A0A087X4G6_POEFO Loading...

O-phosphoseryl-tRNA(Sec) selenium transferase

Converts O-phosphoseryl-tRNA(Sec) to selenocysteinyl-tRNA(Sec) required for selenoprotein biosynthesis.

AlphaFold DB , UniProt , Accession A0A087X4G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 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
1M79.9Confident92.3Very high144 Ų14487.8 Ų87.871%0.70946%0.464SS*.  0124.80-73.6-169.4-131.100108.1N5M1-N5 HydrophobicContact CB-CB 4Å; M1-N5 HydrophobicContact CG-CB 4.24Å
2N88.1Confident92.5Very high79 Ų7990.9 Ų90.942%0.42249%0.489SS..  trans-84.1177.9172.668.51.2000111.2E4 N5 V6N2-E4 VanDerWaalsContact C-N 3.31Å; N2-E4 PolarHBondContact O-N 3.46Å; N2-E4 PolarHBondContact OD1-N 2.91Å; N2-N5 PolarHBondContact N-ND2 3.26Å; N2-N5 WeakPolarHBondContact O-CB 3.2Å; N2-N5 PolarHBondContact O-N 3.3Å; N2-N5 WeakPolarHBondContact OD1-CB 3.36Å; N2-N5 PolarHBondContact OD1-N 3.29Å; N2-N5 PolarHBondContact OD1-ND2 2.97Å; N2-V6 WeakPolarHBondContact O-CG2 3.19Å; N2-V6 PolarHBondContact O-N 2.81Å; N2-V6 VanDerWaalsContact O-N 3.14Å
3S90.5Very high92.7Very high93 Ų9389.5 Ų89.565%0.6549%0.486SS*.Hα-helixtrans-56-42.2179.746.10000113.1N5 V6 T7S3-N5 PolarHBondContact O-N 3.16Å; S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 PolarHBondContact O-N 3.43Å; S3-T7 PolarHBondContact O-N 3.37Å; S3-T7 PolarHBondContact O-OG1 3.39Å
4E94.5Very high92.9Very high133 Ų13387.7 Ų87.762%0.62148%0.483SS*.Hα-helixtrans-61.6-43.4177.9-64.6173.3170.300112.1N2 V6 T7 L8N2-E4 VanDerWaalsContact C-N 3.31Å; N2-E4 PolarHBondContact O-N 3.46Å; N2-E4 PolarHBondContact OD1-N 2.91Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 3.36Å; E4-T7 PolarHBondContact O-N 3.47Å; E4-L8 WeakPolarHBondContact O-CG 3.49Å; E4-L8 PolarHBondContact O-N 3.25Å
5N93.7Very high93.1Very high71 Ų7184.9 Ų84.938%0.3847%0.472SS..Hα-helixtrans-60.4-41.2175.2-73.9-50.3000111.4M1 N2 S3 L8 C9M1-N5 HydrophobicContact CB-CB 4Å; M1-N5 HydrophobicContact CG-CB 4.24Å; N2-N5 PolarHBondContact N-ND2 3.26Å; N2-N5 WeakPolarHBondContact O-CB 3.2Å; N2-N5 PolarHBondContact O-N 3.3Å; N2-N5 WeakPolarHBondContact OD1-CB 3.36Å; N2-N5 PolarHBondContact OD1-N 3.29Å; N2-N5 PolarHBondContact OD1-ND2 2.97Å; S3-N5 PolarHBondContact O-N 3.16Å; N5-L8 PolarHBondContact O-N 2.93Å; N5-C9 PolarHBondContact O-N 3.21Å; N5-C9 PolarHBondContact O-SG 3.48Å
6V92.4Very high93.2Very high22 Ų2284.1 Ų84.113%0.13347%0.474CS..Hα-helixtrans-61.3-46.8176.9175.90000110.3N2 S3 E4 L8 C9 E10 I18N2-V6 WeakPolarHBondContact O-CG2 3.19Å; N2-V6 PolarHBondContact O-N 2.81Å; N2-V6 VanDerWaalsContact O-N 3.14Å; S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 PolarHBondContact O-N 3.43Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 3.36Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.75Å; V6-C9 WeakPolarHBondContact O-CB 3.23Å; V6-C9 PolarHBondContact O-N 3.14Å; V6-C9 VanDerWaalsContact O-N 3.14Å; V6-E10 WeakPolarHBondContact O-CG 3.43Å; V6-E10 PolarHBondContact O-N 2.95Å; V6-E10 VanDerWaalsContact O-N 3.1Å; V6-I18 HydrophobicContact CG1-CG2 3.75Å
7T94.3Very high93.3Very high78 Ų7888.6 Ų88.648%0.47948%0.483SS..Hα-helixtrans-60.8-36.2176.6-570000112.6S3 E4 E10S3-T7 PolarHBondContact O-N 3.37Å; S3-T7 PolarHBondContact O-OG1 3.39Å; E4-T7 PolarHBondContact O-N 3.47Å; T7-E10 PolarHBondContact O-N 3.3Å
8L95.9Very high93.5Very high97 Ų9785.7 Ų85.751%0.50847%0.466SS..Hα-helixtrans-68.1-40.7174.4-70172.9000112E4 N5 V6 E10 K11E4-L8 WeakPolarHBondContact O-CG 3.49Å; E4-L8 PolarHBondContact O-N 3.25Å; N5-L8 PolarHBondContact O-N 2.93Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.75Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.08Å; L8-K11 HydrophobicContact CD2-CD 4.47Å; L8-K11 WeakPolarHBondContact O-CB 3.47Å; L8-K11 PolarHBondContact O-N 3.05Å; L8-K11 VanDerWaalsContact O-N 3.1Å
9C94.3Very high93.4Very high43 Ų4389.1 Ų89.129%0.29147%0.472SS..Hα-helixtrans-61.6-34.4175.9-67.70000112.8N5 V6 K11 T12 V13 I18N5-C9 PolarHBondContact O-N 3.21Å; N5-C9 PolarHBondContact O-SG 3.48Å; V6-C9 WeakPolarHBondContact O-CB 3.23Å; V6-C9 PolarHBondContact O-N 3.14Å; V6-C9 VanDerWaalsContact O-N 3.14Å; C9-K11 PolarHBondContact O-N 3.14Å; C9-K11 VanDerWaalsContact O-N 3.16Å; C9-T12 PolarHBondContact O-N 3.25Å; C9-V13 PolarHBondContact O-N 3.1Å; C9-I18 HydrophobicContact CB-CD1 3.89Å; C9-I18 HydrophobicContact CB-CG1 4.13Å; C9-I18 HydrophobicContact CB-CG2 3.95Å
10E95.4Very high93.4Very high41 Ų4191.2 Ų91.219%0.19248%0.479CS..THydrogen-bonded Turntrans-62.1-17.8176.1-66.3-173.4157.400113.3V6 T7 L8 V13 I18 R19V6-E10 WeakPolarHBondContact O-CG 3.43Å; V6-E10 PolarHBondContact O-N 2.95Å; V6-E10 VanDerWaalsContact O-N 3.1Å; T7-E10 PolarHBondContact O-N 3.3Å; L8-E10 VanDerWaalsContact C-N 3.28Å; L8-E10 PolarHBondContact O-N 3.08Å; E10-V13 CarbonylContact C-O 3.05Å; E10-V13 WeakPolarHBondContact CA-O 3.31Å; E10-V13 VanDerWaalsContact O-O 3.1Å; E10-I18 HydrophobicContact CG-CB 4Å; E10-I18 HydrophobicContact CG-CG2 3.71Å; E10-R19 WeakPolarHBondContact OE1-CG 3.46Å; E10-R19 IonicContact OE1-CZ 3.68Å; E10-R19 IonicContact OE1-NE 2.81Å; E10-R19 PolarHBondContact OE1-NE 3.27Å; E10-R19 IonicContact OE1-NH2 3.66Å; E10-R19 IonicContact OE2-NH2 3.76Å
11K95.9Very high93.5Very high165 Ų16589 Ų8972%0.71748%0.478SS*.THydrogen-bonded Turntrans-79.7-19.7173.7-59.8-179.5-179.9178.50112.9L8 C9L8-K11 HydrophobicContact CD2-CD 4.47Å; L8-K11 WeakPolarHBondContact O-CB 3.47Å; L8-K11 PolarHBondContact O-N 3.05Å; L8-K11 VanDerWaalsContact O-N 3.1Å; C9-K11 PolarHBondContact O-N 3.14Å; C9-K11 VanDerWaalsContact O-N 3.16Å
12T95.5Very high94.1Very high125 Ų12583.4 Ų83.477%0.76745%0.453SS*.THydrogen-bonded Turntrans-105.1-36.7-175.6-50.10000112.1C9C9-T12 PolarHBondContact O-N 3.25Å
13V94.6Very high94.3Very high73 Ų7385.7 Ų85.744%0.44246%0.461SS..SBendtrans-124.8148.8179.3179.40000108.5C9 E10 S15 I18C9-V13 PolarHBondContact O-N 3.1Å; E10-V13 CarbonylContact C-O 3.05Å; E10-V13 WeakPolarHBondContact CA-O 3.31Å; E10-V13 VanDerWaalsContact O-O 3.1Å; V13-S15 PolarHBondContact O-N 3.35Å; V13-I18 HydrophobicContact CB-CD1 3.85Å; V13-I18 HydrophobicContact CB-CG1 3.82Å; V13-I18 HydrophobicContact CG1-CD1 4.1Å; V13-I18 HydrophobicContact CG1-CG1 4.1Å; V13-I18 HydrophobicContact CG2-CD1 4.43Å
14S96.1Very high94.5Very high64 Ų6484.3 Ų84.345%0.44846%0.455SS..  trans-44.5129.5178.3177.90000112.3S16 Y17 I18S14-S16 PolarHBondContact O-N 3.19Å; S14-S16 PolarHBondContact OG-OG 3.41Å; S14-S16 VanDerWaalsContact OG-OG 3.04Å; S14-Y17 PolarHBondContact O-N 3.25Å; S14-Y17 VanDerWaalsContact O-N 3.07Å; S14-I18 PolarHBondContact O-N 3.1Å
15S95.2Very high94.6Very high45 Ų4581.1 Ų81.132%0.31544%0.437SS..Hα-helixtrans-58.3-34.7-175.7-42.40000112.5V13 Y17 I18 R19V13-S15 PolarHBondContact O-N 3.35Å; S15-Y17 VanDerWaalsContact C-N 3.34Å; S15-Y17 PolarHBondContact O-N 2.96Å; S15-I18 PolarHBondContact O-N 3.37Å; S15-R19 WeakPolarHBondContact O-CB 3.48Å; S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 3.13Å
16S94.8Very high94.6Very high72 Ų7283.1 Ų83.150%0.50344%0.44SS..Hα-helixtrans-59.7-43.5177.656.50000112.2S14 Q20S14-S16 PolarHBondContact O-N 3.19Å; S14-S16 PolarHBondContact OG-OG 3.41Å; S14-S16 VanDerWaalsContact OG-OG 3.04Å; S16-Q20 PolarHBondContact O-N 3.49Å; S16-Q20 VanDerWaalsContact O-N 3.15Å
17Y95.3Very high94.8Very high161 Ų16183.6 Ų83.663%0.63145%0.449SS*.Hα-helixtrans-73.1-39.7-179.8-61.5-41.4000112.4S14 S15 R19 Q20 G21S14-Y17 PolarHBondContact O-N 3.25Å; S14-Y17 VanDerWaalsContact O-N 3.07Å; S15-Y17 VanDerWaalsContact C-N 3.34Å; S15-Y17 PolarHBondContact O-N 2.96Å; Y17-R19 PolarHBondContact O-N 2.97Å; Y17-Q20 PolarHBondContact O-N 3.47Å; Y17-G21 PolarHBondContact O-N 3.25Å
18I96.1Very high95Very high36 Ų3682.3 Ų82.319%0.18544%0.438CS..Hα-helixtrans-64.4-40.5175.9-67.6-58000111.4V6 C9 E10 V13 S14 S15 Q20 G21 S22V6-I18 HydrophobicContact CG1-CG2 3.75Å; C9-I18 HydrophobicContact CB-CD1 3.89Å; C9-I18 HydrophobicContact CB-CG1 4.13Å; C9-I18 HydrophobicContact CB-CG2 3.95Å; E10-I18 HydrophobicContact CG-CB 4Å; E10-I18 HydrophobicContact CG-CG2 3.71Å; V13-I18 HydrophobicContact CB-CD1 3.85Å; V13-I18 HydrophobicContact CB-CG1 3.82Å; V13-I18 HydrophobicContact CG1-CD1 4.1Å; V13-I18 HydrophobicContact CG1-CG1 4.1Å; V13-I18 HydrophobicContact CG2-CD1 4.43Å; S14-I18 PolarHBondContact O-N 3.1Å; S15-I18 PolarHBondContact O-N 3.37Å; I18-Q20 PolarHBondContact O-N 2.99Å; I18-G21 PolarHBondContact O-N 3.49Å; I18-S22 WeakPolarHBondContact O-CB 3.46Å; I18-S22 PolarHBondContact O-N 3.21Å
19R92.1Very high95Very high150 Ų15081.5 Ų81.557%0.56643%0.431SS*.Hα-helixtrans-62.7-41.9175.6-73.8173.3-173-172.62.2112.2E10 S15 Y17 S22 Q23E10-R19 WeakPolarHBondContact OE1-CG 3.46Å; E10-R19 IonicContact OE1-CZ 3.68Å; E10-R19 IonicContact OE1-NE 2.81Å; E10-R19 PolarHBondContact OE1-NE 3.27Å; E10-R19 IonicContact OE1-NH2 3.66Å; E10-R19 IonicContact OE2-NH2 3.76Å; S15-R19 WeakPolarHBondContact O-CB 3.48Å; S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 3.13Å; Y17-R19 PolarHBondContact O-N 2.97Å; R19-S22 PolarHBondContact O-N 3.46Å; R19-Q23 WeakPolarHBondContact O-CB 3.45Å; R19-Q23 PolarHBondContact O-N 3.38Å
20Q94.4Very high95.1Very high132 Ų13286 Ų8662%0.61745%0.448SS*.Hα-helixtrans-61.4-45.8174.5-174.3-179.7-0.300111.3S16 Y17 I18 S22 Q23 A24S16-Q20 PolarHBondContact O-N 3.49Å; S16-Q20 VanDerWaalsContact O-N 3.15Å; Y17-Q20 PolarHBondContact O-N 3.47Å; I18-Q20 PolarHBondContact O-N 2.99Å; Q20-S22 PolarHBondContact O-N 2.89Å; Q20-Q23 WeakPolarHBondContact O-CB 3.37Å; Q20-Q23 PolarHBondContact O-N 2.86Å; Q20-A24 PolarHBondContact O-N 3.28Å
21G93.9Very high95.3Very high44 Ų4487.5 Ų87.545%0.45446%0.457SS..Hα-helixtrans-61.4-42.7175.600000113.2Y17 I18 Q23 A24 R25Y17-G21 PolarHBondContact O-N 3.25Å; I18-G21 PolarHBondContact O-N 3.49Å; G21-Q23 VanDerWaalsContact C-N 3.32Å; G21-Q23 PolarHBondContact O-N 3.49Å; G21-A24 PolarHBondContact O-N 3.49Å; G21-R25 PolarHBondContact O-N 2.98Å
22S93.2Very high95.4Very high27 Ų2780.8 Ų80.819%0.18943%0.428CS..Hα-helixtrans-61.6-40.2173.81770000111.9I18 R19 Q20 R25 R26I18-S22 WeakPolarHBondContact O-CB 3.46Å; I18-S22 PolarHBondContact O-N 3.21Å; R19-S22 PolarHBondContact O-N 3.46Å; Q20-S22 PolarHBondContact O-N 2.89Å; S22-R25 PolarHBondContact O-N 3.29Å; S22-R26 PolarHBondContact O-N 3.15Å; S22-R26 VanDerWaalsContact O-N 3.08Å; S22-R26 PolarHBondContact OG-NH1 3.42Å; S22-R26 VanDerWaalsContact OG-NH1 3.13Å
23Q92.8Very high95.5Very high128 Ų12883.9 Ų83.960%0.59843%0.426SS*.Hα-helixtrans-64.2-40.4175.7-172.9172.4-0.100112.4R19 Q20 G21 R25 R26 G27R19-Q23 WeakPolarHBondContact O-CB 3.45Å; R19-Q23 PolarHBondContact O-N 3.38Å; Q20-Q23 WeakPolarHBondContact O-CB 3.37Å; Q20-Q23 PolarHBondContact O-N 2.86Å; G21-Q23 VanDerWaalsContact C-N 3.32Å; G21-Q23 PolarHBondContact O-N 3.49Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R25 PolarHBondContact O-N 3.5Å; Q23-R26 WeakPolarHBondContact O-CB 3.46Å; Q23-R26 PolarHBondContact O-N 2.99Å; Q23-G27 PolarHBondContact O-N 2.93Å
24A94.7Very high95.6Very high63 Ų6384.8 Ų84.852%0.52143%0.425SS..Hα-helixtrans-61.3-42.6174.100000111.6Q20 G21 R26 G27 H28Q20-A24 PolarHBondContact O-N 3.28Å; G21-A24 PolarHBondContact O-N 3.49Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 3.43Å; A24-G27 PolarHBondContact O-N 3.07Å; A24-G27 VanDerWaalsContact O-N 3.14Å; A24-H28 PolarHBondContact O-CD2 3.16Å
25R95.1Very high95.7Very high66 Ų6681.9 Ų81.925%0.24941%0.405CS..Hα-helixtrans-59.2-41174.8-175.9178169.991.3-0.2112.5G21 S22 Q23 G27 H28 E29 E57G21-R25 PolarHBondContact O-N 2.98Å; S22-R25 PolarHBondContact O-N 3.29Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R25 PolarHBondContact O-N 3.5Å; R25-G27 PolarHBondContact O-N 2.98Å; R25-H28 WeakPolarHBondContact O-CB 3.43Å; R25-H28 PolarHBondContact O-N 3.18Å; R25-E29 HydrophobicContact CG-CG 4.46Å; R25-E29 IonicContact CZ-OE1 3.43Å; R25-E29 IonicContact NE-OE1 3.94Å; R25-E29 PolarHBondContact NE-OE1 3.04Å; R25-E29 IonicContact NH2-OE1 3.85Å; R25-E29 PolarHBondContact O-N 3.27Å; R25-E57 IonicContact CZ-OE1 3.21Å; R25-E57 IonicContact NH2-OE1 2.82Å; R25-E57 PolarHBondContact NH2-OE1 3.34Å
26R94.9Very high95.9Very high113 Ų11383.6 Ų83.643%0.42641%0.41SS..Hα-helixtrans-58.1-29.1177.8-74.4-169.5-69.6-93.54.3113S22 Q23 A24 E29 Q30S22-R26 PolarHBondContact O-N 3.15Å; S22-R26 VanDerWaalsContact O-N 3.08Å; S22-R26 PolarHBondContact OG-NH1 3.42Å; S22-R26 VanDerWaalsContact OG-NH1 3.13Å; Q23-R26 WeakPolarHBondContact O-CB 3.46Å; Q23-R26 PolarHBondContact O-N 2.99Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 3.43Å; R26-E29 PolarHBondContact O-N 3.17Å; R26-Q30 VanDerWaalsContact O-CG 3.31Å; R26-Q30 WeakPolarHBondContact O-CG 3.46Å; R26-Q30 PolarHBondContact O-N 3.24Å
27G96.3Very high96Very high32 Ų3286.3 Ų86.333%0.3342%0.419SS..Hα-helixtrans-60.3-43.1173.500000112.6Q23 A24 R25 Q30 L31Q23-G27 PolarHBondContact O-N 2.93Å; A24-G27 PolarHBondContact O-N 3.07Å; A24-G27 VanDerWaalsContact O-N 3.14Å; R25-G27 PolarHBondContact O-N 2.98Å; G27-Q30 PolarHBondContact O-N 2.82Å; G27-L31 PolarHBondContact O-N 3.26Å
28H97.6Very high96Very high52 Ų5283 Ų8324%0.24141%0.409CS..Hα-helixtrans-66.6-41.8174.5-60.2-85.1000111.9A24 R25 Q30 L31 I32 T50 L53A24-H28 PolarHBondContact O-CD2 3.16Å; R25-H28 WeakPolarHBondContact O-CB 3.43Å; R25-H28 PolarHBondContact O-N 3.18Å; H28-Q30 VanDerWaalsContact C-N 3.28Å; H28-Q30 PolarHBondContact O-N 2.98Å; H28-L31 PolarHBondContact O-N 3.26Å; H28-I32 WeakPolarHBondContact O-CG1 3.27Å; H28-I32 PolarHBondContact O-N 3.07Å; H28-T50 HydrophobicContact CB-CG2 4.3Å; H28-T50 PolarHBondContact CE1-OG1 2.98Å; H28-T50 PolarHBondContact ND1-OG1 3.43Å; H28-L53 HydrophobicContact CB-CD2 3.8Å
29E96.6Very high96Very high79 Ų7981.6 Ų81.637%0.36940%0.404SS..Hα-helixtrans-63.2-34.3179.4-66.9170.6177.200112.1R25 R26 I32 R33R25-E29 HydrophobicContact CG-CG 4.46Å; R25-E29 IonicContact CZ-OE1 3.43Å; R25-E29 IonicContact NE-OE1 3.94Å; R25-E29 PolarHBondContact NE-OE1 3.04Å; R25-E29 IonicContact NH2-OE1 3.85Å; R25-E29 PolarHBondContact O-N 3.27Å; R26-E29 PolarHBondContact O-N 3.17Å; E29-I32 PolarHBondContact O-N 3.38Å; E29-R33 VanDerWaalsContact O-CB 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.49Å; E29-R33 PolarHBondContact O-N 3.21Å
30Q97.4Very high96.3Very high138 Ų13879.6 Ų79.665%0.64540%0.399SS*.Hα-helixtrans-63.9-43.4174.3-75.7172.4-4.400112.2R26 G27 H28 R33 H34R26-Q30 VanDerWaalsContact O-CG 3.31Å; R26-Q30 WeakPolarHBondContact O-CG 3.46Å; R26-Q30 PolarHBondContact O-N 3.24Å; G27-Q30 PolarHBondContact O-N 2.82Å; H28-Q30 VanDerWaalsContact C-N 3.28Å; H28-Q30 PolarHBondContact O-N 2.98Å; Q30-R33 PolarHBondContact O-N 2.96Å; Q30-H34 WeakPolarHBondContact O-CB 3.3Å; Q30-H34 PolarHBondContact O-N 3.43Å
31L98.1Very high96.5Very high73 Ų7373.8 Ų73.838%0.38237%0.373SS..Hα-helixtrans-62.7-47.4175.9-65.8174.9000111.1G27 H28 R33 H34 L35 W46 T50G27-L31 PolarHBondContact O-N 3.26Å; H28-L31 PolarHBondContact O-N 3.26Å; L31-R33 PolarHBondContact O-N 3.46Å; L31-H34 WeakPolarHBondContact O-CB 3.49Å; L31-H34 PolarHBondContact O-N 2.84Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-W46 HydrophobicContact CB-CZ2 3.91Å; L31-W46 VanDerWaalsContact O-CZ2 3.27Å; L31-W46 WeakPolarHBondContact O-CZ2 3.45Å; L31-T50 HydrophobicContact CB-CG2 4.37Å; L31-T50 HydrophobicContact CD1-CG2 4.04Å
32I98.2Very high96.7Very high23 Ų2372.3 Ų72.312%0.11836%0.355CS..Hα-helixtrans-60.3-46.4177.3-67168.4000110.8H28 E29 H34 L35 L36 W46 F54H28-I32 WeakPolarHBondContact O-CG1 3.27Å; H28-I32 PolarHBondContact O-N 3.07Å; E29-I32 PolarHBondContact O-N 3.38Å; I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 3.03Å; I32-L35 PolarHBondContact O-N 2.82Å; I32-L36 HydrophobicContact CG2-CD1 3.83Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.43Å; I32-L36 PolarHBondContact O-N 3.4Å; I32-W46 HydrophobicContact CB-CH2 4.46Å; I32-W46 HydrophobicContact CG1-CH2 3.96Å; I32-W46 HydrophobicContact CG1-CZ3 4.07Å; I32-F54 HydrophobicContact CB-CD2 4.4Å; I32-F54 HydrophobicContact CD1-CB 3.94Å; I32-F54 HydrophobicContact CD1-CD2 4.14Å; I32-F54 HydrophobicContact CD1-CG 4.5Å; I32-F54 HydrophobicContact CG1-CB 4.06Å; I32-F54 HydrophobicContact CG1-CD2 3.93Å; I32-F54 HydrophobicContact CG1-CG 4.28Å; I32-F54 HydrophobicContact CG2-CD2 3.65Å; I32-F54 HydrophobicContact CG2-CE2 3.91Å
33R98Very high96.9Very high191 Ų19177.4 Ų77.472%0.72138%0.376SS*.Hα-helixtrans-58-43.8176.8179.1179.8174.1139.81111.5E29 Q30 L31 L36 D37E29-R33 VanDerWaalsContact O-CB 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.49Å; E29-R33 PolarHBondContact O-N 3.21Å; Q30-R33 PolarHBondContact O-N 2.96Å; L31-R33 PolarHBondContact O-N 3.46Å; R33-L36 PolarHBondContact O-N 3.21Å; R33-D37 VanDerWaalsContact O-CB 3.28Å; R33-D37 WeakPolarHBondContact O-CB 3.44Å; R33-D37 PolarHBondContact O-N 3.42Å
34H97.7Very high97.1Very high91 Ų9176.9 Ų76.942%0.42137%0.373SS..Hα-helixtrans-62.1-43.1179.3-173.579.5000112.1Q30 L31 I32 D37 Q38Q30-H34 WeakPolarHBondContact O-CB 3.3Å; Q30-H34 PolarHBondContact O-N 3.43Å; L31-H34 WeakPolarHBondContact O-CB 3.49Å; L31-H34 PolarHBondContact O-N 2.84Å; I32-H34 VanDerWaalsContact C-N 3.3Å; I32-H34 PolarHBondContact O-N 3.03Å; H34-D37 PolarHBondContact O-N 3.18Å; H34-Q38 PolarHBondContact CE1-NE2 2.87Å; H34-Q38 PolarHBondContact CE1-OE1 3.18Å; H34-Q38 VanDerWaalsContact CE1-OE1 3.29Å; H34-Q38 PolarHBondContact NE2-OE1 3.14Å; H34-Q38 WeakPolarHBondContact O-CB 3.48Å; H34-Q38 PolarHBondContact O-N 3.02Å
35L98.3Very high97.3Very high3 Ų375.5 Ų75.52%0.01637%0.365CS..Hα-helixtrans-60.6-45.3173.7174.865.5000111.8L31 I32 G39 K40 W46 F54 L117 V121 L327L31-L35 PolarHBondContact O-N 3.48Å; I32-L35 PolarHBondContact O-N 2.82Å; L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.27Å; L35-G39 PolarHBondContact O-N 3.07Å; L35-K40 WeakPolarHBondContact CD1-O 3.35Å; L35-W46 HydrophobicContact CB-CH2 3.91Å; L35-W46 HydrophobicContact CB-CZ2 3.85Å; L35-W46 HydrophobicContact CD2-CH2 3.58Å; L35-W46 HydrophobicContact CD2-CZ2 4.16Å; L35-W46 HydrophobicContact CD2-CZ3 4.31Å; L35-W46 HydrophobicContact CG-CH2 4.39Å; L35-F54 HydrophobicContact CD2-CE1 3.91Å; L35-F54 HydrophobicContact CD2-CZ 3.97Å; L35-L117 HydrophobicContact CD2-CD1 4.48Å; L35-L117 HydrophobicContact CG-CD2 4.34Å; L35-V121 HydrophobicContact CD1-CG2 3.73Å; L35-L327 HydrophobicContact CD1-CD2 4.13Å; L35-L327 HydrophobicContact CD2-CD1 4.16Å; L35-L327 HydrophobicContact CD2-CD2 3.8Å
36L97.8Very high97.5Very high81 Ų8173 Ų7342%0.42436%0.356SS..Hα-helixtrans-66.7-36.2-178.9-68.4172.4000112.9I32 R33 L113 L117I32-L36 HydrophobicContact CG2-CD1 3.83Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.43Å; I32-L36 PolarHBondContact O-N 3.4Å; R33-L36 PolarHBondContact O-N 3.21Å; L36-L113 HydrophobicContact CD2-CD1 4.11Å; L36-L113 HydrophobicContact CD2-CD2 3.99Å; L36-L113 HydrophobicContact CD2-CG 4.36Å; L36-L117 HydrophobicContact CD2-CD1 3.74Å; L36-L117 HydrophobicContact CD2-CD2 4.3Å
37D96.6Very high97.6Very high129 Ų12970.2 Ų70.269%0.6935%0.354SS*.Hα-helixtrans-76.5-43.9-178.7-170.742.3000111.7R33 H34R33-D37 VanDerWaalsContact O-CB 3.28Å; R33-D37 WeakPolarHBondContact O-CB 3.44Å; R33-D37 PolarHBondContact O-N 3.42Å; H34-D37 PolarHBondContact O-N 3.18Å
38Q95.8Very high97.7Very high92 Ų9276.1 Ų76.143%0.4337%0.373SS..Hα-helixtrans-95.6-27.4-173.9-58.8-156.8-7.900114.3H34 K40H34-Q38 PolarHBondContact CE1-NE2 2.87Å; H34-Q38 PolarHBondContact CE1-OE1 3.18Å; H34-Q38 VanDerWaalsContact CE1-OE1 3.29Å; H34-Q38 PolarHBondContact NE2-OE1 3.14Å; H34-Q38 WeakPolarHBondContact O-CB 3.48Å; H34-Q38 PolarHBondContact O-N 3.02Å; Q38-K40 HydrophobicContact CB-CB 4.41Å; Q38-K40 HydrophobicContact CB-CG 4.42Å; Q38-K40 PolarHBondContact O-N 3.47Å
39G96.4Very high97.8Very high7 Ų777.1 Ų77.17%0.07239%0.386CS..  trans62.421.2-174.200000114.2L35 S120 V121L35-G39 VanDerWaalsContact O-CA 3.27Å; L35-G39 WeakPolarHBondContact O-CA 3.27Å; L35-G39 PolarHBondContact O-N 3.07Å; G39-S120 WeakPolarHBondContact CA-OG 3.45Å; G39-S120 CarbonylContact O-C 3.44Å; G39-S120 VanDerWaalsContact O-C 3.27Å; G39-S120 VanDerWaalsContact O-CB 3.25Å; G39-S120 WeakPolarHBondContact O-CB 3.18Å; G39-S120 PolarHBondContact O-OG 2.93Å; G39-V121 PolarHBondContact O-N 3.48Å
40K98.1Very high97.9Very high108 Ų10873.5 Ų73.547%0.4737%0.369SS..SBendtrans-104.5159.9-177.6-70.8-175.7-178.6176.60112.1L35 Q38 D124L35-K40 WeakPolarHBondContact CD1-O 3.35Å; Q38-K40 HydrophobicContact CB-CB 4.41Å; Q38-K40 HydrophobicContact CB-CG 4.42Å; Q38-K40 PolarHBondContact O-N 3.47Å; K40-D124 WeakPolarHBondContact CB-OD2 3.26Å; K40-D124 HydrophobicContact CG-CB 4.45Å
41C98.2Very high97.9Very high10 Ų1067.1 Ų67.17%0.06834%0.34CS..  trans-64131.5170.9-1690000108.6V121 D124 I125 L326 G330 A331C41-V121 HydrophobicContact CB-CG1 3.93Å; C41-D124 PolarHBondContact N-OD2 3.25Å; C41-I125 HydrophobicContact CB-CD1 4.04Å; C41-I125 HydrophobicContact CB-CG1 4.37Å; C41-L326 PolarHBondContact SG-O 3.43Å; C41-G330 VanDerWaalsContact SG-C 3.58Å; C41-A331 HydrophobicContact CB-CB 4.48Å; C41-A331 PolarHBondContact SG-N 3.46Å; C41-A331 VanDerWaalsContact SG-N 3.41Å
42P98.3Very high98Very high12 Ų1268 Ų688%0.07834%0.342CS..  trans-60.7143.6175.728.4-35.7000109.4E44 L327 G330 A331P42-E44 WeakPolarHBondContact CB-O 3.38Å; P42-E44 PolarHBondContact O-N 3.37Å; P42-L327 HydrophobicContact CG-CD2 4.07Å; P42-G330 CarbonylContact O-C 3.45Å; P42-G330 WeakPolarHBondContact O-CA 3.49Å; P42-A331 PolarHBondContact O-N 3.2Å
43E97.9Very high98Very high135 Ų13568.7 Ų68.763%0.63135%0.346SS*.SBendtrans-61.5-48.3-177.8-179.1164.2-157.200111.3A331 N332E43-A331 PolarHBondContact O-N 3.02Å; E43-N332 VanDerWaalsContact CG-ND2 3.26Å; E43-N332 WeakPolarHBondContact CG-ND2 3.35Å; E43-N332 WeakPolarHBondContact O-CB 3.42Å; E43-N332 PolarHBondContact O-N 3.25Å
44E98.3Very high98Very high116 Ų11659.8 Ų59.854%0.54231%0.312SS..SBendtrans-103.2145.9171.8-66.5-57.2143.600111.5P42 N332P42-E44 WeakPolarHBondContact CB-O 3.38Å; P42-E44 PolarHBondContact O-N 3.37Å; E44-N332 PolarHBondContact OE1-ND2 3.16Å
45G98.2Very high98.1Very high34 Ų3455.5 Ų55.535%0.35129%0.292SS..PPolyproline II helixtrans-61.3139.317900000113.2L327 T328G45-L327 CarbonylContact C-O 3.42Å; G45-L327 WeakPolarHBondContact CA-O 3.33Å; G45-T328 WeakPolarHBondContact CA-O 3.44Å
46W98.6Very high98.1Very high13 Ų1359 Ų595%0.04931%0.311CS..PPolyproline II helixtrans-73.4150172.3-71.911.1000111L31 I32 L35 T50 V51 F54 L327L31-W46 HydrophobicContact CB-CZ2 3.91Å; L31-W46 VanDerWaalsContact O-CZ2 3.27Å; L31-W46 WeakPolarHBondContact O-CZ2 3.45Å; I32-W46 HydrophobicContact CB-CH2 4.46Å; I32-W46 HydrophobicContact CG1-CH2 3.96Å; I32-W46 HydrophobicContact CG1-CZ3 4.07Å; L35-W46 HydrophobicContact CB-CH2 3.91Å; L35-W46 HydrophobicContact CB-CZ2 3.85Å; L35-W46 HydrophobicContact CD2-CH2 3.58Å; L35-W46 HydrophobicContact CD2-CZ2 4.16Å; L35-W46 HydrophobicContact CD2-CZ3 4.31Å; L35-W46 HydrophobicContact CG-CH2 4.39Å; W46-T50 HydrophobicContact CB-CG2 4.47Å; W46-T50 HydrophobicContact CD2-CG2 3.83Å; W46-T50 HydrophobicContact CE3-CG2 3.56Å; W46-T50 HydrophobicContact CG-CG2 4.25Å; W46-T50 HydrophobicContact CZ3-CG2 4.11Å; W46-V51 HydrophobicContact CB-CG2 3.82Å; W46-V51 HydrophobicContact CE3-CG2 4.23Å; W46-F54 HydrophobicContact CZ3-CB 4.01Å; W46-F54 HydrophobicContact CZ3-CD1 4.14Å; W46-F54 HydrophobicContact CZ3-CG 4.06Å; W46-L327 HydrophobicContact CE3-CB 4.47Å; W46-L327 HydrophobicContact CE3-CD1 4.2Å; W46-L327 HydrophobicContact CH2-CD2 4.49Å; W46-L327 HydrophobicContact CZ2-CD2 4.48Å; W46-L327 HydrophobicContact CZ3-CD1 4.04Å; W46-L327 PolarHBondContact N-O 2.9Å
47S98.4Very high98.1Very high56 Ų5659 Ų5939%0.39231%0.309SS..PPolyproline II helixtrans-65.4152166.766.50000110.8S49 T50 V51S47-S49 PolarHBondContact O-N 3.08Å; S47-S49 PolarHBondContact OG-OG 3.3Å; S47-T50 WeakPolarHBondContact O-CB 3.12Å; S47-T50 PolarHBondContact O-N 3.4Å; S47-T50 PolarHBondContact OG-N 2.92Å; S47-T50 PolarHBondContact OG-OG1 3Å; S47-V51 PolarHBondContact O-N 2.92Å
48E98.3Very high98.2Very high156 Ų15653 Ų5373%0.72928%0.277SS*.Hα-helixtrans-52.3-41.6173.9-66.9-178.1179.400111.6T50 V51 E52E48-T50 VanDerWaalsContact C-N 3.27Å; E48-T50 PolarHBondContact O-N 3.35Å; E48-V51 PolarHBondContact O-N 3.31Å; E48-E52 WeakPolarHBondContact O-CG 3.26Å; E48-E52 PolarHBondContact O-N 3.03Å
49S98.1Very high98.3Very high72 Ų7248.8 Ų48.850%0.50326%0.257SS..Hα-helixtrans-58.9-35.2176.755.80000113.8S47 L53S47-S49 PolarHBondContact O-N 3.08Å; S47-S49 PolarHBondContact OG-OG 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.2Å; S49-L53 PolarHBondContact O-N 3.42Å
50T98.6Very high98.4Very high3 Ų352.5 Ų52.52%0.01828%0.278CS..Hα-helixtrans-74.9-42.7177.1-50.70000110.7H28 L31 W46 S47 E48 L53 F54H28-T50 HydrophobicContact CB-CG2 4.3Å; H28-T50 PolarHBondContact CE1-OG1 2.98Å; H28-T50 PolarHBondContact ND1-OG1 3.43Å; L31-T50 HydrophobicContact CB-CG2 4.37Å; L31-T50 HydrophobicContact CD1-CG2 4.04Å; W46-T50 HydrophobicContact CB-CG2 4.47Å; W46-T50 HydrophobicContact CD2-CG2 3.83Å; W46-T50 HydrophobicContact CE3-CG2 3.56Å; W46-T50 HydrophobicContact CG-CG2 4.25Å; W46-T50 HydrophobicContact CZ3-CG2 4.11Å; S47-T50 WeakPolarHBondContact O-CB 3.12Å; S47-T50 PolarHBondContact O-N 3.4Å; S47-T50 PolarHBondContact OG-N 2.92Å; S47-T50 PolarHBondContact OG-OG1 3Å; E48-T50 VanDerWaalsContact C-N 3.27Å; E48-T50 PolarHBondContact O-N 3.35Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-F54 WeakPolarHBondContact O-CB 3.47Å; T50-F54 PolarHBondContact O-N 3.2Å
51V98.7Very high98.5Very high5 Ų551.1 Ų51.13%0.0327%0.274CS..Hα-helixtrans-61-49.9176.9176.60000110.2W46 S47 E48 L53 F54 L55 I324 L327W46-V51 HydrophobicContact CB-CG2 3.82Å; W46-V51 HydrophobicContact CE3-CG2 4.23Å; S47-V51 PolarHBondContact O-N 2.92Å; E48-V51 PolarHBondContact O-N 3.31Å; V51-L53 PolarHBondContact O-N 3.5Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 3.25Å; V51-L55 HydrophobicContact CG1-CD1 4.08Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.25Å; V51-I324 HydrophobicContact CG1-CG1 4.22Å; V51-I324 HydrophobicContact CG1-CG2 4.39Å; V51-L327 HydrophobicContact CG2-CB 4.11Å
52E98.7Very high98.5Very high91 Ų9150.6 Ų50.643%0.42527%0.271SS..Hα-helixtrans-65.5-39179-67.4-156.6138.400112.6E48 F54 L55 N56 Y89E48-E52 WeakPolarHBondContact O-CG 3.26Å; E48-E52 PolarHBondContact O-N 3.03Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.4Å; E52-L55 PolarHBondContact O-N 2.93Å; E52-N56 WeakPolarHBondContact O-CB 3.44Å; E52-N56 PolarHBondContact O-N 2.93Å; E52-N56 PolarHBondContact O-ND2 3.17Å; E52-Y89 HydrophobicContact CG-CE1 4.08Å; E52-Y89 PolarHBondContact OE1-OH 3.47Å
53L98.6Very high98.5Very high38 Ų3850.7 Ų50.720%0.19927%0.272CS..Hα-helixtrans-58-48.9173.8176.662.4000110.1H28 S49 T50 V51 L55 N56 E57H28-L53 HydrophobicContact CB-CD2 3.8Å; S49-L53 WeakPolarHBondContact O-CB 3.2Å; S49-L53 PolarHBondContact O-N 3.42Å; T50-L53 PolarHBondContact O-N 2.97Å; V51-L53 PolarHBondContact O-N 3.5Å; L53-L55 PolarHBondContact O-N 3.31Å; L53-N56 PolarHBondContact O-N 2.78Å; L53-E57 HydrophobicContact CD1-CG 4.33Å; L53-E57 VanDerWaalsContact O-CG 3.26Å; L53-E57 WeakPolarHBondContact O-CG 3.45Å; L53-E57 PolarHBondContact O-N 2.73Å
54F98.7Very high98.5Very high4 Ų445.8 Ų45.82%0.01825%0.25CS..Hα-helixtrans-60.5-46178.7177.6-119.9000112.7I32 L35 W46 T50 V51 E52 N56 E57 L58 L117 L323 L327I32-F54 HydrophobicContact CB-CD2 4.4Å; I32-F54 HydrophobicContact CD1-CB 3.94Å; I32-F54 HydrophobicContact CD1-CD2 4.14Å; I32-F54 HydrophobicContact CD1-CG 4.5Å; I32-F54 HydrophobicContact CG1-CB 4.06Å; I32-F54 HydrophobicContact CG1-CD2 3.93Å; I32-F54 HydrophobicContact CG1-CG 4.28Å; I32-F54 HydrophobicContact CG2-CD2 3.65Å; I32-F54 HydrophobicContact CG2-CE2 3.91Å; L35-F54 HydrophobicContact CD2-CE1 3.91Å; L35-F54 HydrophobicContact CD2-CZ 3.97Å; W46-F54 HydrophobicContact CZ3-CB 4.01Å; W46-F54 HydrophobicContact CZ3-CD1 4.14Å; W46-F54 HydrophobicContact CZ3-CG 4.06Å; T50-F54 WeakPolarHBondContact O-CB 3.47Å; T50-F54 PolarHBondContact O-N 3.2Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 3.25Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.4Å; F54-N56 VanDerWaalsContact C-N 3.35Å; F54-N56 PolarHBondContact O-N 3.21Å; F54-E57 PolarHBondContact O-N 3Å; F54-L58 HydrophobicContact CD1-CD1 4.22Å; F54-L58 HydrophobicContact CD2-CG 4.46Å; F54-L58 HydrophobicContact CE1-CD1 3.61Å; F54-L58 HydrophobicContact CE1-CG 4.37Å; F54-L58 HydrophobicContact CE2-CD1 4.12Å; F54-L58 HydrophobicContact CE2-CD2 4.14Å; F54-L58 HydrophobicContact CE2-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD1 3.55Å; F54-L58 HydrophobicContact CZ-CD2 4.16Å; F54-L58 HydrophobicContact CZ-CG 3.97Å; F54-L58 WeakPolarHBondContact O-CG 3.38Å; F54-L58 PolarHBondContact O-N 3.43Å; F54-L117 HydrophobicContact CE1-CD1 4.39Å; F54-L117 HydrophobicContact CE2-CD1 4.49Å; F54-L117 HydrophobicContact CZ-CD1 3.58Å; F54-L323 HydrophobicContact CE1-CD2 4.42Å; F54-L327 HydrophobicContact CD1-CD1 4.1Å; F54-L327 HydrophobicContact CE1-CD1 4.27Å
55L98.8Very high98.5Very high1 Ų142.1 Ų42.11%0.00523%0.234CC..Hα-helixtrans-63.8-38.8178.4-68.5177.8000112.6V51 E52 L53 L58 A59 Y89 L114 L320 I324V51-L55 HydrophobicContact CG1-CD1 4.08Å; V51-L55 HydrophobicContact CG1-CG 4.4Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.25Å; E52-L55 PolarHBondContact O-N 2.93Å; L53-L55 PolarHBondContact O-N 3.31Å; L55-L58 PolarHBondContact O-N 3.28Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.39Å; L55-Y89 HydrophobicContact CB-CD1 3.79Å; L55-Y89 HydrophobicContact CB-CE1 4.3Å; L55-Y89 HydrophobicContact CB-CG 4.2Å; L55-Y89 HydrophobicContact CD1-CD1 3.82Å; L55-Y89 HydrophobicContact CD1-CD2 3.97Å; L55-Y89 HydrophobicContact CD1-CE1 3.79Å; L55-Y89 HydrophobicContact CD1-CE2 3.92Å; L55-Y89 HydrophobicContact CD1-CG 3.93Å; L55-Y89 HydrophobicContact CG-CD1 4.5Å; L55-L114 HydrophobicContact CD2-CD1 4.04Å; L55-L320 HydrophobicContact CD1-CD1 4.14Å; L55-L320 HydrophobicContact CD2-CD1 3.62Å; L55-I324 HydrophobicContact CD1-CD1 3.77Å; L55-I324 HydrophobicContact CD1-CG1 3.83Å
56N98.6Very high98.5Very high76 Ų7645.5 Ų45.541%0.40624%0.24SC..Hα-helixtrans-66-40.4175.8-75.5-54.5000111.6E52 L53 F54 L58 A59 V60E52-N56 WeakPolarHBondContact O-CB 3.44Å; E52-N56 PolarHBondContact O-N 2.93Å; E52-N56 PolarHBondContact O-ND2 3.17Å; L53-N56 PolarHBondContact O-N 2.78Å; F54-N56 VanDerWaalsContact C-N 3.35Å; F54-N56 PolarHBondContact O-N 3.21Å; N56-L58 VanDerWaalsContact C-N 3.34Å; N56-A59 PolarHBondContact O-N 2.93Å; N56-V60 WeakPolarHBondContact O-CG1 3.47Å; N56-V60 PolarHBondContact O-N 3.09Å; N56-V60 VanDerWaalsContact O-N 3.11Å
57E98.4Very high98.5Very high82 Ų8253.8 Ų53.838%0.38328%0.284SS..Hα-helixtrans-62.8-40.1174.6-64.6-75-176.800111.1R25 L53 F54 V60 M61R25-E57 IonicContact CZ-OE1 3.21Å; R25-E57 IonicContact NH2-OE1 2.82Å; R25-E57 PolarHBondContact NH2-OE1 3.34Å; L53-E57 HydrophobicContact CD1-CG 4.33Å; L53-E57 VanDerWaalsContact O-CG 3.26Å; L53-E57 WeakPolarHBondContact O-CG 3.45Å; L53-E57 PolarHBondContact O-N 2.73Å; F54-E57 PolarHBondContact O-N 3Å; E57-V60 WeakPolarHBondContact O-CG2 3.29Å; E57-M61 WeakPolarHBondContact O-CG 3.45Å
58L98.6Very high98.4Very high3 Ų354.8 Ų54.82%0.01630%0.303CS..Hα-helixtrans-64.7-44.8172.7-68.3179.5000112F54 L55 N56 V60 M61 G110 L113 L114F54-L58 HydrophobicContact CD1-CD1 4.22Å; F54-L58 HydrophobicContact CD2-CG 4.46Å; F54-L58 HydrophobicContact CE1-CD1 3.61Å; F54-L58 HydrophobicContact CE1-CG 4.37Å; F54-L58 HydrophobicContact CE2-CD1 4.12Å; F54-L58 HydrophobicContact CE2-CD2 4.14Å; F54-L58 HydrophobicContact CE2-CG 4.02Å; F54-L58 HydrophobicContact CZ-CD1 3.55Å; F54-L58 HydrophobicContact CZ-CD2 4.16Å; F54-L58 HydrophobicContact CZ-CG 3.97Å; F54-L58 WeakPolarHBondContact O-CG 3.38Å; F54-L58 PolarHBondContact O-N 3.43Å; L55-L58 PolarHBondContact O-N 3.28Å; N56-L58 VanDerWaalsContact C-N 3.34Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 3.22Å; L58-M61 HydrophobicContact CD2-SD 4.24Å; L58-M61 WeakPolarHBondContact O-CB 3.36Å; L58-M61 PolarHBondContact O-N 3.03Å; L58-G110 VanDerWaalsContact O-CA 3.3Å; L58-G110 WeakPolarHBondContact O-CA 3.21Å; L58-L113 HydrophobicContact CD2-CB 4.14Å; L58-L113 HydrophobicContact CD2-CD2 3.6Å; L58-L113 HydrophobicContact CD2-CG 3.91Å; L58-L114 HydrophobicContact CD1-CB 4.04Å; L58-L114 HydrophobicContact CD1-CD1 4.04Å; L58-L114 HydrophobicContact CD1-CG 4.5Å
59A98.6Very high98.4Very high2 Ų250.6 Ų50.62%0.01729%0.285CS..Hα-helixtrans-61.5-40.2-176.300000112.5L55 N56 M61 D62 N65 Y89 R90 L91L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.39Å; N56-A59 PolarHBondContact O-N 2.93Å; A59-M61 PolarHBondContact O-N 3.07Å; A59-D62 PolarHBondContact O-N 3.27Å; A59-D62 VanDerWaalsContact O-N 3.16Å; A59-N65 PolarHBondContact O-ND2 3.43Å; A59-Y89 WeakPolarHBondContact CB-O 3.22Å; A59-R90 HydrophobicContact CB-CB 4.44Å; A59-L91 HydrophobicContact CB-CD2 4.31Å; A59-L91 HydrophobicContact CB-CG 4.46Å
60V98.6Very high98.3Very high85 Ų8552.3 Ų52.352%0.51530%0.297SS..THydrogen-bonded Turntrans-68.2-12.9178.4-61.90000113.4N56 E57 L58 F66N56-V60 WeakPolarHBondContact O-CG1 3.47Å; N56-V60 PolarHBondContact O-N 3.09Å; N56-V60 VanDerWaalsContact O-N 3.11Å; E57-V60 WeakPolarHBondContact O-CG2 3.29Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 3.22Å; V60-F66 WeakPolarHBondContact O-CD1 3.33Å; V60-F66 VanDerWaalsContact O-CE1 3.29Å; V60-F66 WeakPolarHBondContact O-CE1 3.44Å
61M98.5Very high98.2Very high79 Ų7953.2 Ų53.239%0.38931%0.306SS..THydrogen-bonded Turntrans-82.3-10.5174.5-61.316863.300113.6E57 L58 A59 F66 A109 L113E57-M61 WeakPolarHBondContact O-CG 3.45Å; L58-M61 HydrophobicContact CD2-SD 4.24Å; L58-M61 WeakPolarHBondContact O-CB 3.36Å; L58-M61 PolarHBondContact O-N 3.03Å; A59-M61 PolarHBondContact O-N 3.07Å; M61-F66 WeakPolarHBondContact O-CE1 3.4Å; M61-F66 WeakPolarHBondContact O-CZ 3.29Å; M61-A109 HydrophobicContact CE-CB 4.48Å; M61-L113 HydrophobicContact CE-CD2 4.24Å
62D98.6Very high98.2Very high0 Ų059.8 Ų59.80%035%0.346CS..BIsolated β-bridgetrans-87.4138.6176.2-76.4-0.7000111.4A59 N64 N65 F66 A108 A109 G110 S111A59-D62 PolarHBondContact O-N 3.27Å; A59-D62 VanDerWaalsContact O-N 3.16Å; D62-N64 WeakPolarHBondContact CB-OD1 3.32Å; D62-N64 PolarHBondContact O-N 3.4Å; D62-N64 VanDerWaalsContact O-N 3.09Å; D62-N65 PolarHBondContact O-N 3.26Å; D62-F66 WeakPolarHBondContact O-CD1 3.49Å; D62-F66 WeakPolarHBondContact O-CE1 3.33Å; D62-A108 WeakPolarHBondContact OD1-CA 3.34Å; D62-A109 PolarHBondContact OD1-N 3.42Å; D62-G110 VanDerWaalsContact OD1-CA 3.22Å; D62-G110 WeakPolarHBondContact OD1-CA 3.44Å; D62-G110 PolarHBondContact OD1-N 2.86Å; D62-S111 PolarHBondContact OD1-N 3.1Å; D62-S111 WeakPolarHBondContact OD2-CB 3.42Å; D62-S111 PolarHBondContact OD2-N 2.75Å; D62-S111 PolarHBondContact OD2-OG 3.32Å
63S98.4Very high98.1Very high14 Ų1456.6 Ų56.610%0.09834%0.337CS..G310 helixtrans-63-27.4-168.565.40000114N65 F66 N69 K107S63-N65 PolarHBondContact O-N 3.18Å; S63-F66 PolarHBondContact O-N 3.16Å; S63-N69 WeakPolarHBondContact O-CB 3.4Å; S63-N69 PolarHBondContact O-ND2 3.31Å; S63-K107 WeakPolarHBondContact CB-O 3.21Å; S63-K107 PolarHBondContact N-O 2.89Å; S63-K107 PolarHBondContact OG-O 2.75Å
64N98.3Very high98Very high31 Ų3162.9 Ų62.917%0.16637%0.366CS..G310 helixtrans-66.6-11.117667.2-88.9000113.5D62 R90 H93D62-N64 WeakPolarHBondContact CB-OD1 3.32Å; D62-N64 PolarHBondContact O-N 3.4Å; D62-N64 VanDerWaalsContact O-N 3.09Å; N64-R90 PolarHBondContact ND2-O 2.96Å; N64-H93 PolarHBondContact OD1-CD2 2.79Å
65N98.5Very high97.9Very high40 Ų4069 Ų6921%0.21439%0.389CS..G310 helixtrans-110.30.3178.4-64.3-45.5000113A59 D62 S63 R90A59-N65 PolarHBondContact O-ND2 3.43Å; D62-N65 PolarHBondContact O-N 3.26Å; S63-N65 PolarHBondContact O-N 3.18Å; N65-R90 PolarHBondContact ND2-O 3.02Å
66F98.6Very high97.8Very high105 Ų10569.8 Ų69.846%0.46139%0.393SS..  trans-71134.2177.3-57.8-17.3000110.7V60 M61 D62 S63 G68 N69V60-F66 WeakPolarHBondContact O-CD1 3.33Å; V60-F66 VanDerWaalsContact O-CE1 3.29Å; V60-F66 WeakPolarHBondContact O-CE1 3.44Å; M61-F66 WeakPolarHBondContact O-CE1 3.4Å; M61-F66 WeakPolarHBondContact O-CZ 3.29Å; D62-F66 WeakPolarHBondContact O-CD1 3.49Å; D62-F66 WeakPolarHBondContact O-CE1 3.33Å; S63-F66 PolarHBondContact O-N 3.16Å; F66-G68 PolarHBondContact O-N 3.32Å; F66-N69 HydrophobicContact CB-CB 4.13Å; F66-N69 WeakPolarHBondContact O-CB 3.47Å; F66-N69 PolarHBondContact O-N 3.03Å; F66-N69 VanDerWaalsContact O-N 3.14Å
67L97.8Very high97.8Very high187 Ų18767 Ų6798%0.97938%0.381SS*.THydrogen-bonded Turntrans-60.4-33.3-177.1-63.2176.6000113.4
68G96.9Very high97.8Very high77 Ų7771.4 Ų71.479%0.79439%0.394SS*.THydrogen-bonded Turntrans-99.915.4179.500000114.6F66F66-G68 PolarHBondContact O-N 3.32Å
69N97.8Very high97.8Very high67 Ų6773.8 Ų73.836%0.35841%0.409SS..  trans-69.4135.8-178.6-176.2-98.6000111.8S63 F66 G71S63-N69 WeakPolarHBondContact O-CB 3.4Å; S63-N69 PolarHBondContact O-ND2 3.31Å; F66-N69 HydrophobicContact CB-CB 4.13Å; F66-N69 WeakPolarHBondContact O-CB 3.47Å; F66-N69 PolarHBondContact O-N 3.03Å; F66-N69 VanDerWaalsContact O-N 3.14Å; N69-G71 PolarHBondContact OD1-N 3.01Å
70C97.1Very high97.8Very high109 Ų10979.2 Ų79.274%0.73645%0.454SS*.  trans-121.3116.6159.562.70000109.3
71G96.8Very high97.8Very high22 Ų2277.5 Ų77.523%0.22745%0.446CS..  trans-96.2112-179.200000111.6N69 E76 R78N69-G71 PolarHBondContact OD1-N 3.01Å; G71-E76 WeakPolarHBondContact CA-OE2 3.42Å; G71-R78 PolarHBondContact O-NH2 3.45Å
72V97.3Very high97.8Very high143 Ų14377.9 Ų77.987%0.86746%0.456SS*.  trans-105.17.7177.2-63.40000113.4
73G97.1Very high97.8Very high23 Ų2383.9 Ų83.924%0.23749%0.487CS..SBendtrans-94.1176.7175.300000114.2E76 R78G73-E76 WeakPolarHBondContact CA-OE1 3.37Å; G73-E76 VanDerWaalsContact O-CG 3.3Å; G73-E76 WeakPolarHBondContact O-CG 3.44Å; G73-R78 PolarHBondContact O-NH2 3.41Å
74E96.8Very high97.8Very high170 Ų17085.9 Ų85.979%0.79450%0.499SS*.SBendtrans-83.4-23.2175.584-62.6165.700112.6
75R95.7Very high97.8Very high132 Ų13284.9 Ų84.950%0.49850%0.495SS..  trans-12368.9-178.9-166.4-178.9-65.3-175.90.1112
76E98Very high97.8Very high19 Ų1991.6 Ų91.69%0.08952%0.517CS..SBendtrans-1008.1-175.3-61-57.1118.300114.2G71 G73 R78 K107G71-E76 WeakPolarHBondContact CA-OE2 3.42Å; G73-E76 WeakPolarHBondContact CA-OE1 3.37Å; G73-E76 VanDerWaalsContact O-CG 3.3Å; G73-E76 WeakPolarHBondContact O-CG 3.44Å; E76-R78 HydrophobicContact CB-CG 4.2Å; E76-R78 PolarHBondContact O-N 2.84Å; E76-K107 IonicContact OE1-NZ 2.75Å; E76-K107 PolarHBondContact OE1-NZ 3.38Å
77G97.4Very high97.8Very high16 Ų1694 Ų9417%0.16552%0.524CS..  trans6624.5177.700000114.1I92G77-I92 WeakPolarHBondContact O-CG2 3.46Å
78R98.3Very high97.9Very high175 Ų17586.9 Ų86.966%0.6649%0.485SS*.  trans-65.5133.5175.1-54.8-175.2-166.3108.22.8109.7G71 G73 E76G71-R78 PolarHBondContact O-NH2 3.45Å; G73-R78 PolarHBondContact O-NH2 3.41Å; E76-R78 HydrophobicContact CB-CG 4.2Å; E76-R78 PolarHBondContact O-N 2.84Å
79V98.6Very high98Very high54 Ų5485.9 Ų85.933%0.32746%0.458SS..  trans-121.8121.9179.6-172.50000110.1S81 V84 A85 I92V79-S81 VanDerWaalsContact CG1-O 3.29Å; V79-S81 WeakPolarHBondContact CG1-O 3.46Å; V79-V84 HydrophobicContact CG1-CB 4.05Å; V79-V84 HydrophobicContact CG1-CG1 4.05Å; V79-A85 HydrophobicContact CB-CB 4.27Å; V79-A85 HydrophobicContact CG1-CB 3.97Å; V79-I92 HydrophobicContact CG2-CB 4.32Å; V79-I92 HydrophobicContact CG2-CD1 3.55Å; V79-I92 HydrophobicContact CG2-CG1 3.6Å; V79-I92 HydrophobicContact CG2-CG2 3.74Å
80A98.6Very high98Very high115 Ų11588.7 Ų88.795%0.9546%0.463SS*.SBendtrans-75.4-39179.900000113.2
81S98.7Very high98.1Very high50 Ų5084.1 Ų84.135%0.3543%0.431SS..  trans-99.4124.6-177.3175.10000111.9V79 L83 V84 A85V79-S81 VanDerWaalsContact CG1-O 3.29Å; V79-S81 WeakPolarHBondContact CG1-O 3.46Å; S81-L83 VanDerWaalsContact C-N 3.27Å; S81-L83 PolarHBondContact O-N 2.62Å; S81-L83 PolarHBondContact OG-N 3.26Å; S81-V84 PolarHBondContact O-N 2.97Å; S81-V84 VanDerWaalsContact O-N 3.15Å; S81-A85 PolarHBondContact O-N 3.2Å
82S98.5Very high98.2Very high86 Ų8685.4 Ų85.460%0.60143%0.433SS*.Hα-helixtrans-63.6-32175.359.70000112.7V84 A85 R86S82-V84 VanDerWaalsContact C-N 3.32Å; S82-V84 PolarHBondContact O-N 3.41Å; S82-A85 PolarHBondContact O-N 2.93Å; S82-R86 WeakPolarHBondContact O-CB 3.4Å; S82-R86 VanDerWaalsContact O-CG 3.28Å; S82-R86 WeakPolarHBondContact O-CG 3.25Å; S82-R86 PolarHBondContact O-N 3.25Å
83L98.8Very high98.2Very high127 Ų12779.1 Ų79.167%0.66539%0.394SS*.Hα-helixtrans-63.1-40.5174.3-64.5178.6000111.3S81 R87S81-L83 VanDerWaalsContact C-N 3.27Å; S81-L83 PolarHBondContact O-N 2.62Å; S81-L83 PolarHBondContact OG-N 3.26Å; L83-R87 WeakPolarHBondContact O-CB 3.27Å; L83-R87 VanDerWaalsContact O-CG 3.31Å; L83-R87 WeakPolarHBondContact O-CG 3.16Å; L83-R87 PolarHBondContact O-N 3.36Å
84V98.8Very high98.2Very high55 Ų5578.5 Ų78.533%0.33339%0.387SS..Hα-helixtrans-67.4-44176.4176.60000111V79 S81 S82 R87 H88V79-V84 HydrophobicContact CG1-CB 4.05Å; V79-V84 HydrophobicContact CG1-CG1 4.05Å; S81-V84 PolarHBondContact O-N 2.97Å; S81-V84 VanDerWaalsContact O-N 3.15Å; S82-V84 VanDerWaalsContact C-N 3.32Å; S82-V84 PolarHBondContact O-N 3.41Å; V84-R87 WeakPolarHBondContact O-CG 3.47Å; V84-H88 PolarHBondContact O-CD2 3.48Å; V84-H88 VanDerWaalsContact O-CD2 3.25Å
85A98.6Very high98.2Very high11 Ų1170.4 Ų70.49%0.09135%0.35CS..Hα-helixtrans-62.3-45.8177.800000111.7V79 S81 S82 H88 Y89 R90V79-A85 HydrophobicContact CB-CB 4.27Å; V79-A85 HydrophobicContact CG1-CB 3.97Å; S81-A85 PolarHBondContact O-N 3.2Å; S82-A85 PolarHBondContact O-N 2.93Å; A85-H88 PolarHBondContact O-N 3.41Å; A85-Y89 PolarHBondContact O-N 3.26Å; A85-R90 WeakPolarHBondContact O-CA 3.37Å; A85-R90 PolarHBondContact O-N 3.24Å
86R98.7Very high98Very high180 Ų18064.2 Ų64.268%0.67933%0.326SS*.Hα-helixtrans-66.2-47.7-177.7-75.3176.358.8116.45.4112.9S82 H88 Y89S82-R86 WeakPolarHBondContact O-CB 3.4Å; S82-R86 VanDerWaalsContact O-CG 3.28Å; S82-R86 WeakPolarHBondContact O-CG 3.25Å; S82-R86 PolarHBondContact O-N 3.25Å; R86-H88 PolarHBondContact O-N 3.05Å; R86-H88 VanDerWaalsContact O-N 3.13Å; R86-Y89 PolarHBondContact O-N 3.45Å
87R98.4Very high97.6Very high157 Ų15768.9 Ų68.959%0.59234%0.343SS*.Hα-helixtrans-65.6-16.5-177.276.3-175.6-175.881.4-4.3113.7L83 V84L83-R87 WeakPolarHBondContact O-CB 3.27Å; L83-R87 VanDerWaalsContact O-CG 3.31Å; L83-R87 WeakPolarHBondContact O-CG 3.16Å; L83-R87 PolarHBondContact O-N 3.36Å; V84-R87 WeakPolarHBondContact O-CG 3.47Å
88H98.8Very high96.5Very high36 Ų3673 Ų7317%0.16737%0.369CS..THydrogen-bonded Turntrans-105.615.2177-72.3-57.7000112.9V84 A85 R86 R90 L91V84-H88 PolarHBondContact O-CD2 3.48Å; V84-H88 VanDerWaalsContact O-CD2 3.25Å; A85-H88 PolarHBondContact O-N 3.41Å; R86-H88 PolarHBondContact O-N 3.05Å; R86-H88 VanDerWaalsContact O-N 3.13Å; H88-R90 PolarHBondContact O-N 3.41Å; H88-L91 WeakPolarHBondContact O-CB 3.39Å; H88-L91 PolarHBondContact O-N 3.34Å
89Y98.8Very high95.5Very high57 Ų5767.1 Ų67.122%0.22436%0.364CS..THydrogen-bonded Turntrans50.827.7-176.1-71.2-95000113.4E52 L55 A59 A85 R86 L91 L320 I324E52-Y89 HydrophobicContact CG-CE1 4.08Å; E52-Y89 PolarHBondContact OE1-OH 3.47Å; L55-Y89 HydrophobicContact CB-CD1 3.79Å; L55-Y89 HydrophobicContact CB-CE1 4.3Å; L55-Y89 HydrophobicContact CB-CG 4.2Å; L55-Y89 HydrophobicContact CD1-CD1 3.82Å; L55-Y89 HydrophobicContact CD1-CD2 3.97Å; L55-Y89 HydrophobicContact CD1-CE1 3.79Å; L55-Y89 HydrophobicContact CD1-CE2 3.92Å; L55-Y89 HydrophobicContact CD1-CG 3.93Å; L55-Y89 HydrophobicContact CG-CD1 4.5Å; A59-Y89 WeakPolarHBondContact CB-O 3.22Å; A85-Y89 PolarHBondContact O-N 3.26Å; R86-Y89 PolarHBondContact O-N 3.45Å; Y89-L91 PolarHBondContact O-N 3.49Å; Y89-L320 HydrophobicContact CD2-CD2 4.3Å; Y89-I324 HydrophobicContact CE2-CD1 4.22Å
90R98.6Very high94.9Very high126 Ų12666.3 Ų66.348%0.47536%0.357SS..THydrogen-bonded Turntrans61.621.7-177.3-47.6172-179.3-86.30.6115.1A59 N64 N65 A85 H88 I92A59-R90 HydrophobicContact CB-CB 4.44Å; N64-R90 PolarHBondContact ND2-O 2.96Å; N65-R90 PolarHBondContact ND2-O 3.02Å; A85-R90 WeakPolarHBondContact O-CA 3.37Å; A85-R90 PolarHBondContact O-N 3.24Å; H88-R90 PolarHBondContact O-N 3.41Å; R90-I92 PolarHBondContact O-N 3.43Å
91L98.6Very high94.4Very high12 Ų1261 Ų616%0.06331%0.313CS..  trans-89.592.7173.9-64.7162.1000109.9A59 H88 Y89 L114 L320A59-L91 HydrophobicContact CB-CD2 4.31Å; A59-L91 HydrophobicContact CB-CG 4.46Å; H88-L91 WeakPolarHBondContact O-CB 3.39Å; H88-L91 PolarHBondContact O-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.49Å; L91-L114 HydrophobicContact CD1-CD1 3.73Å; L91-L320 HydrophobicContact CD1-CD1 4.07Å; L91-L320 HydrophobicContact CD1-CD2 4.45Å
92I98.5Very high93.8Very high50 Ų5060.2 Ų60.226%0.25631%0.31SS..  trans-105.4-27-164-48.5-54.1000113.5G77 V79 R90 G94G77-I92 WeakPolarHBondContact O-CG2 3.46Å; V79-I92 HydrophobicContact CG2-CB 4.32Å; V79-I92 HydrophobicContact CG2-CD1 3.55Å; V79-I92 HydrophobicContact CG2-CG1 3.6Å; V79-I92 HydrophobicContact CG2-CG2 3.74Å; R90-I92 PolarHBondContact O-N 3.43Å; I92-G94 PolarHBondContact O-N 3.29Å
93H97.8Very high93.3Very high10 Ų1057.5 Ų57.55%0.04629%0.292CS..SBendtrans-75.4-6.4-168.8-85.2-56.6000115.5N64 K107 A108 R313N64-H93 PolarHBondContact OD1-CD2 2.79Å; H93-K107 PolarHBondContact CD2-O 2.74Å; H93-A108 HydrophobicContact CB-CB 3.41Å; H93-A108 VanDerWaalsContact CB-CB 3.41Å; H93-R313 PolarHBondContact ND1-NH1 3.41Å; H93-R313 WeakPolarHBondContact O-CD 3.42Å; H93-R313 PolarHBondContact O-NH1 2.81Å
94G97.1Very high93.1Very high10 Ų1054.8 Ų54.810%0.10328%0.281CS..  trans71.6-166.2-174.300000112.6I92 A314I92-G94 PolarHBondContact O-N 3.29Å; G94-A314 CarbonylContact C-O 3.35Å; G94-A314 VanDerWaalsContact CA-O 3.27Å; G94-A314 WeakPolarHBondContact CA-O 3.49Å
95I96.5Very high92.7Very high1 Ų152.8 Ų52.81%0.00527%0.268CS..BIsolated β-bridgetrans-108.5152176.662.3173.8000111.5I101 N115 R313 A314 A316I95-I101 HydrophobicContact CD1-CD1 4.16Å; I95-I101 HydrophobicContact CD1-CG1 3.96Å; I95-I101 HydrophobicContact CG1-CG1 4.05Å; I95-N115 HydrophobicContact CB-CB 4.27Å; I95-N115 HydrophobicContact CG2-CB 3.7Å; I95-R313 WeakPolarHBondContact O-CA 3.39Å; I95-R313 WeakPolarHBondContact O-CB 3.41Å; I95-A314 HydrophobicContact CD1-CB 4.4Å; I95-A314 HydrophobicContact CG1-CB 3.97Å; I95-A314 PolarHBondContact N-O 3.49Å; I95-A314 PolarHBondContact O-N 2.8Å; I95-A314 VanDerWaalsContact O-N 3.09Å; I95-A316 HydrophobicContact CG2-CB 3.79Å
96G92.6Very high92.3Very high1 Ų157 Ų571%0.0130%0.295CS..SBendtrans78.7-170.817200000116.3D100 I101 A103 Q105G96-D100 WeakPolarHBondContact CA-O 3.44Å; G96-I101 WeakPolarHBondContact CA-O 3.38Å; G96-I101 PolarHBondContact N-O 3.37Å; G96-A103 WeakPolarHBondContact CA-O 3.1Å; G96-Q105 PolarHBondContact O-NE2 3.36Å; G96-Q105 VanDerWaalsContact O-NE2 3.15Å
97R88.5Confident92.1Very high118 Ų11852 Ų5245%0.44528%0.278SS..BIsolated β-bridgetrans-130.6176.4176-68.9-174.863.9174.21.8110.2G99 D100 A103 V104 G312R97-G99 PolarHBondContact O-N 2.74Å; R97-G99 VanDerWaalsContact O-N 3.14Å; R97-D100 PolarHBondContact N-O 2.83Å; R97-D100 PolarHBondContact O-N 2.95Å; R97-A103 HydrophobicContact CB-CB 4.18Å; R97-A103 HydrophobicContact CG-CB 4.16Å; R97-V104 WeakPolarHBondContact CD-O 3.4Å; R97-G312 CarbonylContact O-C 3.51Å
98S75Confident92Very high102 Ų10244.5 Ų44.571%0.71325%0.249SC*.THydrogen-bonded Turntrans-55.3-30.9-17643.10000114.9G312S98-G312 PolarHBondContact O-N 3.43Å; S98-G312 VanDerWaalsContact O-N 3.08Å
99G77.3Confident92Very high52 Ų5244.9 Ų44.954%0.53626%0.258SS..THydrogen-bonded Turntrans-1165-177.600000115.9R97R97-G99 PolarHBondContact O-N 2.74Å; R97-G99 VanDerWaalsContact O-N 3.14Å
100D85Confident92Very high37 Ų3742.1 Ų42.120%0.19825%0.248CC..BIsolated β-bridgetrans-163.5118.8178.1-174.5-15.4000109.9G96 R97 A102 A103 K308G96-D100 WeakPolarHBondContact CA-O 3.44Å; R97-D100 PolarHBondContact N-O 2.83Å; R97-D100 PolarHBondContact O-N 2.95Å; D100-A102 PolarHBondContact O-N 2.78Å; D100-A102 WeakPolarHBondContact OD1-CA 3.26Å; D100-A102 WeakPolarHBondContact OD1-CB 3.2Å; D100-A102 PolarHBondContact OD1-N 2.8Å; D100-A103 HydrophobicContact CB-CB 3.77Å; D100-A103 PolarHBondContact O-N 3.34Å; D100-K308 HydrophobicContact CB-CG 4.09Å
101I89.8Confident92Very high2 Ų236.1 Ų36.11%0.0123%0.225CC..THydrogen-bonded Turntrans-69.2-21.1179.9-165.2174.2000112.9I95 G96 F138 V140 S307 Y310 A314I95-I101 HydrophobicContact CD1-CD1 4.16Å; I95-I101 HydrophobicContact CD1-CG1 3.96Å; I95-I101 HydrophobicContact CG1-CG1 4.05Å; G96-I101 WeakPolarHBondContact CA-O 3.38Å; G96-I101 PolarHBondContact N-O 3.37Å; I101-F138 HydrophobicContact CG2-CD2 4.23Å; I101-F138 HydrophobicContact CG2-CE2 4.17Å; I101-V140 HydrophobicContact CD1-CG2 4.39Å; I101-S307 WeakPolarHBondContact CG2-O 3.24Å; I101-S307 WeakPolarHBondContact CG2-OG 3.46Å; I101-Y310 HydrophobicContact CB-CD1 4.18Å; I101-Y310 HydrophobicContact CB-CG 4.27Å; I101-Y310 HydrophobicContact CD1-CD1 3.89Å; I101-Y310 HydrophobicContact CD1-CD2 4.02Å; I101-Y310 HydrophobicContact CD1-CE1 4.11Å; I101-Y310 HydrophobicContact CD1-CE2 4.21Å; I101-Y310 HydrophobicContact CD1-CG 3.86Å; I101-Y310 HydrophobicContact CG1-CD1 4.31Å; I101-A314 HydrophobicContact CD1-CB 3.41Å; I101-A314 VanDerWaalsContact CD1-CB 3.41Å; I101-A314 HydrophobicContact CG1-CB 3.91Å
102A85.8Confident92Very high35 Ų3536 Ų3629%0.28923%0.225SC..THydrogen-bonded Turntrans-93.4-7.117700000113.7D100D100-A102 PolarHBondContact O-N 2.78Å; D100-A102 WeakPolarHBondContact OD1-CA 3.26Å; D100-A102 WeakPolarHBondContact OD1-CB 3.2Å; D100-A102 PolarHBondContact OD1-N 2.8Å
103A87.5Confident92Very high28 Ų2836.2 Ų36.223%0.23123%0.227CC..SBendtrans-69.4145.4-178.800000113.5G96 R97 D100 Q105G96-A103 WeakPolarHBondContact CA-O 3.1Å; R97-A103 HydrophobicContact CB-CB 4.18Å; R97-A103 HydrophobicContact CG-CB 4.16Å; D100-A103 HydrophobicContact CB-CB 3.77Å; D100-A103 PolarHBondContact O-N 3.34Å; A103-Q105 PolarHBondContact O-N 3.14Å
104V93.7Very high92Very high71 Ų7135.8 Ų35.843%0.4323%0.225SC..  trans-65.7130.4175.5177.90000110.2R97 P106R97-V104 WeakPolarHBondContact CD-O 3.4Å; V104-P106 WeakPolarHBondContact O-CD 3.44Å
105Q92.1Very high92.1Very high13 Ų1335.6 Ų35.66%0.06122%0.221CC..  trans-94.7112.1177.1178.353-110.500110.9G96 A103 K107 A108 A109 S112 R313G96-Q105 PolarHBondContact O-NE2 3.36Å; G96-Q105 VanDerWaalsContact O-NE2 3.15Å; A103-Q105 PolarHBondContact O-N 3.14Å; Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 HydrophobicContact CG-CB 4.35Å; Q105-K107 PolarHBondContact O-N 2.84Å; Q105-A108 HydrophobicContact CB-CB 4.05Å; Q105-A108 HydrophobicContact CG-CB 3.61Å; Q105-A108 CarbonylContact O-C 3.48Å; Q105-A108 PolarHBondContact O-N 2.95Å; Q105-A109 PolarHBondContact O-N 2.94Å; Q105-S112 WeakPolarHBondContact CB-OG 3.47Å; Q105-S112 PolarHBondContact N-OG 3.04Å; Q105-R313 VanDerWaalsContact CD-CZ 3.49Å; Q105-R313 VanDerWaalsContact NE2-NE 3.18Å
106P90.2Very high92.2Very high100 Ų10041.1 Ų41.165%0.64925%0.245SC*.THydrogen-bonded Turntrans-58.9-32.3179.6-26.335000114.4V104 A108V104-P106 WeakPolarHBondContact O-CD 3.44Å; P106-A108 PolarHBondContact O-N 2.67Å
107K94.3Very high92.4Very high74 Ų7441.6 Ų41.632%0.32225%0.247SC..THydrogen-bonded Turntrans-74.9-11.3174.9-64.5-169.2177.3-1720113.6S63 E76 H93 Q105S63-K107 WeakPolarHBondContact CB-O 3.21Å; S63-K107 PolarHBondContact N-O 2.89Å; S63-K107 PolarHBondContact OG-O 2.75Å; E76-K107 IonicContact OE1-NZ 2.75Å; E76-K107 PolarHBondContact OE1-NZ 3.38Å; H93-K107 PolarHBondContact CD2-O 2.74Å; Q105-K107 VanDerWaalsContact C-N 3.25Å; Q105-K107 HydrophobicContact CG-CB 4.35Å; Q105-K107 PolarHBondContact O-N 2.84Å
108A96.9Very high92.9Very high0 Ų036 Ų360%023%0.226CC..BIsolated β-bridgetrans-146.664.6-169.300000110.9D62 H93 Q105 P106 G110 S111 S112D62-A108 WeakPolarHBondContact OD1-CA 3.34Å; H93-A108 HydrophobicContact CB-CB 3.41Å; H93-A108 VanDerWaalsContact CB-CB 3.41Å; Q105-A108 HydrophobicContact CB-CB 4.05Å; Q105-A108 HydrophobicContact CG-CB 3.61Å; Q105-A108 CarbonylContact O-C 3.48Å; Q105-A108 PolarHBondContact O-N 2.95Å; P106-A108 PolarHBondContact O-N 2.67Å; A108-G110 VanDerWaalsContact C-N 3.28Å; A108-G110 PolarHBondContact O-N 3.22Å; A108-S111 PolarHBondContact O-N 3.37Å; A108-S112 WeakPolarHBondContact O-CB 3.35Å; A108-S112 PolarHBondContact O-N 3.34Å; A108-S112 PolarHBondContact O-OG 2.92Å
109A98.1Very high94.1Very high43 Ų4332.1 Ų32.136%0.35520%0.197SC..Hα-helixtrans-62.7-37.9-179.100000111.6M61 D62 Q105 S112 L113M61-A109 HydrophobicContact CE-CB 4.48Å; D62-A109 PolarHBondContact OD1-N 3.42Å; Q105-A109 PolarHBondContact O-N 2.94Å; A109-S112 PolarHBondContact O-N 3.06Å; A109-L113 WeakPolarHBondContact O-CB 3.45Å; A109-L113 PolarHBondContact O-N 3.23Å
110G98.5Very high95.1Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-64.5-51.4175.600000112.7L58 D62 A108 S112 L113 L114L58-G110 VanDerWaalsContact O-CA 3.3Å; L58-G110 WeakPolarHBondContact O-CA 3.21Å; D62-G110 VanDerWaalsContact OD1-CA 3.22Å; D62-G110 WeakPolarHBondContact OD1-CA 3.44Å; D62-G110 PolarHBondContact OD1-N 2.86Å; A108-G110 VanDerWaalsContact C-N 3.28Å; A108-G110 PolarHBondContact O-N 3.22Å; G110-S112 PolarHBondContact O-N 3.15Å; G110-L113 PolarHBondContact O-N 3.3Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 2.86Å
111S98.4Very high95.7Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-61.7-32.9175.3-69.50000112.5D62 A108 N115D62-S111 PolarHBondContact OD1-N 3.1Å; D62-S111 WeakPolarHBondContact OD2-CB 3.42Å; D62-S111 PolarHBondContact OD2-N 2.75Å; D62-S111 PolarHBondContact OD2-OG 3.32Å; A108-S111 PolarHBondContact O-N 3.37Å; S111-N115 WeakPolarHBondContact O-CB 3.45Å; S111-N115 PolarHBondContact O-N 3.15Å
112S98.1Very high96.2Very high9 Ų929.9 Ų29.96%0.06318%0.177CC..Hα-helixtrans-68.6-43.8175.7-58.50000112.1Q105 A108 A109 G110 N115 K116Q105-S112 WeakPolarHBondContact CB-OG 3.47Å; Q105-S112 PolarHBondContact N-OG 3.04Å; A108-S112 WeakPolarHBondContact O-CB 3.35Å; A108-S112 PolarHBondContact O-N 3.34Å; A108-S112 PolarHBondContact O-OG 2.92Å; A109-S112 PolarHBondContact O-N 3.06Å; G110-S112 PolarHBondContact O-N 3.15Å; S112-N115 PolarHBondContact O-N 3.38Å; S112-K116 PolarHBondContact O-N 3.07Å; S112-K116 VanDerWaalsContact O-N 3.09Å
113L98.4Very high96.8Very high55 Ų5529.7 Ų29.729%0.28817%0.171SC..Hα-helixtrans-65.3-43.6176.2-179.856.3000110.7L36 L58 M61 A109 G110 N115 K116 L117L36-L113 HydrophobicContact CD2-CD1 4.11Å; L36-L113 HydrophobicContact CD2-CD2 3.99Å; L36-L113 HydrophobicContact CD2-CG 4.36Å; L58-L113 HydrophobicContact CD2-CB 4.14Å; L58-L113 HydrophobicContact CD2-CD2 3.6Å; L58-L113 HydrophobicContact CD2-CG 3.91Å; M61-L113 HydrophobicContact CE-CD2 4.24Å; A109-L113 WeakPolarHBondContact O-CB 3.45Å; A109-L113 PolarHBondContact O-N 3.23Å; G110-L113 PolarHBondContact O-N 3.3Å; L113-N115 PolarHBondContact O-N 2.8Å; L113-K116 PolarHBondContact O-N 3.37Å; L113-L117 HydrophobicContact CD1-CD1 3.92Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.33Å
114L98.6Very high97.3Very high1 Ų129.8 Ų29.81%0.00517%0.167CC..Hα-helixtrans-51.6-54.6172.3-176.5132.1000110.9L55 L58 L91 G110 K116 L117 T118 L320 L323L55-L114 HydrophobicContact CD2-CD1 4.04Å; L58-L114 HydrophobicContact CD1-CB 4.04Å; L58-L114 HydrophobicContact CD1-CD1 4.04Å; L58-L114 HydrophobicContact CD1-CG 4.5Å; L91-L114 HydrophobicContact CD1-CD1 3.73Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 2.86Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 2.93Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-T118 WeakPolarHBondContact O-CB 3.18Å; L114-T118 PolarHBondContact O-N 3.46Å; L114-T118 PolarHBondContact O-OG1 2.82Å; L114-L320 HydrophobicContact CD1-CD1 3.86Å; L114-L323 HydrophobicContact CD1-CD2 4.02Å; L114-L323 HydrophobicContact CG-CD2 3.84Å
115N98.3Very high97.6Very high5 Ų526.4 Ų26.43%0.02715%0.147CC..Hα-helixtrans-60-42.7-178-168.949.9000112.8I95 S111 S112 L113 T118 N119 S319I95-N115 HydrophobicContact CB-CB 4.27Å; I95-N115 HydrophobicContact CG2-CB 3.7Å; S111-N115 WeakPolarHBondContact O-CB 3.45Å; S111-N115 PolarHBondContact O-N 3.15Å; S112-N115 PolarHBondContact O-N 3.38Å; L113-N115 PolarHBondContact O-N 2.8Å; N115-T118 PolarHBondContact O-N 3.21Å; N115-N119 VanDerWaalsContact O-CG 3.26Å; N115-N119 PolarHBondContact O-N 2.91Å; N115-N119 PolarHBondContact O-ND2 2.83Å; N115-S319 PolarHBondContact OD1-OG 3.34Å
116K98.3Very high97.9Very high118 Ų11825.8 Ų25.851%0.51314%0.144SC..Hα-helixtrans-64-44.6177.8-77.6-169.1171.1-1690112.1S112 L113 L114 N119 S120S112-K116 PolarHBondContact O-N 3.07Å; S112-K116 VanDerWaalsContact O-N 3.09Å; L113-K116 PolarHBondContact O-N 3.37Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 2.93Å; K116-N119 PolarHBondContact O-N 2.75Å; K116-S120 WeakPolarHBondContact O-CB 3.45Å; K116-S120 PolarHBondContact O-N 3.35Å
117L98.6Very high98.3Very high10 Ų1024.7 Ų24.75%0.05213%0.129CC..Hα-helixtrans-65.7-42.9177.3-68.8170.3000111.2L35 L36 F54 L113 L114 N119 S120 V121L35-L117 HydrophobicContact CD2-CD1 4.48Å; L35-L117 HydrophobicContact CG-CD2 4.34Å; L36-L117 HydrophobicContact CD2-CD1 3.74Å; L36-L117 HydrophobicContact CD2-CD2 4.3Å; F54-L117 HydrophobicContact CE1-CD1 4.39Å; F54-L117 HydrophobicContact CE2-CD1 4.49Å; F54-L117 HydrophobicContact CZ-CD1 3.58Å; L113-L117 HydrophobicContact CD1-CD1 3.92Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.43Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.33Å; L114-L117 PolarHBondContact O-N 2.96Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 2.88Å; L117-S120 PolarHBondContact O-N 2.69Å; L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.28Å
118T98.9Very high98.5Very high1 Ų123.9 Ų23.91%0.00613%0.128CC..Hα-helixtrans-54.8-50.7173.9-56.90000111L114 N115 S120 V121 V122 V139 S319 V322 L323L114-T118 WeakPolarHBondContact O-CB 3.18Å; L114-T118 PolarHBondContact O-N 3.46Å; L114-T118 PolarHBondContact O-OG1 2.82Å; N115-T118 PolarHBondContact O-N 3.21Å; T118-S120 VanDerWaalsContact C-N 3.32Å; T118-S120 PolarHBondContact O-N 3.32Å; T118-V121 PolarHBondContact O-N 3.49Å; T118-V122 HydrophobicContact CG2-CG2 4.35Å; T118-V122 WeakPolarHBondContact O-CB 3.44Å; T118-V122 VanDerWaalsContact O-CG2 3.27Å; T118-V122 WeakPolarHBondContact O-CG2 3.43Å; T118-V122 PolarHBondContact O-N 2.89Å; T118-V139 HydrophobicContact CG2-CG2 3.91Å; T118-S319 VanDerWaalsContact CG2-O 3.32Å; T118-S319 WeakPolarHBondContact CG2-O 3.4Å; T118-S319 PolarHBondContact OG1-O 2.89Å; T118-S319 VanDerWaalsContact OG1-O 3.11Å; T118-V322 HydrophobicContact CG2-CG1 3.41Å; T118-V322 VanDerWaalsContact CG2-CG1 3.41Å; T118-L323 HydrophobicContact CG2-CB 4.41Å
119N98.7Very high98.5Very high20 Ų2024.1 Ų24.111%0.10713%0.129CC..Hα-helixtrans-61.6-40.5179.7-69.2-18.6000112N115 K116 L117 L123 F138 V139N115-N119 VanDerWaalsContact O-CG 3.26Å; N115-N119 PolarHBondContact O-N 2.91Å; N115-N119 PolarHBondContact O-ND2 2.83Å; K116-N119 PolarHBondContact O-N 2.75Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 2.88Å; N119-L123 WeakPolarHBondContact O-CB 3.46Å; N119-L123 PolarHBondContact O-N 2.99Å; N119-F138 WeakPolarHBondContact OD1-CA 3.36Å; N119-V139 PolarHBondContact OD1-N 2.98Å
120S98.8Very high98.5Very high43 Ų4323 Ų2330%0.30112%0.121SC..Hα-helixtrans-66.8-45.8178.6-167.40000112.6G39 K116 L117 T118 L123 D124G39-S120 WeakPolarHBondContact CA-OG 3.45Å; G39-S120 CarbonylContact O-C 3.44Å; G39-S120 VanDerWaalsContact O-C 3.27Å; G39-S120 VanDerWaalsContact O-CB 3.25Å; G39-S120 WeakPolarHBondContact O-CB 3.18Å; G39-S120 PolarHBondContact O-OG 2.93Å; K116-S120 WeakPolarHBondContact O-CB 3.45Å; K116-S120 PolarHBondContact O-N 3.35Å; L117-S120 PolarHBondContact O-N 2.69Å; T118-S120 VanDerWaalsContact C-N 3.32Å; T118-S120 PolarHBondContact O-N 3.32Å; S120-L123 WeakPolarHBondContact O-CB 3.42Å; S120-L123 PolarHBondContact O-N 3.41Å; S120-D124 PolarHBondContact O-N 3.37Å
121V98.8Very high98.5Very high1 Ų123 Ų231%0.00612%0.121CC..Hα-helixtrans-65.1-41.2177.7171.70000110.8L35 G39 C41 L117 T118 D124 I125 L323 L326L35-V121 HydrophobicContact CD1-CG2 3.73Å; G39-V121 PolarHBondContact O-N 3.48Å; C41-V121 HydrophobicContact CB-CG1 3.93Å; L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.28Å; T118-V121 PolarHBondContact O-N 3.49Å; V121-D124 WeakPolarHBondContact O-CB 3.49Å; V121-D124 PolarHBondContact O-N 3.4Å; V121-I125 WeakPolarHBondContact O-CG1 3.46Å; V121-I125 PolarHBondContact O-N 3.46Å; V121-L323 HydrophobicContact CG2-CD1 4.42Å; V121-L326 HydrophobicContact CG1-CB 3.89Å; V121-L326 HydrophobicContact CG1-CD1 3.81Å; V121-L326 HydrophobicContact CG1-CG 4.49Å
122V98.8Very high98.5Very high1 Ų132.7 Ų32.71%0.00616%0.158CC..Hα-helixtrans-63.9-41.7174.6166.50000111.3T118 D124 I125 L126 V139 I294 V322 L326T118-V122 HydrophobicContact CG2-CG2 4.35Å; T118-V122 WeakPolarHBondContact O-CB 3.44Å; T118-V122 VanDerWaalsContact O-CG2 3.27Å; T118-V122 WeakPolarHBondContact O-CG2 3.43Å; T118-V122 PolarHBondContact O-N 2.89Å; V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 3.18Å; V122-I125 PolarHBondContact O-N 2.92Å; V122-I125 VanDerWaalsContact O-N 3.15Å; V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.14Å; V122-V139 HydrophobicContact CG2-CG2 4.21Å; V122-I294 HydrophobicContact CG1-CD1 3.34Å; V122-I294 HydrophobicContact CG1-CG1 3.77Å; V122-I294 HydrophobicContact CG1-CG2 3.96Å; V122-V322 HydrophobicContact CG2-CG1 4.24Å; V122-V322 HydrophobicContact CG2-CG2 4.26Å; V122-L326 HydrophobicContact CG2-CD1 4.02Å
123L98.9Very high98.5Very high31 Ų3135 Ų3516%0.16217%0.174CC..Hα-helixtrans-58-43.3175.6-173.368.6000111.2N119 S120 L126 K127 V134 C137N119-L123 WeakPolarHBondContact O-CB 3.46Å; N119-L123 PolarHBondContact O-N 2.99Å; S120-L123 WeakPolarHBondContact O-CB 3.42Å; S120-L123 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 2.92Å; L123-K127 VanDerWaalsContact O-N 3.16Å; L123-V134 HydrophobicContact CD1-CB 4.32Å; L123-V134 HydrophobicContact CD1-CG1 3.62Å; L123-V134 HydrophobicContact CD1-CG2 3.82Å; L123-V134 HydrophobicContact CG-CG1 4.43Å; L123-C137 HydrophobicContact CD1-CB 4.18Å
124D98.8Very high98.6Very high29 Ų2932.5 Ų32.516%0.15516%0.161CC..Hα-helixtrans-61.7-43.5175.3-169.348.8000111.6K40 C41 S120 V121 V122 L126 K127 I128K40-D124 WeakPolarHBondContact CB-OD2 3.26Å; K40-D124 HydrophobicContact CG-CB 4.45Å; C41-D124 PolarHBondContact N-OD2 3.25Å; S120-D124 PolarHBondContact O-N 3.37Å; V121-D124 WeakPolarHBondContact O-CB 3.49Å; V121-D124 PolarHBondContact O-N 3.4Å; V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 3.18Å; D124-L126 PolarHBondContact O-N 3.01Å; D124-K127 WeakPolarHBondContact O-CB 3.29Å; D124-K127 PolarHBondContact O-N 3.42Å; D124-I128 WeakPolarHBondContact O-CG1 3.2Å; D124-I128 PolarHBondContact O-N 3Å
125I98.8Very high98.6Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-63.7-39.8174.7-65.9-66.4000112.3C41 V121 V122 K127 I128 S129 F286 L326 Y334C41-I125 HydrophobicContact CB-CD1 4.04Å; C41-I125 HydrophobicContact CB-CG1 4.37Å; V121-I125 WeakPolarHBondContact O-CG1 3.46Å; V121-I125 PolarHBondContact O-N 3.46Å; V122-I125 PolarHBondContact O-N 2.92Å; V122-I125 VanDerWaalsContact O-N 3.15Å; I125-K127 PolarHBondContact O-N 2.83Å; I125-I128 HydrophobicContact CD1-CD1 4.13Å; I125-I128 PolarHBondContact O-N 3.41Å; I125-S129 WeakPolarHBondContact O-CB 2.96Å; I125-S129 PolarHBondContact O-N 3.47Å; I125-S129 PolarHBondContact O-OG 3.46Å; I125-S129 VanDerWaalsContact O-OG 3.11Å; I125-F286 HydrophobicContact CG2-CE1 3.77Å; I125-F286 HydrophobicContact CG2-CZ 4.23Å; I125-L326 HydrophobicContact CD1-CD2 4.07Å; I125-L326 HydrophobicContact CG1-CD1 3.94Å; I125-L326 HydrophobicContact CG1-CD2 3.85Å; I125-L326 HydrophobicContact CG1-CG 4.5Å; I125-Y334 HydrophobicContact CD1-CD1 4.05Å; I125-Y334 HydrophobicContact CD1-CG 4.41Å; I125-Y334 HydrophobicContact CG2-CD1 3.76Å; I125-Y334 HydrophobicContact CG2-CE1 3.42Å; I125-Y334 VanDerWaalsContact CG2-CE1 3.42Å
126L98.8Very high98.6Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-60-37175.5-67.6-177.6000112V122 L123 D124 G130 V131 V134 C137 V257 M263 F278 Q280 I294 A296V122-L126 HydrophobicContact CG1-CG 4.45Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.14Å; L123-L126 PolarHBondContact O-N 2.92Å; D124-L126 PolarHBondContact O-N 3.01Å; L126-G130 PolarHBondContact O-N 3.38Å; L126-V131 PolarHBondContact O-N 3.04Å; L126-V131 VanDerWaalsContact O-N 3.12Å; L126-V134 HydrophobicContact CB-CG1 4.18Å; L126-V134 HydrophobicContact CD1-CG2 4.48Å; L126-C137 HydrophobicContact CD1-CB 4.08Å; L126-V257 HydrophobicContact CD2-CG1 4.17Å; L126-V257 HydrophobicContact CD2-CG2 3.96Å; L126-M263 HydrophobicContact CB-CE 4.35Å; L126-M263 HydrophobicContact CD2-CE 3.87Å; L126-M263 WeakPolarHBondContact O-CE 3.39Å; L126-F278 HydrophobicContact CD1-CE2 4.36Å; L126-Q280 VanDerWaalsContact CD2-NE2 3.29Å; L126-I294 HydrophobicContact CD1-CG2 4.13Å; L126-A296 HydrophobicContact CD1-CB 3.67Å
127K98.8Very high98.6Very high78 Ų7830.1 Ų30.134%0.33916%0.162SC..Hα-helixtrans-67.3-46.4174.2-67.6175.9179.7175.90111.6L123 D124 I125 S129 G130 V134L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 2.92Å; L123-K127 VanDerWaalsContact O-N 3.16Å; D124-K127 WeakPolarHBondContact O-CB 3.29Å; D124-K127 PolarHBondContact O-N 3.42Å; I125-K127 PolarHBondContact O-N 2.83Å; K127-S129 VanDerWaalsContact C-N 3.29Å; K127-S129 PolarHBondContact O-N 3.42Å; K127-G130 PolarHBondContact O-N 2.93Å; K127-V134 HydrophobicContact CD-CG1 4.36Å; K127-V134 VanDerWaalsContact CE-O 3.29Å; K127-V134 WeakPolarHBondContact CE-O 3.39Å; K127-V134 HydrophobicContact CG-CG1 3.58Å
128I97.9Very high98.6Very high57 Ų5730 Ų3029%0.29216%0.161SC..Hα-helixtrans-59.2-40.6176.2-70.3162.4000111D124 I125 G130 A331 K335D124-I128 WeakPolarHBondContact O-CG1 3.2Å; D124-I128 PolarHBondContact O-N 3Å; I125-I128 HydrophobicContact CD1-CD1 4.13Å; I125-I128 PolarHBondContact O-N 3.41Å; I128-G130 VanDerWaalsContact C-N 3.31Å; I128-G130 PolarHBondContact O-N 3.36Å; I128-A331 HydrophobicContact CD1-CB 4Å; I128-K335 HydrophobicContact CG2-CD 4.47Å; I128-K335 HydrophobicContact CG2-CG 4.02Å
129S98.1Very high98.6Very high5 Ų530 Ų304%0.03516%0.162CC..Hα-helixtrans-73.7-16.8-178.5-66.90000114.3I125 K127 V257 M263I125-S129 WeakPolarHBondContact O-CB 2.96Å; I125-S129 PolarHBondContact O-N 3.47Å; I125-S129 PolarHBondContact O-OG 3.46Å; I125-S129 VanDerWaalsContact O-OG 3.11Å; K127-S129 VanDerWaalsContact C-N 3.29Å; K127-S129 PolarHBondContact O-N 3.42Å; S129-V257 WeakPolarHBondContact CB-O 3.4Å; S129-V257 WeakPolarHBondContact OG-CG1 3.24Å; S129-M263 WeakPolarHBondContact O-CB 3.49Å
130G98.1Very high98.6Very high18 Ų1829.1 Ų29.119%0.18616%0.156CC..THydrogen-bonded Turntrans142.4-14.3166.600000116.7L126 K127 I128 R132L126-G130 PolarHBondContact O-N 3.38Å; K127-G130 PolarHBondContact O-N 2.93Å; I128-G130 VanDerWaalsContact C-N 3.31Å; I128-G130 PolarHBondContact O-N 3.36Å; G130-R132 PolarHBondContact O-N 2.93Å
131V98.6Very high98.6Very high0 Ų028.1 Ų28.10%015%0.149CC..  trans-94.372.8178.6-171.30000109.2L126 S133 V134 M263 I266 F278 F298L126-V131 PolarHBondContact O-N 3.04Å; L126-V131 VanDerWaalsContact O-N 3.12Å; V131-S133 PolarHBondContact O-N 2.83Å; V131-V134 HydrophobicContact CG1-CB 3.98Å; V131-V134 VanDerWaalsContact O-CG1 3.22Å; V131-V134 WeakPolarHBondContact O-CG1 3.38Å; V131-V134 PolarHBondContact O-N 3.46Å; V131-M263 HydrophobicContact CB-CE 4.1Å; V131-M263 HydrophobicContact CG2-CB 4.08Å; V131-M263 HydrophobicContact CG2-CE 3.5Å; V131-M263 WeakPolarHBondContact CG2-O 3.27Å; V131-M263 HydrophobicContact CG2-SD 3.97Å; V131-I266 HydrophobicContact CG1-CG2 4.24Å; V131-I266 HydrophobicContact CG2-CB 3.99Å; V131-I266 HydrophobicContact CG2-CG2 3.82Å; V131-F278 HydrophobicContact CB-CZ 4.38Å; V131-F278 HydrophobicContact CG1-CE1 4.35Å; V131-F278 HydrophobicContact CG1-CZ 3.93Å; V131-F278 HydrophobicContact CG2-CE2 4.45Å; V131-F278 HydrophobicContact CG2-CZ 4.46Å; V131-F298 HydrophobicContact CG1-CE1 3.58Å; V131-F298 HydrophobicContact CG1-CZ 3.61Å
132R98.1Very high98.5Very high205 Ų20529.6 Ų29.677%0.77416%0.156SC*.THydrogen-bonded Turntrans-63.1-29.7-173.1-64.8-177.6-179.2175-0113.8G130G130-R132 PolarHBondContact O-N 2.93Å
133S98.5Very high98.5Very high57 Ų5731.5 Ų31.540%0.39917%0.172SC..THydrogen-bonded Turntrans-88.64.9-178.661.50000114.5V131 A135 Q267 F298V131-S133 PolarHBondContact O-N 2.83Å; S133-A135 PolarHBondContact O-N 2.92Å; S133-Q267 PolarHBondContact OG-NE2 2.96Å; S133-Q267 PolarHBondContact OG-OE1 2.85Å; S133-F298 WeakPolarHBondContact OG-CE1 3.22Å
134V98.8Very high98.5Very high3 Ų330.7 Ų30.72%0.01817%0.168CC..  trans-55.1126.5174.464.10000109.7L123 L126 K127 V131 F278 A296L123-V134 HydrophobicContact CD1-CB 4.32Å; L123-V134 HydrophobicContact CD1-CG1 3.62Å; L123-V134 HydrophobicContact CD1-CG2 3.82Å; L123-V134 HydrophobicContact CG-CG1 4.43Å; L126-V134 HydrophobicContact CB-CG1 4.18Å; L126-V134 HydrophobicContact CD1-CG2 4.48Å; K127-V134 HydrophobicContact CD-CG1 4.36Å; K127-V134 VanDerWaalsContact CE-O 3.29Å; K127-V134 WeakPolarHBondContact CE-O 3.39Å; K127-V134 HydrophobicContact CG-CG1 3.58Å; V131-V134 HydrophobicContact CG1-CB 3.98Å; V131-V134 VanDerWaalsContact O-CG1 3.22Å; V131-V134 WeakPolarHBondContact O-CG1 3.38Å; V131-V134 PolarHBondContact O-N 3.46Å; V134-F278 HydrophobicContact CB-CZ 4.19Å; V134-F278 HydrophobicContact CG2-CE1 4.16Å; V134-F278 HydrophobicContact CG2-CZ 3.73Å; V134-A296 HydrophobicContact CG2-CB 4Å
135A98.5Very high98.5Very high44 Ų4429.5 Ų29.536%0.36416%0.163SC..  trans-88.8-46.1-174.400000110.9S133 G297 F298S133-A135 PolarHBondContact O-N 2.92Å; A135-G297 PolarHBondContact N-O 3.25Å; A135-F298 WeakPolarHBondContact CB-O 3.22Å
136S98.5Very high98.5Very high20 Ų2033.9 Ų33.914%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-147.2151.1-175.2-173.80000111.6A296 G297S136-A296 WeakPolarHBondContact O-CA 3.16Å; S136-G297 PolarHBondContact N-O 2.94Å; S136-G297 PolarHBondContact O-N 3.23Å
137C98.8Very high98.5Very high10 Ų1033.9 Ų33.97%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-153.5159.9169.273.20000111.6L123 L126 I294 I295 A296L123-C137 HydrophobicContact CD1-CB 4.18Å; L126-C137 HydrophobicContact CD1-CB 4.08Å; C137-I294 HydrophobicContact CB-CG2 3.93Å; C137-I295 CarbonylContact C-O 3.27Å; C137-I295 WeakPolarHBondContact CA-O 3.19Å; C137-I295 WeakPolarHBondContact CB-O 3.32Å; C137-A296 HydrophobicContact CB-CB 3.58Å
138F98.8Very high98.5Very high7 Ų730.2 Ų30.23%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-143.3147.3168.466.1-80.9000111.6I101 N119 V140 I295 V303 I306I101-F138 HydrophobicContact CG2-CD2 4.23Å; I101-F138 HydrophobicContact CG2-CE2 4.17Å; N119-F138 WeakPolarHBondContact OD1-CA 3.36Å; F138-V140 HydrophobicContact CD2-CB 4.27Å; F138-V140 HydrophobicContact CE2-CB 3.96Å; F138-I295 HydrophobicContact CD1-CB 4.4Å; F138-I295 HydrophobicContact CE1-CB 3.85Å; F138-I295 HydrophobicContact CE1-CD1 4.48Å; F138-I295 HydrophobicContact CE1-CG2 4.04Å; F138-I295 HydrophobicContact CE2-CD1 4.31Å; F138-I295 HydrophobicContact CZ-CB 4Å; F138-I295 HydrophobicContact CZ-CD1 3.81Å; F138-I295 HydrophobicContact CZ-CG1 4.37Å; F138-I295 HydrophobicContact CZ-CG2 4.39Å; F138-I295 PolarHBondContact N-O 3.18Å; F138-I295 PolarHBondContact O-N 3.42Å; F138-V303 HydrophobicContact CD1-CG1 3.75Å; F138-V303 HydrophobicContact CE1-CG1 3.95Å; F138-V303 WeakPolarHBondContact CE1-O 3.49Å; F138-I306 HydrophobicContact CE1-CB 4.32Å; F138-I306 HydrophobicContact CE1-CG2 4.41Å; F138-I306 HydrophobicContact CZ-CB 4.29Å; F138-I306 HydrophobicContact CZ-CG2 3.99Å
139V98.8Very high98.6Very high2 Ų227.7 Ų27.71%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-76132.2168.6175.20000109T118 N119 V122 L282 A293 I294 S319 V322T118-V139 HydrophobicContact CG2-CG2 3.91Å; N119-V139 PolarHBondContact OD1-N 2.98Å; V122-V139 HydrophobicContact CG2-CG2 4.21Å; V139-L282 HydrophobicContact CG1-CD1 3.89Å; V139-A293 WeakPolarHBondContact CA-O 3.09Å; V139-I294 HydrophobicContact CG2-CG1 4.3Å; V139-S319 WeakPolarHBondContact CG1-OG 3.33Å; V139-V322 HydrophobicContact CG2-CG1 4.44Å
140V98.5Very high98.6Very high0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-122.2130.1174.259.80000108.7I101 F138 M142 S147 L150 G292 A293 I295 Y310I101-V140 HydrophobicContact CD1-CG2 4.39Å; F138-V140 HydrophobicContact CD2-CB 4.27Å; F138-V140 HydrophobicContact CE2-CB 3.96Å; V140-M142 HydrophobicContact CG2-CB 4.3Å; V140-M142 HydrophobicContact CG2-CE 3.54Å; V140-M142 HydrophobicContact CG2-CG 4.21Å; V140-M142 PolarHBondContact O-N 2.81Å; V140-S147 WeakPolarHBondContact CG1-OG 3.49Å; V140-L150 HydrophobicContact CG2-CD2 4.4Å; V140-G292 WeakPolarHBondContact O-CA 3.48Å; V140-A293 HydrophobicContact CG1-CB 4.14Å; V140-A293 PolarHBondContact N-O 3.28Å; V140-A293 PolarHBondContact O-N 2.87Å; V140-I295 HydrophobicContact CG1-CD1 4.05Å; V140-I295 HydrophobicContact CG1-CG1 4.1Å; V140-Y310 HydrophobicContact CG2-CD2 4.24Å; V140-Y310 HydrophobicContact CG2-CE2 4.34Å
141P98.4Very high98.6Very high22 Ų2227 Ų2714%0.14315%0.148CC..SBendtrans-82.453.8-177.135.4-37000111.2G291 A314 S315 P318P141-G291 CarbonylContact C-O 3.57Å; P141-A314 HydrophobicContact CG-CB 3.33Å; P141-S315 WeakPolarHBondContact CB-O 3.43Å; P141-S315 WeakPolarHBondContact CG-O 3.05Å; P141-P318 HydrophobicContact CB-CB 4.46Å; P141-P318 HydrophobicContact CB-CG 3.66Å
142M98.4Very high98.7Very high33 Ų3327 Ų2716%0.16315%0.148CC..SBendtrans-134.6147.5171.8-65.1-168.4-67.200108.3V140 M146 S147 L150 G291 G292 A293 Y310V140-M142 HydrophobicContact CG2-CB 4.3Å; V140-M142 HydrophobicContact CG2-CE 3.54Å; V140-M142 HydrophobicContact CG2-CG 4.21Å; V140-M142 PolarHBondContact O-N 2.81Å; M142-M146 HydrophobicContact CB-CB 3.85Å; M142-M146 HydrophobicContact CG-CB 4.36Å; M142-M146 HydrophobicContact SD-CB 3.87Å; M142-M146 HydrophobicContact SD-CE 4.33Å; M142-S147 PolarHBondContact O-OG 3.4Å; M142-L150 HydrophobicContact CE-CB 4.13Å; M142-L150 HydrophobicContact CE-CD2 3.92Å; M142-G291 CarbonylContact C-O 3.48Å; M142-G291 WeakPolarHBondContact CA-O 3.4Å; M142-G291 PolarHBondContact N-O 2.58Å; M142-G291 VanDerWaalsContact N-O 3.1Å; M142-G292 CarbonylContact O-C 3.5Å; M142-G292 VanDerWaalsContact O-C 3.24Å; M142-G292 WeakPolarHBondContact O-CA 3.5Å; M142-A293 VanDerWaalsContact O-CB 3.24Å; M142-A293 WeakPolarHBondContact O-CB 3.45Å; M142-A293 PolarHBondContact O-N 3.1Å; M142-A293 VanDerWaalsContact O-N 3.12Å; M142-Y310 HydrophobicContact CE-CD2 3.9Å; M142-Y310 HydrophobicContact CE-CE2 3.84Å; M142-Y310 HydrophobicContact CG-CE2 4.36Å; M142-Y310 HydrophobicContact SD-CE2 3.96Å
143A98.3Very high98.7Very high41 Ų4119.8 Ų19.834%0.33912%0.124SC..  trans-61.8162.8171.700000111.4G145 M146 S147A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 2.91Å; A143-G145 VanDerWaalsContact O-N 3.12Å; A143-M146 PolarHBondContact O-N 3.2Å; A143-M146 VanDerWaalsContact O-N 3.08Å; A143-S147 PolarHBondContact O-N 2.77Å; A143-S147 PolarHBondContact O-OG 2.81Å; A143-S147 VanDerWaalsContact O-OG 3.05Å
144T98.8Very high98.7Very high13 Ų1317.2 Ų17.28%0.0811%0.106CC..Hα-helixtrans-51-41.3-176.2-47.60000113.3M146 S147 L148 A254 V279 S281T144-M146 PolarHBondContact O-N 3.07Å; T144-S147 WeakPolarHBondContact O-CB 3.49Å; T144-S147 PolarHBondContact O-N 3.36Å; T144-S147 VanDerWaalsContact O-N 3.17Å; T144-L148 HydrophobicContact CG2-CD1 4.23Å; T144-L148 HydrophobicContact CG2-CG 4.48Å; T144-L148 WeakPolarHBondContact O-CG 3.22Å; T144-L148 PolarHBondContact O-N 3.13Å; T144-A254 HydrophobicContact CG2-CB 4.06Å; T144-V279 HydrophobicContact CG2-CB 4.37Å; T144-V279 HydrophobicContact CG2-CG1 3.87Å; T144-S281 WeakPolarHBondContact OG1-CA 3.43Å; T144-S281 WeakPolarHBondContact OG1-CB 3.41Å; T144-S281 PolarHBondContact OG1-N 3.16Å
145G98.7Very high98.7Very high5 Ų517.1 Ų17.15%0.05211%0.106CC..Hα-helixtrans-59.9-46.8179.400000113.1A143 S147 L148 T149 S174 S178A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 2.91Å; A143-G145 VanDerWaalsContact O-N 3.12Å; G145-S147 VanDerWaalsContact C-N 3.28Å; G145-S147 PolarHBondContact O-N 3.23Å; G145-L148 WeakPolarHBondContact O-CB 3.43Å; G145-L148 PolarHBondContact O-N 3.02Å; G145-T149 PolarHBondContact O-N 3.37Å; G145-T149 PolarHBondContact O-OG1 3.3Å; G145-T149 VanDerWaalsContact O-OG1 3.1Å; G145-S174 WeakPolarHBondContact CA-OG 3.42Å; G145-S178 WeakPolarHBondContact O-CB 3.25Å
146M98.8Very high98.7Very high91 Ų9119.7 Ų19.745%0.44811%0.106SC..Hα-helixtrans-71.7-25.3176.8-77.3-57.3-61.200112.7M142 A143 T144 T149 L150 T181M142-M146 HydrophobicContact CB-CB 3.85Å; M142-M146 HydrophobicContact CG-CB 4.36Å; M142-M146 HydrophobicContact SD-CB 3.87Å; M142-M146 HydrophobicContact SD-CE 4.33Å; A143-M146 PolarHBondContact O-N 3.2Å; A143-M146 VanDerWaalsContact O-N 3.08Å; T144-M146 PolarHBondContact O-N 3.07Å; M146-T149 HydrophobicContact CE-CG2 4.45Å; M146-T149 WeakPolarHBondContact O-CB 3.3Å; M146-T149 PolarHBondContact O-N 2.97Å; M146-L150 PolarHBondContact O-N 3.49Å; M146-T181 HydrophobicContact SD-CG2 4.27Å
147S98.9Very high98.7Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-73.5-36174.7-55.80000111.9V140 M142 A143 T144 G145 L150 C151 A293V140-S147 WeakPolarHBondContact CG1-OG 3.49Å; M142-S147 PolarHBondContact O-OG 3.4Å; A143-S147 PolarHBondContact O-N 2.77Å; A143-S147 PolarHBondContact O-OG 2.81Å; A143-S147 VanDerWaalsContact O-OG 3.05Å; T144-S147 WeakPolarHBondContact O-CB 3.49Å; T144-S147 PolarHBondContact O-N 3.36Å; T144-S147 VanDerWaalsContact O-N 3.17Å; G145-S147 VanDerWaalsContact C-N 3.28Å; G145-S147 PolarHBondContact O-N 3.23Å; S147-L150 PolarHBondContact O-N 3.12Å; S147-C151 PolarHBondContact O-N 3.29Å; S147-C151 PolarHBondContact O-SG 3.46Å; S147-A293 VanDerWaalsContact OG-CB 3.31Å; S147-A293 WeakPolarHBondContact OG-CB 3.49Å
148L98.9Very high98.6Very high1 Ų129.5 Ų29.51%0.00514%0.144CC..Hα-helixtrans-62.9-45.3167.2-71.2164000110.7T144 G145 L150 C151 F152 C175 I250 N252 V279T144-L148 HydrophobicContact CG2-CD1 4.23Å; T144-L148 HydrophobicContact CG2-CG 4.48Å; T144-L148 WeakPolarHBondContact O-CG 3.22Å; T144-L148 PolarHBondContact O-N 3.13Å; G145-L148 WeakPolarHBondContact O-CB 3.43Å; G145-L148 PolarHBondContact O-N 3.02Å; L148-L150 VanDerWaalsContact C-N 3.27Å; L148-L150 PolarHBondContact O-N 3.43Å; L148-C151 WeakPolarHBondContact O-CB 3.44Å; L148-C151 PolarHBondContact O-N 3.11Å; L148-F152 HydrophobicContact CB-CE2 3.89Å; L148-F152 HydrophobicContact CB-CZ 4.02Å; L148-F152 HydrophobicContact CD2-CZ 4.4Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 VanDerWaalsContact O-CG 3.27Å; L148-F152 WeakPolarHBondContact O-CG 3.47Å; L148-F152 PolarHBondContact O-N 3.15Å; L148-C175 HydrophobicContact CD1-CB 4.17Å; L148-I250 HydrophobicContact CD2-CG2 3.76Å; L148-N252 HydrophobicContact CD1-CB 4.18Å; L148-N252 HydrophobicContact CD2-CB 4.38Å; L148-V279 HydrophobicContact CD2-CB 4Å; L148-V279 HydrophobicContact CD2-CG2 3.76Å; L148-V279 HydrophobicContact CG-CB 4.31Å; L148-V279 HydrophobicContact CG-CG1 4.49Å; L148-V279 HydrophobicContact CG-CG2 4.34Å
149T98.9Very high98.6Very high4 Ų431.1 Ų31.13%0.02515%0.15CC..Hα-helixtrans-52.4-45.9172.8-58.20000111.3G145 M146 C151 F152 L153 S178 T181 A182G145-T149 PolarHBondContact O-N 3.37Å; G145-T149 PolarHBondContact O-OG1 3.3Å; G145-T149 VanDerWaalsContact O-OG1 3.1Å; M146-T149 HydrophobicContact CE-CG2 4.45Å; M146-T149 WeakPolarHBondContact O-CB 3.3Å; M146-T149 PolarHBondContact O-N 2.97Å; T149-C151 VanDerWaalsContact C-N 3.33Å; T149-C151 PolarHBondContact O-N 2.88Å; T149-F152 PolarHBondContact O-N 2.9Å; T149-F152 VanDerWaalsContact O-N 3.16Å; T149-L153 HydrophobicContact CG2-CD1 4.05Å; T149-L153 HydrophobicContact CG2-CG 4.25Å; T149-L153 VanDerWaalsContact O-CG 3.31Å; T149-L153 WeakPolarHBondContact O-CG 3.4Å; T149-L153 PolarHBondContact O-N 2.88Å; T149-S178 WeakPolarHBondContact OG1-CA 3.36Å; T149-S178 PolarHBondContact OG1-O 3.02Å; T149-T181 HydrophobicContact CG2-CG2 4.1Å; T149-A182 HydrophobicContact CG2-CB 3.9Å
150L98.8Very high98.6Very high9 Ų936.1 Ų36.15%0.04718%0.183CC..Hα-helixtrans-61.1-39.6178.3-174.164.5000112.5V140 M142 M146 S147 L148 L153 T154 I295 I306 M309 Y310V140-L150 HydrophobicContact CG2-CD2 4.4Å; M142-L150 HydrophobicContact CE-CB 4.13Å; M142-L150 HydrophobicContact CE-CD2 3.92Å; M146-L150 PolarHBondContact O-N 3.49Å; S147-L150 PolarHBondContact O-N 3.12Å; L148-L150 VanDerWaalsContact C-N 3.27Å; L148-L150 PolarHBondContact O-N 3.43Å; L150-L153 PolarHBondContact O-N 3.11Å; L150-T154 PolarHBondContact O-N 3.28Å; L150-T154 PolarHBondContact O-OG1 3.11Å; L150-I295 HydrophobicContact CD2-CD1 4.08Å; L150-I306 HydrophobicContact CD2-CG2 3.99Å; L150-I306 HydrophobicContact CG-CG2 3.81Å; L150-M309 HydrophobicContact CD1-CB 4.13Å; L150-M309 HydrophobicContact CD1-CG 4.11Å; L150-Y310 HydrophobicContact CD2-CD2 4.26Å
151C98.9Very high98.5Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-60.5-45.9173.5-59.90000111.2S147 L148 T149 T154 L155 I250S147-C151 PolarHBondContact O-N 3.29Å; S147-C151 PolarHBondContact O-SG 3.46Å; L148-C151 WeakPolarHBondContact O-CB 3.44Å; L148-C151 PolarHBondContact O-N 3.11Å; T149-C151 VanDerWaalsContact C-N 3.33Å; T149-C151 PolarHBondContact O-N 2.88Å; C151-T154 WeakPolarHBondContact O-CB 3.49Å; C151-T154 PolarHBondContact O-N 2.9Å; C151-L155 PolarHBondContact O-N 2.83Å; C151-I250 HydrophobicContact CB-CD1 4.24Å; C151-I250 HydrophobicContact CB-CG2 4.39Å
152F98.9Very high98.6Very high0 Ų043.3 Ų43.30%021%0.214CC..Hα-helixtrans-67.1-40.1179.9-53.5-36000112.8L148 T149 T154 L155 R156 I165 S178 M179 A182 F184 L218 H221 I250L148-F152 HydrophobicContact CB-CE2 3.89Å; L148-F152 HydrophobicContact CB-CZ 4.02Å; L148-F152 HydrophobicContact CD2-CZ 4.4Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 VanDerWaalsContact O-CG 3.27Å; L148-F152 WeakPolarHBondContact O-CG 3.47Å; L148-F152 PolarHBondContact O-N 3.15Å; T149-F152 PolarHBondContact O-N 2.9Å; T149-F152 VanDerWaalsContact O-N 3.16Å; F152-T154 PolarHBondContact O-N 3.11Å; F152-L155 PolarHBondContact O-N 2.91Å; F152-R156 PolarHBondContact O-N 3.38Å; F152-I165 HydrophobicContact CB-CD1 4.41Å; F152-I165 HydrophobicContact CD1-CD1 3.97Å; F152-I165 HydrophobicContact CD2-CD1 4Å; F152-I165 HydrophobicContact CE1-CD1 4.24Å; F152-I165 HydrophobicContact CE2-CD1 4.26Å; F152-I165 HydrophobicContact CG-CD1 3.86Å; F152-I165 HydrophobicContact CZ-CD1 4.39Å; F152-S178 WeakPolarHBondContact CE2-OG 3.42Å; F152-M179 HydrophobicContact CD2-CG 4.47Å; F152-M179 HydrophobicContact CE2-CB 4.47Å; F152-M179 HydrophobicContact CE2-CG 3.77Å; F152-M179 HydrophobicContact CZ-CG 4.14Å; F152-A182 HydrophobicContact CB-CB 3.53Å; F152-A182 HydrophobicContact CD2-CB 3.92Å; F152-A182 HydrophobicContact CG-CB 4.23Å; F152-F184 HydrophobicContact CB-CD2 4.18Å; F152-F184 HydrophobicContact CB-CE2 4.04Å; F152-L218 HydrophobicContact CB-CD2 3.84Å; F152-L218 HydrophobicContact CD1-CD2 4.23Å; F152-L218 HydrophobicContact CG-CD2 4.31Å; F152-H221 HydrophobicContact CZ-CB 4.5Å; F152-H221 AromaticContact CZ-CE1 3.82Å; F152-H221 AromaticContact CZ-CG 3.9Å; F152-H221 AromaticContact CZ-ND1 3.64Å; F152-I250 HydrophobicContact CD1-CG1 4.49Å; F152-I250 HydrophobicContact CE1-CB 4.09Å; F152-I250 HydrophobicContact CE1-CG1 4.15Å; F152-I250 HydrophobicContact CE1-CG2 3.96Å
153L98.8Very high98.6Very high54 Ų5448.5 Ų48.528%0.28323%0.231SC..Hα-helixtrans-60.2-38.6173.9-70.2175.4000111.3T149 L150 R156 H157 A182T149-L153 HydrophobicContact CG2-CD1 4.05Å; T149-L153 HydrophobicContact CG2-CG 4.25Å; T149-L153 VanDerWaalsContact O-CG 3.31Å; T149-L153 WeakPolarHBondContact O-CG 3.4Å; T149-L153 PolarHBondContact O-N 2.88Å; L150-L153 PolarHBondContact O-N 3.11Å; L153-R156 VanDerWaalsContact O-CB 3.31Å; L153-R156 WeakPolarHBondContact O-CB 3.22Å; L153-R156 PolarHBondContact O-N 3.35Å; L153-H157 PolarHBondContact O-CD2 3.4Å; L153-A182 HydrophobicContact CD2-CB 4.43Å; L153-A182 HydrophobicContact CG-CB 4.47Å
154T98.7Very high98.6Very high3 Ų348.5 Ų48.52%0.01822%0.223CC..Hα-helixtrans-65.8-47.6175.3-50.20000111.1L150 C151 F152 R156 H157 F302 E305 I306 M309L150-T154 PolarHBondContact O-N 3.28Å; L150-T154 PolarHBondContact O-OG1 3.11Å; C151-T154 WeakPolarHBondContact O-CB 3.49Å; C151-T154 PolarHBondContact O-N 2.9Å; F152-T154 PolarHBondContact O-N 3.11Å; T154-R156 PolarHBondContact O-N 3.48Å; T154-H157 PolarHBondContact O-N 3.4Å; T154-F302 HydrophobicContact CG2-CE2 4.15Å; T154-E305 HydrophobicContact CG2-CB 4.01Å; T154-I306 HydrophobicContact CG2-CB 4.46Å; T154-I306 HydrophobicContact CG2-CG1 3.88Å; T154-I306 WeakPolarHBondContact OG1-CA 3.49Å; T154-M309 WeakPolarHBondContact OG1-CB 3.26Å
155L98.8Very high98.6Very high1 Ų147.9 Ų47.91%0.00522%0.219CC..Hα-helixtrans-61.7-28.3178.1-74.5177.2000113.4C151 F152 H157 R158 R159 L218 C219 P248 I250 F302C151-L155 PolarHBondContact O-N 2.83Å; F152-L155 PolarHBondContact O-N 2.91Å; L155-H157 PolarHBondContact O-N 3.44Å; L155-R158 CarbonylContact O-C 3.55Å; L155-R158 PolarHBondContact O-N 2.91Å; L155-R159 PolarHBondContact O-N 2.94Å; L155-L218 HydrophobicContact CB-CD1 3.59Å; L155-L218 HydrophobicContact CB-CD2 4.3Å; L155-L218 HydrophobicContact CB-CG 3.88Å; L155-L218 HydrophobicContact CD1-CG 4.32Å; L155-C219 HydrophobicContact CD1-CB 3.86Å; L155-P248 HydrophobicContact CD1-CB 3.88Å; L155-P248 HydrophobicContact CD1-CG 4.43Å; L155-P248 HydrophobicContact CD2-CB 3.81Å; L155-P248 HydrophobicContact CD2-CG 3.81Å; L155-I250 HydrophobicContact CD1-CD1 4Å; L155-I250 HydrophobicContact CD1-CG1 3.83Å; L155-F302 HydrophobicContact CD2-CE2 3.73Å; L155-F302 HydrophobicContact CD2-CZ 3.55Å; L155-F302 HydrophobicContact CG-CE2 4.34Å; L155-F302 HydrophobicContact CG-CZ 3.94Å
156R98.6Very high98.6Very high98 Ų9847.7 Ų47.737%0.3722%0.217SC..Hα-helixtrans-53.5-40.5175.5-170.2-176.3-75.3162.5-15.4112F152 L153 T154 R159 P160 A182 F184F152-R156 PolarHBondContact O-N 3.38Å; L153-R156 VanDerWaalsContact O-CB 3.31Å; L153-R156 WeakPolarHBondContact O-CB 3.22Å; L153-R156 PolarHBondContact O-N 3.35Å; T154-R156 PolarHBondContact O-N 3.48Å; R156-R159 CarbonylContact O-C 3.58Å; R156-R159 VanDerWaalsContact O-C 3.26Å; R156-R159 PolarHBondContact O-N 3.48Å; R156-P160 WeakPolarHBondContact O-CA 3.41Å; R156-A182 PolarHBondContact NH2-O 2.93Å; R156-F184 HydrophobicContact CB-CE2 4.44Å; R156-F184 HydrophobicContact CB-CZ 3.77Å; R156-F184 HydrophobicContact CG-CZ 3.94Å
157H97.9Very high98.6Very high135 Ų13543.3 Ų43.363%0.62520%0.196SC*.Hα-helixtrans-72-31.8179.6-69-82.2000112.3L153 T154 L155 M309L153-H157 PolarHBondContact O-CD2 3.4Å; T154-H157 PolarHBondContact O-N 3.4Å; L155-H157 PolarHBondContact O-N 3.44Å; H157-M309 WeakPolarHBondContact CD2-CE 3.46Å
158R97.9Very high98.6Very high101 Ų10143.4 Ų43.438%0.38120%0.196SC..Hα-helixtrans-76.5-29.6174.3-69.6-170.1171.7-158.5-4.8112.7L155 E305L155-R158 CarbonylContact O-C 3.55Å; L155-R158 PolarHBondContact O-N 2.91Å; R158-E305 IonicContact CZ-OE1 2.67Å; R158-E305 IonicContact CZ-OE2 2.72Å; R158-E305 IonicContact NE-OE1 2.84Å; R158-E305 IonicContact NE-OE2 2.71Å; R158-E305 PolarHBondContact NE-OE2 2.88Å; R158-E305 IonicContact NH2-OE1 3.86Å; R158-E305 PolarHBondContact NH2-OE1 2.81Å; R158-E305 IonicContact NH2-OE2 2.92Å; R158-E305 PolarHBondContact NH2-OE2 3.01Å
159R98.4Very high98.6Very high40 Ų4043.4 Ų43.415%0.15120%0.196CC..  trans-132.172.1-176.5-57.3-17375.784.9-8.1111L155 R156 K161 A162 A214 I217 L218 D246L155-R159 PolarHBondContact O-N 2.94Å; R156-R159 CarbonylContact O-C 3.58Å; R156-R159 VanDerWaalsContact O-C 3.26Å; R156-R159 PolarHBondContact O-N 3.48Å; R159-K161 PolarHBondContact O-N 3.17Å; R159-A162 HydrophobicContact CB-CB 3.85Å; R159-A162 VanDerWaalsContact O-CB 3.32Å; R159-A162 WeakPolarHBondContact O-CB 3.27Å; R159-A162 PolarHBondContact O-N 3.28Å; R159-A214 PolarHBondContact NH2-O 3.49Å; R159-I217 PolarHBondContact NE-O 2.97Å; R159-L218 HydrophobicContact CB-CD1 4.39Å; R159-D246 PolarHBondContact NH1-O 2.94Å; R159-D246 VanDerWaalsContact NH1-O 3.1Å
160P97.8Very high98.6Very high108 Ų10843.4 Ų43.470%0.70120%0.196SC*.THydrogen-bonded Turntrans-67.5-18.9-173.926.7-35.8000114.2R156R156-P160 WeakPolarHBondContact O-CA 3.41Å
161K97.9Very high98.6Very high161 Ų16143.1 Ų43.170%0.719%0.194SC*.THydrogen-bonded Turntrans-82.7-16.7175-63.7-176.3179.4-1790113R159R159-K161 PolarHBondContact O-N 3.17Å
162A98.6Very high98.6Very high12 Ų1246 Ų4610%0.09921%0.208CC..  trans-70.6137.5-174.500000112R159 F184 N216 L218R159-A162 HydrophobicContact CB-CB 3.85Å; R159-A162 VanDerWaalsContact O-CB 3.32Å; R159-A162 WeakPolarHBondContact O-CB 3.27Å; R159-A162 PolarHBondContact O-N 3.28Å; A162-F184 WeakPolarHBondContact O-CE1 3.33Å; A162-N216 CarbonylContact C-O 3.55Å; A162-N216 WeakPolarHBondContact CA-O 3.32Å; A162-L218 HydrophobicContact CB-CB 3.84Å; A162-L218 HydrophobicContact CB-CD1 4.01Å
163R98.6Very high98.5Very high141 Ų14150.8 Ų50.853%0.53223%0.229SC..  trans-122.7-29177.9177.4177.1166.8175-2.6112.3E185 N216R163-E185 HydrophobicContact CG-CB 4.46Å; R163-E185 IonicContact CZ-OE2 3.79Å; R163-E185 IonicContact NE-OE2 3Å; R163-E185 PolarHBondContact NE-OE2 2.77Å; R163-E185 IonicContact NH2-OE2 3.83Å; R163-E185 PolarHBondContact NH2-OE2 3.4Å; R163-E185 PolarHBondContact O-N 3.1Å; R163-N216 PolarHBondContact N-O 3.44Å
164Y98.9Very high98.5Very high42 Ų4250.8 Ų50.817%0.16523%0.233CC..EExtended strand (participates in β ladder)trans-106.5144.1-167.7-58.4-70.2000112.5E185 V187 L212 N216 L218Y164-E185 WeakPolarHBondContact CA-O 3.22Å; Y164-E185 HydrophobicContact CD1-CB 3.94Å; Y164-E185 HydrophobicContact CD1-CG 4.21Å; Y164-E185 HydrophobicContact CE1-CB 4.2Å; Y164-E185 HydrophobicContact CE1-CG 4.21Å; Y164-V187 HydrophobicContact CD1-CG2 3.67Å; Y164-V187 HydrophobicContact CG-CG2 4.02Å; Y164-L212 HydrophobicContact CD2-CB 4.35Å; Y164-L212 HydrophobicContact CD2-CD1 4.22Å; Y164-L212 HydrophobicContact CD2-CD2 4.27Å; Y164-L212 HydrophobicContact CE2-CD2 4.08Å; Y164-L212 HydrophobicContact CG-CD1 4.07Å; Y164-N216 HydrophobicContact CD2-CB 4.08Å; Y164-N216 WeakPolarHBondContact CD2-O 3.27Å; Y164-N216 HydrophobicContact CE2-CB 4.33Å; Y164-N216 PolarHBondContact N-O 3.29Å; Y164-L218 WeakPolarHBondContact O-CB 3.33Å; Y164-L218 PolarHBondContact O-N 3.43Å
165I98.9Very high98.5Very high0 Ų050.8 Ų50.80%023%0.233CC..EExtended strand (participates in β ladder)trans-118.2115.2165.3-63.9172.7000107.7F152 M179 F184 E185 V187 L218 H221F152-I165 HydrophobicContact CB-CD1 4.41Å; F152-I165 HydrophobicContact CD1-CD1 3.97Å; F152-I165 HydrophobicContact CD2-CD1 4Å; F152-I165 HydrophobicContact CE1-CD1 4.24Å; F152-I165 HydrophobicContact CE2-CD1 4.26Å; F152-I165 HydrophobicContact CG-CD1 3.86Å; F152-I165 HydrophobicContact CZ-CD1 4.39Å; I165-M179 HydrophobicContact CB-CG 4.23Å; I165-M179 HydrophobicContact CB-SD 3.84Å; I165-M179 HydrophobicContact CD1-CB 3.83Å; I165-M179 HydrophobicContact CD1-CG 3.73Å; I165-M179 HydrophobicContact CD1-SD 4.48Å; I165-M179 HydrophobicContact CG2-CG 3.98Å; I165-M179 HydrophobicContact CG2-SD 3.42Å; I165-M179 WeakPolarHBondContact CG2-SD 3.39Å; I165-F184 HydrophobicContact CD1-CB 3.64Å; I165-F184 HydrophobicContact CD1-CD2 3.97Å; I165-F184 HydrophobicContact CD1-CG 3.96Å; I165-F184 HydrophobicContact CG1-CB 3.89Å; I165-F184 HydrophobicContact CG1-CG 4.25Å; I165-E185 PolarHBondContact N-O 3.5Å; I165-V187 PolarHBondContact O-N 3.05Å; I165-L218 HydrophobicContact CD1-CD2 3.7Å; I165-L218 HydrophobicContact CG1-CB 3.99Å; I165-L218 HydrophobicContact CG1-CD2 3.81Å; I165-H221 HydrophobicContact CG2-CB 3.5Å; I165-H221 VanDerWaalsContact CG2-CB 3.5Å
166I98.9Very high98.5Very high0 Ų050.9 Ų50.90%023%0.233CC..EExtended strand (participates in β ladder)trans-76.4128175.6-61.4-179.5000108.6V187 V189 V205 K208 I209 I217 C219 V220 H221I166-V187 HydrophobicContact CG1-CB 4.36Å; I166-V189 HydrophobicContact CG2-CG2 3.72Å; I166-V205 HydrophobicContact CG2-CG1 4.17Å; I166-V205 HydrophobicContact CG2-CG2 4.31Å; I166-K208 HydrophobicContact CD1-CB 4.06Å; I166-I209 HydrophobicContact CD1-CG1 3.49Å; I166-I209 VanDerWaalsContact CD1-CG1 3.49Å; I166-I217 HydrophobicContact CD1-CD1 3.52Å; I166-I217 HydrophobicContact CD1-CG1 4.18Å; I166-I217 HydrophobicContact CD1-CG2 4.34Å; I166-I217 HydrophobicContact CG1-CD1 4.27Å; I166-I217 HydrophobicContact CG1-CG1 4.41Å; I166-I217 HydrophobicContact CG1-CG2 4.24Å; I166-C219 PolarHBondContact N-O 2.99Å; I166-C219 VanDerWaalsContact N-O 3.15Å; I166-V220 HydrophobicContact CB-CG2 4.42Å; I166-V220 WeakPolarHBondContact O-CA 3.25Å; I166-H221 PolarHBondContact O-N 3.42Å
167W98.9Very high98.5Very high0 Ų051.1 Ų51.10%024%0.237CC..EExtended strand (participates in β ladder)trans-140.9107.3-170.317878.5000111.5R169 I170 F176 M179 V187 V188 V189 H221 F419W167-R169 HydrophobicContact CH2-CG 4.47Å; W167-R169 HydrophobicContact CZ3-CB 4.19Å; W167-R169 HydrophobicContact CZ3-CG 4.14Å; W167-R169 PolarHBondContact O-N 2.9Å; W167-I170 HydrophobicContact CH2-CG2 4.25Å; W167-I170 WeakPolarHBondContact CH2-O 3.32Å; W167-I170 HydrophobicContact CZ2-CB 4.25Å; W167-I170 HydrophobicContact CZ2-CG2 3.36Å; W167-I170 VanDerWaalsContact CZ2-N 3.35Å; W167-I170 WeakPolarHBondContact CZ2-O 3.36Å; W167-F176 HydrophobicContact CE3-CD2 4.33Å; W167-F176 HydrophobicContact CH2-CB 4.34Å; W167-F176 HydrophobicContact CH2-CD2 4.08Å; W167-F176 HydrophobicContact CZ2-CB 4.43Å; W167-F176 AromaticContact CZ3-CD2 3.95Å; W167-F176 HydrophobicContact CZ3-CD2 3.95Å; W167-M179 HydrophobicContact CB-CE 3.97Å; W167-M179 HydrophobicContact CB-SD 3.84Å; W167-M179 HydrophobicContact CD2-CE 3.78Å; W167-M179 HydrophobicContact CE3-CE 4.36Å; W167-M179 HydrophobicContact CG-CE 3.59Å; W167-M179 HydrophobicContact CG-SD 3.96Å; W167-V187 PolarHBondContact N-O 3.34Å; W167-V188 HydrophobicContact CE3-CB 4.34Å; W167-V188 HydrophobicContact CE3-CG1 4.05Å; W167-V188 HydrophobicContact CE3-CG2 3.97Å; W167-V188 HydrophobicContact CZ3-CG1 3.95Å; W167-V188 HydrophobicContact CZ3-CG2 4.07Å; W167-V189 PolarHBondContact O-N 3.38Å; W167-H221 AromaticContact CD1-CE1 3.93Å; W167-H221 AromaticContact CD1-CG 3.65Å; W167-H221 AromaticContact CD1-ND1 3.38Å; W167-H221 AromaticContact NE1-ND1 3.92Å; W167-F419 HydrophobicContact CH2-CE1 4.48Å; W167-F419 HydrophobicContact CZ3-CE1 4.08Å; W167-F419 HydrophobicContact CZ3-CZ 4.28Å
168P98.9Very high98.6Very high1 Ų144.8 Ų44.81%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-59.1120.1169-24.435.5000110.8I170 T200 V205 H221 R230 D233 L238P168-I170 PolarHBondContact O-N 2.91Å; P168-T200 HydrophobicContact CB-CG2 4.3Å; P168-T200 HydrophobicContact CG-CG2 4.08Å; P168-V205 HydrophobicContact CG-CG2 4.39Å; P168-H221 WeakPolarHBondContact CD-O 3.43Å; P168-R230 PolarHBondContact O-NH2 3.26Å; P168-D233 WeakPolarHBondContact CB-OD1 3.04Å; P168-L238 HydrophobicContact CG-CD1 4.44Å
169R98.8Very high98.6Very high1 Ų140 Ų400%0.00419%0.19CC..  trans-55.8130-165177.7175.1168.6-174.8-7.2112.9W167 D171 V188 V189 E190 N191 R230 R420 G421 S426W167-R169 HydrophobicContact CH2-CG 4.47Å; W167-R169 HydrophobicContact CZ3-CB 4.19Å; W167-R169 HydrophobicContact CZ3-CG 4.14Å; W167-R169 PolarHBondContact O-N 2.9Å; R169-D171 IonicContact CZ-OD1 3.82Å; R169-D171 IonicContact CZ-OD2 2.97Å; R169-D171 IonicContact NE-OD1 2.73Å; R169-D171 PolarHBondContact NE-OD1 3.18Å; R169-D171 IonicContact NE-OD2 3.9Å; R169-D171 IonicContact NH2-OD1 3.9Å; R169-D171 PolarHBondContact NH2-OD1 3.19Å; R169-D171 IonicContact NH2-OD2 2.94Å; R169-D171 PolarHBondContact NH2-OD2 3.07Å; R169-D171 VanDerWaalsContact NH2-OD2 3.07Å; R169-V188 HydrophobicContact CB-CG1 3.89Å; R169-V188 HydrophobicContact CG-CG1 4.16Å; R169-V189 WeakPolarHBondContact CB-O 3.45Å; R169-V189 PolarHBondContact N-O 3.39Å; R169-E190 WeakPolarHBondContact CD-OE1 3.41Å; R169-E190 WeakPolarHBondContact CD-OE2 3.13Å; R169-E190 IonicContact CZ-OE1 3.79Å; R169-E190 IonicContact CZ-OE2 3.43Å; R169-E190 IonicContact NE-OE1 2.81Å; R169-E190 VanDerWaalsContact NH1-CD 3.31Å; R169-E190 IonicContact NH1-OE1 3.88Å; R169-E190 PolarHBondContact NH1-OE1 3.43Å; R169-E190 IonicContact NH1-OE2 3.1Å; R169-E190 PolarHBondContact NH1-OE2 3.14Å; R169-N191 PolarHBondContact O-ND2 3.08Å; R169-R230 WeakPolarHBondContact O-CD 3.49Å; R169-R230 PolarHBondContact O-NE 2.86Å; R169-R420 PolarHBondContact NH1-O 2.94Å; R169-R420 PolarHBondContact NH2-O 2.93Å; R169-G421 PolarHBondContact NH2-O 3.05Å; R169-S426 PolarHBondContact NH2-O 3.26Å
170I98.8Very high98.6Very high4 Ų440.6 Ų40.62%0.02120%0.196CC..  trans-140.9124.9163179.5-179.1000110.3W167 P168 Q172 T223 C226W167-I170 HydrophobicContact CH2-CG2 4.25Å; W167-I170 WeakPolarHBondContact CH2-O 3.32Å; W167-I170 HydrophobicContact CZ2-CB 4.25Å; W167-I170 HydrophobicContact CZ2-CG2 3.36Å; W167-I170 VanDerWaalsContact CZ2-N 3.35Å; W167-I170 WeakPolarHBondContact CZ2-O 3.36Å; P168-I170 PolarHBondContact O-N 2.91Å; I170-Q172 HydrophobicContact CG1-CB 4.46Å; I170-Q172 PolarHBondContact O-N 2.97Å; I170-T223 HydrophobicContact CD1-CG2 3.74Å; I170-T223 HydrophobicContact CG2-CG2 4.3Å; I170-C226 HydrophobicContact CD1-CB 3.43Å; I170-C226 VanDerWaalsContact CD1-CB 3.43Å; I170-C226 HydrophobicContact CG1-CB 4.34Å
171D98.6Very high98.7Very high4 Ų439.3 Ų39.32%0.02119%0.186CC..  trans-78.970.8-172.9-62.5-5.5000112.1R169 F422 M423 S424 H425R169-D171 IonicContact CZ-OD1 3.82Å; R169-D171 IonicContact CZ-OD2 2.97Å; R169-D171 IonicContact NE-OD1 2.73Å; R169-D171 PolarHBondContact NE-OD1 3.18Å; R169-D171 IonicContact NE-OD2 3.9Å; R169-D171 IonicContact NH2-OD1 3.9Å; R169-D171 PolarHBondContact NH2-OD1 3.19Å; R169-D171 IonicContact NH2-OD2 2.94Å; R169-D171 PolarHBondContact NH2-OD2 3.07Å; R169-D171 VanDerWaalsContact NH2-OD2 3.07Å; D171-F422 HydrophobicContact CB-CD2 3.84Å; D171-F422 HydrophobicContact CB-CE2 3.69Å; D171-F422 HydrophobicContact CB-CZ 4.25Å; D171-F422 WeakPolarHBondContact OD2-CA 3.47Å; D171-M423 WeakPolarHBondContact OD2-CA 3.2Å; D171-M423 PolarHBondContact OD2-N 3.27Å; D171-S424 PolarHBondContact OD2-N 3.29Å; D171-H425 WeakPolarHBondContact CB-ND1 3.49Å; D171-H425 PolarHBondContact N-ND1 2.83Å; D171-H425 WeakPolarHBondContact OD2-CA 3.49Å; D171-H425 PolarHBondContact OD2-N 3.23Å; D171-H425 IonicContact OD2-ND1 2.86Å
172Q98.1Very high98.7Very high61 Ų6131.6 Ų31.629%0.28515%0.152SC..  trans-134.9116.3177-161.6-79.23.500108.7I170 S174 C175 F176I170-Q172 HydrophobicContact CG1-CB 4.46Å; I170-Q172 PolarHBondContact O-N 2.97Å; Q172-S174 VanDerWaalsContact C-N 3.33Å; Q172-S174 PolarHBondContact O-N 3.19Å; Q172-S174 VanDerWaalsContact OE1-CA 3.31Å; Q172-S174 VanDerWaalsContact OE1-CB 3.31Å; Q172-C175 PolarHBondContact O-SG 3.2Å; Q172-F176 PolarHBondContact O-N 3.15Å
173K98.5Very high98.7Very high100 Ų10033.7 Ų33.744%0.43518%0.175SC..Hα-helixtrans-62-35.6-167.6-55.3-165.2175.5-1770114K177 I414 F422K173-K177 WeakPolarHBondContact O-CB 3.37Å; K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 2.77Å; K173-I414 HydrophobicContact CB-CD1 4.48Å; K173-I414 HydrophobicContact CD-CD1 4.2Å; K173-I414 HydrophobicContact CG-CD1 3.78Å; K173-F422 HydrophobicContact CG-CZ 4.07Å
174S98.5Very high98.7Very high53 Ų5327.6 Ų27.637%0.37115%0.152SC..Hα-helixtrans-71.3-46.5-173179.30000112.6G145 Q172 K177 S178G145-S174 WeakPolarHBondContact CA-OG 3.42Å; Q172-S174 VanDerWaalsContact C-N 3.33Å; Q172-S174 PolarHBondContact O-N 3.19Å; Q172-S174 VanDerWaalsContact OE1-CA 3.31Å; Q172-S174 VanDerWaalsContact OE1-CB 3.31Å; S174-K177 PolarHBondContact O-N 3.1Å; S174-S178 PolarHBondContact O-N 2.84Å
175C98.1Very high98.7Very high3 Ų329.4 Ų29.42%0.0216%0.163CC..Hα-helixtrans-67.7-37.2177650000111.3L148 Q172 S178L148-C175 HydrophobicContact CD1-CB 4.17Å; Q172-C175 PolarHBondContact O-SG 3.2Å; C175-S178 PolarHBondContact O-N 3.27Å; C175-S178 PolarHBondContact O-OG 2.96Å
176F98.8Very high98.7Very high3 Ų330.4 Ų30.41%0.01317%0.169CC..Hα-helixtrans-61.9-49.8171.5-177.5-104.8000112.1W167 Q172 S178 M179 I180 P186 V188 I414 H417 F419W167-F176 HydrophobicContact CE3-CD2 4.33Å; W167-F176 HydrophobicContact CH2-CB 4.34Å; W167-F176 HydrophobicContact CH2-CD2 4.08Å; W167-F176 HydrophobicContact CZ2-CB 4.43Å; W167-F176 AromaticContact CZ3-CD2 3.95Å; W167-F176 HydrophobicContact CZ3-CD2 3.95Å; Q172-F176 PolarHBondContact O-N 3.15Å; F176-S178 PolarHBondContact O-N 3.19Å; F176-M179 HydrophobicContact CD2-CE 3.79Å; F176-M179 HydrophobicContact CE2-CE 4.44Å; F176-M179 HydrophobicContact CG-CE 4.49Å; F176-M179 PolarHBondContact O-N 3.18Å; F176-I180 HydrophobicContact CD1-CD1 4.08Å; F176-I180 HydrophobicContact CE1-CD1 3.45Å; F176-I180 VanDerWaalsContact CE1-CD1 3.45Å; F176-I180 HydrophobicContact CZ-CD1 3.81Å; F176-P186 HydrophobicContact CD2-CB 4.26Å; F176-P186 HydrophobicContact CD2-CG 4.38Å; F176-P186 HydrophobicContact CE2-CB 3.6Å; F176-P186 HydrophobicContact CE2-CG 3.75Å; F176-P186 HydrophobicContact CZ-CB 4.27Å; F176-P186 HydrophobicContact CZ-CG 4.02Å; F176-V188 HydrophobicContact CE2-CG2 3.9Å; F176-I414 HydrophobicContact CD1-CB 4.22Å; F176-I414 HydrophobicContact CD1-CG2 3.77Å; F176-I414 HydrophobicContact CE1-CB 4.24Å; F176-I414 HydrophobicContact CE1-CG2 4.11Å; F176-I414 WeakPolarHBondContact CE1-O 3.39Å; F176-H417 HydrophobicContact CE1-CB 4.14Å; F176-H417 HydrophobicContact CZ-CB 3.6Å; F176-F419 HydrophobicContact CD1-CE2 4.11Å; F176-F419 HydrophobicContact CD1-CZ 4.25Å; F176-F419 HydrophobicContact CD2-CE2 4.38Å; F176-F419 AromaticContact CD2-CZ 3.71Å; F176-F419 HydrophobicContact CD2-CZ 3.71Å; F176-F419 AromaticContact CE1-CE2 3.95Å; F176-F419 HydrophobicContact CE1-CE2 3.95Å; F176-F419 HydrophobicContact CE1-CZ 4.18Å; F176-F419 HydrophobicContact CE2-CE2 4.23Å; F176-F419 AromaticContact CE2-CZ 3.63Å; F176-F419 HydrophobicContact CE2-CZ 3.63Å; F176-F419 HydrophobicContact CG-CE2 4.32Å; F176-F419 HydrophobicContact CG-CZ 4.03Å; F176-F419 HydrophobicContact CZ-CE2 4.02Å; F176-F419 AromaticContact CZ-CZ 3.88Å; F176-F419 HydrophobicContact CZ-CZ 3.88Å
177K98.8Very high98.7Very high103 Ų10331.2 Ų31.245%0.44817%0.174SC..Hα-helixtrans-63.9-24.3177.9-75.1-177.465.4159.30113.5K173 S174 M179 I180 T181 I414K173-K177 WeakPolarHBondContact O-CB 3.37Å; K173-K177 WeakPolarHBondContact O-CG 3.47Å; K173-K177 PolarHBondContact O-N 2.77Å; S174-K177 PolarHBondContact O-N 3.1Å; K177-M179 VanDerWaalsContact C-N 3.31Å; K177-M179 PolarHBondContact O-N 3.36Å; K177-I180 PolarHBondContact O-N 3.09Å; K177-T181 VanDerWaalsContact O-CB 3.26Å; K177-T181 WeakPolarHBondContact O-CB 3.28Å; K177-T181 PolarHBondContact O-N 3.32Å; K177-T181 PolarHBondContact O-OG1 3.45Å; K177-I414 HydrophobicContact CD-CG2 4.36Å; K177-I414 HydrophobicContact CG-CG2 4.03Å
178S98.9Very high98.7Very high2 Ų232.6 Ų32.61%0.01418%0.182CC..Hα-helixtrans-61.9-39.7179.868.50000112.6G145 T149 F152 S174 C175 F176 T181 A182G145-S178 WeakPolarHBondContact O-CB 3.25Å; T149-S178 WeakPolarHBondContact OG1-CA 3.36Å; T149-S178 PolarHBondContact OG1-O 3.02Å; F152-S178 WeakPolarHBondContact CE2-OG 3.42Å; S174-S178 PolarHBondContact O-N 2.84Å; C175-S178 PolarHBondContact O-N 3.27Å; C175-S178 PolarHBondContact O-OG 2.96Å; F176-S178 PolarHBondContact O-N 3.19Å; S178-T181 PolarHBondContact O-N 3.23Å; S178-A182 WeakPolarHBondContact O-CB 3.33Å; S178-A182 PolarHBondContact O-N 2.95Å
179M98.9Very high98.7Very high0 Ų032.8 Ų32.80%018%0.183CC..Hα-helixtrans-63-47.9176.7-64.3-179.5-76.700111.2F152 I165 W167 F176 K177 A182 G183 F184 P186 H221F152-M179 HydrophobicContact CD2-CG 4.47Å; F152-M179 HydrophobicContact CE2-CB 4.47Å; F152-M179 HydrophobicContact CE2-CG 3.77Å; F152-M179 HydrophobicContact CZ-CG 4.14Å; I165-M179 HydrophobicContact CB-CG 4.23Å; I165-M179 HydrophobicContact CB-SD 3.84Å; I165-M179 HydrophobicContact CD1-CB 3.83Å; I165-M179 HydrophobicContact CD1-CG 3.73Å; I165-M179 HydrophobicContact CD1-SD 4.48Å; I165-M179 HydrophobicContact CG2-CG 3.98Å; I165-M179 HydrophobicContact CG2-SD 3.42Å; I165-M179 WeakPolarHBondContact CG2-SD 3.39Å; W167-M179 HydrophobicContact CB-CE 3.97Å; W167-M179 HydrophobicContact CB-SD 3.84Å; W167-M179 HydrophobicContact CD2-CE 3.78Å; W167-M179 HydrophobicContact CE3-CE 4.36Å; W167-M179 HydrophobicContact CG-CE 3.59Å; W167-M179 HydrophobicContact CG-SD 3.96Å; F176-M179 HydrophobicContact CD2-CE 3.79Å; F176-M179 HydrophobicContact CE2-CE 4.44Å; F176-M179 HydrophobicContact CG-CE 4.49Å; F176-M179 PolarHBondContact O-N 3.18Å; K177-M179 VanDerWaalsContact C-N 3.31Å; K177-M179 PolarHBondContact O-N 3.36Å; M179-A182 CarbonylContact O-C 3.58Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 2.93Å; M179-G183 PolarHBondContact O-N 3.25Å; M179-F184 PolarHBondContact O-N 3.39Å; M179-F184 VanDerWaalsContact O-N 3.09Å; M179-P186 HydrophobicContact CB-CG 3.94Å; M179-P186 HydrophobicContact CE-CB 3.76Å; M179-P186 HydrophobicContact CE-CG 4.08Å; M179-P186 HydrophobicContact SD-CB 4.06Å; M179-P186 HydrophobicContact SD-CG 4.4Å; M179-H221 HydrophobicContact SD-CB 4.44Å; M179-H221 PolarHBondContact SD-ND1 2.88Å; M179-H221 VanDerWaalsContact SD-ND1 3.41Å
180I98.8Very high98.7Very high54 Ų5435.6 Ų35.628%0.27720%0.196SC..Hα-helixtrans-68.7-40-179.9-58.8174.3000111.5F176 K177 A182 G183 P186F176-I180 HydrophobicContact CD1-CD1 4.08Å; F176-I180 HydrophobicContact CE1-CD1 3.45Å; F176-I180 VanDerWaalsContact CE1-CD1 3.45Å; F176-I180 HydrophobicContact CZ-CD1 3.81Å; K177-I180 PolarHBondContact O-N 3.09Å; I180-A182 PolarHBondContact O-N 3.36Å; I180-G183 WeakPolarHBondContact O-CA 3.4Å; I180-G183 PolarHBondContact O-N 2.98Å; I180-P186 HydrophobicContact CD1-CG 4.04Å; I180-P186 HydrophobicContact CG1-CG 3.56Å
181T98.8Very high98.7Very high80 Ų8036 Ų3649%0.49120%0.199SC..Hα-helixtrans-63.3-34.6176.1-55.50000110.6M146 T149 K177 S178 G183M146-T181 HydrophobicContact SD-CG2 4.27Å; T149-T181 HydrophobicContact CG2-CG2 4.1Å; K177-T181 VanDerWaalsContact O-CB 3.26Å; K177-T181 WeakPolarHBondContact O-CB 3.28Å; K177-T181 PolarHBondContact O-N 3.32Å; K177-T181 PolarHBondContact O-OG1 3.45Å; S178-T181 PolarHBondContact O-N 3.23Å; T181-G183 PolarHBondContact O-N 3.24Å
182A98.7Very high98.7Very high0 Ų038.5 Ų38.50%021%0.214CC..THydrogen-bonded Turntrans-75.88.317000000113.2T149 F152 L153 R156 S178 M179 I180 F184T149-A182 HydrophobicContact CG2-CB 3.9Å; F152-A182 HydrophobicContact CB-CB 3.53Å; F152-A182 HydrophobicContact CD2-CB 3.92Å; F152-A182 HydrophobicContact CG-CB 4.23Å; L153-A182 HydrophobicContact CD2-CB 4.43Å; L153-A182 HydrophobicContact CG-CB 4.47Å; R156-A182 PolarHBondContact NH2-O 2.93Å; S178-A182 WeakPolarHBondContact O-CB 3.33Å; S178-A182 PolarHBondContact O-N 2.95Å; M179-A182 CarbonylContact O-C 3.58Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 2.93Å; I180-A182 PolarHBondContact O-N 3.36Å; A182-F184 HydrophobicContact CB-CD2 3.78Å; A182-F184 HydrophobicContact CB-CE2 4.11Å; A182-F184 WeakPolarHBondContact O-CD2 3.42Å; A182-F184 WeakPolarHBondContact O-CE2 3.38Å; A182-F184 PolarHBondContact O-N 3.28Å
183G98.6Very high98.7Very high56 Ų5638.7 Ų38.758%0.57722%0.22SC*.THydrogen-bonded Turntrans71.523.2175.400000115.3M179 I180 T181M179-G183 PolarHBondContact O-N 3.25Å; I180-G183 WeakPolarHBondContact O-CA 3.4Å; I180-G183 PolarHBondContact O-N 2.98Å; T181-G183 PolarHBondContact O-N 3.24Å
184F98.8Very high98.7Very high12 Ų1237.3 Ų37.35%0.05322%0.215CC..  trans-110.4157.6177.3-63.8-78.8000111.9F152 R156 A162 I165 M179 A182 P186 L218F152-F184 HydrophobicContact CB-CD2 4.18Å; F152-F184 HydrophobicContact CB-CE2 4.04Å; R156-F184 HydrophobicContact CB-CE2 4.44Å; R156-F184 HydrophobicContact CB-CZ 3.77Å; R156-F184 HydrophobicContact CG-CZ 3.94Å; A162-F184 WeakPolarHBondContact O-CE1 3.33Å; I165-F184 HydrophobicContact CD1-CB 3.64Å; I165-F184 HydrophobicContact CD1-CD2 3.97Å; I165-F184 HydrophobicContact CD1-CG 3.96Å; I165-F184 HydrophobicContact CG1-CB 3.89Å; I165-F184 HydrophobicContact CG1-CG 4.25Å; M179-F184 PolarHBondContact O-N 3.39Å; M179-F184 VanDerWaalsContact O-N 3.09Å; A182-F184 HydrophobicContact CB-CD2 3.78Å; A182-F184 HydrophobicContact CB-CE2 4.11Å; A182-F184 WeakPolarHBondContact O-CD2 3.42Å; A182-F184 WeakPolarHBondContact O-CE2 3.38Å; A182-F184 PolarHBondContact O-N 3.28Å; F184-P186 WeakPolarHBondContact O-CD 3.43Å; F184-L218 HydrophobicContact CD1-CB 4.29Å; F184-L218 HydrophobicContact CD1-CD2 3.97Å; F184-L218 HydrophobicContact CD1-CG 4.49Å; F184-L218 HydrophobicContact CD2-CD2 3.54Å; F184-L218 HydrophobicContact CE1-CB 4.19Å; F184-L218 HydrophobicContact CE1-CD1 3.67Å; F184-L218 HydrophobicContact CE1-CD2 3.75Å; F184-L218 HydrophobicContact CE1-CG 4.07Å; F184-L218 HydrophobicContact CE2-CD1 4.26Å; F184-L218 HydrophobicContact CE2-CD2 3.31Å; F184-L218 HydrophobicContact CE2-CG 4.36Å; F184-L218 HydrophobicContact CG-CD2 3.86Å; F184-L218 HydrophobicContact CZ-CD1 3.49Å; F184-L218 VanDerWaalsContact CZ-CD1 3.49Å; F184-L218 HydrophobicContact CZ-CD2 3.4Å; F184-L218 VanDerWaalsContact CZ-CD2 3.4Å; F184-L218 HydrophobicContact CZ-CG 3.98Å
185E98.8Very high98.6Very high81 Ų8138.2 Ų38.238%0.37923%0.232SC..EExtended strand (participates in β ladder)trans-91.5115.3178.5-170.9174.1154.100110.4R163 Y164 I165 V187R163-E185 HydrophobicContact CG-CB 4.46Å; R163-E185 IonicContact CZ-OE2 3.79Å; R163-E185 IonicContact NE-OE2 3Å; R163-E185 PolarHBondContact NE-OE2 2.77Å; R163-E185 IonicContact NH2-OE2 3.83Å; R163-E185 PolarHBondContact NH2-OE2 3.4Å; R163-E185 PolarHBondContact O-N 3.1Å; Y164-E185 WeakPolarHBondContact CA-O 3.22Å; Y164-E185 HydrophobicContact CD1-CB 3.94Å; Y164-E185 HydrophobicContact CD1-CG 4.21Å; Y164-E185 HydrophobicContact CE1-CB 4.2Å; Y164-E185 HydrophobicContact CE1-CG 4.21Å; I165-E185 PolarHBondContact N-O 3.5Å; E185-V187 PolarHBondContact O-N 2.94Å
186P98.8Very high98.6Very high21 Ų2139.4 Ų39.414%0.13624%0.238CC..EExtended strand (participates in β ladder)trans-70.5125.3176.4-17.632.4000111.2F176 M179 I180 F184F176-P186 HydrophobicContact CD2-CB 4.26Å; F176-P186 HydrophobicContact CD2-CG 4.38Å; F176-P186 HydrophobicContact CE2-CB 3.6Å; F176-P186 HydrophobicContact CE2-CG 3.75Å; F176-P186 HydrophobicContact CZ-CB 4.27Å; F176-P186 HydrophobicContact CZ-CG 4.02Å; M179-P186 HydrophobicContact CB-CG 3.94Å; M179-P186 HydrophobicContact CE-CB 3.76Å; M179-P186 HydrophobicContact CE-CG 4.08Å; M179-P186 HydrophobicContact SD-CB 4.06Å; M179-P186 HydrophobicContact SD-CG 4.4Å; I180-P186 HydrophobicContact CD1-CG 4.04Å; I180-P186 HydrophobicContact CG1-CG 3.56Å; F184-P186 WeakPolarHBondContact O-CD 3.43Å
187V98.8Very high98.6Very high17 Ų1739.6 Ų39.610%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-96.494.5169179.90000106.9Y164 I165 I166 W167 E185 V189 K208 L212Y164-V187 HydrophobicContact CD1-CG2 3.67Å; Y164-V187 HydrophobicContact CG-CG2 4.02Å; I165-V187 PolarHBondContact O-N 3.05Å; I166-V187 HydrophobicContact CG1-CB 4.36Å; W167-V187 PolarHBondContact N-O 3.34Å; E185-V187 PolarHBondContact O-N 2.94Å; V187-V189 PolarHBondContact O-N 3.37Å; V187-K208 HydrophobicContact CG1-CB 4.25Å; V187-K208 HydrophobicContact CG1-CD 3.88Å; V187-K208 HydrophobicContact CG1-CG 3.91Å; V187-L212 HydrophobicContact CB-CD1 4.44Å; V187-L212 HydrophobicContact CG1-CD1 4.17Å; V187-L212 HydrophobicContact CG2-CD1 3.68Å
188V98.8Very high98.7Very high28 Ų2834.7 Ų34.717%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-71.6119.7-179.2-177.30000109W167 R169 F176 F419W167-V188 HydrophobicContact CE3-CB 4.34Å; W167-V188 HydrophobicContact CE3-CG1 4.05Å; W167-V188 HydrophobicContact CE3-CG2 3.97Å; W167-V188 HydrophobicContact CZ3-CG1 3.95Å; W167-V188 HydrophobicContact CZ3-CG2 4.07Å; R169-V188 HydrophobicContact CB-CG1 3.89Å; R169-V188 HydrophobicContact CG-CG1 4.16Å; F176-V188 HydrophobicContact CE2-CG2 3.9Å; V188-F419 HydrophobicContact CG1-CE1 4.24Å; V188-F419 HydrophobicContact CG2-CE1 4.33Å; V188-F419 HydrophobicContact CG2-CZ 4.44Å
189V98.8Very high98.6Very high5 Ų536.6 Ų36.63%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-103.8118173.5-179.80000108.1I166 W167 R169 V187 D201 A204 V205 K208I166-V189 HydrophobicContact CG2-CG2 3.72Å; W167-V189 PolarHBondContact O-N 3.38Å; R169-V189 WeakPolarHBondContact CB-O 3.45Å; R169-V189 PolarHBondContact N-O 3.39Å; V187-V189 PolarHBondContact O-N 3.37Å; V189-D201 HydrophobicContact CG1-CB 4.26Å; V189-A204 HydrophobicContact CG1-CB 3.6Å; V189-V205 HydrophobicContact CB-CG2 4.36Å; V189-V205 HydrophobicContact CG1-CG2 3.97Å; V189-V205 HydrophobicContact CG2-CG2 4.22Å; V189-K208 HydrophobicContact CG2-CG 4.39Å
190E98.6Very high98.6Very high60 Ų6036.7 Ų36.728%0.2823%0.225SC..PPolyproline II helixtrans-62.6154.9175.8-70.4-61.5136.100111.4R169 D201R169-E190 WeakPolarHBondContact CD-OE1 3.41Å; R169-E190 WeakPolarHBondContact CD-OE2 3.13Å; R169-E190 IonicContact CZ-OE1 3.79Å; R169-E190 IonicContact CZ-OE2 3.43Å; R169-E190 IonicContact NE-OE1 2.81Å; R169-E190 VanDerWaalsContact NH1-CD 3.31Å; R169-E190 IonicContact NH1-OE1 3.88Å; R169-E190 PolarHBondContact NH1-OE1 3.43Å; R169-E190 IonicContact NH1-OE2 3.1Å; R169-E190 PolarHBondContact NH1-OE2 3.14Å; E190-D201 WeakPolarHBondContact O-CB 3.38Å
191N98.8Very high98.7Very high14 Ų1435.5 Ų35.58%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-87.8155178.7-60.4-67000110.7R169 L198 R199 H425R169-N191 PolarHBondContact O-ND2 3.08Å; N191-L198 HydrophobicContact CB-CB 3.92Å; N191-L198 HydrophobicContact CB-CD2 4.36Å; N191-R199 CarbonylContact C-O 3.58Å; N191-R199 VanDerWaalsContact CA-O 3.31Å; N191-R199 WeakPolarHBondContact CA-O 3.42Å; N191-R199 WeakPolarHBondContact CB-O 3.46Å; N191-H425 PolarHBondContact ND2-O 2.91Å
192V98.4Very high98.6Very high55 Ų5533.5 Ų33.533%0.33321%0.205SC..EExtended strand (participates in β ladder)trans-90.5137.8168.6-174.70000109.7E194 L198 R199 D201V192-E194 HydrophobicContact CG1-CG 4.44Å; V192-L198 WeakPolarHBondContact O-CA 3.49Å; V192-R199 PolarHBondContact N-O 3.49Å; V192-R199 PolarHBondContact O-N 2.99Å; V192-D201 HydrophobicContact CG2-CB 3.54Å
193T98.3Very high98.6Very high66 Ų6639.9 Ų39.941%0.40524%0.235SC..EExtended strand (participates in β ladder)trans-82.1115.8171.7-53.70000110.3G195 E197 L198T193-G195 WeakPolarHBondContact CG2-O 3.37Å; T193-E197 CarbonylContact C-O 3.48Å; T193-E197 WeakPolarHBondContact CA-O 3.23Å; T193-L198 WeakPolarHBondContact OG1-CD2 3.47Å
194E98.3Very high98.7Very high71 Ų7138 Ų3833%0.33221%0.214SC..EExtended strand (participates in β ladder)trans-118.796.2174.7-71.1-178.8-154.200109.3V192 D196 E197 R199 R234V192-E194 HydrophobicContact CG1-CG 4.44Å; E194-D196 PolarHBondContact O-N 3.24Å; E194-E197 PolarHBondContact N-O 3.09Å; E194-E197 PolarHBondContact O-N 2.91Å; E194-E197 VanDerWaalsContact O-N 3.09Å; E194-R199 HydrophobicContact CB-CG 4.37Å; E194-R199 WeakPolarHBondContact OE2-CD 3.46Å; E194-R199 IonicContact OE2-CZ 3.88Å; E194-R199 IonicContact OE2-NE 3.1Å; E194-R199 IonicContact OE2-NH1 2.86Å; E194-R199 PolarHBondContact OE2-NH1 2.71Å; E194-R234 IonicContact OE1-CZ 2.73Å; E194-R234 IonicContact OE1-NH1 3.71Å; E194-R234 PolarHBondContact OE1-NH1 3.11Å; E194-R234 IonicContact OE1-NH2 3.72Å; E194-R234 PolarHBondContact OE1-NH2 2.85Å; E194-R234 IonicContact OE2-NH2 2.74Å; E194-R234 PolarHBondContact OE2-NH2 2.9Å
195G97.9Very high98.7Very high71 Ų7137.4 Ų37.473%0.73221%0.211SC*.THydrogen-bonded Turntrans66.6-120.7-16900000110.6T193T193-G195 WeakPolarHBondContact CG2-O 3.37Å
196D98.4Very high98.6Very high28 Ų2835.5 Ų35.515%0.1520%0.203CC..THydrogen-bonded Turntrans-90.3-7.7172.8-71.2-38.2000112.9E194 P229 R362 L364 H365 Y429E194-D196 PolarHBondContact O-N 3.24Å; D196-P229 WeakPolarHBondContact O-CB 3.42Å; D196-R362 VanDerWaalsContact CG-NH1 3.31Å; D196-R362 IonicContact OD1-CZ 3.66Å; D196-R362 IonicContact OD1-NH1 2.66Å; D196-R362 PolarHBondContact OD1-NH1 2.77Å; D196-R362 IonicContact OD1-NH2 3.45Å; D196-R362 PolarHBondContact OD1-NH2 3.41Å; D196-R362 IonicContact OD2-CZ 2.73Å; D196-R362 IonicContact OD2-NH1 3.42Å; D196-R362 PolarHBondContact OD2-NH1 2.69Å; D196-R362 IonicContact OD2-NH2 3.07Å; D196-L364 HydrophobicContact CB-CB 4.18Å; D196-H365 PolarHBondContact OD2-N 3.17Å; D196-Y429 PolarHBondContact O-OH 3.14Å
197E98.8Very high98.6Very high8 Ų840.8 Ų40.84%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-91146.7-173.9-65.9-175.5154.200112.3T193 E194 R199 P229 V231 T366 P367 H368T193-E197 CarbonylContact C-O 3.48Å; T193-E197 WeakPolarHBondContact CA-O 3.23Å; E194-E197 PolarHBondContact N-O 3.09Å; E194-E197 PolarHBondContact O-N 2.91Å; E194-E197 VanDerWaalsContact O-N 3.09Å; E197-R199 HydrophobicContact CB-CG 4.03Å; E197-P229 WeakPolarHBondContact CA-O 3.43Å; E197-V231 HydrophobicContact CB-CG1 4.03Å; E197-V231 VanDerWaalsContact CD-CG1 3.48Å; E197-V231 HydrophobicContact CG-CG1 3.76Å; E197-V231 WeakPolarHBondContact OE1-CG1 3.44Å; E197-T366 HydrophobicContact CG-CG2 4Å; E197-T366 VanDerWaalsContact OE1-CA 3.28Å; E197-T366 WeakPolarHBondContact OE1-CA 3.36Å; E197-P367 WeakPolarHBondContact OE1-CD 3.32Å; E197-H368 VanDerWaalsContact CD-ND1 3.29Å; E197-H368 WeakPolarHBondContact OE1-CB 3.45Å; E197-H368 IonicContact OE1-CG 3.12Å; E197-H368 PolarHBondContact OE1-N 3.27Å; E197-H368 IonicContact OE1-ND1 3.74Å; E197-H368 PolarHBondContact OE1-ND1 3.36Å; E197-H368 VanDerWaalsContact OE1-ND1 3.12Å; E197-H368 IonicContact OE2-CE1 2.71Å; E197-H368 IonicContact OE2-CG 2.87Å; E197-H368 IonicContact OE2-ND1 3.49Å; E197-H368 PolarHBondContact OE2-ND1 2.92Å
198L98.9Very high98.6Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-101.6117.3165.1-66.6174.3000109.3N191 V192 T193 P229 R230 V231 S424 H425 Y429N191-L198 HydrophobicContact CB-CB 3.92Å; N191-L198 HydrophobicContact CB-CD2 4.36Å; V192-L198 WeakPolarHBondContact O-CA 3.49Å; T193-L198 WeakPolarHBondContact OG1-CD2 3.47Å; L198-P229 HydrophobicContact CD1-CG 4.08Å; L198-P229 HydrophobicContact CG-CG 4.34Å; L198-P229 PolarHBondContact N-O 3.26Å; L198-R230 HydrophobicContact CB-CB 4.27Å; L198-R230 HydrophobicContact CB-CG 4.49Å; L198-R230 WeakPolarHBondContact O-CA 3.48Å; L198-V231 PolarHBondContact O-N 3.07Å; L198-S424 WeakPolarHBondContact CD1-O 3.35Å; L198-H425 HydrophobicContact CD1-CB 3.83Å; L198-Y429 HydrophobicContact CD1-CD2 3.88Å; L198-Y429 HydrophobicContact CD1-CE2 4.35Å; L198-Y429 HydrophobicContact CD2-CD2 4.12Å; L198-Y429 HydrophobicContact CD2-CE2 4.44Å; L198-Y429 HydrophobicContact CG-CD2 4.03Å; L198-Y429 HydrophobicContact CG-CE2 4.14Å
199R98.8Very high98.6Very high42 Ų4241.8 Ų41.816%0.15822%0.22CC..EExtended strand (participates in β ladder)trans-122.2163.8-173.5-53.3-16570.7-169.85.2112N191 V192 E194 E197 D201 V231N191-R199 CarbonylContact C-O 3.58Å; N191-R199 VanDerWaalsContact CA-O 3.31Å; N191-R199 WeakPolarHBondContact CA-O 3.42Å; N191-R199 WeakPolarHBondContact CB-O 3.46Å; V192-R199 PolarHBondContact N-O 3.49Å; V192-R199 PolarHBondContact O-N 2.99Å; E194-R199 HydrophobicContact CB-CG 4.37Å; E194-R199 WeakPolarHBondContact OE2-CD 3.46Å; E194-R199 IonicContact OE2-CZ 3.88Å; E194-R199 IonicContact OE2-NE 3.1Å; E194-R199 IonicContact OE2-NH1 2.86Å; E194-R199 PolarHBondContact OE2-NH1 2.71Å; E197-R199 HydrophobicContact CB-CG 4.03Å; R199-D201 PolarHBondContact O-N 2.73Å; R199-V231 HydrophobicContact CB-CG2 4.42Å; R199-V231 HydrophobicContact CG-CG2 3.68Å
200T98.9Very high98.6Very high1 Ų146.5 Ų46.51%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-59.1123.7179.7-42.10000111.6P168 L202 D233 R234 L238P168-T200 HydrophobicContact CB-CG2 4.3Å; P168-T200 HydrophobicContact CG-CG2 4.08Å; T200-L202 HydrophobicContact CG2-CD2 4.09Å; T200-L202 PolarHBondContact O-N 3.42Å; T200-L202 VanDerWaalsContact O-N 3.17Å; T200-D233 WeakPolarHBondContact OG1-CA 3.45Å; T200-D233 WeakPolarHBondContact OG1-CB 3.43Å; T200-D233 PolarHBondContact OG1-OD1 3.43Å; T200-R234 PolarHBondContact OG1-N 3.34Å; T200-L238 HydrophobicContact CG2-CD1 3.98Å; T200-L238 HydrophobicContact CG2-CD2 4.07Å; T200-L238 HydrophobicContact CG2-CG 4.18Å
201D98.8Very high98.6Very high30 Ų3049.7 Ų49.716%0.1626%0.261CS..  trans-79.490.6167.9-168-23.3000110.3V189 E190 V192 R199 E203 A204 V205 R207V189-D201 HydrophobicContact CG1-CB 4.26Å; E190-D201 WeakPolarHBondContact O-CB 3.38Å; V192-D201 HydrophobicContact CG2-CB 3.54Å; R199-D201 PolarHBondContact O-N 2.73Å; D201-E203 VanDerWaalsContact C-N 3.27Å; D201-E203 PolarHBondContact O-N 3.47Å; D201-E203 PolarHBondContact OD1-N 2.83Å; D201-E203 VanDerWaalsContact OD1-N 3.15Å; D201-A204 HydrophobicContact CB-CB 3.83Å; D201-A204 PolarHBondContact O-N 3.45Å; D201-A204 PolarHBondContact OD1-N 2.86Å; D201-A204 VanDerWaalsContact OD2-CB 3.31Å; D201-A204 WeakPolarHBondContact OD2-CB 3.28Å; D201-V205 WeakPolarHBondContact O-CG2 3.45Å; D201-V205 PolarHBondContact O-N 3.4Å; D201-R207 IonicContact OD2-NH2 3.62Å
202L98.8Very high98.6Very high37 Ų3750.5 Ų50.519%0.19427%0.265CS..Hα-helixtrans-64-34.1-179.8-65.5172.7000112.2T200 Q206 R234 E237 L238T200-L202 HydrophobicContact CG2-CD2 4.09Å; T200-L202 PolarHBondContact O-N 3.42Å; T200-L202 VanDerWaalsContact O-N 3.17Å; L202-Q206 WeakPolarHBondContact O-CB 3.39Å; L202-Q206 PolarHBondContact O-N 3.24Å; L202-R234 HydrophobicContact CD2-CB 4.22Å; L202-E237 HydrophobicContact CD1-CB 3.55Å; L202-E237 HydrophobicContact CD1-CG 3.79Å; L202-E237 HydrophobicContact CD2-CB 3.72Å; L202-E237 HydrophobicContact CG-CB 4.3Å; L202-L238 HydrophobicContact CD2-CD2 3.87Å; L202-L238 HydrophobicContact CD2-CG 4.08Å
203E98.7Very high98.6Very high134 Ų13448.8 Ų48.863%0.62626%0.258SS*.Hα-helixtrans-69.9-43179-64-174.8-17900111D201 V205 Q206 R207D201-E203 VanDerWaalsContact C-N 3.27Å; D201-E203 PolarHBondContact O-N 3.47Å; D201-E203 PolarHBondContact OD1-N 2.83Å; D201-E203 VanDerWaalsContact OD1-N 3.15Å; E203-V205 VanDerWaalsContact C-N 3.35Å; E203-Q206 PolarHBondContact O-N 2.95Å; E203-R207 WeakPolarHBondContact O-CB 3.05Å; E203-R207 VanDerWaalsContact O-CG 3.32Å; E203-R207 WeakPolarHBondContact O-CG 3.09Å; E203-R207 PolarHBondContact O-N 2.74Å; E203-R207 IonicContact OE2-NH1 3.98Å; E203-R207 PolarHBondContact OE2-NH1 3.15Å
204A98.7Very high98.6Very high16 Ų1646.7 Ų46.713%0.13225%0.247CC..Hα-helixtrans-65.8-37.717600000112.2V189 D201 R207 K208V189-A204 HydrophobicContact CG1-CB 3.6Å; D201-A204 HydrophobicContact CB-CB 3.83Å; D201-A204 PolarHBondContact O-N 3.45Å; D201-A204 PolarHBondContact OD1-N 2.86Å; D201-A204 VanDerWaalsContact OD2-CB 3.31Å; D201-A204 WeakPolarHBondContact OD2-CB 3.28Å; A204-R207 PolarHBondContact O-N 2.92Å; A204-K208 WeakPolarHBondContact O-CG 3.47Å; A204-K208 PolarHBondContact O-N 3.26Å
205V98.8Very high98.6Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-59.9-49.9171.6172.50000110.3I166 P168 V189 D201 E203 R207 K208 I209 L238 M241I166-V205 HydrophobicContact CG2-CG1 4.17Å; I166-V205 HydrophobicContact CG2-CG2 4.31Å; P168-V205 HydrophobicContact CG-CG2 4.39Å; V189-V205 HydrophobicContact CB-CG2 4.36Å; V189-V205 HydrophobicContact CG1-CG2 3.97Å; V189-V205 HydrophobicContact CG2-CG2 4.22Å; D201-V205 WeakPolarHBondContact O-CG2 3.45Å; D201-V205 PolarHBondContact O-N 3.4Å; E203-V205 VanDerWaalsContact C-N 3.35Å; V205-R207 PolarHBondContact O-N 3.18Å; V205-K208 PolarHBondContact O-N 2.92Å; V205-I209 HydrophobicContact CG1-CD1 4.16Å; V205-I209 WeakPolarHBondContact O-CG1 3.34Å; V205-I209 PolarHBondContact O-N 3.09Å; V205-L238 HydrophobicContact CB-CD2 4.44Å; V205-L238 HydrophobicContact CG1-CD2 3.99Å; V205-L238 HydrophobicContact CG2-CD2 4.21Å; V205-M241 HydrophobicContact CB-SD 4.3Å; V205-M241 HydrophobicContact CG1-SD 3.55Å; V205-M241 VanDerWaalsContact CG1-SD 3.55Å
206Q98.7Very high98.6Very high42 Ų4247.2 Ų47.220%0.19623%0.232CC..Hα-helixtrans-59.7-46.9178.7-177.755.264.200111.5L202 E203 K208 I209 D210 M241 H245L202-Q206 WeakPolarHBondContact O-CB 3.39Å; L202-Q206 PolarHBondContact O-N 3.24Å; E203-Q206 PolarHBondContact O-N 2.95Å; Q206-K208 VanDerWaalsContact C-N 3.28Å; Q206-K208 PolarHBondContact O-N 3.09Å; Q206-I209 WeakPolarHBondContact O-CB 3.13Å; Q206-I209 PolarHBondContact O-N 3.42Å; Q206-D210 PolarHBondContact NE2-OD1 3.46Å; Q206-D210 PolarHBondContact NE2-OD2 2.98Å; Q206-D210 PolarHBondContact O-N 3.39Å; Q206-M241 HydrophobicContact CB-CE 3.83Å; Q206-M241 HydrophobicContact CB-SD 4.23Å; Q206-H245 PolarHBondContact NE2-CE1 3.05Å; Q206-H245 PolarHBondContact NE2-NE2 2.99Å; Q206-H245 PolarHBondContact OE1-NE2 3.21Å
207R98.8Very high98.6Very high132 Ų13245.9 Ų45.950%0.49823%0.225SC..Hα-helixtrans-55.8-41.9175.4-75.6-172.8-64.7-105.40.4112D201 E203 A204 V205 D210 E211D201-R207 IonicContact OD2-NH2 3.62Å; E203-R207 WeakPolarHBondContact O-CB 3.05Å; E203-R207 VanDerWaalsContact O-CG 3.32Å; E203-R207 WeakPolarHBondContact O-CG 3.09Å; E203-R207 PolarHBondContact O-N 2.74Å; E203-R207 IonicContact OE2-NH1 3.98Å; E203-R207 PolarHBondContact OE2-NH1 3.15Å; A204-R207 PolarHBondContact O-N 2.92Å; V205-R207 PolarHBondContact O-N 3.18Å; R207-D210 PolarHBondContact O-N 2.79Å; R207-E211 VanDerWaalsContact O-CB 3.24Å; R207-E211 WeakPolarHBondContact O-CB 3.38Å; R207-E211 PolarHBondContact O-N 2.94Å
208K98.8Very high98.6Very high63 Ų6345.5 Ų45.527%0.27422%0.224SC..Hα-helixtrans-70.5-30.4177.5-72.6-61.5177.8-163.60113.5I166 V187 V189 A204 V205 Q206 E211 L212I166-K208 HydrophobicContact CD1-CB 4.06Å; V187-K208 HydrophobicContact CG1-CB 4.25Å; V187-K208 HydrophobicContact CG1-CD 3.88Å; V187-K208 HydrophobicContact CG1-CG 3.91Å; V189-K208 HydrophobicContact CG2-CG 4.39Å; A204-K208 WeakPolarHBondContact O-CG 3.47Å; A204-K208 PolarHBondContact O-N 3.26Å; V205-K208 PolarHBondContact O-N 2.92Å; Q206-K208 VanDerWaalsContact C-N 3.28Å; Q206-K208 PolarHBondContact O-N 3.09Å; K208-E211 WeakPolarHBondContact CD-OE2 3.49Å; K208-E211 IonicContact NZ-OE1 3.58Å; K208-E211 PolarHBondContact NZ-OE1 3.04Å; K208-E211 IonicContact NZ-OE2 3.89Å; K208-E211 PolarHBondContact NZ-OE2 3.06Å; K208-L212 VanDerWaalsContact O-CB 3.3Å; K208-L212 WeakPolarHBondContact O-CB 3.2Å; K208-L212 WeakPolarHBondContact O-CD1 3.44Å; K208-L212 VanDerWaalsContact O-CG 3.26Å; K208-L212 WeakPolarHBondContact O-CG 3.42Å; K208-L212 PolarHBondContact O-N 3Å; K208-L212 VanDerWaalsContact O-N 3.14Å
209I98.6Very high98.7Very high2 Ų245.5 Ų45.51%0.0122%0.224CC..Hα-helixtrans-64.3-47.9170.3-66.8169.4000110.4I166 V205 Q206 G213 I217 M241 H245 I247I166-I209 HydrophobicContact CD1-CG1 3.49Å; I166-I209 VanDerWaalsContact CD1-CG1 3.49Å; V205-I209 HydrophobicContact CG1-CD1 4.16Å; V205-I209 WeakPolarHBondContact O-CG1 3.34Å; V205-I209 PolarHBondContact O-N 3.09Å; Q206-I209 WeakPolarHBondContact O-CB 3.13Å; Q206-I209 PolarHBondContact O-N 3.42Å; I209-G213 WeakPolarHBondContact O-CA 3.41Å; I209-G213 PolarHBondContact O-N 2.82Å; I209-I217 HydrophobicContact CB-CD1 4.22Å; I209-I217 HydrophobicContact CG1-CD1 3.98Å; I209-I217 HydrophobicContact CG2-CD1 4.36Å; I209-M241 HydrophobicContact CD1-CG 3.78Å; I209-M241 HydrophobicContact CD1-SD 3.53Å; I209-M241 VanDerWaalsContact CD1-SD 3.53Å; I209-H245 HydrophobicContact CG2-CB 4.28Å; I209-I247 HydrophobicContact CB-CD1 4.48Å; I209-I247 HydrophobicContact CD1-CD1 4.02Å; I209-I247 HydrophobicContact CG1-CD1 3.94Å; I209-I247 HydrophobicContact CG2-CD1 3.76Å
210D98.4Very high98.7Very high105 Ų10543.5 Ų43.556%0.56122%0.216SC*.Hα-helixtrans-67.8-39.1-178-60.8-34.2000112.1Q206 R207Q206-D210 PolarHBondContact NE2-OD1 3.46Å; Q206-D210 PolarHBondContact NE2-OD2 2.98Å; Q206-D210 PolarHBondContact O-N 3.39Å; R207-D210 PolarHBondContact O-N 2.79Å
211E98.5Very high98.7Very high127 Ų12743.5 Ų43.559%0.59322%0.216SC*.Hα-helixtrans-67.1-42.9178.7-179.4-172.4146.600112.8R207 K208R207-E211 VanDerWaalsContact O-CB 3.24Å; R207-E211 WeakPolarHBondContact O-CB 3.38Å; R207-E211 PolarHBondContact O-N 2.94Å; K208-E211 WeakPolarHBondContact CD-OE2 3.49Å; K208-E211 IonicContact NZ-OE1 3.58Å; K208-E211 PolarHBondContact NZ-OE1 3.04Å; K208-E211 IonicContact NZ-OE2 3.89Å; K208-E211 PolarHBondContact NZ-OE2 3.06Å
212L98.5Very high98.7Very high31 Ų3142 Ų4216%0.16221%0.208CC..Hα-helixtrans-92.1-19.4-172.4-61.1172.7000113.1Y164 V187 K208 N216 I217Y164-L212 HydrophobicContact CD2-CB 4.35Å; Y164-L212 HydrophobicContact CD2-CD1 4.22Å; Y164-L212 HydrophobicContact CD2-CD2 4.27Å; Y164-L212 HydrophobicContact CE2-CD2 4.08Å; Y164-L212 HydrophobicContact CG-CD1 4.07Å; V187-L212 HydrophobicContact CB-CD1 4.44Å; V187-L212 HydrophobicContact CG1-CD1 4.17Å; V187-L212 HydrophobicContact CG2-CD1 3.68Å; K208-L212 VanDerWaalsContact O-CB 3.3Å; K208-L212 WeakPolarHBondContact O-CB 3.2Å; K208-L212 WeakPolarHBondContact O-CD1 3.44Å; K208-L212 VanDerWaalsContact O-CG 3.26Å; K208-L212 WeakPolarHBondContact O-CG 3.42Å; K208-L212 PolarHBondContact O-N 3Å; K208-L212 VanDerWaalsContact O-N 3.14Å; L212-N216 WeakPolarHBondContact O-CB 3.27Å; L212-N216 PolarHBondContact O-ND2 2.98Å; L212-I217 HydrophobicContact CB-CD1 4.37Å; L212-I217 HydrophobicContact CB-CG1 4.4Å
213G98.4Very high98.7Very high18 Ų1840.3 Ų40.319%0.18620%0.199CC..  trans78.2131.4-171.500000112.2I209 E215 N216I209-G213 WeakPolarHBondContact O-CA 3.41Å; I209-G213 PolarHBondContact O-N 2.82Å; G213-E215 PolarHBondContact O-N 2.89Å; G213-N216 PolarHBondContact O-N 2.89Å
214A98.1Very high98.7Very high22 Ų2233.9 Ų33.918%0.18217%0.169CC..G310 helixtrans-57.4-34.6-175.600000113.1R159 N216 I217 H245 I247R159-A214 PolarHBondContact NH2-O 3.49Å; A214-N216 VanDerWaalsContact C-N 3.28Å; A214-N216 PolarHBondContact O-N 3.12Å; A214-I217 PolarHBondContact O-N 2.89Å; A214-H245 HydrophobicContact CB-CB 4.44Å; A214-I247 HydrophobicContact CB-CD1 3.88Å; A214-I247 HydrophobicContact CB-CG1 3.98Å
215E98.1Very high98.7Very high104 Ų10433.3 Ų33.349%0.48616%0.164SC..G310 helixtrans-66.6-25.5178.873.2-74.8-179.600113.9G213 I217G213-E215 PolarHBondContact O-N 2.89Å; E215-I217 VanDerWaalsContact C-N 3.33Å
216N98.7Very high98.7Very high50 Ų5033.4 Ų33.427%0.26716%0.164SC..G310 helixtrans-88.8-5.7178.2-57.7-52.6000112.1A162 R163 Y164 L212 G213 A214A162-N216 CarbonylContact C-O 3.55Å; A162-N216 WeakPolarHBondContact CA-O 3.32Å; R163-N216 PolarHBondContact N-O 3.44Å; Y164-N216 HydrophobicContact CD2-CB 4.08Å; Y164-N216 WeakPolarHBondContact CD2-O 3.27Å; Y164-N216 HydrophobicContact CE2-CB 4.33Å; Y164-N216 PolarHBondContact N-O 3.29Å; L212-N216 WeakPolarHBondContact O-CB 3.27Å; L212-N216 PolarHBondContact O-ND2 2.98Å; G213-N216 PolarHBondContact O-N 2.89Å; A214-N216 VanDerWaalsContact C-N 3.28Å; A214-N216 PolarHBondContact O-N 3.12Å
217I98.9Very high98.7Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-97.4126.8178.3-62.6160.8000109.5R159 I166 I209 L212 A214 E215 I247R159-I217 PolarHBondContact NE-O 2.97Å; I166-I217 HydrophobicContact CD1-CD1 3.52Å; I166-I217 HydrophobicContact CD1-CG1 4.18Å; I166-I217 HydrophobicContact CD1-CG2 4.34Å; I166-I217 HydrophobicContact CG1-CD1 4.27Å; I166-I217 HydrophobicContact CG1-CG1 4.41Å; I166-I217 HydrophobicContact CG1-CG2 4.24Å; I209-I217 HydrophobicContact CB-CD1 4.22Å; I209-I217 HydrophobicContact CG1-CD1 3.98Å; I209-I217 HydrophobicContact CG2-CD1 4.36Å; L212-I217 HydrophobicContact CB-CD1 4.37Å; L212-I217 HydrophobicContact CB-CG1 4.4Å; A214-I217 PolarHBondContact O-N 2.89Å; E215-I217 VanDerWaalsContact C-N 3.33Å; I217-I247 HydrophobicContact CB-CD1 4.3Å; I217-I247 HydrophobicContact CB-CG2 4.49Å; I217-I247 HydrophobicContact CD1-CD1 3.98Å; I217-I247 HydrophobicContact CG2-CD1 4.32Å; I217-I247 HydrophobicContact CG2-CG2 3.71Å
218L98.9Very high98.7Very high0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-75.6-49.7178-176.677.1000110.1F152 L155 R159 A162 Y164 I165 F184 P248F152-L218 HydrophobicContact CB-CD2 3.84Å; F152-L218 HydrophobicContact CD1-CD2 4.23Å; F152-L218 HydrophobicContact CG-CD2 4.31Å; L155-L218 HydrophobicContact CB-CD1 3.59Å; L155-L218 HydrophobicContact CB-CD2 4.3Å; L155-L218 HydrophobicContact CB-CG 3.88Å; L155-L218 HydrophobicContact CD1-CG 4.32Å; R159-L218 HydrophobicContact CB-CD1 4.39Å; A162-L218 HydrophobicContact CB-CB 3.84Å; A162-L218 HydrophobicContact CB-CD1 4.01Å; Y164-L218 WeakPolarHBondContact O-CB 3.33Å; Y164-L218 PolarHBondContact O-N 3.43Å; I165-L218 HydrophobicContact CD1-CD2 3.7Å; I165-L218 HydrophobicContact CG1-CB 3.99Å; I165-L218 HydrophobicContact CG1-CD2 3.81Å; F184-L218 HydrophobicContact CD1-CB 4.29Å; F184-L218 HydrophobicContact CD1-CD2 3.97Å; F184-L218 HydrophobicContact CD1-CG 4.49Å; F184-L218 HydrophobicContact CD2-CD2 3.54Å; F184-L218 HydrophobicContact CE1-CB 4.19Å; F184-L218 HydrophobicContact CE1-CD1 3.67Å; F184-L218 HydrophobicContact CE1-CD2 3.75Å; F184-L218 HydrophobicContact CE1-CG 4.07Å; F184-L218 HydrophobicContact CE2-CD1 4.26Å; F184-L218 HydrophobicContact CE2-CD2 3.31Å; F184-L218 HydrophobicContact CE2-CG 4.36Å; F184-L218 HydrophobicContact CG-CD2 3.86Å; F184-L218 HydrophobicContact CZ-CD1 3.49Å; F184-L218 VanDerWaalsContact CZ-CD1 3.49Å; F184-L218 HydrophobicContact CZ-CD2 3.4Å; F184-L218 VanDerWaalsContact CZ-CD2 3.4Å; F184-L218 HydrophobicContact CZ-CG 3.98Å; L218-P248 WeakPolarHBondContact O-CD 3.48Å; L218-P248 WeakPolarHBondContact O-CG 3.48Å
219C98.9Very high98.7Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-163.8165.2176.561.10000111.9L155 I166 P248 I250L155-C219 HydrophobicContact CD1-CB 3.86Å; I166-C219 PolarHBondContact N-O 2.99Å; I166-C219 VanDerWaalsContact N-O 3.15Å; C219-P248 CarbonylContact C-O 3.48Å; C219-P248 WeakPolarHBondContact CA-O 3.41Å; C219-P248 HydrophobicContact CB-CB 4.02Å; C219-P248 WeakPolarHBondContact CB-O 3.39Å; C219-I250 HydrophobicContact CB-CG1 4.08Å
220V98.9Very high98.7Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-86.6127.9155.4177.40000108I166 L238 C242 I247 P248 H249 I250I166-V220 HydrophobicContact CB-CG2 4.42Å; I166-V220 WeakPolarHBondContact O-CA 3.25Å; V220-L238 HydrophobicContact CG1-CD2 4.35Å; V220-C242 VanDerWaalsContact CG2-SG 3.51Å; V220-I247 HydrophobicContact CG2-CG2 4.21Å; V220-P248 PolarHBondContact N-O 3.04Å; V220-H249 PolarHBondContact O-CD2 2.92Å; V220-I250 PolarHBondContact O-N 3.35Å
221H98.9Very high98.7Very high0 Ų019.7 Ų19.70%010%0.103CC..EExtended strand (participates in β ladder)trans-110.690.5179.4178.8-161.6000109.7F152 I165 I166 W167 P168 M179 I250F152-H221 HydrophobicContact CZ-CB 4.5Å; F152-H221 AromaticContact CZ-CE1 3.82Å; F152-H221 AromaticContact CZ-CG 3.9Å; F152-H221 AromaticContact CZ-ND1 3.64Å; I165-H221 HydrophobicContact CG2-CB 3.5Å; I165-H221 VanDerWaalsContact CG2-CB 3.5Å; I166-H221 PolarHBondContact O-N 3.42Å; W167-H221 AromaticContact CD1-CE1 3.93Å; W167-H221 AromaticContact CD1-CG 3.65Å; W167-H221 AromaticContact CD1-ND1 3.38Å; W167-H221 AromaticContact NE1-ND1 3.92Å; P168-H221 WeakPolarHBondContact CD-O 3.43Å; M179-H221 HydrophobicContact SD-CB 4.44Å; M179-H221 PolarHBondContact SD-ND1 2.88Å; M179-H221 VanDerWaalsContact SD-ND1 3.41Å; H221-I250 VanDerWaalsContact CA-O 3.31Å; H221-I250 WeakPolarHBondContact CA-O 3.48Å
222S98.9Very high98.7Very high0 Ų014.3 Ų14.30%08%0.079CC..EExtended strand (participates in β ladder)trans-90.6167.3-179.664.30000111.8L235 H249 I250 N252S222-L235 VanDerWaalsContact OG-CD2 3.27Å; S222-L235 WeakPolarHBondContact OG-CD2 3.06Å; S222-H249 WeakPolarHBondContact CB-NE2 3.37Å; S222-H249 PolarHBondContact OG-NE2 2.87Å; S222-I250 PolarHBondContact N-O 2.67Å; S222-I250 VanDerWaalsContact N-O 3.12Å; S222-N252 WeakPolarHBondContact O-CB 3.4Å; S222-N252 PolarHBondContact O-N 2.98Å
223T99Very high98.8Very high0 Ų012.9 Ų12.90%07%0.072CC..EExtended strand (participates in β ladder)trans-136.9127.1179.8-580000111.7I170 R230 D233 N252I170-T223 HydrophobicContact CD1-CG2 3.74Å; I170-T223 HydrophobicContact CG2-CG2 4.3Å; T223-R230 PolarHBondContact O-NH1 3.44Å; T223-D233 PolarHBondContact N-OD2 3.14Å; T223-D233 PolarHBondContact O-N 3.21Å; T223-N252 WeakPolarHBondContact CA-O 3.45Å; T223-N252 HydrophobicContact CG2-CB 4.32Å; T223-N252 PolarHBondContact OG1-ND2 2.99Å
224T98.9Very high98.8Very high0 Ų014.4 Ų14.40%07%0.072CC..SBendtrans-86.8-71173.552.90000111.4C226 P232 L235 V251 N252 N253 I266T224-C226 PolarHBondContact O-N 3.47Å; T224-P232 WeakPolarHBondContact O-CA 3.32Å; T224-P232 WeakPolarHBondContact O-CB 3.4Å; T224-P232 VanDerWaalsContact O-CG 3.31Å; T224-P232 WeakPolarHBondContact O-CG 3.42Å; T224-L235 HydrophobicContact CG2-CD1 3.56Å; T224-L235 HydrophobicContact CG2-CG 4.26Å; T224-V251 HydrophobicContact CG2-CG1 3.85Å; T224-N252 PolarHBondContact N-O 3.07Å; T224-N252 VanDerWaalsContact N-O 3.11Å; T224-N253 WeakPolarHBondContact OG1-CA 3.31Å; T224-N253 PolarHBondContact OG1-OD1 3.48Å; T224-I266 HydrophobicContact CG2-CD1 4.21Å; T224-I266 HydrophobicContact CG2-CG1 4.08Å
225S98.6Very high98.8Very high4 Ų413.4 Ų13.43%0.0286%0.063CC..SBendtrans-74.8110.1-174.8630000110.5A254 Y255S225-A254 PolarHBondContact OG-N 2.88Å; S225-Y255 VanDerWaalsContact C-CZ 3.4Å; S225-Y255 VanDerWaalsContact CB-CD2 3.44Å; S225-Y255 VanDerWaalsContact O-CE1 3.28Å; S225-Y255 WeakPolarHBondContact O-CE1 3.49Å; S225-Y255 VanDerWaalsContact O-CZ 3.25Å; S225-Y255 PolarHBondContact O-OH 3.25Å; S225-Y255 VanDerWaalsContact OG-CD1 3.3Å; S225-Y255 WeakPolarHBondContact OG-CD1 3.49Å; S225-Y255 PolarHBondContact OG-N 3.12Å
226C98.8Very high98.9Very high1 Ų111.7 Ų11.71%0.0076%0.055CC..  trans-139167.8-177.261.90000112.3I170 T224 R230 V231 Y255 N369I170-C226 HydrophobicContact CD1-CB 3.43Å; I170-C226 VanDerWaalsContact CD1-CB 3.43Å; I170-C226 HydrophobicContact CG1-CB 4.34Å; T224-C226 PolarHBondContact O-N 3.47Å; C226-R230 HydrophobicContact CB-CB 4.48Å; C226-R230 HydrophobicContact CB-CG 4.4Å; C226-R230 PolarHBondContact SG-O 3.32Å; C226-V231 VanDerWaalsContact SG-CA 3.55Å; C226-V231 PolarHBondContact SG-O 3.4Å; C226-Y255 WeakPolarHBondContact CA-OH 3.3Å; C226-Y255 PolarHBondContact N-OH 3.33Å; C226-Y255 PolarHBondContact O-OH 2.82Å; C226-N369 PolarHBondContact O-ND2 3.5Å
227F98.8Very high98.9Very high56 Ų5613.1 Ų13.125%0.2466%0.06CC..  trans-81.7136.4175.8-54.6-81.9000109.6R230 Y255 R404 H425F227-R230 WeakPolarHBondContact O-CB 3.4Å; F227-R230 PolarHBondContact O-N 2.95Å; F227-Y255 PolarHBondContact N-OH 3.29Å; F227-R404 VanDerWaalsContact CE2-NH1 3.31Å; F227-H425 PolarHBondContact O-NE2 3.06Å
228A98.8Very high98.9Very high0 Ų013.1 Ų13.10%06%0.06CC..THydrogen-bonded Turntrans-59.4149171.400000109.5R230 T366 N369 S372 A374 Y433 N435A228-R230 VanDerWaalsContact C-N 3.34Å; A228-T366 HydrophobicContact CB-CG2 4.42Å; A228-N369 PolarHBondContact N-ND2 3.4Å; A228-S372 PolarHBondContact N-OG 3.17Å; A228-A374 HydrophobicContact CB-CB 3.97Å; A228-Y433 WeakPolarHBondContact O-CE2 3.38Å; A228-N435 PolarHBondContact O-ND2 3.34Å; A228-N435 PolarHBondContact O-OD1 2.91Å
229P98.7Very high98.9Very high0 Ų013.1 Ų13.10%06%0.06CC..THydrogen-bonded Turncis-80.1-4.37.730.9-34000115D196 E197 L198 L364 T366 Y429 Y433D196-P229 WeakPolarHBondContact O-CB 3.42Å; E197-P229 WeakPolarHBondContact CA-O 3.43Å; L198-P229 HydrophobicContact CD1-CG 4.08Å; L198-P229 HydrophobicContact CG-CG 4.34Å; L198-P229 PolarHBondContact N-O 3.26Å; P229-L364 HydrophobicContact CB-CD1 4.46Å; P229-T366 HydrophobicContact CB-CG2 4.19Å; P229-Y429 HydrophobicContact CB-CE2 3.8Å; P229-Y429 HydrophobicContact CG-CD1 4.41Å; P229-Y429 HydrophobicContact CG-CD2 3.91Å; P229-Y429 HydrophobicContact CG-CE1 3.97Å; P229-Y429 HydrophobicContact CG-CE2 3.38Å; P229-Y429 HydrophobicContact CG-CG 4.4Å; P229-Y429 VanDerWaalsContact CG-CZ 3.44Å; P229-Y433 WeakPolarHBondContact CD-OH 3.35Å; P229-Y433 HydrophobicContact CG-CE1 4.17Å
230R98.9Very high98.9Very high0 Ų016.4 Ų16.40%08%0.081CC..BIsolated β-bridgetrans-65.9145.4172.1-167.7-171-174.4-81.713.1110.3P168 R169 L198 T223 C226 F227 A228 D233 N369 H425P168-R230 PolarHBondContact O-NH2 3.26Å; R169-R230 WeakPolarHBondContact O-CD 3.49Å; R169-R230 PolarHBondContact O-NE 2.86Å; L198-R230 HydrophobicContact CB-CB 4.27Å; L198-R230 HydrophobicContact CB-CG 4.49Å; L198-R230 WeakPolarHBondContact O-CA 3.48Å; T223-R230 PolarHBondContact O-NH1 3.44Å; C226-R230 HydrophobicContact CB-CB 4.48Å; C226-R230 HydrophobicContact CB-CG 4.4Å; C226-R230 PolarHBondContact SG-O 3.32Å; F227-R230 WeakPolarHBondContact O-CB 3.4Å; F227-R230 PolarHBondContact O-N 2.95Å; A228-R230 VanDerWaalsContact C-N 3.34Å; R230-D233 IonicContact CZ-OD1 3Å; R230-D233 IonicContact CZ-OD2 2.69Å; R230-D233 IonicContact NH1-OD1 3.41Å; R230-D233 IonicContact NH1-OD2 3.78Å; R230-D233 IonicContact NH2-OD1 3.68Å; R230-D233 PolarHBondContact NH2-OD1 2.99Å; R230-D233 VanDerWaalsContact NH2-OD1 3.12Å; R230-D233 IonicContact NH2-OD2 3.17Å; R230-D233 PolarHBondContact NH2-OD2 3.31Å; R230-N369 PolarHBondContact O-ND2 2.83Å; R230-H425 HydrophobicContact CB-CB 4.2Å; R230-H425 VanDerWaalsContact CB-CD2 3.47Å; R230-H425 WeakPolarHBondContact CB-CD2 3.2Å
231V98.9Very high98.9Very high0 Ų017.6 Ų17.60%09%0.086CC..  trans-117.7167.9177.5-56.80000110.7E197 L198 R199 C226 D233 H368 N369E197-V231 HydrophobicContact CB-CG1 4.03Å; E197-V231 VanDerWaalsContact CD-CG1 3.48Å; E197-V231 HydrophobicContact CG-CG1 3.76Å; E197-V231 WeakPolarHBondContact OE1-CG1 3.44Å; L198-V231 PolarHBondContact O-N 3.07Å; R199-V231 HydrophobicContact CB-CG2 4.42Å; R199-V231 HydrophobicContact CG-CG2 3.68Å; C226-V231 VanDerWaalsContact SG-CA 3.55Å; C226-V231 PolarHBondContact SG-O 3.4Å; V231-D233 PolarHBondContact O-N 3.17Å; V231-H368 HydrophobicContact CB-CB 3.86Å; V231-H368 HydrophobicContact CG1-CB 3.88Å; V231-H368 HydrophobicContact CG2-CB 4.19Å; V231-N369 HydrophobicContact CG1-CB 4.17Å
232P98.9Very high98.9Very high15 Ų1517.6 Ų17.610%0.0979%0.086CC..  trans-50.2137.1171.3-27.135.5000111.8T224 L265 H368T224-P232 WeakPolarHBondContact O-CA 3.32Å; T224-P232 WeakPolarHBondContact O-CB 3.4Å; T224-P232 VanDerWaalsContact O-CG 3.31Å; T224-P232 WeakPolarHBondContact O-CG 3.42Å; P232-L265 HydrophobicContact CB-CD2 3.69Å; P232-H368 WeakPolarHBondContact CD-O 3.44Å
233D98.9Very high98.9Very high1 Ų119.9 Ų19.91%0.00511%0.106CC..  trans-59.1153.2177-79.6-50.1000111.9P168 T200 T223 R230 V231 L235 L238 L265P168-D233 WeakPolarHBondContact CB-OD1 3.04Å; T200-D233 WeakPolarHBondContact OG1-CA 3.45Å; T200-D233 WeakPolarHBondContact OG1-CB 3.43Å; T200-D233 PolarHBondContact OG1-OD1 3.43Å; T223-D233 PolarHBondContact N-OD2 3.14Å; T223-D233 PolarHBondContact O-N 3.21Å; R230-D233 IonicContact CZ-OD1 3Å; R230-D233 IonicContact CZ-OD2 2.69Å; R230-D233 IonicContact NH1-OD1 3.41Å; R230-D233 IonicContact NH1-OD2 3.78Å; R230-D233 IonicContact NH2-OD1 3.68Å; R230-D233 PolarHBondContact NH2-OD1 2.99Å; R230-D233 VanDerWaalsContact NH2-OD1 3.12Å; R230-D233 IonicContact NH2-OD2 3.17Å; R230-D233 PolarHBondContact NH2-OD2 3.31Å; V231-D233 PolarHBondContact O-N 3.17Å; D233-L235 HydrophobicContact CB-CD2 4.09Å; D233-L235 PolarHBondContact O-N 3.05Å; D233-L238 HydrophobicContact CB-CD1 3.97Å; D233-L265 WeakPolarHBondContact O-CD2 3.49Å
234R98.9Very high98.8Very high50 Ų5027.5 Ų27.519%0.18914%0.139CC..  trans-67.473.9174.5-77-172.6176.7155.31.1111.5E194 T200 L202 E236 E237 L238E194-R234 IonicContact OE1-CZ 2.73Å; E194-R234 IonicContact OE1-NH1 3.71Å; E194-R234 PolarHBondContact OE1-NH1 3.11Å; E194-R234 IonicContact OE1-NH2 3.72Å; E194-R234 PolarHBondContact OE1-NH2 2.85Å; E194-R234 IonicContact OE2-NH2 2.74Å; E194-R234 PolarHBondContact OE2-NH2 2.9Å; T200-R234 PolarHBondContact OG1-N 3.34Å; L202-R234 HydrophobicContact CD2-CB 4.22Å; R234-E236 VanDerWaalsContact C-N 3.33Å; R234-E236 PolarHBondContact O-N 3.5Å; R234-E237 HydrophobicContact CB-CB 4.42Å; R234-E237 VanDerWaalsContact CB-OE2 3.32Å; R234-E237 WeakPolarHBondContact CB-OE2 3.45Å; R234-E237 PolarHBondContact O-N 2.97Å; R234-L238 WeakPolarHBondContact O-CB 3.43Å; R234-L238 WeakPolarHBondContact O-CG 3.43Å; R234-L238 PolarHBondContact O-N 3.4Å
235L98.9Very high98.8Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-66.5-31.2-170.4-63.9-166.6000113.5S222 T224 D233 A239 V251 L265 I266S222-L235 VanDerWaalsContact OG-CD2 3.27Å; S222-L235 WeakPolarHBondContact OG-CD2 3.06Å; T224-L235 HydrophobicContact CG2-CD1 3.56Å; T224-L235 HydrophobicContact CG2-CG 4.26Å; D233-L235 HydrophobicContact CB-CD2 4.09Å; D233-L235 PolarHBondContact O-N 3.05Å; L235-A239 WeakPolarHBondContact O-CA 3.34Å; L235-A239 WeakPolarHBondContact O-CB 3.36Å; L235-A239 PolarHBondContact O-N 2.92Å; L235-V251 HydrophobicContact CD1-CG1 4.04Å; L235-V251 HydrophobicContact CD1-CG2 4.38Å; L235-V251 HydrophobicContact CD2-CG1 4.3Å; L235-V251 HydrophobicContact CD2-CG2 4.37Å; L235-L265 HydrophobicContact CB-CD1 4.32Å; L235-L265 HydrophobicContact CB-CG 3.93Å; L235-L265 HydrophobicContact CD1-CD2 4.41Å; L235-L265 HydrophobicContact CD1-CG 4.02Å; L235-L265 HydrophobicContact CG-CD2 4.08Å; L235-L265 HydrophobicContact CG-CG 3.89Å; L235-I266 HydrophobicContact CD1-CB 4.41Å; L235-I266 HydrophobicContact CD1-CG1 3.62Å
236E98.8Very high98.8Very high68 Ų6834 Ų3432%0.31817%0.172SC..Hα-helixtrans-64.2-46.5178.7-69.4-176-124.300110.7R234 T240 Q268 V272R234-E236 VanDerWaalsContact C-N 3.33Å; R234-E236 PolarHBondContact O-N 3.5Å; E236-T240 WeakPolarHBondContact O-CB 3.45Å; E236-T240 PolarHBondContact O-N 2.94Å; E236-T240 PolarHBondContact O-OG1 3.42Å; E236-Q268 HydrophobicContact CG-CB 3.66Å; E236-Q268 WeakPolarHBondContact OE1-CB 3.31Å; E236-V272 HydrophobicContact CB-CG2 3.87Å; E236-V272 HydrophobicContact CG-CG2 4.13Å
237E98.9Very high98.8Very high80 Ų8034 Ų3437%0.37417%0.171SC..Hα-helixtrans-71.7-45-179.7-57.894.1138.500111.3L202 R234 A239 T240 M241L202-E237 HydrophobicContact CD1-CB 3.55Å; L202-E237 HydrophobicContact CD1-CG 3.79Å; L202-E237 HydrophobicContact CD2-CB 3.72Å; L202-E237 HydrophobicContact CG-CB 4.3Å; R234-E237 HydrophobicContact CB-CB 4.42Å; R234-E237 VanDerWaalsContact CB-OE2 3.32Å; R234-E237 WeakPolarHBondContact CB-OE2 3.45Å; R234-E237 PolarHBondContact O-N 2.97Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.44Å; E237-T240 PolarHBondContact O-N 3.28Å; E237-M241 WeakPolarHBondContact O-CB 3.24Å; E237-M241 PolarHBondContact O-N 3.19Å
238L98.9Very high98.8Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-61.5-42.2173.9-71.6178.6000111.6P168 T200 L202 V205 V220 D233 R234 M241 C242P168-L238 HydrophobicContact CG-CD1 4.44Å; T200-L238 HydrophobicContact CG2-CD1 3.98Å; T200-L238 HydrophobicContact CG2-CD2 4.07Å; T200-L238 HydrophobicContact CG2-CG 4.18Å; L202-L238 HydrophobicContact CD2-CD2 3.87Å; L202-L238 HydrophobicContact CD2-CG 4.08Å; V205-L238 HydrophobicContact CB-CD2 4.44Å; V205-L238 HydrophobicContact CG1-CD2 3.99Å; V205-L238 HydrophobicContact CG2-CD2 4.21Å; V220-L238 HydrophobicContact CG1-CD2 4.35Å; D233-L238 HydrophobicContact CB-CD1 3.97Å; R234-L238 WeakPolarHBondContact O-CB 3.43Å; R234-L238 WeakPolarHBondContact O-CG 3.43Å; R234-L238 PolarHBondContact O-N 3.4Å; L238-M241 PolarHBondContact O-N 3Å; L238-C242 WeakPolarHBondContact O-CB 3.39Å; L238-C242 PolarHBondContact O-N 3.09Å; L238-C242 PolarHBondContact O-SG 3.26Å
239A98.9Very high98.8Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-65.2-40.9177.900000111.6L235 E237 M241 C242 A243 G269 R274 I275L235-A239 WeakPolarHBondContact O-CA 3.34Å; L235-A239 WeakPolarHBondContact O-CB 3.36Å; L235-A239 PolarHBondContact O-N 2.92Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.44Å; A239-M241 VanDerWaalsContact C-N 3.34Å; A239-C242 PolarHBondContact O-N 3.09Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.93Å; A239-G269 WeakPolarHBondContact CB-O 3.33Å; A239-R274 WeakPolarHBondContact CA-O 3.41Å; A239-R274 VanDerWaalsContact CB-O 3.29Å; A239-R274 WeakPolarHBondContact CB-O 3.39Å; A239-R274 PolarHBondContact O-N 3.29Å; A239-I275 HydrophobicContact CB-CG1 4.24Å
240T98.9Very high98.9Very high70 Ų7031.4 Ų31.443%0.42916%0.161SC..Hα-helixtrans-61.9-43.8175.2-57.80000110.9E236 E237 A243 K244E236-T240 WeakPolarHBondContact O-CB 3.45Å; E236-T240 PolarHBondContact O-N 2.94Å; E236-T240 PolarHBondContact O-OG1 3.42Å; E237-T240 PolarHBondContact O-N 3.28Å; T240-A243 PolarHBondContact O-N 3.42Å; T240-K244 WeakPolarHBondContact O-CB 3.48Å; T240-K244 PolarHBondContact O-N 3Å
241M98.8Very high98.9Very high24 Ų2431.4 Ų31.412%0.11816%0.161CC..Hα-helixtrans-63.8-45.3176.6-174.1-177.4-64.900112.1V205 Q206 I209 E237 L238 A239 A243 K244 H245V205-M241 HydrophobicContact CB-SD 4.3Å; V205-M241 HydrophobicContact CG1-SD 3.55Å; V205-M241 VanDerWaalsContact CG1-SD 3.55Å; Q206-M241 HydrophobicContact CB-CE 3.83Å; Q206-M241 HydrophobicContact CB-SD 4.23Å; I209-M241 HydrophobicContact CD1-CG 3.78Å; I209-M241 HydrophobicContact CD1-SD 3.53Å; I209-M241 VanDerWaalsContact CD1-SD 3.53Å; E237-M241 WeakPolarHBondContact O-CB 3.24Å; E237-M241 PolarHBondContact O-N 3.19Å; L238-M241 PolarHBondContact O-N 3Å; A239-M241 VanDerWaalsContact C-N 3.34Å; M241-A243 VanDerWaalsContact C-N 3.31Å; M241-A243 PolarHBondContact O-N 3.28Å; M241-K244 PolarHBondContact O-N 2.85Å; M241-H245 PolarHBondContact O-CD2 2.81Å; M241-H245 VanDerWaalsContact O-CD2 3.24Å; M241-H245 PolarHBondContact O-N 3.09Å
242C98.9Very high98.9Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-61-39.3176.2-71.30000112.2V220 L238 A239 D246 I247 H249 R274V220-C242 VanDerWaalsContact CG2-SG 3.51Å; L238-C242 WeakPolarHBondContact O-CB 3.39Å; L238-C242 PolarHBondContact O-N 3.09Å; L238-C242 PolarHBondContact O-SG 3.26Å; A239-C242 PolarHBondContact O-N 3.09Å; C242-D246 PolarHBondContact O-N 3.04Å; C242-D246 VanDerWaalsContact O-N 3.14Å; C242-I247 VanDerWaalsContact CB-O 3.28Å; C242-I247 WeakPolarHBondContact CB-O 3.29Å; C242-I247 PolarHBondContact O-N 3.38Å; C242-H249 HydrophobicContact CB-CB 3.97Å; C242-R274 HydrophobicContact CB-CB 4.21Å
243A98.8Very high98.9Very high49 Ų4931.1 Ų31.141%0.40516%0.158SC..Hα-helixtrans-64.6-47.3173.800000111.6A239 T240 M241 H245 D246 R274A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.93Å; T240-A243 PolarHBondContact O-N 3.42Å; M241-A243 VanDerWaalsContact C-N 3.31Å; M241-A243 PolarHBondContact O-N 3.28Å; A243-H245 VanDerWaalsContact C-N 3.32Å; A243-H245 PolarHBondContact O-N 3.3Å; A243-D246 PolarHBondContact O-N 2.83Å; A243-R274 HydrophobicContact CB-CB 3.88Å
244K98.7Very high98.9Very high160 Ų16031.4 Ų31.470%0.69616%0.161SC*.Hα-helixtrans-58.5-41-179.6-179.2-175174.8-172.10112.8T240 M241T240-K244 WeakPolarHBondContact O-CB 3.48Å; T240-K244 PolarHBondContact O-N 3Å; M241-K244 PolarHBondContact O-N 2.85Å
245H98.7Very high98.9Very high40 Ų4030.5 Ų30.519%0.18516%0.157CC..THydrogen-bonded Turntrans-96.84.4-175.4-66.3-75000114.1Q206 I209 A214 M241 A243 I247Q206-H245 PolarHBondContact NE2-CE1 3.05Å; Q206-H245 PolarHBondContact NE2-NE2 2.99Å; Q206-H245 PolarHBondContact OE1-NE2 3.21Å; I209-H245 HydrophobicContact CG2-CB 4.28Å; A214-H245 HydrophobicContact CB-CB 4.44Å; M241-H245 PolarHBondContact O-CD2 2.81Å; M241-H245 VanDerWaalsContact O-CD2 3.24Å; M241-H245 PolarHBondContact O-N 3.09Å; A243-H245 VanDerWaalsContact C-N 3.32Å; A243-H245 PolarHBondContact O-N 3.3Å; H245-I247 VanDerWaalsContact C-N 3.27Å; H245-I247 HydrophobicContact CB-CD1 3.8Å; H245-I247 HydrophobicContact CB-CG1 4.02Å; H245-I247 PolarHBondContact O-N 3.19Å
246D98.6Very high98.8Very high100 Ų10030.5 Ų30.554%0.53516%0.157SC..THydrogen-bonded Turntrans50.245.5-173.3-173.440.6000113.3R159 C242 A243 R274R159-D246 PolarHBondContact NH1-O 2.94Å; R159-D246 VanDerWaalsContact NH1-O 3.1Å; C242-D246 PolarHBondContact O-N 3.04Å; C242-D246 VanDerWaalsContact O-N 3.14Å; A243-D246 PolarHBondContact O-N 2.83Å; D246-R274 IonicContact OD1-CZ 3.74Å; D246-R274 IonicContact OD1-NH1 3.82Å; D246-R274 PolarHBondContact OD1-NH1 2.97Å
247I98.9Very high98.9Very high0 Ų027.2 Ų27.20%014%0.142CC..  trans-107129.3176.8-64.7170.3000108.5I209 A214 I217 V220 C242 H245 R274I209-I247 HydrophobicContact CB-CD1 4.48Å; I209-I247 HydrophobicContact CD1-CD1 4.02Å; I209-I247 HydrophobicContact CG1-CD1 3.94Å; I209-I247 HydrophobicContact CG2-CD1 3.76Å; A214-I247 HydrophobicContact CB-CD1 3.88Å; A214-I247 HydrophobicContact CB-CG1 3.98Å; I217-I247 HydrophobicContact CB-CD1 4.3Å; I217-I247 HydrophobicContact CB-CG2 4.49Å; I217-I247 HydrophobicContact CD1-CD1 3.98Å; I217-I247 HydrophobicContact CG2-CD1 4.32Å; I217-I247 HydrophobicContact CG2-CG2 3.71Å; V220-I247 HydrophobicContact CG2-CG2 4.21Å; C242-I247 VanDerWaalsContact CB-O 3.28Å; C242-I247 WeakPolarHBondContact CB-O 3.29Å; C242-I247 PolarHBondContact O-N 3.38Å; H245-I247 VanDerWaalsContact C-N 3.27Å; H245-I247 HydrophobicContact CB-CD1 3.8Å; H245-I247 HydrophobicContact CB-CG1 4.02Å; H245-I247 PolarHBondContact O-N 3.19Å; I247-R274 WeakPolarHBondContact O-CD 3.38Å
248P98.9Very high98.8Very high3 Ų323.5 Ų23.52%0.01913%0.125CC..  trans-59.1148.1173.7-24.132.7000113L155 L218 C219 V220 D276L155-P248 HydrophobicContact CD1-CB 3.88Å; L155-P248 HydrophobicContact CD1-CG 4.43Å; L155-P248 HydrophobicContact CD2-CB 3.81Å; L155-P248 HydrophobicContact CD2-CG 3.81Å; L218-P248 WeakPolarHBondContact O-CD 3.48Å; L218-P248 WeakPolarHBondContact O-CG 3.48Å; C219-P248 CarbonylContact C-O 3.48Å; C219-P248 WeakPolarHBondContact CA-O 3.41Å; C219-P248 HydrophobicContact CB-CB 4.02Å; C219-P248 WeakPolarHBondContact CB-O 3.39Å; V220-P248 PolarHBondContact N-O 3.04Å; P248-D276 WeakPolarHBondContact CA-OD2 3.16Å
249H98.9Very high98.8Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-124.2115.7179.4-175.3-169.6000110.6V220 S222 C242 R274 D276 A277V220-H249 PolarHBondContact O-CD2 2.92Å; S222-H249 WeakPolarHBondContact CB-NE2 3.37Å; S222-H249 PolarHBondContact OG-NE2 2.87Å; C242-H249 HydrophobicContact CB-CB 3.97Å; H249-R274 VanDerWaalsContact CB-O 3.29Å; H249-R274 WeakPolarHBondContact CB-O 3.36Å; H249-R274 PolarHBondContact ND1-O 2.94Å; H249-D276 PolarHBondContact N-OD2 3.18Å; H249-D276 PolarHBondContact O-N 3.42Å; H249-A277 PolarHBondContact O-N 2.91Å
250I98.9Very high98.8Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-110.7119.4179-56.4-61.8000109.1L148 C151 F152 L155 C219 V220 H221 S222 D276 A277 F302L148-I250 HydrophobicContact CD2-CG2 3.76Å; C151-I250 HydrophobicContact CB-CD1 4.24Å; C151-I250 HydrophobicContact CB-CG2 4.39Å; F152-I250 HydrophobicContact CD1-CG1 4.49Å; F152-I250 HydrophobicContact CE1-CB 4.09Å; F152-I250 HydrophobicContact CE1-CG1 4.15Å; F152-I250 HydrophobicContact CE1-CG2 3.96Å; L155-I250 HydrophobicContact CD1-CD1 4Å; L155-I250 HydrophobicContact CD1-CG1 3.83Å; C219-I250 HydrophobicContact CB-CG1 4.08Å; V220-I250 PolarHBondContact O-N 3.35Å; H221-I250 VanDerWaalsContact CA-O 3.31Å; H221-I250 WeakPolarHBondContact CA-O 3.48Å; S222-I250 PolarHBondContact N-O 2.67Å; S222-I250 VanDerWaalsContact N-O 3.12Å; I250-D276 HydrophobicContact CD1-CB 4.38Å; I250-A277 WeakPolarHBondContact CA-O 3.24Å; I250-A277 HydrophobicContact CD1-CB 3.84Å; I250-F302 HydrophobicContact CD1-CE1 4.4Å
251V99Very high98.8Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-100.7118-177.7-173.90000110.6T224 L235 N253 I266 I275 A277 F278 V279T224-V251 HydrophobicContact CG2-CG1 3.85Å; L235-V251 HydrophobicContact CD1-CG1 4.04Å; L235-V251 HydrophobicContact CD1-CG2 4.38Å; L235-V251 HydrophobicContact CD2-CG1 4.3Å; L235-V251 HydrophobicContact CD2-CG2 4.37Å; V251-N253 HydrophobicContact CG1-CB 4.45Å; V251-N253 PolarHBondContact O-N 2.98Å; V251-N253 VanDerWaalsContact O-N 3.15Å; V251-I266 HydrophobicContact CG1-CD1 4.42Å; V251-I266 HydrophobicContact CG1-CG1 4.34Å; V251-I275 HydrophobicContact CG2-CD1 4.19Å; V251-I275 HydrophobicContact CG2-CG1 4.33Å; V251-I275 HydrophobicContact CG2-CG2 3.86Å; V251-A277 PolarHBondContact N-O 3.49Å; V251-F278 HydrophobicContact CB-CB 3.86Å; V251-F278 CarbonylContact O-C 3.59Å; V251-F278 VanDerWaalsContact O-CA 3.25Å; V251-F278 WeakPolarHBondContact O-CA 3.09Å; V251-V279 PolarHBondContact O-N 2.99Å
252N98.9Very high98.8Very high9 Ų927.7 Ų27.75%0.04814%0.143CC..EExtended strand (participates in β ladder)trans-75.298.2166.2174.120.5000110L148 S222 T223 T224 A254L148-N252 HydrophobicContact CD1-CB 4.18Å; L148-N252 HydrophobicContact CD2-CB 4.38Å; S222-N252 WeakPolarHBondContact O-CB 3.4Å; S222-N252 PolarHBondContact O-N 2.98Å; T223-N252 WeakPolarHBondContact CA-O 3.45Å; T223-N252 HydrophobicContact CG2-CB 4.32Å; T223-N252 PolarHBondContact OG1-ND2 2.99Å; T224-N252 PolarHBondContact N-O 3.07Å; T224-N252 VanDerWaalsContact N-O 3.11Å; N252-A254 WeakPolarHBondContact OD1-CB 3.32Å; N252-A254 PolarHBondContact OD1-N 2.79Å
253N98.9Very high98.8Very high0 Ų027.7 Ų27.70%014%0.143CC..  trans-107.737.1178.9-172.846.8000111.5T224 V251 Y255 G256 M263 I266 V279 Q280T224-N253 WeakPolarHBondContact OG1-CA 3.31Å; T224-N253 PolarHBondContact OG1-OD1 3.48Å; V251-N253 HydrophobicContact CG1-CB 4.45Å; V251-N253 PolarHBondContact O-N 2.98Å; V251-N253 VanDerWaalsContact O-N 3.15Å; N253-Y255 VanDerWaalsContact C-N 3.25Å; N253-Y255 PolarHBondContact O-N 3.06Å; N253-G256 PolarHBondContact O-N 3.47Å; N253-G256 VanDerWaalsContact O-N 3.14Å; N253-G256 WeakPolarHBondContact OD1-CA 3.46Å; N253-M263 PolarHBondContact ND2-SD 3.17Å; N253-M263 VanDerWaalsContact ND2-SD 3.44Å; N253-I266 HydrophobicContact CB-CD1 3.82Å; N253-I266 WeakPolarHBondContact ND2-CD1 3.31Å; N253-V279 CarbonylContact C-O 3.18Å; N253-V279 VanDerWaalsContact CA-O 3.29Å; N253-V279 WeakPolarHBondContact CA-O 3.44Å; N253-V279 PolarHBondContact N-O 3.43Å; N253-Q280 HydrophobicContact CB-CG 3.94Å; N253-Q280 VanDerWaalsContact ND2-CG 3.32Å; N253-Q280 WeakPolarHBondContact ND2-CG 3.43Å; N253-Q280 WeakPolarHBondContact O-CG 3.39Å
254A98.8Very high98.8Very high7 Ų730.2 Ų30.26%0.05815%0.146CC..THydrogen-bonded Turntrans-41.3-46.7-168.900000114.7T144 S225 N252 V279 S281 N285T144-A254 HydrophobicContact CG2-CB 4.06Å; S225-A254 PolarHBondContact OG-N 2.88Å; N252-A254 WeakPolarHBondContact OD1-CB 3.32Å; N252-A254 PolarHBondContact OD1-N 2.79Å; A254-V279 PolarHBondContact N-O 2.92Å; A254-S281 WeakPolarHBondContact O-CB 3.31Å; A254-S281 PolarHBondContact O-N 2.87Å; A254-N285 PolarHBondContact O-ND2 3.39Å
255Y98.8Very high98.8Very high30 Ų3024.3 Ų24.312%0.11812%0.122CC..THydrogen-bonded Turntrans-133.833.8-179.354.7-83.7000112.1S225 C226 F227 N253 Q258 K284 N285 I371S225-Y255 VanDerWaalsContact C-CZ 3.4Å; S225-Y255 VanDerWaalsContact CB-CD2 3.44Å; S225-Y255 VanDerWaalsContact O-CE1 3.28Å; S225-Y255 WeakPolarHBondContact O-CE1 3.49Å; S225-Y255 VanDerWaalsContact O-CZ 3.25Å; S225-Y255 PolarHBondContact O-OH 3.25Å; S225-Y255 VanDerWaalsContact OG-CD1 3.3Å; S225-Y255 WeakPolarHBondContact OG-CD1 3.49Å; S225-Y255 PolarHBondContact OG-N 3.12Å; C226-Y255 WeakPolarHBondContact CA-OH 3.3Å; C226-Y255 PolarHBondContact N-OH 3.33Å; C226-Y255 PolarHBondContact O-OH 2.82Å; F227-Y255 PolarHBondContact N-OH 3.29Å; N253-Y255 VanDerWaalsContact C-N 3.25Å; N253-Y255 PolarHBondContact O-N 3.06Å; Y255-Q258 VanDerWaalsContact O-CG 3.23Å; Y255-Q258 WeakPolarHBondContact O-CG 3.32Å; Y255-Q258 PolarHBondContact O-NE2 3.15Å; Y255-K284 HydrophobicContact CD1-CD 3.94Å; Y255-K284 HydrophobicContact CG-CD 4.24Å; Y255-N285 VanDerWaalsContact C-OD1 3.26Å; Y255-N285 WeakPolarHBondContact CA-OD1 3.34Å; Y255-I371 HydrophobicContact CD2-CD1 3.97Å; Y255-I371 HydrophobicContact CD2-CG2 4.34Å; Y255-I371 HydrophobicContact CE2-CD1 4.36Å; Y255-I371 HydrophobicContact CE2-CG2 4.3Å; Y255-I371 VanDerWaalsContact O-CD1 3.32Å; Y255-I371 WeakPolarHBondContact O-CD1 3.26Å
256G98.8Very high98.8Very high0 Ų022.4 Ų22.40%011%0.113CC..THydrogen-bonded Turntrans-98.7-7.9-178.200000115.5N253 Q258 S259 M263N253-G256 PolarHBondContact O-N 3.47Å; N253-G256 VanDerWaalsContact O-N 3.14Å; N253-G256 WeakPolarHBondContact OD1-CA 3.46Å; G256-Q258 PolarHBondContact O-N 3.48Å; G256-S259 PolarHBondContact O-N 3.16Å; G256-S259 VanDerWaalsContact O-O 3.11Å; G256-M263 WeakPolarHBondContact O-CG 3.33Å
257V98.9Very high98.8Very high0 Ų019.1 Ų19.10%010%0.095CC..THydrogen-bonded Turntrans-60-37.3176.2-176.80000111L126 S129 S259 M263 Q280 N285 F286L126-V257 HydrophobicContact CD2-CG1 4.17Å; L126-V257 HydrophobicContact CD2-CG2 3.96Å; S129-V257 WeakPolarHBondContact CB-O 3.4Å; S129-V257 WeakPolarHBondContact OG-CG1 3.24Å; V257-S259 PolarHBondContact O-N 3.05Å; V257-S259 VanDerWaalsContact O-N 3.14Å; V257-M263 HydrophobicContact CB-SD 4.45Å; V257-M263 HydrophobicContact CG1-CE 4.42Å; V257-M263 HydrophobicContact CG2-SD 4.33Å; V257-Q280 HydrophobicContact CG2-CB 3.75Å; V257-Q280 HydrophobicContact CG2-CG 3.54Å; V257-N285 HydrophobicContact CB-CB 3.9Å; V257-N285 WeakPolarHBondContact CB-OD1 3.39Å; V257-N285 HydrophobicContact CG2-CB 4.26Å; V257-N285 PolarHBondContact N-OD1 3.31Å; V257-N285 VanDerWaalsContact N-OD1 3.11Å; V257-F286 HydrophobicContact CG1-CZ 4.17Å
258Q98.8Very high98.8Very high2 Ų220.6 Ų20.61%0.00910%0.101CC..THydrogen-bonded Turntrans-68.4-4.9176.561.7177.4-61.900115Y255 G256 K284 N285 L338 R341 I371 V440Y255-Q258 VanDerWaalsContact O-CG 3.23Å; Y255-Q258 WeakPolarHBondContact O-CG 3.32Å; Y255-Q258 PolarHBondContact O-NE2 3.15Å; G256-Q258 PolarHBondContact O-N 3.48Å; Q258-K284 PolarHBondContact NE2-O 3.02Å; Q258-N285 PolarHBondContact N-OD1 2.96Å; Q258-L338 HydrophobicContact CB-CD2 4.07Å; Q258-R341 PolarHBondContact O-NE 3.18Å; Q258-I371 HydrophobicContact CG-CD1 4.18Å; Q258-V440 HydrophobicContact CB-CB 4.09Å; Q258-V440 HydrophobicContact CB-CG1 4.41Å
259S98.8Very high98.8Very high1 Ų120.4 Ų20.41%0.00710%0.1CC..  trans-119.5110.8-179.6171.60000110.6G256 V257 K261 C262 M263 P370G256-S259 PolarHBondContact O-N 3.16Å; G256-S259 VanDerWaalsContact O-O 3.11Å; V257-S259 PolarHBondContact O-N 3.05Å; V257-S259 VanDerWaalsContact O-N 3.14Å; S259-K261 PolarHBondContact O-N 3.41Å; S259-K261 PolarHBondContact OG-N 3.17Å; S259-C262 PolarHBondContact O-N 3.34Å; S259-C262 PolarHBondContact OG-N 3.15Å; S259-C262 PolarHBondContact OG-SG 3.3Å; S259-M263 WeakPolarHBondContact O-CG 3.19Å; S259-M263 PolarHBondContact O-N 3.41Å; S259-P370 WeakPolarHBondContact OG-CB 3.43Å; S259-P370 WeakPolarHBondContact OG-CG 3.42Å
260S98.4Very high98.8Very high51 Ų5121.6 Ų21.636%0.35711%0.11SC..Hα-helixtrans-59.6-27.6173.962.70000112.6H264 K342S260-H264 WeakPolarHBondContact O-CB 3.33Å; S260-H264 PolarHBondContact O-N 3.12Å; S260-K342 WeakPolarHBondContact OG-CE 3.45Å; S260-K342 PolarHBondContact OG-NZ 2.66Å
261K98.7Very high98.8Very high128 Ų12829.5 Ų29.556%0.55714%0.14SC*.Hα-helixtrans-66.5-46.4173.7-69.5-160.8-170.3176.70111.1S259 H264 L265 P367 P370S259-K261 PolarHBondContact O-N 3.41Å; S259-K261 PolarHBondContact OG-N 3.17Å; K261-H264 PolarHBondContact O-N 3.38Å; K261-L265 WeakPolarHBondContact O-CB 3.34Å; K261-L265 PolarHBondContact O-N 2.85Å; K261-P367 PolarHBondContact NZ-O 2.98Å; K261-P370 HydrophobicContact CB-CB 4.18Å; K261-P370 HydrophobicContact CB-CG 4.14Å; K261-P370 HydrophobicContact CD-CB 4.1Å; K261-P370 HydrophobicContact CG-CB 4.34Å
262C98.9Very high98.8Very high1 Ų132.1 Ų32.11%0.00716%0.156CC..Hα-helixtrans-65.4-43.8178.8-63.10000111.6S259 L265 I266S259-C262 PolarHBondContact O-N 3.34Å; S259-C262 PolarHBondContact OG-N 3.15Å; S259-C262 PolarHBondContact OG-SG 3.3Å; C262-L265 WeakPolarHBondContact O-CB 3.41Å; C262-L265 PolarHBondContact O-N 3.05Å; C262-I266 PolarHBondContact O-N 3.44Å; C262-I266 VanDerWaalsContact O-N 3.11Å
263M98.9Very high98.8Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-67-39.9178.6-66.7-61.4-81.400111.9L126 S129 V131 N253 G256 V257 S259 L265 I266 Q267L126-M263 HydrophobicContact CB-CE 4.35Å; L126-M263 HydrophobicContact CD2-CE 3.87Å; L126-M263 WeakPolarHBondContact O-CE 3.39Å; S129-M263 WeakPolarHBondContact O-CB 3.49Å; V131-M263 HydrophobicContact CB-CE 4.1Å; V131-M263 HydrophobicContact CG2-CB 4.08Å; V131-M263 HydrophobicContact CG2-CE 3.5Å; V131-M263 WeakPolarHBondContact CG2-O 3.27Å; V131-M263 HydrophobicContact CG2-SD 3.97Å; N253-M263 PolarHBondContact ND2-SD 3.17Å; N253-M263 VanDerWaalsContact ND2-SD 3.44Å; G256-M263 WeakPolarHBondContact O-CG 3.33Å; V257-M263 HydrophobicContact CB-SD 4.45Å; V257-M263 HydrophobicContact CG1-CE 4.42Å; V257-M263 HydrophobicContact CG2-SD 4.33Å; S259-M263 WeakPolarHBondContact O-CG 3.19Å; S259-M263 PolarHBondContact O-N 3.41Å; M263-L265 VanDerWaalsContact C-N 3.33Å; M263-L265 PolarHBondContact O-N 3.23Å; M263-I266 PolarHBondContact O-N 3.17Å; M263-I266 HydrophobicContact SD-CD1 4.44Å; M263-Q267 PolarHBondContact O-N 2.84Å
264H98.8Very high98.8Very high102 Ų10235.3 Ų35.347%0.47217%0.174SC..Hα-helixtrans-64.2-38.8173.6-170.378000111.9S260 K261 I266 Q267 Q268S260-H264 WeakPolarHBondContact O-CB 3.33Å; S260-H264 PolarHBondContact O-N 3.12Å; K261-H264 PolarHBondContact O-N 3.38Å; H264-I266 VanDerWaalsContact C-N 3.32Å; H264-I266 PolarHBondContact O-N 3.04Å; H264-Q267 CarbonylContact O-C 3.12Å; H264-Q267 WeakPolarHBondContact O-CA 3.38Å; H264-Q267 WeakPolarHBondContact O-CB 3.5Å; H264-Q267 PolarHBondContact O-N 3.49Å; H264-Q267 VanDerWaalsContact O-N 3.13Å; H264-Q268 PolarHBondContact CE1-NE2 2.73Å; H264-Q268 PolarHBondContact NE2-NE2 3.18Å; H264-Q268 WeakPolarHBondContact O-CG 3.48Å; H264-Q268 PolarHBondContact O-N 2.66Å
265L98.8Very high98.8Very high36 Ų3635.5 Ų35.519%0.18817%0.174CC..Hα-helixtrans-62.5-38.9177.3-17260.7000112.2P232 D233 L235 K261 C262 M263 Q268 G269P232-L265 HydrophobicContact CB-CD2 3.69Å; D233-L265 WeakPolarHBondContact O-CD2 3.49Å; L235-L265 HydrophobicContact CB-CD1 4.32Å; L235-L265 HydrophobicContact CB-CG 3.93Å; L235-L265 HydrophobicContact CD1-CD2 4.41Å; L235-L265 HydrophobicContact CD1-CG 4.02Å; L235-L265 HydrophobicContact CG-CD2 4.08Å; L235-L265 HydrophobicContact CG-CG 3.89Å; K261-L265 WeakPolarHBondContact O-CB 3.34Å; K261-L265 PolarHBondContact O-N 2.85Å; C262-L265 WeakPolarHBondContact O-CB 3.41Å; C262-L265 PolarHBondContact O-N 3.05Å; M263-L265 VanDerWaalsContact C-N 3.33Å; M263-L265 PolarHBondContact O-N 3.23Å; L265-Q268 PolarHBondContact O-N 3.12Å; L265-G269 PolarHBondContact O-N 2.98Å
266I98.9Very high98.8Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-63.9-44.9171.6-68.9166.4000110.7V131 T224 L235 V251 N253 C262 M263 H264 Q268 G269 A270 I275 F278 F298V131-I266 HydrophobicContact CG1-CG2 4.24Å; V131-I266 HydrophobicContact CG2-CB 3.99Å; V131-I266 HydrophobicContact CG2-CG2 3.82Å; T224-I266 HydrophobicContact CG2-CD1 4.21Å; T224-I266 HydrophobicContact CG2-CG1 4.08Å; L235-I266 HydrophobicContact CD1-CB 4.41Å; L235-I266 HydrophobicContact CD1-CG1 3.62Å; V251-I266 HydrophobicContact CG1-CD1 4.42Å; V251-I266 HydrophobicContact CG1-CG1 4.34Å; N253-I266 HydrophobicContact CB-CD1 3.82Å; N253-I266 WeakPolarHBondContact ND2-CD1 3.31Å; C262-I266 PolarHBondContact O-N 3.44Å; C262-I266 VanDerWaalsContact O-N 3.11Å; M263-I266 PolarHBondContact O-N 3.17Å; M263-I266 HydrophobicContact SD-CD1 4.44Å; H264-I266 VanDerWaalsContact C-N 3.32Å; H264-I266 PolarHBondContact O-N 3.04Å; I266-Q268 VanDerWaalsContact C-N 3.32Å; I266-Q268 PolarHBondContact O-N 3.1Å; I266-G269 PolarHBondContact O-N 3.15Å; I266-A270 WeakPolarHBondContact O-CB 3.43Å; I266-A270 PolarHBondContact O-N 2.87Å; I266-I275 HydrophobicContact CG2-CD1 4.28Å; I266-I275 WeakPolarHBondContact O-CD1 3.37Å; I266-F278 HydrophobicContact CD1-CB 4.4Å; I266-F278 HydrophobicContact CD1-CD2 4.2Å; I266-F278 HydrophobicContact CD1-CG 4.45Å; I266-F278 HydrophobicContact CG2-CD1 4.05Å; I266-F278 HydrophobicContact CG2-CD2 4.4Å; I266-F278 HydrophobicContact CG2-CE1 4.27Å; I266-F278 HydrophobicContact CG2-CG 4.13Å; I266-F298 HydrophobicContact CG2-CE2 4.28Å; I266-F298 HydrophobicContact CG2-CZ 3.91Å
267Q98.9Very high98.8Very high32 Ų3234.9 Ų34.915%0.1517%0.173CC..Hα-helixtrans-60.4-39.7176.4177.158.479.100112.3S133 M263 H264 R271S133-Q267 PolarHBondContact OG-NE2 2.96Å; S133-Q267 PolarHBondContact OG-OE1 2.85Å; M263-Q267 PolarHBondContact O-N 2.84Å; H264-Q267 CarbonylContact O-C 3.12Å; H264-Q267 WeakPolarHBondContact O-CA 3.38Å; H264-Q267 WeakPolarHBondContact O-CB 3.5Å; H264-Q267 PolarHBondContact O-N 3.49Å; H264-Q267 VanDerWaalsContact O-N 3.13Å; Q267-R271 WeakPolarHBondContact O-CB 3.17Å; Q267-R271 PolarHBondContact O-N 3.11Å
268Q98.8Very high98.8Very high30 Ų3034.9 Ų34.914%0.1417%0.173CC..Hα-helixtrans-70.1-46.1176.8-66.8-50.6-38.900111.6E236 H264 L265 I266 A270 R271 V272E236-Q268 HydrophobicContact CG-CB 3.66Å; E236-Q268 WeakPolarHBondContact OE1-CB 3.31Å; H264-Q268 PolarHBondContact CE1-NE2 2.73Å; H264-Q268 PolarHBondContact NE2-NE2 3.18Å; H264-Q268 WeakPolarHBondContact O-CG 3.48Å; H264-Q268 PolarHBondContact O-N 2.66Å; L265-Q268 PolarHBondContact O-N 3.12Å; I266-Q268 VanDerWaalsContact C-N 3.32Å; I266-Q268 PolarHBondContact O-N 3.1Å; Q268-A270 VanDerWaalsContact C-N 3.29Å; Q268-A270 PolarHBondContact O-N 2.72Å; Q268-R271 WeakPolarHBondContact O-CA 3.47Å; Q268-R271 WeakPolarHBondContact O-CB 3.38Å; Q268-R271 PolarHBondContact O-N 2.79Å; Q268-V272 WeakPolarHBondContact O-CG2 3.21Å; Q268-V272 PolarHBondContact O-N 3.35Å
269G98.8Very high98.8Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-56.2-43.1176.900000112.7A239 L265 I266 R271 V272 G273A239-G269 WeakPolarHBondContact CB-O 3.33Å; L265-G269 PolarHBondContact O-N 2.98Å; I266-G269 PolarHBondContact O-N 3.15Å; G269-R271 VanDerWaalsContact C-N 3.3Å; G269-R271 PolarHBondContact O-N 3.31Å; G269-V272 PolarHBondContact O-N 3.12Å; G269-G273 CarbonylContact O-C 3.24Å; G269-G273 PolarHBondContact O-N 2.94Å
270A98.6Very high98.8Very high25 Ų2534.7 Ų34.721%0.20717%0.172CC..Hα-helixtrans-69.3-24.3175.100000114.1I266 Q268 I275 F298I266-A270 WeakPolarHBondContact O-CB 3.43Å; I266-A270 PolarHBondContact O-N 2.87Å; Q268-A270 VanDerWaalsContact C-N 3.29Å; Q268-A270 PolarHBondContact O-N 2.72Å; A270-I275 HydrophobicContact CB-CB 4.49Å; A270-I275 HydrophobicContact CB-CD1 4.33Å; A270-F298 HydrophobicContact CB-CD1 3.93Å; A270-F298 HydrophobicContact CB-CD2 3.75Å; A270-F298 HydrophobicContact CB-CE1 3.57Å; A270-F298 HydrophobicContact CB-CE2 3.38Å; A270-F298 HydrophobicContact CB-CG 4.02Å; A270-F298 HydrophobicContact CB-CZ 3.27Å
271R98.6Very high98.8Very high165 Ų16532.3 Ų32.362%0.62316%0.156SC*.Hα-helixtrans-76.8-39.1177.1-177.8-179.166.584.62.3111.9Q267 Q268 G269Q267-R271 WeakPolarHBondContact O-CB 3.17Å; Q267-R271 PolarHBondContact O-N 3.11Å; Q268-R271 WeakPolarHBondContact O-CA 3.47Å; Q268-R271 WeakPolarHBondContact O-CB 3.38Å; Q268-R271 PolarHBondContact O-N 2.79Å; G269-R271 VanDerWaalsContact C-N 3.3Å; G269-R271 PolarHBondContact O-N 3.31Å
272V98.8Very high98.8Very high55 Ų5526.2 Ų26.233%0.33313%0.129SC..Hα-helixtrans-99.3-15.2-172.2-55.10000113.6E236 Q268 G269E236-V272 HydrophobicContact CB-CG2 3.87Å; E236-V272 HydrophobicContact CG-CG2 4.13Å; Q268-V272 WeakPolarHBondContact O-CG2 3.21Å; Q268-V272 PolarHBondContact O-N 3.35Å; G269-V272 PolarHBondContact O-N 3.12Å
273G98.7Very high98.8Very high23 Ų2327.8 Ų27.824%0.23714%0.137CC..SBendtrans-158.1-141.9-178.400000112.7G269G269-G273 CarbonylContact O-C 3.24Å; G269-G273 PolarHBondContact O-N 2.94Å
274R98.8Very high98.8Very high53 Ų5331.3 Ų31.320%0.215%0.153CC..  trans-110.3127-173.9-179175.8-179.1162.36.6112.7A239 C242 A243 D246 I247 H249 D276A239-R274 WeakPolarHBondContact CA-O 3.41Å; A239-R274 VanDerWaalsContact CB-O 3.29Å; A239-R274 WeakPolarHBondContact CB-O 3.39Å; A239-R274 PolarHBondContact O-N 3.29Å; C242-R274 HydrophobicContact CB-CB 4.21Å; A243-R274 HydrophobicContact CB-CB 3.88Å; D246-R274 IonicContact OD1-CZ 3.74Å; D246-R274 IonicContact OD1-NH1 3.82Å; D246-R274 PolarHBondContact OD1-NH1 2.97Å; I247-R274 WeakPolarHBondContact O-CD 3.38Å; H249-R274 VanDerWaalsContact CB-O 3.29Å; H249-R274 WeakPolarHBondContact CB-O 3.36Å; H249-R274 PolarHBondContact ND1-O 2.94Å; R274-D276 WeakPolarHBondContact CG-OD2 3.29Å; R274-D276 IonicContact CZ-OD1 3.95Å; R274-D276 IonicContact CZ-OD2 2.87Å; R274-D276 IonicContact NE-OD1 2.89Å; R274-D276 PolarHBondContact NE-OD1 3.21Å; R274-D276 VanDerWaalsContact NE-OD1 3.1Å; R274-D276 IonicContact NE-OD2 3.19Å; R274-D276 PolarHBondContact NE-OD2 2.66Å; R274-D276 IonicContact NH2-OD1 3.41Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 3.78Å
275I98.9Very high98.8Very high11 Ų1126.5 Ų26.56%0.05613%0.13CC..  trans-134.3118.1162.3-64.3177.9000107A239 V251 I266 A270 F278 F298A239-I275 HydrophobicContact CB-CG1 4.24Å; V251-I275 HydrophobicContact CG2-CD1 4.19Å; V251-I275 HydrophobicContact CG2-CG1 4.33Å; V251-I275 HydrophobicContact CG2-CG2 3.86Å; I266-I275 HydrophobicContact CG2-CD1 4.28Å; I266-I275 WeakPolarHBondContact O-CD1 3.37Å; A270-I275 HydrophobicContact CB-CB 4.49Å; A270-I275 HydrophobicContact CB-CD1 4.33Å; I275-F278 HydrophobicContact CG2-CD1 4.49Å; I275-F298 HydrophobicContact CB-CD2 4.14Å; I275-F298 HydrophobicContact CB-CE2 3.87Å; I275-F298 HydrophobicContact CG2-CD2 4.21Å; I275-F298 HydrophobicContact CG2-CE2 3.77Å; I275-F298 WeakPolarHBondContact O-CD2 3.32Å
276D98.9Very high98.8Very high17 Ų1725 Ų259%0.09112%0.122CC..  trans-87.9-42-177.2-60-112000110.8P248 H249 I250 R274 F302P248-D276 WeakPolarHBondContact CA-OD2 3.16Å; H249-D276 PolarHBondContact N-OD2 3.18Å; H249-D276 PolarHBondContact O-N 3.42Å; I250-D276 HydrophobicContact CD1-CB 4.38Å; R274-D276 WeakPolarHBondContact CG-OD2 3.29Å; R274-D276 IonicContact CZ-OD1 3.95Å; R274-D276 IonicContact CZ-OD2 2.87Å; R274-D276 IonicContact NE-OD1 2.89Å; R274-D276 PolarHBondContact NE-OD1 3.21Å; R274-D276 VanDerWaalsContact NE-OD1 3.1Å; R274-D276 IonicContact NE-OD2 3.19Å; R274-D276 PolarHBondContact NE-OD2 2.66Å; R274-D276 IonicContact NH2-OD1 3.41Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 3.78Å; D276-F302 HydrophobicContact CB-CD1 3.89Å; D276-F302 HydrophobicContact CB-CE1 3.56Å; D276-F302 HydrophobicContact CB-CZ 4.41Å; D276-F302 WeakPolarHBondContact O-CD1 3.42Å
277A98.9Very high98.8Very high0 Ų029.6 Ų29.60%015%0.145CC..EExtended strand (participates in β ladder)trans-150.7155.2172.700000112.6H249 I250 V251 I295 A296 F302 I306H249-A277 PolarHBondContact O-N 2.91Å; I250-A277 WeakPolarHBondContact CA-O 3.24Å; I250-A277 HydrophobicContact CD1-CB 3.84Å; V251-A277 PolarHBondContact N-O 3.49Å; A277-I295 HydrophobicContact CB-CG2 4.46Å; A277-A296 CarbonylContact C-O 3.56Å; A277-A296 VanDerWaalsContact CA-O 3.24Å; A277-A296 WeakPolarHBondContact CA-O 3.23Å; A277-F302 HydrophobicContact CB-CE1 4.17Å; A277-I306 HydrophobicContact CB-CD1 4.17Å
278F98.9Very high98.8Very high0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-133.1137.8170.258.6-80.5000110.2L126 V131 V134 V251 I266 I275 Q280 A296 F298L126-F278 HydrophobicContact CD1-CE2 4.36Å; V131-F278 HydrophobicContact CB-CZ 4.38Å; V131-F278 HydrophobicContact CG1-CE1 4.35Å; V131-F278 HydrophobicContact CG1-CZ 3.93Å; V131-F278 HydrophobicContact CG2-CE2 4.45Å; V131-F278 HydrophobicContact CG2-CZ 4.46Å; V134-F278 HydrophobicContact CB-CZ 4.19Å; V134-F278 HydrophobicContact CG2-CE1 4.16Å; V134-F278 HydrophobicContact CG2-CZ 3.73Å; V251-F278 HydrophobicContact CB-CB 3.86Å; V251-F278 CarbonylContact O-C 3.59Å; V251-F278 VanDerWaalsContact O-CA 3.25Å; V251-F278 WeakPolarHBondContact O-CA 3.09Å; I266-F278 HydrophobicContact CD1-CB 4.4Å; I266-F278 HydrophobicContact CD1-CD2 4.2Å; I266-F278 HydrophobicContact CD1-CG 4.45Å; I266-F278 HydrophobicContact CG2-CD1 4.05Å; I266-F278 HydrophobicContact CG2-CD2 4.4Å; I266-F278 HydrophobicContact CG2-CE1 4.27Å; I266-F278 HydrophobicContact CG2-CG 4.13Å; I275-F278 HydrophobicContact CG2-CD1 4.49Å; F278-Q280 PolarHBondContact O-OE1 2.84Å; F278-A296 HydrophobicContact CD1-CB 4.29Å; F278-A296 WeakPolarHBondContact CD1-O 3.46Å; F278-A296 HydrophobicContact CD2-CB 4.11Å; F278-A296 HydrophobicContact CE1-CB 3.8Å; F278-A296 HydrophobicContact CE2-CB 3.61Å; F278-A296 HydrophobicContact CG-CB 4.43Å; F278-A296 HydrophobicContact CZ-CB 3.43Å; F278-A296 VanDerWaalsContact CZ-CB 3.43Å; F278-A296 PolarHBondContact N-O 3.23Å; F278-A296 PolarHBondContact O-N 3.14Å; F278-F298 AromaticContact CD1-CE2 3.94Å; F278-F298 HydrophobicContact CD1-CE2 3.94Å; F278-F298 HydrophobicContact CD1-CZ 4.35Å; F278-F298 HydrophobicContact CE1-CD2 4.47Å; F278-F298 AromaticContact CE1-CE2 3.75Å; F278-F298 HydrophobicContact CE1-CE2 3.75Å; F278-F298 AromaticContact CE1-CZ 3.81Å; F278-F298 HydrophobicContact CE1-CZ 3.81Å
279V98.9Very high98.8Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-122.2130.4-168.3-170.30000111.2T144 L148 V251 N253 A254 A293 I294 I295T144-V279 HydrophobicContact CG2-CB 4.37Å; T144-V279 HydrophobicContact CG2-CG1 3.87Å; L148-V279 HydrophobicContact CD2-CB 4Å; L148-V279 HydrophobicContact CD2-CG2 3.76Å; L148-V279 HydrophobicContact CG-CB 4.31Å; L148-V279 HydrophobicContact CG-CG1 4.49Å; L148-V279 HydrophobicContact CG-CG2 4.34Å; V251-V279 PolarHBondContact O-N 2.99Å; N253-V279 CarbonylContact C-O 3.18Å; N253-V279 VanDerWaalsContact CA-O 3.29Å; N253-V279 WeakPolarHBondContact CA-O 3.44Å; N253-V279 PolarHBondContact N-O 3.43Å; A254-V279 PolarHBondContact N-O 2.92Å; V279-A293 HydrophobicContact CG1-CB 4.49Å; V279-I294 WeakPolarHBondContact CA-O 3.48Å; V279-I294 WeakPolarHBondContact CG1-O 3.29Å; V279-I295 HydrophobicContact CG1-CG1 4.19Å; V279-I295 HydrophobicContact CG2-CG1 4.27Å
280Q98.9Very high98.8Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-130146.6-175.4-43.297-41.800111.6L126 N253 V257 F278 A293 I294L126-Q280 VanDerWaalsContact CD2-NE2 3.29Å; N253-Q280 HydrophobicContact CB-CG 3.94Å; N253-Q280 VanDerWaalsContact ND2-CG 3.32Å; N253-Q280 WeakPolarHBondContact ND2-CG 3.43Å; N253-Q280 WeakPolarHBondContact O-CG 3.39Å; V257-Q280 HydrophobicContact CG2-CB 3.75Å; V257-Q280 HydrophobicContact CG2-CG 3.54Å; F278-Q280 PolarHBondContact O-OE1 2.84Å; Q280-A293 CarbonylContact O-C 3.59Å; Q280-A293 WeakPolarHBondContact O-CA 3.42Å; Q280-A293 WeakPolarHBondContact O-CB 3.28Å; Q280-I294 PolarHBondContact N-O 2.88Å; Q280-I294 PolarHBondContact O-N 2.91Å; Q280-I294 PolarHBondContact OE1-O 2.76Å
281S98.9Very high98.6Very high1 Ų137 Ų371%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-83145.1174.9124.50000111T144 A254 D283 K284 N285T144-S281 WeakPolarHBondContact OG1-CA 3.43Å; T144-S281 WeakPolarHBondContact OG1-CB 3.41Å; T144-S281 PolarHBondContact OG1-N 3.16Å; A254-S281 WeakPolarHBondContact O-CB 3.31Å; A254-S281 PolarHBondContact O-N 2.87Å; S281-D283 WeakPolarHBondContact CB-OD1 3.17Å; S281-D283 PolarHBondContact OG-N 2.58Å; S281-D283 PolarHBondContact OG-OD1 3.11Å; S281-K284 WeakPolarHBondContact OG-CB 3.31Å; S281-K284 VanDerWaalsContact OG-CG 3.26Å; S281-K284 WeakPolarHBondContact OG-CG 3.43Å; S281-K284 PolarHBondContact OG-N 3.48Å; S281-K284 VanDerWaalsContact OG-N 3.11Å; S281-N285 PolarHBondContact O-ND2 3.49Å
282L98.9Very high98.6Very high0 Ų029.1 Ų29.10%017%0.169CC..SBendtrans-72.1-49.9174.7-69.9-176000111.4V139 K284 N285 F286 V288 G292 I294 P318 V322V139-L282 HydrophobicContact CG1-CD1 3.89Å; L282-K284 VanDerWaalsContact C-N 3.3Å; L282-K284 PolarHBondContact O-N 3.48Å; L282-N285 PolarHBondContact O-N 3.25Å; L282-F286 HydrophobicContact CD2-CD2 3.96Å; L282-F286 HydrophobicContact CD2-CE2 4.16Å; L282-F286 WeakPolarHBondContact O-CB 3.48Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 2.92Å; L282-V288 HydrophobicContact CB-CG2 3.63Å; L282-G292 PolarHBondContact N-O 3.03Å; L282-I294 HydrophobicContact CD2-CD1 3.62Å; L282-I294 HydrophobicContact CD2-CG1 3.58Å; L282-P318 HydrophobicContact CD1-CB 3.84Å; L282-V322 HydrophobicContact CD1-CB 4.37Å; L282-V322 HydrophobicContact CD1-CG1 4.34Å; L282-V322 HydrophobicContact CD2-CB 4.3Å; L282-V322 HydrophobicContact CD2-CG1 4.44Å; L282-V322 HydrophobicContact CD2-CG2 4.1Å
283D98.8Very high98.6Very high34 Ų3426.5 Ų26.518%0.18215%0.153CC..Hα-helixtrans-55.9-42.6-175.757.1-67.9000113.1S281 N285 M287 V288 V290S281-D283 WeakPolarHBondContact CB-OD1 3.17Å; S281-D283 PolarHBondContact OG-N 2.58Å; S281-D283 PolarHBondContact OG-OD1 3.11Å; D283-N285 VanDerWaalsContact C-N 3.34Å; D283-N285 PolarHBondContact O-N 3.13Å; D283-M287 PolarHBondContact O-N 3.04Å; D283-V288 VanDerWaalsContact CA-O 3.22Å; D283-V288 WeakPolarHBondContact CA-O 3.18Å; D283-V288 WeakPolarHBondContact CB-O 3.3Å; D283-V290 HydrophobicContact CB-CG2 4.1Å
284K98.7Very high98.6Very high74 Ų7425.4 Ų25.432%0.32214%0.142SC..Hα-helixtrans-77.7-18-175.1-61174.5-167.9174.70114.3Y255 Q258 S281 L282Y255-K284 HydrophobicContact CD1-CD 3.94Å; Y255-K284 HydrophobicContact CG-CD 4.24Å; Q258-K284 PolarHBondContact NE2-O 3.02Å; S281-K284 WeakPolarHBondContact OG-CB 3.31Å; S281-K284 VanDerWaalsContact OG-CG 3.26Å; S281-K284 WeakPolarHBondContact OG-CG 3.43Å; S281-K284 PolarHBondContact OG-N 3.48Å; S281-K284 VanDerWaalsContact OG-N 3.11Å; L282-K284 VanDerWaalsContact C-N 3.3Å; L282-K284 PolarHBondContact O-N 3.48Å
285N98.9Very high98.6Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-115.8-16.3-174.2-64.8-71.1000113.2A254 Y255 V257 Q258 S281 L282 D283 Y334A254-N285 PolarHBondContact O-ND2 3.39Å; Y255-N285 VanDerWaalsContact C-OD1 3.26Å; Y255-N285 WeakPolarHBondContact CA-OD1 3.34Å; V257-N285 HydrophobicContact CB-CB 3.9Å; V257-N285 WeakPolarHBondContact CB-OD1 3.39Å; V257-N285 HydrophobicContact CG2-CB 4.26Å; V257-N285 PolarHBondContact N-OD1 3.31Å; V257-N285 VanDerWaalsContact N-OD1 3.11Å; Q258-N285 PolarHBondContact N-OD1 2.96Å; S281-N285 PolarHBondContact O-ND2 3.49Å; L282-N285 PolarHBondContact O-N 3.25Å; D283-N285 VanDerWaalsContact C-N 3.34Å; D283-N285 PolarHBondContact O-N 3.13Å; N285-Y334 WeakPolarHBondContact O-CE2 3.42Å; N285-Y334 PolarHBondContact O-OH 3.49Å
286F98.8Very high98.6Very high4 Ų422.4 Ų22.42%0.01813%0.129CC..Hα-helixtrans-133.88-172.4-56.2-85.8000113.3I125 V257 L282 V288 I294 V322 T325 L326 Y334I125-F286 HydrophobicContact CG2-CE1 3.77Å; I125-F286 HydrophobicContact CG2-CZ 4.23Å; V257-F286 HydrophobicContact CG1-CZ 4.17Å; L282-F286 HydrophobicContact CD2-CD2 3.96Å; L282-F286 HydrophobicContact CD2-CE2 4.16Å; L282-F286 WeakPolarHBondContact O-CB 3.48Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 2.92Å; F286-V288 VanDerWaalsContact C-N 3.26Å; F286-V288 HydrophobicContact CB-CG2 4.45Å; F286-V288 PolarHBondContact O-N 2.68Å; F286-I294 HydrophobicContact CE2-CD1 3.57Å; F286-I294 HydrophobicContact CZ-CD1 3.94Å; F286-V322 HydrophobicContact CB-CG2 4.05Å; F286-V322 HydrophobicContact CD1-CG2 4.03Å; F286-V322 HydrophobicContact CD2-CG2 4.37Å; F286-V322 HydrophobicContact CG-CG2 3.89Å; F286-T325 WeakPolarHBondContact O-CG2 3.26Å; F286-L326 HydrophobicContact CD1-CD1 4.41Å; F286-L326 HydrophobicContact CD1-CD2 3.95Å; F286-L326 HydrophobicContact CD1-CG 4.4Å; F286-L326 HydrophobicContact CE1-CD1 4.31Å; F286-L326 HydrophobicContact CE1-CD2 4.17Å; F286-Y334 AromaticContact CD1-CE2 3.93Å; F286-Y334 HydrophobicContact CD1-CE2 3.93Å; F286-Y334 HydrophobicContact CE1-CE2 4.17Å; F286-Y334 AromaticContact CE1-CZ 3.95Å
287M98.7Very high98.6Very high97 Ų9721.6 Ų21.648%0.47813%0.125SC..SBendtrans58.335.8173.5-57.2164.255.200113.7D283 Y337 V440D283-M287 PolarHBondContact O-N 3.04Å; M287-Y337 HydrophobicContact CE-CE1 4.28Å; M287-Y337 HydrophobicContact SD-CD1 4.36Å; M287-Y337 HydrophobicContact SD-CE1 4.21Å; M287-V440 HydrophobicContact CG-CG1 4.26Å; M287-V440 HydrophobicContact SD-CG2 4.45Å
288V98.8Very high98.6Very high16 Ų1624 Ų2410%0.09714%0.136CC..  trans-108.4168.7177.3-64.70000111.1L282 D283 F286 D321 T325L282-V288 HydrophobicContact CB-CG2 3.63Å; D283-V288 VanDerWaalsContact CA-O 3.22Å; D283-V288 WeakPolarHBondContact CA-O 3.18Å; D283-V288 WeakPolarHBondContact CB-O 3.3Å; F286-V288 VanDerWaalsContact C-N 3.26Å; F286-V288 HydrophobicContact CB-CG2 4.45Å; F286-V288 PolarHBondContact O-N 2.68Å; V288-D321 HydrophobicContact CB-CB 4.05Å; V288-D321 HydrophobicContact CG1-CB 3.96Å; V288-T325 WeakPolarHBondContact CG1-OG1 3.02Å
289P98.8Very high98.6Very high86 Ų8627.3 Ų27.356%0.55815%0.153SC*.  trans-56.2149.2175.2-26.736.6000113.6G291P289-G291 PolarHBondContact O-N 3.12Å
290V98.5Very high98.6Very high115 Ų11532.2 Ų32.270%0.69718%0.176SC*.SBendtrans-60.7135172.5-177.80000109.5D283D283-V290 HydrophobicContact CB-CG2 4.1Å
291G94.8Very high98.5Very high26 Ų2635.9 Ų35.927%0.26820%0.201SC..SBendtrans145.6-6.7171.100000115.9P141 M142 P289P141-G291 CarbonylContact C-O 3.57Å; M142-G291 CarbonylContact C-O 3.48Å; M142-G291 WeakPolarHBondContact CA-O 3.4Å; M142-G291 PolarHBondContact N-O 2.58Å; M142-G291 VanDerWaalsContact N-O 3.1Å; P289-G291 PolarHBondContact O-N 3.12Å
292G98.6Very high98.5Very high0 Ų035.9 Ų35.90%020%0.201CC..  trans-127.1161.617500000113.8V140 M142 L282V140-G292 WeakPolarHBondContact O-CA 3.48Å; M142-G292 CarbonylContact O-C 3.5Å; M142-G292 VanDerWaalsContact O-C 3.24Å; M142-G292 WeakPolarHBondContact O-CA 3.5Å; L282-G292 PolarHBondContact N-O 3.03Å
293A98.9Very high98.5Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-144.2169.5176.100000110.2V139 V140 M142 S147 V279 Q280V139-A293 WeakPolarHBondContact CA-O 3.09Å; V140-A293 HydrophobicContact CG1-CB 4.14Å; V140-A293 PolarHBondContact N-O 3.28Å; V140-A293 PolarHBondContact O-N 2.87Å; M142-A293 VanDerWaalsContact O-CB 3.24Å; M142-A293 WeakPolarHBondContact O-CB 3.45Å; M142-A293 PolarHBondContact O-N 3.1Å; M142-A293 VanDerWaalsContact O-N 3.12Å; S147-A293 VanDerWaalsContact OG-CB 3.31Å; S147-A293 WeakPolarHBondContact OG-CB 3.49Å; V279-A293 HydrophobicContact CG1-CB 4.49Å; Q280-A293 CarbonylContact O-C 3.59Å; Q280-A293 WeakPolarHBondContact O-CA 3.42Å; Q280-A293 WeakPolarHBondContact O-CB 3.28Å
294I98.9Very high98.4Very high0 Ų037.8 Ų37.80%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8133.7172.5-57.3156000106.8V122 L126 C137 V139 V279 Q280 L282 F286 A296V122-I294 HydrophobicContact CG1-CD1 3.34Å; V122-I294 HydrophobicContact CG1-CG1 3.77Å; V122-I294 HydrophobicContact CG1-CG2 3.96Å; L126-I294 HydrophobicContact CD1-CG2 4.13Å; C137-I294 HydrophobicContact CB-CG2 3.93Å; V139-I294 HydrophobicContact CG2-CG1 4.3Å; V279-I294 WeakPolarHBondContact CA-O 3.48Å; V279-I294 WeakPolarHBondContact CG1-O 3.29Å; Q280-I294 PolarHBondContact N-O 2.88Å; Q280-I294 PolarHBondContact O-N 2.91Å; Q280-I294 PolarHBondContact OE1-O 2.76Å; L282-I294 HydrophobicContact CD2-CD1 3.62Å; L282-I294 HydrophobicContact CD2-CG1 3.58Å; F286-I294 HydrophobicContact CE2-CD1 3.57Å; F286-I294 HydrophobicContact CZ-CD1 3.94Å; I294-A296 HydrophobicContact CG2-CB 4.43Å
295I98.9Very high98.4Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-109.1123.1165.9-61.3175.2000106.2C137 F138 V140 L150 A277 V279 I306C137-I295 CarbonylContact C-O 3.27Å; C137-I295 WeakPolarHBondContact CA-O 3.19Å; C137-I295 WeakPolarHBondContact CB-O 3.32Å; F138-I295 HydrophobicContact CD1-CB 4.4Å; F138-I295 HydrophobicContact CE1-CB 3.85Å; F138-I295 HydrophobicContact CE1-CD1 4.48Å; F138-I295 HydrophobicContact CE1-CG2 4.04Å; F138-I295 HydrophobicContact CE2-CD1 4.31Å; F138-I295 HydrophobicContact CZ-CB 4Å; F138-I295 HydrophobicContact CZ-CD1 3.81Å; F138-I295 HydrophobicContact CZ-CG1 4.37Å; F138-I295 HydrophobicContact CZ-CG2 4.39Å; F138-I295 PolarHBondContact N-O 3.18Å; F138-I295 PolarHBondContact O-N 3.42Å; V140-I295 HydrophobicContact CG1-CD1 4.05Å; V140-I295 HydrophobicContact CG1-CG1 4.1Å; L150-I295 HydrophobicContact CD2-CD1 4.08Å; A277-I295 HydrophobicContact CB-CG2 4.46Å; V279-I295 HydrophobicContact CG1-CG1 4.19Å; V279-I295 HydrophobicContact CG2-CG1 4.27Å; I295-I306 HydrophobicContact CD1-CG2 3.86Å; I295-I306 HydrophobicContact CG2-CD1 3.94Å; I295-I306 HydrophobicContact CG2-CG2 4.33Å
296A98.9Very high98.4Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-131.9156.2-17800000110.8L126 V134 S136 C137 A277 F278 I294L126-A296 HydrophobicContact CD1-CB 3.67Å; V134-A296 HydrophobicContact CG2-CB 4Å; S136-A296 WeakPolarHBondContact O-CA 3.16Å; C137-A296 HydrophobicContact CB-CB 3.58Å; A277-A296 CarbonylContact C-O 3.56Å; A277-A296 VanDerWaalsContact CA-O 3.24Å; A277-A296 WeakPolarHBondContact CA-O 3.23Å; F278-A296 HydrophobicContact CD1-CB 4.29Å; F278-A296 WeakPolarHBondContact CD1-O 3.46Å; F278-A296 HydrophobicContact CD2-CB 4.11Å; F278-A296 HydrophobicContact CE1-CB 3.8Å; F278-A296 HydrophobicContact CE2-CB 3.61Å; F278-A296 HydrophobicContact CG-CB 4.43Å; F278-A296 HydrophobicContact CZ-CB 3.43Å; F278-A296 VanDerWaalsContact CZ-CB 3.43Å; F278-A296 PolarHBondContact N-O 3.23Å; F278-A296 PolarHBondContact O-N 3.14Å; I294-A296 HydrophobicContact CG2-CB 4.43Å
297G98.8Very high98.3Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-163.6177.9-179.300000113.2A135 S136A135-G297 PolarHBondContact N-O 3.25Å; S136-G297 PolarHBondContact N-O 2.94Å; S136-G297 PolarHBondContact O-N 3.23Å
298F98.7Very high98.3Very high50 Ų5038.1 Ų38.122%0.21921%0.209CC..SBendtrans-102.9-18.5-177.6-55.6-83.6000112.5V131 S133 A135 I266 A270 I275 F278V131-F298 HydrophobicContact CG1-CE1 3.58Å; V131-F298 HydrophobicContact CG1-CZ 3.61Å; S133-F298 WeakPolarHBondContact OG-CE1 3.22Å; A135-F298 WeakPolarHBondContact CB-O 3.22Å; I266-F298 HydrophobicContact CG2-CE2 4.28Å; I266-F298 HydrophobicContact CG2-CZ 3.91Å; A270-F298 HydrophobicContact CB-CD1 3.93Å; A270-F298 HydrophobicContact CB-CD2 3.75Å; A270-F298 HydrophobicContact CB-CE1 3.57Å; A270-F298 HydrophobicContact CB-CE2 3.38Å; A270-F298 HydrophobicContact CB-CG 4.02Å; A270-F298 HydrophobicContact CB-CZ 3.27Å; I275-F298 HydrophobicContact CB-CD2 4.14Å; I275-F298 HydrophobicContact CB-CE2 3.87Å; I275-F298 HydrophobicContact CG2-CD2 4.21Å; I275-F298 HydrophobicContact CG2-CE2 3.77Å; I275-F298 WeakPolarHBondContact O-CD2 3.32Å; F278-F298 AromaticContact CD1-CE2 3.94Å; F278-F298 HydrophobicContact CD1-CE2 3.94Å; F278-F298 HydrophobicContact CD1-CZ 4.35Å; F278-F298 HydrophobicContact CE1-CD2 4.47Å; F278-F298 AromaticContact CE1-CE2 3.75Å; F278-F298 HydrophobicContact CE1-CE2 3.75Å; F278-F298 AromaticContact CE1-CZ 3.81Å; F278-F298 HydrophobicContact CE1-CZ 3.81Å
299D98.4Very high98.2Very high70 Ų7040.2 Ų40.237%0.37422%0.219SC..  trans-102.5110.1169.1174.59.4000109.4C301 F302 V303D299-C301 VanDerWaalsContact C-N 3.28Å; D299-C301 PolarHBondContact O-N 3.11Å; D299-C301 WeakPolarHBondContact OD1-CB 2.99Å; D299-C301 PolarHBondContact OD1-N 3.1Å; D299-F302 HydrophobicContact CB-CB 4.07Å; D299-F302 PolarHBondContact O-N 3.47Å; D299-F302 PolarHBondContact OD1-N 3.19Å; D299-F302 WeakPolarHBondContact OD2-CB 3.25Å; D299-F302 PolarHBondContact OD2-N 3.45Å; D299-V303 WeakPolarHBondContact O-CG2 3.4Å; D299-V303 PolarHBondContact O-N 2.88Å; D299-V303 VanDerWaalsContact O-N 3.08Å
300E98.1Very high98.2Very high104 Ų10438.1 Ų38.149%0.48620%0.2SC..Hα-helixtrans-60.3-38.2178.5-179174.4-177.100112.1V303 Q304E300-V303 PolarHBondContact O-N 3.44Å; E300-Q304 HydrophobicContact CG-CG 4.29Å; E300-Q304 WeakPolarHBondContact O-CB 3.34Å; E300-Q304 VanDerWaalsContact O-CG 3.26Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.13Å; E300-Q304 PolarHBondContact OE1-NE2 2.82Å
301C98.1Very high98Very high77 Ų7737.8 Ų37.852%0.5220%0.2SC..Hα-helixtrans-63.2-46.2-179.9-680000110.8D299 Q304 E305D299-C301 VanDerWaalsContact C-N 3.28Å; D299-C301 PolarHBondContact O-N 3.11Å; D299-C301 WeakPolarHBondContact OD1-CB 2.99Å; D299-C301 PolarHBondContact OD1-N 3.1Å; C301-Q304 PolarHBondContact O-N 2.96Å; C301-E305 WeakPolarHBondContact O-CG 3.45Å; C301-E305 PolarHBondContact O-N 3.2Å
302F98.5Very high98Very high1 Ų137.6 Ų37.60%0.00420%0.198CC..Hα-helixtrans-64.3-42.4176.9-178.8-122.8000112.6T154 L155 I250 D276 A277 D299 Q304 E305 I306T154-F302 HydrophobicContact CG2-CE2 4.15Å; L155-F302 HydrophobicContact CD2-CE2 3.73Å; L155-F302 HydrophobicContact CD2-CZ 3.55Å; L155-F302 HydrophobicContact CG-CE2 4.34Å; L155-F302 HydrophobicContact CG-CZ 3.94Å; I250-F302 HydrophobicContact CD1-CE1 4.4Å; D276-F302 HydrophobicContact CB-CD1 3.89Å; D276-F302 HydrophobicContact CB-CE1 3.56Å; D276-F302 HydrophobicContact CB-CZ 4.41Å; D276-F302 WeakPolarHBondContact O-CD1 3.42Å; A277-F302 HydrophobicContact CB-CE1 4.17Å; D299-F302 HydrophobicContact CB-CB 4.07Å; D299-F302 PolarHBondContact O-N 3.47Å; D299-F302 PolarHBondContact OD1-N 3.19Å; D299-F302 WeakPolarHBondContact OD2-CB 3.25Å; D299-F302 PolarHBondContact OD2-N 3.45Å; F302-Q304 VanDerWaalsContact C-N 3.29Å; F302-Q304 PolarHBondContact O-N 3.43Å; F302-E305 WeakPolarHBondContact O-CB 3.33Å; F302-E305 PolarHBondContact O-N 2.97Å; F302-E305 VanDerWaalsContact O-N 3.15Å; F302-I306 HydrophobicContact CD1-CD1 4.11Å; F302-I306 HydrophobicContact CE1-CD1 3.69Å; F302-I306 HydrophobicContact CE1-CG1 4.39Å; F302-I306 HydrophobicContact CE2-CD1 4.39Å; F302-I306 HydrophobicContact CE2-CG1 4.21Å; F302-I306 HydrophobicContact CZ-CD1 3.85Å; F302-I306 HydrophobicContact CZ-CG1 4.12Å; F302-I306 WeakPolarHBondContact O-CG1 3.24Å; F302-I306 PolarHBondContact O-N 2.93Å
303V98.5Very high97.8Very high1 Ų140.1 Ų40.11%0.00621%0.208CC..Hα-helixtrans-61.2-40.2176.1175.20000111.1F138 D299 E300 I306 S307F138-V303 HydrophobicContact CD1-CG1 3.75Å; F138-V303 HydrophobicContact CE1-CG1 3.95Å; F138-V303 WeakPolarHBondContact CE1-O 3.49Å; D299-V303 WeakPolarHBondContact O-CG2 3.4Å; D299-V303 PolarHBondContact O-N 2.88Å; D299-V303 VanDerWaalsContact O-N 3.08Å; E300-V303 PolarHBondContact O-N 3.44Å; V303-I306 PolarHBondContact O-N 3.46Å; V303-S307 PolarHBondContact O-N 2.89Å; V303-S307 VanDerWaalsContact O-N 3.07Å
304Q97.6Very high97.8Very high73 Ų7340.6 Ų40.634%0.34121%0.212SC..Hα-helixtrans-66-36.2174.8-72.2179.21100112.6E300 C301 F302 I306 S307 K308E300-Q304 HydrophobicContact CG-CG 4.29Å; E300-Q304 WeakPolarHBondContact O-CB 3.34Å; E300-Q304 VanDerWaalsContact O-CG 3.26Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.13Å; E300-Q304 PolarHBondContact OE1-NE2 2.82Å; C301-Q304 PolarHBondContact O-N 2.96Å; F302-Q304 VanDerWaalsContact C-N 3.29Å; F302-Q304 PolarHBondContact O-N 3.43Å; Q304-I306 VanDerWaalsContact C-N 3.35Å; Q304-S307 WeakPolarHBondContact O-CB 3.46Å; Q304-S307 PolarHBondContact O-N 3.08Å; Q304-K308 WeakPolarHBondContact O-CG 3.5Å; Q304-K308 PolarHBondContact O-N 3.09Å
305E98.1Very high97.7Very high72 Ų7243.7 Ų43.734%0.33623%0.234SC..Hα-helixtrans-61.2-43.3173.2-75.8171.8-15000111.8T154 R158 C301 F302 S307 K308 M309T154-E305 HydrophobicContact CG2-CB 4.01Å; R158-E305 IonicContact CZ-OE1 2.67Å; R158-E305 IonicContact CZ-OE2 2.72Å; R158-E305 IonicContact NE-OE1 2.84Å; R158-E305 IonicContact NE-OE2 2.71Å; R158-E305 PolarHBondContact NE-OE2 2.88Å; R158-E305 IonicContact NH2-OE1 3.86Å; R158-E305 PolarHBondContact NH2-OE1 2.81Å; R158-E305 IonicContact NH2-OE2 2.92Å; R158-E305 PolarHBondContact NH2-OE2 3.01Å; C301-E305 WeakPolarHBondContact O-CG 3.45Å; C301-E305 PolarHBondContact O-N 3.2Å; F302-E305 WeakPolarHBondContact O-CB 3.33Å; F302-E305 PolarHBondContact O-N 2.97Å; F302-E305 VanDerWaalsContact O-N 3.15Å; E305-S307 VanDerWaalsContact C-N 3.26Å; E305-S307 PolarHBondContact O-N 3.38Å; E305-K308 PolarHBondContact O-N 3.14Å; E305-M309 WeakPolarHBondContact O-CB 3.3Å; E305-M309 PolarHBondContact O-N 2.58Å
306I98.3Very high97.7Very high0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-61.7-39.9175.5-56.1166.5000110.4F138 L150 T154 A277 I295 F302 V303 Q304 M309F138-I306 HydrophobicContact CE1-CB 4.32Å; F138-I306 HydrophobicContact CE1-CG2 4.41Å; F138-I306 HydrophobicContact CZ-CB 4.29Å; F138-I306 HydrophobicContact CZ-CG2 3.99Å; L150-I306 HydrophobicContact CD2-CG2 3.99Å; L150-I306 HydrophobicContact CG-CG2 3.81Å; T154-I306 HydrophobicContact CG2-CB 4.46Å; T154-I306 HydrophobicContact CG2-CG1 3.88Å; T154-I306 WeakPolarHBondContact OG1-CA 3.49Å; A277-I306 HydrophobicContact CB-CD1 4.17Å; I295-I306 HydrophobicContact CD1-CG2 3.86Å; I295-I306 HydrophobicContact CG2-CD1 3.94Å; I295-I306 HydrophobicContact CG2-CG2 4.33Å; F302-I306 HydrophobicContact CD1-CD1 4.11Å; F302-I306 HydrophobicContact CE1-CD1 3.69Å; F302-I306 HydrophobicContact CE1-CG1 4.39Å; F302-I306 HydrophobicContact CE2-CD1 4.39Å; F302-I306 HydrophobicContact CE2-CG1 4.21Å; F302-I306 HydrophobicContact CZ-CD1 3.85Å; F302-I306 HydrophobicContact CZ-CG1 4.12Å; F302-I306 WeakPolarHBondContact O-CG1 3.24Å; F302-I306 PolarHBondContact O-N 2.93Å; V303-I306 PolarHBondContact O-N 3.46Å; Q304-I306 VanDerWaalsContact C-N 3.35Å; I306-M309 WeakPolarHBondContact O-CB 3.39Å; I306-M309 PolarHBondContact O-N 2.97Å
307S97.9Very high97.7Very high4 Ų445.6 Ų45.63%0.02825%0.247CC..Hα-helixtrans-61.3-46.9176.5-154.80000112.2I101 V303 Q304 E305 M309 Y310I101-S307 WeakPolarHBondContact CG2-O 3.24Å; I101-S307 WeakPolarHBondContact CG2-OG 3.46Å; V303-S307 PolarHBondContact O-N 2.89Å; V303-S307 VanDerWaalsContact O-N 3.07Å; Q304-S307 WeakPolarHBondContact O-CB 3.46Å; Q304-S307 PolarHBondContact O-N 3.08Å; E305-S307 VanDerWaalsContact C-N 3.26Å; E305-S307 PolarHBondContact O-N 3.38Å; S307-M309 VanDerWaalsContact C-N 3.28Å; S307-M309 PolarHBondContact O-N 2.92Å; S307-Y310 WeakPolarHBondContact O-CB 3.18Å; S307-Y310 PolarHBondContact O-N 3.36Å
308K97.6Very high97.7Very high105 Ų10546.2 Ų46.246%0.45725%0.251SS..Hα-helixtrans-69.4-22.9178.3-69.9168.5-174167.60113.4D100 Q304 E305 Y310D100-K308 HydrophobicContact CB-CG 4.09Å; Q304-K308 WeakPolarHBondContact O-CG 3.5Å; Q304-K308 PolarHBondContact O-N 3.09Å; E305-K308 PolarHBondContact O-N 3.14Å; K308-Y310 PolarHBondContact O-N 3.43Å
309M97.7Very high97.7Very high61 Ų6143.9 Ų43.930%0.324%0.241SC..THydrogen-bonded Turntrans-69-19.6175.6-168.954.759.600112.6L150 T154 H157 E305 I306 S307 P311L150-M309 HydrophobicContact CD1-CB 4.13Å; L150-M309 HydrophobicContact CD1-CG 4.11Å; T154-M309 WeakPolarHBondContact OG1-CB 3.26Å; H157-M309 WeakPolarHBondContact CD2-CE 3.46Å; E305-M309 WeakPolarHBondContact O-CB 3.3Å; E305-M309 PolarHBondContact O-N 2.58Å; I306-M309 WeakPolarHBondContact O-CB 3.39Å; I306-M309 PolarHBondContact O-N 2.97Å; S307-M309 VanDerWaalsContact C-N 3.28Å; S307-M309 PolarHBondContact O-N 2.92Å; M309-P311 WeakPolarHBondContact O-CD 3.05Å
310Y97.8Very high97.7Very high41 Ų4140.9 Ų40.916%0.16123%0.225CC..SBendtrans-71.1120.4176.8-171.6-78.4000110.9I101 V140 M142 L150 S307 K308 G312 A314I101-Y310 HydrophobicContact CB-CD1 4.18Å; I101-Y310 HydrophobicContact CB-CG 4.27Å; I101-Y310 HydrophobicContact CD1-CD1 3.89Å; I101-Y310 HydrophobicContact CD1-CD2 4.02Å; I101-Y310 HydrophobicContact CD1-CE1 4.11Å; I101-Y310 HydrophobicContact CD1-CE2 4.21Å; I101-Y310 HydrophobicContact CD1-CG 3.86Å; I101-Y310 HydrophobicContact CG1-CD1 4.31Å; V140-Y310 HydrophobicContact CG2-CD2 4.24Å; V140-Y310 HydrophobicContact CG2-CE2 4.34Å; M142-Y310 HydrophobicContact CE-CD2 3.9Å; M142-Y310 HydrophobicContact CE-CE2 3.84Å; M142-Y310 HydrophobicContact CG-CE2 4.36Å; M142-Y310 HydrophobicContact SD-CE2 3.96Å; L150-Y310 HydrophobicContact CD2-CD2 4.26Å; S307-Y310 WeakPolarHBondContact O-CB 3.18Å; S307-Y310 PolarHBondContact O-N 3.36Å; K308-Y310 PolarHBondContact O-N 3.43Å; Y310-G312 WeakPolarHBondContact CD1-O 3.5Å; Y310-G312 PolarHBondContact O-N 2.81Å; Y310-A314 HydrophobicContact CE1-CB 3.78Å
311P95.5Very high97.8Very high109 Ų10937.9 Ų37.971%0.70821%0.212SC*.  trans-85.1114.7-177.332.5-32.5000111.6M309M309-P311 WeakPolarHBondContact O-CD 3.05Å
312G94.3Very high97.8Very high22 Ų2234.2 Ų34.223%0.22719%0.187CC..SBendtrans96.5-173.1173.100000115.3R97 S98 Y310R97-G312 CarbonylContact O-C 3.51Å; S98-G312 PolarHBondContact O-N 3.43Å; S98-G312 VanDerWaalsContact O-N 3.08Å; Y310-G312 WeakPolarHBondContact CD1-O 3.5Å; Y310-G312 PolarHBondContact O-N 2.81Å
313R95Very high97.8Very high53 Ų5334.2 Ų34.220%0.219%0.188CC..  trans-77.8159.8172-60.8-166.6-166.3-175.20.4110.3H93 I95 Q105H93-R313 PolarHBondContact ND1-NH1 3.41Å; H93-R313 WeakPolarHBondContact O-CD 3.42Å; H93-R313 PolarHBondContact O-NH1 2.81Å; I95-R313 WeakPolarHBondContact O-CA 3.39Å; I95-R313 WeakPolarHBondContact O-CB 3.41Å; Q105-R313 VanDerWaalsContact CD-CZ 3.49Å; Q105-R313 VanDerWaalsContact NE2-NE 3.18Å
314A97.4Very high97.8Very high10 Ų1036.1 Ų36.18%0.08320%0.197CC..BIsolated β-bridgetrans-131.9167.5178.600000112.2G94 I95 I101 P141 Y310G94-A314 CarbonylContact C-O 3.35Å; G94-A314 VanDerWaalsContact CA-O 3.27Å; G94-A314 WeakPolarHBondContact CA-O 3.49Å; I95-A314 HydrophobicContact CD1-CB 4.4Å; I95-A314 HydrophobicContact CG1-CB 3.97Å; I95-A314 PolarHBondContact N-O 3.49Å; I95-A314 PolarHBondContact O-N 2.8Å; I95-A314 VanDerWaalsContact O-N 3.09Å; I101-A314 HydrophobicContact CD1-CB 3.41Å; I101-A314 VanDerWaalsContact CD1-CB 3.41Å; I101-A314 HydrophobicContact CG1-CB 3.91Å; P141-A314 HydrophobicContact CG-CB 3.33Å; Y310-A314 HydrophobicContact CE1-CB 3.78Å
315S98.3Very high97.9Very high65 Ų6534.3 Ų34.346%0.45519%0.191SC..  trans-63135.3177.1-178.40000111.2P141 S317P141-S315 WeakPolarHBondContact CB-O 3.43Å; P141-S315 WeakPolarHBondContact CG-O 3.05Å; S315-S317 PolarHBondContact OG-N 3.44Å
316A98.3Very high97.9Very high9 Ų930.9 Ų30.97%0.07418%0.175CC..SBendtrans-83.7-11.7171.800000113I95 S319 L320I95-A316 HydrophobicContact CG2-CB 3.79Å; A316-S319 WeakPolarHBondContact O-CB 3.45Å; A316-S319 PolarHBondContact O-N 3.25Å; A316-S319 VanDerWaalsContact O-N 3.12Å; A316-L320 PolarHBondContact O-N 2.98Å
317S98.8Very high97.9Very high31 Ų3131 Ų3122%0.21718%0.176CC..Hα-helixtrans-58.3-47.2-171.1-161.40000112.7S315 S319 L320 D321S315-S317 PolarHBondContact OG-N 3.44Å; S317-S319 VanDerWaalsContact C-N 3.28Å; S317-S319 PolarHBondContact O-N 3.38Å; S317-L320 WeakPolarHBondContact O-CB 3.33Å; S317-L320 PolarHBondContact O-N 3.19Å; S317-L320 VanDerWaalsContact O-N 3.17Å; S317-D321 PolarHBondContact O-N 3.41Å
318P98.8Very high98Very high13 Ų1333.7 Ų33.78%0.08419%0.192CC..Hα-helixtrans-65.6-31.7179.2-23.738000113.2P141 L282 V322P141-P318 HydrophobicContact CB-CB 4.46Å; P141-P318 HydrophobicContact CB-CG 3.66Å; L282-P318 HydrophobicContact CD1-CB 3.84Å; P318-V322 WeakPolarHBondContact O-CG1 3.31Å; P318-V322 PolarHBondContact O-N 3.02Å
319S98.8Very high98Very high0 Ų030.4 Ų30.40%018%0.18CC..Hα-helixtrans-70.4-37.6174.8-58.30000112.1N115 T118 V139 A316 S317 L323N115-S319 PolarHBondContact OD1-OG 3.34Å; T118-S319 VanDerWaalsContact CG2-O 3.32Å; T118-S319 WeakPolarHBondContact CG2-O 3.4Å; T118-S319 PolarHBondContact OG1-O 2.89Å; T118-S319 VanDerWaalsContact OG1-O 3.11Å; V139-S319 WeakPolarHBondContact CG1-OG 3.33Å; A316-S319 WeakPolarHBondContact O-CB 3.45Å; A316-S319 PolarHBondContact O-N 3.25Å; A316-S319 VanDerWaalsContact O-N 3.12Å; S317-S319 VanDerWaalsContact C-N 3.28Å; S317-S319 PolarHBondContact O-N 3.38Å; S319-L323 VanDerWaalsContact O-CB 3.22Å; S319-L323 WeakPolarHBondContact O-CB 3.38Å; S319-L323 PolarHBondContact O-N 3.49Å; S319-L323 VanDerWaalsContact O-N 3.12Å
320L98.8Very high98.1Very high7 Ų727.5 Ų27.54%0.03717%0.165CC..Hα-helixtrans-64.9-48.9174.4177.164.1000110.7L55 Y89 L91 L114 A316 S317 V322 L323 I324L55-L320 HydrophobicContact CD1-CD1 4.14Å; L55-L320 HydrophobicContact CD2-CD1 3.62Å; Y89-L320 HydrophobicContact CD2-CD2 4.3Å; L91-L320 HydrophobicContact CD1-CD1 4.07Å; L91-L320 HydrophobicContact CD1-CD2 4.45Å; L114-L320 HydrophobicContact CD1-CD1 3.86Å; A316-L320 PolarHBondContact O-N 2.98Å; S317-L320 WeakPolarHBondContact O-CB 3.33Å; S317-L320 PolarHBondContact O-N 3.19Å; S317-L320 VanDerWaalsContact O-N 3.17Å; L320-V322 PolarHBondContact O-N 3.1Å; L320-L323 PolarHBondContact O-N 3.04Å; L320-I324 HydrophobicContact CD1-CD1 3.75Å; L320-I324 HydrophobicContact CD1-CG1 4.13Å; L320-I324 HydrophobicContact CG-CD1 3.84Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 PolarHBondContact O-N 2.82Å
321D98.9Very high98.1Very high41 Ų4125.9 Ų25.922%0.21916%0.16CC..Hα-helixtrans-57.5-52.4-178.4-63.5-22.9000110.8V288 S317 L323 I324 T325V288-D321 HydrophobicContact CB-CB 4.05Å; V288-D321 HydrophobicContact CG1-CB 3.96Å; S317-D321 PolarHBondContact O-N 3.41Å; D321-L323 PolarHBondContact O-N 2.85Å; D321-I324 PolarHBondContact O-N 3.26Å; D321-T325 PolarHBondContact O-N 3.32Å; D321-T325 PolarHBondContact O-OG1 3.47Å; D321-T325 VanDerWaalsContact O-OG1 3.05Å
322V98.9Very high98.3Very high0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-69.6-31.9-178.474.10000112.6T118 V122 V139 L282 F286 P318 L320 T325 L326T118-V322 HydrophobicContact CG2-CG1 3.41Å; T118-V322 VanDerWaalsContact CG2-CG1 3.41Å; V122-V322 HydrophobicContact CG2-CG1 4.24Å; V122-V322 HydrophobicContact CG2-CG2 4.26Å; V139-V322 HydrophobicContact CG2-CG1 4.44Å; L282-V322 HydrophobicContact CD1-CB 4.37Å; L282-V322 HydrophobicContact CD1-CG1 4.34Å; L282-V322 HydrophobicContact CD2-CB 4.3Å; L282-V322 HydrophobicContact CD2-CG1 4.44Å; L282-V322 HydrophobicContact CD2-CG2 4.1Å; F286-V322 HydrophobicContact CB-CG2 4.05Å; F286-V322 HydrophobicContact CD1-CG2 4.03Å; F286-V322 HydrophobicContact CD2-CG2 4.37Å; F286-V322 HydrophobicContact CG-CG2 3.89Å; P318-V322 WeakPolarHBondContact O-CG1 3.31Å; P318-V322 PolarHBondContact O-N 3.02Å; L320-V322 PolarHBondContact O-N 3.1Å; V322-T325 PolarHBondContact O-N 2.59Å; V322-L326 HydrophobicContact CG2-CD1 3.84Å; V322-L326 HydrophobicContact CG2-CG 4.17Å; V322-L326 WeakPolarHBondContact O-CB 3.49Å; V322-L326 VanDerWaalsContact O-CG 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.4Å; V322-L326 PolarHBondContact O-N 3.08Å
323L98.9Very high98.5Very high1 Ų121.9 Ų21.91%0.00513%0.13CC..Hα-helixtrans-66.4-47.6175.1-177.663.8000111F54 L114 T118 V121 S319 L320 D321 T325 L326 L327F54-L323 HydrophobicContact CE1-CD2 4.42Å; L114-L323 HydrophobicContact CD1-CD2 4.02Å; L114-L323 HydrophobicContact CG-CD2 3.84Å; T118-L323 HydrophobicContact CG2-CB 4.41Å; V121-L323 HydrophobicContact CG2-CD1 4.42Å; S319-L323 VanDerWaalsContact O-CB 3.22Å; S319-L323 WeakPolarHBondContact O-CB 3.38Å; S319-L323 PolarHBondContact O-N 3.49Å; S319-L323 VanDerWaalsContact O-N 3.12Å; L320-L323 PolarHBondContact O-N 3.04Å; D321-L323 PolarHBondContact O-N 2.85Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.41Å; L323-L326 PolarHBondContact O-N 3.12Å; L323-L327 HydrophobicContact CD1-CD1 3.92Å; L323-L327 HydrophobicContact CD1-CD2 4.43Å; L323-L327 HydrophobicContact CD1-CG 3.96Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.29Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 VanDerWaalsContact O-CG 3.25Å; L323-L327 WeakPolarHBondContact O-CG 3.03Å; L323-L327 PolarHBondContact O-N 2.87Å
324I98.9Very high98.7Very high42 Ų4219.6 Ų19.622%0.21512%0.121CC..Hα-helixtrans-55.7-51.3174.8-70.7170.1000109.5V51 L55 Y89 L320 D321 L326 L327 T328V51-I324 HydrophobicContact CG1-CG1 4.22Å; V51-I324 HydrophobicContact CG1-CG2 4.39Å; L55-I324 HydrophobicContact CD1-CD1 3.77Å; L55-I324 HydrophobicContact CD1-CG1 3.83Å; Y89-I324 HydrophobicContact CE2-CD1 4.22Å; L320-I324 HydrophobicContact CD1-CD1 3.75Å; L320-I324 HydrophobicContact CD1-CG1 4.13Å; L320-I324 HydrophobicContact CG-CD1 3.84Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 PolarHBondContact O-N 2.82Å; D321-I324 PolarHBondContact O-N 3.26Å; I324-L326 PolarHBondContact O-N 3.31Å; I324-L327 PolarHBondContact O-N 3.18Å; I324-T328 WeakPolarHBondContact O-CB 3.39Å; I324-T328 PolarHBondContact O-N 2.83Å; I324-T328 PolarHBondContact O-OG1 2.94Å
325T98.9Very high98.7Very high34 Ų3423.1 Ų23.121%0.20913%0.134CC..Hα-helixtrans-58.6-47.3-178.9-60.40000112.2F286 V288 D321 V322 L323 T328 L329F286-T325 WeakPolarHBondContact O-CG2 3.26Å; V288-T325 WeakPolarHBondContact CG1-OG1 3.02Å; D321-T325 PolarHBondContact O-N 3.32Å; D321-T325 PolarHBondContact O-OG1 3.47Å; D321-T325 VanDerWaalsContact O-OG1 3.05Å; V322-T325 PolarHBondContact O-N 2.59Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.41Å; T325-T328 PolarHBondContact O-N 3.36Å; T325-L329 HydrophobicContact CG2-CD1 3.73Å; T325-L329 HydrophobicContact CG2-CG 4.23Å; T325-L329 WeakPolarHBondContact O-CB 3.29Å; T325-L329 VanDerWaalsContact O-CG 3.24Å; T325-L329 WeakPolarHBondContact O-CG 3.39Å; T325-L329 PolarHBondContact O-N 3.4Å
326L98.9Very high98.8Very high1 Ų126.9 Ų26.91%0.00514%0.139CC..Hα-helixtrans-72.4-33.1-177.1-69.5176000113.1C41 V121 V122 I125 F286 V322 L323 I324 G330 Y334C41-L326 PolarHBondContact SG-O 3.43Å; V121-L326 HydrophobicContact CG1-CB 3.89Å; V121-L326 HydrophobicContact CG1-CD1 3.81Å; V121-L326 HydrophobicContact CG1-CG 4.49Å; V122-L326 HydrophobicContact CG2-CD1 4.02Å; I125-L326 HydrophobicContact CD1-CD2 4.07Å; I125-L326 HydrophobicContact CG1-CD1 3.94Å; I125-L326 HydrophobicContact CG1-CD2 3.85Å; I125-L326 HydrophobicContact CG1-CG 4.5Å; F286-L326 HydrophobicContact CD1-CD1 4.41Å; F286-L326 HydrophobicContact CD1-CD2 3.95Å; F286-L326 HydrophobicContact CD1-CG 4.4Å; F286-L326 HydrophobicContact CE1-CD1 4.31Å; F286-L326 HydrophobicContact CE1-CD2 4.17Å; V322-L326 HydrophobicContact CG2-CD1 3.84Å; V322-L326 HydrophobicContact CG2-CG 4.17Å; V322-L326 WeakPolarHBondContact O-CB 3.49Å; V322-L326 VanDerWaalsContact O-CG 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.4Å; V322-L326 PolarHBondContact O-N 3.08Å; L323-L326 PolarHBondContact O-N 3.12Å; I324-L326 PolarHBondContact O-N 3.31Å; L326-G330 WeakPolarHBondContact O-CA 3.41Å; L326-G330 PolarHBondContact O-N 3.38Å; L326-Y334 HydrophobicContact CD2-CD2 4.44Å
327L98.8Very high98.8Very high1 Ų129.9 Ų29.91%0.00515%0.149CC..Hα-helixtrans-69.2-38172.9-66.9-179.8000111.6L35 P42 G45 W46 V51 F54 L323 I324L35-L327 HydrophobicContact CD1-CD2 4.13Å; L35-L327 HydrophobicContact CD2-CD1 4.16Å; L35-L327 HydrophobicContact CD2-CD2 3.8Å; P42-L327 HydrophobicContact CG-CD2 4.07Å; G45-L327 CarbonylContact C-O 3.42Å; G45-L327 WeakPolarHBondContact CA-O 3.33Å; W46-L327 HydrophobicContact CE3-CB 4.47Å; W46-L327 HydrophobicContact CE3-CD1 4.2Å; W46-L327 HydrophobicContact CH2-CD2 4.49Å; W46-L327 HydrophobicContact CZ2-CD2 4.48Å; W46-L327 HydrophobicContact CZ3-CD1 4.04Å; W46-L327 PolarHBondContact N-O 2.9Å; V51-L327 HydrophobicContact CG2-CB 4.11Å; F54-L327 HydrophobicContact CD1-CD1 4.1Å; F54-L327 HydrophobicContact CE1-CD1 4.27Å; L323-L327 HydrophobicContact CD1-CD1 3.92Å; L323-L327 HydrophobicContact CD1-CD2 4.43Å; L323-L327 HydrophobicContact CD1-CG 3.96Å; L323-L327 HydrophobicContact CG-CD1 3.91Å; L323-L327 HydrophobicContact CG-CG 4.29Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 VanDerWaalsContact O-CG 3.25Å; L323-L327 WeakPolarHBondContact O-CG 3.03Å; L323-L327 PolarHBondContact O-N 2.87Å; I324-L327 PolarHBondContact O-N 3.18Å
328T98.8Very high98.8Very high61 Ų6129.5 Ų29.537%0.37414%0.144SC..Hα-helixtrans-72.1-37.8177.4-610000112.6G45 I324 T325G45-T328 WeakPolarHBondContact CA-O 3.44Å; I324-T328 WeakPolarHBondContact O-CB 3.39Å; I324-T328 PolarHBondContact O-N 2.83Å; I324-T328 PolarHBondContact O-OG1 2.94Å; T325-T328 PolarHBondContact O-N 3.36Å
329L98.7Very high98.8Very high37 Ų3732.2 Ų32.219%0.19416%0.161CC..Hα-helixtrans-76.9-39.3178-68.9179.6000112.4T325 G333 Y334 Y337T325-L329 HydrophobicContact CG2-CD1 3.73Å; T325-L329 HydrophobicContact CG2-CG 4.23Å; T325-L329 WeakPolarHBondContact O-CB 3.29Å; T325-L329 VanDerWaalsContact O-CG 3.24Å; T325-L329 WeakPolarHBondContact O-CG 3.39Å; T325-L329 PolarHBondContact O-N 3.4Å; L329-G333 VanDerWaalsContact O-CA 3.23Å; L329-G333 WeakPolarHBondContact O-CA 3.02Å; L329-G333 PolarHBondContact O-N 3.25Å; L329-G333 VanDerWaalsContact O-N 3.15Å; L329-Y334 HydrophobicContact CD1-CD2 4.32Å; L329-Y337 HydrophobicContact CD1-CD2 4.35Å; L329-Y337 HydrophobicContact CD1-CE2 4.45Å; L329-Y337 HydrophobicContact CD2-CD2 4.15Å; L329-Y337 HydrophobicContact CD2-CE2 3.64Å
330G98.8Very high98.7Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans61.8174.1-161.100000112.7C41 P42 L326 N332 G333 Y334C41-G330 VanDerWaalsContact SG-C 3.58Å; P42-G330 CarbonylContact O-C 3.45Å; P42-G330 WeakPolarHBondContact O-CA 3.49Å; L326-G330 WeakPolarHBondContact O-CA 3.41Å; L326-G330 PolarHBondContact O-N 3.38Å; G330-N332 VanDerWaalsContact C-N 3.28Å; G330-N332 PolarHBondContact O-N 2.88Å; G330-G333 PolarHBondContact O-N 2.86Å; G330-Y334 PolarHBondContact O-N 3.41Å
331A98.6Very high98.7Very high6 Ų636 Ų365%0.0518%0.177CC..Hα-helixtrans-62.1-38.2178.800000111.3C41 P42 E43 I128 Y334 K335C41-A331 HydrophobicContact CB-CB 4.48Å; C41-A331 PolarHBondContact SG-N 3.46Å; C41-A331 VanDerWaalsContact SG-N 3.41Å; P42-A331 PolarHBondContact O-N 3.2Å; E43-A331 PolarHBondContact O-N 3.02Å; I128-A331 HydrophobicContact CD1-CB 4Å; A331-Y334 PolarHBondContact O-N 3.39Å; A331-K335 WeakPolarHBondContact O-CB 3.47Å; A331-K335 WeakPolarHBondContact O-CG 3.31Å; A331-K335 PolarHBondContact O-N 3.15Å
332N98.7Very high98.7Very high40 Ų4038.4 Ų38.421%0.21419%0.186CC..Hα-helixtrans-72.4-38.2-179.2-71.6-14000112.5E43 E44 G330 K335 R336E43-N332 VanDerWaalsContact CG-ND2 3.26Å; E43-N332 WeakPolarHBondContact CG-ND2 3.35Å; E43-N332 WeakPolarHBondContact O-CB 3.42Å; E43-N332 PolarHBondContact O-N 3.25Å; E44-N332 PolarHBondContact OE1-ND2 3.16Å; G330-N332 VanDerWaalsContact C-N 3.28Å; G330-N332 PolarHBondContact O-N 2.88Å; N332-K335 PolarHBondContact O-N 3.06Å; N332-K335 PolarHBondContact OD1-NZ 3.09Å; N332-R336 WeakPolarHBondContact O-CB 3.42Å; N332-R336 PolarHBondContact O-N 3.32Å
333G98.7Very high98.7Very high8 Ų843.3 Ų43.38%0.08221%0.209CC..Hα-helixtrans-63.6-43.1172.100000112L329 G330 R336 Y337L329-G333 VanDerWaalsContact O-CA 3.23Å; L329-G333 WeakPolarHBondContact O-CA 3.02Å; L329-G333 PolarHBondContact O-N 3.25Å; L329-G333 VanDerWaalsContact O-N 3.15Å; G330-G333 PolarHBondContact O-N 2.86Å; G333-R336 WeakPolarHBondContact O-CB 3.28Å; G333-R336 PolarHBondContact O-N 3.47Å; G333-Y337 WeakPolarHBondContact O-CD2 3.28Å; G333-Y337 PolarHBondContact O-N 3.29Å
334Y98.8Very high98.7Very high4 Ų443.8 Ų43.82%0.01621%0.211CC..Hα-helixtrans-63.8-47.1176.2-168.8-111.8000112.2I125 N285 F286 L326 L329 G330 A331 R336 Y337 L338I125-Y334 HydrophobicContact CD1-CD1 4.05Å; I125-Y334 HydrophobicContact CD1-CG 4.41Å; I125-Y334 HydrophobicContact CG2-CD1 3.76Å; I125-Y334 HydrophobicContact CG2-CE1 3.42Å; I125-Y334 VanDerWaalsContact CG2-CE1 3.42Å; N285-Y334 WeakPolarHBondContact O-CE2 3.42Å; N285-Y334 PolarHBondContact O-OH 3.49Å; F286-Y334 AromaticContact CD1-CE2 3.93Å; F286-Y334 HydrophobicContact CD1-CE2 3.93Å; F286-Y334 HydrophobicContact CE1-CE2 4.17Å; F286-Y334 AromaticContact CE1-CZ 3.95Å; L326-Y334 HydrophobicContact CD2-CD2 4.44Å; L329-Y334 HydrophobicContact CD1-CD2 4.32Å; G330-Y334 PolarHBondContact O-N 3.41Å; A331-Y334 PolarHBondContact O-N 3.39Å; Y334-R336 PolarHBondContact O-N 3.46Å; Y334-Y337 PolarHBondContact O-N 3.38Å; Y334-Y337 VanDerWaalsContact O-N 3.17Å; Y334-L338 HydrophobicContact CD1-CD1 4.15Å; Y334-L338 HydrophobicContact CD1-CG 4.34Å; Y334-L338 HydrophobicContact CE1-CD1 3.9Å; Y334-L338 HydrophobicContact CE1-CD2 4.11Å; Y334-L338 HydrophobicContact CE1-CG 4.16Å; Y334-L338 WeakPolarHBondContact O-CG 3.14Å; Y334-L338 PolarHBondContact O-N 3.07Å; Y334-L338 VanDerWaalsContact O-N 3.1Å
335K98.8Very high98.7Very high84 Ų8443.9 Ų43.937%0.36521%0.209SC..Hα-helixtrans-56.3-38.5174.5-73.9168.5-167.91650112.1I128 A331 N332 L338 T339I128-K335 HydrophobicContact CG2-CD 4.47Å; I128-K335 HydrophobicContact CG2-CG 4.02Å; A331-K335 WeakPolarHBondContact O-CB 3.47Å; A331-K335 WeakPolarHBondContact O-CG 3.31Å; A331-K335 PolarHBondContact O-N 3.15Å; N332-K335 PolarHBondContact O-N 3.06Å; N332-K335 PolarHBondContact OD1-NZ 3.09Å; K335-L338 WeakPolarHBondContact O-CB 3.45Å; K335-L338 PolarHBondContact O-N 3.37Å; K335-T339 PolarHBondContact O-N 3.4Å; K335-T339 PolarHBondContact O-OG1 2.84Å
336R98.7Very high98.7Very high145 Ų14545.6 Ų45.655%0.54722%0.222SC..Hα-helixtrans-59.5-49.4176.7-167.3-174.8-53.3157.17.4111.2N332 G333 Y334 L338 T339 E340N332-R336 WeakPolarHBondContact O-CB 3.42Å; N332-R336 PolarHBondContact O-N 3.32Å; G333-R336 WeakPolarHBondContact O-CB 3.28Å; G333-R336 PolarHBondContact O-N 3.47Å; Y334-R336 PolarHBondContact O-N 3.46Å; R336-L338 VanDerWaalsContact C-N 3.27Å; R336-L338 PolarHBondContact O-N 2.88Å; R336-T339 WeakPolarHBondContact O-CB 3.41Å; R336-T339 PolarHBondContact O-N 3.13Å; R336-T339 VanDerWaalsContact O-N 3.09Å; R336-E340 HydrophobicContact CG-CG 4.49Å; R336-E340 WeakPolarHBondContact CG-OE1 3.4Å; R336-E340 WeakPolarHBondContact O-CG 3.36Å; R336-E340 PolarHBondContact O-N 3.44Å
337Y98.6Very high98.7Very high72 Ų7247.5 Ų47.528%0.28223%0.231SC..Hα-helixtrans-59.1-35.6174.6-84.6-65.9000113.3M287 L329 G333 Y334 R341 V440M287-Y337 HydrophobicContact CE-CE1 4.28Å; M287-Y337 HydrophobicContact SD-CD1 4.36Å; M287-Y337 HydrophobicContact SD-CE1 4.21Å; L329-Y337 HydrophobicContact CD1-CD2 4.35Å; L329-Y337 HydrophobicContact CD1-CE2 4.45Å; L329-Y337 HydrophobicContact CD2-CD2 4.15Å; L329-Y337 HydrophobicContact CD2-CE2 3.64Å; G333-Y337 WeakPolarHBondContact O-CD2 3.28Å; G333-Y337 PolarHBondContact O-N 3.29Å; Y334-Y337 PolarHBondContact O-N 3.38Å; Y334-Y337 VanDerWaalsContact O-N 3.17Å; Y337-R341 VanDerWaalsContact O-CB 3.29Å; Y337-R341 WeakPolarHBondContact O-CB 3.29Å; Y337-R341 PolarHBondContact O-N 3.39Å; Y337-V440 HydrophobicContact CG-CG2 4.4Å
338L98.6Very high98.7Very high22 Ų2247.7 Ų47.712%0.11523%0.232CC..Hα-helixtrans-67.3-38.1175-59.9-172.3000112.7Q258 Y334 K335 R336 K342Q258-L338 HydrophobicContact CB-CD2 4.07Å; Y334-L338 HydrophobicContact CD1-CD1 4.15Å; Y334-L338 HydrophobicContact CD1-CG 4.34Å; Y334-L338 HydrophobicContact CE1-CD1 3.9Å; Y334-L338 HydrophobicContact CE1-CD2 4.11Å; Y334-L338 HydrophobicContact CE1-CG 4.16Å; Y334-L338 WeakPolarHBondContact O-CG 3.14Å; Y334-L338 PolarHBondContact O-N 3.07Å; Y334-L338 VanDerWaalsContact O-N 3.1Å; K335-L338 WeakPolarHBondContact O-CB 3.45Å; K335-L338 PolarHBondContact O-N 3.37Å; R336-L338 VanDerWaalsContact C-N 3.27Å; R336-L338 PolarHBondContact O-N 2.88Å; L338-K342 PolarHBondContact O-N 2.9Å
339T98.5Very high98.7Very high71 Ų7145.4 Ų45.444%0.43622%0.219SC..Hα-helixtrans-68.8-51.3175.8-630000110.7K335 R336 R341 K342 E343K335-T339 PolarHBondContact O-N 3.4Å; K335-T339 PolarHBondContact O-OG1 2.84Å; R336-T339 WeakPolarHBondContact O-CB 3.41Å; R336-T339 PolarHBondContact O-N 3.13Å; R336-T339 VanDerWaalsContact O-N 3.09Å; T339-R341 VanDerWaalsContact C-N 3.27Å; T339-R341 PolarHBondContact O-N 3.07Å; T339-K342 WeakPolarHBondContact O-CA 3.16Å; T339-K342 WeakPolarHBondContact O-CB 3.42Å; T339-K342 PolarHBondContact O-N 2.94Å; T339-E343 PolarHBondContact O-N 2.99Å; T339-E343 VanDerWaalsContact O-N 3.09Å
340E98.6Very high98.7Very high76 Ų7648.8 Ų48.836%0.35523%0.234SC..Hα-helixtrans-55.2-43.6177.2-73.1174-171.500111.1R336 K342 E343 I344R336-E340 HydrophobicContact CG-CG 4.49Å; R336-E340 WeakPolarHBondContact CG-OE1 3.4Å; R336-E340 WeakPolarHBondContact O-CG 3.36Å; R336-E340 PolarHBondContact O-N 3.44Å; E340-K342 VanDerWaalsContact C-N 3.28Å; E340-K342 PolarHBondContact O-N 3.44Å; E340-E343 WeakPolarHBondContact O-CB 3.21Å; E340-E343 PolarHBondContact O-N 3.11Å; E340-E343 VanDerWaalsContact O-N 3.09Å; E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 2.91Å
341R98.6Very high98.6Very high9 Ų952 Ų523%0.03425%0.249CC..Hα-helixtrans-56.5-39.5174.9-170.1-143.465.373.72112.6Q258 Y337 T339 Y345 P370 S438Q258-R341 PolarHBondContact O-NE 3.18Å; Y337-R341 VanDerWaalsContact O-CB 3.29Å; Y337-R341 WeakPolarHBondContact O-CB 3.29Å; Y337-R341 PolarHBondContact O-N 3.39Å; T339-R341 VanDerWaalsContact C-N 3.27Å; T339-R341 PolarHBondContact O-N 3.07Å; R341-Y345 WeakPolarHBondContact O-CB 3.32Å; R341-Y345 PolarHBondContact O-N 3.37Å; R341-P370 PolarHBondContact NH1-O 2.99Å; R341-P370 PolarHBondContact NH2-O 2.81Å; R341-S438 WeakPolarHBondContact CD-O 3.47Å; R341-S438 VanDerWaalsContact CG-O 3.25Å; R341-S438 WeakPolarHBondContact CG-O 3.41Å; R341-S438 PolarHBondContact NH1-O 3.11Å; R341-S438 VanDerWaalsContact NH1-O 3.11Å; R341-S438 PolarHBondContact O-OG 3.03Å
342K98.4Very high98.6Very high93 Ų9351.8 Ų51.840%0.40425%0.247SC..Hα-helixtrans-68-38.6176.3-69.6172179.6178.10112.1S260 L338 T339 E340 Y345 S346S260-K342 WeakPolarHBondContact OG-CE 3.45Å; S260-K342 PolarHBondContact OG-NZ 2.66Å; L338-K342 PolarHBondContact O-N 2.9Å; T339-K342 WeakPolarHBondContact O-CA 3.16Å; T339-K342 WeakPolarHBondContact O-CB 3.42Å; T339-K342 PolarHBondContact O-N 2.94Å; E340-K342 VanDerWaalsContact C-N 3.28Å; E340-K342 PolarHBondContact O-N 3.44Å; K342-Y345 WeakPolarHBondContact O-CB 3.49Å; K342-Y345 PolarHBondContact O-N 2.91Å; K342-S346 PolarHBondContact O-N 2.78Å; K342-S346 PolarHBondContact O-OG 2.83Å; K342-S346 VanDerWaalsContact O-OG 3.08Å
343E98.6Very high98.6Very high103 Ų10354.8 Ų54.848%0.48126%0.258SS..Hα-helixtrans-65.2-47.2176-65.1174.7-172.500110.9T339 E340 Y345 S346 F347T339-E343 PolarHBondContact O-N 2.99Å; T339-E343 VanDerWaalsContact O-N 3.09Å; E340-E343 WeakPolarHBondContact O-CB 3.21Å; E340-E343 PolarHBondContact O-N 3.11Å; E340-E343 VanDerWaalsContact O-N 3.09Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 3.32Å; E343-S346 PolarHBondContact O-N 2.99Å; E343-F347 PolarHBondContact O-N 3.11Å
344I98.6Very high98.6Very high11 Ų1158.7 Ų58.76%0.05628%0.28CS..Hα-helixtrans-66.6-32.8177.1-56.7-59.5000111.6E340 S346 F347 L348 I442 R444 V447E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 2.91Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 3.3Å; I344-F347 PolarHBondContact O-N 3.46Å; I344-L348 WeakPolarHBondContact O-CB 3.36Å; I344-L348 PolarHBondContact O-N 3.43Å; I344-I442 HydrophobicContact CB-CG2 3.88Å; I344-I442 HydrophobicContact CG1-CG2 4.29Å; I344-I442 HydrophobicContact CG2-CB 4.47Å; I344-I442 HydrophobicContact CG2-CD1 4.1Å; I344-I442 HydrophobicContact CG2-CG1 4.11Å; I344-I442 HydrophobicContact CG2-CG2 3.61Å; I344-R444 HydrophobicContact CD1-CB 4.28Å; I344-R444 HydrophobicContact CD1-CG 3.32Å; I344-V447 HydrophobicContact CG2-CG2 3.66Å
345Y98.8Very high98.6Very high44 Ų4459.3 Ų59.317%0.17328%0.284CS..Hα-helixtrans-58-46.6172177-86.5000111.3R341 K342 E343 L348 A349 N369 P370 L373 S438R341-Y345 WeakPolarHBondContact O-CB 3.32Å; R341-Y345 PolarHBondContact O-N 3.37Å; K342-Y345 WeakPolarHBondContact O-CB 3.49Å; K342-Y345 PolarHBondContact O-N 2.91Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 3.32Å; Y345-L348 PolarHBondContact O-N 3.42Å; Y345-A349 WeakPolarHBondContact O-CB 2.94Å; Y345-A349 PolarHBondContact O-N 2.89Å; Y345-N369 PolarHBondContact OH-O 3.46Å; Y345-P370 WeakPolarHBondContact CD2-O 3.37Å; Y345-L373 HydrophobicContact CE1-CD2 4.47Å; Y345-L373 HydrophobicContact CE2-CD1 4.29Å; Y345-L373 HydrophobicContact CE2-CD2 3.89Å; Y345-L373 HydrophobicContact CE2-CG 3.87Å; Y345-L373 VanDerWaalsContact OH-CD2 3.22Å; Y345-L373 WeakPolarHBondContact OH-CD2 3.4Å; Y345-S438 VanDerWaalsContact CA-CB 3.48Å; Y345-S438 PolarHBondContact N-OG 2.86Å; Y345-S438 VanDerWaalsContact N-OG 3.13Å
346S98.6Very high98.6Very high69 Ų6955.3 Ų55.348%0.48327%0.267SS..Hα-helixtrans-65.9-43.4179.1-520000111.2K342 E343 I344 A349 E350K342-S346 PolarHBondContact O-N 2.78Å; K342-S346 PolarHBondContact O-OG 2.83Å; K342-S346 VanDerWaalsContact O-OG 3.08Å; E343-S346 PolarHBondContact O-N 2.99Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 3.3Å; S346-A349 PolarHBondContact O-N 3.33Å; S346-E350 PolarHBondContact O-N 2.72Å; S346-E350 VanDerWaalsContact O-N 3.11Å
347F98.8Very high98.5Very high42 Ų4252 Ų5218%0.18427%0.266CS..Hα-helixtrans-61.1-47175.2178.4-121.7000112.3E343 I344 A349 E350 E351 R444 V447E343-F347 PolarHBondContact O-N 3.11Å; I344-F347 PolarHBondContact O-N 3.46Å; F347-A349 VanDerWaalsContact C-N 3.32Å; F347-A349 PolarHBondContact O-N 3.34Å; F347-E350 PolarHBondContact O-N 2.92Å; F347-E351 HydrophobicContact CD2-CG 3.94Å; F347-E351 HydrophobicContact CE1-CG 4.26Å; F347-E351 HydrophobicContact CE2-CG 3.5Å; F347-E351 HydrophobicContact CG-CG 4.47Å; F347-E351 HydrophobicContact CZ-CG 3.68Å; F347-E351 WeakPolarHBondContact O-CB 3.36Å; F347-E351 VanDerWaalsContact O-CG 3.32Å; F347-E351 WeakPolarHBondContact O-CG 3.26Å; F347-E351 PolarHBondContact O-N 3Å; F347-R444 HydrophobicContact CD1-CG 4.24Å; F347-R444 HydrophobicContact CE1-CB 4.22Å; F347-R444 HydrophobicContact CE1-CG 4.3Å; F347-V447 HydrophobicContact CD1-CB 4.01Å; F347-V447 HydrophobicContact CD1-CG1 3.82Å; F347-V447 HydrophobicContact CD1-CG2 4.29Å; F347-V447 HydrophobicContact CE1-CB 3.8Å; F347-V447 HydrophobicContact CE1-CG1 3.65Å; F347-V447 HydrophobicContact CZ-CG1 4.45Å
348L98.8Very high98.5Very high4 Ų452.5 Ų52.52%0.02128%0.284CS..Hα-helixtrans-60.4-41176.3175.563.8000111.6I344 Y345 L352 L373 A436 V447 M451I344-L348 WeakPolarHBondContact O-CB 3.36Å; I344-L348 PolarHBondContact O-N 3.43Å; Y345-L348 PolarHBondContact O-N 3.42Å; L348-L352 WeakPolarHBondContact O-CB 3.4Å; L348-L352 PolarHBondContact O-N 3.25Å; L348-L373 HydrophobicContact CB-CD1 4.36Å; L348-L373 HydrophobicContact CD2-CD1 3.96Å; L348-L373 HydrophobicContact CG-CD1 3.85Å; L348-A436 HydrophobicContact CD1-CB 4.33Å; L348-A436 HydrophobicContact CD2-CB 4.22Å; L348-V447 HydrophobicContact CB-CG1 4.3Å; L348-V447 HydrophobicContact CB-CG2 4.15Å; L348-V447 HydrophobicContact CD1-CG1 3.88Å; L348-V447 HydrophobicContact CD1-CG2 4.2Å; L348-M451 HydrophobicContact CD1-CE 4.13Å
349A98.7Very high98.4Very high14 Ų1452.1 Ų52.112%0.11628%0.282CS..Hα-helixtrans-62.8-46.1178.600000112Y345 S346 F347 K353 L363 L373Y345-A349 WeakPolarHBondContact O-CB 2.94Å; Y345-A349 PolarHBondContact O-N 2.89Å; S346-A349 PolarHBondContact O-N 3.33Å; F347-A349 VanDerWaalsContact C-N 3.32Å; F347-A349 PolarHBondContact O-N 3.34Å; A349-K353 WeakPolarHBondContact O-CB 3.03Å; A349-K353 PolarHBondContact O-N 3.17Å; A349-L363 HydrophobicContact CB-CD2 4.36Å; A349-L373 HydrophobicContact CB-CD1 3.8Å; A349-L373 HydrophobicContact CB-CD2 4.35Å
350E98.7Very high98.2Very high107 Ų10752 Ų5250%0.530%0.295SS..Hα-helixtrans-66.7-44178.4-70.5-54.5134.100112.5S346 F347 K353 T354S346-E350 PolarHBondContact O-N 2.72Å; S346-E350 VanDerWaalsContact O-N 3.11Å; F347-E350 PolarHBondContact O-N 2.92Å; E350-K353 PolarHBondContact O-N 3.37Å; E350-T354 WeakPolarHBondContact O-CB 3.22Å; E350-T354 PolarHBondContact O-N 2.8Å; E350-T354 PolarHBondContact O-OG1 2.71Å
351E98.7Very high98.2Very high69 Ų6949 Ų4932%0.32228%0.281SS..Hα-helixtrans-63.2-45.3177-73.7-66.4122.300111.7F347 K353 T354 L355 V447 M451F347-E351 HydrophobicContact CD2-CG 3.94Å; F347-E351 HydrophobicContact CE1-CG 4.26Å; F347-E351 HydrophobicContact CE2-CG 3.5Å; F347-E351 HydrophobicContact CG-CG 4.47Å; F347-E351 HydrophobicContact CZ-CG 3.68Å; F347-E351 WeakPolarHBondContact O-CB 3.36Å; F347-E351 VanDerWaalsContact O-CG 3.32Å; F347-E351 WeakPolarHBondContact O-CG 3.26Å; F347-E351 PolarHBondContact O-N 3Å; E351-K353 PolarHBondContact O-N 3.25Å; E351-T354 PolarHBondContact O-N 3.35Å; E351-L355 WeakPolarHBondContact O-CB 3.17Å; E351-L355 PolarHBondContact O-N 3.4Å; E351-V447 HydrophobicContact CB-CG1 4.25Å; E351-V447 HydrophobicContact CG-CG1 4.23Å; E351-M451 HydrophobicContact CB-CG 3.91Å; E351-M451 HydrophobicContact CB-SD 4.21Å
352L98.5Very high98.1Very high0 Ų053.8 Ų53.80%030%0.299CS..Hα-helixtrans-66.9-37.6179-171.361.9000111.6L348 A356 L363 L373 M375 A436 M451 L454L348-L352 WeakPolarHBondContact O-CB 3.4Å; L348-L352 PolarHBondContact O-N 3.25Å; L352-A356 WeakPolarHBondContact O-CB 3.44Å; L352-A356 PolarHBondContact O-N 2.83Å; L352-L363 HydrophobicContact CB-CD1 4.35Å; L352-L363 HydrophobicContact CD2-CD1 3.67Å; L352-L363 HydrophobicContact CG-CD1 3.98Å; L352-L373 HydrophobicContact CD2-CB 4.14Å; L352-M375 HydrophobicContact CD1-CB 4.25Å; L352-M375 HydrophobicContact CD1-CG 4.13Å; L352-M375 HydrophobicContact CD1-SD 3.49Å; L352-M375 WeakPolarHBondContact CD1-SD 3.44Å; L352-M375 HydrophobicContact CD2-CB 4.38Å; L352-M375 HydrophobicContact CG-CB 4.18Å; L352-M375 HydrophobicContact CG-SD 4.42Å; L352-A436 HydrophobicContact CD2-CB 4.46Å; L352-M451 HydrophobicContact CB-SD 4.38Å; L352-M451 HydrophobicContact CD1-CE 4.07Å; L352-M451 HydrophobicContact CD1-SD 4.14Å; L352-L454 HydrophobicContact CD1-CD2 4.2Å
353K98.6Very high98.2Very high104 Ų10451.2 Ų51.245%0.45229%0.29SS..Hα-helixtrans-64.7-43.6174.6-178.1-176.8178.4-172.50112A349 E350 E351 A356 S357 L363A349-K353 WeakPolarHBondContact O-CB 3.03Å; A349-K353 PolarHBondContact O-N 3.17Å; E350-K353 PolarHBondContact O-N 3.37Å; E351-K353 PolarHBondContact O-N 3.25Å; K353-A356 PolarHBondContact O-N 3.38Å; K353-S357 WeakPolarHBondContact O-CB 3.39Å; K353-S357 PolarHBondContact O-N 3.24Å; K353-S357 PolarHBondContact O-OG 3.26Å; K353-L363 HydrophobicContact CB-CB 4.18Å; K353-L363 HydrophobicContact CB-CD2 4.22Å; K353-L363 HydrophobicContact CG-CB 4.41Å
354T98.6Very high98.2Very high89 Ų8946.4 Ų46.455%0.54627%0.267SS..Hα-helixtrans-62.5-48.4177.2-610000110.6E350 E351 S357 A358E350-T354 WeakPolarHBondContact O-CB 3.22Å; E350-T354 PolarHBondContact O-N 2.8Å; E350-T354 PolarHBondContact O-OG1 2.71Å; E351-T354 PolarHBondContact O-N 3.35Å; T354-S357 PolarHBondContact O-N 2.97Å; T354-A358 WeakPolarHBondContact O-CB 3.1Å; T354-A358 PolarHBondContact O-N 2.74Å
355L98.4Very high98.2Very high18 Ų1852.2 Ų52.29%0.09429%0.294CS..Hα-helixtrans-64.2-42.6177.5-178.7137.5000112.2E351 S357 A358 H359 M375 M451 L454 D455 L458E351-L355 WeakPolarHBondContact O-CB 3.17Å; E351-L355 PolarHBondContact O-N 3.4Å; L355-S357 PolarHBondContact O-N 3.22Å; L355-A358 PolarHBondContact O-N 2.67Å; L355-H359 PolarHBondContact O-CD2 2.92Å; L355-H359 VanDerWaalsContact O-CD2 3.25Å; L355-H359 PolarHBondContact O-N 3.36Å; L355-M375 HydrophobicContact CD2-CE 3.98Å; L355-M375 HydrophobicContact CD2-SD 4.19Å; L355-M451 HydrophobicContact CB-SD 4.4Å; L355-M451 HydrophobicContact CD1-CB 4.19Å; L355-M451 VanDerWaalsContact CD1-O 3.3Å; L355-M451 WeakPolarHBondContact CD1-O 3.06Å; L355-M451 HydrophobicContact CD1-SD 4.26Å; L355-L454 HydrophobicContact CD1-CB 4.49Å; L355-L454 HydrophobicContact CD2-CD2 3.62Å; L355-L454 HydrophobicContact CD2-CG 3.83Å; L355-D455 HydrophobicContact CD1-CB 3.79Å; L355-L458 HydrophobicContact CD2-CD1 3.92Å
356A98.1Very high98.2Very high0 Ų050.4 Ų50.40%029%0.287CS..Hα-helixtrans-57.3-50.8175.100000110.7L352 K353 A358 H359 G360 E361 M375L352-A356 WeakPolarHBondContact O-CB 3.44Å; L352-A356 PolarHBondContact O-N 2.83Å; K353-A356 PolarHBondContact O-N 3.38Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A356-A358 PolarHBondContact O-N 3.38Å; A356-H359 CarbonylContact O-C 3.58Å; A356-H359 WeakPolarHBondContact O-CA 3.34Å; A356-H359 PolarHBondContact O-N 2.89Å; A356-G360 PolarHBondContact O-N 2.81Å; A356-G360 VanDerWaalsContact O-N 3.16Å; A356-E361 CarbonylContact C-O 3.59Å; A356-E361 HydrophobicContact CB-CB 4.03Å; A356-E361 CarbonylContact O-C 3.45Å; A356-E361 WeakPolarHBondContact O-CA 3.15Å; A356-E361 WeakPolarHBondContact O-CB 3.5Å; A356-E361 PolarHBondContact O-N 2.88Å; A356-E361 VanDerWaalsContact O-O 3.1Å; A356-M375 HydrophobicContact CB-CB 4.36Å; A356-M375 HydrophobicContact CB-CE 3.92Å
357S97.9Very high98.1Very high76 Ų7649.7 Ų49.753%0.53128%0.281SS..Hα-helixtrans-60.2-42.4-179.4-54.30000112.1K353 T354 L355 H359 G360 E361K353-S357 WeakPolarHBondContact O-CB 3.39Å; K353-S357 PolarHBondContact O-N 3.24Å; K353-S357 PolarHBondContact O-OG 3.26Å; T354-S357 PolarHBondContact O-N 2.97Å; L355-S357 PolarHBondContact O-N 3.22Å; S357-H359 PolarHBondContact O-N 3.43Å; S357-H359 VanDerWaalsContact O-N 3.14Å; S357-G360 PolarHBondContact O-N 3.17Å; S357-E361 PolarHBondContact N-O 2.73Å
358A97.3Very high98.1Very high81 Ų8151.9 Ų51.967%0.66929%0.292SS*.Hα-helixtrans-61.7-21.2175.500000113.3T354 L355 A356T354-A358 WeakPolarHBondContact O-CB 3.1Å; T354-A358 PolarHBondContact O-N 2.74Å; L355-A358 PolarHBondContact O-N 2.67Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A356-A358 PolarHBondContact O-N 3.38Å
359H95.8Very high98.1Very high14 Ų1451.8 Ų51.87%0.06529%0.291CS..THydrogen-bonded Turntrans-102.77.1176.8-76.9-97.5000114.2L355 A356 S357 E361 D455 L458 K462L355-H359 PolarHBondContact O-CD2 2.92Å; L355-H359 VanDerWaalsContact O-CD2 3.25Å; L355-H359 PolarHBondContact O-N 3.36Å; A356-H359 CarbonylContact O-C 3.58Å; A356-H359 WeakPolarHBondContact O-CA 3.34Å; A356-H359 PolarHBondContact O-N 2.89Å; S357-H359 PolarHBondContact O-N 3.43Å; S357-H359 VanDerWaalsContact O-N 3.14Å; H359-E361 HydrophobicContact CB-CG 4.38Å; H359-E361 PolarHBondContact O-N 3.3Å; H359-D455 IonicContact CE1-OD1 3.12Å; H359-D455 IonicContact NE2-OD1 2.68Å; H359-D455 PolarHBondContact NE2-OD1 2.96Å; H359-D455 VanDerWaalsContact NE2-OD1 3.1Å; H359-L458 HydrophobicContact CB-CD1 4.39Å; H359-L458 WeakPolarHBondContact CE1-CB 3.41Å; H359-L458 WeakPolarHBondContact ND1-CB 3.36Å; H359-K462 PolarHBondContact O-NZ 3.44Å
360G95.4Very high98.1Very high68 Ų6851.6 Ų51.670%0.70129%0.288SS*.THydrogen-bonded Turntrans70.320-176.600000113.3A356 S357A356-G360 PolarHBondContact O-N 2.81Å; A356-G360 VanDerWaalsContact O-N 3.16Å; S357-G360 PolarHBondContact O-N 3.17Å
361E97.5Very high98.1Very high15 Ų1546.6 Ų46.67%0.0727%0.265CS..  trans-106.8174.3174.8-59.6-64.7172.500109.4A356 S357 H359 M375 S376 L377 D378 G379 L380A356-E361 CarbonylContact C-O 3.59Å; A356-E361 HydrophobicContact CB-CB 4.03Å; A356-E361 CarbonylContact O-C 3.45Å; A356-E361 WeakPolarHBondContact O-CA 3.15Å; A356-E361 WeakPolarHBondContact O-CB 3.5Å; A356-E361 PolarHBondContact O-N 2.88Å; A356-E361 VanDerWaalsContact O-O 3.1Å; S357-E361 PolarHBondContact N-O 2.73Å; H359-E361 HydrophobicContact CB-CG 4.38Å; H359-E361 PolarHBondContact O-N 3.3Å; E361-M375 HydrophobicContact CB-CE 4.23Å; E361-M375 HydrophobicContact CG-CE 4.45Å; E361-S376 WeakPolarHBondContact CB-OG 3.42Å; E361-S376 WeakPolarHBondContact CG-O 3.35Å; E361-S376 WeakPolarHBondContact OE2-CB 3.37Å; E361-S376 PolarHBondContact OE2-OG 2.87Å; E361-L377 WeakPolarHBondContact OE1-CA 3.2Å; E361-L377 WeakPolarHBondContact OE2-CA 3.28Å; E361-L377 PolarHBondContact OE2-N 3.31Å; E361-D378 PolarHBondContact OE1-N 3.27Å; E361-D378 PolarHBondContact OE2-N 3Å; E361-G379 WeakPolarHBondContact OE1-CA 3.43Å; E361-G379 PolarHBondContact OE1-N 3.07Å; E361-L380 PolarHBondContact OE1-N 3.04Å
362R98.3Very high98.2Very high108 Ų10843.4 Ų43.441%0.40825%0.25SS..  trans-130.8154.1176.367-173.6-175.787.9-2.1111.9D196 M375 S376D196-R362 VanDerWaalsContact CG-NH1 3.31Å; D196-R362 IonicContact OD1-CZ 3.66Å; D196-R362 IonicContact OD1-NH1 2.66Å; D196-R362 PolarHBondContact OD1-NH1 2.77Å; D196-R362 IonicContact OD1-NH2 3.45Å; D196-R362 PolarHBondContact OD1-NH2 3.41Å; D196-R362 IonicContact OD2-CZ 2.73Å; D196-R362 IonicContact OD2-NH1 3.42Å; D196-R362 PolarHBondContact OD2-NH1 2.69Å; D196-R362 IonicContact OD2-NH2 3.07Å; R362-M375 CarbonylContact O-C 3.4Å; R362-M375 WeakPolarHBondContact O-CA 3.18Å; R362-S376 PolarHBondContact N-OG 3.03Å; R362-S376 PolarHBondContact O-N 3.17Å; R362-S376 PolarHBondContact O-OG 3.22Å
363L98.8Very high98.2Very high40 Ų4043.6 Ų43.621%0.20925%0.251CS..BIsolated β-bridgetrans-75128.3163.5-173.272.6000108.4A349 L352 K353 L373 A374A349-L363 HydrophobicContact CB-CD2 4.36Å; L352-L363 HydrophobicContact CB-CD1 4.35Å; L352-L363 HydrophobicContact CD2-CD1 3.67Å; L352-L363 HydrophobicContact CG-CD1 3.98Å; K353-L363 HydrophobicContact CB-CB 4.18Å; K353-L363 HydrophobicContact CB-CD2 4.22Å; K353-L363 HydrophobicContact CG-CB 4.41Å; L363-L373 HydrophobicContact CD1-CB 4.36Å; L363-A374 WeakPolarHBondContact CD1-O 3.08Å
364L98.8Very high98.2Very high2 Ų238.6 Ų38.61%0.0123%0.23CC..  trans-67.5134.3175-61.7-173.4000110.2D196 P229 T366 A374 Y429 Y433D196-L364 HydrophobicContact CB-CB 4.18Å; P229-L364 HydrophobicContact CB-CD1 4.46Å; L364-T366 HydrophobicContact CB-CG2 4.27Å; L364-T366 PolarHBondContact O-N 2.73Å; L364-T366 PolarHBondContact O-OG1 2.83Å; L364-A374 HydrophobicContact CB-CB 4.21Å; L364-A374 WeakPolarHBondContact CB-O 3.43Å; L364-A374 HydrophobicContact CD1-CB 3.69Å; L364-A374 HydrophobicContact CG-CB 4.13Å; L364-A374 PolarHBondContact N-O 2.91Å; L364-Y429 HydrophobicContact CD1-CE1 4.1Å; L364-Y429 WeakPolarHBondContact CD1-OH 3.38Å; L364-Y433 HydrophobicContact CD1-CG 4.39Å
365H98.6Very high98.2Very high133 Ų13334.4 Ų34.462%0.61620%0.204SC*.  trans-79.890.8-177.2-171.967.2000111.1D196 P367D196-H365 PolarHBondContact OD2-N 3.17Å; H365-P367 WeakPolarHBondContact O-CD 3.47Å
366T98.6Very high98.2Very high5 Ų533.6 Ų33.63%0.03120%0.2CC..  trans-122.554.6-173.449.50000112.6E197 A228 P229 L364 H368 N369E197-T366 HydrophobicContact CG-CG2 4Å; E197-T366 VanDerWaalsContact OE1-CA 3.28Å; E197-T366 WeakPolarHBondContact OE1-CA 3.36Å; A228-T366 HydrophobicContact CB-CG2 4.42Å; P229-T366 HydrophobicContact CB-CG2 4.19Å; L364-T366 HydrophobicContact CB-CG2 4.27Å; L364-T366 PolarHBondContact O-N 2.73Å; L364-T366 PolarHBondContact O-OG1 2.83Å; T366-H368 PolarHBondContact O-N 2.78Å; T366-H368 VanDerWaalsContact O-N 3.1Å; T366-N369 PolarHBondContact O-N 2.96Å
367P98.4Very high98.1Very high54 Ų5433.6 Ų33.635%0.35120%0.2SC..THydrogen-bonded Turntrans-60.2-22.5-171.527.9-38.7000115E197 K261 H365E197-P367 WeakPolarHBondContact OE1-CD 3.32Å; K261-P367 PolarHBondContact NZ-O 2.98Å; H365-P367 WeakPolarHBondContact O-CD 3.47Å
368H98.7Very high97.8Very high89 Ų8933.2 Ų33.241%0.41219%0.192SC..THydrogen-bonded Turntrans-82.9-11.1178.4-57.7101000113.1E197 V231 P232 T366 P370E197-H368 VanDerWaalsContact CD-ND1 3.29Å; E197-H368 WeakPolarHBondContact OE1-CB 3.45Å; E197-H368 IonicContact OE1-CG 3.12Å; E197-H368 PolarHBondContact OE1-N 3.27Å; E197-H368 IonicContact OE1-ND1 3.74Å; E197-H368 PolarHBondContact OE1-ND1 3.36Å; E197-H368 VanDerWaalsContact OE1-ND1 3.12Å; E197-H368 IonicContact OE2-CE1 2.71Å; E197-H368 IonicContact OE2-CG 2.87Å; E197-H368 IonicContact OE2-ND1 3.49Å; E197-H368 PolarHBondContact OE2-ND1 2.92Å; V231-H368 HydrophobicContact CB-CB 3.86Å; V231-H368 HydrophobicContact CG1-CB 3.88Å; V231-H368 HydrophobicContact CG2-CB 4.19Å; P232-H368 WeakPolarHBondContact CD-O 3.44Å; T366-H368 PolarHBondContact O-N 2.78Å; T366-H368 VanDerWaalsContact O-N 3.1Å; H368-P370 VanDerWaalsContact O-CD 3.29Å; H368-P370 WeakPolarHBondContact O-CD 3.31Å
369N98.8Very high97.3Very high2 Ų231.1 Ų31.11%0.01118%0.179CC..  trans-90.5112171-161.9-43.8000110.9C226 A228 R230 V231 Y345 T366 I371 S372C226-N369 PolarHBondContact O-ND2 3.5Å; A228-N369 PolarHBondContact N-ND2 3.4Å; R230-N369 PolarHBondContact O-ND2 2.83Å; V231-N369 HydrophobicContact CG1-CB 4.17Å; Y345-N369 PolarHBondContact OH-O 3.46Å; T366-N369 PolarHBondContact O-N 2.96Å; N369-I371 PolarHBondContact OD1-N 2.94Å; N369-I371 VanDerWaalsContact OD1-N 3.13Å; N369-S372 PolarHBondContact OD1-N 2.87Å; N369-S372 PolarHBondContact OD1-O 3.31Å
370P98.6Very high96.8Very high9 Ų930.6 Ų30.66%0.05818%0.176CC..SBendtrans-87.7-0.5-17531.7-32.1000115.1S259 K261 R341 Y345 H368S259-P370 WeakPolarHBondContact OG-CB 3.43Å; S259-P370 WeakPolarHBondContact OG-CG 3.42Å; K261-P370 HydrophobicContact CB-CB 4.18Å; K261-P370 HydrophobicContact CB-CG 4.14Å; K261-P370 HydrophobicContact CD-CB 4.1Å; K261-P370 HydrophobicContact CG-CB 4.34Å; R341-P370 PolarHBondContact NH1-O 2.99Å; R341-P370 PolarHBondContact NH2-O 2.81Å; Y345-P370 WeakPolarHBondContact CD2-O 3.37Å; H368-P370 VanDerWaalsContact O-CD 3.29Å; H368-P370 WeakPolarHBondContact O-CD 3.31Å
371I98.8Very high96.4Very high3 Ų329.7 Ų29.72%0.01515%0.154CC..SBendtrans-128.2-50-169.6-63168.5000111Y255 Q258 N369 A437 S438Y255-I371 HydrophobicContact CD2-CD1 3.97Å; Y255-I371 HydrophobicContact CD2-CG2 4.34Å; Y255-I371 HydrophobicContact CE2-CD1 4.36Å; Y255-I371 HydrophobicContact CE2-CG2 4.3Å; Y255-I371 VanDerWaalsContact O-CD1 3.32Å; Y255-I371 WeakPolarHBondContact O-CD1 3.26Å; Q258-I371 HydrophobicContact CG-CD1 4.18Å; N369-I371 PolarHBondContact OD1-N 2.94Å; N369-I371 VanDerWaalsContact OD1-N 3.13Å; I371-A437 HydrophobicContact CG2-CB 4.3Å; I371-A437 CarbonylContact O-C 3.54Å; I371-A437 VanDerWaalsContact O-CA 3.29Å; I371-A437 WeakPolarHBondContact O-CA 3.13Å; I371-S438 PolarHBondContact O-N 2.91Å
372S98.9Very high95.5Very high1 Ų133.5 Ų33.51%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-100.8142.2-174.7-1710000111A228 N369A228-S372 PolarHBondContact N-OG 3.17Å; N369-S372 PolarHBondContact OD1-N 2.87Å; N369-S372 PolarHBondContact OD1-O 3.31Å
373L98.8Very high94.4Very high4 Ų431.1 Ų31.12%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-120.5163.4174.3-66.1166.9000109.6Y345 L348 A349 L352 L363 N435 A436Y345-L373 HydrophobicContact CE1-CD2 4.47Å; Y345-L373 HydrophobicContact CE2-CD1 4.29Å; Y345-L373 HydrophobicContact CE2-CD2 3.89Å; Y345-L373 HydrophobicContact CE2-CG 3.87Å; Y345-L373 VanDerWaalsContact OH-CD2 3.22Å; Y345-L373 WeakPolarHBondContact OH-CD2 3.4Å; L348-L373 HydrophobicContact CB-CD1 4.36Å; L348-L373 HydrophobicContact CD2-CD1 3.96Å; L348-L373 HydrophobicContact CG-CD1 3.85Å; A349-L373 HydrophobicContact CB-CD1 3.8Å; A349-L373 HydrophobicContact CB-CD2 4.35Å; L352-L373 HydrophobicContact CD2-CB 4.14Å; L363-L373 HydrophobicContact CD1-CB 4.36Å; L373-N435 VanDerWaalsContact O-CA 3.31Å; L373-N435 WeakPolarHBondContact O-CA 3.26Å; L373-N435 PolarHBondContact O-ND2 3.41Å; L373-A436 PolarHBondContact N-O 3.15Å; L373-A436 PolarHBondContact O-N 2.91Å
374A98.8Very high93.4Very high0 Ų031.6 Ų31.60%019%0.194CC..EExtended strand (participates in β ladder)trans-142.5135175.800000110.9A228 L363 L364 Y433 L434 N435A228-A374 HydrophobicContact CB-CB 3.97Å; L363-A374 WeakPolarHBondContact CD1-O 3.08Å; L364-A374 HydrophobicContact CB-CB 4.21Å; L364-A374 WeakPolarHBondContact CB-O 3.43Å; L364-A374 HydrophobicContact CD1-CB 3.69Å; L364-A374 HydrophobicContact CG-CB 4.13Å; L364-A374 PolarHBondContact N-O 2.91Å; A374-Y433 HydrophobicContact CB-CD2 3.96Å; A374-Y433 HydrophobicContact CB-CG 4.45Å; A374-L434 CarbonylContact C-O 3.12Å; A374-L434 VanDerWaalsContact CA-O 3.26Å; A374-L434 WeakPolarHBondContact CA-O 3.49Å; A374-N435 WeakPolarHBondContact CB-ND2 3.05Å
375M98.4Very high92.1Very high0 Ų037.2 Ų37.20%022%0.224CC..EExtended strand (participates in β ladder)trans-109.2141.6169.467.8176.3-64.400110L352 L355 A356 E361 R362 Y433 L434 L454 L458L352-M375 HydrophobicContact CD1-CB 4.25Å; L352-M375 HydrophobicContact CD1-CG 4.13Å; L352-M375 HydrophobicContact CD1-SD 3.49Å; L352-M375 WeakPolarHBondContact CD1-SD 3.44Å; L352-M375 HydrophobicContact CD2-CB 4.38Å; L352-M375 HydrophobicContact CG-CB 4.18Å; L352-M375 HydrophobicContact CG-SD 4.42Å; L355-M375 HydrophobicContact CD2-CE 3.98Å; L355-M375 HydrophobicContact CD2-SD 4.19Å; A356-M375 HydrophobicContact CB-CB 4.36Å; A356-M375 HydrophobicContact CB-CE 3.92Å; E361-M375 HydrophobicContact CB-CE 4.23Å; E361-M375 HydrophobicContact CG-CE 4.45Å; R362-M375 CarbonylContact O-C 3.4Å; R362-M375 WeakPolarHBondContact O-CA 3.18Å; M375-Y433 CarbonylContact O-C 3.44Å; M375-Y433 WeakPolarHBondContact O-CA 3.31Å; M375-Y433 WeakPolarHBondContact O-CB 3.38Å; M375-L434 HydrophobicContact CG-CB 3.84Å; M375-L434 HydrophobicContact CG-CD2 4.22Å; M375-L434 PolarHBondContact N-O 3.37Å; M375-L434 PolarHBondContact O-N 3.06Å; M375-L434 HydrophobicContact SD-CB 4.41Å; M375-L434 HydrophobicContact SD-CD2 4.25Å; M375-L454 HydrophobicContact SD-CD2 3.79Å; M375-L458 HydrophobicContact CE-CD1 4.36Å
376S98.2Very high91.4Very high2 Ų238 Ų381%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-62.8157.8174.1670000111.7E361 R362 D378E361-S376 WeakPolarHBondContact CB-OG 3.42Å; E361-S376 WeakPolarHBondContact CG-O 3.35Å; E361-S376 WeakPolarHBondContact OE2-CB 3.37Å; E361-S376 PolarHBondContact OE2-OG 2.87Å; R362-S376 PolarHBondContact N-OG 3.03Å; R362-S376 PolarHBondContact O-N 3.17Å; R362-S376 PolarHBondContact O-OG 3.22Å; S376-D378 WeakPolarHBondContact CB-OD2 3.4Å
377L96.8Very high90.8Very high0 Ų038.1 Ų38.10%023%0.23CC..  trans-132.631.4172.5-64.3175.8000110.8E361 L380 Q381 V388 L391 V405 P432 L434 L458E361-L377 WeakPolarHBondContact OE1-CA 3.2Å; E361-L377 WeakPolarHBondContact OE2-CA 3.28Å; E361-L377 PolarHBondContact OE2-N 3.31Å; L377-L380 HydrophobicContact CB-CB 4.29Å; L377-L380 HydrophobicContact CD2-CD2 4.24Å; L377-L380 PolarHBondContact O-N 2.84Å; L377-Q381 PolarHBondContact O-N 3.49Å; L377-V388 HydrophobicContact CD1-CG1 4.18Å; L377-L391 HydrophobicContact CD1-CD2 4.03Å; L377-L391 HydrophobicContact CD2-CD2 3.83Å; L377-V405 HydrophobicContact CD1-CG1 3.68Å; L377-P432 HydrophobicContact CB-CB 4.3Å; L377-P432 HydrophobicContact CB-CG 4.12Å; L377-P432 PolarHBondContact N-O 3.1Å; L377-L434 HydrophobicContact CD1-CB 4.13Å; L377-L434 HydrophobicContact CG-CB 4.45Å; L377-L458 HydrophobicContact CD2-CD2 4.37Å
378D92.2Very high90.3Very high67 Ų6735.7 Ų35.736%0.35821%0.214SC..Hα-helixtrans-61.2-48-175.8-71.8-63.7000111.2E361 S376 L380 Q381 A382 C431E361-D378 PolarHBondContact OE1-N 3.27Å; E361-D378 PolarHBondContact OE2-N 3Å; S376-D378 WeakPolarHBondContact CB-OD2 3.4Å; D378-L380 VanDerWaalsContact C-N 3.27Å; D378-L380 PolarHBondContact O-N 2.75Å; D378-Q381 PolarHBondContact O-N 3.49Å; D378-A382 WeakPolarHBondContact O-CB 3.4Å; D378-A382 PolarHBondContact O-N 2.66Å; D378-C431 WeakPolarHBondContact OD1-CB 3.29Å
379G87Confident89.9Confident38 Ų3835.4 Ų35.439%0.39222%0.218SC..Hα-helixtrans-65.8-33.2178.600000112.2E361 S383E361-G379 WeakPolarHBondContact OE1-CA 3.43Å; E361-G379 PolarHBondContact OE1-N 3.07Å; G379-S383 PolarHBondContact O-N 3.45Å; G379-S383 PolarHBondContact O-OG 3.26Å
380L85.6Confident89.7Confident3 Ų339.9 Ų39.92%0.01624%0.239CC..Hα-helixtrans-69.1-42.3174.1-170.264.7000111.9E361 L377 D378 S383 S384 A387 V388 L391 L458 L461E361-L380 PolarHBondContact OE1-N 3.04Å; L377-L380 HydrophobicContact CB-CB 4.29Å; L377-L380 HydrophobicContact CD2-CD2 4.24Å; L377-L380 PolarHBondContact O-N 2.84Å; D378-L380 VanDerWaalsContact C-N 3.27Å; D378-L380 PolarHBondContact O-N 2.75Å; L380-S383 PolarHBondContact O-N 2.89Å; L380-S383 PolarHBondContact O-OG 3.26Å; L380-S384 PolarHBondContact O-N 2.96Å; L380-A387 HydrophobicContact CD1-CB 3.83Å; L380-A387 HydrophobicContact CG-CB 3.94Å; L380-V388 HydrophobicContact CD2-CG2 4.45Å; L380-V388 HydrophobicContact CG-CG2 4.46Å; L380-L391 HydrophobicContact CD2-CB 4.15Å; L380-L391 HydrophobicContact CD2-CD2 3.85Å; L380-L458 HydrophobicContact CD2-CD2 4.28Å; L380-L461 HydrophobicContact CD1-CB 3.84Å; L380-L461 HydrophobicContact CD1-CD1 4.08Å; L380-L461 HydrophobicContact CD2-CD1 4.18Å
381Q85.8Confident89.5Confident49 Ų4939.4 Ų39.423%0.22924%0.236CC..Hα-helixtrans-65.5-43.7177.1-173.1-178.111.800111.9L377 D378 S383 S384 N385 V388 P432L377-Q381 PolarHBondContact O-N 3.49Å; D378-Q381 PolarHBondContact O-N 3.49Å; Q381-S383 PolarHBondContact O-N 2.75Å; Q381-S383 VanDerWaalsContact O-N 3.12Å; Q381-S384 CarbonylContact O-C 3.32Å; Q381-S384 PolarHBondContact O-N 3.31Å; Q381-S384 VanDerWaalsContact O-N 3.13Å; Q381-N385 WeakPolarHBondContact CG-OD1 3.43Å; Q381-N385 PolarHBondContact NE2-OD1 2.81Å; Q381-V388 HydrophobicContact CB-CG2 3.97Å; Q381-P432 HydrophobicContact CB-CG 3.81Å; Q381-P432 HydrophobicContact CG-CG 4.34Å; Q381-P432 VanDerWaalsContact OE1-CG 3.23Å
382A79.7Confident89.3Confident94 Ų9440.5 Ų40.578%0.77725%0.248SC*.Hα-helixtrans-57.9-26.7178.200000112.7D378D378-A382 WeakPolarHBondContact O-CB 3.4Å; D378-A382 PolarHBondContact O-N 2.66Å
383S74.5Confident89.1Confident59 Ų5943.6 Ų43.641%0.41327%0.269SS..Hα-helixtrans-86.8-32.1176.951.10000114G379 L380 Q381G379-S383 PolarHBondContact O-N 3.45Å; G379-S383 PolarHBondContact O-OG 3.26Å; L380-S383 PolarHBondContact O-N 2.89Å; L380-S383 PolarHBondContact O-OG 3.26Å; Q381-S383 PolarHBondContact O-N 2.75Å; Q381-S383 VanDerWaalsContact O-N 3.12Å
384S77.1Confident89.1Confident49 Ų4944.4 Ų44.434%0.34327%0.274SS..  trans-170.1131.3168.3168.50000111.3L380 Q381 Q386 A387L380-S384 PolarHBondContact O-N 2.96Å; Q381-S384 CarbonylContact O-C 3.32Å; Q381-S384 PolarHBondContact O-N 3.31Å; Q381-S384 VanDerWaalsContact O-N 3.13Å; S384-Q386 PolarHBondContact O-N 3.5Å; S384-Q386 PolarHBondContact OG-N 2.88Å; S384-A387 VanDerWaalsContact O-CB 3.3Å; S384-A387 WeakPolarHBondContact O-CB 3.06Å; S384-A387 PolarHBondContact O-N 2.87Å
385N71.7Confident89Confident121 Ų12144.6 Ų44.665%0.64728%0.275SS*.Hα-helixtrans-59.1-31.1174.3-80.4-26.3000113Q381 A387Q381-N385 WeakPolarHBondContact CG-OD1 3.43Å; Q381-N385 PolarHBondContact NE2-OD1 2.81Å; N385-A387 VanDerWaalsContact C-N 3.34Å
386Q83.1Confident89Confident150 Ų15052 Ų5270%0.70131%0.307SS*.Hα-helixtrans-75.8-23.4177.7-67.7-178.5-3.800112.6S384 V388 T389 Q390S384-Q386 PolarHBondContact O-N 3.5Å; S384-Q386 PolarHBondContact OG-N 2.88Å; Q386-V388 VanDerWaalsContact C-N 3.31Å; Q386-V388 PolarHBondContact O-N 3.2Å; Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.42Å; Q386-Q390 WeakPolarHBondContact O-CB 3.46Å; Q386-Q390 PolarHBondContact O-N 2.69Å
387A86.8Confident88.9Confident7 Ų756.7 Ų56.76%0.05834%0.335CS..Hα-helixtrans-65.5-33.9-17600000112.5L380 S384 N385 Q390 L391 L461L380-A387 HydrophobicContact CD1-CB 3.83Å; L380-A387 HydrophobicContact CG-CB 3.94Å; S384-A387 VanDerWaalsContact O-CB 3.3Å; S384-A387 WeakPolarHBondContact O-CB 3.06Å; S384-A387 PolarHBondContact O-N 2.87Å; N385-A387 VanDerWaalsContact C-N 3.34Å; A387-Q390 PolarHBondContact O-N 2.78Å; A387-L391 PolarHBondContact O-N 2.93Å; A387-L461 HydrophobicContact CB-CD2 4.37Å
388V89.2Confident89Confident3 Ų361.2 Ų61.22%0.01835%0.353CS..Hα-helixtrans-61.7-51.4175.6176.70000110.1L377 L380 Q381 Q386 Q390 L391 V405 P407 P432L377-V388 HydrophobicContact CD1-CG1 4.18Å; L380-V388 HydrophobicContact CD2-CG2 4.45Å; L380-V388 HydrophobicContact CG-CG2 4.46Å; Q381-V388 HydrophobicContact CB-CG2 3.97Å; Q386-V388 VanDerWaalsContact C-N 3.31Å; Q386-V388 PolarHBondContact O-N 3.2Å; V388-Q390 VanDerWaalsContact C-N 3.32Å; V388-Q390 PolarHBondContact O-N 3.42Å; V388-L391 WeakPolarHBondContact O-CB 3.47Å; V388-L391 PolarHBondContact O-N 3Å; V388-V405 HydrophobicContact CG1-CG1 3.53Å; V388-V405 WeakPolarHBondContact O-CG1 3.36Å; V388-P407 HydrophobicContact CG1-CB 4.07Å; V388-P432 HydrophobicContact CG1-CB 4.01Å; V388-P432 HydrophobicContact CG2-CB 4.3Å; V388-P432 HydrophobicContact CG2-CG 4.27Å
389T89.5Confident89.2Confident82 Ų8265.3 Ų65.350%0.50337%0.37SS..Hα-helixtrans-64.6-36.3177.244.30000112.8Q386 G392 P407Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.42Å; T389-G392 PolarHBondContact O-N 3.36Å; T389-P407 HydrophobicContact CG2-CB 4.29Å; T389-P407 HydrophobicContact CG2-CG 4.11Å
390Q93.6Very high89.8Confident96 Ų9664.2 Ų64.245%0.44936%0.355SS..Hα-helixtrans-67.6-33.4178.4-169.7179.910.500112.5Q386 A387 V388 G392 S393 M394 L461Q386-Q390 WeakPolarHBondContact O-CB 3.46Å; Q386-Q390 PolarHBondContact O-N 2.69Å; A387-Q390 PolarHBondContact O-N 2.78Å; V388-Q390 VanDerWaalsContact C-N 3.32Å; V388-Q390 PolarHBondContact O-N 3.42Å; Q390-G392 PolarHBondContact O-N 2.86Å; Q390-S393 PolarHBondContact O-N 2.85Å; Q390-S393 PolarHBondContact O-OG 3.36Å; Q390-M394 HydrophobicContact CG-CG 4.23Å; Q390-M394 HydrophobicContact CG-SD 4.14Å; Q390-M394 VanDerWaalsContact O-CG 3.32Å; Q390-M394 WeakPolarHBondContact O-CG 3.34Å; Q390-M394 PolarHBondContact O-N 3.48Å; Q390-L461 HydrophobicContact CB-CD2 4.32Å; Q390-L461 HydrophobicContact CG-CD2 4.13Å
391L95.6Very high90.3Very high0 Ų069 Ų690%039%0.389CS..Hα-helixtrans-56.2-41.517617860.4000111.6L377 L380 A387 V388 S393 M394 L395 V405 L434 L454 C457 L458 L461L377-L391 HydrophobicContact CD1-CD2 4.03Å; L377-L391 HydrophobicContact CD2-CD2 3.83Å; L380-L391 HydrophobicContact CD2-CB 4.15Å; L380-L391 HydrophobicContact CD2-CD2 3.85Å; A387-L391 PolarHBondContact O-N 2.93Å; V388-L391 WeakPolarHBondContact O-CB 3.47Å; V388-L391 PolarHBondContact O-N 3Å; L391-S393 PolarHBondContact O-N 3.36Å; L391-M394 PolarHBondContact O-N 3.16Å; L391-L395 HydrophobicContact CD1-CD1 4.21Å; L391-L395 HydrophobicContact CD1-CG 4.2Å; L391-L395 HydrophobicContact CG-CD1 4.08Å; L391-L395 WeakPolarHBondContact O-CG 3.45Å; L391-L395 PolarHBondContact O-N 2.92Å; L391-V405 HydrophobicContact CB-CG2 4.42Å; L391-V405 HydrophobicContact CD2-CG2 4.27Å; L391-V405 HydrophobicContact CG-CG2 4.16Å; L391-L434 HydrophobicContact CD2-CD1 4.11Å; L391-L454 HydrophobicContact CD1-CD1 4.13Å; L391-L454 HydrophobicContact CD2-CD1 4.41Å; L391-C457 HydrophobicContact CD1-CB 3.57Å; L391-L458 HydrophobicContact CD1-CD2 4.2Å; L391-L458 HydrophobicContact CD2-CD2 3.89Å; L391-L461 HydrophobicContact CB-CD1 3.82Å; L391-L461 HydrophobicContact CD1-CD1 4Å; L391-L461 HydrophobicContact CG-CD1 4.47Å
392G94.6Very high90.7Very high25 Ų2570.1 Ų70.126%0.25841%0.413SS..Hα-helixtrans-59.6-46.7177.800000112.7T389 Q390 L395 F396T389-G392 PolarHBondContact O-N 3.36Å; Q390-G392 PolarHBondContact O-N 2.86Å; G392-L395 PolarHBondContact O-N 3.23Å; G392-F396 PolarHBondContact O-N 3.33Å; G392-F396 VanDerWaalsContact O-N 3.1Å
393S94.8Very high91.5Very high66 Ų6667 Ų6746%0.46239%0.388SS..Hα-helixtrans-69.6-35.117865.10000112.4Q390 L391 F396 T397Q390-S393 PolarHBondContact O-N 2.85Å; Q390-S393 PolarHBondContact O-OG 3.36Å; L391-S393 PolarHBondContact O-N 3.36Å; S393-F396 PolarHBondContact O-N 2.84Å; S393-T397 WeakPolarHBondContact O-CB 3.49Å; S393-T397 VanDerWaalsContact O-CG2 3.31Å; S393-T397 WeakPolarHBondContact O-CG2 3.36Å; S393-T397 PolarHBondContact O-N 3.38Å; S393-T397 PolarHBondContact O-OG1 3.25Å
394M97.6Very high92.6Very high22 Ų2266.3 Ų66.311%0.10838%0.376CS..Hα-helixtrans-65.2-37.1175.5-73.1-17970.400113.3Q390 L391 T397 R398 C457 A460 L461Q390-M394 HydrophobicContact CG-CG 4.23Å; Q390-M394 HydrophobicContact CG-SD 4.14Å; Q390-M394 VanDerWaalsContact O-CG 3.32Å; Q390-M394 WeakPolarHBondContact O-CG 3.34Å; Q390-M394 PolarHBondContact O-N 3.48Å; L391-M394 PolarHBondContact O-N 3.16Å; M394-T397 WeakPolarHBondContact CA-OG1 3.26Å; M394-T397 PolarHBondContact O-OG1 3.18Å; M394-R398 WeakPolarHBondContact O-CB 3.28Å; M394-R398 WeakPolarHBondContact O-CD 3.29Å; M394-R398 WeakPolarHBondContact O-CG 3.29Å; M394-R398 PolarHBondContact O-N 3.06Å; M394-R398 PolarHBondContact O-NH1 2.91Å; M394-R398 VanDerWaalsContact O-NH1 3.11Å; M394-C457 HydrophobicContact CB-CB 4.41Å; M394-C457 HydrophobicContact CE-CB 4.19Å; M394-A460 HydrophobicContact CE-CB 3.93Å; M394-L461 HydrophobicContact CE-CG 4.4Å; M394-L461 HydrophobicContact SD-CD1 3.98Å; M394-L461 HydrophobicContact SD-CD2 3.64Å; M394-L461 HydrophobicContact SD-CG 3.69Å
395L97.7Very high93.5Very high4 Ų464.9 Ų64.92%0.02137%0.365CS..Hα-helixtrans-67.9-46.5174.3-75.2170.3000110.9L391 G392 T397 R398 Q399 V400 A403 V405 L434 L454L391-L395 HydrophobicContact CD1-CD1 4.21Å; L391-L395 HydrophobicContact CD1-CG 4.2Å; L391-L395 HydrophobicContact CG-CD1 4.08Å; L391-L395 WeakPolarHBondContact O-CG 3.45Å; L391-L395 PolarHBondContact O-N 2.92Å; G392-L395 PolarHBondContact O-N 3.23Å; L395-T397 PolarHBondContact O-N 3.44Å; L395-R398 CarbonylContact O-C 3.26Å; L395-R398 WeakPolarHBondContact O-CA 3.47Å; L395-R398 PolarHBondContact O-N 3.09Å; L395-R398 VanDerWaalsContact O-N 3.09Å; L395-Q399 PolarHBondContact O-N 2.89Å; L395-V400 HydrophobicContact CB-CB 4.1Å; L395-V400 HydrophobicContact CD2-CB 4.27Å; L395-V400 HydrophobicContact CD2-CG1 4.43Å; L395-V400 HydrophobicContact CD2-CG2 4.09Å; L395-V400 WeakPolarHBondContact O-CB 3.47Å; L395-V400 PolarHBondContact O-N 3.29Å; L395-A403 HydrophobicContact CD1-CB 4.21Å; L395-V405 HydrophobicContact CD1-CG2 4.37Å; L395-L434 HydrophobicContact CD1-CD1 3.52Å; L395-L454 HydrophobicContact CD1-CD1 4.2Å; L395-L454 HydrophobicContact CD2-CB 4.22Å; L395-L454 HydrophobicContact CD2-CD1 4.08Å
396F97.3Very high94.7Very high156 Ų15659.1 Ų59.168%0.68434%0.335SS*.Hα-helixtrans-60.8-47.1178.7-174.8-105.4000112.4G392 S393 R398 Q399G392-F396 PolarHBondContact O-N 3.33Å; G392-F396 VanDerWaalsContact O-N 3.1Å; S393-F396 PolarHBondContact O-N 2.84Å; F396-R398 PolarHBondContact O-N 3Å; F396-Q399 WeakPolarHBondContact O-CA 3.13Å; F396-Q399 PolarHBondContact O-N 2.85Å
397T97.4Very high95.3Very high99 Ų9953.3 Ų53.361%0.60731%0.31SS*.Hα-helixtrans-62.1-24.8175.750.30000113.1S393 M394 L395 Q399S393-T397 WeakPolarHBondContact O-CB 3.49Å; S393-T397 VanDerWaalsContact O-CG2 3.31Å; S393-T397 WeakPolarHBondContact O-CG2 3.36Å; S393-T397 PolarHBondContact O-N 3.38Å; S393-T397 PolarHBondContact O-OG1 3.25Å; M394-T397 WeakPolarHBondContact CA-OG1 3.26Å; M394-T397 PolarHBondContact O-OG1 3.18Å; L395-T397 PolarHBondContact O-N 3.44Å; T397-Q399 VanDerWaalsContact C-N 3.27Å; T397-Q399 PolarHBondContact O-N 2.97Å
398R97.4Very high95.6Very high96 Ų9656.1 Ų56.136%0.36232%0.323SS..THydrogen-bonded Turntrans-92.320.7173.5-72.2168.4-179.870.22.2112.7M394 L395 F396 V400 R453 C457M394-R398 WeakPolarHBondContact O-CB 3.28Å; M394-R398 WeakPolarHBondContact O-CD 3.29Å; M394-R398 WeakPolarHBondContact O-CG 3.29Å; M394-R398 PolarHBondContact O-N 3.06Å; M394-R398 PolarHBondContact O-NH1 2.91Å; M394-R398 VanDerWaalsContact O-NH1 3.11Å; L395-R398 CarbonylContact O-C 3.26Å; L395-R398 WeakPolarHBondContact O-CA 3.47Å; L395-R398 PolarHBondContact O-N 3.09Å; L395-R398 VanDerWaalsContact O-N 3.09Å; F396-R398 PolarHBondContact O-N 3Å; R398-V400 VanDerWaalsContact C-N 3.28Å; R398-V400 PolarHBondContact O-N 2.74Å; R398-R453 WeakPolarHBondContact O-CD 3.14Å; R398-R453 PolarHBondContact O-NE 2.9Å; R398-R453 PolarHBondContact O-NH1 3.43Å; R398-C457 WeakPolarHBondContact CD-SG 3.41Å
399Q97.9Very high95.7Very high153 Ų15358.8 Ų58.872%0.71535%0.351SS*.THydrogen-bonded Turntrans60.534.1175.7-52.7171.1-8.900113.3L395 F396 T397 R453L395-Q399 PolarHBondContact O-N 2.89Å; F396-Q399 WeakPolarHBondContact O-CA 3.13Å; F396-Q399 PolarHBondContact O-N 2.85Å; T397-Q399 VanDerWaalsContact C-N 3.27Å; T397-Q399 PolarHBondContact O-N 2.97Å; Q399-R453 PolarHBondContact O-NH1 3.39Å
400V98.1Very high95.9Very high14 Ų1458.6 Ų58.69%0.08534%0.344CS..  trans-97.7106.9166.7-175.60000107.7L395 R398 A403 R453L395-V400 HydrophobicContact CB-CB 4.1Å; L395-V400 HydrophobicContact CD2-CB 4.27Å; L395-V400 HydrophobicContact CD2-CG1 4.43Å; L395-V400 HydrophobicContact CD2-CG2 4.09Å; L395-V400 WeakPolarHBondContact O-CB 3.47Å; L395-V400 PolarHBondContact O-N 3.29Å; R398-V400 VanDerWaalsContact C-N 3.28Å; R398-V400 PolarHBondContact O-N 2.74Å; V400-A403 HydrophobicContact CG1-CB 3.91Å; V400-R453 HydrophobicContact CG2-CB 3.8Å; V400-R453 HydrophobicContact CG2-CG 4.32Å
401S96.7Very high96Very high105 Ų10559.6 Ų59.673%0.73435%0.348SS*.  trans-94.3160.3172.760.20000110.6A403S401-A403 PolarHBondContact O-N 2.97Å
402G95Very high96.1Very high71 Ų7162.4 Ų62.473%0.73236%0.362SS*.SBendtrans77.5-22.3175.100000116R404G402-R404 PolarHBondContact O-N 3.29Å
403A96.6Very high96.3Very high30 Ų3064.9 Ų64.925%0.24837%0.372CS..  trans-65.3127.9170.800000110.3L395 V400 S401 N435L395-A403 HydrophobicContact CD1-CB 4.21Å; V400-A403 HydrophobicContact CG1-CB 3.91Å; S401-A403 PolarHBondContact O-N 2.97Å; A403-N435 WeakPolarHBondContact CA-O 3.22Å
404R97Very high96.4Very high43 Ų4362.3 Ų62.316%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-114127.9179-57.7176.366.9-149.1-1.9109F227 G402 I406 L434 N435F227-R404 VanDerWaalsContact CE2-NH1 3.31Å; G402-R404 PolarHBondContact O-N 3.29Å; R404-I406 HydrophobicContact CB-CD1 3.74Å; R404-I406 VanDerWaalsContact O-CD1 3.28Å; R404-I406 WeakPolarHBondContact O-CD1 3.27Å; R404-L434 CarbonylContact O-C 3.55Å; R404-L434 VanDerWaalsContact O-CA 3.27Å; R404-L434 WeakPolarHBondContact O-CA 3.18Å; R404-N435 HydrophobicContact CB-CB 4.21Å; R404-N435 PolarHBondContact N-O 3.37Å; R404-N435 PolarHBondContact O-N 3.41Å
405V96.8Very high96.2Very high19 Ų1964.4 Ų64.412%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-104.3126.2171.8-176.50000109L377 V388 L391 L395 L434L377-V405 HydrophobicContact CD1-CG1 3.68Å; V388-V405 HydrophobicContact CG1-CG1 3.53Å; V388-V405 WeakPolarHBondContact O-CG1 3.36Å; L391-V405 HydrophobicContact CB-CG2 4.42Å; L391-V405 HydrophobicContact CD2-CG2 4.27Å; L391-V405 HydrophobicContact CG-CG2 4.16Å; L395-V405 HydrophobicContact CD1-CG2 4.37Å; V405-L434 HydrophobicContact CG2-CD1 4Å; V405-L434 HydrophobicContact CG2-CG 4.34Å
406I96.9Very high96Very high1 Ų167.7 Ų67.71%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-114103.8-172.5-65.171.8000108R404 M423 P432 Y433 N435R404-I406 HydrophobicContact CB-CD1 3.74Å; R404-I406 VanDerWaalsContact O-CD1 3.28Å; R404-I406 WeakPolarHBondContact O-CD1 3.27Å; I406-M423 HydrophobicContact CG1-CB 4.01Å; I406-M423 HydrophobicContact CG1-CE 4.27Å; I406-M423 HydrophobicContact CG2-CB 4.26Å; I406-P432 VanDerWaalsContact O-CA 3.22Å; I406-P432 WeakPolarHBondContact O-CA 3.5Å; I406-P432 VanDerWaalsContact O-CB 3.26Å; I406-P432 WeakPolarHBondContact O-CB 3.44Å; I406-Y433 HydrophobicContact CB-CD1 4.24Å; I406-Y433 HydrophobicContact CB-CD2 4.11Å; I406-Y433 HydrophobicContact CB-CE1 3.92Å; I406-Y433 HydrophobicContact CB-CE2 3.79Å; I406-Y433 HydrophobicContact CB-CG 4.32Å; I406-Y433 HydrophobicContact CD1-CD2 3.84Å; I406-Y433 HydrophobicContact CD1-CE2 3.45Å; I406-Y433 VanDerWaalsContact CD1-CE2 3.45Å; I406-Y433 HydrophobicContact CG1-CD2 4.14Å; I406-Y433 HydrophobicContact CG1-CE1 4.38Å; I406-Y433 HydrophobicContact CG1-CE2 3.49Å; I406-Y433 VanDerWaalsContact CG1-CE2 3.49Å; I406-Y433 HydrophobicContact CG2-CD1 4.36Å; I406-Y433 HydrophobicContact CG2-CE1 3.71Å; I406-Y433 HydrophobicContact CG2-CE2 4.34Å; I406-Y433 PolarHBondContact N-O 3.5Å; I406-Y433 PolarHBondContact O-N 3.16Å; I406-Y433 VanDerWaalsContact O-N 3.16Å; I406-N435 WeakPolarHBondContact CD1-OD1 3.45Å
407P94.6Very high96Very high28 Ų2863.4 Ų63.418%0.18239%0.387CS..  trans-77.7161.1169.333.5-34.5000111.3V388 T389V388-P407 HydrophobicContact CG1-CB 4.07Å; T389-P407 HydrophobicContact CG2-CB 4.29Å; T389-P407 HydrophobicContact CG2-CG 4.11Å
408L93.8Very high96.1Very high65 Ų6562 Ų6234%0.3438%0.378SS..THydrogen-bonded Turntrans-74.4156.1173.1-61.7-175.2000112K410 Y429 C431 P432L408-K410 PolarHBondContact O-N 2.92Å; L408-Y429 WeakPolarHBondContact CD2-O 3.3Å; L408-C431 VanDerWaalsContact CD2-C 3.48Å; L408-P432 HydrophobicContact CG-CB 4.49Å
409G90.4Very high96.1Very high59 Ų5957.6 Ų57.661%0.60836%0.361SS*.THydrogen-bonded Turntrans66.98.8166.700000116.4E411G409-E411 PolarHBondContact O-N 2.84Å
410K93Very high96.1Very high78 Ų7857 Ų5734%0.33935%0.352SS..  trans-63.6119.2179.2-177.6175.3-178.5173.50110.7L408 G421 F422 M423L408-K410 PolarHBondContact O-N 2.92Å; K410-G421 CarbonylContact O-C 3.36Å; K410-G421 WeakPolarHBondContact O-CA 3.45Å; K410-G421 PolarHBondContact O-N 2.87Å; K410-F422 PolarHBondContact O-N 3.24Å; K410-M423 HydrophobicContact CD-SD 4.33Å; K410-M423 PolarHBondContact NZ-SD 3.33Å
411E96.5Very high96Very high117 Ų11756.4 Ų56.455%0.54735%0.349SS..  trans-92.7141.3170.7-64.1-164.4152.800111.3G409 F419 R420G409-E411 PolarHBondContact O-N 2.84Å; E411-F419 WeakPolarHBondContact CA-O 3.46Å; E411-R420 HydrophobicContact CG-CG 4.34Å; E411-R420 IonicContact OE1-NE 3.61Å; E411-R420 PolarHBondContact OE1-NE 3.44Å
412Q97.7Very high96.1Very high60 Ų6051.9 Ų51.928%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-149120.8176.1178.771.757.800110.6I414 F419 F422Q412-I414 HydrophobicContact CG-CD1 4.19Å; Q412-I414 HydrophobicContact CG-CG1 3.91Å; Q412-F419 PolarHBondContact N-O 3.1Å; Q412-F419 PolarHBondContact O-N 3.34Å; Q412-F422 HydrophobicContact CB-CB 3.62Å; Q412-F422 HydrophobicContact CB-CD1 3.69Å; Q412-F422 HydrophobicContact CB-CD2 4.16Å; Q412-F422 HydrophobicContact CB-CE1 4.44Å; Q412-F422 HydrophobicContact CB-CG 3.53Å; Q412-F422 HydrophobicContact CG-CD1 3.88Å; Q412-F422 HydrophobicContact CG-CD2 4.43Å; Q412-F422 HydrophobicContact CG-CE1 4.14Å; Q412-F422 HydrophobicContact CG-CG 4.05Å
413T98Very high96.2Very high77 Ų7749.9 Ų49.947%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-85.6132.5169.5-54.10000110.7H417 T418T413-H417 CarbonylContact C-O 3.58Å; T413-H417 VanDerWaalsContact CA-O 3.31Å; T413-H417 WeakPolarHBondContact CA-O 3.43Å; T413-T418 PolarHBondContact OG1-OG1 3.27Å
414I97.3Very high96.3Very high11 Ų1148.6 Ų48.66%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-133.7116.5175.6-57.5166.1000107.6K173 F176 K177 Q412 G416 H417 F419 F422K173-I414 HydrophobicContact CB-CD1 4.48Å; K173-I414 HydrophobicContact CD-CD1 4.2Å; K173-I414 HydrophobicContact CG-CD1 3.78Å; F176-I414 HydrophobicContact CD1-CB 4.22Å; F176-I414 HydrophobicContact CD1-CG2 3.77Å; F176-I414 HydrophobicContact CE1-CB 4.24Å; F176-I414 HydrophobicContact CE1-CG2 4.11Å; F176-I414 WeakPolarHBondContact CE1-O 3.39Å; K177-I414 HydrophobicContact CD-CG2 4.36Å; K177-I414 HydrophobicContact CG-CG2 4.03Å; Q412-I414 HydrophobicContact CG-CD1 4.19Å; Q412-I414 HydrophobicContact CG-CG1 3.91Å; I414-G416 PolarHBondContact O-N 2.96Å; I414-H417 PolarHBondContact N-O 2.91Å; I414-H417 PolarHBondContact O-N 3.36Å; I414-F419 HydrophobicContact CB-CE2 4.27Å; I414-F419 HydrophobicContact CD1-CD2 3.99Å; I414-F419 HydrophobicContact CD1-CE2 4.01Å; I414-F419 HydrophobicContact CG1-CD2 4.41Å; I414-F419 HydrophobicContact CG1-CE2 4.49Å; I414-F422 HydrophobicContact CD1-CD2 4.2Å; I414-F422 HydrophobicContact CD1-CE2 3.41Å; I414-F422 VanDerWaalsContact CD1-CE2 3.41Å; I414-F422 HydrophobicContact CD1-CZ 3.69Å
415S94.3Very high96.3Very high66 Ų6646.6 Ų46.646%0.46227%0.27SS..THydrogen-bonded Turntrans50.642.5174.7-43.40000113.4
416G94.3Very high96.4Very high74 Ų7446.1 Ų46.176%0.76327%0.268SS*.THydrogen-bonded Turntrans90.1-15.7178.700000116I414I414-G416 PolarHBondContact O-N 2.96Å
417H97.2Very high96.3Very high66 Ų6650.9 Ų50.931%0.30629%0.29SS..EExtended strand (participates in β ladder)trans-96.9129.4176.3-171.790.8000111.2F176 T413 I414 F419F176-H417 HydrophobicContact CE1-CB 4.14Å; F176-H417 HydrophobicContact CZ-CB 3.6Å; T413-H417 CarbonylContact C-O 3.58Å; T413-H417 VanDerWaalsContact CA-O 3.31Å; T413-H417 WeakPolarHBondContact CA-O 3.43Å; I414-H417 PolarHBondContact N-O 2.91Å; I414-H417 PolarHBondContact O-N 3.36Å; H417-F419 HydrophobicContact CB-CE2 4.4Å; H417-F419 AromaticContact CD2-CD1 3.9Å; H417-F419 AromaticContact CD2-CD2 3.71Å; H417-F419 AromaticContact CD2-CE1 3.66Å; H417-F419 AromaticContact CD2-CE2 3.46Å; H417-F419 VanDerWaalsContact CD2-CE2 3.46Å; H417-F419 WeakPolarHBondContact CD2-CE2 3.38Å; H417-F419 AromaticContact CD2-CG 3.93Å; H417-F419 AromaticContact CD2-CZ 3.43Å; H417-F419 VanDerWaalsContact CD2-CZ 3.43Å; H417-F419 WeakPolarHBondContact CD2-CZ 3.49Å; H417-F419 AromaticContact NE2-CE1 3.82Å
418T98.3Very high96.4Very high69 Ų6954.2 Ų54.242%0.42331%0.314SS..EExtended strand (participates in β ladder)trans-97.3113178.6-610000110.4T413T413-T418 PolarHBondContact OG1-OG1 3.27Å
419F98.3Very high96.6Very high3 Ų351.6 Ų51.61%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-88.9121.4173.9-67.1-86.3000110.2W167 F176 V188 E411 Q412 I414 H417 F422W167-F419 HydrophobicContact CH2-CE1 4.48Å; W167-F419 HydrophobicContact CZ3-CE1 4.08Å; W167-F419 HydrophobicContact CZ3-CZ 4.28Å; F176-F419 HydrophobicContact CD1-CE2 4.11Å; F176-F419 HydrophobicContact CD1-CZ 4.25Å; F176-F419 HydrophobicContact CD2-CE2 4.38Å; F176-F419 AromaticContact CD2-CZ 3.71Å; F176-F419 HydrophobicContact CD2-CZ 3.71Å; F176-F419 AromaticContact CE1-CE2 3.95Å; F176-F419 HydrophobicContact CE1-CE2 3.95Å; F176-F419 HydrophobicContact CE1-CZ 4.18Å; F176-F419 HydrophobicContact CE2-CE2 4.23Å; F176-F419 AromaticContact CE2-CZ 3.63Å; F176-F419 HydrophobicContact CE2-CZ 3.63Å; F176-F419 HydrophobicContact CG-CE2 4.32Å; F176-F419 HydrophobicContact CG-CZ 4.03Å; F176-F419 HydrophobicContact CZ-CE2 4.02Å; F176-F419 AromaticContact CZ-CZ 3.88Å; F176-F419 HydrophobicContact CZ-CZ 3.88Å; V188-F419 HydrophobicContact CG1-CE1 4.24Å; V188-F419 HydrophobicContact CG2-CE1 4.33Å; V188-F419 HydrophobicContact CG2-CZ 4.44Å; E411-F419 WeakPolarHBondContact CA-O 3.46Å; Q412-F419 PolarHBondContact N-O 3.1Å; Q412-F419 PolarHBondContact O-N 3.34Å; I414-F419 HydrophobicContact CB-CE2 4.27Å; I414-F419 HydrophobicContact CD1-CD2 3.99Å; I414-F419 HydrophobicContact CD1-CE2 4.01Å; I414-F419 HydrophobicContact CG1-CD2 4.41Å; I414-F419 HydrophobicContact CG1-CE2 4.49Å; H417-F419 HydrophobicContact CB-CE2 4.4Å; H417-F419 AromaticContact CD2-CD1 3.9Å; H417-F419 AromaticContact CD2-CD2 3.71Å; H417-F419 AromaticContact CD2-CE1 3.66Å; H417-F419 AromaticContact CD2-CE2 3.46Å; H417-F419 VanDerWaalsContact CD2-CE2 3.46Å; H417-F419 WeakPolarHBondContact CD2-CE2 3.38Å; H417-F419 AromaticContact CD2-CG 3.93Å; H417-F419 AromaticContact CD2-CZ 3.43Å; H417-F419 VanDerWaalsContact CD2-CZ 3.43Å; H417-F419 WeakPolarHBondContact CD2-CZ 3.49Å; H417-F419 AromaticContact NE2-CE1 3.82Å; F419-F422 HydrophobicContact CB-CB 4.01Å; F419-F422 HydrophobicContact CB-CD2 3.72Å; F419-F422 HydrophobicContact CB-CG 4.32Å; F419-F422 HydrophobicContact CD2-CD2 4.16Å; F419-F422 HydrophobicContact CD2-CE2 4.44Å; F419-F422 AromaticContact CG-CD2 3.94Å; F419-F422 HydrophobicContact CG-CD2 3.94Å
420R97.7Very high96.8Very high140 Ų14053.2 Ų53.253%0.52830%0.3SS..THydrogen-bonded Turntrans-84.1140.7165.9-67.3-176.9171.1164.73.5110.1R169 E411 F422 E427R169-R420 PolarHBondContact NH1-O 2.94Å; R169-R420 PolarHBondContact NH2-O 2.93Å; E411-R420 HydrophobicContact CG-CG 4.34Å; E411-R420 IonicContact OE1-NE 3.61Å; E411-R420 PolarHBondContact OE1-NE 3.44Å; R420-F422 VanDerWaalsContact C-N 3.27Å; R420-F422 PolarHBondContact O-N 3.39Å; R420-E427 HydrophobicContact CB-CB 4.22Å; R420-E427 HydrophobicContact CB-CG 4.17Å; R420-E427 WeakPolarHBondContact O-CA 3.3Å
421G96.8Very high97Very high2 Ų249.8 Ų49.82%0.02129%0.285CS..THydrogen-bonded Turntrans62.632.6-175.100000113.3R169 K410 M423 S424R169-G421 PolarHBondContact NH2-O 3.05Å; K410-G421 CarbonylContact O-C 3.36Å; K410-G421 WeakPolarHBondContact O-CA 3.45Å; K410-G421 PolarHBondContact O-N 2.87Å; G421-M423 PolarHBondContact O-N 3.49Å; G421-S424 VanDerWaalsContact O-CB 3.29Å; G421-S424 WeakPolarHBondContact O-CB 3.39Å; G421-S424 PolarHBondContact O-N 3.09Å; G421-S424 PolarHBondContact O-OG 3.35Å
422F97.9Very high97Very high11 Ų1144.2 Ų44.25%0.04826%0.26CS..THydrogen-bonded Turntrans-56.2139.4-177.9-175-102.1000112.2D171 K173 K410 Q412 I414 F419 R420 S424D171-F422 HydrophobicContact CB-CD2 3.84Å; D171-F422 HydrophobicContact CB-CE2 3.69Å; D171-F422 HydrophobicContact CB-CZ 4.25Å; D171-F422 WeakPolarHBondContact OD2-CA 3.47Å; K173-F422 HydrophobicContact CG-CZ 4.07Å; K410-F422 PolarHBondContact O-N 3.24Å; Q412-F422 HydrophobicContact CB-CB 3.62Å; Q412-F422 HydrophobicContact CB-CD1 3.69Å; Q412-F422 HydrophobicContact CB-CD2 4.16Å; Q412-F422 HydrophobicContact CB-CE1 4.44Å; Q412-F422 HydrophobicContact CB-CG 3.53Å; Q412-F422 HydrophobicContact CG-CD1 3.88Å; Q412-F422 HydrophobicContact CG-CD2 4.43Å; Q412-F422 HydrophobicContact CG-CE1 4.14Å; Q412-F422 HydrophobicContact CG-CG 4.05Å; I414-F422 HydrophobicContact CD1-CD2 4.2Å; I414-F422 HydrophobicContact CD1-CE2 3.41Å; I414-F422 VanDerWaalsContact CD1-CE2 3.41Å; I414-F422 HydrophobicContact CD1-CZ 3.69Å; F419-F422 HydrophobicContact CB-CB 4.01Å; F419-F422 HydrophobicContact CB-CD2 3.72Å; F419-F422 HydrophobicContact CB-CG 4.32Å; F419-F422 HydrophobicContact CD2-CD2 4.16Å; F419-F422 HydrophobicContact CD2-CE2 4.44Å; F419-F422 AromaticContact CG-CD2 3.94Å; F419-F422 HydrophobicContact CG-CD2 3.94Å; R420-F422 VanDerWaalsContact C-N 3.27Å; R420-F422 PolarHBondContact O-N 3.39Å; F422-S424 VanDerWaalsContact C-N 3.29Å
423M97.3Very high97Very high28 Ų2841.4 Ų41.414%0.13825%0.246CC..THydrogen-bonded Turntrans84.6-19.8-166.9-54.9176.655.900114.5D171 I406 K410 G421 H425 Y433D171-M423 WeakPolarHBondContact OD2-CA 3.2Å; D171-M423 PolarHBondContact OD2-N 3.27Å; I406-M423 HydrophobicContact CG1-CB 4.01Å; I406-M423 HydrophobicContact CG1-CE 4.27Å; I406-M423 HydrophobicContact CG2-CB 4.26Å; K410-M423 HydrophobicContact CD-SD 4.33Å; K410-M423 PolarHBondContact NZ-SD 3.33Å; G421-M423 PolarHBondContact O-N 3.49Å; M423-H425 PolarHBondContact O-CE1 3.5Å; M423-Y433 PolarHBondContact O-OH 2.93Å
424S97.8Very high97.1Very high4 Ų437.9 Ų37.93%0.02823%0.225CC..THydrogen-bonded Turntrans-89.2-11.8-179.681.90000114.9D171 L198 G421 F422 S426 Y433D171-S424 PolarHBondContact OD2-N 3.29Å; L198-S424 WeakPolarHBondContact CD1-O 3.35Å; G421-S424 VanDerWaalsContact O-CB 3.29Å; G421-S424 WeakPolarHBondContact O-CB 3.39Å; G421-S424 PolarHBondContact O-N 3.09Å; G421-S424 PolarHBondContact O-OG 3.35Å; F422-S424 VanDerWaalsContact C-N 3.29Å; S424-S426 PolarHBondContact O-N 3.03Å; S424-S426 PolarHBondContact OG-N 3.2Å; S424-S426 PolarHBondContact OG-O 3.48Å; S424-Y433 VanDerWaalsContact CA-OH 3.29Å; S424-Y433 WeakPolarHBondContact CA-OH 3.41Å
425H98.1Very high97.1Very high0 Ų037.5 Ų37.50%022%0.223CC..THydrogen-bonded Turntrans67.111.9-177.5-39.4-44.1000114.1D171 N191 L198 F227 R230 M423D171-H425 WeakPolarHBondContact CB-ND1 3.49Å; D171-H425 PolarHBondContact N-ND1 2.83Å; D171-H425 WeakPolarHBondContact OD2-CA 3.49Å; D171-H425 PolarHBondContact OD2-N 3.23Å; D171-H425 IonicContact OD2-ND1 2.86Å; N191-H425 PolarHBondContact ND2-O 2.91Å; L198-H425 HydrophobicContact CD1-CB 3.83Å; F227-H425 PolarHBondContact O-NE2 3.06Å; R230-H425 HydrophobicContact CB-CB 4.2Å; R230-H425 VanDerWaalsContact CB-CD2 3.47Å; R230-H425 WeakPolarHBondContact CB-CD2 3.2Å; M423-H425 PolarHBondContact O-CE1 3.5Å
426S97.5Very high97.3Very high10 Ų1035 Ų357%0.0721%0.206CC..SBendtrans-147.3156.2176.2172.30000108.7R169 S424 S428R169-S426 PolarHBondContact NH2-O 3.26Å; S424-S426 PolarHBondContact O-N 3.03Å; S424-S426 PolarHBondContact OG-N 3.2Å; S424-S426 PolarHBondContact OG-O 3.48Å; S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact OG-N 3.04Å
427E96.6Very high97.5Very high101 Ų10133.5 Ų33.547%0.47219%0.186SC..SBendtrans-67.7-29.7171.1-59.9-162.3138.800112.7R420R420-E427 HydrophobicContact CB-CB 4.22Å; R420-E427 HydrophobicContact CB-CG 4.17Å; R420-E427 WeakPolarHBondContact O-CA 3.3Å
428S95.5Very high97.6Very high98 Ų9830.3 Ų30.369%0.68517%0.172SC*.SBendtrans-145.858.1-169.352.70000112.4S426S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact OG-N 3.04Å
429Y97.8Very high97.6Very high9 Ų929 Ų294%0.03517%0.168CC..  trans-64141.8172.8-165.7-102.2000111.1D196 L198 P229 L364 L408 C431 Y433D196-Y429 PolarHBondContact O-OH 3.14Å; L198-Y429 HydrophobicContact CD1-CD2 3.88Å; L198-Y429 HydrophobicContact CD1-CE2 4.35Å; L198-Y429 HydrophobicContact CD2-CD2 4.12Å; L198-Y429 HydrophobicContact CD2-CE2 4.44Å; L198-Y429 HydrophobicContact CG-CD2 4.03Å; L198-Y429 HydrophobicContact CG-CE2 4.14Å; P229-Y429 HydrophobicContact CB-CE2 3.8Å; P229-Y429 HydrophobicContact CG-CD1 4.41Å; P229-Y429 HydrophobicContact CG-CD2 3.91Å; P229-Y429 HydrophobicContact CG-CE1 3.97Å; P229-Y429 HydrophobicContact CG-CE2 3.38Å; P229-Y429 HydrophobicContact CG-CG 4.4Å; P229-Y429 VanDerWaalsContact CG-CZ 3.44Å; L364-Y429 HydrophobicContact CD1-CE1 4.1Å; L364-Y429 WeakPolarHBondContact CD1-OH 3.38Å; L408-Y429 WeakPolarHBondContact CD2-O 3.3Å; Y429-C431 VanDerWaalsContact CD1-O 3.26Å; Y429-C431 WeakPolarHBondContact CD1-O 3.44Å; Y429-C431 PolarHBondContact O-N 2.71Å; Y429-Y433 AromaticContact CD1-CD1 3.77Å; Y429-Y433 HydrophobicContact CD1-CD1 3.77Å; Y429-Y433 AromaticContact CD1-CE1 3.63Å; Y429-Y433 HydrophobicContact CD1-CE1 3.63Å; Y429-Y433 AromaticContact CE1-CD1 3.75Å; Y429-Y433 HydrophobicContact CE1-CD1 3.75Å; Y429-Y433 AromaticContact CE1-CE1 3.9Å; Y429-Y433 HydrophobicContact CE1-CE1 3.9Å; Y429-Y433 HydrophobicContact CG-CE1 4.35Å
430P96Very high97.6Very high93 Ų9329.7 Ų29.760%0.60417%0.172SC*.SBendtrans-67.4-28.5-164.9-25.736.1000116.3
431C96.1Very high97.6Very high6 Ų624.5 Ų24.54%0.04116%0.162CC..SBendtrans-143.2153.6-174.568.50000111.8D378 L408 Y429 Y433D378-C431 WeakPolarHBondContact OD1-CB 3.29Å; L408-C431 VanDerWaalsContact CD2-C 3.48Å; Y429-C431 VanDerWaalsContact CD1-O 3.26Å; Y429-C431 WeakPolarHBondContact CD1-O 3.44Å; Y429-C431 PolarHBondContact O-N 2.71Å; C431-Y433 WeakPolarHBondContact O-CD1 3.37Å
432P97.1Very high97.7Very high1 Ų126 Ų261%0.00617%0.169CC..  trans-69.7154.7165.730.4-31.6000109.7L377 Q381 V388 I406 L408L377-P432 HydrophobicContact CB-CB 4.3Å; L377-P432 HydrophobicContact CB-CG 4.12Å; L377-P432 PolarHBondContact N-O 3.1Å; Q381-P432 HydrophobicContact CB-CG 3.81Å; Q381-P432 HydrophobicContact CG-CG 4.34Å; Q381-P432 VanDerWaalsContact OE1-CG 3.23Å; V388-P432 HydrophobicContact CG1-CB 4.01Å; V388-P432 HydrophobicContact CG2-CB 4.3Å; V388-P432 HydrophobicContact CG2-CG 4.27Å; I406-P432 VanDerWaalsContact O-CA 3.22Å; I406-P432 WeakPolarHBondContact O-CA 3.5Å; I406-P432 VanDerWaalsContact O-CB 3.26Å; I406-P432 WeakPolarHBondContact O-CB 3.44Å; L408-P432 HydrophobicContact CG-CB 4.49Å
433Y98.4Very high97.7Very high1 Ų128.8 Ų28.80%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-152.1163.8-177.559.6-93000112.6A228 P229 L364 A374 M375 I406 M423 S424 Y429 C431 N435A228-Y433 WeakPolarHBondContact O-CE2 3.38Å; P229-Y433 WeakPolarHBondContact CD-OH 3.35Å; P229-Y433 HydrophobicContact CG-CE1 4.17Å; L364-Y433 HydrophobicContact CD1-CG 4.39Å; A374-Y433 HydrophobicContact CB-CD2 3.96Å; A374-Y433 HydrophobicContact CB-CG 4.45Å; M375-Y433 CarbonylContact O-C 3.44Å; M375-Y433 WeakPolarHBondContact O-CA 3.31Å; M375-Y433 WeakPolarHBondContact O-CB 3.38Å; I406-Y433 HydrophobicContact CB-CD1 4.24Å; I406-Y433 HydrophobicContact CB-CD2 4.11Å; I406-Y433 HydrophobicContact CB-CE1 3.92Å; I406-Y433 HydrophobicContact CB-CE2 3.79Å; I406-Y433 HydrophobicContact CB-CG 4.32Å; I406-Y433 HydrophobicContact CD1-CD2 3.84Å; I406-Y433 HydrophobicContact CD1-CE2 3.45Å; I406-Y433 VanDerWaalsContact CD1-CE2 3.45Å; I406-Y433 HydrophobicContact CG1-CD2 4.14Å; I406-Y433 HydrophobicContact CG1-CE1 4.38Å; I406-Y433 HydrophobicContact CG1-CE2 3.49Å; I406-Y433 VanDerWaalsContact CG1-CE2 3.49Å; I406-Y433 HydrophobicContact CG2-CD1 4.36Å; I406-Y433 HydrophobicContact CG2-CE1 3.71Å; I406-Y433 HydrophobicContact CG2-CE2 4.34Å; I406-Y433 PolarHBondContact N-O 3.5Å; I406-Y433 PolarHBondContact O-N 3.16Å; I406-Y433 VanDerWaalsContact O-N 3.16Å; M423-Y433 PolarHBondContact O-OH 2.93Å; S424-Y433 VanDerWaalsContact CA-OH 3.29Å; S424-Y433 WeakPolarHBondContact CA-OH 3.41Å; Y429-Y433 AromaticContact CD1-CD1 3.77Å; Y429-Y433 HydrophobicContact CD1-CD1 3.77Å; Y429-Y433 AromaticContact CD1-CE1 3.63Å; Y429-Y433 HydrophobicContact CD1-CE1 3.63Å; Y429-Y433 AromaticContact CE1-CD1 3.75Å; Y429-Y433 HydrophobicContact CE1-CD1 3.75Å; Y429-Y433 AromaticContact CE1-CE1 3.9Å; Y429-Y433 HydrophobicContact CE1-CE1 3.9Å; Y429-Y433 HydrophobicContact CG-CE1 4.35Å; C431-Y433 WeakPolarHBondContact O-CD1 3.37Å; Y433-N435 WeakPolarHBondContact CE2-OD1 3.48Å
434L98.5Very high97.8Very high3 Ų334.1 Ų34.12%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-112.1129.8170176.5153.5000109.7A374 M375 L377 L391 L395 R404 V405 L454A374-L434 CarbonylContact C-O 3.12Å; A374-L434 VanDerWaalsContact CA-O 3.26Å; A374-L434 WeakPolarHBondContact CA-O 3.49Å; M375-L434 HydrophobicContact CG-CB 3.84Å; M375-L434 HydrophobicContact CG-CD2 4.22Å; M375-L434 PolarHBondContact N-O 3.37Å; M375-L434 PolarHBondContact O-N 3.06Å; M375-L434 HydrophobicContact SD-CB 4.41Å; M375-L434 HydrophobicContact SD-CD2 4.25Å; L377-L434 HydrophobicContact CD1-CB 4.13Å; L377-L434 HydrophobicContact CG-CB 4.45Å; L391-L434 HydrophobicContact CD2-CD1 4.11Å; L395-L434 HydrophobicContact CD1-CD1 3.52Å; R404-L434 CarbonylContact O-C 3.55Å; R404-L434 VanDerWaalsContact O-CA 3.27Å; R404-L434 WeakPolarHBondContact O-CA 3.18Å; V405-L434 HydrophobicContact CG2-CD1 4Å; V405-L434 HydrophobicContact CG2-CG 4.34Å; L434-L454 HydrophobicContact CD1-CD1 3.74Å; L434-L454 HydrophobicContact CD1-CD2 4.33Å; L434-L454 HydrophobicContact CD2-CD2 4.39Å
435N98.4Very high97.8Very high3 Ų336.1 Ų36.12%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-91.8140.7169.3-67.7137.2000112.7A228 L373 A374 A403 R404 I406 Y433A228-N435 PolarHBondContact O-ND2 3.34Å; A228-N435 PolarHBondContact O-OD1 2.91Å; L373-N435 VanDerWaalsContact O-CA 3.31Å; L373-N435 WeakPolarHBondContact O-CA 3.26Å; L373-N435 PolarHBondContact O-ND2 3.41Å; A374-N435 WeakPolarHBondContact CB-ND2 3.05Å; A403-N435 WeakPolarHBondContact CA-O 3.22Å; R404-N435 HydrophobicContact CB-CB 4.21Å; R404-N435 PolarHBondContact N-O 3.37Å; R404-N435 PolarHBondContact O-N 3.41Å; I406-N435 WeakPolarHBondContact CD1-OD1 3.45Å; Y433-N435 WeakPolarHBondContact CE2-OD1 3.48Å
436A98.4Very high97.8Very high13 Ų1340 Ų4011%0.10725%0.248CC..EExtended strand (participates in β ladder)trans-132.6158160.300000108.5L348 L352 L373L348-A436 HydrophobicContact CD1-CB 4.33Å; L348-A436 HydrophobicContact CD2-CB 4.22Å; L352-A436 HydrophobicContact CD2-CB 4.46Å; L373-A436 PolarHBondContact N-O 3.15Å; L373-A436 PolarHBondContact O-N 2.91Å
437A98.6Very high97.9Very high42 Ų4239.7 Ų39.735%0.34725%0.246SC..EExtended strand (participates in β ladder)trans-141.6147.6-177.900000111.5I371 I442I371-A437 HydrophobicContact CG2-CB 4.3Å; I371-A437 CarbonylContact O-C 3.54Å; I371-A437 VanDerWaalsContact O-CA 3.29Å; I371-A437 WeakPolarHBondContact O-CA 3.13Å; A437-I442 WeakPolarHBondContact O-CD1 3.35Å
438S98.5Very high98Very high0 Ų038.5 Ų38.50%025%0.245CC..  trans-102.889.6169.2-179.70000109.3R341 Y345 I371 I442R341-S438 WeakPolarHBondContact CD-O 3.47Å; R341-S438 VanDerWaalsContact CG-O 3.25Å; R341-S438 WeakPolarHBondContact CG-O 3.41Å; R341-S438 PolarHBondContact NH1-O 3.11Å; R341-S438 VanDerWaalsContact NH1-O 3.11Å; R341-S438 PolarHBondContact O-OG 3.03Å; Y345-S438 VanDerWaalsContact CA-CB 3.48Å; Y345-S438 PolarHBondContact N-OG 2.86Å; Y345-S438 VanDerWaalsContact N-OG 3.13Å; I371-S438 PolarHBondContact O-N 2.91Å; S438-I442 WeakPolarHBondContact OG-CG2 3.49Å
439A98.6Very high98.1Very high41 Ų4137.4 Ų37.434%0.33923%0.231SC..  trans-95.1159.1175.100000111.2G441 I442A439-G441 PolarHBondContact O-N 2.73Å; A439-I442 VanDerWaalsContact O-CB 3.24Å; A439-I442 WeakPolarHBondContact O-CB 3.19Å; A439-I442 WeakPolarHBondContact O-CG2 3.37Å; A439-I442 PolarHBondContact O-N 3.19Å; A439-I442 VanDerWaalsContact O-N 3.1Å
440V98.3Very high98.1Very high17 Ų1738.1 Ų38.110%0.10324%0.237CC..THydrogen-bonded Turntrans-54.2134.6-177.869.90000111.3Q258 M287 Y337Q258-V440 HydrophobicContact CB-CB 4.09Å; Q258-V440 HydrophobicContact CB-CG1 4.41Å; M287-V440 HydrophobicContact CG-CG1 4.26Å; M287-V440 HydrophobicContact SD-CG2 4.45Å; Y337-V440 HydrophobicContact CG-CG2 4.4Å
441G98.3Very high98.3Very high31 Ų3134.2 Ų34.232%0.3221%0.211SC..THydrogen-bonded Turntrans86.5-4.6-175.600000115.5A439A439-G441 PolarHBondContact O-N 2.73Å
442I98.3Very high98.4Very high34 Ų3440 Ų4017%0.17424%0.235CC..  trans-63.4141.2171.5-168.7172.1000111.4I344 A437 S438 A439 D446 V447I344-I442 HydrophobicContact CB-CG2 3.88Å; I344-I442 HydrophobicContact CG1-CG2 4.29Å; I344-I442 HydrophobicContact CG2-CB 4.47Å; I344-I442 HydrophobicContact CG2-CD1 4.1Å; I344-I442 HydrophobicContact CG2-CG1 4.11Å; I344-I442 HydrophobicContact CG2-CG2 3.61Å; A437-I442 WeakPolarHBondContact O-CD1 3.35Å; S438-I442 WeakPolarHBondContact OG-CG2 3.49Å; A439-I442 VanDerWaalsContact O-CB 3.24Å; A439-I442 WeakPolarHBondContact O-CB 3.19Å; A439-I442 WeakPolarHBondContact O-CG2 3.37Å; A439-I442 PolarHBondContact O-N 3.19Å; A439-I442 VanDerWaalsContact O-N 3.1Å; I442-D446 HydrophobicContact CG1-CB 4.04Å; I442-V447 HydrophobicContact CD1-CG2 4.08Å
443T98.4Very high98.4Very high70 Ų7042.5 Ų42.543%0.42925%0.245SC..  trans-110.7162.9179.272.70000112.2G445 D446 V447T443-G445 PolarHBondContact O-N 3.05Å; T443-G445 PolarHBondContact OG1-N 3.37Å; T443-D446 WeakPolarHBondContact CB-OD2 3.43Å; T443-D446 PolarHBondContact N-OD2 3.35Å; T443-D446 WeakPolarHBondContact O-CB 3.29Å; T443-D446 PolarHBondContact O-N 3.4Å; T443-D446 VanDerWaalsContact OG1-CG 3.24Å; T443-D446 PolarHBondContact OG1-N 3.39Å; T443-D446 PolarHBondContact OG1-OD2 3.28Å; T443-V447 PolarHBondContact O-N 2.92Å
444R98.3Very high98.4Very high139 Ų13942.5 Ų42.553%0.52525%0.245SC..Hα-helixtrans-58-35.6168.8-69.3-175.4172.5-104.52.3111.9I344 F347 D446 V447 T448I344-R444 HydrophobicContact CD1-CB 4.28Å; I344-R444 HydrophobicContact CD1-CG 3.32Å; F347-R444 HydrophobicContact CD1-CG 4.24Å; F347-R444 HydrophobicContact CE1-CB 4.22Å; F347-R444 HydrophobicContact CE1-CG 4.3Å; R444-D446 VanDerWaalsContact C-N 3.32Å; R444-D446 PolarHBondContact O-N 3.24Å; R444-V447 PolarHBondContact O-N 3.3Å; R444-T448 PolarHBondContact O-N 3.32Å; R444-T448 PolarHBondContact O-OG1 3.4Å; R444-T448 VanDerWaalsContact O-OG1 3.11Å
445G98.6Very high98.4Very high46 Ų4644.2 Ų44.247%0.47425%0.254SS..Hα-helixtrans-61.1-40.2178.300000112.6T443 L449T443-G445 PolarHBondContact O-N 3.05Å; T443-G445 PolarHBondContact OG1-N 3.37Å; G445-L449 VanDerWaalsContact O-CB 3.28Å; G445-L449 WeakPolarHBondContact O-CB 3.35Å; G445-L449 PolarHBondContact O-N 3.31Å
446D98.5Very high98.4Very high83 Ų8349.7 Ų49.744%0.44428%0.278SS..Hα-helixtrans-60.6-47176-61.7-54000111.5I442 T443 R444 C450I442-D446 HydrophobicContact CG1-CB 4.04Å; T443-D446 WeakPolarHBondContact CB-OD2 3.43Å; T443-D446 PolarHBondContact N-OD2 3.35Å; T443-D446 WeakPolarHBondContact O-CB 3.29Å; T443-D446 PolarHBondContact O-N 3.4Å; T443-D446 VanDerWaalsContact OG1-CG 3.24Å; T443-D446 PolarHBondContact OG1-N 3.39Å; T443-D446 PolarHBondContact OG1-OD2 3.28Å; R444-D446 VanDerWaalsContact C-N 3.32Å; R444-D446 PolarHBondContact O-N 3.24Å; D446-C450 WeakPolarHBondContact O-CB 3.39Å; D446-C450 PolarHBondContact O-N 2.91Å
447V98.7Very high98.3Very high3 Ų349.1 Ų49.12%0.01827%0.273CS..Hα-helixtrans-62.1-53.5179176.70000110.6I344 F347 L348 E351 I442 T443 R444 L449 C450 M451I344-V447 HydrophobicContact CG2-CG2 3.66Å; F347-V447 HydrophobicContact CD1-CB 4.01Å; F347-V447 HydrophobicContact CD1-CG1 3.82Å; F347-V447 HydrophobicContact CD1-CG2 4.29Å; F347-V447 HydrophobicContact CE1-CB 3.8Å; F347-V447 HydrophobicContact CE1-CG1 3.65Å; F347-V447 HydrophobicContact CZ-CG1 4.45Å; L348-V447 HydrophobicContact CB-CG1 4.3Å; L348-V447 HydrophobicContact CB-CG2 4.15Å; L348-V447 HydrophobicContact CD1-CG1 3.88Å; L348-V447 HydrophobicContact CD1-CG2 4.2Å; E351-V447 HydrophobicContact CB-CG1 4.25Å; E351-V447 HydrophobicContact CG-CG1 4.23Å; I442-V447 HydrophobicContact CD1-CG2 4.08Å; T443-V447 PolarHBondContact O-N 2.92Å; R444-V447 PolarHBondContact O-N 3.3Å; V447-L449 VanDerWaalsContact C-N 3.3Å; V447-L449 PolarHBondContact O-N 3.49Å; V447-C450 WeakPolarHBondContact O-CB 3.48Å; V447-C450 PolarHBondContact O-N 3.36Å; V447-C450 VanDerWaalsContact O-N 3.15Å; V447-M451 HydrophobicContact CG1-CG 4.36Å; V447-M451 WeakPolarHBondContact O-CG 3.48Å; V447-M451 PolarHBondContact O-N 2.97Å
448T98.4Very high98.2Very high76 Ų7647.3 Ų47.347%0.46626%0.257SS..Hα-helixtrans-57.9-43.1-178.8-58.60000111.9R444 K452R444-T448 PolarHBondContact O-N 3.32Å; R444-T448 PolarHBondContact O-OG1 3.4Å; R444-T448 VanDerWaalsContact O-OG1 3.11Å; T448-K452 WeakPolarHBondContact O-CB 3.34Å; T448-K452 PolarHBondContact O-N 2.84Å; T448-K452 VanDerWaalsContact O-N 3.09Å
449L98.4Very high98Very high74 Ų7453 Ų5339%0.38728%0.282SS..Hα-helixtrans-69.6-38.8179.2-173.958.9000111.9G445 V447 R453G445-L449 VanDerWaalsContact O-CB 3.28Å; G445-L449 WeakPolarHBondContact O-CB 3.35Å; G445-L449 PolarHBondContact O-N 3.31Å; V447-L449 VanDerWaalsContact C-N 3.3Å; V447-L449 PolarHBondContact O-N 3.49Å; L449-R453 HydrophobicContact CD1-CG 4.41Å; L449-R453 WeakPolarHBondContact O-CB 3Å; L449-R453 VanDerWaalsContact O-CG 3.29Å; L449-R453 WeakPolarHBondContact O-CG 3.39Å; L449-R453 PolarHBondContact O-N 2.94Å
450C98.3Very high97.7Very high24 Ų2452.5 Ų52.516%0.16228%0.278CS..Hα-helixtrans-59.3-50.7174.1-175.10000110.9D446 V447 K452 R453 L454D446-C450 WeakPolarHBondContact O-CB 3.39Å; D446-C450 PolarHBondContact O-N 2.91Å; V447-C450 WeakPolarHBondContact O-CB 3.48Å; V447-C450 PolarHBondContact O-N 3.36Å; V447-C450 VanDerWaalsContact O-N 3.15Å; C450-K452 PolarHBondContact O-N 3.31Å; C450-R453 PolarHBondContact O-N 2.9Å; C450-L454 VanDerWaalsContact O-CB 3.3Å; C450-L454 WeakPolarHBondContact O-CB 3.32Å; C450-L454 PolarHBondContact O-N 3.2Å
451M98.5Very high97.4Very high11 Ų1152.1 Ų52.15%0.05428%0.275CS..Hα-helixtrans-60.5-46.1-179.8-65.1-5699.300111.8L348 E351 L352 L355 V447 R453 L454 D455L348-M451 HydrophobicContact CD1-CE 4.13Å; E351-M451 HydrophobicContact CB-CG 3.91Å; E351-M451 HydrophobicContact CB-SD 4.21Å; L352-M451 HydrophobicContact CB-SD 4.38Å; L352-M451 HydrophobicContact CD1-CE 4.07Å; L352-M451 HydrophobicContact CD1-SD 4.14Å; L355-M451 HydrophobicContact CB-SD 4.4Å; L355-M451 HydrophobicContact CD1-CB 4.19Å; L355-M451 VanDerWaalsContact CD1-O 3.3Å; L355-M451 WeakPolarHBondContact CD1-O 3.06Å; L355-M451 HydrophobicContact CD1-SD 4.26Å; V447-M451 HydrophobicContact CG1-CG 4.36Å; V447-M451 WeakPolarHBondContact O-CG 3.48Å; V447-M451 PolarHBondContact O-N 2.97Å; M451-R453 VanDerWaalsContact C-N 3.3Å; M451-R453 PolarHBondContact O-N 2.94Å; M451-L454 HydrophobicContact CE-CD2 4.37Å; M451-L454 PolarHBondContact O-N 2.91Å; M451-D455 WeakPolarHBondContact O-CB 3.42Å; M451-D455 PolarHBondContact O-N 2.92Å
452K98.4Very high96.7Very high127 Ų12754.3 Ų54.355%0.55228%0.276SS*.Hα-helixtrans-58.1-41.1176.3-179.6178.9-179.9176.40112.6T448 C450 K456T448-K452 WeakPolarHBondContact O-CB 3.34Å; T448-K452 PolarHBondContact O-N 2.84Å; T448-K452 VanDerWaalsContact O-N 3.09Å; C450-K452 PolarHBondContact O-N 3.31Å; K452-K456 WeakPolarHBondContact O-CG 3.37Å; K452-K456 PolarHBondContact O-N 3.49Å
453R98.5Very high95.8Very high54 Ų5460 Ų6020%0.20430%0.3CS..Hα-helixtrans-74.3-39.8-179.6-72.9169.7171.9179-7.1111.2R398 Q399 V400 L449 C450 M451 K456 C457R398-R453 WeakPolarHBondContact O-CD 3.14Å; R398-R453 PolarHBondContact O-NE 2.9Å; R398-R453 PolarHBondContact O-NH1 3.43Å; Q399-R453 PolarHBondContact O-NH1 3.39Å; V400-R453 HydrophobicContact CG2-CB 3.8Å; V400-R453 HydrophobicContact CG2-CG 4.32Å; L449-R453 HydrophobicContact CD1-CG 4.41Å; L449-R453 WeakPolarHBondContact O-CB 3Å; L449-R453 VanDerWaalsContact O-CG 3.29Å; L449-R453 WeakPolarHBondContact O-CG 3.39Å; L449-R453 PolarHBondContact O-N 2.94Å; C450-R453 PolarHBondContact O-N 2.9Å; M451-R453 VanDerWaalsContact C-N 3.3Å; M451-R453 PolarHBondContact O-N 2.94Å; R453-K456 PolarHBondContact O-N 3.49Å; R453-C457 PolarHBondContact O-N 3.14Å; R453-C457 PolarHBondContact O-SG 3.26Å
454L98.2Very high94.4Very high1 Ų162.9 Ų62.91%0.00531%0.308CS..Hα-helixtrans-63.4-47.1176.8179.356.2000111.9L352 L355 M375 L391 L395 L434 C450 M451 K456 C457 L458L352-L454 HydrophobicContact CD1-CD2 4.2Å; L355-L454 HydrophobicContact CD1-CB 4.49Å; L355-L454 HydrophobicContact CD2-CD2 3.62Å; L355-L454 HydrophobicContact CD2-CG 3.83Å; M375-L454 HydrophobicContact SD-CD2 3.79Å; L391-L454 HydrophobicContact CD1-CD1 4.13Å; L391-L454 HydrophobicContact CD2-CD1 4.41Å; L395-L454 HydrophobicContact CD1-CD1 4.2Å; L395-L454 HydrophobicContact CD2-CB 4.22Å; L395-L454 HydrophobicContact CD2-CD1 4.08Å; L434-L454 HydrophobicContact CD1-CD1 3.74Å; L434-L454 HydrophobicContact CD1-CD2 4.33Å; L434-L454 HydrophobicContact CD2-CD2 4.39Å; C450-L454 VanDerWaalsContact O-CB 3.3Å; C450-L454 WeakPolarHBondContact O-CB 3.32Å; C450-L454 PolarHBondContact O-N 3.2Å; M451-L454 HydrophobicContact CE-CD2 4.37Å; M451-L454 PolarHBondContact O-N 2.91Å; L454-K456 VanDerWaalsContact C-N 3.33Å; L454-K456 PolarHBondContact O-N 3.05Å; L454-C457 WeakPolarHBondContact O-CB 3.31Å; L454-C457 PolarHBondContact O-N 3.38Å; L454-C457 VanDerWaalsContact O-N 3.11Å; L454-L458 HydrophobicContact CD1-CD1 4Å; L454-L458 HydrophobicContact CD1-CG 4.01Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.28Å
455D98.2Very high92.6Very high39 Ų3957.7 Ų57.721%0.20930%0.297CS..Hα-helixtrans-53.6-48.9174.2172.262.1000111.5L355 H359 M451 C457 L458 K459L355-D455 HydrophobicContact CD1-CB 3.79Å; H359-D455 IonicContact CE1-OD1 3.12Å; H359-D455 IonicContact NE2-OD1 2.68Å; H359-D455 PolarHBondContact NE2-OD1 2.96Å; H359-D455 VanDerWaalsContact NE2-OD1 3.1Å; M451-D455 WeakPolarHBondContact O-CB 3.42Å; M451-D455 PolarHBondContact O-N 2.92Å; D455-C457 PolarHBondContact O-N 3.11Å; D455-L458 PolarHBondContact O-N 2.98Å; D455-K459 WeakPolarHBondContact O-CB 3.49Å; D455-K459 WeakPolarHBondContact O-CG 3.48Å; D455-K459 PolarHBondContact O-N 3.13Å; D455-K459 WeakPolarHBondContact OD1-CE 3.38Å; D455-K459 IonicContact OD1-NZ 3.59Å; D455-K459 PolarHBondContact OD1-NZ 3.13Å; D455-K459 IonicContact OD2-NZ 3.63Å; D455-K459 PolarHBondContact OD2-NZ 3.2Å
456K97.8Very high90.6Very high119 Ų11963.6 Ų63.652%0.51731%0.31SS..Hα-helixtrans-60-42.7176.6-74.5-177.2178.3-166.60112.6K452 R453 L454 A460K452-K456 WeakPolarHBondContact O-CG 3.37Å; K452-K456 PolarHBondContact O-N 3.49Å; R453-K456 PolarHBondContact O-N 3.49Å; L454-K456 VanDerWaalsContact C-N 3.33Å; L454-K456 PolarHBondContact O-N 3.05Å; K456-A460 WeakPolarHBondContact O-CB 3.48Å; K456-A460 PolarHBondContact O-N 3.12Å; K456-A460 VanDerWaalsContact O-N 3.07Å
457C96.9Very high88.4Confident0 Ų063.3 Ų63.30%031%0.311CS..Hα-helixtrans-63.6-47.9177.6-70.20000111.6L391 M394 R398 R453 L454 D455 K459 A460 L461L391-C457 HydrophobicContact CD1-CB 3.57Å; M394-C457 HydrophobicContact CB-CB 4.41Å; M394-C457 HydrophobicContact CE-CB 4.19Å; R398-C457 WeakPolarHBondContact CD-SG 3.41Å; R453-C457 PolarHBondContact O-N 3.14Å; R453-C457 PolarHBondContact O-SG 3.26Å; L454-C457 WeakPolarHBondContact O-CB 3.31Å; L454-C457 PolarHBondContact O-N 3.38Å; L454-C457 VanDerWaalsContact O-N 3.11Å; D455-C457 PolarHBondContact O-N 3.11Å; C457-K459 PolarHBondContact O-N 2.84Å; C457-A460 PolarHBondContact O-N 3.23Å; C457-L461 WeakPolarHBondContact O-CG 3.3Å; C457-L461 PolarHBondContact O-N 3.45Å
458L95.5Very high85.9Confident4 Ų466.8 Ų66.82%0.02134%0.341CS..Hα-helixtrans-64.1-41.5-179.4-67.7171.8000111.7L355 H359 M375 L377 L380 L391 L454 D455 L461 K462L355-L458 HydrophobicContact CD2-CD1 3.92Å; H359-L458 HydrophobicContact CB-CD1 4.39Å; H359-L458 WeakPolarHBondContact CE1-CB 3.41Å; H359-L458 WeakPolarHBondContact ND1-CB 3.36Å; M375-L458 HydrophobicContact CE-CD1 4.36Å; L377-L458 HydrophobicContact CD2-CD2 4.37Å; L380-L458 HydrophobicContact CD2-CD2 4.28Å; L391-L458 HydrophobicContact CD1-CD2 4.2Å; L391-L458 HydrophobicContact CD2-CD2 3.89Å; L454-L458 HydrophobicContact CD1-CD1 4Å; L454-L458 HydrophobicContact CD1-CG 4.01Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.28Å; D455-L458 PolarHBondContact O-N 2.98Å; L458-L461 PolarHBondContact O-N 3.07Å; L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.01Å
459K94.5Very high83.3Confident120 Ų12066 Ų6652%0.52235%0.347SS..Hα-helixtrans-60.8-43.6174.2-77173.1177.3157.10112.1D455 C457 K462 K463D455-K459 WeakPolarHBondContact O-CB 3.49Å; D455-K459 WeakPolarHBondContact O-CG 3.48Å; D455-K459 PolarHBondContact O-N 3.13Å; D455-K459 WeakPolarHBondContact OD1-CE 3.38Å; D455-K459 IonicContact OD1-NZ 3.59Å; D455-K459 PolarHBondContact OD1-NZ 3.13Å; D455-K459 IonicContact OD2-NZ 3.63Å; D455-K459 PolarHBondContact OD2-NZ 3.2Å; C457-K459 PolarHBondContact O-N 2.84Å; K459-K462 PolarHBondContact O-N 3.02Å; K459-K463 PolarHBondContact O-N 3.22Å; K459-K463 VanDerWaalsContact O-N 3.13Å
460A93.4Very high80.5Confident30 Ų3066.4 Ų66.425%0.24836%0.356CS..Hα-helixtrans-64-44.417900000112M394 K456 C457 K463 H464M394-A460 HydrophobicContact CE-CB 3.93Å; K456-A460 WeakPolarHBondContact O-CB 3.48Å; K456-A460 PolarHBondContact O-N 3.12Å; K456-A460 VanDerWaalsContact O-N 3.07Å; C457-A460 PolarHBondContact O-N 3.23Å; A460-K463 PolarHBondContact O-N 3.36Å; A460-H464 PolarHBondContact O-N 3.08Å; A460-H464 PolarHBondContact O-ND1 3.32Å
461L91.4Very high77.5Confident10 Ų1070.5 Ų70.55%0.05238%0.384CS..Hα-helixtrans-64.8-41.1178.3-71.6168.6000112.2L380 A387 Q390 L391 M394 C457 L458 K463 H464 G465L380-L461 HydrophobicContact CD1-CB 3.84Å; L380-L461 HydrophobicContact CD1-CD1 4.08Å; L380-L461 HydrophobicContact CD2-CD1 4.18Å; A387-L461 HydrophobicContact CB-CD2 4.37Å; Q390-L461 HydrophobicContact CB-CD2 4.32Å; Q390-L461 HydrophobicContact CG-CD2 4.13Å; L391-L461 HydrophobicContact CB-CD1 3.82Å; L391-L461 HydrophobicContact CD1-CD1 4Å; L391-L461 HydrophobicContact CG-CD1 4.47Å; M394-L461 HydrophobicContact CE-CG 4.4Å; M394-L461 HydrophobicContact SD-CD1 3.98Å; M394-L461 HydrophobicContact SD-CD2 3.64Å; M394-L461 HydrophobicContact SD-CG 3.69Å; C457-L461 WeakPolarHBondContact O-CG 3.3Å; C457-L461 PolarHBondContact O-N 3.45Å; L458-L461 PolarHBondContact O-N 3.07Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 3.27Å; L461-H464 PolarHBondContact O-N 2.8Å; L461-G465 PolarHBondContact O-N 3.28Å; L461-G465 VanDerWaalsContact O-N 3.08Å
462K84.2Confident74.6Confident76 Ų7675.3 Ų75.333%0.3342%0.418SS..Hα-helixtrans-61.2-36.3174.5-75.4-177.4176.8-173.20112.9H359 L458 K459 K466H359-K462 PolarHBondContact O-NZ 3.44Å; L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.01Å; K459-K462 PolarHBondContact O-N 3.02Å; K462-K466 PolarHBondContact O-N 3.21Å
463K79.8Confident71.9Confident155 Ų15574.1 Ų74.167%0.67443%0.433SS*.Hα-helixtrans-66.8-42.6177.4-170.7177.1178.1-178.60111.8K459 A460 L461 K466 T467K459-K463 PolarHBondContact O-N 3.22Å; K459-K463 VanDerWaalsContact O-N 3.13Å; A460-K463 PolarHBondContact O-N 3.36Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 3.27Å; K463-K466 PolarHBondContact O-N 3.41Å; K463-T467 PolarHBondContact O-N 3.47Å; K463-T467 PolarHBondContact O-OG1 3.38Å
464H68.4Low68.7Low130 Ų13074.6 Ų74.660%0.60245%0.454SS*.Hα-helixtrans-68.9-36.7179.8-71.976.4000112.5A460 L461 K466 T467 A468A460-H464 PolarHBondContact O-N 3.08Å; A460-H464 PolarHBondContact O-ND1 3.32Å; L461-H464 PolarHBondContact O-N 2.8Å; H464-K466 VanDerWaalsContact C-N 3.34Å; H464-K466 PolarHBondContact O-N 3.29Å; H464-T467 WeakPolarHBondContact CA-OG1 3.4Å; H464-T467 PolarHBondContact O-N 3.39Å; H464-T467 PolarHBondContact O-OG1 2.94Å; H464-A468 PolarHBondContact O-N 3.15Å; H464-A468 VanDerWaalsContact O-N 3.16Å
465G59.8Low65.7Low29 Ų2980.7 Ų80.730%0.29949%0.494SS..Hα-helixtrans-63.6-35.8174.500000113.5L461 G469L461-G465 PolarHBondContact O-N 3.28Å; L461-G465 VanDerWaalsContact O-N 3.08Å; G465-G469 PolarHBondContact O-N 3.16Å
466K57.7Low63Low171 Ų17188.5 Ų88.574%0.74353%0.529SS*.Hα-helixtrans-70.8-36.4176.3-73.2-174178.1-170.60113.4K462 K463 H464 S470K462-K466 PolarHBondContact O-N 3.21Å; K463-K466 PolarHBondContact O-N 3.41Å; H464-K466 VanDerWaalsContact C-N 3.34Å; H464-K466 PolarHBondContact O-N 3.29Å; K466-S470 PolarHBondContact O-N 3.46Å
467T51.1Low59.9Low76 Ų7687 Ų8747%0.46654%0.539SS..Hα-helixtrans-74.1-29.3177.939.20000113.5K463 H464 S470K463-T467 PolarHBondContact O-N 3.47Å; K463-T467 PolarHBondContact O-OG1 3.38Å; H464-T467 WeakPolarHBondContact CA-OG1 3.4Å; H464-T467 PolarHBondContact O-N 3.39Å; H464-T467 PolarHBondContact O-OG1 2.94Å; T467-S470 PolarHBondContact O-OG 3.1Å; T467-S470 VanDerWaalsContact O-OG 3.1Å
468A46.9Very low56.8Low77 Ų7795 Ų9564%0.63658%0.582SS**Hα-helixtrans-72.4-32.4174.500000112.3H464 S470H464-A468 PolarHBondContact O-N 3.15Å; H464-A468 VanDerWaalsContact O-N 3.16Å; A468-S470 VanDerWaalsContact C-N 3.34Å
469G44Very low54Low58 Ų58103.9 Ų103.960%0.59862%0.623SS**THydrogen-bonded Turntrans-76.3-13.2175.700000115.1G465G465-G469 PolarHBondContact O-N 3.16Å
470S38.6Very low50.9Low84 Ų84107.8 Ų107.859%0.58764%0.643SS**THydrogen-bonded Turntrans-96.3-1.9179.962.20000114.6K466 T467 A468K466-S470 PolarHBondContact O-N 3.46Å; T467-S470 PolarHBondContact O-OG 3.1Å; T467-S470 VanDerWaalsContact O-OG 3.1Å; A468-S470 VanDerWaalsContact C-N 3.34Å
471C36.8Very low48Very low110 Ų110110.9 Ų110.974%0.74367%0.669SS**SBendtrans-1019.1-179-760000114.5
472S37.1Very low45.5Very low111 Ų111116 Ų11678%0.77670%0.703SS**SBendtrans-9725.2177.667.40000114.4
473A41.1Very low43Very low103 Ų103120.4 Ų120.485%0.85173%0.73SS**  trans-134.584.817100000109.5
474G31.1Very low40.8Very low64 Ų64122 Ų12266%0.6674%0.74SS**  trans-132.6146.1167.800000108.8
475P35.4Very low39.2Very low128 Ų128128.9 Ų128.983%0.83177%0.772SS**  trans-77.6151.4-146.531.2-34.7000114A477P475-A477 PolarHBondContact O-N 3.32Å
476Q40.8Very low38.2Very low203 Ų203133.9 Ų133.995%0.94980%0.796SS**  trans-52.1123.5162.8-78.1172.5-44.600109.5
477A33.4Very low37.2Very low89 Ų89131.9 Ų131.974%0.73680%0.799SS**  trans-130.5106.8165.100000107.8P475P475-A477 PolarHBondContact O-N 3.32Å
478D31.7Very low36.4Very low166 Ų166135 Ų13589%0.88882%0.817SS**  trans34.3134.2147.8-61.3-36000122.5
479Q36.5Very low35.8Very low191 Ų191138.4 Ų138.489%0.89383%0.828SS**  trans-57.5134.4166.9-66.2167.2-25.700111.4
480E30.8Very low35.3Very low202 Ų202143.4 Ų143.494%0.94484%0.842SS**  trans-148.2140.3143.6-112.5171.9-167.600109.4
481A31.9Very low35Very low96 Ų96147.4 Ų147.479%0.79386%0.859SS**  trans-80.8173.8-166.900000112.3
482P39.4Very low34.9Very low116 Ų116150.1 Ų150.175%0.75387%0.867SS**  trans-87.9148.7-164.936.2-30.8000112
483D30.6Very low34.8Very low170 Ų170153.1 Ų153.191%0.90987%0.874SS**  trans-123.1138.7159.9-89.4-29000110.9
484E33.9Very low34.2Very low189 Ų189157.3 Ų157.388%0.88388%0.876SS**  trans-69.8136-179.6-60.5172.2145.400112.1
485E35.2Very low34.5Very low273 Ų273165.7 Ų165.7100%1.27690%0.896SS**  178.20118.7-99.4-171166.100111.2

Retrieved 485 of 485 residues in 640.4 ms (Link to these results)

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