 HydrophobicContact CG-CB 4.45Å; F231-V285 HydrophobicContact CG-CG1 4.11Å; F231-V285 HydrophobicContact CG-CG2 4.44Å; F231-V285 HydrophobicContact CZ-CB 4.43Å; F231-V285 HydrophobicContact CZ-CG1 3.71Å; L281-V285 VanDerWaalsContact O-CG2 3.29Å; L281-V285 WeakPolarHBondContact O-CG2 3.09Å; L281-V285 PolarHBondContact O-N 3.38Å; H282-V285 CarbonylContact O-C 3.53Å; V285-Y287 PolarHBondContact O-N 3.35Å; V285-Q288 HydrophobicContact CG1-CB 3.68Å; V285-Q288 HydrophobicContact CG1-CG 3.75Å; V285-Q288 PolarHBondContact O-N 2.63Å; V285-L289 PolarHBondContact O-N 3.14Å
286Y52.3Low57.7Low90 Ų9057.2 Ų57.235%0.35333%0.328SS..THydrogen-bonded Turntrans-53.9-33-178.2-171.6-92.4000112.5H282 G283 T284 Q288 L289 F291H282-Y286 VanDerWaalsContact O-CA 3.31Å; H282-Y286 WeakPolarHBondContact O-CA 3.42Å; H282-Y286 PolarHBondContact O-N 3.14Å; G283-Y286 WeakPolarHBondContact O-CB 3.19Å; T284-Y286 VanDerWaalsContact C-N 3.34Å; Y286-Q288 VanDerWaalsContact C-N 3.3Å; Y286-Q288 PolarHBondContact O-N 3.49Å; Y286-L289 PolarHBondContact O-N 3.21Å; Y286-L289 VanDerWaalsContact O-O 3.1Å; Y286-F291 HydrophobicContact CD2-CE2 4.23Å; Y286-F291 HydrophobicContact CD2-CZ 4.33Å; Y286-F291 HydrophobicContact CE1-CE2 4.07Å; Y286-F291 AromaticContact CE2-CE2 3.48Å; Y286-F291 HydrophobicContact CE2-CE2 3.48Å; Y286-F291 VanDerWaalsContact CE2-CE2 3.48Å; Y286-F291 AromaticContact CE2-CZ 3.64Å; Y286-F291 HydrophobicContact CE2-CZ 3.64Å; Y286-F291 AromaticContact CZ-CE2 3.38Å; Y286-F291 WeakPolarHBondContact OH-CE2 3.26Å
287Y46.5Very low56.9Low215 Ų21561.5 Ų61.584%0.84333%0.327SS*.THydrogen-bonded Turntrans-69.1-23177.8-62-75.3000114.4V285V285-Y287 PolarHBondContact O-N 3.35Å
288Q52Low56.6Low78 Ų7864 Ų6436%0.36434%0.335SS..THydrogen-bonded Turntrans-82.8-27.5172.1-62.2-176.1-8.700111.4V244 V285 Y286 V290V244-Q288 CarbonylContact O-C 3.54Å; V285-Q288 HydrophobicContact CG1-CB 3.68Å; V285-Q288 HydrophobicContact CG1-CG 3.75Å; V285-Q288 PolarHBondContact O-N 2.63Å; Y286-Q288 VanDerWaalsContact C-N 3.3Å; Y286-Q288 PolarHBondContact O-N 3.49Å; Q288-V290 PolarHBondContact O-N 3.08Å
289L52.2Low56.8Low3 Ų362.6 Ų62.62%0.01633%0.327CS..  trans-80.693.9177.3-87147.8000111.8L227 F231 V244 L246 H282 V285 Y286 F291L227-L289 HydrophobicContact CD1-CD2 4.33Å; L227-L289 HydrophobicContact CD2-CD2 4.08Å; F231-L289 HydrophobicContact CE2-CD1 3.73Å; F231-L289 HydrophobicContact CE2-CG 4.3Å; F231-L289 HydrophobicContact CZ-CD1 3.93Å; F231-L289 HydrophobicContact CZ-CG 4.05Å; V244-L289 WeakPolarHBondContact O-CA 3.43Å; L246-L289 HydrophobicContact CB-CD2 3.33Å; L246-L289 HydrophobicContact CD2-CD2 4.41Å; L246-L289 HydrophobicContact CG-CD2 4.49Å; H282-L289 HydrophobicContact CB-CD1 3.74Å; V285-L289 PolarHBondContact O-N 3.14Å; Y286-L289 PolarHBondContact O-N 3.21Å; Y286-L289 VanDerWaalsContact O-O 3.1Å; L289-F291 WeakPolarHBondContact O-CE2 3.45Å
290V56.5Low57.5Low59 Ų5970.2 Ų70.236%0.35836%0.36SS..BIsolated β-bridgetrans-87.8125.4177.1-179.60000111F245 Q288 I295F245-V290 HydrophobicContact CD1-CB 3.69Å; F245-V290 HydrophobicContact CD1-CG1 4.39Å; F245-V290 HydrophobicContact CD1-CG2 4.41Å; F245-V290 HydrophobicContact CE1-CB 3.78Å; F245-V290 HydrophobicContact CE1-CG1 4.33Å; F245-V290 HydrophobicContact CE1-CG2 4.1Å; Q288-V290 PolarHBondContact O-N 3.08Å; V290-I295 HydrophobicContact CG1-CD1 3.88Å
291F55.3Low58.3Low26 Ų2673.4 Ų73.411%0.11438%0.383CS..  trans-92.6131.5176.5-54.3-88.8000111.1L246 A251 R252 L255 Y286 L289L246-F291 HydrophobicContact CD2-CE1 4.49Å; A251-F291 HydrophobicContact CB-CD1 3.67Å; A251-F291 HydrophobicContact CB-CE1 3.66Å; R252-F291 HydrophobicContact CB-CD1 4.4Å; R252-F291 HydrophobicContact CB-CE1 4.35Å; R252-F291 HydrophobicContact CG-CB 4.07Å; R252-F291 HydrophobicContact CG-CD1 3.45Å; R252-F291 VanDerWaalsContact CG-CD1 3.45Å; R252-F291 HydrophobicContact CG-CD2 3.53Å; R252-F291 HydrophobicContact CG-CE1 3.68Å; R252-F291 HydrophobicContact CG-CE2 3.79Å; R252-F291 HydrophobicContact CG-CG 3.36Å; R252-F291 HydrophobicContact CG-CZ 3.86Å; L255-F291 HydrophobicContact CD1-CE1 3.57Å; L255-F291 HydrophobicContact CD1-CZ 3.36Å; Y286-F291 HydrophobicContact CD2-CE2 4.23Å; Y286-F291 HydrophobicContact CD2-CZ 4.33Å; Y286-F291 HydrophobicContact CE1-CE2 4.07Å; Y286-F291 AromaticContact CE2-CE2 3.48Å; Y286-F291 HydrophobicContact CE2-CE2 3.48Å; Y286-F291 VanDerWaalsContact CE2-CE2 3.48Å; Y286-F291 AromaticContact CE2-CZ 3.64Å; Y286-F291 HydrophobicContact CE2-CZ 3.64Å; Y286-F291 AromaticContact CZ-CE2 3.38Å; Y286-F291 WeakPolarHBondContact OH-CE2 3.26Å; L289-F291 WeakPolarHBondContact O-CE2 3.45Å
292A51.7Low59.3Low10 Ų1072.6 Ų72.68%0.08338%0.381CS..  trans-133.774.3-139.200000112.1V247 S294 I295V247-A292 HydrophobicContact CB-CB 4.19Å; V247-A292 HydrophobicContact CG1-CB 3.84Å; V247-A292 HydrophobicContact CG2-CB 3.74Å; A292-S294 VanDerWaalsContact C-N 3.26Å; A292-S294 PolarHBondContact O-N 3.44Å; A292-I295 HydrophobicContact CB-CB 3.58Å; A292-I295 HydrophobicContact CB-CD1 3.12Å; A292-I295 HydrophobicContact CB-CG1 3.88Å; A292-I295 HydrophobicContact CB-CG2 3.59Å
293G47.8Very low60.4Low72 Ų7272.5 Ų72.574%0.74238%0.381SS*.THydrogen-bonded Turntrans-69.1-16.4-177.700000115.5
294S48.1Very low61.8Low98 Ų9872 Ų7269%0.68537%0.374SS*.THydrogen-bonded Turntrans-138.315.9-166.9-41.10000114.8A292 S296A292-S294 VanDerWaalsContact C-N 3.26Å; A292-S294 PolarHBondContact O-N 3.44Å; S294-S296 PolarHBondContact O-N 3.19Å
295I51.4Low63.3Low14 Ų1467.4 Ų67.47%0.07235%0.346CS..G310 helixtrans-89.72.3-131.2-140.8165.1000119.3F245 V247 V290 A292 R297 E298 I299 F320F245-I295 HydrophobicContact CD1-CD1 4.24Å; F245-I295 HydrophobicContact CE1-CD1 4.36Å; V247-I295 HydrophobicContact CG2-CG2 4.42Å; V290-I295 HydrophobicContact CG1-CD1 3.88Å; A292-I295 HydrophobicContact CB-CB 3.58Å; A292-I295 HydrophobicContact CB-CD1 3.12Å; A292-I295 HydrophobicContact CB-CG1 3.88Å; A292-I295 HydrophobicContact CB-CG2 3.59Å; I295-R297 PolarHBondContact O-N 3.33Å; I295-E298 HydrophobicContact CG1-CB 4.07Å; I295-E298 PolarHBondContact O-N 2.91Å; I295-E298 VanDerWaalsContact O-N 3.13Å; I295-I299 HydrophobicContact CG1-CG1 4.24Å; I295-I299 HydrophobicContact CG2-CD1 3.39Å; I295-I299 HydrophobicContact CG2-CG1 3.88Å; I295-F320 HydrophobicContact CG2-CZ 4.04Å
296S52.6Low64.9Low41 Ų4166.1 Ų66.129%0.28734%0.338SS..G310 helixtrans-64.7-9.2-17569.50000114.7S294 H319S294-S296 PolarHBondContact O-N 3.19Å; S296-H319 WeakPolarHBondContact CB-NE2 3.21Å; S296-H319 PolarHBondContact OG-NE2 3.25Å
297R52.8Low66.5Low225 Ų22561.9 Ų61.985%0.84932%0.322SS*.G310 helixtrans-94.8-20.5177.3-61.6-172.5-168.7-176.93.9114.9I295I295-R297 PolarHBondContact O-N 3.33Å
298E62.8Low68.1Low148 Ų14851.8 Ų51.869%0.69228%0.282SS*.THydrogen-bonded Turntrans-101.3-12.8-174.6-70.6177.6-171.200113.3I295 K300I295-E298 HydrophobicContact CG1-CB 4.07Å; I295-E298 PolarHBondContact O-N 2.91Å; I295-E298 VanDerWaalsContact O-N 3.13Å; E298-K300 PolarHBondContact O-N 3.21Å
299I73.7Confident69.6Low27 Ų2748.9 Ų48.914%0.13827%0.269CS..PPolyproline II helixtrans-71.1122.2179-69176000110F245 I295 C303 V305 F320 W324F245-I299 HydrophobicContact CD1-CG1 4.48Å; F245-I299 HydrophobicContact CD2-CG1 4.46Å; F245-I299 HydrophobicContact CE1-CG1 4.31Å; F245-I299 HydrophobicContact CE2-CG1 4.24Å; F245-I299 HydrophobicContact CE2-CG2 4.17Å; F245-I299 HydrophobicContact CZ-CG1 4.19Å; I295-I299 HydrophobicContact CG1-CG1 4.24Å; I295-I299 HydrophobicContact CG2-CD1 3.39Å; I295-I299 HydrophobicContact CG2-CG1 3.88Å; I299-C303 HydrophobicContact CG2-CB 4.28Å; I299-C303 WeakPolarHBondContact CG2-SG 3.35Å; I299-V305 HydrophobicContact CD1-CG2 4.11Å; I299-F320 HydrophobicContact CD1-CE1 3.35Å; I299-F320 HydrophobicContact CD1-CZ 3.47Å; I299-F320 VanDerWaalsContact CD1-CZ 3.47Å; I299-W324 HydrophobicContact CG2-CZ2 4.13Å
300K78.7Confident70.9Confident166 Ų16648.9 Ų48.972%0.72227%0.269SS*.PPolyproline II helixtrans-95.9136.8172.2-64.8-177.6-179.3178.30109.9E298 C303E298-K300 PolarHBondContact O-N 3.21Å; K300-C303 VanDerWaalsContact O-CB 3.31Å; K300-C303 WeakPolarHBondContact O-CB 3.15Å
301S86.2Confident72Confident72 Ų7246.8 Ų46.850%0.50326%0.257SS..SBendtrans-92.6148.7174.3-61.10000111.6N212N212-S301 VanDerWaalsContact CG-OG 3.25Å; N212-S301 PolarHBondContact ND2-OG 2.8Å; N212-S301 WeakPolarHBondContact OD1-CA 3.32Å; N212-S301 WeakPolarHBondContact OD1-CB 3.47Å; N212-S301 PolarHBondContact OD1-OG 3.3Å
302P89.4Confident73.2Confident39 Ų3945.6 Ų45.625%0.25325%0.252SS..SBendcis-70.9150.3-7.730.7-34.8000111.5L207 G211 V242 P243L207-P302 HydrophobicContact CD2-CB 4.08Å; G211-P302 WeakPolarHBondContact O-CB 3.33Å; V242-P302 HydrophobicContact CG2-CG 4.3Å; P243-P302 WeakPolarHBondContact CD-O 3.04Å
303C88.2Confident74.3Confident0 Ų047 Ų470%026%0.255CS..  trans-149.1162.8175.262.50000112N212 V213 P243 F245 I299 K300 W324N212-C303 CarbonylContact C-O 3.55Å; N212-C303 WeakPolarHBondContact CA-O 3.38Å; N212-C303 PolarHBondContact OD1-N 3.33Å; N212-C303 PolarHBondContact OD1-SG 3.37Å; V213-C303 PolarHBondContact N-O 3.41Å; P243-C303 HydrophobicContact CG-CB 3.91Å; P243-C303 WeakPolarHBondContact O-CA 3.5Å; P243-C303 WeakPolarHBondContact O-CB 3.12Å; F245-C303 HydrophobicContact CD2-CB 4.1Å; F245-C303 HydrophobicContact CE2-CB 3.79Å; I299-C303 HydrophobicContact CG2-CB 4.28Å; I299-C303 WeakPolarHBondContact CG2-SG 3.35Å; K300-C303 VanDerWaalsContact O-CB 3.31Å; K300-C303 WeakPolarHBondContact O-CB 3.15Å; C303-W324 VanDerWaalsContact SG-CH2 3.58Å
304V87.7Confident75.4Confident4 Ų444.6 Ų44.62%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-108.5129.4167.5-174.80000108.5L207 V213 I215 L230 V242 P243 V244 F245 F306L207-V304 HydrophobicContact CD1-CG2 3.88Å; L207-V304 HydrophobicContact CD2-CG2 4.05Å; V213-V304 HydrophobicContact CB-CG1 4.28Å; V213-V304 HydrophobicContact CB-CG2 4.24Å; V213-V304 HydrophobicContact CG1-CG1 4.34Å; V213-V304 CarbonylContact O-C 3.51Å; V213-V304 WeakPolarHBondContact O-CA 3.33Å; I215-V304 HydrophobicContact CD1-CG1 4Å; L230-V304 HydrophobicContact CD2-CB 4.33Å; L230-V304 HydrophobicContact CD2-CG1 3.9Å; L230-V304 HydrophobicContact CD2-CG2 4.42Å; V242-V304 HydrophobicContact CG1-CG2 4.37Å; P243-V304 PolarHBondContact O-N 3.28Å; V244-V304 CarbonylContact C-O 3.54Å; V244-V304 WeakPolarHBondContact CA-O 3.33Å; V244-V304 HydrophobicContact CG1-CB 4.35Å; V244-V304 HydrophobicContact CG2-CB 4.23Å; F245-V304 PolarHBondContact N-O 2.88Å; V304-F306 HydrophobicContact CG1-CD2 4.28Å; V304-F306 HydrophobicContact CG1-CE2 3.89Å
305V88Confident76.6Confident0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-126.5114.6-179.3177.90000109.8V213 L214 I215 F245 V247 I299 A307 F320 W324V213-V305 PolarHBondContact O-N 2.91Å; L214-V305 CarbonylContact C-O 3.16Å; L214-V305 WeakPolarHBondContact CA-O 3.28Å; L214-V305 HydrophobicContact CD1-CB 4.23Å; L214-V305 HydrophobicContact CD1-CG1 4.1Å; I215-V305 PolarHBondContact N-O 2.87Å; F245-V305 HydrophobicContact CB-CG1 4.5Å; F245-V305 HydrophobicContact CB-CG2 4.13Å; F245-V305 HydrophobicContact CD2-CG2 3.94Å; F245-V305 HydrophobicContact CG-CG2 4.38Å; V247-V305 HydrophobicContact CG2-CG1 3.77Å; I299-V305 HydrophobicContact CD1-CG2 4.11Å; V305-A307 HydrophobicContact CG1-CB 4.11Å; V305-F320 HydrophobicContact CG1-CD1 4.42Å; V305-F320 HydrophobicContact CG1-CD2 4.25Å; V305-F320 HydrophobicContact CG1-CE1 4.02Å; V305-F320 HydrophobicContact CG1-CE2 3.83Å; V305-F320 HydrophobicContact CG1-CZ 3.71Å; V305-F320 HydrophobicContact CG2-CE1 4.31Å; V305-W324 HydrophobicContact CB-CH2 4.13Å; V305-W324 HydrophobicContact CB-CZ3 4.22Å; V305-W324 HydrophobicContact CG2-CH2 3.49Å; V305-W324 VanDerWaalsContact CG2-CH2 3.49Å; V305-W324 HydrophobicContact CG2-CZ2 4.48Å; V305-W324 HydrophobicContact CG2-CZ3 4.07Å
306F88.9Confident77.9Confident2 Ų243.2 Ų43.21%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-85.9117.8163.8-69.2-99.7000108.2I215 C217 T223 L226 L227 L230 V244 F245 L246 V247 V304I215-F306 HydrophobicContact CB-CD1 3.84Å; I215-F306 HydrophobicContact CB-CE1 4.08Å; I215-F306 HydrophobicContact CB-CG 4.25Å; I215-F306 HydrophobicContact CD1-CD1 4.24Å; I215-F306 HydrophobicContact CD1-CD2 4.49Å; I215-F306 HydrophobicContact CD1-CE1 3.67Å; I215-F306 HydrophobicContact CD1-CE2 3.93Å; I215-F306 HydrophobicContact CD1-CZ 3.51Å; I215-F306 HydrophobicContact CG1-CE1 4.43Å; I215-F306 HydrophobicContact CG2-CD1 3.82Å; I215-F306 HydrophobicContact CG2-CE1 3.85Å; I215-F306 WeakPolarHBondContact O-CA 3.42Å; C217-F306 HydrophobicContact CB-CD1 4.47Å; T223-F306 HydrophobicContact CG2-CD1 4Å; T223-F306 HydrophobicContact CG2-CE1 4.49Å; L226-F306 HydrophobicContact CB-CE1 3.94Å; L226-F306 HydrophobicContact CB-CZ 4.27Å; L226-F306 HydrophobicContact CD1-CE1 4.38Å; L227-F306 HydrophobicContact CD2-CD2 3.7Å; L227-F306 HydrophobicContact CD2-CE1 4.48Å; L227-F306 HydrophobicContact CD2-CE2 3.43Å; L227-F306 VanDerWaalsContact CD2-CE2 3.43Å; L227-F306 HydrophobicContact CD2-CG 4.34Å; L227-F306 HydrophobicContact CD2-CZ 3.85Å; L227-F306 HydrophobicContact CG-CE1 4.45Å; L227-F306 HydrophobicContact CG-CE2 4.23Å; L227-F306 HydrophobicContact CG-CZ 4.17Å; L230-F306 HydrophobicContact CD2-CE2 3.82Å; L230-F306 HydrophobicContact CD2-CZ 4.23Å; V244-F306 HydrophobicContact CG1-CD2 4.15Å; V244-F306 HydrophobicContact CG1-CE2 3.97Å; F245-F306 PolarHBondContact O-N 3.13Å; L246-F306 HydrophobicContact CD1-CB 3.54Å; L246-F306 HydrophobicContact CD1-CG 4.46Å; V247-F306 PolarHBondContact N-O 3.14Å; V304-F306 HydrophobicContact CG1-CD2 4.28Å; V304-F306 HydrophobicContact CG1-CE2 3.89Å
307A86Confident79.5Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-130.8134.6-175.100000111.9L214 I215 P216 C217 V247 V305 D316 V317 F320L214-A307 HydrophobicContact CD1-CB 4.03Å; I215-A307 PolarHBondContact O-N 3.12Å; P216-A307 WeakPolarHBondContact CA-O 3.31Å; C217-A307 PolarHBondContact N-O 2.78Å; V247-A307 HydrophobicContact CB-CB 4.4Å; V305-A307 HydrophobicContact CG1-CB 4.11Å; A307-D316 HydrophobicContact CB-CB 4.34Å; A307-V317 HydrophobicContact CB-CB 3.89Å; A307-V317 HydrophobicContact CB-CG2 4.25Å; A307-F320 HydrophobicContact CB-CD2 3.88Å; A307-F320 HydrophobicContact CB-CE2 4.11Å
308S80.2Confident80.7Confident3 Ų331 Ų312%0.02117%0.167CC..SBendtrans-64.1133171.3-660000110.2C217 V247 S248 G315 D316 V317C217-S308 VanDerWaalsContact O-CA 3.26Å; C217-S308 WeakPolarHBondContact O-CA 3.49Å; V247-S308 PolarHBondContact O-N 3.22Å; V247-S308 VanDerWaalsContact O-N 3.15Å; S248-S308 VanDerWaalsContact CB-OG 3.25Å; S248-S308 WeakPolarHBondContact CB-OG 3.15Å; S248-S308 PolarHBondContact OG-OG 3.39Å; S308-G315 CarbonylContact O-C 3.56Å; S308-G315 VanDerWaalsContact O-CA 3.24Å; S308-G315 WeakPolarHBondContact O-CA 3.16Å; S308-D316 CarbonylContact O-C 3.53Å; S308-D316 WeakPolarHBondContact O-CA 2.96Å; S308-D316 PolarHBondContact O-N 3.14Å; S308-V317 WeakPolarHBondContact O-CB 3.38Å; S308-V317 WeakPolarHBondContact O-CG1 3.48Å; S308-V317 PolarHBondContact O-N 2.81Å
309H83.6Confident81.4Confident18 Ų1826.3 Ų26.38%0.08315%0.145CC..  cis-136.6150.710179.2-89.9000110.5S311 L312 I314 V317 Y339 F379H309-S311 PolarHBondContact ND1-N 3.06Å; H309-S311 PolarHBondContact ND1-OG 3.21Å; H309-S311 PolarHBondContact O-N 3.41Å; H309-L312 PolarHBondContact O-N 2.81Å; H309-I314 HydrophobicContact CB-CD1 4.47Å; H309-I314 HydrophobicContact CB-CG1 3.79Å; H309-I314 WeakPolarHBondContact CB-O 3.22Å; H309-I314 PolarHBondContact N-O 3.39Å; H309-I314 VanDerWaalsContact N-O 3.15Å; H309-V317 VanDerWaalsContact N-CG1 3.35Å; H309-V317 VanDerWaalsContact O-CG1 3.3Å; H309-V317 WeakPolarHBondContact O-CG1 3.42Å; H309-Y339 AromaticContact CE1-CZ 3.87Å; H309-Y339 PolarHBondContact CE1-OH 3.26Å; H309-Y339 VanDerWaalsContact CE1-OH 3.25Å; H309-F379 AromaticContact CD2-CE2 3.99Å
310P79.8Confident82Confident3 Ų325.3 Ų25.32%0.01914%0.139CC..THydrogen-bonded Turntrans-54.4-24.3-174.120.4-36.1000115.9C217 V218 L312 D336 Y339C217-P310 VanDerWaalsContact C-CD 3.46Å; C217-P310 WeakPolarHBondContact O-CD 3.46Å; V218-P310 HydrophobicContact CG2-CG 4.02Å; P310-L312 PolarHBondContact O-N 2.87Å; P310-D336 HydrophobicContact CB-CB 3.62Å; P310-D336 HydrophobicContact CG-CB 4.24Å; P310-D336 WeakPolarHBondContact CG-OD2 3.36Å; P310-Y339 HydrophobicContact CB-CD2 3.68Å; P310-Y339 HydrophobicContact CB-CE2 3.83Å; P310-Y339 HydrophobicContact CB-CG 4.46Å; P310-Y339 HydrophobicContact CG-CD2 4.03Å; P310-Y339 HydrophobicContact CG-CE2 3.62Å
311S78.8Confident82.4Confident15 Ų1517.4 Ų17.411%0.10511%0.105CC..THydrogen-bonded Turntrans-64.5-16.7175.767.50000115.1H309 R313H309-S311 PolarHBondContact ND1-N 3.06Å; H309-S311 PolarHBondContact ND1-OG 3.21Å; H309-S311 PolarHBondContact O-N 3.41Å; S311-R313 WeakPolarHBondContact O-CG 3.4Å; S311-R313 PolarHBondContact O-N 2.76Å; S311-R313 PolarHBondContact O-NH1 3.43Å; S311-R313 PolarHBondContact OG-N 3.07Å
312L81.4Confident82.1Confident0 Ų015.8 Ų15.80%09%0.092CC..SBendtrans54.418.8-171.7-51.7-178000114.1P216 H309 P310 V317 M321 I332 I334 I344 L345 F348P216-L312 HydrophobicContact CB-CD2 3.69Å; P216-L312 HydrophobicContact CG-CD2 3.48Å; P216-L312 VanDerWaalsContact CG-CD2 3.48Å; H309-L312 PolarHBondContact O-N 2.81Å; P310-L312 PolarHBondContact O-N 2.87Å; L312-V317 HydrophobicContact CD2-CB 4.31Å; L312-V317 HydrophobicContact CD2-CG1 3.76Å; L312-V317 HydrophobicContact CD2-CG2 3.52Å; L312-M321 HydrophobicContact CD1-CE 4.49Å; L312-M321 HydrophobicContact CD2-CG 4.23Å; L312-I332 HydrophobicContact CD1-CD1 4.05Å; L312-I332 HydrophobicContact CD2-CD1 4.18Å; L312-I334 HydrophobicContact CD1-CD1 4.39Å; L312-I344 HydrophobicContact CB-CB 4.41Å; L312-I344 HydrophobicContact CD1-CB 4.1Å; L312-I344 HydrophobicContact CD1-CD1 3.86Å; L312-I344 HydrophobicContact CD1-CG1 3.91Å; L312-I344 HydrophobicContact CG-CB 4.28Å; L312-I344 HydrophobicContact CG-CD1 4.12Å; L312-I344 HydrophobicContact CG-CG1 4.42Å; L312-L345 HydrophobicContact CD1-CD2 3.59Å; L312-L345 HydrophobicContact CD1-CG 4.41Å; L312-F348 HydrophobicContact CB-CE2 3.75Å; L312-F348 HydrophobicContact CB-CZ 4.41Å; L312-F348 WeakPolarHBondContact O-CE2 2.89Å; L312-F348 WeakPolarHBondContact O-CZ 3.41Å
313R73.7Confident81.9Confident39 Ų3918.1 Ų18.115%0.14710%0.101CC..SBendtrans-109-19.4177.3-62.6-60.7178.7-83.10.2112.8S311 D343 I344 V382 F383S311-R313 WeakPolarHBondContact O-CG 3.4Å; S311-R313 PolarHBondContact O-N 2.76Å; S311-R313 PolarHBondContact O-NH1 3.43Å; S311-R313 PolarHBondContact OG-N 3.07Å; R313-D343 PolarHBondContact NH2-O 3.46Å; R313-I344 PolarHBondContact NH1-O 2.77Å; R313-V382 HydrophobicContact CB-CG1 4.42Å; R313-F383 PolarHBondContact O-N 3.06Å
314I71.9Confident82Confident22 Ų2219.3 Ų19.311%0.11311%0.106CC..SBendtrans-145.4165.3-175.561.6177.3000109.9H309 F379 A381 V382H309-I314 HydrophobicContact CB-CD1 4.47Å; H309-I314 HydrophobicContact CB-CG1 3.79Å; H309-I314 WeakPolarHBondContact CB-O 3.22Å; H309-I314 PolarHBondContact N-O 3.39Å; H309-I314 VanDerWaalsContact N-O 3.15Å; I314-F379 HydrophobicContact CD1-CB 4.05Å; I314-F379 HydrophobicContact CD1-CD1 4.04Å; I314-F379 HydrophobicContact CD1-CD2 3.9Å; I314-F379 HydrophobicContact CD1-CE1 4.5Å; I314-F379 HydrophobicContact CD1-CE2 4.36Å; I314-F379 HydrophobicContact CD1-CG 3.72Å; I314-A381 WeakPolarHBondContact CG2-O 3.33Å; I314-V382 HydrophobicContact CG2-CB 4.46Å; I314-V382 HydrophobicContact CG2-CG1 4.47Å; I314-V382 HydrophobicContact CG2-CG2 4.49Å
315G72.3Confident82.1Confident33 Ų3320 Ų2034%0.3411%0.109SC..SBendtrans77.5-178.9-179.400000113.7S308 V317 V318S308-G315 CarbonylContact O-C 3.56Å; S308-G315 VanDerWaalsContact O-CA 3.24Å; S308-G315 WeakPolarHBondContact O-CA 3.16Å; G315-V317 VanDerWaalsContact C-N 3.26Å; G315-V317 PolarHBondContact O-N 2.86Å; G315-V318 PolarHBondContact O-N 2.71Å
316D79Confident82.2Confident51 Ų5124.1 Ų24.127%0.27313%0.131SC..THydrogen-bonded Turntrans-55.9-30.6-177.4-50.8-74000115V247 A307 S308 V318 H319 F320V247-D316 HydrophobicContact CB-CB 4.35Å; V247-D316 HydrophobicContact CG1-CB 3.58Å; A307-D316 HydrophobicContact CB-CB 4.34Å; S308-D316 CarbonylContact O-C 3.53Å; S308-D316 WeakPolarHBondContact O-CA 2.96Å; S308-D316 PolarHBondContact O-N 3.14Å; D316-V318 PolarHBondContact O-N 2.82Å; D316-H319 VanDerWaalsContact O-CB 3.25Å; D316-H319 WeakPolarHBondContact O-CB 3.47Å; D316-H319 PolarHBondContact O-N 2.87Å; D316-F320 VanDerWaalsContact O-CD2 3.32Å; D316-F320 WeakPolarHBondContact O-CD2 3.23Å; D316-F320 PolarHBondContact O-N 3.43Å
317V85.6Confident82.4Confident0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-60.9-31.5-177.775.80000112.4L214 P216 A307 S308 H309 L312 G315 H319 F320 M321L214-V317 HydrophobicContact CD1-CG2 4.2Å; L214-V317 HydrophobicContact CD2-CG2 3.89Å; L214-V317 HydrophobicContact CG-CG2 4.14Å; P216-V317 HydrophobicContact CB-CG2 3.9Å; P216-V317 HydrophobicContact CG-CG2 3.83Å; A307-V317 HydrophobicContact CB-CB 3.89Å; A307-V317 HydrophobicContact CB-CG2 4.25Å; S308-V317 WeakPolarHBondContact O-CB 3.38Å; S308-V317 WeakPolarHBondContact O-CG1 3.48Å; S308-V317 PolarHBondContact O-N 2.81Å; H309-V317 VanDerWaalsContact N-CG1 3.35Å; H309-V317 VanDerWaalsContact O-CG1 3.3Å; H309-V317 WeakPolarHBondContact O-CG1 3.42Å; L312-V317 HydrophobicContact CD2-CB 4.31Å; L312-V317 HydrophobicContact CD2-CG1 3.76Å; L312-V317 HydrophobicContact CD2-CG2 3.52Å; G315-V317 VanDerWaalsContact C-N 3.26Å; G315-V317 PolarHBondContact O-N 2.86Å; V317-H319 PolarHBondContact O-N 2.92Å; V317-F320 PolarHBondContact O-N 3.29Å; V317-M321 HydrophobicContact CG2-CG 4.44Å; V317-M321 WeakPolarHBondContact O-CB 3.43Å; V317-M321 WeakPolarHBondContact O-CG 3.29Å; V317-M321 PolarHBondContact O-N 3.32Å
318V80Confident82.7Confident9 Ų930.8 Ų30.86%0.05517%0.17CC..Hα-helixtrans-62.2-34.4178.9179.70000110.2G315 D316 T322 F348 F426G315-V318 PolarHBondContact O-N 2.71Å; D316-V318 PolarHBondContact O-N 2.82Å; V318-T322 PolarHBondContact O-N 3.07Å; V318-T322 VanDerWaalsContact O-N 3.11Å; V318-T322 PolarHBondContact O-OG1 3.01Å; V318-F348 HydrophobicContact CG1-CZ 4.43Å; V318-F426 HydrophobicContact CG1-CE1 3.73Å; V318-F426 HydrophobicContact CG1-CZ 4.23Å
319H77.6Confident83.1Confident50 Ų5031.9 Ų31.923%0.23118%0.18CC..Hα-helixtrans-67.9-48.4176-170.161.4000111.4S296 D316 V317 M321 T322 I323S296-H319 WeakPolarHBondContact CB-NE2 3.21Å; S296-H319 PolarHBondContact OG-NE2 3.25Å; D316-H319 VanDerWaalsContact O-CB 3.25Å; D316-H319 WeakPolarHBondContact O-CB 3.47Å; D316-H319 PolarHBondContact O-N 2.87Å; V317-H319 PolarHBondContact O-N 2.92Å; H319-M321 PolarHBondContact O-N 3.5Å; H319-T322 WeakPolarHBondContact O-CB 3.33Å; H319-T322 PolarHBondContact O-N 2.76Å; H319-I323 WeakPolarHBondContact NE2-CD1 3.08Å; H319-I323 PolarHBondContact O-N 3.28Å
320F85.5Confident83.6Confident6 Ų631.1 Ų31.13%0.02618%0.176CC..Hα-helixtrans-60.2-44.2176.1-71.8-76000112.2L214 V247 I295 I299 V305 A307 D316 V317 T322 I323 W324L214-F320 HydrophobicContact CD1-CB 3.63Å; L214-F320 HydrophobicContact CD1-CD1 4.49Å; L214-F320 HydrophobicContact CD1-CD2 4.18Å; L214-F320 HydrophobicContact CD1-CG 3.85Å; L214-F320 HydrophobicContact CD2-CB 3.65Å; L214-F320 HydrophobicContact CG-CB 4.3Å; V247-F320 HydrophobicContact CB-CE2 4.38Å; V247-F320 HydrophobicContact CG1-CE2 4.23Å; V247-F320 HydrophobicContact CG2-CE2 4.16Å; V247-F320 HydrophobicContact CG2-CZ 4.18Å; I295-F320 HydrophobicContact CG2-CZ 4.04Å; I299-F320 HydrophobicContact CD1-CE1 3.35Å; I299-F320 HydrophobicContact CD1-CZ 3.47Å; I299-F320 VanDerWaalsContact CD1-CZ 3.47Å; V305-F320 HydrophobicContact CG1-CD1 4.42Å; V305-F320 HydrophobicContact CG1-CD2 4.25Å; V305-F320 HydrophobicContact CG1-CE1 4.02Å; V305-F320 HydrophobicContact CG1-CE2 3.83Å; V305-F320 HydrophobicContact CG1-CZ 3.71Å; V305-F320 HydrophobicContact CG2-CE1 4.31Å; A307-F320 HydrophobicContact CB-CD2 3.88Å; A307-F320 HydrophobicContact CB-CE2 4.11Å; D316-F320 VanDerWaalsContact O-CD2 3.32Å; D316-F320 WeakPolarHBondContact O-CD2 3.23Å; D316-F320 PolarHBondContact O-N 3.43Å; V317-F320 PolarHBondContact O-N 3.29Å; F320-T322 PolarHBondContact O-N 3.38Å; F320-I323 PolarHBondContact O-N 2.78Å; F320-I323 VanDerWaalsContact O-N 3.12Å; F320-W324 HydrophobicContact CD1-CD2 4.1Å; F320-W324 AromaticContact CD1-CE2 3.91Å; F320-W324 HydrophobicContact CD1-CE3 4.16Å; F320-W324 AromaticContact CD1-CH2 3.92Å; F320-W324 HydrophobicContact CD1-CH2 3.92Å; F320-W324 AromaticContact CD1-CZ2 3.84Å; F320-W324 HydrophobicContact CD1-CZ2 3.84Å; F320-W324 HydrophobicContact CD1-CZ3 4.08Å; F320-W324 HydrophobicContact CE1-CH2 4.12Å; F320-W324 HydrophobicContact CE1-CZ2 4.01Å; F320-W324 VanDerWaalsContact O-CB 3.29Å; F320-W324 WeakPolarHBondContact O-CB 3.44Å; F320-W324 PolarHBondContact O-N 3.06Å
321M86.1Confident84Confident0 Ų031.1 Ų31.10%018%0.176CC..Hα-helixtrans-57.5-35.8174-75.8-61.5-67.100112.1L214 L312 V317 H319 I323 K325 I332 L345 F348 M351 M353L214-M321 HydrophobicContact CD2-CG 4.15Å; L214-M321 HydrophobicContact CD2-SD 3.95Å; L312-M321 HydrophobicContact CD1-CE 4.49Å; L312-M321 HydrophobicContact CD2-CG 4.23Å; V317-M321 HydrophobicContact CG2-CG 4.44Å; V317-M321 WeakPolarHBondContact O-CB 3.43Å; V317-M321 WeakPolarHBondContact O-CG 3.29Å; V317-M321 PolarHBondContact O-N 3.32Å; H319-M321 PolarHBondContact O-N 3.5Å; M321-I323 VanDerWaalsContact C-N 3.34Å; M321-I323 PolarHBondContact O-N 3.43Å; M321-K325 WeakPolarHBondContact O-CB 3.35Å; M321-K325 WeakPolarHBondContact O-CD 3.5Å; M321-K325 WeakPolarHBondContact O-CG 3.4Å; M321-K325 PolarHBondContact O-N 2.92Å; M321-I332 HydrophobicContact CE-CD1 4.41Å; M321-I332 HydrophobicContact SD-CD1 3.5Å; M321-I332 VanDerWaalsContact SD-CD1 3.5Å; M321-L345 HydrophobicContact CE-CD2 3.89Å; M321-F348 HydrophobicContact CB-CD1 3.64Å; M321-F348 HydrophobicContact CB-CE1 3.37Å; M321-F348 HydrophobicContact CB-CE2 4.46Å; M321-F348 HydrophobicContact CB-CG 4.28Å; M321-F348 HydrophobicContact CB-CZ 3.83Å; M321-F348 HydrophobicContact CE-CB 3.62Å; M321-F348 HydrophobicContact CE-CD1 3.94Å; M321-F348 HydrophobicContact CE-CD2 3.64Å; M321-F348 HydrophobicContact CE-CE2 4.29Å; M321-F348 HydrophobicContact CE-CG 3.43Å; M321-F348 VanDerWaalsContact CE-CG 3.43Å; M321-F348 HydrophobicContact CG-CD1 4.41Å; M321-F348 HydrophobicContact CG-CE1 4.16Å; M321-F348 HydrophobicContact CG-CE2 4.41Å; M321-F348 HydrophobicContact CG-CZ 4.15Å; M321-M351 HydrophobicContact CE-CE 4.01Å; M321-M351 HydrophobicContact CE-SD 4.45Å; M321-M353 HydrophobicContact CE-SD 4.49Å; M321-M353 HydrophobicContact SD-SD 4.11Å
322T80.9Confident84.6Confident38 Ų3830.4 Ų30.423%0.23317%0.171CC..Hα-helixtrans-68.7-34.2179.3-56.40000112.5V318 H319 F320V318-T322 PolarHBondContact O-N 3.07Å; V318-T322 VanDerWaalsContact O-N 3.11Å; V318-T322 PolarHBondContact O-OG1 3.01Å; H319-T322 WeakPolarHBondContact O-CB 3.33Å; H319-T322 PolarHBondContact O-N 2.76Å; F320-T322 PolarHBondContact O-N 3.38Å
323I84Confident84.8Confident88 Ų8830.5 Ų30.545%0.45117%0.171SC..Hα-helixtrans-94.2-33.2-174.6-55.3171.7000111.8H319 F320 M321H319-I323 WeakPolarHBondContact NE2-CD1 3.08Å; H319-I323 PolarHBondContact O-N 3.28Å; F320-I323 PolarHBondContact O-N 2.78Å; F320-I323 VanDerWaalsContact O-N 3.12Å; M321-I323 VanDerWaalsContact C-N 3.34Å; M321-I323 PolarHBondContact O-N 3.43Å
324W90.4Very high85.2Confident25 Ų2529 Ų2910%0.09517%0.166CC..Hα-helixtrans-100.8-16.8-169.1-68.8-1.2000114.7N212 L214 I299 C303 V305 F320 D326 D327 N330N212-W324 HydrophobicContact CB-CD2 4.22Å; N212-W324 HydrophobicContact CB-CE3 3.83Å; N212-W324 HydrophobicContact CB-CH2 3.47Å; N212-W324 VanDerWaalsContact CB-CH2 3.47Å; N212-W324 HydrophobicContact CB-CZ2 3.9Å; N212-W324 HydrophobicContact CB-CZ3 3.45Å; N212-W324 VanDerWaalsContact CB-CZ3 3.45Å; L214-W324 HydrophobicContact CB-CE3 4.07Å; L214-W324 HydrophobicContact CB-CZ3 4.13Å; L214-W324 HydrophobicContact CD1-CZ3 4.38Å; I299-W324 HydrophobicContact CG2-CZ2 4.13Å; C303-W324 VanDerWaalsContact SG-CH2 3.58Å; V305-W324 HydrophobicContact CB-CH2 4.13Å; V305-W324 HydrophobicContact CB-CZ3 4.22Å; V305-W324 HydrophobicContact CG2-CH2 3.49Å; V305-W324 VanDerWaalsContact CG2-CH2 3.49Å; V305-W324 HydrophobicContact CG2-CZ2 4.48Å; V305-W324 HydrophobicContact CG2-CZ3 4.07Å; F320-W324 HydrophobicContact CD1-CD2 4.1Å; F320-W324 AromaticContact CD1-CE2 3.91Å; F320-W324 HydrophobicContact CD1-CE3 4.16Å; F320-W324 AromaticContact CD1-CH2 3.92Å; F320-W324 HydrophobicContact CD1-CH2 3.92Å; F320-W324 AromaticContact CD1-CZ2 3.84Å; F320-W324 HydrophobicContact CD1-CZ2 3.84Å; F320-W324 HydrophobicContact CD1-CZ3 4.08Å; F320-W324 HydrophobicContact CE1-CH2 4.12Å; F320-W324 HydrophobicContact CE1-CZ2 4.01Å; F320-W324 VanDerWaalsContact O-CB 3.29Å; F320-W324 WeakPolarHBondContact O-CB 3.44Å; F320-W324 PolarHBondContact O-N 3.06Å; W324-D326 PolarHBondContact O-N 2.87Å; W324-D326 VanDerWaalsContact O-N 3.16Å; W324-D327 PolarHBondContact O-N 3.13Å; W324-N330 HydrophobicContact CB-CB 4.47Å; W324-N330 WeakPolarHBondContact CB-ND2 3.4Å; W324-N330 PolarHBondContact O-ND2 2.98Å
325K90.2Very high85.2Confident18 Ų1828.7 Ų28.78%0.07817%0.165CC..THydrogen-bonded Turntrans-60.6-28.5-173.170.8176-163.570.20115M321 F348 P350 M351 K352 M353M321-K325 WeakPolarHBondContact O-CB 3.35Å; M321-K325 WeakPolarHBondContact O-CD 3.5Å; M321-K325 WeakPolarHBondContact O-CG 3.4Å; M321-K325 PolarHBondContact O-N 2.92Å; K325-F348 HydrophobicContact CD-CB 4.2Å; K325-F348 HydrophobicContact CD-CD1 4.47Å; K325-F348 WeakPolarHBondContact CD-O 3.17Å; K325-P350 PolarHBondContact NZ-O 2.53Å; K325-M351 HydrophobicContact CB-CB 3.89Å; K325-M351 CarbonylContact O-C 3.33Å; K325-M351 WeakPolarHBondContact O-CB 3.32Å; K325-K352 PolarHBondContact O-N 3.37Å; K325-M353 VanDerWaalsContact CA-SD 3.54Å; K325-M353 HydrophobicContact CB-SD 4.13Å; K325-M353 PolarHBondContact O-N 2.9Å
326D91.1Very high85.1Confident87 Ų8728.8 Ų28.847%0.46516%0.158SC..THydrogen-bonded Turntrans-92.3-0-172.2-68.2-40.5000113.4W324 K352W324-D326 PolarHBondContact O-N 2.87Å; W324-D326 VanDerWaalsContact O-N 3.16Å; D326-K352 WeakPolarHBondContact O-CD 3.5Å
327D93.1Very high84.3Confident70 Ų7030.4 Ų30.437%0.37417%0.172SC..  trans-104115.5177.6-176-9.3000111W324 A329 N330 M353W324-D327 PolarHBondContact O-N 3.13Å; D327-A329 PolarHBondContact O-N 3.32Å; D327-A329 VanDerWaalsContact OD1-CB 3.26Å; D327-A329 WeakPolarHBondContact OD1-CB 3.27Å; D327-A329 PolarHBondContact OD1-N 3.07Å; D327-N330 WeakPolarHBondContact CB-ND2 3.43Å; D327-N330 PolarHBondContact O-N 3Å; D327-N330 VanDerWaalsContact O-N 3.16Å; D327-M353 VanDerWaalsContact O-CA 3.32Å; D327-M353 WeakPolarHBondContact O-CA 3.24Å; D327-M353 WeakPolarHBondContact O-CB 3.49Å
328P91.6Very high83.4Confident72 Ų7234.7 Ų34.747%0.46819%0.194SC..THydrogen-bonded Turntrans-69.9-11.9-179.831.3-36.7000114.2N330 K352 K354P328-N330 VanDerWaalsContact C-N 3.28Å; P328-K352 WeakPolarHBondContact CA-O 3.47Å; P328-K352 HydrophobicContact CB-CB 4.24Å; P328-K354 VanDerWaalsContact O-CE 3.24Å; P328-K354 WeakPolarHBondContact O-CE 3.26Å; P328-K354 PolarHBondContact O-NZ 3.27Å
329A89.7Confident82.8Confident26 Ų2637.6 Ų37.622%0.21521%0.205CC..THydrogen-bonded Turntrans-68.7-32.6171.400000110.9T206 G211 D327T206-A329 WeakPolarHBondContact CG2-O 3.29Å; G211-A329 WeakPolarHBondContact CA-O 3.49Å; D327-A329 PolarHBondContact O-N 3.32Å; D327-A329 VanDerWaalsContact OD1-CB 3.26Å; D327-A329 WeakPolarHBondContact OD1-CB 3.27Å; D327-A329 PolarHBondContact OD1-N 3.07Å
330N92.1Very high82.2Confident2 Ų237.9 Ų37.91%0.01122%0.216CC..  trans-76.5154.9-178-62.6-30.9000112.5N212 W324 D327 P328 M353 K354N212-N330 WeakPolarHBondContact CB-OD1 3.42Å; N212-N330 PolarHBondContact N-OD1 3.26Å; N212-N330 PolarHBondContact ND2-OD1 3.41Å; N212-N330 CarbonylContact O-C 3.5Å; N212-N330 VanDerWaalsContact O-CA 3.28Å; N212-N330 WeakPolarHBondContact O-CA 3.21Å; W324-N330 HydrophobicContact CB-CB 4.47Å; W324-N330 WeakPolarHBondContact CB-ND2 3.4Å; W324-N330 PolarHBondContact O-ND2 2.98Å; D327-N330 WeakPolarHBondContact CB-ND2 3.43Å; D327-N330 PolarHBondContact O-N 3Å; D327-N330 VanDerWaalsContact O-N 3.16Å; P328-N330 VanDerWaalsContact C-N 3.28Å; N330-M353 HydrophobicContact CB-CB 4.02Å; N330-M353 HydrophobicContact CB-CE 4.2Å; N330-M353 CarbonylContact O-C 3.56Å; N330-M353 WeakPolarHBondContact O-CA 3.43Å; N330-M353 WeakPolarHBondContact O-CB 3.49Å; N330-K354 PolarHBondContact O-N 3.18Å
331T89.6Confident81.4Confident2 Ų238.6 Ų38.61%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-133.4138.6177.3-61.70000110.4T206 N212 V213 L214 V333 M353 K354 R356T206-T331 WeakPolarHBondContact CG2-OG1 3.31Å; T206-T331 PolarHBondContact OG1-OG1 2.86Å; N212-T331 PolarHBondContact O-N 3.34Å; V213-T331 CarbonylContact C-O 3.58Å; V213-T331 WeakPolarHBondContact CA-O 3.43Å; L214-T331 PolarHBondContact N-O 3.14Å; T331-V333 HydrophobicContact CG2-CG2 4.22Å; T331-M353 VanDerWaalsContact C-CE 3.44Å; T331-K354 CarbonylContact C-O 3.53Å; T331-K354 VanDerWaalsContact CA-O 3.27Å; T331-K354 WeakPolarHBondContact CA-O 3.42Å; T331-K354 HydrophobicContact CG2-CB 4.19Å; T331-R356 HydrophobicContact CG2-CB 4.22Å; T331-R356 HydrophobicContact CG2-CG 3.62Å
332I91.5Very high80.5Confident0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-107.7130168.7-179.2166.3000108.4L214 P216 L312 M321 I334 L345 M351 M353 K354 V355 R356L214-I332 HydrophobicContact CD2-CD1 4.34Å; L214-I332 CarbonylContact O-C 3.57Å; L214-I332 VanDerWaalsContact O-CA 3.28Å; L214-I332 WeakPolarHBondContact O-CA 3.31Å; P216-I332 HydrophobicContact CG-CD1 3.66Å; P216-I332 HydrophobicContact CG-CG1 3.92Å; L312-I332 HydrophobicContact CD1-CD1 4.05Å; L312-I332 HydrophobicContact CD2-CD1 4.18Å; M321-I332 HydrophobicContact CE-CD1 4.41Å; M321-I332 HydrophobicContact SD-CD1 3.5Å; M321-I332 VanDerWaalsContact SD-CD1 3.5Å; I332-I334 HydrophobicContact CD1-CD1 3.69Å; I332-I334 HydrophobicContact CG1-CD1 3.73Å; I332-L345 HydrophobicContact CD1-CD2 4.44Å; I332-M351 HydrophobicContact CG2-CE 4.15Å; I332-M353 HydrophobicContact CB-CE 3.51Å; I332-M353 HydrophobicContact CB-SD 4.27Å; I332-M353 HydrophobicContact CG2-CE 3.9Å; I332-M353 HydrophobicContact CG2-CG 4.49Å; I332-M353 HydrophobicContact CG2-SD 4.18Å; I332-K354 WeakPolarHBondContact CG2-O 3.17Å; I332-K354 PolarHBondContact N-O 2.97Å; I332-V355 HydrophobicContact CG2-CB 4.16Å; I332-V355 HydrophobicContact CG2-CG1 4.24Å; I332-V355 HydrophobicContact CG2-CG2 3.79Å; I332-R356 PolarHBondContact O-N 3.3Å
333V85.8Confident80Confident2 Ų247.9 Ų47.91%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-111.8109.9177.8-173.10000108.1V213 L214 I215 P216 T331 T335 R356 E358V213-V333 HydrophobicContact CG1-CG2 3.84Å; L214-V333 PolarHBondContact O-N 3.45Å; I215-V333 HydrophobicContact CG1-CB 4.22Å; P216-V333 WeakPolarHBondContact CD-O 3.26Å; T331-V333 HydrophobicContact CG2-CG2 4.22Å; V333-T335 HydrophobicContact CG1-CG2 3.99Å; V333-R356 WeakPolarHBondContact CA-O 3.4Å; V333-R356 HydrophobicContact CG2-CB 4.25Å; V333-E358 HydrophobicContact CG1-CB 3.73Å; V333-E358 HydrophobicContact CG1-CG 3.58Å
334I80.6Confident79.5Confident8 Ų844.1 Ų44.14%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-87.6119.4175.6-53-56.9000108.2P216 L312 I332 T341 I344 R356 L357 E358P216-I334 HydrophobicContact CG-CD1 3.82Å; L312-I334 HydrophobicContact CD1-CD1 4.39Å; I332-I334 HydrophobicContact CD1-CD1 3.69Å; I332-I334 HydrophobicContact CG1-CD1 3.73Å; I334-T341 HydrophobicContact CG1-CG2 4.21Å; I334-I344 HydrophobicContact CD1-CD1 3.8Å; I334-I344 HydrophobicContact CG1-CD1 4.22Å; I334-I344 HydrophobicContact CG2-CD1 4.05Å; I334-R356 PolarHBondContact N-O 3.36Å; I334-L357 HydrophobicContact CB-CD2 3.95Å; I334-L357 HydrophobicContact CG2-CD2 4.41Å; I334-E358 PolarHBondContact O-N 2.81Å; I334-E358 VanDerWaalsContact O-N 3.08Å
335T72.1Confident79.1Confident15 Ų1543.4 Ų43.49%0.09225%0.248CC..  trans-113.6-16.7-175.755.50000113.6I215 L226 V333 P337 E358I215-T335 HydrophobicContact CG2-CG2 4Å; L226-T335 HydrophobicContact CD1-CG2 3.73Å; V333-T335 HydrophobicContact CG1-CG2 3.99Å; T335-P337 WeakPolarHBondContact O-CD 3.35Å; T335-E358 WeakPolarHBondContact CA-O 3.38Å; T335-E358 HydrophobicContact CG2-CB 4.11Å
336D70.7Confident78.5Confident36 Ų3647.7 Ų47.719%0.19327%0.271CS..  trans-90.8115-177.1-166.9-37.5000110.8P310 D338 Y339P310-D336 HydrophobicContact CB-CB 3.62Å; P310-D336 HydrophobicContact CG-CB 4.24Å; P310-D336 WeakPolarHBondContact CG-OD2 3.36Å; D336-D338 VanDerWaalsContact C-N 3.26Å; D336-D338 PolarHBondContact O-N 3.18Å; D336-D338 WeakPolarHBondContact OD1-CB 3.48Å; D336-D338 PolarHBondContact OD1-N 2.83Å; D336-Y339 HydrophobicContact CB-CD2 3.92Å; D336-Y339 PolarHBondContact O-N 3.48Å
337P62.1Low77.8Confident85 Ų8544.9 Ų44.955%0.55226%0.257SS*.THydrogen-bonded Turntrans-72.6-15.9-176.131.2-36.5000113.4T335 Y339T335-P337 WeakPolarHBondContact O-CD 3.35Å; P337-Y339 PolarHBondContact O-N 3.05Å
338D67.5Low77.2Confident89 Ų8941.8 Ų41.848%0.47624%0.24SC..THydrogen-bonded Turntrans-71.6-12178.4-75.7-37.6000112.2D336 K372D336-D338 VanDerWaalsContact C-N 3.26Å; D336-D338 PolarHBondContact O-N 3.18Å; D336-D338 WeakPolarHBondContact OD1-CB 3.48Å; D336-D338 PolarHBondContact OD1-N 2.83Å; D338-K372 IonicContact OD1-NZ 3.85Å; D338-K372 PolarHBondContact OD1-NZ 2.59Å; D338-K372 WeakPolarHBondContact OD2-CE 3.48Å; D338-K372 IonicContact OD2-NZ 2.69Å; D338-K372 PolarHBondContact OD2-NZ 2.83Å
339Y66.8Low76.8Confident71 Ų7142.7 Ų42.728%0.27824%0.241SC..SBendtrans-116.1104-175.8-64.7-79.4000111.9H309 P310 D336 P337 T341 I344H309-Y339 AromaticContact CE1-CZ 3.87Å; H309-Y339 PolarHBondContact CE1-OH 3.26Å; H309-Y339 VanDerWaalsContact CE1-OH 3.25Å; P310-Y339 HydrophobicContact CB-CD2 3.68Å; P310-Y339 HydrophobicContact CB-CE2 3.83Å; P310-Y339 HydrophobicContact CB-CG 4.46Å; P310-Y339 HydrophobicContact CG-CD2 4.03Å; P310-Y339 HydrophobicContact CG-CE2 3.62Å; D336-Y339 HydrophobicContact CB-CD2 3.92Å; D336-Y339 PolarHBondContact O-N 3.48Å; P337-Y339 PolarHBondContact O-N 3.05Å; Y339-T341 PolarHBondContact O-N 3.02Å; Y339-T341 VanDerWaalsContact O-N 3.14Å; Y339-I344 HydrophobicContact CD1-CG2 4.01Å; Y339-I344 HydrophobicContact CG-CG2 4.31Å
340A63.7Low76.7Confident55 Ų5546.2 Ų46.246%0.45526%0.261SS..  trans-60.9117.5175.200000111.1N342 D343 I344A340-N342 VanDerWaalsContact C-N 3.31Å; A340-N342 PolarHBondContact O-N 3.3Å; A340-D343 HydrophobicContact CB-CB 4.3Å; A340-D343 WeakPolarHBondContact O-CB 3.3Å; A340-D343 PolarHBondContact O-N 2.96Å; A340-I344 PolarHBondContact O-N 2.64Å
341T68.7Low76.6Confident22 Ų2247.7 Ų47.714%0.13527%0.269CS..Hα-helixtrans-53.8-43.7-173.9-58.70000113.6I334 Y339 D343 I344 L345 V355 L357I334-T341 HydrophobicContact CG1-CG2 4.21Å; Y339-T341 PolarHBondContact O-N 3.02Å; Y339-T341 VanDerWaalsContact O-N 3.14Å; T341-D343 VanDerWaalsContact C-N 3.3Å; T341-D343 PolarHBondContact O-N 3.28Å; T341-I344 WeakPolarHBondContact O-CG1 3.45Å; T341-I344 PolarHBondContact O-N 2.93Å; T341-L345 HydrophobicContact CG2-CD1 3.59Å; T341-L345 HydrophobicContact CG2-CG 4.29Å; T341-L345 WeakPolarHBondContact O-CB 3.49Å; T341-L345 VanDerWaalsContact O-CG 3.26Å; T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 2.84Å; T341-V355 HydrophobicContact CG2-CG1 3.72Å; T341-L357 HydrophobicContact CG2-CD2 4Å; T341-L357 WeakPolarHBondContact OG1-CD2 3.42Å
342N68.9Low76.7Confident135 Ų13554.4 Ų54.472%0.72230%0.298SS*.Hα-helixtrans-58.4-46.4177.9-69.6-27.9000110.5A340 L346A340-N342 VanDerWaalsContact C-N 3.31Å; A340-N342 PolarHBondContact O-N 3.3Å; N342-L346 VanDerWaalsContact O-CG 3.3Å; N342-L346 WeakPolarHBondContact O-CG 3.35Å; N342-L346 PolarHBondContact O-N 3.39Å
343D70.5Confident76.7Confident97 Ų9754.7 Ų54.752%0.51930%0.299SS..Hα-helixtrans-69.4-45-177.1-63.6-25.3000112R313 A340 T341 L345 L346R313-D343 PolarHBondContact NH2-O 3.46Å; A340-D343 HydrophobicContact CB-CB 4.3Å; A340-D343 WeakPolarHBondContact O-CB 3.3Å; A340-D343 PolarHBondContact O-N 2.96Å; T341-D343 VanDerWaalsContact C-N 3.3Å; T341-D343 PolarHBondContact O-N 3.28Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 3.13Å; D343-L346 PolarHBondContact O-N 3.12Å
344I73.8Confident76.7Confident9 Ų958.1 Ų58.15%0.04631%0.314CS..Hα-helixtrans-69.5-28.1-179.162.6174.6000112.5L312 R313 I334 Y339 A340 T341 P347L312-I344 HydrophobicContact CB-CB 4.41Å; L312-I344 HydrophobicContact CD1-CB 4.1Å; L312-I344 HydrophobicContact CD1-CD1 3.86Å; L312-I344 HydrophobicContact CD1-CG1 3.91Å; L312-I344 HydrophobicContact CG-CB 4.28Å; L312-I344 HydrophobicContact CG-CD1 4.12Å; L312-I344 HydrophobicContact CG-CG1 4.42Å; R313-I344 PolarHBondContact NH1-O 2.77Å; I334-I344 HydrophobicContact CD1-CD1 3.8Å; I334-I344 HydrophobicContact CG1-CD1 4.22Å; I334-I344 HydrophobicContact CG2-CD1 4.05Å; Y339-I344 HydrophobicContact CD1-CG2 4.01Å; Y339-I344 HydrophobicContact CG-CG2 4.31Å; A340-I344 PolarHBondContact O-N 2.64Å; T341-I344 WeakPolarHBondContact O-CG1 3.45Å; T341-I344 PolarHBondContact O-N 2.93Å; I344-P347 WeakPolarHBondContact O-CD 3.23Å
345L81.9Confident76.8Confident11 Ų1160.5 Ų60.56%0.05833%0.329CS..Hα-helixtrans-84-19.4179.4-67.7176.4000114L312 M321 I332 T341 D343 P347 F348 L349 M351 V355L312-L345 HydrophobicContact CD1-CD2 3.59Å; L312-L345 HydrophobicContact CD1-CG 4.41Å; M321-L345 HydrophobicContact CE-CD2 3.89Å; I332-L345 HydrophobicContact CD1-CD2 4.44Å; T341-L345 HydrophobicContact CG2-CD1 3.59Å; T341-L345 HydrophobicContact CG2-CG 4.29Å; T341-L345 WeakPolarHBondContact O-CB 3.49Å; T341-L345 VanDerWaalsContact O-CG 3.26Å; T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 2.84Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 3.13Å; L345-P347 VanDerWaalsContact C-N 3.3Å; L345-P347 WeakPolarHBondContact O-CD 3.5Å; L345-F348 PolarHBondContact O-N 3.1Å; L345-L349 PolarHBondContact O-N 2.86Å; L345-M351 HydrophobicContact CD1-SD 4.37Å; L345-M351 HydrophobicContact CD2-CE 4.2Å; L345-M351 HydrophobicContact CD2-SD 4Å; L345-V355 HydrophobicContact CD1-CB 4.27Å; L345-V355 HydrophobicContact CD1-CG1 3.64Å; L345-V355 HydrophobicContact CD1-CG2 3.63Å
346L76.9Confident76.8Confident108 Ų10863.9 Ų63.957%0.56534%0.34SS*.G310 helixtrans-41.5-46.3-178-73.2176.9000114.8N342 D343 F348 L349N342-L346 VanDerWaalsContact O-CG 3.3Å; N342-L346 WeakPolarHBondContact O-CG 3.35Å; N342-L346 PolarHBondContact O-N 3.39Å; D343-L346 PolarHBondContact O-N 3.12Å; L346-F348 PolarHBondContact O-N 2.58Å; L346-L349 HydrophobicContact CD2-CD1 4.34Å; L346-L349 PolarHBondContact O-N 2.89Å
347P77.1Confident76.5Confident27 Ų2766.2 Ų66.218%0.17535%0.352CS..G310 helixtrans-70.5-16.6-176.9-17.833.1000114.7I344 L345 P385I344-P347 WeakPolarHBondContact O-CD 3.23Å; L345-P347 VanDerWaalsContact C-N 3.3Å; L345-P347 WeakPolarHBondContact O-CD 3.5Å; P347-P385 HydrophobicContact CB-CG 3.85Å
348F80.1Confident76.1Confident6 Ų665.6 Ų65.63%0.02634%0.342CS..G310 helixtrans-100.2-7-176.5-57.8-77.9000112.8L312 V318 M321 K325 L345 L346 P350 P385L312-F348 HydrophobicContact CB-CE2 3.75Å; L312-F348 HydrophobicContact CB-CZ 4.41Å; L312-F348 WeakPolarHBondContact O-CE2 2.89Å; L312-F348 WeakPolarHBondContact O-CZ 3.41Å; V318-F348 HydrophobicContact CG1-CZ 4.43Å; M321-F348 HydrophobicContact CB-CD1 3.64Å; M321-F348 HydrophobicContact CB-CE1 3.37Å; M321-F348 HydrophobicContact CB-CE2 4.46Å; M321-F348 HydrophobicContact CB-CG 4.28Å; M321-F348 HydrophobicContact CB-CZ 3.83Å; M321-F348 HydrophobicContact CE-CB 3.62Å; M321-F348 HydrophobicContact CE-CD1 3.94Å; M321-F348 HydrophobicContact CE-CD2 3.64Å; M321-F348 HydrophobicContact CE-CE2 4.29Å; M321-F348 HydrophobicContact CE-CG 3.43Å; M321-F348 VanDerWaalsContact CE-CG 3.43Å; M321-F348 HydrophobicContact CG-CD1 4.41Å; M321-F348 HydrophobicContact CG-CE1 4.16Å; M321-F348 HydrophobicContact CG-CE2 4.41Å; M321-F348 HydrophobicContact CG-CZ 4.15Å; K325-F348 HydrophobicContact CD-CB 4.2Å; K325-F348 HydrophobicContact CD-CD1 4.47Å; K325-F348 WeakPolarHBondContact CD-O 3.17Å; L345-F348 PolarHBondContact O-N 3.1Å; L346-F348 PolarHBondContact O-N 2.58Å; F348-P350 CarbonylContact O-C 3.01Å; F348-P385 HydrophobicContact CE1-CG 4.33Å; F348-P385 HydrophobicContact CZ-CG 4.4Å
349L81.7Confident75.1Confident91 Ų9164.3 Ų64.348%0.47633%0.334SS..  trans-71.7141.8176.6-60.8-179.2000111.4L345 L346 M351L345-L349 PolarHBondContact O-N 2.86Å; L346-L349 HydrophobicContact CD2-CD1 4.34Å; L346-L349 PolarHBondContact O-N 2.89Å; L349-M351 HydrophobicContact CD2-CG 3.91Å; L349-M351 HydrophobicContact CD2-SD 4.01Å
350P89.3Confident73.9Confident99 Ų9963.7 Ų63.764%0.64334%0.34SS*.SBendcis-74.4149.6-6.732.4-34.9000112.3K325 F348K325-P350 PolarHBondContact NZ-O 2.53Å; F348-P350 CarbonylContact O-C 3.01Å
351M90.3Very high72.7Confident34 Ų3461.5 Ų61.517%0.16732%0.321CS..  trans-137.4151.6175.863.2-167.7-7400109.8M321 K325 I332 L345 L349 M353 V355M321-M351 HydrophobicContact CE-CE 4.01Å; M321-M351 HydrophobicContact CE-SD 4.45Å; K325-M351 HydrophobicContact CB-CB 3.89Å; K325-M351 CarbonylContact O-C 3.33Å; K325-M351 WeakPolarHBondContact O-CB 3.32Å; I332-M351 HydrophobicContact CG2-CE 4.15Å; L345-M351 HydrophobicContact CD1-SD 4.37Å; L345-M351 HydrophobicContact CD2-CE 4.2Å; L345-M351 HydrophobicContact CD2-SD 4Å; L349-M351 HydrophobicContact CD2-CG 3.91Å; L349-M351 HydrophobicContact CD2-SD 4.01Å; M351-M353 HydrophobicContact CE-CG 3.12Å; M351-M353 HydrophobicContact CE-SD 3.5Å; M351-M353 VanDerWaalsContact CE-SD 3.5Å; M351-V355 HydrophobicContact CE-CG2 3.77Å; M351-V355 HydrophobicContact SD-CG2 4.25Å
352K90.3Very high71.1Confident143 Ų14362 Ų6262%0.62233%0.327SS*.  trans-106.3-23.6178.3-60.3-170.2-169.8167.30113.5K325 D326 P328K325-K352 PolarHBondContact O-N 3.37Å; D326-K352 WeakPolarHBondContact O-CD 3.5Å; P328-K352 WeakPolarHBondContact CA-O 3.47Å; P328-K352 HydrophobicContact CB-CB 4.24Å
353M92Very high69.5Low6 Ų658.6 Ų58.63%0.0331%0.306CS..SBendtrans-58.6147.2177.474179.1-55.900110.5M321 K325 D327 N330 T331 I332 M351M321-M353 HydrophobicContact CE-SD 4.49Å; M321-M353 HydrophobicContact SD-SD 4.11Å; K325-M353 VanDerWaalsContact CA-SD 3.54Å; K325-M353 HydrophobicContact CB-SD 4.13Å; K325-M353 PolarHBondContact O-N 2.9Å; D327-M353 VanDerWaalsContact O-CA 3.32Å; D327-M353 WeakPolarHBondContact O-CA 3.24Å; D327-M353 WeakPolarHBondContact O-CB 3.49Å; N330-M353 HydrophobicContact CB-CB 4.02Å; N330-M353 HydrophobicContact CB-CE 4.2Å; N330-M353 CarbonylContact O-C 3.56Å; N330-M353 WeakPolarHBondContact O-CA 3.43Å; N330-M353 WeakPolarHBondContact O-CB 3.49Å; T331-M353 VanDerWaalsContact C-CE 3.44Å; I332-M353 HydrophobicContact CB-CE 3.51Å; I332-M353 HydrophobicContact CB-SD 4.27Å; I332-M353 HydrophobicContact CG2-CE 3.9Å; I332-M353 HydrophobicContact CG2-CG 4.49Å; I332-M353 HydrophobicContact CG2-SD 4.18Å; M351-M353 HydrophobicContact CE-CG 3.12Å; M351-M353 HydrophobicContact CE-SD 3.5Å; M351-M353 VanDerWaalsContact CE-SD 3.5Å
354K85.4Confident67.7Low73 Ų7356.4 Ų56.432%0.31730%0.298SS..EExtended strand (participates in β ladder)trans-71.8139.2-178.8-61.1159.6-171.3153.60109.3P328 N330 T331 I332P328-K354 VanDerWaalsContact O-CE 3.24Å; P328-K354 WeakPolarHBondContact O-CE 3.26Å; P328-K354 PolarHBondContact O-NZ 3.27Å; N330-K354 PolarHBondContact O-N 3.18Å; T331-K354 CarbonylContact C-O 3.53Å; T331-K354 VanDerWaalsContact CA-O 3.27Å; T331-K354 WeakPolarHBondContact CA-O 3.42Å; T331-K354 HydrophobicContact CG2-CB 4.19Å; I332-K354 WeakPolarHBondContact CG2-O 3.17Å; I332-K354 PolarHBondContact N-O 2.97Å
355V83.2Confident65.6Low58 Ų5857.7 Ų57.735%0.35231%0.308SS..EExtended strand (participates in β ladder)trans-107126.5174.2-179.40000108.1I332 T341 L345 M351I332-V355 HydrophobicContact CG2-CB 4.16Å; I332-V355 HydrophobicContact CG2-CG1 4.24Å; I332-V355 HydrophobicContact CG2-CG2 3.79Å; T341-V355 HydrophobicContact CG2-CG1 3.72Å; L345-V355 HydrophobicContact CD1-CB 4.27Å; L345-V355 HydrophobicContact CD1-CG1 3.64Å; L345-V355 HydrophobicContact CD1-CG2 3.63Å; M351-V355 HydrophobicContact CE-CG2 3.77Å; M351-V355 HydrophobicContact SD-CG2 4.25Å
356R72.7Confident63.1Low86 Ų8661.3 Ų61.333%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-122.4144177.1-67.3-69174.4172.5-5.2110S202 T331 I332 V333 I334S202-R356 VanDerWaalsContact CB-NH2 3.26Å; S202-R356 PolarHBondContact OG-NE 2.85Å; S202-R356 PolarHBondContact OG-NH1 2.92Å; S202-R356 VanDerWaalsContact OG-NH1 3.17Å; S202-R356 PolarHBondContact OG-NH2 3.17Å; T331-R356 HydrophobicContact CG2-CB 4.22Å; T331-R356 HydrophobicContact CG2-CG 3.62Å; I332-R356 PolarHBondContact O-N 3.3Å; V333-R356 WeakPolarHBondContact CA-O 3.4Å; V333-R356 HydrophobicContact CG2-CB 4.25Å; I334-R356 PolarHBondContact N-O 3.36Å
357L64.5Low60.8Low85 Ų8561 Ų6145%0.44534%0.335SS..EExtended strand (participates in β ladder)trans-111.8105.9176.2-70.6172.2000107.1I334 T341 I359I334-L357 HydrophobicContact CB-CD2 3.95Å; I334-L357 HydrophobicContact CG2-CD2 4.41Å; T341-L357 HydrophobicContact CG2-CD2 4Å; T341-L357 WeakPolarHBondContact OG1-CD2 3.42Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 HydrophobicContact CB-CG1 4.32Å; L357-I359 PolarHBondContact O-N 2.8Å
358E53.3Low58.6Low73 Ų7364.4 Ų64.434%0.34135%0.35SS..  trans-95.878.9163.5-78.9-174-157.200106.3V333 I334 T335 S360V333-E358 HydrophobicContact CG1-CB 3.73Å; V333-E358 HydrophobicContact CG1-CG 3.58Å; I334-E358 PolarHBondContact O-N 2.81Å; I334-E358 VanDerWaalsContact O-N 3.08Å; T335-E358 WeakPolarHBondContact CA-O 3.38Å; T335-E358 HydrophobicContact CG2-CB 4.11Å; E358-S360 VanDerWaalsContact C-N 3.26Å; E358-S360 PolarHBondContact O-N 3.39Å
359I46.9Very low56Low62 Ų6269.7 Ų69.732%0.31838%0.375SS..  trans-72.197.9165.3-57.6170.6000104.1L10 L357 S361L10-I359 HydrophobicContact CD1-CD1 3.51Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 HydrophobicContact CB-CG1 4.32Å; L357-I359 PolarHBondContact O-N 2.8Å; I359-S361 PolarHBondContact O-N 3.37Å
360S41.3Very low53.4Low58 Ų5869.1 Ų69.141%0.40638%0.379SS..  trans-59102.4153.2-173.70000104.8E358 A362E358-S360 VanDerWaalsContact C-N 3.26Å; E358-S360 PolarHBondContact O-N 3.39Å; S360-A362 PolarHBondContact O-N 2.99Å
361S37.8Very low50.5Low9 Ų970.4 Ų70.46%0.06337%0.374CS..  trans-65.26.3-174.836.50000113.2W196 I359 F363W196-S361 PolarHBondContact N-OG 3.24Å; I359-S361 PolarHBondContact O-N 3.37Å; S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 VanDerWaalsContact O-CD2 3.24Å; S361-F363 WeakPolarHBondContact O-CD2 3.49Å; S361-F363 PolarHBondContact O-N 3.13Å
362A34.9Very low47.4Very low31 Ų3174.1 Ų74.126%0.25639%0.39SS..  trans-75.187.8162.900000109.6N195 S360 C364N195-A362 WeakPolarHBondContact ND2-CB 3.41Å; N195-A362 VanDerWaalsContact OD1-CA 3.29Å; N195-A362 WeakPolarHBondContact OD1-CA 3.43Å; N195-A362 WeakPolarHBondContact OD1-CB 3.3Å; N195-A362 PolarHBondContact OD1-N 3.39Å; N195-A362 VanDerWaalsContact OD1-N 3.15Å; S360-A362 PolarHBondContact O-N 2.99Å; A362-C364 PolarHBondContact O-N 2.81Å
363F34.8Very low44.4Very low64 Ų6473.6 Ų73.628%0.28139%0.392SS..  trans-18.6111.8142.2-70.5-90.9000111.3P8 S361 S365P8-F363 HydrophobicContact CG-CE1 4.37Å; P8-F363 HydrophobicContact CG-CZ 4.03Å; S361-F363 VanDerWaalsContact C-N 3.31Å; S361-F363 VanDerWaalsContact O-CD2 3.24Å; S361-F363 WeakPolarHBondContact O-CD2 3.49Å; S361-F363 PolarHBondContact O-N 3.13Å; F363-S365 PolarHBondContact O-N 3.25Å
364C33.2Very low41.3Very low51 Ų5181.3 Ų81.335%0.34542%0.421SS..  trans-35.8105.7167.3-158.90000108.3A362A362-C364 PolarHBondContact O-N 2.81Å
365S30.4Very low38.6Very low36 Ų3679.8 Ų79.825%0.25242%0.418SS..  trans-48.3140.2168.1167.30000107.2F363 T367 I368 Q369F363-S365 PolarHBondContact O-N 3.25Å; S365-T367 PolarHBondContact O-N 2.88Å; S365-T367 WeakPolarHBondContact OG-CB 3.17Å; S365-T367 PolarHBondContact OG-N 3.07Å; S365-T367 PolarHBondContact OG-OG1 2.91Å; S365-T367 VanDerWaalsContact OG-OG1 3.13Å; S365-I368 PolarHBondContact O-N 2.89Å; S365-Q369 PolarHBondContact O-N 3.21Å
366P29.4Very low36Very low87 Ų8781.1 Ų81.157%0.56543%0.43SS*.Hα-helixtrans-50.2-25.1171.9-24.632.5000112I368 Q369 S370P366-I368 VanDerWaalsContact C-N 3.33Å; P366-I368 PolarHBondContact O-N 3.19Å; P366-Q369 WeakPolarHBondContact O-CB 3.44Å; P366-Q369 PolarHBondContact O-N 2.95Å; P366-Q369 VanDerWaalsContact O-N 3.16Å; P366-S370 PolarHBondContact O-N 3.18Å
367T28.2Very low34.1Very low103 Ų10382 Ų8263%0.63244%0.438SS*.Hα-helixtrans-64-32175-43.30000113.2S365 S370S365-T367 PolarHBondContact O-N 2.88Å; S365-T367 WeakPolarHBondContact OG-CB 3.17Å; S365-T367 PolarHBondContact OG-N 3.07Å; S365-T367 PolarHBondContact OG-OG1 2.91Å; S365-T367 VanDerWaalsContact OG-OG1 3.13Å; T367-S370 WeakPolarHBondContact O-CB 3.37Å; T367-S370 PolarHBondContact O-N 3.25Å; T367-S370 PolarHBondContact O-OG 3.24Å
368I30.4Very low32.7Very low97 Ų9784.9 Ų84.950%0.49744%0.444SS..Hα-helixtrans-80.3-23.4174.7-60177.8000111.5S365 P366 S370 F371S365-I368 PolarHBondContact O-N 2.89Å; P366-I368 VanDerWaalsContact C-N 3.33Å; P366-I368 PolarHBondContact O-N 3.19Å; I368-S370 PolarHBondContact O-N 3.04Å; I368-F371 PolarHBondContact O-N 3Å
369Q26.9Very low31.9Very low118 Ų11885.3 Ų85.355%0.55144%0.444SS*.Hα-helixtrans-60.4-25.9166.9-76.3-171.6-1100112.2S365 P366 F371 K372S365-Q369 PolarHBondContact O-N 3.21Å; P366-Q369 WeakPolarHBondContact O-CB 3.44Å; P366-Q369 PolarHBondContact O-N 2.95Å; P366-Q369 VanDerWaalsContact O-N 3.16Å; Q369-F371 PolarHBondContact O-N 3.47Å; Q369-K372 WeakPolarHBondContact O-CB 3.42Å; Q369-K372 PolarHBondContact O-N 2.79Å
370S26.1Very low31.5Very low78 Ų7886.7 Ų86.755%0.54545%0.45SS..G310 helixtrans-66.7-24.9171.6-10.70000113.2P366 T367 I368 K372P366-S370 PolarHBondContact O-N 3.18Å; T367-S370 WeakPolarHBondContact O-CB 3.37Å; T367-S370 PolarHBondContact O-N 3.25Å; T367-S370 PolarHBondContact O-OG 3.24Å; I368-S370 PolarHBondContact O-N 3.04Å; S370-K372 VanDerWaalsContact C-N 3.34Å
371F28.2Very low31.2Very low126 Ų12685 Ų8555%0.55344%0.439SS*.G310 helixtrans-83.4-9.9179-139.2-93.2000113.2I368 Q369 I373 R374I368-F371 PolarHBondContact O-N 3Å; Q369-F371 PolarHBondContact O-N 3.47Å; F371-I373 PolarHBondContact O-N 3.13Å; F371-R374 PolarHBondContact O-N 3.33Å
372K26.2Very low31.2Very low112 Ų11287.2 Ų87.249%0.48745%0.452SS..G310 helixtrans-57.7-12.9170.8-100.3175.2173.5164.40113.4D338 Q369 S370D338-K372 IonicContact OD1-NZ 3.85Å; D338-K372 PolarHBondContact OD1-NZ 2.59Å; D338-K372 WeakPolarHBondContact OD2-CE 3.48Å; D338-K372 IonicContact OD2-NZ 2.69Å; D338-K372 PolarHBondContact OD2-NZ 2.83Å; Q369-K372 WeakPolarHBondContact O-CB 3.42Å; Q369-K372 PolarHBondContact O-N 2.79Å; S370-K372 VanDerWaalsContact C-N 3.34Å
373I27Very low31.3Very low133 Ų13388 Ų8868%0.68245%0.449SS*.G310 helixtrans-82.6-12.3-175.5-64.9176.9000113.7F371F371-I373 PolarHBondContact O-N 3.13Å
374R25.8Very low31.5Very low167 Ų16785.7 Ų85.763%0.6344%0.441SS*.THydrogen-bonded Turntrans-117.4-19.3-170.8-136.1174.2-73.6-178.7-0.8117.7F371 Q377F371-R374 PolarHBondContact O-N 3.33Å; R374-Q377 WeakPolarHBondContact O-CG 3.34Å
375V29.1Very low31.6Very low42 Ų4283.8 Ų83.826%0.25543%0.429SS..G310 helixtrans-79.3-19.7179.9178.70000112.7V218 Q377V218-V375 HydrophobicContact CG1-CG1 3.64Å; V218-V375 HydrophobicContact CG1-CG2 4.29Å; V218-V375 HydrophobicContact CG2-CG1 4.4Å; V375-Q377 PolarHBondContact O-N 3.07Å
376S28.5Very low32.1Very low85 Ų8583.2 Ų83.259%0.59442%0.422SS*.G310 helixtrans-63.9-6.6177.654.20000114.7Y378S376-Y378 VanDerWaalsContact C-N 3.34Å; S376-Y378 PolarHBondContact O-N 3.02Å
377Q32.4Very low32.7Very low105 Ų10580.8 Ų80.849%0.49140%0.404SS..G310 helixtrans-78.2-5.5-172.3-63.8-179.4-5.700115.1R374 V375R374-Q377 WeakPolarHBondContact O-CG 3.34Å; V375-Q377 PolarHBondContact O-N 3.07Å
378Y35.8Very low33.3Very low146 Ų14680.3 Ų80.357%0.57340%0.401SS*.G310 helixtrans-116.60.8-165.2-68-75000118V250 S376V250-Y378 HydrophobicContact CG1-CD1 4.16Å; V250-Y378 HydrophobicContact CG1-CE1 4.22Å; V250-Y378 HydrophobicContact CG1-CG 4.45Å; S376-Y378 VanDerWaalsContact C-N 3.34Å; S376-Y378 PolarHBondContact O-N 3.02Å
379F35.6Very low33.8Very low81 Ų8184.6 Ų84.636%0.35541%0.411SS..  trans-123.8125.1-171.5-55.1-69.1000114.6H309 I314H309-F379 AromaticContact CD2-CE2 3.99Å; I314-F379 HydrophobicContact CD1-CB 4.05Å; I314-F379 HydrophobicContact CD1-CD1 4.04Å; I314-F379 HydrophobicContact CD1-CD2 3.9Å; I314-F379 HydrophobicContact CD1-CE1 4.5Å; I314-F379 HydrophobicContact CD1-CE2 4.36Å; I314-F379 HydrophobicContact CD1-CG 3.72Å
380Q38.6Very low34.6Very low92 Ų9281.3 Ų81.343%0.4340%0.397SS..  trans-110.9-7.7-174.3-71.8166.72700115.3Y412 T413 F414Q380-Y412 VanDerWaalsContact CG-O 3.24Å; Q380-Y412 WeakPolarHBondContact CG-O 3.41Å; Q380-Y412 VanDerWaalsContact NE2-C 3.32Å; Q380-Y412 PolarHBondContact NE2-O 3.3Å; Q380-Y412 PolarHBondContact OE1-O 2.98Å; Q380-T413 VanDerWaalsContact NE2-CA 3.32Å; Q380-T413 PolarHBondContact NE2-O 3.03Å; Q380-F414 PolarHBondContact NE2-O 2.88Å
381A36.5Very low35.7Very low21 Ų2181.4 Ų81.417%0.17440%0.395CS..  trans-147.6138.2-179.800000111.6I314 F383 R428I314-A381 WeakPolarHBondContact CG2-O 3.33Å; A381-F383 HydrophobicContact CB-CD2 4.44Å; A381-F383 HydrophobicContact CB-CE2 3.8Å; A381-F383 HydrophobicContact CB-CZ 4.06Å; A381-R428 HydrophobicContact CB-CG 4.48Å
382V37.1Very low36.6Very low57 Ų5779.5 Ų79.535%0.34540%0.403SS..EExtended strand (participates in β ladder)trans-94124.2167.7-178.50000107.9R313 I314R313-V382 HydrophobicContact CB-CG1 4.42Å; I314-V382 HydrophobicContact CG2-CB 4.46Å; I314-V382 HydrophobicContact CG2-CG1 4.47Å; I314-V382 HydrophobicContact CG2-CG2 4.49Å
383F37.4Very low37.6Very low46 Ų4679.6 Ų79.620%0.20241%0.409CS..EExtended strand (participates in β ladder)trans-100.3109176.2-70.4-83.7000109R313 A381 P385 V417 F426 R428R313-F383 PolarHBondContact O-N 3.06Å; A381-F383 HydrophobicContact CB-CD2 4.44Å; A381-F383 HydrophobicContact CB-CE2 3.8Å; A381-F383 HydrophobicContact CB-CZ 4.06Å; F383-P385 WeakPolarHBondContact O-CD 3.23Å; F383-V417 HydrophobicContact CE2-CG2 4.01Å; F383-V417 HydrophobicContact CZ-CG2 3.69Å; F383-F426 HydrophobicContact CB-CD1 4.24Å; F383-F426 HydrophobicContact CD1-CB 4.17Å; F383-R428 HydrophobicContact CE1-CB 4.29Å; F383-R428 HydrophobicContact CE1-CG 4.2Å; F383-R428 HydrophobicContact CZ-CG 4.5Å
384C38Very low38.5Very low16 Ų1677.3 Ų77.311%0.10840%0.395CS..EExtended strand (participates in β ladder)trans-95.6116.8172.7-161.10000108.8I386 F402 L427C384-I386 PolarHBondContact O-N 3.15Å; C384-F402 VanDerWaalsContact SG-CE2 3.59Å; C384-L427 PolarHBondContact O-N 3.26Å
385P35.6Very low39.2Very low12 Ų1271.4 Ų71.48%0.07838%0.375CS..EExtended strand (participates in β ladder)trans-65.3121.8168.825.1-29.4000108.5P347 F348 F383 F426P347-P385 HydrophobicContact CB-CG 3.85Å; F348-P385 HydrophobicContact CE1-CG 4.33Å; F348-P385 HydrophobicContact CZ-CG 4.4Å; F383-P385 WeakPolarHBondContact O-CD 3.23Å; P385-F426 HydrophobicContact CB-CD1 4.27Å; P385-F426 HydrophobicContact CB-CE1 3.93Å
386I41.6Very low40Very low24 Ų2471.2 Ų71.212%0.12338%0.382CS..PPolyproline II helixtrans-92132.7173.9-63.5-173.2000108.5C384 T388 L390 I395 L425 L427C384-I386 PolarHBondContact O-N 3.15Å; I386-T388 PolarHBondContact O-N 3.48Å; I386-L390 HydrophobicContact CG2-CD1 4.37Å; I386-I395 HydrophobicContact CD1-CD1 4.31Å; I386-I395 HydrophobicContact CD1-CG1 4.38Å; I386-I395 HydrophobicContact CD1-CG2 3.79Å; I386-I395 HydrophobicContact CG2-CD1 3.76Å; I386-I395 HydrophobicContact CG2-CG1 3.9Å; I386-L425 PolarHBondContact N-O 3.4Å; I386-L427 HydrophobicContact CD1-CB 3.48Å; I386-L427 VanDerWaalsContact CD1-CB 3.48Å; I386-L427 HydrophobicContact CD1-CD2 4.23Å; I386-L427 HydrophobicContact CD1-CG 4.31Å; I386-L427 HydrophobicContact CG1-CB 4.17Å
387D41.5Very low41Very low35 Ų3572.7 Ų72.719%0.18738%0.38CS..PPolyproline II helixtrans-70.6116.5163-176.4-18000108.2R389 L390D387-R389 PolarHBondContact O-N 2.89Å; D387-R389 VanDerWaalsContact OD1-CB 3.28Å; D387-R389 WeakPolarHBondContact OD1-CB 3.14Å; D387-R389 WeakPolarHBondContact OD1-CG 3.39Å; D387-R389 IonicContact OD1-CZ 3.89Å; D387-R389 PolarHBondContact OD1-N 3.28Å; D387-R389 IonicContact OD1-NE 3Å; D387-R389 PolarHBondContact OD1-NE 3.37Å; D387-R389 IonicContact OD1-NH2 2.79Å; D387-R389 IonicContact OD2-CZ 3.33Å; D387-R389 IonicContact OD2-NE 3.14Å; D387-R389 PolarHBondContact OD2-NE 3.05Å; D387-R389 VanDerWaalsContact OD2-NE 3.14Å; D387-R389 IonicContact OD2-NH2 3.92Å; D387-R389 PolarHBondContact OD2-NH2 2.86Å; D387-L390 HydrophobicContact CB-CD1 3.83Å; D387-L390 HydrophobicContact CB-CG 3.96Å; D387-L390 VanDerWaalsContact O-CB 3.31Å; D387-L390 WeakPolarHBondContact O-CB 3.29Å; D387-L390 WeakPolarHBondContact O-CG 3.24Å; D387-L390 PolarHBondContact O-N 3.32Å
388T40Very low41.5Very low93 Ų9370.7 Ų70.757%0.57137%0.372SS*.THydrogen-bonded Turntrans-63.1-11.3-176.751.40000113.4I386 L390I386-T388 PolarHBondContact O-N 3.48Å; T388-L390 VanDerWaalsContact C-N 3.3Å
389R42.5Very low41.7Very low187 Ų18765.1 Ų65.171%0.70635%0.353SS*.THydrogen-bonded Turntrans-79.6-12.2173.5-58175.3-66.1176.83.9113.1D387D387-R389 PolarHBondContact O-N 2.89Å; D387-R389 VanDerWaalsContact OD1-CB 3.28Å; D387-R389 WeakPolarHBondContact OD1-CB 3.14Å; D387-R389 WeakPolarHBondContact OD1-CG 3.39Å; D387-R389 IonicContact OD1-CZ 3.89Å; D387-R389 PolarHBondContact OD1-N 3.28Å; D387-R389 IonicContact OD1-NE 3Å; D387-R389 PolarHBondContact OD1-NE 3.37Å; D387-R389 IonicContact OD1-NH2 2.79Å; D387-R389 IonicContact OD2-CZ 3.33Å; D387-R389 IonicContact OD2-NE 3.14Å; D387-R389 PolarHBondContact OD2-NE 3.05Å; D387-R389 VanDerWaalsContact OD2-NE 3.14Å; D387-R389 IonicContact OD2-NH2 3.92Å; D387-R389 PolarHBondContact OD2-NH2 2.86Å
390L42.1Very low42.1Very low49 Ų4964 Ų6426%0.25736%0.358SS..SBendtrans-74.1136179.8-65.3166.4000110.7I386 D387 T388 Q394 I395 I398I386-L390 HydrophobicContact CG2-CD1 4.37Å; D387-L390 HydrophobicContact CB-CD1 3.83Å; D387-L390 HydrophobicContact CB-CG 3.96Å; D387-L390 VanDerWaalsContact O-CB 3.31Å; D387-L390 WeakPolarHBondContact O-CB 3.29Å; D387-L390 WeakPolarHBondContact O-CG 3.24Å; D387-L390 PolarHBondContact O-N 3.32Å; T388-L390 VanDerWaalsContact C-N 3.3Å; L390-Q394 HydrophobicContact CB-CB 4.24Å; L390-Q394 HydrophobicContact CD2-CB 4Å; L390-I395 HydrophobicContact CB-CD1 4.43Å; L390-I395 HydrophobicContact CB-CG1 3.89Å; L390-I398 HydrophobicContact CD1-CD1 3.61Å; L390-I398 HydrophobicContact CD2-CD1 4.39Å
391T49.6Very low42.2Very low80 Ų8067.5 Ų67.549%0.49137%0.372SS..  trans-69.8157.6170.957.60000110.9D393 Q394 I395T391-D393 PolarHBondContact O-N 3.32Å; T391-D393 VanDerWaalsContact O-N 3.14Å; T391-Q394 PolarHBondContact O-N 2.97Å; T391-Q394 VanDerWaalsContact O-N 3.07Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.42Å; T391-Q394 PolarHBondContact OG1-N 3.41Å; T391-Q394 PolarHBondContact OG1-OE1 3.12Å; T391-Q394 VanDerWaalsContact OG1-OE1 3.11Å; T391-I395 WeakPolarHBondContact O-CG1 3.08Å; T391-I395 PolarHBondContact O-N 3.13Å
392A47.1Very low42.4Very low87 Ų8770.6 Ų70.672%0.71938%0.382SS*.Hα-helixtrans-54.1-34.1177.200000112.9G396A392-G396 PolarHBondContact O-N 3.01Å
393D47Very low42.4Very low114 Ų11472.1 Ų72.161%0.6139%0.388SS*.Hα-helixtrans-70.8-41.6178.1-15958.9000112.2T391 I395 G396 Q397T391-D393 PolarHBondContact O-N 3.32Å; T391-D393 VanDerWaalsContact O-N 3.14Å; D393-I395 VanDerWaalsContact C-N 3.35Å; D393-I395 PolarHBondContact O-N 2.91Å; D393-G396 CarbonylContact O-C 3.58Å; D393-G396 WeakPolarHBondContact O-CA 3.49Å; D393-G396 PolarHBondContact O-N 3.19Å; D393-G396 VanDerWaalsContact O-N 3.12Å; D393-Q397 WeakPolarHBondContact O-CG 3.37Å; D393-Q397 PolarHBondContact O-N 3.2Å; D393-Q397 PolarHBondContact OD2-NE2 2.91Å
394Q46.2Very low42.3Very low84 Ų8474.3 Ų74.339%0.39341%0.408SS..Hα-helixtrans-64.2-40.1173.9-72.2169.5-36.500111.9L390 T391 G396 Q397 I398L390-Q394 HydrophobicContact CB-CB 4.24Å; L390-Q394 HydrophobicContact CD2-CB 4Å; T391-Q394 PolarHBondContact O-N 2.97Å; T391-Q394 VanDerWaalsContact O-N 3.07Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.42Å; T391-Q394 PolarHBondContact OG1-N 3.41Å; T391-Q394 PolarHBondContact OG1-OE1 3.12Å; T391-Q394 VanDerWaalsContact OG1-OE1 3.11Å; Q394-G396 VanDerWaalsContact C-N 3.3Å; Q394-Q397 PolarHBondContact O-N 3.02Å; Q394-I398 WeakPolarHBondContact O-CB 3.43Å; Q394-I398 VanDerWaalsContact O-CG1 3.27Å; Q394-I398 WeakPolarHBondContact O-CG1 3.42Å; Q394-I398 PolarHBondContact O-N 2.93Å
395I41.7Very low42.1Very low43 Ų4376.2 Ų76.222%0.22143%0.425CS..Hα-helixtrans-60.8-44.1171.8-64.7168.3000109.5I386 L390 T391 D393 Q397 I398 T399I386-I395 HydrophobicContact CD1-CD1 4.31Å; I386-I395 HydrophobicContact CD1-CG1 4.38Å; I386-I395 HydrophobicContact CD1-CG2 3.79Å; I386-I395 HydrophobicContact CG2-CD1 3.76Å; I386-I395 HydrophobicContact CG2-CG1 3.9Å; L390-I395 HydrophobicContact CB-CD1 4.43Å; L390-I395 HydrophobicContact CB-CG1 3.89Å; T391-I395 WeakPolarHBondContact O-CG1 3.08Å; T391-I395 PolarHBondContact O-N 3.13Å; D393-I395 VanDerWaalsContact C-N 3.35Å; D393-I395 PolarHBondContact O-N 2.91Å; I395-Q397 PolarHBondContact O-N 2.76Å; I395-I398 PolarHBondContact O-N 2.81Å; I395-T399 VanDerWaalsContact O-CB 3.29Å; I395-T399 WeakPolarHBondContact O-CB 3.2Å; I395-T399 PolarHBondContact O-N 3.28Å; I395-T399 PolarHBondContact O-OG1 3.1Å
396G45.5Very low42Very low39 Ų3984.6 Ų84.640%0.40246%0.464SS..Hα-helixtrans-57-45.2175.100000112.8A392 D393 Q394 T399 A400A392-G396 PolarHBondContact O-N 3.01Å; D393-G396 CarbonylContact O-C 3.58Å; D393-G396 WeakPolarHBondContact O-CA 3.49Å; D393-G396 PolarHBondContact O-N 3.19Å; D393-G396 VanDerWaalsContact O-N 3.12Å; Q394-G396 VanDerWaalsContact C-N 3.3Å; G396-T399 PolarHBondContact O-N 2.94Å; G396-A400 VanDerWaalsContact O-CB 3.23Å; G396-A400 WeakPolarHBondContact O-CB 3.36Å; G396-A400 PolarHBondContact O-N 3.21Å
397Q48.1Very low41.5Very low116 Ų11689 Ų8954%0.54249%0.487SS..Hα-helixtrans-67.4-41.8178.3-68.7175.82300112.9D393 Q394 I395 A400 K401D393-Q397 WeakPolarHBondContact O-CG 3.37Å; D393-Q397 PolarHBondContact O-N 3.2Å; D393-Q397 PolarHBondContact OD2-NE2 2.91Å; Q394-Q397 PolarHBondContact O-N 3.02Å; I395-Q397 PolarHBondContact O-N 2.76Å; Q397-A400 PolarHBondContact O-N 3.21Å; Q397-K401 PolarHBondContact O-N 3.29Å
398I43.8Very low41Very low63 Ų6395.5 Ų95.532%0.32352%0.522SS..Hα-helixtrans-63.3-47.7175.5-71166.2000109.5L390 Q394 I395 A400 K401 F402L390-I398 HydrophobicContact CD1-CD1 3.61Å; L390-I398 HydrophobicContact CD2-CD1 4.39Å; Q394-I398 WeakPolarHBondContact O-CB 3.43Å; Q394-I398 VanDerWaalsContact O-CG1 3.27Å; Q394-I398 WeakPolarHBondContact O-CG1 3.42Å; Q394-I398 PolarHBondContact O-N 2.93Å; I395-I398 PolarHBondContact O-N 2.81Å; I398-A400 VanDerWaalsContact C-N 3.3Å; I398-A400 PolarHBondContact O-N 3.09Å; I398-K401 WeakPolarHBondContact O-CB 3.41Å; I398-K401 PolarHBondContact O-N 2.91Å; I398-F402 HydrophobicContact CG2-CD2 3.57Å; I398-F402 HydrophobicContact CG2-CE2 3.35Å; I398-F402 WeakPolarHBondContact O-CD2 3.43Å; I398-F402 PolarHBondContact O-N 3.02Å
399T40.1Very low40.6Very low29 Ų2995.3 Ų95.318%0.17852%0.516CS..Hα-helixtrans-61.3-40.2177.4-49.50000110.9I395 G396 F402 L403 L427 I429I395-T399 VanDerWaalsContact O-CB 3.29Å; I395-T399 WeakPolarHBondContact O-CB 3.2Å; I395-T399 PolarHBondContact O-N 3.28Å; I395-T399 PolarHBondContact O-OG1 3.1Å; G396-T399 PolarHBondContact O-N 2.94Å; T399-F402 PolarHBondContact O-N 2.73Å; T399-L403 HydrophobicContact CG2-CD1 4Å; T399-L403 WeakPolarHBondContact O-CB 3.43Å; T399-L403 PolarHBondContact O-N 3.05Å; T399-L427 HydrophobicContact CG2-CD2 4.47Å; T399-I429 HydrophobicContact CG2-CD1 4.09Å
400A43.3Very low39.9Very low56 Ų5691 Ų9146%0.46351%0.512SS..Hα-helixtrans-65.1-40.5175.400000112.3G396 Q397 I398 F402 L403 S404G396-A400 VanDerWaalsContact O-CB 3.23Å; G396-A400 WeakPolarHBondContact O-CB 3.36Å; G396-A400 PolarHBondContact O-N 3.21Å; Q397-A400 PolarHBondContact O-N 3.21Å; I398-A400 VanDerWaalsContact C-N 3.3Å; I398-A400 PolarHBondContact O-N 3.09Å; A400-F402 VanDerWaalsContact C-N 3.34Å; A400-L403 PolarHBondContact O-N 3.38Å; A400-S404 PolarHBondContact O-N 2.92Å; A400-S404 VanDerWaalsContact O-N 3.1Å
401K42.4Very low38.9Very low167 Ų16794.7 Ų94.773%0.72653%0.532SS*.Hα-helixtrans-60.6-42.7171.1-87.6-176.3174-179.20111.5Q397 I398 S404Q397-K401 PolarHBondContact O-N 3.29Å; I398-K401 WeakPolarHBondContact O-CB 3.41Å; I398-K401 PolarHBondContact O-N 2.91Å; K401-S404 PolarHBondContact O-N 3.44Å; K401-S404 PolarHBondContact O-OG 3.17Å
402F39.7Very low37.9Very low85 Ų8598.7 Ų98.737%0.37354%0.54SS..Hα-helixtrans-67.4-40.4176.7-79.2-67.2000112.9C384 I398 T399 A400 S404 A405C384-F402 VanDerWaalsContact SG-CE2 3.59Å; I398-F402 HydrophobicContact CG2-CD2 3.57Å; I398-F402 HydrophobicContact CG2-CE2 3.35Å; I398-F402 WeakPolarHBondContact O-CD2 3.43Å; I398-F402 PolarHBondContact O-N 3.02Å; T399-F402 PolarHBondContact O-N 2.73Å; A400-F402 VanDerWaalsContact C-N 3.34Å; F402-S404 PolarHBondContact O-N 3.28Å; F402-A405 WeakPolarHBondContact O-CB 3.49Å; F402-A405 PolarHBondContact O-N 2.84Å; F402-A405 VanDerWaalsContact O-N 3.12Å
403L37.7Very low36.9Very low90 Ų90100.7 Ų100.747%0.47154%0.543SS..Hα-helixtrans-63.7-22.7174.6-86.7152.9000113T399 A400 A405 L435T399-L403 HydrophobicContact CG2-CD1 4Å; T399-L403 WeakPolarHBondContact O-CB 3.43Å; T399-L403 PolarHBondContact O-N 3.05Å; A400-L403 PolarHBondContact O-N 3.38Å; L403-A405 VanDerWaalsContact C-N 3.29Å; L403-L435 HydrophobicContact CD2-CD1 4.22Å; L403-L435 HydrophobicContact CD2-CD2 3.78Å
404S35.6Very low35.9Very low91 Ų91104.1 Ų104.164%0.63655%0.553SS**THydrogen-bonded Turntrans-77.9-10175.8730000114.1A400 K401 F402 Q406A400-S404 PolarHBondContact O-N 2.92Å; A400-S404 VanDerWaalsContact O-N 3.1Å; K401-S404 PolarHBondContact O-N 3.44Å; K401-S404 PolarHBondContact O-OG 3.17Å; F402-S404 PolarHBondContact O-N 3.28Å; S404-Q406 PolarHBondContact O-N 3.14Å
405A33.4Very low35Very low56 Ų56102.3 Ų102.346%0.46356%0.556SS.*SBendtrans-80100172.400000109.8F402 L403 L407F402-A405 WeakPolarHBondContact O-CB 3.49Å; F402-A405 PolarHBondContact O-N 2.84Å; F402-A405 VanDerWaalsContact O-N 3.12Å; L403-A405 VanDerWaalsContact C-N 3.29Å; A405-L407 PolarHBondContact O-N 3.4Å
406Q32.9Very low34.2Very low189 Ų189109.4 Ų109.488%0.88359%0.585SS**  trans-56.6107.5174.9-71.7178.1-70.100110.7S404S404-Q406 PolarHBondContact O-N 3.14Å
407L32.1Very low33.5Very low117 Ų117112.5 Ų112.561%0.61360%0.597SS**  trans-114.6124.6174.9-79.1156.8000109.8A405 I409A405-L407 PolarHBondContact O-N 3.4Å; L407-I409 HydrophobicContact CB-CD1 3.76Å; L407-I409 HydrophobicContact CB-CG1 3.97Å; L407-I409 PolarHBondContact O-N 3.26Å
408N30.2Very low32.7Very low171 Ų171110 Ų11091%0.91460%0.595SS**  trans-78.4103.2172.1-77.9-32.5000109
409I31Very low32Very low89 Ų89116.3 Ų116.346%0.45663%0.626SS.*  trans-136.7116.5-176.6-51.9171.3000110L407L407-I409 HydrophobicContact CB-CD1 3.76Å; L407-I409 HydrophobicContact CB-CG1 3.97Å; L407-I409 PolarHBondContact O-N 3.26Å
410P27.4Very low31.6Very low96 Ų96118.2 Ų118.262%0.62363%0.634SS**  trans-84153.4167.2-9.226.8000113.4Y412P410-Y412 HydrophobicContact CB-CE2 4.48Å
411D22.9Very low31.2Very low127 Ų127123.8 Ų123.868%0.67966%0.655SS**  trans-68132.9-172.5-60.9-44.3000115.2
412Y28Very low30.7Very low164 Ų164117.6 Ų117.664%0.64363%0.632SS**  trans-152.1162.8166-71.4-73.8000113.7Q380 P410Q380-Y412 VanDerWaalsContact CG-O 3.24Å; Q380-Y412 WeakPolarHBondContact CG-O 3.41Å; Q380-Y412 VanDerWaalsContact NE2-C 3.32Å; Q380-Y412 PolarHBondContact NE2-O 3.3Å; Q380-Y412 PolarHBondContact OE1-O 2.98Å; P410-Y412 HydrophobicContact CB-CE2 4.48Å
413T25.7Very low30.4Very low128 Ų128117.4 Ų117.479%0.78565%0.654SS**  trans-116.1139.1-171.544.10000114.7Q380Q380-T413 VanDerWaalsContact NE2-CA 3.32Å; Q380-T413 PolarHBondContact NE2-O 3.03Å
414F26.8Very low30.3Very low187 Ų187116.3 Ų116.382%0.8264%0.644SS**  trans101.9140.9158.5-124.3-95.5000120.1Q380Q380-F414 PolarHBondContact NE2-O 2.88Å
415G26.8Very low30.2Very low45 Ų45118.3 Ų118.346%0.46465%0.646SS.*  trans146.5110.1171.900000113.6
416K25.5Very low30.5Very low192 Ų192118.9 Ų118.984%0.83564%0.638SS**  trans-83.9111178.2-82.6179.3176.5175.40109.9
417V30.1Very low30.7Very low105 Ų105113.1 Ų113.164%0.63661%0.613SS**  trans-63.4133.3171.1177.30000110.2F383F383-V417 HydrophobicContact CE2-CG2 4.01Å; F383-V417 HydrophobicContact CZ-CG2 3.69Å
418A30.9Very low30.9Very low62 Ų62113.6 Ų113.651%0.51261%0.607SS.*  trans-48.8135.3-177.500000113.6I420A418-I420 VanDerWaalsContact C-N 3.32Å; A418-I420 PolarHBondContact O-N 2.88Å
419M29Very low31.4Very low196 Ų196107.5 Ų107.597%0.96657%0.574SS**  trans-76.276.4176.8-69.2-83.6-78.200110.3
420I32.8Very low31.7Very low70 Ų70110.1 Ų110.136%0.35958%0.582SS.*  trans-116.9133.3170.2-59.2177.1000109A418 C422A418-I420 VanDerWaalsContact C-N 3.32Å; A418-I420 PolarHBondContact O-N 2.88Å; I420-C422 PolarHBondContact O-N 2.71Å
421I33.7Very low32.4Very low173 Ų173110.1 Ų110.189%0.88758%0.576SS**  trans-72.697.9175.9-56.5172.4000107.6
422C32.5Very low33.3Very low37 Ų37107.2 Ų107.225%0.2557%0.566CS.*  trans-85136.1172.5-157.20000109.6I420 R424 F426I420-C422 PolarHBondContact O-N 2.71Å; C422-R424 PolarHBondContact O-N 3.42Å; C422-F426 HydrophobicContact CB-CD2 4.45Å; C422-F426 HydrophobicContact CB-CE2 3.73Å; C422-F426 VanDerWaalsContact SG-CE2 3.59Å
423G33.3Very low33.7Very low81 Ų81105.3 Ų105.384%0.83557%0.566SS**SBendtrans-68.73.7177.100000114.5
424R35.2Very low34.4Very low67 Ų67105.1 Ų105.125%0.25356%0.56SS.*SBendtrans-122.7145.5171.4-69.6-158.4178.8-161.94.9111.1C422C422-R424 PolarHBondContact O-N 3.42Å
425L34.7Very low35.1Very low132 Ų13298.9 Ų98.969%0.69154%0.535SS*.  trans-76.8120.1168.4-71.9161.8000108.6I386I386-L425 PolarHBondContact N-O 3.4Å
426F39.4Very low35.5Very low69 Ų6998.1 Ų98.130%0.30352%0.524SS..EExtended strand (participates in β ladder)trans-89130.5166.5-66.3-86.7000109V318 F383 P385 C422 R428V318-F426 HydrophobicContact CG1-CE1 3.73Å; V318-F426 HydrophobicContact CG1-CZ 4.23Å; F383-F426 HydrophobicContact CB-CD1 4.24Å; F383-F426 HydrophobicContact CD1-CB 4.17Å; P385-F426 HydrophobicContact CB-CD1 4.27Å; P385-F426 HydrophobicContact CB-CE1 3.93Å; C422-F426 HydrophobicContact CB-CD2 4.45Å; C422-F426 HydrophobicContact CB-CE2 3.73Å; C422-F426 VanDerWaalsContact SG-CE2 3.59Å; F426-R428 PolarHBondContact O-N 3.29Å
427L36.4Very low35.9Very low67 Ų6791.8 Ų91.835%0.35150%0.504SS..EExtended strand (participates in β ladder)trans-84.3109.1167.7-171.876.1000108.4C384 I386 T399 I429C384-L427 PolarHBondContact O-N 3.26Å; I386-L427 HydrophobicContact CD1-CB 3.48Å; I386-L427 VanDerWaalsContact CD1-CB 3.48Å; I386-L427 HydrophobicContact CD1-CD2 4.23Å; I386-L427 HydrophobicContact CD1-CG 4.31Å; I386-L427 HydrophobicContact CG1-CB 4.17Å; T399-L427 HydrophobicContact CG2-CD2 4.47Å; L427-I429 HydrophobicContact CD2-CD1 4.42Å; L427-I429 HydrophobicContact CD2-CG1 4.05Å; L427-I429 HydrophobicContact CG-CG1 4.24Å; L427-I429 PolarHBondContact O-N 2.66Å
428R36.8Very low36.1Very low127 Ų12791.6 Ų91.648%0.47950%0.499SS..EExtended strand (participates in β ladder)trans-78.2107.4169.9-173.4176.7-179.1-173.61.2108.4A381 F383 F426 F430A381-R428 HydrophobicContact CB-CG 4.48Å; F383-R428 HydrophobicContact CE1-CB 4.29Å; F383-R428 HydrophobicContact CE1-CG 4.2Å; F383-R428 HydrophobicContact CZ-CG 4.5Å; F426-R428 PolarHBondContact O-N 3.29Å; R428-F430 HydrophobicContact CG-CD2 4.21Å; R428-F430 HydrophobicContact CG-CE2 3.9Å; R428-F430 HydrophobicContact CG-CZ 4.39Å; R428-F430 VanDerWaalsContact NE-CZ 3.29Å
429I40.5Very low36.3Very low44 Ų4493.3 Ų93.323%0.22650%0.499CS..EExtended strand (participates in β ladder)trans-87.5111.8175.7-56.6174.6000108.1T399 L427T399-I429 HydrophobicContact CG2-CD1 4.09Å; L427-I429 HydrophobicContact CD2-CD1 4.42Å; L427-I429 HydrophobicContact CD2-CG1 4.05Å; L427-I429 HydrophobicContact CG-CG1 4.24Å; L427-I429 PolarHBondContact O-N 2.66Å
430F37.6Very low36.2Very low143 Ų14390.7 Ų90.763%0.62749%0.488SS*.PPolyproline II helixtrans-85.3125.6170.1-76.3-89.9000109.6R428 S432R428-F430 HydrophobicContact CG-CD2 4.21Å; R428-F430 HydrophobicContact CG-CE2 3.9Å; R428-F430 HydrophobicContact CG-CZ 4.39Å; R428-F430 VanDerWaalsContact NE-CZ 3.29Å; F430-S432 PolarHBondContact O-N 2.97Å
431L42.2Very low36Very low96 Ų9694 Ų9450%0.50351%0.506SS..PPolyproline II helixtrans-75.8120.3168.1-84.998.1000109.3L435L431-L435 HydrophobicContact CG-CD2 4.48Å
432S41.1Very low35.8Very low66 Ų6695.2 Ų95.246%0.46251%0.505SS..PPolyproline II helixtrans-85.6150.8170.966.40000110.9F430 L434 L435 A436F430-S432 PolarHBondContact O-N 2.97Å; S432-L434 PolarHBondContact O-N 2.88Å; S432-L435 WeakPolarHBondContact O-CB 3.24Å; S432-L435 PolarHBondContact O-N 3.42Å; S432-L435 PolarHBondContact OG-N 3.3Å; S432-A436 PolarHBondContact O-N 3.49Å; S432-A436 VanDerWaalsContact O-N 3.08Å
433L36.5Very low35.6Very low124 Ų12496.6 Ų96.665%0.64953%0.525SS*.Hα-helixtrans-54.2-37.2175-166.175.1000112.1L435 A436 C437L433-L435 VanDerWaalsContact C-N 3.35Å; L433-L435 PolarHBondContact O-N 3.46Å; L433-A436 WeakPolarHBondContact O-CB 3.37Å; L433-A436 PolarHBondContact O-N 2.78Å; L433-C437 PolarHBondContact O-N 3Å; L433-C437 PolarHBondContact O-SG 3.28Å
434L41.6Very low35.3Very low124 Ų12499.8 Ų99.865%0.64952%0.518SS*.Hα-helixtrans-63.3-38.7176.3-175.568.7000112.5S432 N438S432-L434 PolarHBondContact O-N 2.88Å; L434-N438 PolarHBondContact O-N 3.34Å; L434-N438 VanDerWaalsContact O-N 3.17Å; L434-N438 PolarHBondContact O-ND2 3.28Å
435L41Very low34.9Very low57 Ų57101 Ų10130%0.29855%0.551SS.*Hα-helixtrans-67.8-41.6175.9-17168.5000110.3L403 L431 S432 L433 N438 L439L403-L435 HydrophobicContact CD2-CD1 4.22Å; L403-L435 HydrophobicContact CD2-CD2 3.78Å; L431-L435 HydrophobicContact CG-CD2 4.48Å; S432-L435 WeakPolarHBondContact O-CB 3.24Å; S432-L435 PolarHBondContact O-N 3.42Å; S432-L435 PolarHBondContact OG-N 3.3Å; L433-L435 VanDerWaalsContact C-N 3.35Å; L433-L435 PolarHBondContact O-N 3.46Å; L435-N438 PolarHBondContact O-N 3.35Å; L435-L439 HydrophobicContact CG-CD1 4.36Å; L435-L439 WeakPolarHBondContact O-CD1 3.43Å; L435-L439 VanDerWaalsContact O-CG 3.25Å; L435-L439 WeakPolarHBondContact O-CG 3.23Å; L435-L439 PolarHBondContact O-N 2.85Å
436A34.5Very low34.6Very low29 Ų29100.3 Ų100.324%0.2455%0.547CS..Hα-helixtrans-62.6-45.3175.600000112.5S432 L433 N438 L439 L440S432-A436 PolarHBondContact O-N 3.49Å; S432-A436 VanDerWaalsContact O-N 3.08Å; L433-A436 WeakPolarHBondContact O-CB 3.37Å; L433-A436 PolarHBondContact O-N 2.78Å; A436-N438 PolarHBondContact O-N 3.17Å; A436-L439 PolarHBondContact O-N 3.28Å; A436-L440 PolarHBondContact O-N 2.86Å
437C33.3Very low34.1Very low59 Ų59108.3 Ų108.340%0.39958%0.575SS.*Hα-helixtrans-63.3-40.6178.8-69.20000112.9L433 L439 L440 L441L433-C437 PolarHBondContact O-N 3Å; L433-C437 PolarHBondContact O-SG 3.28Å; C437-L439 PolarHBondContact O-N 3.45Å; C437-L440 PolarHBondContact O-N 3.32Å; C437-L441 PolarHBondContact O-N 3.23Å
438N35.6Very low33.8Very low101 Ų101112 Ų11254%0.5460%0.595SS.*Hα-helixtrans-66-26.1177.1-81.9-39.5000112.9L434 L435 A436L434-N438 PolarHBondContact O-N 3.34Å; L434-N438 VanDerWaalsContact O-N 3.17Å; L434-N438 PolarHBondContact O-ND2 3.28Å; L435-N438 PolarHBondContact O-N 3.35Å; A436-N438 PolarHBondContact O-N 3.17Å
439L33.9Very low33.5Very low97 Ų97111 Ų11151%0.50861%0.608SS.*Hα-helixtrans-80.7-32.7178.4-68.5167.3000112.3L435 A436 C437L435-L439 HydrophobicContact CG-CD1 4.36Å; L435-L439 WeakPolarHBondContact O-CD1 3.43Å; L435-L439 VanDerWaalsContact O-CG 3.25Å; L435-L439 WeakPolarHBondContact O-CG 3.23Å; L435-L439 PolarHBondContact O-N 2.85Å; A436-L439 PolarHBondContact O-N 3.28Å; C437-L439 PolarHBondContact O-N 3.45Å
440L27.9Very low33.3Very low142 Ų142114.4 Ų114.474%0.74363%0.63SS**Hα-helixtrans-69.4-37176-78.6163000112.8A436 C437 K442 G443A436-L440 PolarHBondContact O-N 2.86Å; C437-L440 PolarHBondContact O-N 3.32Å; L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 3.48Å; L440-G443 PolarHBondContact O-N 3.04Å
441L29.4Very low32.9Very low140 Ų140111.6 Ų111.673%0.73363%0.627SS**THydrogen-bonded Turntrans-76.4-5.9-172.8-76.2167.1000115.3C437C437-L441 PolarHBondContact O-N 3.23Å
442K28.2Very low32.6Very low197 Ų197114.5 Ų114.586%0.85764%0.638SS**THydrogen-bonded Turntrans-93.9-1.4173.8-83-174.1176178.70114.6L440L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 3.48Å
443G27.8Very low32.4Very low66 Ų66119 Ų11968%0.6865%0.652SS**SBendtrans-75.7-21.5178.500000115.1L440L440-G443 PolarHBondContact O-N 3.04Å
444Q28.2Very low32.2Very low149 Ų149117.1 Ų117.170%0.69665%0.645SS**SBendtrans-139.8129.1-176.6-63.6-156.8-8.800111.7I446Q444-I446 HydrophobicContact CB-CD1 4.3Å; Q444-I446 HydrophobicContact CB-CG1 4.24Å; Q444-I446 PolarHBondContact O-N 3.48Å
445G27.2Very low31.8Very low91 Ų91115.4 Ų115.494%0.93864%0.639SS**  trans-69.356.3175.900000113.1
446I28.2Very low31.5Very low119 Ų119120 Ų12061%0.6166%0.657SS**  trans-104.898.2174.3-56.9177.2000106.7Q444 N448Q444-I446 HydrophobicContact CB-CD1 4.3Å; Q444-I446 HydrophobicContact CB-CG1 4.24Å; Q444-I446 PolarHBondContact O-N 3.48Å; I446-N448 PolarHBondContact O-N 3.32Å; I446-N448 VanDerWaalsContact O-N 3.09Å
447R27.4Very low31.4Very low236 Ų236122.8 Ų122.889%0.89168%0.68SS**  trans-49.1112.1154.6-75.5177.6171.9-168-2.5106.8
448N30.4Very low31.2Very low144 Ų144125 Ų12577%0.7770%0.695SS**  trans-160130.5145.6-86.8-28.8000108.5I446I446-N448 PolarHBondContact O-N 3.32Å; I446-N448 VanDerWaalsContact O-N 3.09Å
449S32.1Very low30.9Very low108 Ų108129.6 Ų129.676%0.75571%0.705SS**  trans-37138.6179.3440000115
450V34.5Very low30.8Very low114 Ų114135.9 Ų135.969%0.69172%0.721SS**  trans-51122.9166.2179.90000108.9E452V450-E452 PolarHBondContact O-N 3.49Å
451P30.6Very low31.2Very low84 Ų84135.1 Ų135.155%0.54573%0.725SS.*  trans-59.8128.3179.4-2332.5000111.1E453 V454P451-E453 PolarHBondContact O-N 2.86Å; P451-V454 WeakPolarHBondContact O-CB 3.07Å; P451-V454 PolarHBondContact O-N 3.47Å
452E36Very low31.5Very low158 Ų158137.9 Ų137.974%0.73873%0.731SS**Hα-helixtrans-55.9-21.2176.1-93.4-169147.200113.4V450 V454 V455 K456V450-E452 PolarHBondContact O-N 3.49Å; E452-V454 PolarHBondContact O-N 3.1Å; E452-V455 PolarHBondContact O-N 2.95Å; E452-V455 VanDerWaalsContact O-N 3.09Å; E452-K456 PolarHBondContact O-N 2.99Å
453E35.9Very low31.8Very low161 Ų161132.1 Ų132.175%0.75273%0.728SS**Hα-helixtrans-61.3-31.2174.2-69.6-167.5156.100112.8P451 V455 K456 A457P451-E453 PolarHBondContact O-N 2.86Å; E453-V455 VanDerWaalsContact C-N 3.31Å; E453-V455 PolarHBondContact O-N 2.89Å; E453-K456 PolarHBondContact O-N 2.93Å; E453-A457 PolarHBondContact O-N 3.14Å
454V31.9Very low32Very low84 Ų84138.2 Ų138.251%0.50974%0.735SS.*Hα-helixtrans-67.3-34.1175.3-177.90000110.9P451 E452 K456P451-V454 WeakPolarHBondContact O-CB 3.07Å; P451-V454 PolarHBondContact O-N 3.47Å; E452-V454 PolarHBondContact O-N 3.1Å; V454-K456 VanDerWaalsContact C-N 3.33Å
455V34.6Very low31.9Very low88 Ų88134.3 Ų134.353%0.53374%0.736SS.*Hα-helixtrans-71.3-31.3176-177.60000111.2E452 E453E452-V455 PolarHBondContact O-N 2.95Å; E452-V455 VanDerWaalsContact O-N 3.09Å; E453-V455 VanDerWaalsContact C-N 3.31Å; E453-V455 PolarHBondContact O-N 2.89Å
456K34.2Very low32.1Very low153 Ų153139.3 Ų139.367%0.66573%0.731SS**Hα-helixtrans-75.9-37.7176.9-77.4-179.6179.81700112.8E452 E453 V454 C458 R459E452-K456 PolarHBondContact O-N 2.99Å; E453-K456 PolarHBondContact O-N 2.93Å; V454-K456 VanDerWaalsContact C-N 3.33Å; K456-C458 VanDerWaalsContact C-N 3.26Å; K456-C458 PolarHBondContact O-N 3.46Å; K456-R459 PolarHBondContact O-N 2.84Å; K456-R459 VanDerWaalsContact O-N 3.13Å
457A32.2Very low32.3Very low87 Ų87145 Ų14572%0.71976%0.761SS**Hα-helixtrans-65.9-26.6179.700000113.4E453 R459E453-A457 PolarHBondContact O-N 3.14Å; A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.17Å
458C29Very low32.5Very low105 Ų105140.5 Ų140.571%0.70975%0.754SS**THydrogen-bonded Turntrans-78.1-6.7175.6-66.70000114.4K456 R460K456-C458 VanDerWaalsContact C-N 3.26Å; K456-C458 PolarHBondContact O-N 3.46Å; C458-R460 PolarHBondContact O-N 3.29Å; C458-R460 VanDerWaalsContact O-N 3.11Å
459R30Very low32.7Very low199 Ų199140.3 Ų140.375%0.75175%0.754SS**SBendtrans-83.290.9173.5-69.1-171.8178.5-171.50.8109.3K456 A457K456-R459 PolarHBondContact O-N 2.84Å; K456-R459 VanDerWaalsContact O-N 3.13Å; A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.17Å
460R31.7Very low32.7Very low228 Ų228142.1 Ų142.186%0.8675%0.753SS**  trans-43127.9166.6-81.2-178.7173.2170.2-2.1109.4C458 K462C458-R460 PolarHBondContact O-N 3.29Å; C458-R460 VanDerWaalsContact O-N 3.11Å; R460-K462 PolarHBondContact O-N 2.9Å; R460-K462 VanDerWaalsContact O-N 3.09Å
461P35.3Very low32.6Very low127 Ų127143.8 Ų143.883%0.82576%0.757SS**  trans-58.5121.5172.921.9-28.8000107.7G463P461-G463 PolarHBondContact O-N 2.76Å
462K36.1Very low32.7Very low198 Ų198147.5 Ų147.586%0.86177%0.77SS**  trans-64.683169.4-74.3-174.3176.4-178.20107.4R460 K464R460-K462 PolarHBondContact O-N 2.9Å; R460-K462 VanDerWaalsContact O-N 3.09Å; K462-K464 PolarHBondContact O-N 2.78Å
463G33.7Very low32.5Very low76 Ų76146.8 Ų146.878%0.78477%0.773SS**  trans-64.984.9164.500000108.2P461 G465P461-G463 PolarHBondContact O-N 2.76Å; G463-G465 PolarHBondContact O-N 3.32Å
464K32.6Very low32.2Very low193 Ų193145.8 Ų145.884%0.83977%0.774SS**  trans-60.3125.2160.6-76.2-176.9174.2-178.60106.5K462K462-K464 PolarHBondContact O-N 2.78Å
465G26.6Very low32.3Very low68 Ų68150.5 Ų150.570%0.70179%0.794SS**  trans-67.7-179.3-169.400000114.9G463G463-G465 PolarHBondContact O-N 3.32Å
466K31.5Very low32.1Very low195 Ų195155.8 Ų155.885%0.84882%0.816SS**  trans-173.2117.8143.9-105.2171.2-178.2-172.20107
467I31.9Very low31.9Very low240 Ų240156 Ų156100%1.23183%0.83SS**  trans74.40153.7-50.2172.3000115.6

Retrieved 467 of 467 residues in 104.8 ms (Link to these results)

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