A0A3Q0KG92_SCHMA Loading...

Beta-1,4-galactosyltransferase AlphaSync

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A3Q0KG92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 432 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
1M39.3Very low49.6Very low240 Ų240148.2 Ų148.2100%1.18273%0.734SS**  025.30-81.8-161.3-8100115.3
2R44.2Very low50.9Low245 Ų245146.4 Ų146.493%0.92572%0.722SS**  trans-122.312-173.1-118.7-178.5-175.2-179.81.4117.6
3K46.2Very low52Low193 Ų193145.7 Ų145.784%0.83971%0.712SS**SBendtrans-120.6-5.1-176.3-82-171.3173.8-177.70117.4
4T49.6Very low53.2Low116 Ų116144 Ų14471%0.71271%0.707SS**SBendtrans-101.1-9.4-172.9-21.20000115
5I49.2Very low54.3Low131 Ų131147.1 Ų147.167%0.67271%0.708SS**SBendtrans-88.7-18-172.6-64.7176.9000113.4
6I51Low55.3Low143 Ų143142.4 Ų142.473%0.73369%0.687SS**Hα-helixtrans-85-26.2-172-62.1175.6000113.3
7F49.2Very low56.1Low183 Ų183138.1 Ų138.180%0.80367%0.668SS**Hα-helixtrans-79.5-25.5-176.4-95.4-84.2000115
8I50.9Low57.2Low120 Ų120134.6 Ų134.662%0.61566%0.66SS**Hα-helixtrans-77.5-26.6-176.5-60.8175.8000111.8
9H51Low58.4Low144 Ų144131.9 Ų131.967%0.66765%0.648SS**Hα-helixtrans-74.9-25.6179.3-84.870.6000113.7F13H9-F13 WeakPolarHBondContact O-CB 3.46Å; H9-F13 PolarHBondContact O-N 3.49Å
10G53.7Low59.4Low36 Ų36132.5 Ų132.537%0.37165%0.647SS.*Hα-helixtrans-72.2-41.7-179.600000114L14G10-L14 WeakPolarHBondContact O-CD1 3.44Å; G10-L14 WeakPolarHBondContact O-CG 3.45Å; G10-L14 PolarHBondContact O-N 3.09Å
11S60.9Low60.4Low79 Ų79135 Ų13555%0.55265%0.65SS**Hα-helixtrans-73.3-38.5-175.175.10000112.7R15S11-R15 WeakPolarHBondContact O-CB 3.31Å; S11-R15 PolarHBondContact O-N 3.18Å; S11-R15 VanDerWaalsContact O-N 3.09Å
12H65.2Low62.5Low127 Ų127127.2 Ų127.259%0.58862%0.618SS**Hα-helixtrans-66.3-41.7178.2-167.9-100.9000111.4R15 L16H12-R15 PolarHBondContact O-N 3Å; H12-L16 WeakPolarHBondContact CE1-CD1 3.4Å; H12-L16 WeakPolarHBondContact ND1-CD1 3.37Å; H12-L16 PolarHBondContact O-N 3.45Å
13F65.8Low64.4Low137 Ų137122.2 Ų122.260%0.60160%0.603SS**Hα-helixtrans-64.6-44.2177.8-172.8-107000112.4H9 R15 L16 L17H9-F13 WeakPolarHBondContact O-CB 3.46Å; H9-F13 PolarHBondContact O-N 3.49Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.44Å; F13-L16 PolarHBondContact O-N 3.36Å; F13-L17 HydrophobicContact CD1-CD1 3.59Å; F13-L17 HydrophobicContact CE1-CD1 3.19Å; F13-L17 HydrophobicContact CE2-CD1 4.26Å; F13-L17 HydrophobicContact CG-CD1 4.29Å; F13-L17 HydrophobicContact CZ-CD1 3.57Å; F13-L17 PolarHBondContact O-N 2.97Å
14L68.6Low66.3Low122 Ų122118.5 Ų118.564%0.63959%0.592SS**Hα-helixtrans-62.5-38.9175.6-76.5163.8000112.5G10 L17 S18G10-L14 WeakPolarHBondContact O-CD1 3.44Å; G10-L14 WeakPolarHBondContact O-CG 3.45Å; G10-L14 PolarHBondContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 2.87Å; L14-S18 WeakPolarHBondContact O-CB 3.45Å; L14-S18 PolarHBondContact O-N 3.3Å
15R70.4Confident68.2Low190 Ų190116.7 Ų116.772%0.71758%0.583SS**Hα-helixtrans-68.4-41178.2-146.8176.2-170.3-176.22.4111.7S11 H12 F13 S18 I19S11-R15 WeakPolarHBondContact O-CB 3.31Å; S11-R15 PolarHBondContact O-N 3.18Å; S11-R15 VanDerWaalsContact O-N 3.09Å; H12-R15 PolarHBondContact O-N 3Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.44Å; R15-S18 PolarHBondContact O-N 3.38Å; R15-I19 VanDerWaalsContact O-CG1 3.29Å; R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 2.99Å
16L69.7Low70.1Confident72 Ų72116 Ų11638%0.37758%0.578SS.*Hα-helixtrans-60.8-46.7172.6-97.3148.7000112H12 F13 S18 I19 F20H12-L16 WeakPolarHBondContact CE1-CD1 3.4Å; H12-L16 WeakPolarHBondContact ND1-CD1 3.37Å; H12-L16 PolarHBondContact O-N 3.45Å; F13-L16 PolarHBondContact O-N 3.36Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 3Å; L16-I19 PolarHBondContact O-N 3.38Å; L16-F20 HydrophobicContact CD2-CD2 4.32Å; L16-F20 HydrophobicContact CD2-CE2 4.12Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.37Å; L16-F20 PolarHBondContact O-N 3.46Å
17L68.2Low72Confident69 Ų69113.1 Ų113.136%0.36157%0.567SS.*Hα-helixtrans-60.4-41176.1-100.6143.9000112.6F13 L14 F20 R21F13-L17 HydrophobicContact CD1-CD1 3.59Å; F13-L17 HydrophobicContact CE1-CD1 3.19Å; F13-L17 HydrophobicContact CE2-CD1 4.26Å; F13-L17 HydrophobicContact CG-CD1 4.29Å; F13-L17 HydrophobicContact CZ-CD1 3.57Å; F13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 2.87Å; L17-F20 PolarHBondContact O-N 3.47Å; L17-R21 WeakPolarHBondContact O-CB 3.41Å; L17-R21 VanDerWaalsContact O-CG 3.31Å; L17-R21 WeakPolarHBondContact O-CG 3.28Å; L17-R21 PolarHBondContact O-N 2.9Å
18S76.8Confident74Confident76 Ų76108.3 Ų108.353%0.53155%0.553SS.*Hα-helixtrans-63-46.9175.3176.70000112L14 R15 L16 F20 R21 C22L14-S18 WeakPolarHBondContact O-CB 3.45Å; L14-S18 PolarHBondContact O-N 3.3Å; R15-S18 PolarHBondContact O-N 3.38Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 3Å; S18-F20 PolarHBondContact O-N 2.85Å; S18-R21 PolarHBondContact O-N 2.89Å; S18-C22 WeakPolarHBondContact O-CB 3.43Å; S18-C22 PolarHBondContact O-N 2.92Å
19I79Confident75.9Confident83 Ų83105.7 Ų105.743%0.42654%0.544SS..Hα-helixtrans-63.3-42177.3-67164000110.8R15 L16 C22 K23R15-I19 VanDerWaalsContact O-CG1 3.29Å; R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 2.99Å; L16-I19 PolarHBondContact O-N 3.38Å; I19-C22 PolarHBondContact O-N 3.31Å; I19-K23 HydrophobicContact CG2-CD 4.17Å; I19-K23 HydrophobicContact CG2-CG 4.38Å; I19-K23 WeakPolarHBondContact O-CB 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.43Å; I19-K23 PolarHBondContact O-N 3.46Å
20F78.9Confident77.9Confident144 Ų144102.5 Ų102.563%0.63254%0.535SS*.Hα-helixtrans-63-44.3176.1-99.2-81.2000112.1L16 L17 S18 C22 K23 L24L16-F20 HydrophobicContact CD2-CD2 4.32Å; L16-F20 HydrophobicContact CD2-CE2 4.12Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.37Å; L16-F20 PolarHBondContact O-N 3.46Å; L17-F20 PolarHBondContact O-N 3.47Å; S18-F20 PolarHBondContact O-N 2.85Å; F20-C22 VanDerWaalsContact C-N 3.34Å; F20-C22 PolarHBondContact O-N 3.35Å; F20-K23 PolarHBondContact O-N 3.44Å; F20-L24 VanDerWaalsContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CB 3.43Å; F20-L24 PolarHBondContact O-N 3.46Å
21R80.6Confident79.8Confident185 Ų185105.1 Ų105.170%0.69854%0.543SS*.Hα-helixtrans-61.6-42175-76.5177.9177-172.5-0.8111.8L17 S18 L24 C25L17-R21 WeakPolarHBondContact O-CB 3.41Å; L17-R21 VanDerWaalsContact O-CG 3.31Å; L17-R21 WeakPolarHBondContact O-CG 3.28Å; L17-R21 PolarHBondContact O-N 2.9Å; S18-R21 PolarHBondContact O-N 2.89Å; R21-L24 PolarHBondContact O-N 3.44Å; R21-C25 VanDerWaalsContact O-CB 3.29Å; R21-C25 WeakPolarHBondContact O-CB 3.38Å; R21-C25 PolarHBondContact O-N 2.88Å
22C82.7Confident81.2Confident77 Ų77104.4 Ų104.452%0.5254%0.536SS..Hα-helixtrans-66.8-45.8178.7-157.70000111.3S18 I19 F20 L24 C25 M26S18-C22 WeakPolarHBondContact O-CB 3.43Å; S18-C22 PolarHBondContact O-N 2.92Å; I19-C22 PolarHBondContact O-N 3.31Å; F20-C22 VanDerWaalsContact C-N 3.34Å; F20-C22 PolarHBondContact O-N 3.35Å; C22-L24 PolarHBondContact O-N 3.48Å; C22-C25 PolarHBondContact O-N 2.87Å; C22-M26 WeakPolarHBondContact O-CB 3.29Å; C22-M26 VanDerWaalsContact O-CG 3.27Å; C22-M26 WeakPolarHBondContact O-CG 3.27Å; C22-M26 PolarHBondContact O-N 3.33Å
23K84.6Confident82.5Confident139 Ų139100.6 Ų100.660%0.60453%0.526SS*.Hα-helixtrans-60.2-44.2173.8-75.4-176.6178.7-1740111.8I19 F20 M26 T27I19-K23 HydrophobicContact CG2-CD 4.17Å; I19-K23 HydrophobicContact CG2-CG 4.38Å; I19-K23 WeakPolarHBondContact O-CB 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.43Å; I19-K23 PolarHBondContact O-N 3.46Å; F20-K23 PolarHBondContact O-N 3.44Å; K23-M26 PolarHBondContact O-N 2.85Å; K23-T27 WeakPolarHBondContact O-CB 3.24Å; K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 PolarHBondContact O-OG1 3.43Å
24L87.1Confident83.7Confident116 Ų11698.4 Ų98.461%0.60752%0.52SS*.Hα-helixtrans-62.6-46.4177.6-175.965.9000111.1F20 R21 C22 T27 V28F20-L24 VanDerWaalsContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CB 3.43Å; F20-L24 PolarHBondContact O-N 3.46Å; R21-L24 PolarHBondContact O-N 3.44Å; C22-L24 PolarHBondContact O-N 3.48Å; L24-T27 PolarHBondContact O-N 3.39Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.88Å
25C88.4Confident84.5Confident77 Ų7798.9 Ų98.952%0.5252%0.517SS..Hα-helixtrans-60.5-47.6177.3-166.60000111.6R21 C22 T27 V28 C29R21-C25 VanDerWaalsContact O-CB 3.29Å; R21-C25 WeakPolarHBondContact O-CB 3.38Å; R21-C25 PolarHBondContact O-N 2.88Å; C22-C25 PolarHBondContact O-N 2.87Å; C25-T27 VanDerWaalsContact C-N 3.31Å; C25-T27 PolarHBondContact O-N 3.45Å; C25-V28 PolarHBondContact O-N 2.85Å; C25-C29 WeakPolarHBondContact O-CB 3.33Å; C25-C29 PolarHBondContact O-N 3.27Å; C25-C29 PolarHBondContact O-SG 2.9Å; C25-C29 VanDerWaalsContact O-SG 3.33Å
26M88.9Confident85.1Confident117 Ų11796.6 Ų96.658%0.57651%0.513SS*.Hα-helixtrans-60.5-40.4175.2-70.3-61.9-68.600112C22 K23 C29 V30C22-M26 WeakPolarHBondContact O-CB 3.29Å; C22-M26 VanDerWaalsContact O-CG 3.27Å; C22-M26 WeakPolarHBondContact O-CG 3.27Å; C22-M26 PolarHBondContact O-N 3.33Å; K23-M26 PolarHBondContact O-N 2.85Å; M26-C29 PolarHBondContact O-N 2.62Å; M26-V30 WeakPolarHBondContact O-CB 3.23Å; M26-V30 VanDerWaalsContact O-CG2 3.24Å; M26-V30 WeakPolarHBondContact O-CG2 3.39Å; M26-V30 PolarHBondContact O-N 3.22Å
27T90.8Very high85.8Confident83 Ų8397.5 Ų97.551%0.50952%0.517SS..Hα-helixtrans-64.2-46.4177.2-48.60000110.8K23 L24 C25 C29 V30 V31K23-T27 WeakPolarHBondContact O-CB 3.24Å; K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 PolarHBondContact O-OG1 3.43Å; L24-T27 PolarHBondContact O-N 3.39Å; C25-T27 VanDerWaalsContact C-N 3.31Å; C25-T27 PolarHBondContact O-N 3.45Å; T27-C29 PolarHBondContact O-N 3.33Å; T27-V30 PolarHBondContact O-N 2.91Å; T27-V31 HydrophobicContact CG2-CG2 4.4Å; T27-V31 WeakPolarHBondContact O-CB 3.47Å; T27-V31 VanDerWaalsContact O-CG2 3.23Å; T27-V31 WeakPolarHBondContact O-CG2 3.42Å; T27-V31 PolarHBondContact O-N 2.8Å
28V91.6Very high86.4Confident81 Ų8199.6 Ų99.649%0.49153%0.527SS..Hα-helixtrans-59.8-47.9176.31720000110.5L24 C25 V30 V31 T32L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.88Å; C25-V28 PolarHBondContact O-N 2.85Å; V28-V30 PolarHBondContact O-N 3.41Å; V28-V31 PolarHBondContact O-N 3.05Å; V28-T32 HydrophobicContact CG1-CG2 4.37Å; V28-T32 WeakPolarHBondContact O-CG2 3.31Å; V28-T32 PolarHBondContact O-N 2.89Å; V28-T32 PolarHBondContact O-OG1 3.42Å; V28-T32 VanDerWaalsContact O-OG1 3.05Å
29C91.6Very high86.2Confident65 Ų6598.1 Ų98.144%0.43952%0.52SS..Hα-helixtrans-58.9-44.7177.5-72.20000112.4C25 M26 T27 T32 A33C25-C29 WeakPolarHBondContact O-CB 3.33Å; C25-C29 PolarHBondContact O-N 3.27Å; C25-C29 PolarHBondContact O-SG 2.9Å; C25-C29 VanDerWaalsContact O-SG 3.33Å; M26-C29 PolarHBondContact O-N 2.62Å; T27-C29 PolarHBondContact O-N 3.33Å; C29-T32 VanDerWaalsContact CA-OG1 3.31Å; C29-T32 WeakPolarHBondContact CA-OG1 3.26Å; C29-T32 PolarHBondContact O-N 3.28Å; C29-T32 PolarHBondContact O-OG1 3.5Å; C29-A33 VanDerWaalsContact O-CB 3.26Å; C29-A33 WeakPolarHBondContact O-CB 3.36Å; C29-A33 PolarHBondContact O-N 3.3Å
30V92.8Very high85.9Confident78 Ų78101.5 Ų101.547%0.47353%0.534SS..Hα-helixtrans-65.5-43.6178.3169.50000111.2M26 T27 V28 A33 L34M26-V30 WeakPolarHBondContact O-CB 3.23Å; M26-V30 VanDerWaalsContact O-CG2 3.24Å; M26-V30 WeakPolarHBondContact O-CG2 3.39Å; M26-V30 PolarHBondContact O-N 3.22Å; T27-V30 PolarHBondContact O-N 2.91Å; V28-V30 PolarHBondContact O-N 3.41Å; V30-A33 PolarHBondContact O-N 3.32Å; V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CB 3.33Å; V30-L34 WeakPolarHBondContact O-CG 3.33Å; V30-L34 PolarHBondContact O-N 3.49Å
31V92.9Very high85.4Confident90 Ų90101.1 Ų101.155%0.54554%0.537SS..Hα-helixtrans-63.2-43.1176.3172.90000110.6T27 V28 L34 F35T27-V31 HydrophobicContact CG2-CG2 4.4Å; T27-V31 WeakPolarHBondContact O-CB 3.47Å; T27-V31 VanDerWaalsContact O-CG2 3.23Å; T27-V31 WeakPolarHBondContact O-CG2 3.42Å; T27-V31 PolarHBondContact O-N 2.8Å; V28-V31 PolarHBondContact O-N 3.05Å; V31-L34 PolarHBondContact O-N 2.83Å; V31-F35 WeakPolarHBondContact O-CB 3.12Å; V31-F35 PolarHBondContact O-N 2.82Å
32T91Very high84.6Confident65 Ų6595.5 Ų95.540%0.39953%0.527SS..Hα-helixtrans-65.8-40.7176.353.20000112.1V28 C29 F35 F36V28-T32 HydrophobicContact CG1-CG2 4.37Å; V28-T32 WeakPolarHBondContact O-CG2 3.31Å; V28-T32 PolarHBondContact O-N 2.89Å; V28-T32 PolarHBondContact O-OG1 3.42Å; V28-T32 VanDerWaalsContact O-OG1 3.05Å; C29-T32 VanDerWaalsContact CA-OG1 3.31Å; C29-T32 WeakPolarHBondContact CA-OG1 3.26Å; C29-T32 PolarHBondContact O-N 3.28Å; C29-T32 PolarHBondContact O-OG1 3.5Å; T32-F35 WeakPolarHBondContact O-CB 3.23Å; T32-F35 PolarHBondContact O-N 3.25Å; T32-F36 WeakPolarHBondContact O-CD2 3.46Å; T32-F36 PolarHBondContact O-N 3.42Å
33A91.7Very high83.2Confident46 Ų4698.7 Ų98.738%0.3854%0.539SS..Hα-helixtrans-66.4-44.3177.800000111.2C29 V30 F35 F36 I37C29-A33 VanDerWaalsContact O-CB 3.26Å; C29-A33 WeakPolarHBondContact O-CB 3.36Å; C29-A33 PolarHBondContact O-N 3.3Å; V30-A33 PolarHBondContact O-N 3.32Å; A33-F35 VanDerWaalsContact C-N 3.29Å; A33-F35 PolarHBondContact O-N 3.28Å; A33-F36 PolarHBondContact O-N 2.84Å; A33-I37 WeakPolarHBondContact O-CB 3.34Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.41Å; A33-I37 PolarHBondContact O-N 3.34Å
34L91.5Very high81.8Confident91 Ų91101.5 Ų101.548%0.47655%0.546SS..Hα-helixtrans-59.9-40.3173-77.5167.5000111.3V30 V31 I37 I38V30-L34 HydrophobicContact CG1-CD1 3.81Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CB 3.33Å; V30-L34 WeakPolarHBondContact O-CG 3.33Å; V30-L34 PolarHBondContact O-N 3.49Å; V31-L34 PolarHBondContact O-N 2.83Å; L34-I37 PolarHBondContact O-N 2.94Å; L34-I38 VanDerWaalsContact O-CB 3.3Å; L34-I38 WeakPolarHBondContact O-CB 3.23Å; L34-I38 WeakPolarHBondContact O-CD1 3.45Å; L34-I38 WeakPolarHBondContact O-CG1 3.22Å; L34-I38 PolarHBondContact O-N 2.84Å
35F86.3Confident80.6Confident132 Ų132100.8 Ų100.858%0.57955%0.548SS*.Hα-helixtrans-60.7-48.4174.4177.6-93.9000111.8V31 T32 A33 I38 A39V31-F35 WeakPolarHBondContact O-CB 3.12Å; V31-F35 PolarHBondContact O-N 2.82Å; T32-F35 WeakPolarHBondContact O-CB 3.23Å; T32-F35 PolarHBondContact O-N 3.25Å; A33-F35 VanDerWaalsContact C-N 3.29Å; A33-F35 PolarHBondContact O-N 3.28Å; F35-I38 PolarHBondContact O-N 2.92Å; F35-A39 WeakPolarHBondContact O-CB 3.16Å; F35-A39 PolarHBondContact O-N 3.49Å
36F83Confident79.9Confident142 Ų142101 Ų10162%0.62355%0.55SS**Hα-helixtrans-65.9-37.7177-77.9-68.2000112.8T32 A33 A39 H40T32-F36 WeakPolarHBondContact O-CD2 3.46Å; T32-F36 PolarHBondContact O-N 3.42Å; A33-F36 PolarHBondContact O-N 2.84Å; F36-A39 PolarHBondContact O-N 3.43Å; F36-H40 VanDerWaalsContact O-CB 3.22Å; F36-H40 WeakPolarHBondContact O-CB 3.4Å; F36-H40 PolarHBondContact O-N 3.19Å
37I83Confident79.8Confident91 Ų9196.8 Ų96.847%0.46753%0.528SS..Hα-helixtrans-65.7-47.3175.5-70.1165.7000110.3A33 L34 A39 H40 L41A33-I37 WeakPolarHBondContact O-CB 3.34Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.41Å; A33-I37 PolarHBondContact O-N 3.34Å; L34-I37 PolarHBondContact O-N 2.94Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.81Å; I37-H40 PolarHBondContact O-N 3.41Å; I37-L41 HydrophobicContact CG2-CD1 3.58Å; I37-L41 HydrophobicContact CG2-CG 4.13Å; I37-L41 VanDerWaalsContact O-CB 3.25Å; I37-L41 WeakPolarHBondContact O-CB 3.3Å; I37-L41 VanDerWaalsContact O-CG 3.22Å; I37-L41 WeakPolarHBondContact O-CG 3.22Å; I37-L41 PolarHBondContact O-N 2.86Å
38I81.1Confident79.9Confident113 Ų11393.3 Ų93.358%0.57951%0.506SS*.Hα-helixtrans-63.2-42.3177.1-69165.5000110.2L34 F35 L41 S42L34-I38 VanDerWaalsContact O-CB 3.3Å; L34-I38 WeakPolarHBondContact O-CB 3.23Å; L34-I38 WeakPolarHBondContact O-CD1 3.45Å; L34-I38 WeakPolarHBondContact O-CG1 3.22Å; L34-I38 PolarHBondContact O-N 2.84Å; F35-I38 PolarHBondContact O-N 2.92Å; I38-L41 PolarHBondContact O-N 3.48Å; I38-S42 VanDerWaalsContact O-CB 3.26Å; I38-S42 WeakPolarHBondContact O-CB 3.24Å; I38-S42 PolarHBondContact O-N 2.79Å; I38-S42 PolarHBondContact O-OG 3.28Å
39A73.4Confident80.1Confident46 Ų4691.7 Ų91.738%0.3850%0.497SS..Hα-helixtrans-62.2-42.8176.400000111.7F35 F36 I37 S42F35-A39 WeakPolarHBondContact O-CB 3.16Å; F35-A39 PolarHBondContact O-N 3.49Å; F36-A39 PolarHBondContact O-N 3.43Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.81Å; A39-S42 WeakPolarHBondContact CA-OG 3.37Å; A39-S42 CarbonylContact O-C 3.55Å; A39-S42 PolarHBondContact O-N 3.06Å; A39-S42 PolarHBondContact O-OG 3.4Å
40H71.5Confident80.2Confident154 Ų15493.8 Ų93.871%0.71350%0.496SS*.Hα-helixtrans-70.7-41.1178.1-168.657.4000112.7F36 I37 S42F36-H40 VanDerWaalsContact O-CB 3.22Å; F36-H40 WeakPolarHBondContact O-CB 3.4Å; F36-H40 PolarHBondContact O-N 3.19Å; I37-H40 PolarHBondContact O-N 3.41Å; H40-S42 VanDerWaalsContact C-N 3.29Å
41L68.4Low80.2Confident135 Ų13590.7 Ų90.771%0.70748%0.477SS*.Hα-helixtrans-70.5-26175.2-71.3174.8000112.3I37 I38 N43I37-L41 HydrophobicContact CG2-CD1 3.58Å; I37-L41 HydrophobicContact CG2-CG 4.13Å; I37-L41 VanDerWaalsContact O-CB 3.25Å; I37-L41 WeakPolarHBondContact O-CB 3.3Å; I37-L41 VanDerWaalsContact O-CG 3.22Å; I37-L41 WeakPolarHBondContact O-CG 3.22Å; I37-L41 PolarHBondContact O-N 2.86Å; I38-L41 PolarHBondContact O-N 3.48Å; L41-N43 PolarHBondContact O-N 2.99Å
42S64Low80.2Confident67 Ų6790.1 Ų90.147%0.46947%0.469SS..  trans-72.164.1163.6770000109I38 A39 H40 R44I38-S42 VanDerWaalsContact O-CB 3.26Å; I38-S42 WeakPolarHBondContact O-CB 3.24Å; I38-S42 PolarHBondContact O-N 2.79Å; I38-S42 PolarHBondContact O-OG 3.28Å; A39-S42 WeakPolarHBondContact CA-OG 3.37Å; A39-S42 CarbonylContact O-C 3.55Å; A39-S42 PolarHBondContact O-N 3.06Å; A39-S42 PolarHBondContact O-OG 3.4Å; H40-S42 VanDerWaalsContact C-N 3.29Å; S42-R44 PolarHBondContact O-N 3.14Å
43N54.7Low80Confident145 Ų14587.7 Ų87.778%0.77545%0.454SS*.  trans-71.157.9173.9-152.814.5000108.1L41L41-N43 PolarHBondContact O-N 2.99Å
44R55.2Low79.7Confident198 Ų19890 Ų9075%0.74746%0.46SS*.PPolyproline II helixtrans-58.6123.7174.5-83.2-170.1176.1-177.40.2105.3S42 S46S42-R44 PolarHBondContact O-N 3.14Å; R44-S46 PolarHBondContact O-N 2.96Å
45P60.4Low79.6Confident100 Ų10091.7 Ų91.765%0.64947%0.465SS*.PPolyproline II helixtrans-53.4140.7175.922.7-32.3000108.4R47P45-R47 PolarHBondContact O-N 3.38Å; P45-R47 VanDerWaalsContact O-N 3.09Å
46S74.6Confident79.7Confident82 Ų8287.4 Ų87.457%0.57345%0.448SS*.PPolyproline II helixtrans-53.5123.9178.5610000108.5R44 V48R44-S46 PolarHBondContact O-N 2.96Å; S46-V48 WeakPolarHBondContact CB-O 3.33Å; S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 PolarHBondContact OG-O 3.22Å
47R86.9Confident79.7Confident29 Ų2982 Ų8211%0.10943%0.427CS..SBendtrans-59.2-33.3175.1-169.5-159.9173.5166.2-6.2110.4P45 N222 S256 L260 K265 L266P45-R47 PolarHBondContact O-N 3.38Å; P45-R47 VanDerWaalsContact O-N 3.09Å; R47-N222 WeakPolarHBondContact CD-OD1 3.46Å; R47-N222 PolarHBondContact NH1-OD1 3.36Å; R47-S256 PolarHBondContact NH2-O 3.49Å; R47-S256 PolarHBondContact NH2-OG 3.03Å; R47-L260 HydrophobicContact CG-CD1 4.35Å; R47-K265 WeakPolarHBondContact O-CA 3.43Å; R47-K265 WeakPolarHBondContact O-CB 3.27Å; R47-L266 PolarHBondContact O-N 3.39Å
48V92.7Very high79.8Confident9 Ų982.1 Ų82.16%0.05543%0.428CS..EExtended strand (participates in β ladder)trans-86.7129.6175.5-178.80000109.9S46 Y50 L221 L266 R268S46-V48 WeakPolarHBondContact CB-O 3.33Å; S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 PolarHBondContact OG-O 3.22Å; V48-Y50 HydrophobicContact CG1-CE2 4.38Å; V48-L221 HydrophobicContact CB-CD1 4.12Å; V48-L221 HydrophobicContact CG2-CD1 3.52Å; V48-L221 HydrophobicContact CG2-CG 3.92Å; V48-L221 VanDerWaalsContact CG2-O 3.32Å; V48-L221 WeakPolarHBondContact CG2-O 3.44Å; V48-L266 CarbonylContact C-O 3.59Å; V48-L266 VanDerWaalsContact CA-O 3.26Å; V48-L266 WeakPolarHBondContact CA-O 3.36Å; V48-L266 HydrophobicContact CG2-CB 4.16Å; V48-L266 HydrophobicContact CG2-CD1 4.42Å; V48-R268 HydrophobicContact CG1-CG 4.4Å
49V94.4Very high79.8Confident48 Ų4881.8 Ų81.829%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-126.5135.4173.9177.10000107.9T51 K265 L266 T267 R268V49-T51 HydrophobicContact CG1-CG2 4.44Å; V49-K265 HydrophobicContact CG2-CD 3.73Å; V49-L266 PolarHBondContact N-O 3.43Å; V49-T267 HydrophobicContact CB-CG2 4.48Å; V49-T267 CarbonylContact O-C 3.6Å; V49-T267 VanDerWaalsContact O-CA 3.23Å; V49-T267 WeakPolarHBondContact O-CA 3.46Å; V49-R268 PolarHBondContact O-N 2.92Å
50Y94.3Very high80.4Confident108 Ų10887 Ų8742%0.42444%0.439SS..EExtended strand (participates in β ladder)trans-89.1131.1173.3-67.5-87.6000109.4V48 R268V48-Y50 HydrophobicContact CG1-CE2 4.38Å; Y50-R268 CarbonylContact C-O 3.25Å; Y50-R268 WeakPolarHBondContact CA-O 3.34Å; Y50-R268 HydrophobicContact CD1-CB 4.07Å; Y50-R268 HydrophobicContact CE1-CB 4.22Å
51T93.5Very high81.1Confident13 Ų1382.4 Ų82.48%0.0842%0.42CS..  trans-118.9117.5179.851.80000109.7V49 T267 R268V49-T51 HydrophobicContact CG1-CG2 4.44Å; T51-T267 HydrophobicContact CG2-CG2 3.87Å; T51-R268 PolarHBondContact N-O 3.46Å
52H92Very high82Confident79 Ų7978.2 Ų78.237%0.36640%0.401SS..  trans-75.6150.1174-86.7-94.4000110.9D54 E55 P270H52-D54 PolarHBondContact O-N 2.77Å; H52-D54 VanDerWaalsContact O-N 3.1Å; H52-E55 HydrophobicContact CB-CG 4.35Å; H52-E55 WeakPolarHBondContact O-CB 3.36Å; H52-E55 PolarHBondContact O-N 2.78Å; H52-P270 VanDerWaalsContact CE1-CG 3.42Å; H52-P270 WeakPolarHBondContact CE1-CG 3.46Å; H52-P270 WeakPolarHBondContact NE2-CG 3.26Å
53P87.7Confident83Confident14 Ų1479.7 Ų79.79%0.09141%0.412CS..Hα-helixtrans-52.4-35.4177.5-26.834.8000113.3E55 L56 E195 F197 I273P53-E55 VanDerWaalsContact C-N 3.26Å; P53-E55 PolarHBondContact O-N 3.48Å; P53-L56 PolarHBondContact O-N 3.09Å; P53-L56 VanDerWaalsContact O-N 3.17Å; P53-E195 HydrophobicContact CG-CB 4.28Å; P53-E195 WeakPolarHBondContact CG-O 3.45Å; P53-F197 HydrophobicContact CB-CD2 3.78Å; P53-F197 HydrophobicContact CB-CE2 3.5Å; P53-F197 HydrophobicContact CB-CG 4.48Å; P53-F197 HydrophobicContact CB-CZ 3.99Å; P53-I273 HydrophobicContact CG-CD1 3.91Å
54D85.9Confident84.5Confident95 Ų9577.2 Ų77.251%0.50840%0.398SS..Hα-helixtrans-63.3-25.6177.7-75.7-12.7000114.5H52 K59H52-D54 PolarHBondContact O-N 2.77Å; H52-D54 VanDerWaalsContact O-N 3.1Å; D54-K59 VanDerWaalsContact CB-CE 3.5Å; D54-K59 WeakPolarHBondContact OD1-CE 3.41Å; D54-K59 IonicContact OD1-NZ 2.61Å; D54-K59 PolarHBondContact OD1-NZ 3.48Å; D54-K59 VanDerWaalsContact OD1-NZ 3.17Å; D54-K59 IonicContact OD2-NZ 2.72Å; D54-K59 PolarHBondContact OD2-NZ 3.37Å
55E88.1Confident85.9Confident126 Ų12673.8 Ų73.859%0.58940%0.401SS*.Hα-helixtrans-85.2-16.9178.3-63.1166.6-156.800112.1H52 P53H52-E55 HydrophobicContact CB-CG 4.35Å; H52-E55 WeakPolarHBondContact O-CB 3.36Å; H52-E55 PolarHBondContact O-N 2.78Å; P53-E55 VanDerWaalsContact C-N 3.26Å; P53-E55 PolarHBondContact O-N 3.48Å
56L87.6Confident87Confident42 Ų4272.6 Ų72.622%0.2241%0.407CS..Hα-helixtrans-91.1-13.7-177.8-58.1173.1000112.9P53 I199 D201 R205P53-L56 PolarHBondContact O-N 3.09Å; P53-L56 VanDerWaalsContact O-N 3.17Å; L56-I199 HydrophobicContact CB-CD1 3.52Å; L56-I199 HydrophobicContact CB-CG1 4.48Å; L56-I199 HydrophobicContact CD1-CD1 3.99Å; L56-I199 HydrophobicContact CD1-CG1 4.21Å; L56-I199 HydrophobicContact CG-CD1 4.33Å; L56-D201 HydrophobicContact CD2-CB 4.34Å; L56-R205 VanDerWaalsContact CD1-CZ 3.42Å
57T83.9Confident87.4Confident29 Ų2970.7 Ų70.718%0.17839%0.394CS..SBendtrans-116.9134.7-178.3570000110.5K59 P72 F197T57-K59 PolarHBondContact O-N 3.01Å; T57-P72 HydrophobicContact CG2-CG 3.62Å; T57-F197 HydrophobicContact CG2-CD2 4.27Å; T57-F197 HydrophobicContact CG2-CE2 3.91Å
58D84.9Confident87.5Confident92 Ų9277.2 Ų77.249%0.49242%0.423SS..  trans-74.291.8172.5-172.9-22.8000109.9E60 L61 C62D58-E60 PolarHBondContact O-N 3.1Å; D58-E60 PolarHBondContact OD1-N 2.99Å; D58-E60 VanDerWaalsContact OD1-N 3.16Å; D58-L61 HydrophobicContact CB-CB 3.85Å; D58-L61 HydrophobicContact CB-CD2 4.43Å; D58-L61 PolarHBondContact O-N 3.36Å; D58-L61 WeakPolarHBondContact OD1-CB 3.42Å; D58-L61 PolarHBondContact OD1-N 3.49Å; D58-L61 WeakPolarHBondContact OD2-CB 3.44Å; D58-C62 WeakPolarHBondContact O-CB 3.42Å; D58-C62 PolarHBondContact O-N 3.07Å; D58-C62 PolarHBondContact O-SG 3.34Å
59K82Confident87.4Confident106 Ų10678.9 Ų78.946%0.46143%0.433SS..Hα-helixtrans-60.2-33.1-178.6-72.8-171.7176.9-176.60112.6D54 T57 S63D54-K59 VanDerWaalsContact CB-CE 3.5Å; D54-K59 WeakPolarHBondContact OD1-CE 3.41Å; D54-K59 IonicContact OD1-NZ 2.61Å; D54-K59 PolarHBondContact OD1-NZ 3.48Å; D54-K59 VanDerWaalsContact OD1-NZ 3.17Å; D54-K59 IonicContact OD2-NZ 2.72Å; D54-K59 PolarHBondContact OD2-NZ 3.37Å; T57-K59 PolarHBondContact O-N 3.01Å; K59-S63 VanDerWaalsContact O-CB 3.3Å; K59-S63 WeakPolarHBondContact O-CB 3.49Å; K59-S63 PolarHBondContact O-N 3.17Å; K59-S63 PolarHBondContact O-OG 2.82Å
60E86Confident87.2Confident155 Ų15576.9 Ų76.972%0.72442%0.421SS*.Hα-helixtrans-68.6-51.3179.9-171.8173.7179.900109.6D58 C62 S63 L64D58-E60 PolarHBondContact O-N 3.1Å; D58-E60 PolarHBondContact OD1-N 2.99Å; D58-E60 VanDerWaalsContact OD1-N 3.16Å; E60-C62 PolarHBondContact O-N 3.5Å; E60-S63 PolarHBondContact O-N 3.06Å; E60-L64 WeakPolarHBondContact O-CG 3.41Å; E60-L64 PolarHBondContact O-N 3.49Å
61L86.1Confident87Confident59 Ų5972.8 Ų72.831%0.30941%0.408SS..Hα-helixtrans-60-34.7175.8-175.161.2000112.9D58 S63 L64 S67 V69D58-L61 HydrophobicContact CB-CB 3.85Å; D58-L61 HydrophobicContact CB-CD2 4.43Å; D58-L61 PolarHBondContact O-N 3.36Å; D58-L61 WeakPolarHBondContact OD1-CB 3.42Å; D58-L61 PolarHBondContact OD1-N 3.49Å; D58-L61 WeakPolarHBondContact OD2-CB 3.44Å; L61-S63 VanDerWaalsContact C-N 3.35Å; L61-L64 HydrophobicContact CD1-CD1 4.12Å; L61-S67 WeakPolarHBondContact O-CB 3.35Å; L61-S67 PolarHBondContact O-OG 3.41Å; L61-S67 VanDerWaalsContact O-OG 3.06Å; L61-V69 HydrophobicContact CD1-CG2 4.04Å; L61-V69 HydrophobicContact CD2-CB 4.37Å; L61-V69 HydrophobicContact CD2-CG1 3.94Å; L61-V69 HydrophobicContact CD2-CG2 4.02Å; L61-V69 HydrophobicContact CG-CB 4.25Å; L61-V69 HydrophobicContact CG-CG1 4.27Å; L61-V69 HydrophobicContact CG-CG2 3.97Å
62C85.9Confident86.6Confident47 Ų4773.3 Ų73.332%0.31841%0.412SS..Hα-helixtrans-73.8-23.1175.7-69.90000114D58 E60 C71D58-C62 WeakPolarHBondContact O-CB 3.42Å; D58-C62 PolarHBondContact O-N 3.07Å; D58-C62 PolarHBondContact O-SG 3.34Å; E60-C62 PolarHBondContact O-N 3.5Å; C62-C71 WeakPolarHBondContact CA-SG 3.25Å; C62-C71 HydrophobicContact CB-CB 3.74Å; C62-C71 WeakPolarHBondContact CB-SG 3.47Å; C62-C71 WeakPolarHBondContact SG-CB 3.22Å; C62-C71 CovalentContact SG-SG 2.02Å; C62-C71 PolarHBondContact SG-SG 3.04Å
63S85.7Confident86.1Confident98 Ų9875.1 Ų75.169%0.68542%0.419SS*.Hα-helixtrans-92.2-9.4-179.7-57.10000113K59 E60 L61K59-S63 VanDerWaalsContact O-CB 3.3Å; K59-S63 WeakPolarHBondContact O-CB 3.49Å; K59-S63 PolarHBondContact O-N 3.17Å; K59-S63 PolarHBondContact O-OG 2.82Å; E60-S63 PolarHBondContact O-N 3.06Å; L61-S63 VanDerWaalsContact C-N 3.35Å
64L86.4Confident85.2Confident92 Ų9280.6 Ų80.648%0.48246%0.457SS..SBendtrans-65.9127.7-179.8-74176.4000111.7E60 L61 G66 S67E60-L64 WeakPolarHBondContact O-CG 3.41Å; E60-L64 PolarHBondContact O-N 3.49Å; L61-L64 HydrophobicContact CD1-CD1 4.12Å; L64-G66 PolarHBondContact O-N 3.2Å; L64-S67 WeakPolarHBondContact O-CB 3.39Å; L64-S67 PolarHBondContact O-N 3.28Å; L64-S67 VanDerWaalsContact O-N 3.12Å
65P83.6Confident84.5Confident127 Ų12778.4 Ų78.483%0.82546%0.457SS*.THydrogen-bonded Turntrans-63.5129.917824.1-31000110.8S67P65-S67 PolarHBondContact O-N 2.77Å
66G83.6Confident84.1Confident75 Ų7576.8 Ų76.877%0.77345%0.452SS*.THydrogen-bonded Turntrans76.24.3-178.100000114.9L64 K68L64-G66 PolarHBondContact O-N 3.2Å; G66-K68 PolarHBondContact O-N 2.78Å
67S83.5Confident84.2Confident42 Ų4277.2 Ų77.229%0.29445%0.454SS..  trans-54.7123.2171.3-177.80000110L61 L64 P65 V69L61-S67 WeakPolarHBondContact O-CB 3.35Å; L61-S67 PolarHBondContact O-OG 3.41Å; L61-S67 VanDerWaalsContact O-OG 3.06Å; L64-S67 WeakPolarHBondContact O-CB 3.39Å; L64-S67 PolarHBondContact O-N 3.28Å; L64-S67 VanDerWaalsContact O-N 3.12Å; P65-S67 PolarHBondContact O-N 2.77Å; S67-V69 WeakPolarHBondContact OG-CB 3.47Å; S67-V69 PolarHBondContact OG-N 3.45Å
68K88.6Confident84.6Confident165 Ų16580 Ų8072%0.71747%0.468SS*.  trans-87.110.5172.7-66.5-171.9179.4-179.50111.7G66 C109 V110G66-K68 PolarHBondContact O-N 2.78Å; K68-C109 CarbonylContact O-C 3.54Å; K68-C109 VanDerWaalsContact O-CA 3.26Å; K68-C109 WeakPolarHBondContact O-CA 3.13Å; K68-C109 WeakPolarHBondContact O-CB 3.19Å; K68-V110 PolarHBondContact O-N 2.97Å
69V90.7Very high85Confident44 Ų4475.8 Ų75.827%0.26745%0.445SS..BIsolated β-bridgetrans-78.4142.6-176.1-179.50000110.6L61 S67 C71 V110L61-V69 HydrophobicContact CD1-CG2 4.04Å; L61-V69 HydrophobicContact CD2-CB 4.37Å; L61-V69 HydrophobicContact CD2-CG1 3.94Å; L61-V69 HydrophobicContact CD2-CG2 4.02Å; L61-V69 HydrophobicContact CG-CB 4.25Å; L61-V69 HydrophobicContact CG-CG1 4.27Å; L61-V69 HydrophobicContact CG-CG2 3.97Å; S67-V69 WeakPolarHBondContact OG-CB 3.47Å; S67-V69 PolarHBondContact OG-N 3.45Å; V69-C71 PolarHBondContact O-N 3.47Å; V69-V110 CarbonylContact C-O 3.53Å; V69-V110 WeakPolarHBondContact CA-O 3.47Å
70C91.6Very high85.4Confident6 Ų675.6 Ų75.64%0.04145%0.453CS..  trans-73.7122.5174.6-670000111.7P107 C109 V110 N143 M144C70-P107 WeakPolarHBondContact SG-CG 3.14Å; C70-C109 WeakPolarHBondContact CA-SG 3.17Å; C70-C109 HydrophobicContact CB-CB 4.09Å; C70-C109 WeakPolarHBondContact CB-SG 3.48Å; C70-C109 WeakPolarHBondContact SG-CB 3.26Å; C70-C109 PolarHBondContact SG-O 3.08Å; C70-C109 VanDerWaalsContact SG-O 3.35Å; C70-C109 CovalentContact SG-SG 2.04Å; C70-C109 PolarHBondContact SG-SG 3.03Å; C70-V110 PolarHBondContact N-O 2.84Å; C70-V110 VanDerWaalsContact SG-C 3.53Å; C70-N143 VanDerWaalsContact CB-O 3.29Å; C70-N143 WeakPolarHBondContact CB-O 3.49Å; C70-M144 HydrophobicContact CB-CE 4.31Å; C70-M144 HydrophobicContact CB-SD 3.64Å; C70-M144 VanDerWaalsContact O-CE 3.32Å; C70-M144 WeakPolarHBondContact O-CE 3.43Å
71C89.5Confident85.7Confident22 Ų2274.1 Ų74.115%0.14945%0.446CS..  trans-130.7137.6-179.2-65.90000110.1C62 V69 N143C62-C71 WeakPolarHBondContact CA-SG 3.25Å; C62-C71 HydrophobicContact CB-CB 3.74Å; C62-C71 WeakPolarHBondContact CB-SG 3.47Å; C62-C71 WeakPolarHBondContact SG-CB 3.22Å; C62-C71 CovalentContact SG-SG 2.02Å; C62-C71 PolarHBondContact SG-SG 3.04Å; V69-C71 PolarHBondContact O-N 3.47Å; C71-N143 WeakPolarHBondContact O-CB 3.44Å; C71-N143 PolarHBondContact O-ND2 3.31Å; C71-N143 VanDerWaalsContact O-ND2 3.16Å
72P85.3Confident86.1Confident25 Ų2573.3 Ų73.316%0.16244%0.44CS..PPolyproline II helixtrans-57.6139.2173.5-26.837.8000111.7T57 Q142 F197T57-P72 HydrophobicContact CG2-CG 3.62Å; P72-Q142 WeakPolarHBondContact CA-O 3.25Å; P72-F197 HydrophobicContact CB-CE1 3.92Å; P72-F197 HydrophobicContact CB-CE2 3.94Å; P72-F197 HydrophobicContact CB-CZ 3.52Å; P72-F197 HydrophobicContact CG-CD2 4.29Å; P72-F197 HydrophobicContact CG-CE1 4.47Å; P72-F197 HydrophobicContact CG-CE2 3.88Å; P72-F197 HydrophobicContact CG-CZ 3.98Å
73K82Confident86.5Confident117 Ų11773.7 Ų73.751%0.50944%0.443SS..PPolyproline II helixtrans-74140.5-179.3-63.8179.1-178.8177.20111.7R141K73-R141 PolarHBondContact N-O 3.47Å; K73-R141 VanDerWaalsContact N-O 3.13Å; K73-R141 PolarHBondContact O-NE 2.95Å
74S68.3Low86.9Confident128 Ų12870.3 Ų70.390%0.89542%0.419SS*.SBendtrans-72.5129171.345.80000110.9
75G71.6Confident87.2Confident49 Ų4970.5 Ų70.551%0.50542%0.421SS..SBendtrans122.9128.3178.200000114.3R141G75-R141 PolarHBondContact O-NE 3.36Å; G75-R141 PolarHBondContact O-NH1 3.39Å; G75-R141 PolarHBondContact O-NH2 2.78Å
76D79.3Confident87.7Confident93 Ų9369.4 Ų69.450%0.49741%0.412SS..  trans-68.7134.3177.2-165.85.9000111.1R141 S194 E195D76-R141 IonicContact OD1-NH1 2.66Å; D76-S194 PolarHBondContact OD1-OG 3.13Å; D76-E195 WeakPolarHBondContact CA-OE1 3.3Å; D76-E195 VanDerWaalsContact CB-OE1 3.29Å; D76-E195 WeakPolarHBondContact CB-OE1 2.89Å; D76-E195 VanDerWaalsContact CG-OE1 3.23Å
77I89.1Confident88.2Confident51 Ų5168 Ų6826%0.26239%0.389SS..  trans-98.2121.2165.5-60.2179.1000106.9L79 R141 S194I77-L79 HydrophobicContact CG2-CD2 4.27Å; I77-L79 PolarHBondContact O-N 2.99Å; I77-R141 HydrophobicContact CD1-CB 3.61Å; I77-R141 HydrophobicContact CD1-CG 3.8Å; I77-R141 HydrophobicContact CG1-CG 4.26Å; I77-S194 PolarHBondContact N-OG 3.25Å; I77-S194 PolarHBondContact O-OG 2.88Å; I77-S194 VanDerWaalsContact O-OG 3.07Å
78D92.5Very high88.7Confident88 Ų8868.8 Ų68.847%0.47139%0.392SS..  trans-65.998.8173.4-178.113.1000110.6T80 Q81D78-T80 VanDerWaalsContact CG-OG1 3.24Å; D78-T80 PolarHBondContact O-N 3.23Å; D78-T80 WeakPolarHBondContact OD1-CA 3.08Å; D78-T80 WeakPolarHBondContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.34Å; D78-T80 PolarHBondContact OD1-N 2.74Å; D78-T80 PolarHBondContact OD1-OG1 3.48Å; D78-T80 PolarHBondContact OD2-OG1 2.6Å; D78-Q81 VanDerWaalsContact O-CG 3.22Å; D78-Q81 WeakPolarHBondContact O-CG 3.34Å; D78-Q81 PolarHBondContact O-NE2 3.09Å
79L94.1Very high89Confident2 Ų262.6 Ų62.61%0.0137%0.367CS..G310 helixtrans-74.5-10.3175.2-62.5-177.9000112.4I77 Q81 Y82 A137 L138 P191I77-L79 HydrophobicContact CG2-CD2 4.27Å; I77-L79 PolarHBondContact O-N 2.99Å; L79-Q81 PolarHBondContact O-N 2.77Å; L79-Y82 HydrophobicContact CD2-CD2 4.48Å; L79-Y82 HydrophobicContact CD2-CE2 4.19Å; L79-Y82 PolarHBondContact O-N 3.05Å; L79-A137 HydrophobicContact CD2-CB 4.42Å; L79-L138 HydrophobicContact CD1-CD1 4.16Å; L79-P191 HydrophobicContact CD1-CB 4.36Å; L79-P191 HydrophobicContact CD1-CG 4.42Å; L79-P191 WeakPolarHBondContact CD1-O 3.42Å
80T89.2Confident89.4Confident102 Ų10260.8 Ų60.863%0.62636%0.356SS*.G310 helixtrans-75.1-14.7178.278.10000112.7D78 Y82D78-T80 VanDerWaalsContact CG-OG1 3.24Å; D78-T80 PolarHBondContact O-N 3.23Å; D78-T80 WeakPolarHBondContact OD1-CA 3.08Å; D78-T80 WeakPolarHBondContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.34Å; D78-T80 PolarHBondContact OD1-N 2.74Å; D78-T80 PolarHBondContact OD1-OG1 3.48Å; D78-T80 PolarHBondContact OD2-OG1 2.6Å; T80-Y82 PolarHBondContact O-N 2.7Å
81Q92.9Very high89.5Confident124 Ų12460.5 Ų60.558%0.57935%0.354SS*.G310 helixtrans-59.6-25.517177.6-174.9-67.400112.9D78 L79D78-Q81 VanDerWaalsContact O-CG 3.22Å; D78-Q81 WeakPolarHBondContact O-CG 3.34Å; D78-Q81 PolarHBondContact O-NE2 3.09Å; L79-Q81 PolarHBondContact O-N 2.77Å
82Y94.7Very high89.8Confident42 Ų4261.7 Ų61.717%0.16536%0.359CS..SBendtrans-84.9137.9176.1-56.5-65.9000109.7L79 T80 P133 R134 A137L79-Y82 HydrophobicContact CD2-CD2 4.48Å; L79-Y82 HydrophobicContact CD2-CE2 4.19Å; L79-Y82 PolarHBondContact O-N 3.05Å; T80-Y82 PolarHBondContact O-N 2.7Å; Y82-P133 HydrophobicContact CD1-CB 3.69Å; Y82-P133 HydrophobicContact CD1-CG 4.16Å; Y82-P133 HydrophobicContact CE1-CB 3.79Å; Y82-P133 HydrophobicContact CG-CB 4.21Å; Y82-P133 HydrophobicContact CG-CG 4.38Å; Y82-R134 HydrophobicContact CD2-CG 3.73Å; Y82-R134 HydrophobicContact CG-CG 4.19Å; Y82-R134 PolarHBondContact O-NH2 3.49Å; Y82-A137 HydrophobicContact CE2-CB 4.09Å
83S93.8Very high90.4Very high55 Ų5560.6 Ų60.639%0.38535%0.351SS..  trans-64.9141.8176.8-173.20000111.4D85 T86 L130 R134S83-D85 PolarHBondContact OG-N 2.56Å; S83-T86 WeakPolarHBondContact CB-O 3.44Å; S83-T86 PolarHBondContact OG-N 2.74Å; S83-L130 VanDerWaalsContact O-CD2 3.31Å; S83-L130 WeakPolarHBondContact O-CD2 3.36Å; S83-R134 PolarHBondContact O-NH1 3.11Å; S83-R134 PolarHBondContact O-NH2 3.14Å
84S93.9Very high91.1Very high28 Ų2855.1 Ų55.120%0.19633%0.328CS..SBendtrans-93.5-6.5171.6-59.60000112.9L130 R134S84-L130 WeakPolarHBondContact O-CD1 3.28Å; S84-R134 PolarHBondContact OG-NH2 3.33Å
85D94Very high92.4Very high95 Ų9554.7 Ų54.751%0.50831%0.307SS..SBendtrans-125-39.3-170.5-66.7-60.9000113.1S83 P87 K126S83-D85 PolarHBondContact OG-N 2.56Å; D85-P87 WeakPolarHBondContact O-CD 3.49Å; D85-K126 WeakPolarHBondContact O-CE 3.09Å; D85-K126 PolarHBondContact O-NZ 3.42Å; D85-K126 VanDerWaalsContact O-NZ 3.1Å
86T94.2Very high93.5Very high105 Ų10555.9 Ų55.964%0.64430%0.304SS*.  trans-106.8103.1-175.6-540000109.8S83S83-T86 WeakPolarHBondContact CB-O 3.44Å; S83-T86 PolarHBondContact OG-N 2.74Å
87P93.5Very high94.3Very high46 Ų4651.5 Ų51.530%0.29928%0.281SS..PPolyproline II helixtrans-68.8151.9175.131.5-37.1000110.7D85 K126 K129 L130D85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-K126 HydrophobicContact CG-CG 4.03Å; P87-K129 HydrophobicContact CB-CB 3.5Å; P87-K129 HydrophobicContact CB-CD 4.22Å; P87-K129 HydrophobicContact CB-CG 4.49Å; P87-L130 HydrophobicContact CB-CD2 4.27Å; P87-L130 HydrophobicContact CB-CG 4.25Å
88T93.9Very high94.6Very high57 Ų5752.8 Ų52.835%0.3529%0.286SS..PPolyproline II helixtrans-100.2164.5165.1-164.90000110.4N92 L93 K129T88-N92 HydrophobicContact CG2-CB 4.06Å; T88-N92 WeakPolarHBondContact OG1-CB 3.32Å; T88-L93 HydrophobicContact CG2-CD2 3.42Å; T88-L93 VanDerWaalsContact CG2-CD2 3.42Å; T88-L93 HydrophobicContact CG2-CG 3.55Å; T88-K129 VanDerWaalsContact O-CD 3.31Å; T88-K129 WeakPolarHBondContact O-CD 3.46Å
89D95.7Very high94.8Very high36 Ų3650.8 Ų50.819%0.19327%0.274CS..PPolyproline II helixtrans-71.1166.7176.263.271.6000112.3L91 N92 L93 Y381 N385D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.28Å; D89-L91 WeakPolarHBondContact OD1-CB 3.37Å; D89-L91 PolarHBondContact OD1-N 3.36Å; D89-L91 VanDerWaalsContact OD1-N 3.1Å; D89-N92 PolarHBondContact O-N 3.39Å; D89-N92 WeakPolarHBondContact OD1-CB 3.4Å; D89-N92 PolarHBondContact OD1-N 3.02Å; D89-N92 PolarHBondContact OD1-ND2 3.27Å; D89-N92 PolarHBondContact OD2-ND2 3.37Å; D89-L93 VanDerWaalsContact O-CG 3.3Å; D89-L93 WeakPolarHBondContact O-CG 3.33Å; D89-L93 PolarHBondContact O-N 3.2Å; D89-Y381 PolarHBondContact OD1-OH 3.34Å; D89-Y381 PolarHBondContact OD2-OH 2.71Å; D89-N385 WeakPolarHBondContact CB-OD1 3.43Å
90F97.3Very high95Very high5 Ų550.7 Ų50.72%0.02227%0.274CS..Hα-helixtrans-68.5-29.7-174.6-67.4-64.2000113L93 L94 E125 K129 L132 N385 R389 L392 F393F90-L93 HydrophobicContact CD1-CD1 4Å; F90-L93 HydrophobicContact CE1-CD1 4.47Å; F90-L93 PolarHBondContact O-N 2.78Å; F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 PolarHBondContact O-N 2.71Å; F90-E125 HydrophobicContact CE2-CG 4.45Å; F90-E125 HydrophobicContact CZ-CG 4.11Å; F90-K129 HydrophobicContact CD1-CG 4.4Å; F90-K129 HydrophobicContact CE1-CG 3.85Å; F90-K129 VanDerWaalsContact CE2-CE 3.44Å; F90-K129 HydrophobicContact CZ-CD 4.38Å; F90-K129 HydrophobicContact CZ-CG 4.01Å; F90-L132 HydrophobicContact CD1-CD1 4.43Å; F90-L132 HydrophobicContact CE1-CD1 4.06Å; F90-N385 WeakPolarHBondContact CA-OD1 3.2Å; F90-N385 WeakPolarHBondContact CB-O 3.42Å; F90-N385 WeakPolarHBondContact CB-OD1 3.24Å; F90-N385 PolarHBondContact N-OD1 3.49Å; F90-R389 HydrophobicContact CB-CB 4.4Å; F90-R389 HydrophobicContact CD1-CB 4.36Å; F90-R389 HydrophobicContact CD1-CG 4.32Å; F90-R389 HydrophobicContact CD2-CB 3.78Å; F90-R389 HydrophobicContact CD2-CG 3.97Å; F90-R389 HydrophobicContact CE1-CG 4.12Å; F90-R389 HydrophobicContact CE2-CB 4.08Å; F90-R389 HydrophobicContact CE2-CG 3.73Å; F90-R389 HydrophobicContact CG-CB 3.93Å; F90-R389 HydrophobicContact CG-CG 4.26Å; F90-R389 HydrophobicContact CZ-CG 3.82Å; F90-L392 HydrophobicContact CB-CD1 4.11Å; F90-L392 HydrophobicContact CD1-CD1 3.81Å; F90-L392 HydrophobicContact CG-CD1 4.45Å; F90-L392 WeakPolarHBondContact O-CD1 3.32Å; F90-F393 AromaticContact CE1-CE1 3.93Å; F90-F393 HydrophobicContact CE1-CE1 3.93Å; F90-F393 HydrophobicContact CE1-CZ 4.49Å
91L95.7Very high95.3Very high0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-68.1-44.2177.3-175.957.8000111D89 L94 Y95 F343 L373 L376 Y381 L384 N385 S388D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.28Å; D89-L91 WeakPolarHBondContact OD1-CB 3.37Å; D89-L91 PolarHBondContact OD1-N 3.36Å; D89-L91 VanDerWaalsContact OD1-N 3.1Å; L91-L94 PolarHBondContact O-N 2.88Å; L91-Y95 PolarHBondContact O-N 3.42Å; L91-F343 HydrophobicContact CD1-CZ 3.94Å; L91-L373 HydrophobicContact CD2-CD2 3.89Å; L91-L373 HydrophobicContact CG-CD2 4.3Å; L91-L376 HydrophobicContact CD2-CD1 4.2Å; L91-Y381 HydrophobicContact CD2-CD2 3.76Å; L91-Y381 HydrophobicContact CD2-CE2 3.68Å; L91-Y381 HydrophobicContact CD2-CG 4.36Å; L91-L384 HydrophobicContact CD1-CB 4.17Å; L91-L384 HydrophobicContact CD2-CB 4.04Å; L91-N385 HydrophobicContact CB-CB 4.15Å; L91-N385 PolarHBondContact N-OD1 2.89Å; L91-S388 WeakPolarHBondContact CD1-OG 3.33Å
92N95.6Very high95.5Very high48 Ų4845.7 Ų45.726%0.25724%0.244SC..Hα-helixtrans-67.1-35174-80.4-41.3000112.3T88 D89 L94 Y95 V96 Y381T88-N92 HydrophobicContact CG2-CB 4.06Å; T88-N92 WeakPolarHBondContact OG1-CB 3.32Å; D89-N92 PolarHBondContact O-N 3.39Å; D89-N92 WeakPolarHBondContact OD1-CB 3.4Å; D89-N92 PolarHBondContact OD1-N 3.02Å; D89-N92 PolarHBondContact OD1-ND2 3.27Å; D89-N92 PolarHBondContact OD2-ND2 3.37Å; N92-L94 VanDerWaalsContact C-N 3.34Å; N92-Y95 WeakPolarHBondContact O-CB 3.41Å; N92-Y95 PolarHBondContact O-N 3.2Å; N92-V96 PolarHBondContact O-N 2.77Å; N92-Y381 PolarHBondContact ND2-OH 3.3Å
93L96.7Very high95.6Very high2 Ų243.7 Ų43.71%0.0124%0.236CC..Hα-helixtrans-62-41171.2-74.8178.2000112.4T88 D89 F90 Y95 V96 S97 K129 L132 P133 L392T88-L93 HydrophobicContact CG2-CD2 3.42Å; T88-L93 VanDerWaalsContact CG2-CD2 3.42Å; T88-L93 HydrophobicContact CG2-CG 3.55Å; D89-L93 VanDerWaalsContact O-CG 3.3Å; D89-L93 WeakPolarHBondContact O-CG 3.33Å; D89-L93 PolarHBondContact O-N 3.2Å; F90-L93 HydrophobicContact CD1-CD1 4Å; F90-L93 HydrophobicContact CE1-CD1 4.47Å; F90-L93 PolarHBondContact O-N 2.78Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-V96 WeakPolarHBondContact O-CG2 3.34Å; L93-V96 PolarHBondContact O-N 3.36Å; L93-S97 WeakPolarHBondContact O-CB 3.37Å; L93-S97 PolarHBondContact O-N 2.89Å; L93-S97 PolarHBondContact O-OG 3.29Å; L93-S97 VanDerWaalsContact O-OG 3.12Å; L93-K129 HydrophobicContact CD1-CB 4.16Å; L93-K129 HydrophobicContact CD1-CG 4.06Å; L93-L132 HydrophobicContact CD1-CB 4.32Å; L93-L132 HydrophobicContact CD1-CD1 4.15Å; L93-P133 HydrophobicContact CD2-CB 3.75Å; L93-P133 HydrophobicContact CD2-CG 3.55Å; L93-L392 HydrophobicContact CB-CD1 3.68Å; L93-L392 HydrophobicContact CB-CD2 4.46Å; L93-L392 HydrophobicContact CD1-CD1 4.35Å
94L96.4Very high95.8Very high2 Ų242.3 Ų42.31%0.0123%0.227CC..Hα-helixtrans-69.9-32.5176.1-172.461.9000111.9F90 L91 N92 V96 S97 Q98 F343 L344 T348 S388 E391 L392F90-L94 WeakPolarHBondContact O-CB 3.46Å; F90-L94 PolarHBondContact O-N 2.71Å; L91-L94 PolarHBondContact O-N 2.88Å; N92-L94 VanDerWaalsContact C-N 3.34Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 2.88Å; L94-S97 CarbonylContact O-C 3.57Å; L94-S97 VanDerWaalsContact O-C 3.22Å; L94-S97 PolarHBondContact O-N 2.72Å; L94-Q98 WeakPolarHBondContact O-CA 3.46Å; L94-Q98 PolarHBondContact O-N 3.12Å; L94-Q98 VanDerWaalsContact O-N 3.1Å; L94-F343 HydrophobicContact CG-CE2 4.47Å; L94-L344 HydrophobicContact CD2-CD2 3.58Å; L94-L344 HydrophobicContact CG-CD2 4.16Å; L94-T348 HydrophobicContact CD2-CG2 3.84Å; L94-S388 VanDerWaalsContact CD2-OG 3.31Å; L94-S388 WeakPolarHBondContact CD2-OG 3.45Å; L94-E391 HydrophobicContact CD1-CB 4.35Å; L94-E391 HydrophobicContact CD2-CB 4.37Å; L94-L392 HydrophobicContact CB-CD2 4.33Å; L94-L392 HydrophobicContact CB-CG 4.46Å; L94-L392 HydrophobicContact CD1-CD2 4.08Å; L94-L392 HydrophobicContact CD1-CG 4.37Å
95Y95.4Very high96Very high119 Ų11943.5 Ų43.547%0.46723%0.227SC..Hα-helixtrans-60.9-37.1172176.5-102000113L91 N92 L93 Q98 F343L91-Y95 PolarHBondContact O-N 3.42Å; N92-Y95 WeakPolarHBondContact O-CB 3.41Å; N92-Y95 PolarHBondContact O-N 3.2Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-Q98 WeakPolarHBondContact O-CG 3.45Å; Y95-Q98 PolarHBondContact O-NE2 3.13Å; Y95-F343 VanDerWaalsContact CA-CE2 3.48Å; Y95-F343 HydrophobicContact CD2-CB 4.1Å; Y95-F343 AromaticContact CD2-CD1 3.55Å; Y95-F343 HydrophobicContact CD2-CD1 3.55Å; Y95-F343 AromaticContact CD2-CD2 3.94Å; Y95-F343 HydrophobicContact CD2-CD2 3.94Å; Y95-F343 AromaticContact CD2-CE1 3.81Å; Y95-F343 HydrophobicContact CD2-CE1 3.81Å; Y95-F343 HydrophobicContact CD2-CE2 4.22Å; Y95-F343 AromaticContact CD2-CG 3.61Å; Y95-F343 HydrophobicContact CD2-CG 3.61Å; Y95-F343 HydrophobicContact CD2-CZ 4.16Å; Y95-F343 HydrophobicContact CE2-CB 4.27Å; Y95-F343 HydrophobicContact CE2-CD1 4.17Å; Y95-F343 HydrophobicContact CE2-CG 4.23Å
96V94.7Very high96.1Very high73 Ų7346.9 Ų46.944%0.44224%0.237SC..Hα-helixtrans-83.1-22.9174.4-58.80000112.7N92 L93 L94 P133N92-V96 PolarHBondContact O-N 2.77Å; L93-V96 WeakPolarHBondContact O-CG2 3.34Å; L93-V96 PolarHBondContact O-N 3.36Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 2.88Å; V96-P133 HydrophobicContact CG2-CB 4.18Å
97S96.5Very high96.1Very high2 Ų242.7 Ų42.71%0.01421%0.212CC..  trans-111.744.5-178.1-49.50000112.4L93 L94 H99 V100L93-S97 WeakPolarHBondContact O-CB 3.37Å; L93-S97 PolarHBondContact O-N 2.89Å; L93-S97 PolarHBondContact O-OG 3.29Å; L93-S97 VanDerWaalsContact O-OG 3.12Å; L94-S97 CarbonylContact O-C 3.57Å; L94-S97 VanDerWaalsContact O-C 3.22Å; L94-S97 PolarHBondContact O-N 2.72Å; S97-H99 PolarHBondContact O-N 2.79Å; S97-V100 WeakPolarHBondContact O-CG2 3.17Å; S97-V100 PolarHBondContact O-N 3.2Å
98Q96.4Very high96.1Very high78 Ų7844.9 Ų44.936%0.36424%0.243SC..THydrogen-bonded Turntrans-60.6-17.3-170.8-52-179.22.600114.6L94 Y95 V100 F343 N345L94-Q98 WeakPolarHBondContact O-CA 3.46Å; L94-Q98 PolarHBondContact O-N 3.12Å; L94-Q98 VanDerWaalsContact O-N 3.1Å; Y95-Q98 WeakPolarHBondContact O-CG 3.45Å; Y95-Q98 PolarHBondContact O-NE2 3.13Å; Q98-V100 VanDerWaalsContact C-N 3.34Å; Q98-F343 HydrophobicContact CG-CD2 4.11Å; Q98-N345 PolarHBondContact O-ND2 3.32Å
99H96.1Very high96.1Very high46 Ų4643.8 Ų43.821%0.21324%0.237CC..THydrogen-bonded Turntrans-76.7-21.1179.262.5-83.6000112.8S97 W105 L140 Y146S97-H99 PolarHBondContact O-N 2.79Å; H99-W105 AromaticContact CD2-CD1 3.78Å; H99-W105 AromaticContact CD2-CG 3.75Å; H99-W105 VanDerWaalsContact O-CD1 3.31Å; H99-L140 HydrophobicContact CB-CD1 4.41Å; H99-Y146 PolarHBondContact NE2-OH 2.63Å; H99-Y146 VanDerWaalsContact NE2-OH 3.08Å
100V97.5Very high96Very high0 Ų046.8 Ų46.80%026%0.256CS..  trans-75138.4-175-171.20000110.1S97 Q98 H136 N345 T348 E391S97-V100 WeakPolarHBondContact O-CG2 3.17Å; S97-V100 PolarHBondContact O-N 3.2Å; Q98-V100 VanDerWaalsContact C-N 3.34Å; V100-H136 HydrophobicContact CG2-CB 4.09Å; V100-H136 WeakPolarHBondContact CG2-ND1 3.25Å; V100-N345 PolarHBondContact O-ND2 2.88Å; V100-T348 PolarHBondContact O-OG1 2.88Å; V100-E391 VanDerWaalsContact CG1-O 3.28Å; V100-E391 WeakPolarHBondContact CG1-O 3.34Å
101C96.9Very high95.8Very high11 Ų1148 Ų487%0.07427%0.265CS..BIsolated β-bridgetrans-140.5136167.2-168.80000110.1G103 S104 C347 T348 N351C101-G103 PolarHBondContact O-N 3.32Å; C101-G103 VanDerWaalsContact O-N 3.13Å; C101-S104 PolarHBondContact N-O 2.93Å; C101-S104 CarbonylContact O-C 3.55Å; C101-S104 PolarHBondContact O-N 2.99Å; C101-S104 PolarHBondContact O-OG 3.43Å; C101-C347 HydrophobicContact CB-CB 3.73Å; C101-C347 WeakPolarHBondContact CB-SG 3.31Å; C101-C347 VanDerWaalsContact SG-C 3.52Å; C101-C347 WeakPolarHBondContact SG-CB 3.18Å; C101-C347 CovalentContact SG-SG 2.02Å; C101-C347 PolarHBondContact SG-SG 3.05Å; C101-T348 PolarHBondContact SG-N 3.22Å; C101-N351 PolarHBondContact SG-ND2 3.08Å
102E96Very high95.5Very high110 Ų11053.1 Ų53.151%0.51430%0.297SS..THydrogen-bonded Turntrans48.838.1-178-55.6-169.3128.500113.9S104 N351 E391 I394E102-S104 PolarHBondContact O-N 2.9Å; E102-N351 WeakPolarHBondContact CG-ND2 3.43Å; E102-E391 PolarHBondContact N-O 3.44Å; E102-E391 PolarHBondContact N-OE2 3.16Å; E102-I394 WeakPolarHBondContact O-CG1 3.22Å
103G97.7Very high95.5Very high0 Ų052.9 Ų52.90%029%0.294CS..THydrogen-bonded Turntrans69.517.9-178.100000115.1C101 Y147 V148 E391 F393C101-G103 PolarHBondContact O-N 3.32Å; C101-G103 VanDerWaalsContact O-N 3.13Å; G103-Y147 CarbonylContact O-C 3.54Å; G103-Y147 WeakPolarHBondContact O-CA 3.41Å; G103-V148 PolarHBondContact O-N 2.79Å; G103-E391 PolarHBondContact N-O 3.12Å; G103-F393 VanDerWaalsContact CA-CA 3.42Å
104S98.1Very high95.6Very high26 Ų2654.8 Ų54.818%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-138.7161.2-174.5740000112.5C101 E102 Y146 Y147C101-S104 PolarHBondContact N-O 2.93Å; C101-S104 CarbonylContact O-C 3.55Å; C101-S104 PolarHBondContact O-N 2.99Å; C101-S104 PolarHBondContact O-OG 3.43Å; E102-S104 PolarHBondContact O-N 2.9Å; S104-Y146 VanDerWaalsContact CA-O 3.26Å; S104-Y146 WeakPolarHBondContact CA-O 3.44Å; S104-Y146 WeakPolarHBondContact CB-O 3.31Å; S104-Y147 VanDerWaalsContact CB-CD1 3.46Å
105W97.6Very high95.7Very high53 Ų5354.7 Ų54.720%0.20130%0.302CS..EExtended strand (participates in β ladder)trans-151.4149.7166175.185000109.5H99 P107 L140 P145 Y146H99-W105 AromaticContact CD2-CD1 3.78Å; H99-W105 AromaticContact CD2-CG 3.75Å; H99-W105 VanDerWaalsContact O-CD1 3.31Å; W105-P107 HydrophobicContact CH2-CB 3.59Å; W105-P107 HydrophobicContact CH2-CG 4.31Å; W105-P107 HydrophobicContact CZ2-CB 4.22Å; W105-P107 HydrophobicContact CZ3-CB 4.03Å; W105-P107 HydrophobicContact CZ3-CG 4.26Å; W105-L140 HydrophobicContact CD2-CD1 3.67Å; W105-L140 HydrophobicContact CE3-CD1 3.98Å; W105-L140 HydrophobicContact CG-CD1 4.34Å; W105-L140 HydrophobicContact CH2-CD1 3.69Å; W105-L140 HydrophobicContact CZ2-CD1 3.38Å; W105-L140 HydrophobicContact CZ3-CD1 3.98Å; W105-P145 WeakPolarHBondContact O-CA 3.31Å; W105-Y146 HydrophobicContact CB-CD1 4.26Å; W105-Y146 HydrophobicContact CB-CE1 3.59Å; W105-Y146 HydrophobicContact CD2-CE1 4.36Å; W105-Y146 HydrophobicContact CE3-CD1 4.12Å; W105-Y146 AromaticContact CE3-CE1 3.9Å; W105-Y146 HydrophobicContact CE3-CE1 3.9Å; W105-Y146 HydrophobicContact CG-CE1 4.3Å; W105-Y146 PolarHBondContact N-O 3.03Å; W105-Y146 VanDerWaalsContact N-O 3.16Å; W105-Y146 PolarHBondContact O-N 3.01Å
106K96.7Very high95.8Very high165 Ų16549 Ų4972%0.71728%0.279SS*.  trans-138141.7174.566.9-178.9-178.4-177.90111.7P145K106-P145 HydrophobicContact CB-CB 3.97Å
107P94.9Very high96Very high18 Ų1845.5 Ų45.512%0.11726%0.258CS..  trans-78170.2171.535.8-38.6000111.8C70 W105 C109 N143C70-P107 WeakPolarHBondContact SG-CG 3.14Å; W105-P107 HydrophobicContact CH2-CB 3.59Å; W105-P107 HydrophobicContact CH2-CG 4.31Å; W105-P107 HydrophobicContact CZ2-CB 4.22Å; W105-P107 HydrophobicContact CZ3-CB 4.03Å; W105-P107 HydrophobicContact CZ3-CG 4.26Å; P107-C109 VanDerWaalsContact C-N 3.28Å; P107-C109 WeakPolarHBondContact CB-SG 3.34Å; P107-C109 WeakPolarHBondContact CG-SG 3.48Å; P107-N143 WeakPolarHBondContact CB-OD1 3.38Å
108G93.2Very high96.2Very high92 Ų9245.4 Ų45.495%0.94826%0.258SS*.SBendtrans-81.9-0.3171.600000114.8
109C93.8Very high96.3Very high34 Ų3441.7 Ų41.723%0.2324%0.24CC..SBendtrans-88.7166.9175.8550000111.8K68 C70 P107K68-C109 CarbonylContact O-C 3.54Å; K68-C109 VanDerWaalsContact O-CA 3.26Å; K68-C109 WeakPolarHBondContact O-CA 3.13Å; K68-C109 WeakPolarHBondContact O-CB 3.19Å; C70-C109 WeakPolarHBondContact CA-SG 3.17Å; C70-C109 HydrophobicContact CB-CB 4.09Å; C70-C109 WeakPolarHBondContact CB-SG 3.48Å; C70-C109 WeakPolarHBondContact SG-CB 3.26Å; C70-C109 PolarHBondContact SG-O 3.08Å; C70-C109 VanDerWaalsContact SG-O 3.35Å; C70-C109 CovalentContact SG-SG 2.04Å; C70-C109 PolarHBondContact SG-SG 3.03Å; P107-C109 VanDerWaalsContact C-N 3.28Å; P107-C109 WeakPolarHBondContact CB-SG 3.34Å; P107-C109 WeakPolarHBondContact CG-SG 3.48Å
110V92.5Very high96.4Very high98 Ų9839.7 Ų39.759%0.59423%0.231SC*.BIsolated β-bridgetrans-89.4116.6174.2-177.10000108.8K68 V69 C70K68-V110 PolarHBondContact O-N 2.97Å; V69-V110 CarbonylContact C-O 3.53Å; V69-V110 WeakPolarHBondContact CA-O 3.47Å; C70-V110 PolarHBondContact N-O 2.84Å; C70-V110 VanDerWaalsContact SG-C 3.53Å
111S93.1Very high96.4Very high31 Ų3140.1 Ų40.122%0.21723%0.233CC..PPolyproline II helixtrans-101.5143.5176.6-178.40000111.5Q113 M144S111-Q113 VanDerWaalsContact C-N 3.32Å; S111-Q113 WeakPolarHBondContact CB-O 3.44Å; S111-Q113 PolarHBondContact OG-N 2.75Å; S111-Q113 PolarHBondContact OG-O 2.6Å; S111-M144 PolarHBondContact OG-SD 3.33Å
112T91Very high96.4Very high108 Ų10841.7 Ų41.766%0.66324%0.237SC*.SBendtrans-78.4-18.8169.155.90000112.5N180T112-N180 PolarHBondContact O-ND2 2.9Å
113Q94.8Very high96.3Very high42 Ų4244 Ų4420%0.19625%0.248CC..  trans-124.9139.2-179.4-61.5-16933.600112.3S111 P145 N180 C200S111-Q113 VanDerWaalsContact C-N 3.32Å; S111-Q113 WeakPolarHBondContact CB-O 3.44Å; S111-Q113 PolarHBondContact OG-N 2.75Å; S111-Q113 PolarHBondContact OG-O 2.6Å; Q113-P145 WeakPolarHBondContact O-CD 3.39Å; Q113-P145 VanDerWaalsContact O-CG 3.32Å; Q113-P145 WeakPolarHBondContact O-CG 3.3Å; Q113-N180 VanDerWaalsContact CA-OD1 3.25Å; Q113-N180 WeakPolarHBondContact CA-OD1 3.48Å; Q113-C200 PolarHBondContact NE2-O 3.25Å; Q113-C200 PolarHBondContact OE1-O 3.5Å
114K97.9Very high96.2Very high42 Ų4246.1 Ų46.118%0.18326%0.256CS..  trans-121.4118.4170.3-173.7-174.3-73.9-178.20108P145 Y147 D176 D178 I179 N180 C181K114-P145 HydrophobicContact CB-CG 4.29Å; K114-P145 HydrophobicContact CG-CB 4.33Å; K114-P145 HydrophobicContact CG-CG 4.31Å; K114-Y147 HydrophobicContact CD-CE2 3.91Å; K114-Y147 HydrophobicContact CG-CD2 4.45Å; K114-Y147 HydrophobicContact CG-CE2 4Å; K114-D176 HydrophobicContact CD-CB 4.46Å; K114-D176 VanDerWaalsContact CD-CG 3.44Å; K114-D176 WeakPolarHBondContact CD-OD1 3.15Å; K114-D176 WeakPolarHBondContact CD-OD2 3.45Å; K114-D176 WeakPolarHBondContact CE-OD2 3.45Å; K114-D176 IonicContact NZ-OD1 3.08Å; K114-D176 PolarHBondContact NZ-OD1 2.79Å; K114-D176 IonicContact NZ-OD2 3.69Å; K114-D176 PolarHBondContact NZ-OD2 3.1Å; K114-D178 HydrophobicContact CD-CB 4.38Å; K114-D178 IonicContact NZ-OD2 2.84Å; K114-I179 HydrophobicContact CD-CG1 3.8Å; K114-I179 HydrophobicContact CG-CG1 3.91Å; K114-N180 PolarHBondContact N-OD1 3.04Å; K114-N180 PolarHBondContact O-N 2.87Å; K114-N180 VanDerWaalsContact O-N 3.12Å; K114-N180 PolarHBondContact O-OD1 2.77Å; K114-C181 PolarHBondContact O-N 2.86Å
115I98.6Very high96.1Very high0 Ų048.9 Ų48.90%027%0.266CS..EExtended strand (participates in β ladder)trans-99.9133.4-161.9-60.5156.1000110.3V117 M144 P145 Y146 Y147 C181 I183 Y198 I199I115-V117 HydrophobicContact CG2-CG2 4.2Å; I115-M144 HydrophobicContact CD1-CB 3.53Å; I115-M144 HydrophobicContact CD1-CG 4.17Å; I115-P145 PolarHBondContact N-O 3.38Å; I115-Y146 CarbonylContact O-C 3.56Å; I115-Y146 VanDerWaalsContact O-CA 3.27Å; I115-Y146 WeakPolarHBondContact O-CA 3.37Å; I115-Y147 PolarHBondContact O-N 3.28Å; I115-C181 CarbonylContact C-O 3.56Å; I115-C181 WeakPolarHBondContact CA-O 3.49Å; I115-C181 HydrophobicContact CG1-CB 4.28Å; I115-I183 HydrophobicContact CG2-CD1 4.29Å; I115-I183 HydrophobicContact CG2-CG1 3.59Å; I115-Y198 VanDerWaalsContact CD1-O 3.22Å; I115-Y198 WeakPolarHBondContact CD1-O 3.28Å; I115-I199 HydrophobicContact CD1-CG2 4.29Å
116A98.9Very high96.1Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-113.6113.3166.300000109.9I118 F149 A172 I179 C181 F182 I183A116-I118 HydrophobicContact CB-CG1 4.48Å; A116-F149 HydrophobicContact CB-CD2 4Å; A116-F149 HydrophobicContact CB-CE2 3.74Å; A116-A172 HydrophobicContact CB-CB 3.86Å; A116-I179 HydrophobicContact CB-CD1 4.22Å; A116-I179 HydrophobicContact CB-CG2 3.7Å; A116-C181 PolarHBondContact N-O 3.36Å; A116-F182 HydrophobicContact CB-CD1 3.84Å; A116-F182 HydrophobicContact CB-CE1 4.13Å; A116-F182 WeakPolarHBondContact O-CA 3.07Å; A116-I183 PolarHBondContact O-N 2.83Å
117V98.9Very high96.2Very high0 Ų043.8 Ų43.80%025%0.246CC..EExtended strand (participates in β ladder)trans-87.4112.3168.1-171.90000108.4I115 I119 L135 L139 Y147 F149 I183 H185 Y198I115-V117 HydrophobicContact CG2-CG2 4.2Å; V117-I119 HydrophobicContact CG1-CD1 4.39Å; V117-I119 HydrophobicContact CG1-CG1 4.12Å; V117-L135 HydrophobicContact CG1-CD1 4.25Å; V117-L135 HydrophobicContact CG1-CD2 4.07Å; V117-L135 HydrophobicContact CG2-CD1 4.47Å; V117-L139 HydrophobicContact CG2-CD1 3.89Å; V117-L139 HydrophobicContact CG2-CD2 4.32Å; V117-Y147 PolarHBondContact N-O 2.78Å; V117-F149 PolarHBondContact O-N 2.9Å; V117-I183 CarbonylContact C-O 3.38Å; V117-I183 WeakPolarHBondContact CA-O 3.18Å; V117-I183 HydrophobicContact CB-CB 4.43Å; V117-I183 HydrophobicContact CG1-CB 4.36Å; V117-I183 HydrophobicContact CG2-CB 4.11Å; V117-I183 HydrophobicContact CG2-CG1 4.14Å; V117-H185 HydrophobicContact CG1-CB 3.94Å; V117-Y198 HydrophobicContact CG2-CD1 4.27Å
118I98.9Very high96.3Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-103.9117.4-178.1-59165.8000108.5A116 I151 F165 G168 V169 F182 I183 F184 H185A116-I118 HydrophobicContact CB-CG1 4.48Å; I118-I151 HydrophobicContact CG2-CG1 3.82Å; I118-F165 HydrophobicContact CB-CD1 4.41Å; I118-F165 HydrophobicContact CG2-CD1 3.97Å; I118-F165 WeakPolarHBondContact O-CE1 3.33Å; I118-G168 VanDerWaalsContact CD1-C 3.44Å; I118-V169 HydrophobicContact CD1-CB 4.41Å; I118-V169 HydrophobicContact CD1-CG2 3.71Å; I118-F182 HydrophobicContact CD1-CD1 3.74Å; I118-F182 HydrophobicContact CD1-CE1 4.46Å; I118-I183 PolarHBondContact N-O 2.83Å; I118-F184 HydrophobicContact CB-CD1 4.49Å; I118-F184 HydrophobicContact CD1-CD1 4.32Å; I118-F184 HydrophobicContact CD1-CE1 3.92Å; I118-H185 PolarHBondContact O-N 3.38Å
119I98.9Very high96.5Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-115.3103.3-176.8-57.3169.3000108.7V117 L131 L135 V148 F149 V150 I151 H185 V187V117-I119 HydrophobicContact CG1-CD1 4.39Å; V117-I119 HydrophobicContact CG1-CG1 4.12Å; I119-L131 HydrophobicContact CD1-CD2 3.87Å; I119-L135 HydrophobicContact CD1-CD2 3.89Å; I119-V148 HydrophobicContact CD1-CG1 3.84Å; I119-F149 PolarHBondContact N-O 2.95Å; I119-V150 HydrophobicContact CB-CG2 4.46Å; I119-V150 WeakPolarHBondContact O-CA 3.22Å; I119-I151 PolarHBondContact O-N 2.92Å; I119-H185 HydrophobicContact CG1-CB 4.29Å; I119-V187 HydrophobicContact CG2-CB 3.67Å; I119-V187 HydrophobicContact CG2-CG2 3.88Å
120P98.4Very high96.7Very high3 Ų338.5 Ų38.52%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-69.8132.8173.630.3-35.6000108.6F159 R161 L164 F165 H185P120-F159 HydrophobicContact CB-CZ 3.88Å; P120-R161 HydrophobicContact CB-CG 3.98Å; P120-R161 HydrophobicContact CG-CG 3.46Å; P120-R161 VanDerWaalsContact CG-CG 3.46Å; P120-L164 HydrophobicContact CB-CB 3.69Å; P120-L164 HydrophobicContact CB-CD1 3.78Å; P120-L164 HydrophobicContact CB-CG 4.42Å; P120-F165 HydrophobicContact CB-CE1 4.48Å; P120-F165 HydrophobicContact CG-CD1 3.95Å; P120-F165 HydrophobicContact CG-CE1 3.45Å; P120-F165 VanDerWaalsContact CG-CE1 3.45Å; P120-F165 HydrophobicContact CG-CE2 4.4Å; P120-F165 HydrophobicContact CG-CZ 3.69Å; P120-H185 WeakPolarHBondContact CD-O 3.22Å
121Y97.9Very high97Very high10 Ų1033.8 Ų33.84%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-139.7141.2-165.4176.3-89.3000111.9R124 E125 L128 V150 I151 E152 Q153 V187Y121-R124 HydrophobicContact CD2-CB 4.15Å; Y121-R124 VanDerWaalsContact CE2-C 3.44Å; Y121-R124 HydrophobicContact CE2-CB 3.97Å; Y121-E125 WeakPolarHBondContact OH-CA 3.5Å; Y121-E125 WeakPolarHBondContact OH-CB 3.2Å; Y121-E125 PolarHBondContact OH-N 3.37Å; Y121-E125 VanDerWaalsContact OH-N 3.12Å; Y121-L128 HydrophobicContact CD2-CB 4.39Å; Y121-L128 HydrophobicContact CD2-CD2 4.12Å; Y121-L128 HydrophobicContact CE2-CB 4.03Å; Y121-L128 HydrophobicContact CE2-CD2 3.86Å; Y121-V150 HydrophobicContact CD1-CG1 4.17Å; Y121-V150 HydrophobicContact CD2-CG1 4.16Å; Y121-V150 HydrophobicContact CG-CG1 3.7Å; Y121-I151 PolarHBondContact N-O 3.32Å; Y121-E152 HydrophobicContact CD1-CB 3.89Å; Y121-E152 HydrophobicContact CD1-CG 3.85Å; Y121-E152 HydrophobicContact CE1-CG 4.3Å; Y121-E152 CarbonylContact O-C 3.59Å; Y121-E152 VanDerWaalsContact O-CA 3.26Å; Y121-E152 WeakPolarHBondContact O-CA 3.47Å; Y121-Q153 PolarHBondContact O-N 2.66Å; Y121-V187 HydrophobicContact CD2-CG2 4.34Å
122R96.1Very high97.3Very high44 Ų4432.3 Ų32.317%0.16615%0.152CC..SBendtrans-163.1122.6161.4-17817667.5177.64.7109.2R124 Q153 T157 F159R122-R124 WeakPolarHBondContact O-CG 3.4Å; R122-R124 PolarHBondContact O-N 2.62Å; R122-R124 VanDerWaalsContact O-N 3.12Å; R122-Q153 HydrophobicContact CB-CB 4.47Å; R122-Q153 WeakPolarHBondContact CD-O 3.38Å; R122-T157 PolarHBondContact NH1-O 2.65Å; R122-F159 HydrophobicContact CB-CD2 4.01Å; R122-F159 HydrophobicContact CB-CE2 3.99Å
123E94.7Very high97.6Very high158 Ų15827.6 Ų27.674%0.73812%0.123SC*.SBendtrans53.334.7174.2-61.4172.8175.600113.9
124R95.8Very high97.7Very high45 Ų4526 Ų2617%0.1712%0.115CC..  trans-120.530.2-176.5-73.1-70-174.5134.16.9112.6Y121 R122 K126 H127 L128 V187 D188 H281Y121-R124 HydrophobicContact CD2-CB 4.15Å; Y121-R124 VanDerWaalsContact CE2-C 3.44Å; Y121-R124 HydrophobicContact CE2-CB 3.97Å; R122-R124 WeakPolarHBondContact O-CG 3.4Å; R122-R124 PolarHBondContact O-N 2.62Å; R122-R124 VanDerWaalsContact O-N 3.12Å; R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.49Å; R124-K126 VanDerWaalsContact O-N 3.17Å; R124-H127 HydrophobicContact CB-CB 4.45Å; R124-H127 WeakPolarHBondContact CD-ND1 3.34Å; R124-H127 PolarHBondContact NH1-CE1 3.13Å; R124-H127 PolarHBondContact NH1-NE2 2.99Å; R124-H127 PolarHBondContact O-N 3.1Å; R124-L128 PolarHBondContact O-N 3.12Å; R124-V187 HydrophobicContact CB-CG1 3.73Å; R124-V187 HydrophobicContact CB-CG2 4.46Å; R124-V187 HydrophobicContact CG-CG1 3.97Å; R124-D188 IonicContact NH1-OD2 2.6Å; R124-D188 PolarHBondContact NH1-OD2 2.99Å; R124-H281 PolarHBondContact NH1-CD2 2.78Å; R124-H281 PolarHBondContact NH1-NE2 2.75Å; R124-H281 PolarHBondContact NH2-CD2 3.31Å; R124-H281 PolarHBondContact NH2-NE2 2.95Å
125E96.2Very high97.7Very high84 Ų8424 Ų2439%0.39311%0.107SC..Hα-helixtrans-53.9-41.7-173.6-169.2179.1117.700112.7F90 Y121 H127 L128 K129F90-E125 HydrophobicContact CE2-CG 4.45Å; F90-E125 HydrophobicContact CZ-CG 4.11Å; Y121-E125 WeakPolarHBondContact OH-CA 3.5Å; Y121-E125 WeakPolarHBondContact OH-CB 3.2Å; Y121-E125 PolarHBondContact OH-N 3.37Å; Y121-E125 VanDerWaalsContact OH-N 3.12Å; E125-H127 VanDerWaalsContact C-N 3.32Å; E125-H127 PolarHBondContact O-N 3.4Å; E125-L128 PolarHBondContact O-N 3.46Å; E125-K129 HydrophobicContact CG-CD 4.05Å; E125-K129 HydrophobicContact CG-CG 4.39Å; E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 WeakPolarHBondContact O-CG 2.89Å; E125-K129 PolarHBondContact O-N 3.02Å; E125-K129 VanDerWaalsContact OE1-CE 3.29Å; E125-K129 WeakPolarHBondContact OE1-CE 3.45Å; E125-K129 IonicContact OE1-NZ 2.75Å; E125-K129 PolarHBondContact OE1-NZ 2.82Å
126K97.1Very high97.6Very high97 Ų9724 Ų2442%0.42211%0.107SC..Hα-helixtrans-53.2-49.6174.2173174.2-178.5-177.90111.7D85 P87 R124 K129 L130D85-K126 WeakPolarHBondContact O-CE 3.09Å; D85-K126 PolarHBondContact O-NZ 3.42Å; D85-K126 VanDerWaalsContact O-NZ 3.1Å; P87-K126 HydrophobicContact CG-CG 4.03Å; R124-K126 VanDerWaalsContact C-N 3.26Å; R124-K126 PolarHBondContact O-N 3.49Å; R124-K126 VanDerWaalsContact O-N 3.17Å; K126-K129 PolarHBondContact O-N 2.82Å; K126-L130 HydrophobicContact CG-CD1 4.1Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.26Å; K126-L130 PolarHBondContact O-N 3.44Å; K126-L130 VanDerWaalsContact O-N 3.11Å
127H97.9Very high97.5Very high14 Ų1424.5 Ų24.57%0.06511%0.111CC..Hα-helixtrans-69.3-40.9-177.4-60.280.5000110.8R124 E125 K129 L130 L131 V187 D188 H281R124-H127 HydrophobicContact CB-CB 4.45Å; R124-H127 WeakPolarHBondContact CD-ND1 3.34Å; R124-H127 PolarHBondContact NH1-CE1 3.13Å; R124-H127 PolarHBondContact NH1-NE2 2.99Å; R124-H127 PolarHBondContact O-N 3.1Å; E125-H127 VanDerWaalsContact C-N 3.32Å; E125-H127 PolarHBondContact O-N 3.4Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 3.16Å; H127-L130 WeakPolarHBondContact O-CB 3.44Å; H127-L130 PolarHBondContact O-N 3.43Å; H127-L130 VanDerWaalsContact O-N 3.1Å; H127-L131 WeakPolarHBondContact O-CB 3.44Å; H127-L131 PolarHBondContact O-N 3.18Å; H127-V187 HydrophobicContact CB-CG1 4.43Å; H127-V187 HydrophobicContact CB-CG2 4.18Å; H127-V187 WeakPolarHBondContact CB-O 3.21Å; H127-D188 HydrophobicContact CB-CB 4.37Å; H127-D188 VanDerWaalsContact CD2-CB 3.45Å; H127-D188 WeakPolarHBondContact CD2-CB 3.44Å; H127-H281 WeakPolarHBondContact NE2-CB 3.5Å; H127-H281 AromaticContact NE2-CG 3.78Å; H127-H281 AromaticContact NE2-ND1 3.73Å
128L98.2Very high97.3Very high0 Ų024.5 Ų24.50%011%0.111CC..Hα-helixtrans-57.5-46.5174.9-177.161.6000111.2Y121 R124 E125 L130 L131 L132 V150 V187 F393Y121-L128 HydrophobicContact CD2-CB 4.39Å; Y121-L128 HydrophobicContact CD2-CD2 4.12Å; Y121-L128 HydrophobicContact CE2-CB 4.03Å; Y121-L128 HydrophobicContact CE2-CD2 3.86Å; R124-L128 PolarHBondContact O-N 3.12Å; E125-L128 PolarHBondContact O-N 3.46Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 2.86Å; L128-L131 PolarHBondContact O-N 2.69Å; L128-L132 HydrophobicContact CD1-CD1 4.22Å; L128-L132 HydrophobicContact CD1-CD2 4.2Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.28Å; L128-L132 VanDerWaalsContact O-CG 3.26Å; L128-L132 WeakPolarHBondContact O-CG 3.48Å; L128-L132 PolarHBondContact O-N 3.23Å; L128-V150 HydrophobicContact CD1-CG2 3.8Å; L128-V150 HydrophobicContact CD2-CG1 4.26Å; L128-V150 HydrophobicContact CD2-CG2 4.23Å; L128-V187 HydrophobicContact CB-CG2 3.92Å; L128-V187 HydrophobicContact CD1-CG2 4.26Å; L128-F393 HydrophobicContact CD2-CE1 3.86Å; L128-F393 HydrophobicContact CD2-CE2 4.43Å; L128-F393 HydrophobicContact CD2-CZ 3.74Å; L128-F393 HydrophobicContact CG-CE1 4.46Å
129K98Very high97.2Very high29 Ų2924.6 Ų24.613%0.12611%0.111CC..Hα-helixtrans-64.7-29.8176.7-75.6173.3162.6171.80113.7P87 T88 F90 L93 E125 K126 H127 P133P87-K129 HydrophobicContact CB-CB 3.5Å; P87-K129 HydrophobicContact CB-CD 4.22Å; P87-K129 HydrophobicContact CB-CG 4.49Å; T88-K129 VanDerWaalsContact O-CD 3.31Å; T88-K129 WeakPolarHBondContact O-CD 3.46Å; F90-K129 HydrophobicContact CD1-CG 4.4Å; F90-K129 HydrophobicContact CE1-CG 3.85Å; F90-K129 VanDerWaalsContact CE2-CE 3.44Å; F90-K129 HydrophobicContact CZ-CD 4.38Å; F90-K129 HydrophobicContact CZ-CG 4.01Å; L93-K129 HydrophobicContact CD1-CB 4.16Å; L93-K129 HydrophobicContact CD1-CG 4.06Å; E125-K129 HydrophobicContact CG-CD 4.05Å; E125-K129 HydrophobicContact CG-CG 4.39Å; E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 WeakPolarHBondContact O-CG 2.89Å; E125-K129 PolarHBondContact O-N 3.02Å; E125-K129 VanDerWaalsContact OE1-CE 3.29Å; E125-K129 WeakPolarHBondContact OE1-CE 3.45Å; E125-K129 IonicContact OE1-NZ 2.75Å; E125-K129 PolarHBondContact OE1-NZ 2.82Å; K126-K129 PolarHBondContact O-N 2.82Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 3.16Å; K129-P133 VanDerWaalsContact O-CD 3.28Å; K129-P133 WeakPolarHBondContact O-CD 3.32Å
130L97.9Very high97Very high3 Ų326.8 Ų26.82%0.01612%0.123CC..Hα-helixtrans-75-33.1174-67.8167.9000112.4S83 S84 P87 K126 H127 L128 R134 L190 P279S83-L130 VanDerWaalsContact O-CD2 3.31Å; S83-L130 WeakPolarHBondContact O-CD2 3.36Å; S84-L130 WeakPolarHBondContact O-CD1 3.28Å; P87-L130 HydrophobicContact CB-CD2 4.27Å; P87-L130 HydrophobicContact CB-CG 4.25Å; K126-L130 HydrophobicContact CG-CD1 4.1Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.26Å; K126-L130 PolarHBondContact O-N 3.44Å; K126-L130 VanDerWaalsContact O-N 3.11Å; H127-L130 WeakPolarHBondContact O-CB 3.44Å; H127-L130 PolarHBondContact O-N 3.43Å; H127-L130 VanDerWaalsContact O-N 3.1Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 2.86Å; L130-R134 PolarHBondContact O-NH1 2.69Å; L130-L190 HydrophobicContact CB-CD1 4.14Å; L130-L190 HydrophobicContact CB-CD2 3.96Å; L130-P279 HydrophobicContact CD1-CB 4.24Å; L130-P279 HydrophobicContact CD1-CG 4.1Å
131L98.3Very high96.7Very high0 Ų027.6 Ų27.60%013%0.126CC..Hα-helixtrans-78.1-49.4-177.2174.857.9000113I119 H127 L128 P133 R134 L135 H185 L190I119-L131 HydrophobicContact CD1-CD2 3.87Å; H127-L131 WeakPolarHBondContact O-CB 3.44Å; H127-L131 PolarHBondContact O-N 3.18Å; L128-L131 PolarHBondContact O-N 2.69Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; L131-R134 WeakPolarHBondContact O-CB 3.26Å; L131-R134 PolarHBondContact O-N 2.93Å; L131-R134 VanDerWaalsContact O-N 3.13Å; L131-L135 HydrophobicContact CD1-CB 4.23Å; L131-L135 HydrophobicContact CG-CB 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.22Å; L131-L135 PolarHBondContact O-N 3.22Å; L131-H185 VanDerWaalsContact CD1-CE1 3.44Å; L131-H185 WeakPolarHBondContact CD1-CE1 3.02Å; L131-L190 HydrophobicContact CB-CD2 3.91Å; L131-L190 HydrophobicContact CD1-CD2 4.34Å
132L98.3Very high96.5Very high0 Ų027.2 Ų27.20%012%0.124CC..Hα-helixtrans-48.8-47.7-172.3-72.6169.7000115.4F90 L93 L128 R134 L135 H136 V148 L392 F393F90-L132 HydrophobicContact CD1-CD1 4.43Å; F90-L132 HydrophobicContact CE1-CD1 4.06Å; L93-L132 HydrophobicContact CD1-CB 4.32Å; L93-L132 HydrophobicContact CD1-CD1 4.15Å; L128-L132 HydrophobicContact CD1-CD1 4.22Å; L128-L132 HydrophobicContact CD1-CD2 4.2Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.28Å; L128-L132 VanDerWaalsContact O-CG 3.26Å; L128-L132 WeakPolarHBondContact O-CG 3.48Å; L128-L132 PolarHBondContact O-N 3.23Å; L132-R134 VanDerWaalsContact C-N 3.34Å; L132-R134 PolarHBondContact O-N 2.91Å; L132-L135 PolarHBondContact O-N 3.46Å; L132-H136 PolarHBondContact O-CD2 3.09Å; L132-H136 PolarHBondContact O-N 3.36Å; L132-V148 HydrophobicContact CD2-CG1 4.29Å; L132-L392 HydrophobicContact CD1-CB 4.38Å; L132-L392 HydrophobicContact CD1-CD1 4.5Å; L132-F393 HydrophobicContact CD1-CD1 3.72Å; L132-F393 HydrophobicContact CD1-CE1 3.78Å; L132-F393 HydrophobicContact CD2-CD1 3.93Å; L132-F393 HydrophobicContact CG-CD1 4.48Å
133P97Very high96.4Very high9 Ų926.5 Ų26.56%0.05812%0.124CC..Hα-helixtrans-67.3-36.3-176.526.3-31.8000112.2Y82 L93 V96 K129 L131 A137Y82-P133 HydrophobicContact CD1-CB 3.69Å; Y82-P133 HydrophobicContact CD1-CG 4.16Å; Y82-P133 HydrophobicContact CE1-CB 3.79Å; Y82-P133 HydrophobicContact CG-CB 4.21Å; Y82-P133 HydrophobicContact CG-CG 4.38Å; L93-P133 HydrophobicContact CD2-CB 3.75Å; L93-P133 HydrophobicContact CD2-CG 3.55Å; V96-P133 HydrophobicContact CG2-CB 4.18Å; K129-P133 VanDerWaalsContact O-CD 3.28Å; K129-P133 WeakPolarHBondContact O-CD 3.32Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; P133-A137 VanDerWaalsContact O-CB 3.24Å; P133-A137 WeakPolarHBondContact O-CB 3.23Å; P133-A137 PolarHBondContact O-N 2.92Å; P133-A137 VanDerWaalsContact O-N 3.16Å
134R97.2Very high96.3Very high7 Ų719.8 Ų19.83%0.0269%0.092CC..Hα-helixtrans-66-46.2173.4-69.1174171.875.42.6111.1Y82 S83 S84 L130 L131 L132 A137 L138 P191Y82-R134 HydrophobicContact CD2-CG 3.73Å; Y82-R134 HydrophobicContact CG-CG 4.19Å; Y82-R134 PolarHBondContact O-NH2 3.49Å; S83-R134 PolarHBondContact O-NH1 3.11Å; S83-R134 PolarHBondContact O-NH2 3.14Å; S84-R134 PolarHBondContact OG-NH2 3.33Å; L130-R134 PolarHBondContact O-NH1 2.69Å; L131-R134 WeakPolarHBondContact O-CB 3.26Å; L131-R134 PolarHBondContact O-N 2.93Å; L131-R134 VanDerWaalsContact O-N 3.13Å; L132-R134 VanDerWaalsContact C-N 3.34Å; L132-R134 PolarHBondContact O-N 2.91Å; R134-A137 PolarHBondContact O-N 2.96Å; R134-L138 WeakPolarHBondContact O-CB 3.23Å; R134-L138 PolarHBondContact O-N 3Å; R134-P191 HydrophobicContact CB-CG 4.21Å
135L97.7Very high96.4Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-61.9-50.4-176.5-174.663.7000111.2V117 I119 L131 L132 L138 L139 V148 Y198V117-L135 HydrophobicContact CG1-CD1 4.25Å; V117-L135 HydrophobicContact CG1-CD2 4.07Å; V117-L135 HydrophobicContact CG2-CD1 4.47Å; I119-L135 HydrophobicContact CD1-CD2 3.89Å; L131-L135 HydrophobicContact CD1-CB 4.23Å; L131-L135 HydrophobicContact CG-CB 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.22Å; L131-L135 PolarHBondContact O-N 3.22Å; L132-L135 PolarHBondContact O-N 3.46Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 3.78Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 VanDerWaalsContact O-CG 3.22Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.44Å; L135-V148 HydrophobicContact CD2-CG1 3.89Å; L135-V148 HydrophobicContact CD2-CG2 3.91Å; L135-V148 HydrophobicContact CG-CG2 4.47Å; L135-Y198 HydrophobicContact CD1-CD1 3.98Å; L135-Y198 HydrophobicContact CD1-CE1 3.46Å; L135-Y198 VanDerWaalsContact CD1-CE1 3.46Å
136H97.8Very high96.5Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-64.8-41.8178.6-69.5-59.8000112.5V100 L132 L139 L140 Y146 L392V100-H136 HydrophobicContact CG2-CB 4.09Å; V100-H136 WeakPolarHBondContact CG2-ND1 3.25Å; L132-H136 PolarHBondContact O-CD2 3.09Å; L132-H136 PolarHBondContact O-N 3.36Å; H136-L139 PolarHBondContact O-N 3.33Å; H136-L140 WeakPolarHBondContact O-CB 3.37Å; H136-L140 PolarHBondContact O-N 2.83Å; H136-Y146 AromaticContact ND1-CE2 3.64Å; H136-Y146 AromaticContact ND1-CZ 3.75Å; H136-Y146 PolarHBondContact ND1-OH 2.76Å; H136-L392 PolarHBondContact CE1-O 3.28Å; H136-L392 PolarHBondContact NE2-O 3.12Å
137A96Very high96.6Very high11 Ų1111.8 Ų11.89%0.0916%0.059CC..Hα-helixtrans-62-45.5176.800000112.2L79 Y82 P133 R134 R141L79-A137 HydrophobicContact CD2-CB 4.42Å; Y82-A137 HydrophobicContact CE2-CB 4.09Å; P133-A137 VanDerWaalsContact O-CB 3.24Å; P133-A137 WeakPolarHBondContact O-CB 3.23Å; P133-A137 PolarHBondContact O-N 2.92Å; P133-A137 VanDerWaalsContact O-N 3.16Å; R134-A137 PolarHBondContact O-N 2.96Å; A137-R141 PolarHBondContact O-N 2.78Å; A137-R141 VanDerWaalsContact O-N 3.1Å
138L95.7Very high96.7Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-64.1-45.9178172.6152.8000111.8L79 R134 L135 R141 Q142 P191 Y198L79-L138 HydrophobicContact CD1-CD1 4.16Å; R134-L138 WeakPolarHBondContact O-CB 3.23Å; R134-L138 PolarHBondContact O-N 3Å; L135-L138 PolarHBondContact O-N 2.84Å; L138-R141 WeakPolarHBondContact O-CB 3.49Å; L138-R141 PolarHBondContact O-N 3.27Å; L138-Q142 WeakPolarHBondContact O-CG 3.46Å; L138-Q142 PolarHBondContact O-N 2.67Å; L138-P191 HydrophobicContact CD1-CB 4Å; L138-P191 HydrophobicContact CD1-CG 4.12Å; L138-Y198 HydrophobicContact CD1-CD2 4.49Å; L138-Y198 HydrophobicContact CD1-CE2 4.14Å; L138-Y198 HydrophobicContact CD2-CD1 4.17Å; L138-Y198 HydrophobicContact CD2-CD2 3.71Å; L138-Y198 HydrophobicContact CD2-CE1 4.42Å; L138-Y198 HydrophobicContact CD2-CE2 3.98Å; L138-Y198 HydrophobicContact CD2-CG 3.8Å
139L96.5Very high96.7Very high2 Ų211.1 Ų11.11%0.016%0.056CC..Hα-helixtrans-69.2-38-179.4-69169000112.2V117 L135 H136 R141 Q142 N143 Y146 V148 Y198V117-L139 HydrophobicContact CG2-CD1 3.89Å; V117-L139 HydrophobicContact CG2-CD2 4.32Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 3.78Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 VanDerWaalsContact O-CG 3.22Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.44Å; H136-L139 PolarHBondContact O-N 3.33Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3Å; L139-Q142 PolarHBondContact O-N 3.31Å; L139-N143 PolarHBondContact O-N 2.87Å; L139-Y146 HydrophobicContact CB-CD1 3.53Å; L139-Y146 HydrophobicContact CB-CD2 4.28Å; L139-Y146 HydrophobicContact CB-CE1 3.54Å; L139-Y146 HydrophobicContact CB-CE2 4.34Å; L139-Y146 HydrophobicContact CB-CG 3.89Å; L139-Y146 HydrophobicContact CD1-CD1 4.32Å; L139-Y146 HydrophobicContact CD1-CD2 3.56Å; L139-Y146 HydrophobicContact CD1-CE2 3.86Å; L139-Y146 HydrophobicContact CD1-CG 3.81Å; L139-Y146 HydrophobicContact CG-CD1 4.43Å; L139-Y146 HydrophobicContact CG-CD2 4.49Å; L139-Y146 HydrophobicContact CG-CG 4.32Å; L139-V148 HydrophobicContact CD1-CG2 4.19Å; L139-Y198 HydrophobicContact CD2-CD1 4.04Å; L139-Y198 HydrophobicContact CD2-CG 4.2Å
140L95Very high96.7Very high47 Ų479.8 Ų9.825%0.2465%0.05CC..Hα-helixtrans-60.6-42.2173.5-179.368.3000111.6H99 W105 H136 Q142 N143H99-L140 HydrophobicContact CB-CD1 4.41Å; W105-L140 HydrophobicContact CD2-CD1 3.67Å; W105-L140 HydrophobicContact CE3-CD1 3.98Å; W105-L140 HydrophobicContact CG-CD1 4.34Å; W105-L140 HydrophobicContact CH2-CD1 3.69Å; W105-L140 HydrophobicContact CZ2-CD1 3.38Å; W105-L140 HydrophobicContact CZ3-CD1 3.98Å; H136-L140 WeakPolarHBondContact O-CB 3.37Å; H136-L140 PolarHBondContact O-N 2.83Å; L140-Q142 VanDerWaalsContact C-N 3.29Å; L140-Q142 PolarHBondContact O-N 3.23Å; L140-N143 PolarHBondContact O-N 3.37Å; L140-N143 VanDerWaalsContact O-N 3.12Å
141R92.2Very high96.7Very high20 Ų209.6 Ų9.68%0.0755%0.049CC..Hα-helixtrans-58.5-42.8176.7-173.6-161160.6168.9-2.4111.9K73 G75 D76 I77 A137 L138 L139 N143 S194 E195K73-R141 PolarHBondContact N-O 3.47Å; K73-R141 VanDerWaalsContact N-O 3.13Å; K73-R141 PolarHBondContact O-NE 2.95Å; G75-R141 PolarHBondContact O-NE 3.36Å; G75-R141 PolarHBondContact O-NH1 3.39Å; G75-R141 PolarHBondContact O-NH2 2.78Å; D76-R141 IonicContact OD1-NH1 2.66Å; I77-R141 HydrophobicContact CD1-CB 3.61Å; I77-R141 HydrophobicContact CD1-CG 3.8Å; I77-R141 HydrophobicContact CG1-CG 4.26Å; A137-R141 PolarHBondContact O-N 2.78Å; A137-R141 VanDerWaalsContact O-N 3.1Å; L138-R141 WeakPolarHBondContact O-CB 3.49Å; L138-R141 PolarHBondContact O-N 3.27Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3Å; R141-N143 PolarHBondContact O-N 2.81Å; R141-S194 PolarHBondContact NH1-OG 3.26Å; R141-E195 IonicContact CZ-OE1 2.87Å; R141-E195 IonicContact NH1-OE1 4Å; R141-E195 PolarHBondContact NH1-OE1 3.25Å; R141-E195 IonicContact NH2-OE1 3.17Å; R141-E195 PolarHBondContact NH2-OE1 3.01Å
142Q92.9Very high96.7Very high1 Ų111.8 Ų11.81%0.0056%0.059CC..Hα-helixtrans-67.5-14.3-178.8-69.8169.821.200112.6P72 L138 L139 L140 M144 N196 F197 Y198P72-Q142 WeakPolarHBondContact CA-O 3.25Å; L138-Q142 WeakPolarHBondContact O-CG 3.46Å; L138-Q142 PolarHBondContact O-N 2.67Å; L139-Q142 PolarHBondContact O-N 3.31Å; L140-Q142 VanDerWaalsContact C-N 3.29Å; L140-Q142 PolarHBondContact O-N 3.23Å; Q142-M144 PolarHBondContact O-N 3.07Å; Q142-N196 PolarHBondContact NE2-O 2.88Å; Q142-F197 HydrophobicContact CG-CD1 3.79Å; Q142-F197 HydrophobicContact CG-CE1 4.33Å; Q142-F197 HydrophobicContact CG-CG 4.49Å; Q142-F197 VanDerWaalsContact NE2-CA 3.3Å; Q142-Y198 VanDerWaalsContact CD-N 3.31Å; Q142-Y198 VanDerWaalsContact NE2-N 3.16Å
143N93.2Very high96.6Very high30 Ų3011.9 Ų11.916%0.166%0.059CC..THydrogen-bonded Turntrans58.438170.5-166.842.9000112.1C70 C71 P107 L139 L140 R141C70-N143 VanDerWaalsContact CB-O 3.29Å; C70-N143 WeakPolarHBondContact CB-O 3.49Å; C71-N143 WeakPolarHBondContact O-CB 3.44Å; C71-N143 PolarHBondContact O-ND2 3.31Å; C71-N143 VanDerWaalsContact O-ND2 3.16Å; P107-N143 WeakPolarHBondContact CB-OD1 3.38Å; L139-N143 PolarHBondContact O-N 2.87Å; L140-N143 PolarHBondContact O-N 3.37Å; L140-N143 VanDerWaalsContact O-N 3.12Å; R141-N143 PolarHBondContact O-N 2.81Å
144M94.2Very high96.4Very high16 Ų1612.5 Ų12.58%0.0797%0.065CC..  trans-117.4148.5177.1-65-59.7-178.600109.9C70 S111 I115 Q142 Y146 I199C70-M144 HydrophobicContact CB-CE 4.31Å; C70-M144 HydrophobicContact CB-SD 3.64Å; C70-M144 VanDerWaalsContact O-CE 3.32Å; C70-M144 WeakPolarHBondContact O-CE 3.43Å; S111-M144 PolarHBondContact OG-SD 3.33Å; I115-M144 HydrophobicContact CD1-CB 3.53Å; I115-M144 HydrophobicContact CD1-CG 4.17Å; Q142-M144 PolarHBondContact O-N 3.07Å; M144-Y146 PolarHBondContact O-N 3.38Å; M144-I199 HydrophobicContact CG-CG2 4.49Å
145P97.5Very high96.2Very high16 Ų1614.2 Ų14.210%0.1049%0.085CC..  trans-66.2128.7172.827.3-31.4000110.1W105 K106 Q113 K114 I115W105-P145 WeakPolarHBondContact O-CA 3.31Å; K106-P145 HydrophobicContact CB-CB 3.97Å; Q113-P145 WeakPolarHBondContact O-CD 3.39Å; Q113-P145 VanDerWaalsContact O-CG 3.32Å; Q113-P145 WeakPolarHBondContact O-CG 3.3Å; K114-P145 HydrophobicContact CB-CG 4.29Å; K114-P145 HydrophobicContact CG-CB 4.33Å; K114-P145 HydrophobicContact CG-CG 4.31Å; I115-P145 PolarHBondContact N-O 3.38Å
146Y98.6Very high96Very high1 Ų121 Ų210%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-139.2157.7-176.675.5-98.3000112.6H99 S104 W105 I115 H136 L139 M144 V148H99-Y146 PolarHBondContact NE2-OH 2.63Å; H99-Y146 VanDerWaalsContact NE2-OH 3.08Å; S104-Y146 VanDerWaalsContact CA-O 3.26Å; S104-Y146 WeakPolarHBondContact CA-O 3.44Å; S104-Y146 WeakPolarHBondContact CB-O 3.31Å; W105-Y146 HydrophobicContact CB-CD1 4.26Å; W105-Y146 HydrophobicContact CB-CE1 3.59Å; W105-Y146 HydrophobicContact CD2-CE1 4.36Å; W105-Y146 HydrophobicContact CE3-CD1 4.12Å; W105-Y146 AromaticContact CE3-CE1 3.9Å; W105-Y146 HydrophobicContact CE3-CE1 3.9Å; W105-Y146 HydrophobicContact CG-CE1 4.3Å; W105-Y146 PolarHBondContact N-O 3.03Å; W105-Y146 VanDerWaalsContact N-O 3.16Å; W105-Y146 PolarHBondContact O-N 3.01Å; I115-Y146 CarbonylContact O-C 3.56Å; I115-Y146 VanDerWaalsContact O-CA 3.27Å; I115-Y146 WeakPolarHBondContact O-CA 3.37Å; H136-Y146 AromaticContact ND1-CE2 3.64Å; H136-Y146 AromaticContact ND1-CZ 3.75Å; H136-Y146 PolarHBondContact ND1-OH 2.76Å; L139-Y146 HydrophobicContact CB-CD1 3.53Å; L139-Y146 HydrophobicContact CB-CD2 4.28Å; L139-Y146 HydrophobicContact CB-CE1 3.54Å; L139-Y146 HydrophobicContact CB-CE2 4.34Å; L139-Y146 HydrophobicContact CB-CG 3.89Å; L139-Y146 HydrophobicContact CD1-CD1 4.32Å; L139-Y146 HydrophobicContact CD1-CD2 3.56Å; L139-Y146 HydrophobicContact CD1-CE2 3.86Å; L139-Y146 HydrophobicContact CD1-CG 3.81Å; L139-Y146 HydrophobicContact CG-CD1 4.43Å; L139-Y146 HydrophobicContact CG-CD2 4.49Å; L139-Y146 HydrophobicContact CG-CG 4.32Å; M144-Y146 PolarHBondContact O-N 3.38Å; Y146-V148 HydrophobicContact CD2-CG2 3.98Å; Y146-V148 HydrophobicContact CE2-CG2 3.9Å
147Y98.8Very high95.7Very high42 Ų4221.1 Ų21.117%0.16513%0.127CC..EExtended strand (participates in β ladder)trans-130.8140.2170.6-64.2-94.9000109.1G103 S104 K114 I115 V117 F149 D176 I179 I394G103-Y147 CarbonylContact O-C 3.54Å; G103-Y147 WeakPolarHBondContact O-CA 3.41Å; S104-Y147 VanDerWaalsContact CB-CD1 3.46Å; K114-Y147 HydrophobicContact CD-CE2 3.91Å; K114-Y147 HydrophobicContact CG-CD2 4.45Å; K114-Y147 HydrophobicContact CG-CE2 4Å; I115-Y147 PolarHBondContact O-N 3.28Å; V117-Y147 PolarHBondContact N-O 2.78Å; Y147-F149 HydrophobicContact CD1-CZ 4.39Å; Y147-F149 HydrophobicContact CG-CE2 4.08Å; Y147-F149 HydrophobicContact CG-CZ 4.19Å; Y147-D176 HydrophobicContact CE2-CB 4.37Å; Y147-D176 PolarHBondContact OH-OD2 2.77Å; Y147-I179 HydrophobicContact CD2-CD1 3.87Å; Y147-I179 HydrophobicContact CD2-CG1 4.25Å; Y147-I179 HydrophobicContact CE2-CD1 4.27Å; Y147-I179 HydrophobicContact CE2-CG1 4.42Å; Y147-I179 HydrophobicContact CG-CD1 4.39Å; Y147-I394 HydrophobicContact CD1-CD1 3.75Å
148V98.9Very high95.6Very high0 Ų022.8 Ų22.80%014%0.137CC..EExtended strand (participates in β ladder)trans-109.8115.4172.8-178.80000108.2G103 I119 L132 L135 L139 Y146 F393 I394G103-V148 PolarHBondContact O-N 2.79Å; I119-V148 HydrophobicContact CD1-CG1 3.84Å; L132-V148 HydrophobicContact CD2-CG1 4.29Å; L135-V148 HydrophobicContact CD2-CG1 3.89Å; L135-V148 HydrophobicContact CD2-CG2 3.91Å; L135-V148 HydrophobicContact CG-CG2 4.47Å; L139-V148 HydrophobicContact CD1-CG2 4.19Å; Y146-V148 HydrophobicContact CD2-CG2 3.98Å; Y146-V148 HydrophobicContact CE2-CG2 3.9Å; V148-F393 HydrophobicContact CB-CB 4.21Å; V148-F393 HydrophobicContact CG1-CB 3.87Å; V148-F393 CarbonylContact O-C 3.51Å; V148-F393 WeakPolarHBondContact O-CA 3.39Å; V148-I394 PolarHBondContact O-N 3.08Å
149F98.8Very high95.6Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-108.1122.8179.1-64.6-89.7000110.1A116 V117 I119 Y147 I151 A172 I175 I179 I394A116-F149 HydrophobicContact CB-CD2 4Å; A116-F149 HydrophobicContact CB-CE2 3.74Å; V117-F149 PolarHBondContact O-N 2.9Å; I119-F149 PolarHBondContact N-O 2.95Å; Y147-F149 HydrophobicContact CD1-CZ 4.39Å; Y147-F149 HydrophobicContact CG-CE2 4.08Å; Y147-F149 HydrophobicContact CG-CZ 4.19Å; F149-I151 HydrophobicContact CB-CD1 4.05Å; F149-A172 HydrophobicContact CD2-CB 4.11Å; F149-A172 HydrophobicContact CE1-CB 4.19Å; F149-A172 HydrophobicContact CE2-CB 3.53Å; F149-A172 VanDerWaalsContact CZ-CA 3.44Å; F149-A172 HydrophobicContact CZ-CB 3.62Å; F149-I175 HydrophobicContact CE1-CD1 3.71Å; F149-I175 HydrophobicContact CZ-CD1 4.46Å; F149-I179 HydrophobicContact CE2-CD1 4.29Å; F149-I179 HydrophobicContact CZ-CD1 4.33Å; F149-I394 WeakPolarHBondContact CA-O 3.04Å; F149-I394 HydrophobicContact CD1-CB 3.77Å; F149-I394 HydrophobicContact CD1-CD1 4.14Å; F149-I394 HydrophobicContact CD1-CG2 3.75Å; F149-I394 HydrophobicContact CE1-CB 4.06Å; F149-I394 HydrophobicContact CE1-CD1 3.61Å; F149-I394 HydrophobicContact CE1-CG1 4.44Å; F149-I394 HydrophobicContact CE1-CG2 3.89Å; F149-I394 HydrophobicContact CG-CB 4.49Å; F149-I394 HydrophobicContact CZ-CD1 3.86Å
150V98.6Very high95.5Very high0 Ų025.2 Ų25.20%015%0.148CC..EExtended strand (participates in β ladder)trans-104.1109.5170.4177.20000108I119 Y121 L128 F393 I394 F396I119-V150 HydrophobicContact CB-CG2 4.46Å; I119-V150 WeakPolarHBondContact O-CA 3.22Å; Y121-V150 HydrophobicContact CD1-CG1 4.17Å; Y121-V150 HydrophobicContact CD2-CG1 4.16Å; Y121-V150 HydrophobicContact CG-CG1 3.7Å; L128-V150 HydrophobicContact CD1-CG2 3.8Å; L128-V150 HydrophobicContact CD2-CG1 4.26Å; L128-V150 HydrophobicContact CD2-CG2 4.23Å; V150-F393 HydrophobicContact CB-CD2 3.53Å; V150-F393 HydrophobicContact CB-CE2 3.83Å; V150-F393 HydrophobicContact CB-CG 4.24Å; V150-F393 HydrophobicContact CG1-CD2 4.42Å; V150-F393 HydrophobicContact CG1-CE2 4.24Å; V150-F393 HydrophobicContact CG2-CB 3.86Å; V150-F393 HydrophobicContact CG2-CD1 4.18Å; V150-F393 HydrophobicContact CG2-CD2 3.33Å; V150-F393 HydrophobicContact CG2-CE2 3.82Å; V150-F393 HydrophobicContact CG2-CG 3.51Å; V150-F393 HydrophobicContact CG2-CZ 4.43Å; V150-I394 PolarHBondContact N-O 3.25Å; V150-F396 PolarHBondContact O-N 3.1Å
151I98.1Very high95.6Very high0 Ų024.1 Ų24.10%014%0.14CC..EExtended strand (participates in β ladder)trans-98.897-177.8-48.1-56.8000108.2I118 I119 Y121 F149 L164 V167 F396I118-I151 HydrophobicContact CG2-CG1 3.82Å; I119-I151 PolarHBondContact O-N 2.92Å; Y121-I151 PolarHBondContact N-O 3.32Å; F149-I151 HydrophobicContact CB-CD1 4.05Å; I151-L164 HydrophobicContact CB-CB 4.38Å; I151-L164 HydrophobicContact CG2-CB 4.03Å; I151-L164 HydrophobicContact CG2-CD2 3.9Å; I151-V167 HydrophobicContact CG2-CB 4.33Å; I151-V167 HydrophobicContact CG2-CG1 3.95Å; I151-F396 CarbonylContact C-O 3.59Å; I151-F396 WeakPolarHBondContact CA-O 3.38Å; I151-F396 HydrophobicContact CD1-CB 3.88Å; I151-F396 HydrophobicContact CG2-CD1 4.4Å
152E97.2Very high95.8Very high46 Ų4623.2 Ų23.222%0.21514%0.137CC..EExtended strand (participates in β ladder)trans-82.4123.3-176.6177.1166.4-140.700111.5Y121 A154 H395 F396 I397 F398Y121-E152 HydrophobicContact CD1-CB 3.89Å; Y121-E152 HydrophobicContact CD1-CG 3.85Å; Y121-E152 HydrophobicContact CE1-CG 4.3Å; Y121-E152 CarbonylContact O-C 3.59Å; Y121-E152 VanDerWaalsContact O-CA 3.26Å; Y121-E152 WeakPolarHBondContact O-CA 3.47Å; E152-A154 PolarHBondContact O-N 2.85Å; E152-H395 IonicContact OE2-CE1 3.75Å; E152-H395 PolarHBondContact OE2-CE1 2.84Å; E152-H395 IonicContact OE2-NE2 2.7Å; E152-H395 PolarHBondContact OE2-NE2 3.22Å; E152-F396 PolarHBondContact N-O 3.26Å; E152-I397 HydrophobicContact CB-CG1 4.33Å; E152-F398 PolarHBondContact O-N 3.24Å
153Q96.5Very high95.9Very high2 Ų223.1 Ų23.11%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-81.2109.7167.8-169.8178.6-44.600110.6Y121 R122 T157 P158 F159 L164 F398 P400Y121-Q153 PolarHBondContact O-N 2.66Å; R122-Q153 HydrophobicContact CB-CB 4.47Å; R122-Q153 WeakPolarHBondContact CD-O 3.38Å; Q153-T157 PolarHBondContact NE2-O 3.33Å; Q153-T157 PolarHBondContact NE2-OG1 3.06Å; Q153-P158 PolarHBondContact NE2-O 3.27Å; Q153-F159 HydrophobicContact CB-CD2 4.28Å; Q153-F159 HydrophobicContact CB-CE2 4.36Å; Q153-L164 HydrophobicContact CB-CD1 3.77Å; Q153-L164 HydrophobicContact CB-CD2 3.9Å; Q153-L164 HydrophobicContact CB-CG 4.4Å; Q153-L164 HydrophobicContact CG-CD2 4.42Å; Q153-F398 CarbonylContact C-O 3.5Å; Q153-F398 VanDerWaalsContact CA-O 3.31Å; Q153-F398 WeakPolarHBondContact CA-O 3.48Å; Q153-P400 HydrophobicContact CG-CG 3.78Å
154A93.9Very high96.2Very high21 Ų2121.7 Ų21.717%0.17413%0.129CC..  trans-80.5165.3170.500000112E152 I397 F398 D399 P400E152-A154 PolarHBondContact O-N 2.85Å; A154-I397 HydrophobicContact CB-CG2 3.62Å; A154-F398 PolarHBondContact N-O 3.5Å; A154-D399 HydrophobicContact CB-CB 3.91Å; A154-P400 WeakPolarHBondContact O-CD 3.45Å
155G92.5Very high96.4Very high43 Ų4321.1 Ų21.144%0.44313%0.126SC..SBendtrans81-172.3177.700000113.8
156T92.4Very high96.4Very high142 Ų14220.4 Ų20.487%0.87112%0.121SC*.SBendtrans-109.21.8-169.758.50000114.1
157T93.4Very high96.4Very high4 Ų420.3 Ų20.33%0.02512%0.121CC..SBendtrans-62.2157.1177.860.90000110.8R122 Q153 P400 I401 Y404R122-T157 PolarHBondContact NH1-O 2.65Å; Q153-T157 PolarHBondContact NE2-O 3.33Å; Q153-T157 PolarHBondContact NE2-OG1 3.06Å; T157-P400 WeakPolarHBondContact OG1-CG 3.49Å; T157-I401 HydrophobicContact CG2-CB 4.44Å; T157-I401 HydrophobicContact CG2-CD1 3.51Å; T157-Y404 HydrophobicContact CG2-CD1 3.46Å; T157-Y404 VanDerWaalsContact CG2-CD1 3.46Å; T157-Y404 HydrophobicContact CG2-CE1 4.25Å; T157-Y404 HydrophobicContact CG2-CG 3.66Å
158P93.3Very high96.4Very high46 Ų4618.3 Ų18.330%0.29911%0.113SC..PPolyproline II helixtrans-52.3146.9172.2-24.934.3000111.6Q153 N160 W246 Y404Q153-P158 PolarHBondContact NE2-O 3.27Å; P158-N160 PolarHBondContact O-N 3.46Å; P158-W246 HydrophobicContact CB-CB 4.15Å; P158-W246 VanDerWaalsContact O-CE3 3.31Å; P158-Y404 HydrophobicContact CG-CE2 4.12Å
159F94.6Very high96.4Very high52 Ų5218.3 Ų18.323%0.22811%0.113CC..PPolyproline II helixtrans-63137.1178.2-171.4-115.6000109.9P120 R122 Q153 R161 L164 G247P120-F159 HydrophobicContact CB-CZ 3.88Å; R122-F159 HydrophobicContact CB-CD2 4.01Å; R122-F159 HydrophobicContact CB-CE2 3.99Å; Q153-F159 HydrophobicContact CB-CD2 4.28Å; Q153-F159 HydrophobicContact CB-CE2 4.36Å; F159-R161 HydrophobicContact CD1-CB 4.29Å; F159-R161 HydrophobicContact CE1-CB 3.85Å; F159-R161 HydrophobicContact CE1-CG 4.01Å; F159-L164 HydrophobicContact CD2-CD1 4.07Å; F159-L164 HydrophobicContact CE2-CD1 3.35Å; F159-L164 HydrophobicContact CZ-CD1 3.72Å; F159-G247 WeakPolarHBondContact O-CA 3.11Å; F159-G247 PolarHBondContact O-N 3.16Å
160N94.9Very high96.4Very high0 Ų019.2 Ų19.20%012%0.118CC..  trans-128.690.6-179.1-171.1-30.6000109.5P158 L163 L164 T243 H245 W246P158-N160 PolarHBondContact O-N 3.46Å; N160-L163 HydrophobicContact CB-CB 3.99Å; N160-L163 HydrophobicContact CB-CD2 4.13Å; N160-L163 WeakPolarHBondContact OD1-CB 3.49Å; N160-L163 PolarHBondContact OD1-N 3.25Å; N160-L164 VanDerWaalsContact O-CG 3.28Å; N160-L164 WeakPolarHBondContact O-CG 3.28Å; N160-L164 PolarHBondContact O-N 3.01Å; N160-T243 PolarHBondContact ND2-O 2.79Å; N160-H245 PolarHBondContact OD1-O 3.31Å; N160-W246 HydrophobicContact CB-CD2 4.23Å; N160-W246 HydrophobicContact CB-CE3 3.67Å; N160-W246 HydrophobicContact CB-CH2 4.38Å; N160-W246 HydrophobicContact CB-CZ3 3.76Å; N160-W246 VanDerWaalsContact ND2-CE2 3.3Å; N160-W246 WeakPolarHBondContact ND2-CZ2 3.42Å
161R96.6Very high96.3Very high25 Ų2520 Ų209%0.09412%0.121CC..Hα-helixtrans-65.8-46.2-171.5-162.3170.481.8-88.1-4.8112.3P120 F159 L163 L164 F165 D186 E251 D252P120-R161 HydrophobicContact CB-CG 3.98Å; P120-R161 HydrophobicContact CG-CG 3.46Å; P120-R161 VanDerWaalsContact CG-CG 3.46Å; F159-R161 HydrophobicContact CD1-CB 4.29Å; F159-R161 HydrophobicContact CE1-CB 3.85Å; F159-R161 HydrophobicContact CE1-CG 4.01Å; R161-L163 PolarHBondContact O-N 3.12Å; R161-L164 PolarHBondContact O-N 3.11Å; R161-F165 HydrophobicContact CG-CD2 4.17Å; R161-F165 HydrophobicContact CG-CE2 3.67Å; R161-F165 HydrophobicContact CG-CZ 4.01Å; R161-F165 WeakPolarHBondContact O-CD2 3.34Å; R161-F165 PolarHBondContact O-N 2.67Å; R161-D186 WeakPolarHBondContact CD-OD1 3.25Å; R161-D186 IonicContact CZ-OD1 3.46Å; R161-D186 IonicContact NE-OD1 2.78Å; R161-D186 PolarHBondContact NE-OD1 2.9Å; R161-E251 IonicContact CZ-OE1 2.69Å; R161-E251 IonicContact NH1-OE1 3.01Å; R161-E251 PolarHBondContact NH1-OE1 2.87Å; R161-E251 IonicContact NH1-OE2 3.48Å; R161-E251 PolarHBondContact NH1-OE2 3.49Å; R161-E251 IonicContact NH2-OE1 3Å; R161-E251 PolarHBondContact NH2-OE1 3.49Å; R161-D252 IonicContact NH2-OD2 2.68Å
162G96.9Very high96.4Very high0 Ų020 Ų200%012%0.121CC..Hα-helixtrans-59.1-45.4179.200000112.8L164 F165 D166 F241G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; G162-F165 WeakPolarHBondContact O-CB 3.32Å; G162-F165 PolarHBondContact O-N 3.12Å; G162-D166 PolarHBondContact O-N 2.99Å; G162-F241 VanDerWaalsContact CA-CB 3.41Å
163L96Very high96.4Very high0 Ų019 Ų190%012%0.118CC..Hα-helixtrans-57-44.3174.517360.6000112.9N160 R161 D166 V167 T243 W246 L308 F398 P400 L403N160-L163 HydrophobicContact CB-CB 3.99Å; N160-L163 HydrophobicContact CB-CD2 4.13Å; N160-L163 WeakPolarHBondContact OD1-CB 3.49Å; N160-L163 PolarHBondContact OD1-N 3.25Å; R161-L163 PolarHBondContact O-N 3.12Å; L163-D166 PolarHBondContact O-N 3.42Å; L163-V167 HydrophobicContact CD1-CG2 4.3Å; L163-V167 VanDerWaalsContact O-CG2 3.32Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.16Å; L163-T243 HydrophobicContact CB-CG2 4.47Å; L163-T243 HydrophobicContact CD1-CG2 4.03Å; L163-W246 HydrophobicContact CD2-CH2 4.04Å; L163-W246 HydrophobicContact CD2-CZ2 4.47Å; L163-L308 HydrophobicContact CD1-CD1 4.17Å; L163-L308 HydrophobicContact CD1-CD2 3.65Å; L163-L308 HydrophobicContact CD1-CG 4.46Å; L163-F398 HydrophobicContact CD1-CE1 4.07Å; L163-F398 HydrophobicContact CD1-CZ 4.36Å; L163-F398 HydrophobicContact CD2-CE1 3.82Å; L163-F398 HydrophobicContact CG-CE1 3.89Å; L163-P400 HydrophobicContact CD2-CB 3.65Å; L163-L403 HydrophobicContact CD1-CD2 3.62Å; L163-L403 HydrophobicContact CD2-CD2 3.75Å; L163-L403 HydrophobicContact CG-CD2 4.34Å
164L98Very high96.4Very high0 Ų022.3 Ų22.30%014%0.135CC..Hα-helixtrans-70.2-34.5-179.3-61.6168.9000111.9P120 I151 Q153 F159 N160 R161 G162 V167 G168 F398P120-L164 HydrophobicContact CB-CB 3.69Å; P120-L164 HydrophobicContact CB-CD1 3.78Å; P120-L164 HydrophobicContact CB-CG 4.42Å; I151-L164 HydrophobicContact CB-CB 4.38Å; I151-L164 HydrophobicContact CG2-CB 4.03Å; I151-L164 HydrophobicContact CG2-CD2 3.9Å; Q153-L164 HydrophobicContact CB-CD1 3.77Å; Q153-L164 HydrophobicContact CB-CD2 3.9Å; Q153-L164 HydrophobicContact CB-CG 4.4Å; Q153-L164 HydrophobicContact CG-CD2 4.42Å; F159-L164 HydrophobicContact CD2-CD1 4.07Å; F159-L164 HydrophobicContact CE2-CD1 3.35Å; F159-L164 HydrophobicContact CZ-CD1 3.72Å; N160-L164 VanDerWaalsContact O-CG 3.28Å; N160-L164 WeakPolarHBondContact O-CG 3.28Å; N160-L164 PolarHBondContact O-N 3.01Å; R161-L164 PolarHBondContact O-N 3.11Å; G162-L164 VanDerWaalsContact C-N 3.34Å; G162-L164 PolarHBondContact O-N 3.13Å; L164-V167 PolarHBondContact O-N 3.23Å; L164-G168 PolarHBondContact O-N 2.95Å; L164-F398 HydrophobicContact CD2-CB 4.35Å; L164-F398 HydrophobicContact CD2-CD1 4.03Å
165F98.7Very high96.6Very high4 Ų425 Ų252%0.01815%0.146CC..Hα-helixtrans-60-48.1170.9-74.5-40.5000111.5I118 P120 R161 G162 G168 V169 F184 F241I118-F165 HydrophobicContact CB-CD1 4.41Å; I118-F165 HydrophobicContact CG2-CD1 3.97Å; I118-F165 WeakPolarHBondContact O-CE1 3.33Å; P120-F165 HydrophobicContact CB-CE1 4.48Å; P120-F165 HydrophobicContact CG-CD1 3.95Å; P120-F165 HydrophobicContact CG-CE1 3.45Å; P120-F165 VanDerWaalsContact CG-CE1 3.45Å; P120-F165 HydrophobicContact CG-CE2 4.4Å; P120-F165 HydrophobicContact CG-CZ 3.69Å; R161-F165 HydrophobicContact CG-CD2 4.17Å; R161-F165 HydrophobicContact CG-CE2 3.67Å; R161-F165 HydrophobicContact CG-CZ 4.01Å; R161-F165 WeakPolarHBondContact O-CD2 3.34Å; R161-F165 PolarHBondContact O-N 2.67Å; G162-F165 WeakPolarHBondContact O-CB 3.32Å; G162-F165 PolarHBondContact O-N 3.12Å; F165-G168 CarbonylContact O-C 3.57Å; F165-G168 WeakPolarHBondContact O-CA 3.35Å; F165-G168 PolarHBondContact O-N 3.48Å; F165-G168 VanDerWaalsContact O-N 3.12Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.48Å; F165-F184 HydrophobicContact CB-CD1 3.63Å; F165-F184 HydrophobicContact CB-CE1 3.91Å; F165-F184 HydrophobicContact CD1-CB 3.84Å; F165-F184 AromaticContact CD1-CD1 3.48Å; F165-F184 HydrophobicContact CD1-CD1 3.48Å; F165-F184 VanDerWaalsContact CD1-CD1 3.48Å; F165-F184 HydrophobicContact CD1-CE1 4.49Å; F165-F184 HydrophobicContact CD1-CG 4.13Å; F165-F184 HydrophobicContact CD2-CB 4.3Å; F165-F184 HydrophobicContact CD2-CD1 4.27Å; F165-F184 HydrophobicContact CE1-CB 3.55Å; F165-F184 HydrophobicContact CE1-CD1 4.1Å; F165-F184 HydrophobicContact CE1-CG 4.33Å; F165-F184 HydrophobicContact CE2-CB 4.08Å; F165-F184 HydrophobicContact CG-CB 4.21Å; F165-F184 AromaticContact CG-CD1 3.57Å; F165-F184 HydrophobicContact CG-CD1 3.57Å; F165-F184 HydrophobicContact CG-CE1 4.35Å; F165-F184 HydrophobicContact CG-CG 4.26Å; F165-F184 HydrophobicContact CZ-CB 3.71Å; F165-F241 HydrophobicContact CB-CD2 3.64Å; F165-F241 HydrophobicContact CB-CE2 3.85Å; F165-F241 HydrophobicContact CB-CG 4.23Å; F165-F241 AromaticContact CD2-CD1 3.93Å; F165-F241 HydrophobicContact CD2-CD1 3.93Å; F165-F241 AromaticContact CD2-CD2 3.96Å; F165-F241 HydrophobicContact CD2-CD2 3.96Å; F165-F241 AromaticContact CD2-CE1 3.71Å; F165-F241 HydrophobicContact CD2-CE1 3.71Å; F165-F241 AromaticContact CD2-CE2 3.75Å; F165-F241 HydrophobicContact CD2-CE2 3.75Å; F165-F241 HydrophobicContact CD2-CG 4.06Å; F165-F241 AromaticContact CD2-CZ 3.62Å; F165-F241 HydrophobicContact CD2-CZ 3.62Å; F165-F241 HydrophobicContact CE2-CE1 4.02Å; F165-F241 HydrophobicContact CE2-CZ 4.02Å; F165-F241 HydrophobicContact CG-CD2 4.21Å; F165-F241 HydrophobicContact CG-CE2 4.04Å; F165-F241 HydrophobicContact CG-CZ 4.31Å
166D98.4Very high96.8Very high0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-63.3-42.8178.1-77.9-3.2000112.4G162 L163 G168 V169 L170 G240 F241 G304 L305 L308G162-D166 PolarHBondContact O-N 2.99Å; L163-D166 PolarHBondContact O-N 3.42Å; D166-G168 VanDerWaalsContact C-N 3.27Å; D166-G168 PolarHBondContact O-N 3.37Å; D166-V169 PolarHBondContact O-N 3.35Å; D166-L170 WeakPolarHBondContact O-CG 3.37Å; D166-L170 PolarHBondContact O-N 3Å; D166-L170 VanDerWaalsContact O-N 3.16Å; D166-G240 WeakPolarHBondContact OD1-CA 3.31Å; D166-F241 PolarHBondContact OD1-N 2.98Å; D166-F241 PolarHBondContact OD2-N 3.33Å; D166-G304 VanDerWaalsContact OD2-C 3.28Å; D166-G304 WeakPolarHBondContact OD2-CA 2.95Å; D166-L305 HydrophobicContact CB-CD2 3.76Å; D166-L305 HydrophobicContact CB-CG 4.2Å; D166-L305 WeakPolarHBondContact O-CD2 3.47Å; D166-L305 PolarHBondContact OD2-N 2.87Å; D166-L305 VanDerWaalsContact OD2-N 3.12Å; D166-L308 HydrophobicContact CB-CD1 3.63Å
167V98.1Very high97.1Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-58.6-42.2172168.30000110.7I151 L163 L164 V169 L170 H171 L308 Y314 F396 F398I151-V167 HydrophobicContact CG2-CB 4.33Å; I151-V167 HydrophobicContact CG2-CG1 3.95Å; L163-V167 HydrophobicContact CD1-CG2 4.3Å; L163-V167 VanDerWaalsContact O-CG2 3.32Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.16Å; L164-V167 PolarHBondContact O-N 3.23Å; V167-V169 PolarHBondContact O-N 3.47Å; V167-L170 PolarHBondContact O-N 2.84Å; V167-H171 WeakPolarHBondContact O-CB 3.31Å; V167-H171 PolarHBondContact O-N 3.19Å; V167-L308 HydrophobicContact CG2-CD1 3.88Å; V167-Y314 HydrophobicContact CG1-CD2 4.36Å; V167-F396 HydrophobicContact CG1-CD1 3.92Å; V167-F396 HydrophobicContact CG1-CE1 3.64Å; V167-F398 HydrophobicContact CG1-CB 4.41Å; V167-F398 HydrophobicContact CG1-CD2 4.13Å; V167-F398 HydrophobicContact CG1-CG 4.26Å; V167-F398 HydrophobicContact CG2-CD1 4.14Å; V167-F398 HydrophobicContact CG2-CD2 4.03Å; V167-F398 HydrophobicContact CG2-CE1 3.95Å; V167-F398 HydrophobicContact CG2-CE2 3.86Å; V167-F398 HydrophobicContact CG2-CG 4.17Å; V167-F398 HydrophobicContact CG2-CZ 3.83Å
168G98.6Very high97.3Very high0 Ų026.3 Ų26.30%014%0.142CC..Hα-helixtrans-63.2-37.617700000113.4I118 L164 F165 D166 H171 A172I118-G168 VanDerWaalsContact CD1-C 3.44Å; L164-G168 PolarHBondContact O-N 2.95Å; F165-G168 CarbonylContact O-C 3.57Å; F165-G168 WeakPolarHBondContact O-CA 3.35Å; F165-G168 PolarHBondContact O-N 3.48Å; F165-G168 VanDerWaalsContact O-N 3.12Å; D166-G168 VanDerWaalsContact C-N 3.27Å; D166-G168 PolarHBondContact O-N 3.37Å; G168-H171 PolarHBondContact O-N 3.24Å; G168-A172 WeakPolarHBondContact O-CB 3.09Å; G168-A172 PolarHBondContact O-N 3.47Å
169V98.8Very high97.6Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-61.6-47.7174.41690000110.3I118 F165 D166 V167 H171 L173 F182 F184 I235 F236 L305I118-V169 HydrophobicContact CD1-CB 4.41Å; I118-V169 HydrophobicContact CD1-CG2 3.71Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.48Å; D166-V169 PolarHBondContact O-N 3.35Å; V167-V169 PolarHBondContact O-N 3.47Å; V169-H171 VanDerWaalsContact C-N 3.35Å; V169-L173 HydrophobicContact CG1-CD1 4.12Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 3.45Å; V169-L173 VanDerWaalsContact O-N 3.11Å; V169-F182 HydrophobicContact CB-CE1 4.25Å; V169-F182 HydrophobicContact CG1-CE1 4.02Å; V169-F182 HydrophobicContact CG1-CE2 4.17Å; V169-F182 HydrophobicContact CG1-CZ 3.81Å; V169-F182 HydrophobicContact CG2-CD1 3.95Å; V169-F182 HydrophobicContact CG2-CE1 4.18Å; V169-F182 HydrophobicContact CG2-CG 4.17Å; V169-F184 HydrophobicContact CG2-CE1 3.63Å; V169-F184 HydrophobicContact CG2-CZ 3.77Å; V169-I235 HydrophobicContact CG2-CG1 4.3Å; V169-F236 HydrophobicContact CG1-CE2 4.04Å; V169-F236 HydrophobicContact CG1-CZ 4.24Å; V169-L305 HydrophobicContact CB-CD2 4.11Å; V169-L305 HydrophobicContact CG1-CD1 4.29Å; V169-L305 HydrophobicContact CG1-CD2 4.09Å
170L98.5Very high97.8Very high18 Ų1824.4 Ų24.49%0.09413%0.132CC..Hα-helixtrans-64.7-40.5178.6-62.3178.4000111.7D166 V167 D174 L305 L308 I309 Y314D166-L170 WeakPolarHBondContact O-CG 3.37Å; D166-L170 PolarHBondContact O-N 3Å; D166-L170 VanDerWaalsContact O-N 3.16Å; V167-L170 PolarHBondContact O-N 2.84Å; L170-D174 WeakPolarHBondContact O-CB 3.47Å; L170-D174 PolarHBondContact O-N 3.08Å; L170-L305 HydrophobicContact CD1-CD2 4.46Å; L170-L305 HydrophobicContact CD2-CD2 4.03Å; L170-L305 HydrophobicContact CG-CD2 3.94Å; L170-L308 HydrophobicContact CD1-CB 3.72Å; L170-L308 HydrophobicContact CD1-CD1 4.13Å; L170-I309 HydrophobicContact CD1-CG1 4.09Å; L170-I309 HydrophobicContact CD2-CD1 3.86Å; L170-I309 HydrophobicContact CD2-CG1 3.81Å; L170-Y314 HydrophobicContact CB-CD1 3.91Å; L170-Y314 HydrophobicContact CB-CD2 3.92Å; L170-Y314 HydrophobicContact CB-CE1 4.01Å; L170-Y314 HydrophobicContact CB-CE2 4.03Å; L170-Y314 HydrophobicContact CB-CG 3.89Å; L170-Y314 HydrophobicContact CD1-CD1 4.17Å; L170-Y314 HydrophobicContact CD1-CD2 4.3Å; L170-Y314 HydrophobicContact CD1-CG 3.76Å; L170-Y314 HydrophobicContact CG-CG 4.49Å
171H97.8Very high98Very high17 Ų1724.4 Ų24.48%0.07913%0.132CC..Hα-helixtrans-69.3-40.4179-166.249.1000113V167 G168 V169 L173 D174 I175 Y314 F396V167-H171 WeakPolarHBondContact O-CB 3.31Å; V167-H171 PolarHBondContact O-N 3.19Å; G168-H171 PolarHBondContact O-N 3.24Å; V169-H171 VanDerWaalsContact C-N 3.35Å; H171-L173 PolarHBondContact O-N 3.25Å; H171-D174 PolarHBondContact O-N 3.01Å; H171-I175 PolarHBondContact O-N 3.22Å; H171-I175 VanDerWaalsContact O-N 3.13Å; H171-Y314 VanDerWaalsContact CA-OH 3.29Å; H171-Y314 WeakPolarHBondContact CA-OH 3.24Å; H171-Y314 HydrophobicContact CB-CE2 4.03Å; H171-Y314 PolarHBondContact ND1-OH 2.91Å; H171-F396 AromaticContact CD2-CD2 3.73Å; H171-F396 AromaticContact CD2-CG 3.79Å; H171-F396 AromaticContact CE1-CD2 3.46Å; H171-F396 VanDerWaalsContact CE1-CD2 3.46Å; H171-F396 WeakPolarHBondContact CE1-CD2 3.07Å; H171-F396 AromaticContact CE1-CE2 3.91Å; H171-F396 AromaticContact CG-CD2 3.87Å; H171-F396 AromaticContact ND1-CD2 3.71Å; H171-F396 AromaticContact ND1-CE2 3.88Å; H171-F396 AromaticContact NE2-CD2 3.44Å; H171-F396 WeakPolarHBondContact NE2-CD2 3.35Å; H171-F396 AromaticContact NE2-CG 3.92Å
172A98.7Very high98.1Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-59.2-47.8174.500000111.3A116 F149 G168 D174 I175 D176 I179 F182A116-A172 HydrophobicContact CB-CB 3.86Å; F149-A172 HydrophobicContact CD2-CB 4.11Å; F149-A172 HydrophobicContact CE1-CB 4.19Å; F149-A172 HydrophobicContact CE2-CB 3.53Å; F149-A172 VanDerWaalsContact CZ-CA 3.44Å; F149-A172 HydrophobicContact CZ-CB 3.62Å; G168-A172 WeakPolarHBondContact O-CB 3.09Å; G168-A172 PolarHBondContact O-N 3.47Å; A172-D174 VanDerWaalsContact C-N 3.28Å; A172-D174 PolarHBondContact O-N 3.38Å; A172-I175 PolarHBondContact O-N 3.02Å; A172-D176 PolarHBondContact O-N 2.84Å; A172-I179 HydrophobicContact CB-CD1 3.96Å; A172-I179 WeakPolarHBondContact O-CD1 3.45Å; A172-F182 HydrophobicContact CB-CE1 4.04Å
173L98.5Very high98.2Very high26 Ų2623.2 Ų23.214%0.13613%0.127CC..Hα-helixtrans-68.2-26.1179.3-70.2173000114.3V169 H171 D176 P177 I179 F182 K232 F236V169-L173 HydrophobicContact CG1-CD1 4.12Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 3.45Å; V169-L173 VanDerWaalsContact O-N 3.11Å; H171-L173 PolarHBondContact O-N 3.25Å; L173-D176 CarbonylContact O-C 3.48Å; L173-P177 WeakPolarHBondContact O-CA 3.33Å; L173-I179 HydrophobicContact CD2-CB 4.33Å; L173-I179 WeakPolarHBondContact CD2-O 3.41Å; L173-F182 HydrophobicContact CD1-CZ 4.09Å; L173-F182 HydrophobicContact CD2-CZ 4.01Å; L173-F182 HydrophobicContact CG-CE1 4.5Å; L173-F182 HydrophobicContact CG-CZ 3.89Å; L173-K232 HydrophobicContact CD2-CD 4.08Å; L173-F236 HydrophobicContact CD1-CE2 3.61Å; L173-F236 HydrophobicContact CD1-CZ 3.61Å
174D96.9Very high98.3Very high71 Ų7123.3 Ų23.338%0.3813%0.127SC..Hα-helixtrans-73.8-30.5174.6-179.763.9000112.2L170 H171 A172 Y314 K318L170-D174 WeakPolarHBondContact O-CB 3.47Å; L170-D174 PolarHBondContact O-N 3.08Å; H171-D174 PolarHBondContact O-N 3.01Å; A172-D174 VanDerWaalsContact C-N 3.28Å; A172-D174 PolarHBondContact O-N 3.38Å; D174-Y314 WeakPolarHBondContact CB-OH 3.22Å; D174-Y314 PolarHBondContact OD2-OH 3.49Å; D174-K318 IonicContact OD1-NZ 3.83Å; D174-K318 PolarHBondContact OD1-NZ 3.01Å; D174-K318 WeakPolarHBondContact OD2-CD 2.94Å; D174-K318 WeakPolarHBondContact OD2-CE 3.36Å; D174-K318 IonicContact OD2-NZ 2.99Å; D174-K318 PolarHBondContact OD2-NZ 3.17Å
175I96.7Very high98.4Very high76 Ų7623.3 Ų23.339%0.3913%0.127SC..Hα-helixtrans-80.6-44.8173.3-67.6-176.9000111.1F149 H171 A172 I394F149-I175 HydrophobicContact CE1-CD1 3.71Å; F149-I175 HydrophobicContact CZ-CD1 4.46Å; H171-I175 PolarHBondContact O-N 3.22Å; H171-I175 VanDerWaalsContact O-N 3.13Å; A172-I175 PolarHBondContact O-N 3.02Å; I175-I394 HydrophobicContact CD1-CD1 4.07Å; I175-I394 HydrophobicContact CD1-CG2 3.7Å
176D98.2Very high98.3Very high17 Ų1724.4 Ų24.49%0.09113%0.133CC..  trans-142.4100.7-179.2-168.2-39.9000110.9K114 Y147 A172 L173 D178 I179K114-D176 HydrophobicContact CD-CB 4.46Å; K114-D176 VanDerWaalsContact CD-CG 3.44Å; K114-D176 WeakPolarHBondContact CD-OD1 3.15Å; K114-D176 WeakPolarHBondContact CD-OD2 3.45Å; K114-D176 WeakPolarHBondContact CE-OD2 3.45Å; K114-D176 IonicContact NZ-OD1 3.08Å; K114-D176 PolarHBondContact NZ-OD1 2.79Å; K114-D176 IonicContact NZ-OD2 3.69Å; K114-D176 PolarHBondContact NZ-OD2 3.1Å; Y147-D176 HydrophobicContact CE2-CB 4.37Å; Y147-D176 PolarHBondContact OH-OD2 2.77Å; A172-D176 PolarHBondContact O-N 2.84Å; L173-D176 CarbonylContact O-C 3.48Å; D176-D178 PolarHBondContact O-N 2.83Å; D176-D178 VanDerWaalsContact O-N 3.14Å; D176-D178 WeakPolarHBondContact OD1-CB 3.36Å; D176-D178 PolarHBondContact OD1-N 3.25Å; D176-I179 HydrophobicContact CB-CD1 3.73Å; D176-I179 HydrophobicContact CB-CG1 3.92Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.07Å; D176-I179 PolarHBondContact O-N 3.32Å
177P98.3Very high98.3Very high84 Ų8424.9 Ų24.955%0.54514%0.136SC..THydrogen-bonded Turntrans-61.6-20.4-178.8-2635.2000114.8L173 I179 K232L173-P177 WeakPolarHBondContact O-CA 3.33Å; P177-I179 VanDerWaalsContact C-N 3.32Å; P177-K232 PolarHBondContact O-NZ 2.83Å
178D98.1Very high98.2Very high117 Ų11726.2 Ų26.263%0.62614%0.143SC*.THydrogen-bonded Turntrans-83.5-8.2-178.2-56.8-35.8000112.7K114 D176 N180K114-D178 HydrophobicContact CD-CB 4.38Å; K114-D178 IonicContact NZ-OD2 2.84Å; D176-D178 PolarHBondContact O-N 2.83Å; D176-D178 VanDerWaalsContact O-N 3.14Å; D176-D178 WeakPolarHBondContact OD1-CB 3.36Å; D176-D178 PolarHBondContact OD1-N 3.25Å; D178-N180 PolarHBondContact O-N 3.17Å; D178-N180 VanDerWaalsContact O-N 3.16Å
179I98.7Very high98.2Very high0 Ų026.7 Ų26.70%015%0.146CC..  trans-53.5124.4170.8-73167.6000108.6K114 A116 Y147 F149 A172 L173 D176 P177 F182 K232K114-I179 HydrophobicContact CD-CG1 3.8Å; K114-I179 HydrophobicContact CG-CG1 3.91Å; A116-I179 HydrophobicContact CB-CD1 4.22Å; A116-I179 HydrophobicContact CB-CG2 3.7Å; Y147-I179 HydrophobicContact CD2-CD1 3.87Å; Y147-I179 HydrophobicContact CD2-CG1 4.25Å; Y147-I179 HydrophobicContact CE2-CD1 4.27Å; Y147-I179 HydrophobicContact CE2-CG1 4.42Å; Y147-I179 HydrophobicContact CG-CD1 4.39Å; F149-I179 HydrophobicContact CE2-CD1 4.29Å; F149-I179 HydrophobicContact CZ-CD1 4.33Å; A172-I179 HydrophobicContact CB-CD1 3.96Å; A172-I179 WeakPolarHBondContact O-CD1 3.45Å; L173-I179 HydrophobicContact CD2-CB 4.33Å; L173-I179 WeakPolarHBondContact CD2-O 3.41Å; D176-I179 HydrophobicContact CB-CD1 3.73Å; D176-I179 HydrophobicContact CB-CG1 3.92Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.07Å; D176-I179 PolarHBondContact O-N 3.32Å; P177-I179 VanDerWaalsContact C-N 3.32Å; I179-F182 HydrophobicContact CG2-CD1 4.23Å; I179-F182 HydrophobicContact CG2-CE1 3.62Å; I179-F182 HydrophobicContact CG2-CZ 3.82Å; I179-K232 WeakPolarHBondContact O-CD 3.4Å
180N98.5Very high98.1Very high58 Ų5826.8 Ų26.831%0.3115%0.146SC..  trans-130.5-4.2-173.867.10.8000113.6T112 Q113 K114 D178 S231 K232T112-N180 PolarHBondContact O-ND2 2.9Å; Q113-N180 VanDerWaalsContact CA-OD1 3.25Å; Q113-N180 WeakPolarHBondContact CA-OD1 3.48Å; K114-N180 PolarHBondContact N-OD1 3.04Å; K114-N180 PolarHBondContact O-N 2.87Å; K114-N180 VanDerWaalsContact O-N 3.12Å; K114-N180 PolarHBondContact O-OD1 2.77Å; D178-N180 PolarHBondContact O-N 3.17Å; D178-N180 VanDerWaalsContact O-N 3.16Å; N180-S231 WeakPolarHBondContact O-CA 3.38Å; N180-K232 PolarHBondContact O-N 2.94Å
181C98.7Very high98.1Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-129.1126.8174.5177.30000111K114 I115 A116 C200K114-C181 PolarHBondContact O-N 2.86Å; I115-C181 CarbonylContact C-O 3.56Å; I115-C181 WeakPolarHBondContact CA-O 3.49Å; I115-C181 HydrophobicContact CG1-CB 4.28Å; A116-C181 PolarHBondContact N-O 3.36Å; C181-C200 WeakPolarHBondContact CA-SG 3.46Å; C181-C200 HydrophobicContact CB-CB 3.75Å; C181-C200 WeakPolarHBondContact CB-SG 3.25Å; C181-C200 WeakPolarHBondContact SG-CB 3.2Å; C181-C200 PolarHBondContact SG-N 2.93Å; C181-C200 CovalentContact SG-SG 2.04Å; C181-C200 PolarHBondContact SG-SG 2.84Å
182F98.9Very high98.1Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-112.8127.7178.4-61.7-78.3000110.4A116 I118 V169 A172 L173 I179 F184 A229 M230 K232 I235A116-F182 HydrophobicContact CB-CD1 3.84Å; A116-F182 HydrophobicContact CB-CE1 4.13Å; A116-F182 WeakPolarHBondContact O-CA 3.07Å; I118-F182 HydrophobicContact CD1-CD1 3.74Å; I118-F182 HydrophobicContact CD1-CE1 4.46Å; V169-F182 HydrophobicContact CB-CE1 4.25Å; V169-F182 HydrophobicContact CG1-CE1 4.02Å; V169-F182 HydrophobicContact CG1-CE2 4.17Å; V169-F182 HydrophobicContact CG1-CZ 3.81Å; V169-F182 HydrophobicContact CG2-CD1 3.95Å; V169-F182 HydrophobicContact CG2-CE1 4.18Å; V169-F182 HydrophobicContact CG2-CG 4.17Å; A172-F182 HydrophobicContact CB-CE1 4.04Å; L173-F182 HydrophobicContact CD1-CZ 4.09Å; L173-F182 HydrophobicContact CD2-CZ 4.01Å; L173-F182 HydrophobicContact CG-CE1 4.5Å; L173-F182 HydrophobicContact CG-CZ 3.89Å; I179-F182 HydrophobicContact CG2-CD1 4.23Å; I179-F182 HydrophobicContact CG2-CE1 3.62Å; I179-F182 HydrophobicContact CG2-CZ 3.82Å; F182-F184 HydrophobicContact CB-CE1 4.29Å; F182-F184 HydrophobicContact CB-CE2 3.82Å; F182-F184 HydrophobicContact CB-CZ 3.66Å; F182-F184 HydrophobicContact CG-CZ 4.37Å; F182-A229 CarbonylContact O-C 3.51Å; F182-A229 VanDerWaalsContact O-CA 3.27Å; F182-A229 WeakPolarHBondContact O-CA 3.4Å; F182-M230 PolarHBondContact N-O 2.66Å; F182-M230 PolarHBondContact O-N 2.88Å; F182-K232 HydrophobicContact CD2-CB 4.48Å; F182-K232 HydrophobicContact CE2-CB 3.77Å; F182-K232 HydrophobicContact CE2-CG 4.11Å; F182-I235 HydrophobicContact CD2-CG2 3.82Å; F182-I235 HydrophobicContact CE2-CG2 3.91Å
183I98.9Very high97.9Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-107.7114.4171.2-43.3-60.8000107.4I115 A116 V117 I118 Y198 L207 V227 V228 A229I115-I183 HydrophobicContact CG2-CD1 4.29Å; I115-I183 HydrophobicContact CG2-CG1 3.59Å; A116-I183 PolarHBondContact O-N 2.83Å; V117-I183 CarbonylContact C-O 3.38Å; V117-I183 WeakPolarHBondContact CA-O 3.18Å; V117-I183 HydrophobicContact CB-CB 4.43Å; V117-I183 HydrophobicContact CG1-CB 4.36Å; V117-I183 HydrophobicContact CG2-CB 4.11Å; V117-I183 HydrophobicContact CG2-CG1 4.14Å; I118-I183 PolarHBondContact N-O 2.83Å; I183-Y198 HydrophobicContact CB-CD1 4.49Å; I183-Y198 HydrophobicContact CG1-CD1 4.33Å; I183-Y198 HydrophobicContact CG2-CD1 3.81Å; I183-Y198 HydrophobicContact CG2-CE1 4.1Å; I183-Y198 HydrophobicContact CG2-CG 4.38Å; I183-L207 HydrophobicContact CD1-CD1 4.33Å; I183-L207 HydrophobicContact CG2-CD1 3.81Å; I183-V227 HydrophobicContact CG2-CG1 3.94Å; I183-V228 CarbonylContact C-O 3.6Å; I183-V228 WeakPolarHBondContact CA-O 3.22Å; I183-A229 HydrophobicContact CD1-CB 3.38Å
184F98.9Very high97.7Very high1 Ų129.2 Ų29.20%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-94.1116.4176.3-56.8-74.2000107.6I118 F165 V169 F182 V227 V228 M230 I235 F241 F255I118-F184 HydrophobicContact CB-CD1 4.49Å; I118-F184 HydrophobicContact CD1-CD1 4.32Å; I118-F184 HydrophobicContact CD1-CE1 3.92Å; F165-F184 HydrophobicContact CB-CD1 3.63Å; F165-F184 HydrophobicContact CB-CE1 3.91Å; F165-F184 HydrophobicContact CD1-CB 3.84Å; F165-F184 AromaticContact CD1-CD1 3.48Å; F165-F184 HydrophobicContact CD1-CD1 3.48Å; F165-F184 VanDerWaalsContact CD1-CD1 3.48Å; F165-F184 HydrophobicContact CD1-CE1 4.49Å; F165-F184 HydrophobicContact CD1-CG 4.13Å; F165-F184 HydrophobicContact CD2-CB 4.3Å; F165-F184 HydrophobicContact CD2-CD1 4.27Å; F165-F184 HydrophobicContact CE1-CB 3.55Å; F165-F184 HydrophobicContact CE1-CD1 4.1Å; F165-F184 HydrophobicContact CE1-CG 4.33Å; F165-F184 HydrophobicContact CE2-CB 4.08Å; F165-F184 HydrophobicContact CG-CB 4.21Å; F165-F184 AromaticContact CG-CD1 3.57Å; F165-F184 HydrophobicContact CG-CD1 3.57Å; F165-F184 HydrophobicContact CG-CE1 4.35Å; F165-F184 HydrophobicContact CG-CG 4.26Å; F165-F184 HydrophobicContact CZ-CB 3.71Å; V169-F184 HydrophobicContact CG2-CE1 3.63Å; V169-F184 HydrophobicContact CG2-CZ 3.77Å; F182-F184 HydrophobicContact CB-CE1 4.29Å; F182-F184 HydrophobicContact CB-CE2 3.82Å; F182-F184 HydrophobicContact CB-CZ 3.66Å; F182-F184 HydrophobicContact CG-CZ 4.37Å; F184-V227 VanDerWaalsContact O-CA 3.28Å; F184-V227 WeakPolarHBondContact O-CA 3.23Å; F184-V228 HydrophobicContact CB-CG2 3.8Å; F184-V228 HydrophobicContact CD2-CG2 3.94Å; F184-V228 HydrophobicContact CG-CG2 4.31Å; F184-V228 PolarHBondContact N-O 3.23Å; F184-V228 PolarHBondContact O-N 3.05Å; F184-M230 HydrophobicContact CE2-CB 4.23Å; F184-I235 HydrophobicContact CE2-CD1 3.8Å; F184-I235 HydrophobicContact CE2-CG1 4.47Å; F184-I235 HydrophobicContact CZ-CD1 3.5Å; F184-I235 VanDerWaalsContact CZ-CD1 3.5Å; F184-I235 HydrophobicContact CZ-CG1 3.89Å; F184-F241 HydrophobicContact CB-CE2 4.3Å; F184-F241 HydrophobicContact CB-CZ 4.05Å; F184-F241 HydrophobicContact CD1-CD2 4.47Å; F184-F241 AromaticContact CD1-CE2 3.58Å; F184-F241 HydrophobicContact CD1-CE2 3.58Å; F184-F241 HydrophobicContact CD1-CZ 4.19Å; F184-F241 AromaticContact CD2-CE2 3.76Å; F184-F241 HydrophobicContact CD2-CE2 3.76Å; F184-F241 AromaticContact CD2-CZ 3.99Å; F184-F241 HydrophobicContact CD2-CZ 3.99Å; F184-F241 HydrophobicContact CE1-CD2 4.33Å; F184-F241 AromaticContact CE1-CE2 3.68Å; F184-F241 HydrophobicContact CE1-CE2 3.68Å; F184-F241 AromaticContact CE2-CE2 3.87Å; F184-F241 HydrophobicContact CE2-CE2 3.87Å; F184-F241 HydrophobicContact CE2-CZ 4.49Å; F184-F241 AromaticContact CG-CE2 3.59Å; F184-F241 HydrophobicContact CG-CE2 3.59Å; F184-F241 AromaticContact CG-CZ 3.79Å; F184-F241 HydrophobicContact CG-CZ 3.79Å; F184-F241 AromaticContact CZ-CE2 3.83Å; F184-F241 HydrophobicContact CZ-CE2 3.83Å; F184-F255 HydrophobicContact CD2-CZ 4.49Å; F184-F255 HydrophobicContact CE2-CZ 4.29Å
185H98.8Very high97.5Very high0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-132.8116.2-164.3-170.1-58000112.3V117 I118 I119 P120 L131 V187 L189 Y198 V227V117-H185 HydrophobicContact CG1-CB 3.94Å; I118-H185 PolarHBondContact O-N 3.38Å; I119-H185 HydrophobicContact CG1-CB 4.29Å; P120-H185 WeakPolarHBondContact CD-O 3.22Å; L131-H185 VanDerWaalsContact CD1-CE1 3.44Å; L131-H185 WeakPolarHBondContact CD1-CE1 3.02Å; H185-V187 PolarHBondContact O-N 3.21Å; H185-L189 PolarHBondContact CE1-O 3.04Å; H185-Y198 AromaticContact CD2-CE1 3.61Å; H185-Y198 AromaticContact CD2-CZ 3.83Å; H185-Y198 PolarHBondContact CD2-OH 3.39Å; H185-Y198 VanDerWaalsContact CD2-OH 3.28Å; H185-Y198 PolarHBondContact NE2-OH 3.41Å; H185-V227 HydrophobicContact CB-CG1 4.13Å; H185-V227 VanDerWaalsContact CD2-CG1 3.46Å; H185-V227 WeakPolarHBondContact CD2-CG1 3.43Å
186D97.7Very high97.4Very high27 Ų2724.2 Ų24.214%0.14413%0.128CC..  trans-62.6130.3171.8-74.5-1.8000111.2R161 D188 L189 G226R161-D186 WeakPolarHBondContact CD-OD1 3.25Å; R161-D186 IonicContact CZ-OD1 3.46Å; R161-D186 IonicContact NE-OD1 2.78Å; R161-D186 PolarHBondContact NE-OD1 2.9Å; D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 VanDerWaalsContact O-N 3.1Å; D186-L189 HydrophobicContact CB-CD1 4.1Å; D186-L189 HydrophobicContact CB-CG 4.16Å; D186-L189 PolarHBondContact O-N 3.2Å; D186-G226 VanDerWaalsContact CG-O 3.25Å; D186-G226 PolarHBondContact N-O 3.44Å; D186-G226 VanDerWaalsContact N-O 3.08Å; D186-G226 WeakPolarHBondContact OD2-CA 3.49Å
187V97.9Very high97.2Very high10 Ų1024 Ų246%0.06113%0.127CC..THydrogen-bonded Turntrans-63.6-19.6-173.768.70000113.8I119 Y121 R124 H127 L128 H185I119-V187 HydrophobicContact CG2-CB 3.67Å; I119-V187 HydrophobicContact CG2-CG2 3.88Å; Y121-V187 HydrophobicContact CD2-CG2 4.34Å; R124-V187 HydrophobicContact CB-CG1 3.73Å; R124-V187 HydrophobicContact CB-CG2 4.46Å; R124-V187 HydrophobicContact CG-CG1 3.97Å; H127-V187 HydrophobicContact CB-CG1 4.43Å; H127-V187 HydrophobicContact CB-CG2 4.18Å; H127-V187 WeakPolarHBondContact CB-O 3.21Å; L128-V187 HydrophobicContact CB-CG2 3.92Å; L128-V187 HydrophobicContact CD1-CG2 4.26Å; H185-V187 PolarHBondContact O-N 3.21Å
188D96.2Very high97.1Very high28 Ų2820 Ų2015%0.1510%0.101CC..THydrogen-bonded Turntrans-104.316.1-175.558.20.3000114.2R124 H127 D186 A278 P279 H281R124-D188 IonicContact NH1-OD2 2.6Å; R124-D188 PolarHBondContact NH1-OD2 2.99Å; H127-D188 HydrophobicContact CB-CB 4.37Å; H127-D188 VanDerWaalsContact CD2-CB 3.45Å; H127-D188 WeakPolarHBondContact CD2-CB 3.44Å; D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 VanDerWaalsContact O-N 3.1Å; D188-A278 WeakPolarHBondContact O-CA 3.43Å; D188-P279 WeakPolarHBondContact O-CD 3.49Å; D188-H281 IonicContact OD2-CE1 3.77Å; D188-H281 PolarHBondContact OD2-CE1 2.71Å; D188-H281 IonicContact OD2-ND1 2.83Å; D188-H281 IonicContact OD2-NE2 3.48Å; D188-H281 PolarHBondContact OD2-NE2 3.36Å
189L98.1Very high97Very high11 Ų1114.8 Ų14.86%0.0587%0.073CC..  trans-110.8119171-66.3-178.1000110.5H185 D186 V211 V227 Y276 A278H185-L189 PolarHBondContact CE1-O 3.04Å; D186-L189 HydrophobicContact CB-CD1 4.1Å; D186-L189 HydrophobicContact CB-CG 4.16Å; D186-L189 PolarHBondContact O-N 3.2Å; L189-V211 HydrophobicContact CD1-CG2 4.43Å; L189-V211 HydrophobicContact CD2-CG1 3.72Å; L189-V211 HydrophobicContact CD2-CG2 4.13Å; L189-V227 HydrophobicContact CB-CG2 4.19Å; L189-V227 HydrophobicContact CD1-CG2 4.01Å; L189-Y276 HydrophobicContact CB-CD1 3.71Å; L189-Y276 HydrophobicContact CB-CE1 4.48Å; L189-Y276 HydrophobicContact CB-CG 4.31Å; L189-A278 HydrophobicContact CD2-CB 4.05Å
190L98.2Very high96.9Very high1 Ų115.3 Ų15.31%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-101.4119.7-179.5-54-180000109.8L130 L131 E192 Y276 K277 P279L130-L190 HydrophobicContact CB-CD1 4.14Å; L130-L190 HydrophobicContact CB-CD2 3.96Å; L131-L190 HydrophobicContact CB-CD2 3.91Å; L131-L190 HydrophobicContact CD1-CD2 4.34Å; L190-E192 PolarHBondContact O-N 3.25Å; L190-Y276 CarbonylContact O-C 3.57Å; L190-Y276 WeakPolarHBondContact O-CA 3.33Å; L190-K277 HydrophobicContact CB-CB 4.24Å; L190-K277 WeakPolarHBondContact CB-O 3.42Å; L190-K277 PolarHBondContact N-O 2.9Å; L190-K277 PolarHBondContact O-N 3.4Å; L190-P279 HydrophobicContact CD1-CG 3.55Å; L190-P279 HydrophobicContact CG-CG 3.91Å
191P97.6Very high96.7Very high0 Ų013.9 Ų13.90%07%0.068CC..EExtended strand (participates in β ladder)trans-64.7136177.725.9-33.1000110.8L79 R134 L138 Y276L79-P191 HydrophobicContact CD1-CB 4.36Å; L79-P191 HydrophobicContact CD1-CG 4.42Å; L79-P191 WeakPolarHBondContact CD1-O 3.42Å; R134-P191 HydrophobicContact CB-CG 4.21Å; L138-P191 HydrophobicContact CD1-CB 4Å; L138-P191 HydrophobicContact CD1-CG 4.12Å; P191-Y276 HydrophobicContact CB-CD1 4.22Å; P191-Y276 HydrophobicContact CB-CE1 3.73Å; P191-Y276 HydrophobicContact CG-CE1 4.35Å
192E96.9Very high96.5Very high39 Ų3919 Ų1918%0.18210%0.1CC..  trans-97.2-23.9-179.8-64.7-176-169.400113.4L190 Y216 R275 K277L190-E192 PolarHBondContact O-N 3.25Å; E192-Y216 WeakPolarHBondContact OE1-CE1 3.42Å; E192-Y216 PolarHBondContact OE1-OH 3.06Å; E192-Y216 PolarHBondContact OE2-OH 3.17Å; E192-R275 HydrophobicContact CB-CB 3.93Å; E192-R275 HydrophobicContact CG-CB 4.21Å; E192-R275 PolarHBondContact N-O 3.02Å; E192-K277 HydrophobicContact CG-CB 4.27Å
193K95.1Very high96.4Very high73 Ų7321 Ų2132%0.31711%0.109SC..  trans-124.7127.6-174.3-61.9-62.7-176.7-1760111.4E195 N196 I273K193-E195 PolarHBondContact O-N 3.12Å; K193-N196 WeakPolarHBondContact O-CB 3.45Å; K193-N196 PolarHBondContact O-N 2.89Å; K193-I273 WeakPolarHBondContact CB-O 3.07Å
194S93.7Very high96.4Very high0 Ų021 Ų210%011%0.109CC..THydrogen-bonded Turntrans-80.5-9-177.361.50000113D76 I77 R141 N196D76-S194 PolarHBondContact OD1-OG 3.13Å; I77-S194 PolarHBondContact N-OG 3.25Å; I77-S194 PolarHBondContact O-OG 2.88Å; I77-S194 VanDerWaalsContact O-OG 3.07Å; R141-S194 PolarHBondContact NH1-OG 3.26Å; S194-N196 PolarHBondContact O-N 3.41Å
195E92.9Very high96.3Very high41 Ų4121 Ų2119%0.19211%0.109CC..THydrogen-bonded Turntrans-70.2-15.2166.1-65.465.7-138.300113P53 D76 R141 K193 F197 I273P53-E195 HydrophobicContact CG-CB 4.28Å; P53-E195 WeakPolarHBondContact CG-O 3.45Å; D76-E195 WeakPolarHBondContact CA-OE1 3.3Å; D76-E195 VanDerWaalsContact CB-OE1 3.29Å; D76-E195 WeakPolarHBondContact CB-OE1 2.89Å; D76-E195 VanDerWaalsContact CG-OE1 3.23Å; R141-E195 IonicContact CZ-OE1 2.87Å; R141-E195 IonicContact NH1-OE1 4Å; R141-E195 PolarHBondContact NH1-OE1 3.25Å; R141-E195 IonicContact NH2-OE1 3.17Å; R141-E195 PolarHBondContact NH2-OE1 3.01Å; K193-E195 PolarHBondContact O-N 3.12Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 WeakPolarHBondContact O-CD1 3.18Å; E195-F197 PolarHBondContact O-N 3.19Å; E195-I273 HydrophobicContact CB-CD1 4.47Å; E195-I273 HydrophobicContact CB-CG1 4.43Å; E195-I273 HydrophobicContact CB-CG2 3.92Å
196N95.1Very high96.3Very high1 Ų121.3 Ų21.31%0.00511%0.11CC..SBendtrans-7588.1176.1-1674.4000110Q142 K193 S194 Y198 L207 I273 Y276Q142-N196 PolarHBondContact NE2-O 2.88Å; K193-N196 WeakPolarHBondContact O-CB 3.45Å; K193-N196 PolarHBondContact O-N 2.89Å; S194-N196 PolarHBondContact O-N 3.41Å; N196-Y198 WeakPolarHBondContact O-CD2 3.27Å; N196-L207 PolarHBondContact ND2-O 2.83Å; N196-I273 HydrophobicContact CB-CG2 3.96Å; N196-Y276 VanDerWaalsContact ND2-CE2 3.31Å; N196-Y276 WeakPolarHBondContact ND2-CE2 3.4Å; N196-Y276 PolarHBondContact ND2-OH 2.57Å
197F94.2Very high96.3Very high14 Ų1420 Ų206%0.06110%0.103CC..  trans-64.8135.4-175-65.2-19.1000112.5P53 T57 P72 Q142 E195 I199 R205 L207P53-F197 HydrophobicContact CB-CD2 3.78Å; P53-F197 HydrophobicContact CB-CE2 3.5Å; P53-F197 HydrophobicContact CB-CG 4.48Å; P53-F197 HydrophobicContact CB-CZ 3.99Å; T57-F197 HydrophobicContact CG2-CD2 4.27Å; T57-F197 HydrophobicContact CG2-CE2 3.91Å; P72-F197 HydrophobicContact CB-CE1 3.92Å; P72-F197 HydrophobicContact CB-CE2 3.94Å; P72-F197 HydrophobicContact CB-CZ 3.52Å; P72-F197 HydrophobicContact CG-CD2 4.29Å; P72-F197 HydrophobicContact CG-CE1 4.47Å; P72-F197 HydrophobicContact CG-CE2 3.88Å; P72-F197 HydrophobicContact CG-CZ 3.98Å; Q142-F197 HydrophobicContact CG-CD1 3.79Å; Q142-F197 HydrophobicContact CG-CE1 4.33Å; Q142-F197 HydrophobicContact CG-CG 4.49Å; Q142-F197 VanDerWaalsContact NE2-CA 3.3Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 WeakPolarHBondContact O-CD1 3.18Å; E195-F197 PolarHBondContact O-N 3.19Å; F197-I199 VanDerWaalsContact C-N 3.32Å; F197-I199 HydrophobicContact CB-CD1 3.89Å; F197-I199 HydrophobicContact CB-CG1 3.85Å; F197-I199 HydrophobicContact CD2-CD1 4.18Å; F197-I199 PolarHBondContact O-N 3.36Å; F197-R205 VanDerWaalsContact O-CZ 3.23Å; F197-R205 PolarHBondContact O-NH1 3.38Å; F197-R205 PolarHBondContact O-NH2 3.03Å; F197-L207 WeakPolarHBondContact O-CD2 3.26Å
198Y96.7Very high96.3Very high0 Ų019.7 Ų19.70%010%0.102CC..  trans-96.963.9177.8-83.5-148.2000109.1I115 V117 L135 L138 L139 Q142 I183 H185 N196 L207 Y276I115-Y198 VanDerWaalsContact CD1-O 3.22Å; I115-Y198 WeakPolarHBondContact CD1-O 3.28Å; V117-Y198 HydrophobicContact CG2-CD1 4.27Å; L135-Y198 HydrophobicContact CD1-CD1 3.98Å; L135-Y198 HydrophobicContact CD1-CE1 3.46Å; L135-Y198 VanDerWaalsContact CD1-CE1 3.46Å; L138-Y198 HydrophobicContact CD1-CD2 4.49Å; L138-Y198 HydrophobicContact CD1-CE2 4.14Å; L138-Y198 HydrophobicContact CD2-CD1 4.17Å; L138-Y198 HydrophobicContact CD2-CD2 3.71Å; L138-Y198 HydrophobicContact CD2-CE1 4.42Å; L138-Y198 HydrophobicContact CD2-CE2 3.98Å; L138-Y198 HydrophobicContact CD2-CG 3.8Å; L139-Y198 HydrophobicContact CD2-CD1 4.04Å; L139-Y198 HydrophobicContact CD2-CG 4.2Å; Q142-Y198 VanDerWaalsContact CD-N 3.31Å; Q142-Y198 VanDerWaalsContact NE2-N 3.16Å; I183-Y198 HydrophobicContact CB-CD1 4.49Å; I183-Y198 HydrophobicContact CG1-CD1 4.33Å; I183-Y198 HydrophobicContact CG2-CD1 3.81Å; I183-Y198 HydrophobicContact CG2-CE1 4.1Å; I183-Y198 HydrophobicContact CG2-CG 4.38Å; H185-Y198 AromaticContact CD2-CE1 3.61Å; H185-Y198 AromaticContact CD2-CZ 3.83Å; H185-Y198 PolarHBondContact CD2-OH 3.39Å; H185-Y198 VanDerWaalsContact CD2-OH 3.28Å; H185-Y198 PolarHBondContact NE2-OH 3.41Å; N196-Y198 WeakPolarHBondContact O-CD2 3.27Å; Y198-L207 HydrophobicContact CD2-CD1 3.95Å; Y198-L207 HydrophobicContact CE2-CD1 4.19Å; Y198-L207 HydrophobicContact CG-CD1 4.26Å; Y198-Y276 WeakPolarHBondContact CE2-OH 3.33Å; Y198-Y276 WeakPolarHBondContact OH-CE1 3.34Å; Y198-Y276 PolarHBondContact OH-OH 2.87Å
199I94.8Very high96.3Very high7 Ų718.4 Ų18.44%0.03610%0.095CC..  trans-128.4156.7-178.459.5-178.6000109.7L56 I115 M144 F197 R205L56-I199 HydrophobicContact CB-CD1 3.52Å; L56-I199 HydrophobicContact CB-CG1 4.48Å; L56-I199 HydrophobicContact CD1-CD1 3.99Å; L56-I199 HydrophobicContact CD1-CG1 4.21Å; L56-I199 HydrophobicContact CG-CD1 4.33Å; I115-I199 HydrophobicContact CD1-CG2 4.29Å; M144-I199 HydrophobicContact CG-CG2 4.49Å; F197-I199 VanDerWaalsContact C-N 3.32Å; F197-I199 HydrophobicContact CB-CD1 3.89Å; F197-I199 HydrophobicContact CB-CG1 3.85Å; F197-I199 HydrophobicContact CD2-CD1 4.18Å; F197-I199 PolarHBondContact O-N 3.36Å; I199-R205 PolarHBondContact O-NH1 3.04Å
200C96.5Very high96.3Very high10 Ų1017.9 Ų17.97%0.0689%0.092CC..  trans-95.3143.1178.5-64.20000110Q113 C181 M230Q113-C200 PolarHBondContact NE2-O 3.25Å; Q113-C200 PolarHBondContact OE1-O 3.5Å; C181-C200 WeakPolarHBondContact CA-SG 3.46Å; C181-C200 HydrophobicContact CB-CB 3.75Å; C181-C200 WeakPolarHBondContact CB-SG 3.25Å; C181-C200 WeakPolarHBondContact SG-CB 3.2Å; C181-C200 PolarHBondContact SG-N 2.93Å; C181-C200 CovalentContact SG-SG 2.04Å; C181-C200 PolarHBondContact SG-SG 2.84Å; C200-M230 PolarHBondContact SG-O 3.02Å
201D94.4Very high96.2Very high29 Ų2918.6 Ų18.616%0.15510%0.097CC..  trans-104.9-165162.259.124.3000109.5L56 E203 T267L56-D201 HydrophobicContact CD2-CB 4.34Å; D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 WeakPolarHBondContact OD1-CA 3.44Å; D201-E203 WeakPolarHBondContact OD1-CB 3.31Å; D201-E203 PolarHBondContact OD1-N 3.22Å; D201-T267 VanDerWaalsContact OD2-CB 3.24Å; D201-T267 WeakPolarHBondContact OD2-CB 3.46Å; D201-T267 WeakPolarHBondContact OD2-CG2 3.22Å; D201-T267 PolarHBondContact OD2-OG1 3.21Å
202T95Very high96.2Very high107 Ų10720 Ų2066%0.65610%0.104SC*.SBendtrans-80.70.3178.755.10000113.9N234T202-N234 PolarHBondContact O-ND2 3.48Å
203E96.9Very high96Very high42 Ų4221.7 Ų21.720%0.19611%0.114CC..SBendtrans-115.2-158.4-170.7-56.9-56.8153.700111.3D201 N234 L264 K265 T267D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 WeakPolarHBondContact OD1-CA 3.44Å; D201-E203 WeakPolarHBondContact OD1-CB 3.31Å; D201-E203 PolarHBondContact OD1-N 3.22Å; E203-N234 PolarHBondContact O-ND2 3.28Å; E203-L264 WeakPolarHBondContact OE2-CA 3.29Å; E203-K265 HydrophobicContact CB-CB 4.47Å; E203-K265 HydrophobicContact CG-CB 4.16Å; E203-K265 PolarHBondContact OE2-N 3.25Å; E203-T267 HydrophobicContact CB-CG2 3.85Å; E203-T267 HydrophobicContact CG-CG2 3.9Å
204L97.8Very high95.9Very high0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-102.7109.5162.8166.452.6000108A224 V228 M230 F255 K265 L266 T267L204-A224 HydrophobicContact CD2-CB 3.99Å; L204-A224 HydrophobicContact CG-CB 4.47Å; L204-V228 HydrophobicContact CD1-CB 3.98Å; L204-V228 HydrophobicContact CD1-CG1 4.33Å; L204-V228 HydrophobicContact CD1-CG2 4.45Å; L204-M230 HydrophobicContact CB-CE 3.67Å; L204-M230 HydrophobicContact CD1-CE 3.69Å; L204-M230 HydrophobicContact CD2-CE 4.19Å; L204-M230 HydrophobicContact CG-CE 4.03Å; L204-F255 HydrophobicContact CD1-CD1 4.36Å; L204-F255 HydrophobicContact CD1-CE1 3.55Å; L204-F255 HydrophobicContact CD1-CZ 4.33Å; L204-F255 HydrophobicContact CD2-CD1 4.18Å; L204-F255 HydrophobicContact CD2-CE1 4.07Å; L204-F255 HydrophobicContact CG-CE1 4.49Å; L204-K265 PolarHBondContact N-O 3.4Å; L204-K265 VanDerWaalsContact N-O 3.13Å; L204-L266 HydrophobicContact CB-CD2 4.06Å; L204-L266 HydrophobicContact CD2-CD2 3.5Å; L204-L266 HydrophobicContact CG-CD2 3.56Å; L204-L266 WeakPolarHBondContact O-CA 3.5Å; L204-T267 PolarHBondContact O-N 3.42Å
205R97.6Very high96Very high2 Ų232.1 Ų32.11%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-93.9113.9-176.2-174164175.1-115.1-12111.3L56 F197 I199 L207 V228 A229 T267L56-R205 VanDerWaalsContact CD1-CZ 3.42Å; F197-R205 VanDerWaalsContact O-CZ 3.23Å; F197-R205 PolarHBondContact O-NH1 3.38Å; F197-R205 PolarHBondContact O-NH2 3.03Å; I199-R205 PolarHBondContact O-NH1 3.04Å; R205-L207 HydrophobicContact CG-CD2 3.97Å; R205-L207 PolarHBondContact O-N 2.96Å; R205-V228 CarbonylContact O-C 3.22Å; R205-V228 WeakPolarHBondContact O-CA 3.23Å; R205-A229 HydrophobicContact CB-CB 4.18Å; R205-A229 PolarHBondContact N-O 3.29Å; R205-A229 PolarHBondContact O-N 2.8Å; R205-T267 CarbonylContact C-O 3.59Å; R205-T267 WeakPolarHBondContact CA-O 3.32Å; R205-T267 WeakPolarHBondContact CA-OG1 3.03Å; R205-T267 VanDerWaalsContact CB-OG1 3.23Å; R205-T267 WeakPolarHBondContact CB-OG1 3.29Å; R205-T267 WeakPolarHBondContact CG-OG1 3.31Å
206H98Very high96.2Very high5 Ų533 Ų332%0.02316%0.16CC..EExtended strand (participates in β ladder)trans-88.4102174.4179.2-141.2000109.4S208 P209 S223 G225 V228 T267 R268 P269H206-S208 PolarHBondContact CE1-O 3Å; H206-S208 PolarHBondContact NE2-O 3.47Å; H206-S208 PolarHBondContact NE2-OG 3.12Å; H206-P209 VanDerWaalsContact CE1-CA 3.45Å; H206-P209 WeakPolarHBondContact CE1-CA 3.37Å; H206-S223 PolarHBondContact ND1-O 2.75Å; H206-G225 PolarHBondContact CD2-O 2.57Å; H206-G225 PolarHBondContact NE2-O 2.77Å; H206-V228 HydrophobicContact CB-CG1 4.4Å; H206-T267 PolarHBondContact N-O 3.13Å; H206-R268 HydrophobicContact CB-CG 3.97Å; H206-R268 PolarHBondContact ND1-NE 2.87Å; H206-P269 WeakPolarHBondContact O-CD 3.49Å
207L98.2Very high96.1Very high0 Ų038 Ų380%018%0.182CC..SBendtrans-76.9-26.3-174.2-66175.2000112.8I183 N196 F197 Y198 R205 P209 V227 A229 Y276I183-L207 HydrophobicContact CD1-CD1 4.33Å; I183-L207 HydrophobicContact CG2-CD1 3.81Å; N196-L207 PolarHBondContact ND2-O 2.83Å; F197-L207 WeakPolarHBondContact O-CD2 3.26Å; Y198-L207 HydrophobicContact CD2-CD1 3.95Å; Y198-L207 HydrophobicContact CE2-CD1 4.19Å; Y198-L207 HydrophobicContact CG-CD1 4.26Å; R205-L207 HydrophobicContact CG-CD2 3.97Å; R205-L207 PolarHBondContact O-N 2.96Å; L207-P209 WeakPolarHBondContact O-CD 3.5Å; L207-V227 WeakPolarHBondContact CA-O 3.48Å; L207-V227 HydrophobicContact CB-CB 4.17Å; L207-V227 HydrophobicContact CB-CG1 3.99Å; L207-V227 WeakPolarHBondContact CB-O 3.43Å; L207-V227 HydrophobicContact CD1-CG1 3.87Å; L207-V227 PolarHBondContact N-O 2.86Å; L207-A229 HydrophobicContact CD1-CB 3.99Å; L207-A229 HydrophobicContact CG-CB 4.29Å; L207-Y276 VanDerWaalsContact O-CE2 3.29Å; L207-Y276 WeakPolarHBondContact O-CE2 3.47Å
208S97.9Very high96Very high4 Ų438.6 Ų38.63%0.02819%0.188CC..  trans-109.454.3-177.9610000114.3H206 A210 G225 V227H206-S208 PolarHBondContact CE1-O 3Å; H206-S208 PolarHBondContact NE2-O 3.47Å; H206-S208 PolarHBondContact NE2-OG 3.12Å; S208-A210 PolarHBondContact O-N 3.03Å; S208-G225 PolarHBondContact OG-O 2.88Å; S208-V227 PolarHBondContact N-O 2.98Å; S208-V227 PolarHBondContact OG-N 3.23Å; S208-V227 PolarHBondContact OG-O 3.44Å
209P96.5Very high95.7Very high1 Ų142.7 Ų42.71%0.00622%0.215CC..SBendtrans-66.8-19.4177.632.6-37.2000113.2H206 L207 H217 P218 R268 P269 G274H206-P209 VanDerWaalsContact CE1-CA 3.45Å; H206-P209 WeakPolarHBondContact CE1-CA 3.37Å; L207-P209 WeakPolarHBondContact O-CD 3.5Å; P209-H217 CarbonylContact O-C 3.55Å; P209-H217 VanDerWaalsContact O-C 3.25Å; P209-P218 VanDerWaalsContact O-CD 3.28Å; P209-P218 WeakPolarHBondContact O-CD 3.49Å; P209-R268 HydrophobicContact CB-CB 4.3Å; P209-R268 HydrophobicContact CB-CG 4.04Å; P209-R268 HydrophobicContact CG-CB 4.27Å; P209-R268 HydrophobicContact CG-CG 4.45Å; P209-P269 HydrophobicContact CG-CG 4.16Å; P209-G274 WeakPolarHBondContact CD-O 3.49Å
210A97.6Very high95.5Very high0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-124.890.3-174.500000110.7S208 Y216 E271 G274 R275 Y276S208-A210 PolarHBondContact O-N 3.03Å; A210-Y216 HydrophobicContact CB-CD1 4.03Å; A210-Y216 VanDerWaalsContact CB-O 3.23Å; A210-Y216 WeakPolarHBondContact CB-O 3.45Å; A210-Y216 WeakPolarHBondContact O-CD1 3.27Å; A210-E271 HydrophobicContact CB-CB 4.2Å; A210-E271 WeakPolarHBondContact CB-O 3.44Å; A210-G274 WeakPolarHBondContact CB-O 3.28Å; A210-G274 PolarHBondContact N-O 2.96Å; A210-R275 HydrophobicContact CB-CG 4.11Å; A210-R275 CarbonylContact O-C 3.48Å; A210-R275 VanDerWaalsContact O-CA 3.25Å; A210-R275 WeakPolarHBondContact O-CA 3.46Å; A210-Y276 PolarHBondContact O-N 3.18Å
211V97.5Very high95.2Very high16 Ų1648 Ų4810%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-99.2135.3174-176.20000109.6L189 D213 L214 R215 Y216 Y276 A278L189-V211 HydrophobicContact CD1-CG2 4.43Å; L189-V211 HydrophobicContact CD2-CG1 3.72Å; L189-V211 HydrophobicContact CD2-CG2 4.13Å; V211-D213 VanDerWaalsContact C-N 3.32Å; V211-D213 HydrophobicContact CG1-CB 4.25Å; V211-D213 PolarHBondContact O-N 3.26Å; V211-L214 CarbonylContact O-C 3.44Å; V211-L214 WeakPolarHBondContact O-CA 3.49Å; V211-L214 PolarHBondContact O-N 2.8Å; V211-R215 PolarHBondContact O-N 2.91Å; V211-Y216 WeakPolarHBondContact O-CA 3.43Å; V211-Y216 PolarHBondContact O-N 3.11Å; V211-Y276 WeakPolarHBondContact CA-O 3.21Å; V211-A278 HydrophobicContact CG1-CB 4.03Å
212D96.4Very high95.2Very high28 Ų2847.2 Ų47.215%0.1524%0.236CC..G310 helixtrans-57.4-40.1-177.274.1-40.7000113.8L214 R215 Y216 Y276 K277 A278D212-L214 PolarHBondContact O-N 3.13Å; D212-L214 VanDerWaalsContact O-N 3.12Å; D212-R215 WeakPolarHBondContact O-CA 3.42Å; D212-R215 PolarHBondContact O-N 3.37Å; D212-Y216 HydrophobicContact CB-CE1 3.91Å; D212-Y216 HydrophobicContact CB-CE2 3.97Å; D212-Y276 PolarHBondContact N-O 2.78Å; D212-K277 VanDerWaalsContact OD2-CD 3.23Å; D212-K277 WeakPolarHBondContact OD2-CD 3.36Å; D212-K277 WeakPolarHBondContact OD2-CE 3.43Å; D212-K277 IonicContact OD2-NZ 3.62Å; D212-K277 PolarHBondContact OD2-NZ 2.97Å; D212-A278 WeakPolarHBondContact OD1-CB 3.22Å; D212-A278 PolarHBondContact OD1-N 2.8Å
213D93.7Very high95.1Very high75 Ų7542.3 Ų42.340%0.40121%0.206SC..G310 helixtrans-57.9-23.6174.6-100.412.1000113.2V211 A278 K283V211-D213 VanDerWaalsContact C-N 3.32Å; V211-D213 HydrophobicContact CG1-CB 4.25Å; V211-D213 PolarHBondContact O-N 3.26Å; D213-A278 HydrophobicContact CB-CB 4.27Å; D213-K283 WeakPolarHBondContact OD2-CE 3.3Å; D213-K283 IonicContact OD2-NZ 3.12Å; D213-K283 PolarHBondContact OD2-NZ 3.39Å
214L92.8Very high95.1Very high82 Ų8240.3 Ų40.343%0.42920%0.197SC..G310 helixtrans-106.221.2176.5-59.1180000111.9V211 D212 Y216 H217 P219V211-L214 CarbonylContact O-C 3.44Å; V211-L214 WeakPolarHBondContact O-CA 3.49Å; V211-L214 PolarHBondContact O-N 2.8Å; D212-L214 PolarHBondContact O-N 3.13Å; D212-L214 VanDerWaalsContact O-N 3.12Å; L214-Y216 PolarHBondContact O-N 2.97Å; L214-H217 WeakPolarHBondContact CB-O 3.28Å; L214-H217 PolarHBondContact O-N 3.28Å; L214-P219 HydrophobicContact CD1-CB 4.28Å; L214-P219 HydrophobicContact CD1-CG 4.19Å
215R95.6Very high94.9Very high211 Ų21141 Ų4180%0.79620%0.204SC*.THydrogen-bonded Turntrans5537.7-176.3-57.2177.9-70.4-176.9-2.1112.3V211 D212 H217V211-R215 PolarHBondContact O-N 2.91Å; D212-R215 WeakPolarHBondContact O-CA 3.42Å; D212-R215 PolarHBondContact O-N 3.37Å; R215-H217 VanDerWaalsContact C-N 3.27Å; R215-H217 PolarHBondContact O-CE1 3.41Å; R215-H217 PolarHBondContact O-N 3.1Å; R215-H217 PolarHBondContact O-ND1 2.92Å
216Y96.6Very high94.9Very high60 Ų6041.5 Ų41.524%0.23521%0.21CC..THydrogen-bonded Turntrans60.728179.3-64.1-72.5000115.2E192 A210 V211 D212 L214 R275E192-Y216 WeakPolarHBondContact OE1-CE1 3.42Å; E192-Y216 PolarHBondContact OE1-OH 3.06Å; E192-Y216 PolarHBondContact OE2-OH 3.17Å; A210-Y216 HydrophobicContact CB-CD1 4.03Å; A210-Y216 VanDerWaalsContact CB-O 3.23Å; A210-Y216 WeakPolarHBondContact CB-O 3.45Å; A210-Y216 WeakPolarHBondContact O-CD1 3.27Å; V211-Y216 WeakPolarHBondContact O-CA 3.43Å; V211-Y216 PolarHBondContact O-N 3.11Å; D212-Y216 HydrophobicContact CB-CE1 3.91Å; D212-Y216 HydrophobicContact CB-CE2 3.97Å; L214-Y216 PolarHBondContact O-N 2.97Å; Y216-R275 HydrophobicContact CD1-CB 4.17Å; Y216-R275 HydrophobicContact CD1-CG 3.77Å; Y216-R275 HydrophobicContact CE1-CB 3.95Å; Y216-R275 HydrophobicContact CE1-CG 3.94Å
217H92.9Very high94.9Very high104 Ų10441.3 Ų41.348%0.48121%0.209SC..SBendtrans-124.4151.2173.1-64.878.7000111.2P209 L214 R215P209-H217 CarbonylContact O-C 3.55Å; P209-H217 VanDerWaalsContact O-C 3.25Å; L214-H217 WeakPolarHBondContact CB-O 3.28Å; L214-H217 PolarHBondContact O-N 3.28Å; R215-H217 VanDerWaalsContact C-N 3.27Å; R215-H217 PolarHBondContact O-CE1 3.41Å; R215-H217 PolarHBondContact O-N 3.1Å; R215-H217 PolarHBondContact O-ND1 2.92Å
218P92.1Very high94.9Very high28 Ų2841.5 Ų41.518%0.18221%0.21CC..  trans-66.8144.5171.128.1-33.6000109.7P209 F220P209-P218 VanDerWaalsContact O-CD 3.28Å; P209-P218 WeakPolarHBondContact O-CD 3.49Å; P218-F220 PolarHBondContact O-N 3.39Å
219P91.1Very high95Very high86 Ų8641.3 Ų41.356%0.55821%0.209SC*.SBendtrans-65.5-27.4-17825.7-33.3000113L214 S223L214-P219 HydrophobicContact CD1-CB 4.28Å; L214-P219 HydrophobicContact CD1-CG 4.19Å; P219-S223 WeakPolarHBondContact CD-OG 3.2Å
220F91.2Very high95.1Very high31 Ų3141.2 Ų41.214%0.13621%0.208CC..SBendtrans-162172172.561.2-83.1000110.7P218 N222 S223 D253 F428 Y429P218-F220 PolarHBondContact O-N 3.39Å; F220-N222 HydrophobicContact CD2-CB 4.09Å; F220-N222 VanDerWaalsContact CE2-C 3.42Å; F220-N222 HydrophobicContact CE2-CB 3.8Å; F220-N222 PolarHBondContact O-N 3.1Å; F220-S223 PolarHBondContact O-N 3.31Å; F220-S223 PolarHBondContact O-OG 3.04Å; F220-D253 WeakPolarHBondContact CZ-OD1 3.42Å; F220-F428 HydrophobicContact CE2-CD1 4.07Å; F220-F428 AromaticContact CE2-CE1 3.64Å; F220-F428 HydrophobicContact CE2-CE1 3.64Å; F220-F428 HydrophobicContact CE2-CZ 4.34Å; F220-F428 AromaticContact CZ-CE1 3.99Å; F220-F428 HydrophobicContact CZ-CE1 3.99Å; F220-Y429 WeakPolarHBondContact CB-O 3.43Å; F220-Y429 AromaticContact CD1-CD1 3.78Å; F220-Y429 HydrophobicContact CD1-CD1 3.78Å; F220-Y429 HydrophobicContact CD1-CE1 4.16Å; F220-Y429 AromaticContact CD2-CD1 3.95Å; F220-Y429 HydrophobicContact CD2-CD1 3.95Å; F220-Y429 AromaticContact CE1-CD1 3.68Å; F220-Y429 HydrophobicContact CE1-CD1 3.68Å; F220-Y429 AromaticContact CE1-CE1 3.6Å; F220-Y429 HydrophobicContact CE1-CE1 3.6Å; F220-Y429 AromaticContact CE2-CD1 3.84Å; F220-Y429 HydrophobicContact CE2-CD1 3.84Å; F220-Y429 HydrophobicContact CE2-CE1 4.11Å; F220-Y429 AromaticContact CG-CD1 3.93Å; F220-Y429 HydrophobicContact CG-CD1 3.93Å; F220-Y429 AromaticContact CZ-CD1 3.72Å; F220-Y429 HydrophobicContact CZ-CD1 3.72Å; F220-Y429 AromaticContact CZ-CE1 3.59Å; F220-Y429 HydrophobicContact CZ-CE1 3.59Å
221L90.2Very high95.1Very high98 Ų9842.2 Ų42.251%0.51322%0.215SC..THydrogen-bonded Turntrans-59.8-45.7-171.4-174.167.4000113.4V48 S223 R268V48-L221 HydrophobicContact CB-CD1 4.12Å; V48-L221 HydrophobicContact CG2-CD1 3.52Å; V48-L221 HydrophobicContact CG2-CG 3.92Å; V48-L221 VanDerWaalsContact CG2-O 3.32Å; V48-L221 WeakPolarHBondContact CG2-O 3.44Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.28Å; L221-R268 PolarHBondContact O-NH2 3.1Å
222N93.1Very high95.2Very high11 Ų1144.8 Ų44.86%0.05923%0.225CC..THydrogen-bonded Turntrans-87.16.7-175-67.6-58.4000114.5R47 F220 A224 S256 L266 F428R47-N222 WeakPolarHBondContact CD-OD1 3.46Å; R47-N222 PolarHBondContact NH1-OD1 3.36Å; F220-N222 HydrophobicContact CD2-CB 4.09Å; F220-N222 VanDerWaalsContact CE2-C 3.42Å; F220-N222 HydrophobicContact CE2-CB 3.8Å; F220-N222 PolarHBondContact O-N 3.1Å; N222-A224 PolarHBondContact O-N 3.44Å; N222-S256 WeakPolarHBondContact O-CB 3.45Å; N222-S256 PolarHBondContact O-OG 3.23Å; N222-L266 WeakPolarHBondContact O-CD1 3.5Å; N222-F428 HydrophobicContact CB-CD1 4.48Å; N222-F428 HydrophobicContact CB-CD2 4.07Å; N222-F428 HydrophobicContact CB-CE1 4.2Å; N222-F428 HydrophobicContact CB-CE2 3.77Å; N222-F428 HydrophobicContact CB-CG 4.41Å; N222-F428 HydrophobicContact CB-CZ 3.83Å; N222-F428 WeakPolarHBondContact CB-O 3.32Å; N222-F428 PolarHBondContact ND2-O 3.13Å
223S93.8Very high95.3Very high4 Ų451.3 Ų51.33%0.02825%0.252CS..  trans-66.9133.7-177.7690000111.8H206 P219 F220 L221 R268H206-S223 PolarHBondContact ND1-O 2.75Å; P219-S223 WeakPolarHBondContact CD-OG 3.2Å; F220-S223 PolarHBondContact O-N 3.31Å; F220-S223 PolarHBondContact O-OG 3.04Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.28Å; S223-R268 PolarHBondContact O-NH2 2.83Å; S223-R268 PolarHBondContact OG-NH2 3.3Å
224A95.8Very high95.5Very high1 Ų148.1 Ų48.11%0.00824%0.235CC..  trans-138.748.8173.600000110.4L204 N222 V228 L266L204-A224 HydrophobicContact CD2-CB 3.99Å; L204-A224 HydrophobicContact CG-CB 4.47Å; N222-A224 PolarHBondContact O-N 3.44Å; A224-V228 HydrophobicContact CB-CG1 3.97Å; A224-V228 WeakPolarHBondContact O-CG1 3.43Å; A224-L266 HydrophobicContact CB-CD2 3.94Å
225G95Very high95.8Very high13 Ų1344.2 Ų44.213%0.13422%0.215CC..  trans-89.1-175.9176.200000112.9H206 S208 V227 D252H206-G225 PolarHBondContact CD2-O 2.57Å; H206-G225 PolarHBondContact NE2-O 2.77Å; S208-G225 PolarHBondContact OG-O 2.88Å; G225-V227 PolarHBondContact O-N 2.81Å; G225-D252 WeakPolarHBondContact CA-OD2 3.39Å
226G96.9Very high95.9Very high14 Ų1438 Ų3814%0.14419%0.194CC..SBendtrans70.6-96.9174.800000113.7D186D186-G226 VanDerWaalsContact CG-O 3.25Å; D186-G226 PolarHBondContact N-O 3.44Å; D186-G226 VanDerWaalsContact N-O 3.08Å; D186-G226 WeakPolarHBondContact OD2-CA 3.49Å
227V98.7Very high95.9Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-124.3119-179.4-167.50000110.2I183 F184 H185 L189 L207 S208 G225 Y276I183-V227 HydrophobicContact CG2-CG1 3.94Å; F184-V227 VanDerWaalsContact O-CA 3.28Å; F184-V227 WeakPolarHBondContact O-CA 3.23Å; H185-V227 HydrophobicContact CB-CG1 4.13Å; H185-V227 VanDerWaalsContact CD2-CG1 3.46Å; H185-V227 WeakPolarHBondContact CD2-CG1 3.43Å; L189-V227 HydrophobicContact CB-CG2 4.19Å; L189-V227 HydrophobicContact CD1-CG2 4.01Å; L207-V227 WeakPolarHBondContact CA-O 3.48Å; L207-V227 HydrophobicContact CB-CB 4.17Å; L207-V227 HydrophobicContact CB-CG1 3.99Å; L207-V227 WeakPolarHBondContact CB-O 3.43Å; L207-V227 HydrophobicContact CD1-CG1 3.87Å; L207-V227 PolarHBondContact N-O 2.86Å; S208-V227 PolarHBondContact N-O 2.98Å; S208-V227 PolarHBondContact OG-N 3.23Å; S208-V227 PolarHBondContact OG-O 3.44Å; G225-V227 PolarHBondContact O-N 2.81Å; V227-Y276 HydrophobicContact CB-CE1 4.34Å; V227-Y276 HydrophobicContact CG2-CD1 4.22Å; V227-Y276 HydrophobicContact CG2-CE1 3.65Å
228V98.7Very high96.1Very high4 Ų434.4 Ų34.42%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-132.2150.8178.7-63.40000111.5I183 F184 L204 R205 H206 A224 F241 F255I183-V228 CarbonylContact C-O 3.6Å; I183-V228 WeakPolarHBondContact CA-O 3.22Å; F184-V228 HydrophobicContact CB-CG2 3.8Å; F184-V228 HydrophobicContact CD2-CG2 3.94Å; F184-V228 HydrophobicContact CG-CG2 4.31Å; F184-V228 PolarHBondContact N-O 3.23Å; F184-V228 PolarHBondContact O-N 3.05Å; L204-V228 HydrophobicContact CD1-CB 3.98Å; L204-V228 HydrophobicContact CD1-CG1 4.33Å; L204-V228 HydrophobicContact CD1-CG2 4.45Å; R205-V228 CarbonylContact O-C 3.22Å; R205-V228 WeakPolarHBondContact O-CA 3.23Å; H206-V228 HydrophobicContact CB-CG1 4.4Å; A224-V228 HydrophobicContact CB-CG1 3.97Å; A224-V228 WeakPolarHBondContact O-CG1 3.43Å; V228-F241 HydrophobicContact CG2-CZ 4.29Å; V228-F255 HydrophobicContact CG2-CE1 3.92Å
229A98.7Very high96.4Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-120.4139.3175.700000110.7F182 I183 R205 L207F182-A229 CarbonylContact O-C 3.51Å; F182-A229 VanDerWaalsContact O-CA 3.27Å; F182-A229 WeakPolarHBondContact O-CA 3.4Å; I183-A229 HydrophobicContact CD1-CB 3.38Å; R205-A229 HydrophobicContact CB-CB 4.18Å; R205-A229 PolarHBondContact N-O 3.29Å; R205-A229 PolarHBondContact O-N 2.8Å; L207-A229 HydrophobicContact CD1-CB 3.99Å; L207-A229 HydrophobicContact CG-CB 4.29Å
230M98.6Very high96.7Very high0 Ų029.7 Ų29.70%015%0.146CC..EExtended strand (participates in β ladder)trans-149.8137.7178.2-172.5173.4-82.400111.4F182 F184 C200 L204 N234 I235 I238 F255 L264F182-M230 PolarHBondContact N-O 2.66Å; F182-M230 PolarHBondContact O-N 2.88Å; F184-M230 HydrophobicContact CE2-CB 4.23Å; C200-M230 PolarHBondContact SG-O 3.02Å; L204-M230 HydrophobicContact CB-CE 3.67Å; L204-M230 HydrophobicContact CD1-CE 3.69Å; L204-M230 HydrophobicContact CD2-CE 4.19Å; L204-M230 HydrophobicContact CG-CE 4.03Å; M230-N234 HydrophobicContact CE-CB 4.48Å; M230-N234 HydrophobicContact CG-CB 3.44Å; M230-N234 VanDerWaalsContact CG-CB 3.44Å; M230-N234 HydrophobicContact SD-CB 3.78Å; M230-I235 HydrophobicContact CG-CB 4.35Å; M230-I235 VanDerWaalsContact SD-CA 3.6Å; M230-I235 HydrophobicContact SD-CB 4.08Å; M230-I235 HydrophobicContact SD-CD1 4.01Å; M230-I235 PolarHBondContact SD-N 2.64Å; M230-I238 HydrophobicContact CE-CD1 3.6Å; M230-I238 HydrophobicContact SD-CD1 3.6Å; M230-I238 VanDerWaalsContact SD-CD1 3.6Å; M230-I238 HydrophobicContact SD-CG1 4.15Å; M230-F255 HydrophobicContact CE-CE1 4.09Å; M230-F255 HydrophobicContact CE-CE2 4.42Å; M230-F255 HydrophobicContact CE-CZ 3.68Å; M230-F255 HydrophobicContact SD-CE2 4.27Å; M230-F255 HydrophobicContact SD-CZ 3.78Å; M230-L264 HydrophobicContact CE-CD1 4.14Å
231S98.5Very high97Very high21 Ų2128.3 Ų28.315%0.14714%0.14CC..EExtended strand (participates in β ladder)trans-64.1153.4176.269.40000112N180 K233 N234 I235N180-S231 WeakPolarHBondContact O-CA 3.38Å; S231-K233 PolarHBondContact O-N 2.69Å; S231-N234 PolarHBondContact O-N 3.48Å; S231-N234 PolarHBondContact OG-N 3.08Å; S231-I235 PolarHBondContact O-N 3.24Å
232K98.7Very high97.1Very high70 Ų7023.6 Ų23.630%0.30412%0.116SC..Hα-helixtrans-52.5-39.6172.3-179.6179-171.91720112L173 P177 I179 N180 F182 N234 I235 F236L173-K232 HydrophobicContact CD2-CD 4.08Å; P177-K232 PolarHBondContact O-NZ 2.83Å; I179-K232 WeakPolarHBondContact O-CD 3.4Å; N180-K232 PolarHBondContact O-N 2.94Å; F182-K232 HydrophobicContact CD2-CB 4.48Å; F182-K232 HydrophobicContact CE2-CB 3.77Å; F182-K232 HydrophobicContact CE2-CG 4.11Å; K232-N234 PolarHBondContact O-N 2.83Å; K232-I235 WeakPolarHBondContact O-CG2 3.44Å; K232-F236 HydrophobicContact CG-CD2 4.05Å; K232-F236 HydrophobicContact CG-CE2 4.11Å; K232-F236 VanDerWaalsContact O-CD2 3.29Å; K232-F236 WeakPolarHBondContact O-CD2 3.39Å; K232-F236 PolarHBondContact O-N 3.49Å
233K98.3Very high97.1Very high165 Ų16523.1 Ų23.172%0.71711%0.113SC*.Hα-helixtrans-59.9-48.9176.4-179.2-179.7175.6-1780111.4S231 K237S231-K233 PolarHBondContact O-N 2.69Å; K233-K237 WeakPolarHBondContact O-CB 3.24Å; K233-K237 PolarHBondContact O-N 3.46Å
234N98.4Very high96.9Very high8 Ų824.3 Ų24.34%0.04312%0.117CC..Hα-helixtrans-72.3-40.1-175.7-74.6-12.3000112.4T202 E203 M230 S231 K232 F236 K237 I238 L264T202-N234 PolarHBondContact O-ND2 3.48Å; E203-N234 PolarHBondContact O-ND2 3.28Å; M230-N234 HydrophobicContact CE-CB 4.48Å; M230-N234 HydrophobicContact CG-CB 3.44Å; M230-N234 VanDerWaalsContact CG-CB 3.44Å; M230-N234 HydrophobicContact SD-CB 3.78Å; S231-N234 PolarHBondContact O-N 3.48Å; S231-N234 PolarHBondContact OG-N 3.08Å; K232-N234 PolarHBondContact O-N 2.83Å; N234-F236 VanDerWaalsContact C-N 3.33Å; N234-F236 PolarHBondContact O-N 3.24Å; N234-K237 WeakPolarHBondContact O-CB 3.47Å; N234-K237 PolarHBondContact O-N 3.49Å; N234-K237 VanDerWaalsContact O-N 3.13Å; N234-I238 WeakPolarHBondContact O-CG1 3.44Å; N234-I238 PolarHBondContact O-N 3.29Å; N234-L264 HydrophobicContact CB-CD1 4.14Å
235I98.3Very high96.6Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-62.1-41.3-179-16867000111.8V169 F182 F184 M230 S231 K232 N239 G240 F241 F255 L305V169-I235 HydrophobicContact CG2-CG1 4.3Å; F182-I235 HydrophobicContact CD2-CG2 3.82Å; F182-I235 HydrophobicContact CE2-CG2 3.91Å; F184-I235 HydrophobicContact CE2-CD1 3.8Å; F184-I235 HydrophobicContact CE2-CG1 4.47Å; F184-I235 HydrophobicContact CZ-CD1 3.5Å; F184-I235 VanDerWaalsContact CZ-CD1 3.5Å; F184-I235 HydrophobicContact CZ-CG1 3.89Å; M230-I235 HydrophobicContact CG-CB 4.35Å; M230-I235 VanDerWaalsContact SD-CA 3.6Å; M230-I235 HydrophobicContact SD-CB 4.08Å; M230-I235 HydrophobicContact SD-CD1 4.01Å; M230-I235 PolarHBondContact SD-N 2.64Å; S231-I235 PolarHBondContact O-N 3.24Å; K232-I235 WeakPolarHBondContact O-CG2 3.44Å; I235-N239 PolarHBondContact O-N 3.04Å; I235-G240 PolarHBondContact O-N 3.11Å; I235-F241 HydrophobicContact CD1-CE2 4.43Å; I235-F255 HydrophobicContact CD1-CE2 3.58Å; I235-F255 HydrophobicContact CD1-CZ 3.97Å; I235-L305 HydrophobicContact CG1-CD1 4.02Å
236F98Very high96.5Very high81 Ų8125 Ų2536%0.35512%0.116SC..Hα-helixtrans-73-35.8174.5-79.7-89.8000112.1V169 L173 K232 N234 I238 N239 L305 I309V169-F236 HydrophobicContact CG1-CE2 4.04Å; V169-F236 HydrophobicContact CG1-CZ 4.24Å; L173-F236 HydrophobicContact CD1-CE2 3.61Å; L173-F236 HydrophobicContact CD1-CZ 3.61Å; K232-F236 HydrophobicContact CG-CD2 4.05Å; K232-F236 HydrophobicContact CG-CE2 4.11Å; K232-F236 VanDerWaalsContact O-CD2 3.29Å; K232-F236 WeakPolarHBondContact O-CD2 3.39Å; K232-F236 PolarHBondContact O-N 3.49Å; N234-F236 VanDerWaalsContact C-N 3.33Å; N234-F236 PolarHBondContact O-N 3.24Å; F236-I238 VanDerWaalsContact C-N 3.31Å; F236-I238 PolarHBondContact O-N 3.44Å; F236-N239 PolarHBondContact O-N 3.35Å; F236-L305 HydrophobicContact CD1-CD1 4.34Å; F236-L305 HydrophobicContact CE1-CD1 4.34Å; F236-L305 HydrophobicContact CZ-CD1 4.5Å; F236-I309 HydrophobicContact CE1-CD1 4.38Å
237K97.2Very high96.1Very high87 Ų8725.6 Ų25.638%0.37812%0.122SC..Hα-helixtrans-59.5-40.5176.5-178.7-177.9177-165.60111.9K233 N234 Y262K233-K237 WeakPolarHBondContact O-CB 3.24Å; K233-K237 PolarHBondContact O-N 3.46Å; N234-K237 WeakPolarHBondContact O-CB 3.47Å; N234-K237 PolarHBondContact O-N 3.49Å; N234-K237 VanDerWaalsContact O-N 3.13Å; K237-Y262 HydrophobicContact CD-CD1 4.19Å; K237-Y262 HydrophobicContact CD-CG 4.4Å; K237-Y262 HydrophobicContact CG-CD1 3.97Å; K237-Y262 HydrophobicContact CG-CE1 4.03Å; K237-Y262 HydrophobicContact CG-CG 4.25Å; K237-Y262 WeakPolarHBondContact O-CE2 3.36Å; K237-Y262 PolarHBondContact O-OH 2.65Å; K237-Y262 VanDerWaalsContact O-OH 3.12Å
238I97.3Very high95.4Very high0 Ų032.6 Ų32.60%015%0.148CC..THydrogen-bonded Turntrans-91.52.9-179.375.7171.5000113.9M230 N234 F236 F255 R258 Y262 L264 Y300M230-I238 HydrophobicContact CE-CD1 3.6Å; M230-I238 HydrophobicContact SD-CD1 3.6Å; M230-I238 VanDerWaalsContact SD-CD1 3.6Å; M230-I238 HydrophobicContact SD-CG1 4.15Å; N234-I238 WeakPolarHBondContact O-CG1 3.44Å; N234-I238 PolarHBondContact O-N 3.29Å; F236-I238 VanDerWaalsContact C-N 3.31Å; F236-I238 PolarHBondContact O-N 3.44Å; I238-F255 HydrophobicContact CD1-CD2 3.82Å; I238-F255 HydrophobicContact CD1-CE2 3.47Å; I238-F255 VanDerWaalsContact CD1-CE2 3.47Å; I238-F255 HydrophobicContact CD1-CZ 4.01Å; I238-F255 HydrophobicContact CG1-CE2 4.43Å; I238-R258 HydrophobicContact CB-CB 4.14Å; I238-R258 HydrophobicContact CD1-CB 4.44Å; I238-Y262 HydrophobicContact CB-CD2 4.21Å; I238-Y262 HydrophobicContact CB-CE2 4.27Å; I238-Y262 HydrophobicContact CG2-CD2 3.56Å; I238-Y262 HydrophobicContact CG2-CE2 4.07Å; I238-Y262 HydrophobicContact CG2-CG 4.29Å; I238-L264 HydrophobicContact CG2-CD1 4.06Å; I238-Y300 WeakPolarHBondContact O-CD2 3.43Å; I238-Y300 WeakPolarHBondContact O-CE2 3.01Å
239N97.2Very high94.7Very high15 Ų1532.8 Ų32.88%0.0815%0.151CC..THydrogen-bonded Turntrans60.338.4-175.6-163.939.2000114.8I235 F236 R258 Y300 L301 G304 L305 S306I235-N239 PolarHBondContact O-N 3.04Å; F236-N239 PolarHBondContact O-N 3.35Å; N239-R258 PolarHBondContact O-NH1 2.04Å; N239-Y300 HydrophobicContact CB-CD2 4.14Å; N239-Y300 HydrophobicContact CB-CE2 4.43Å; N239-Y300 PolarHBondContact ND2-O 2.87Å; N239-L301 PolarHBondContact ND2-O 3.1Å; N239-G304 VanDerWaalsContact O-CA 3.31Å; N239-G304 WeakPolarHBondContact O-CA 3.44Å; N239-L305 PolarHBondContact O-N 2.85Å; N239-S306 PolarHBondContact ND2-OG 3.06Å; N239-S306 VanDerWaalsContact OD1-CB 3.22Å; N239-S306 WeakPolarHBondContact OD1-CB 3.49Å; N239-S306 PolarHBondContact OD1-N 3.12Å; N239-S306 PolarHBondContact OD1-OG 3.07Å
240G97.8Very high94.3Very high0 Ų033 Ų330%015%0.152CC..SBendtrans64.2-158.5174.600000114.7D166 I235 R258D166-G240 WeakPolarHBondContact OD1-CA 3.31Å; I235-G240 PolarHBondContact O-N 3.11Å; G240-R258 PolarHBondContact O-NH1 2.88Å
241F97.3Very high94.1Very high2 Ų233.1 Ų33.11%0.00915%0.153CC..SBendtrans-82.4154.9176.2-73.2-98.6000111.3G162 F165 D166 F184 V228 I235 F255 G304G162-F241 VanDerWaalsContact CA-CB 3.41Å; F165-F241 HydrophobicContact CB-CD2 3.64Å; F165-F241 HydrophobicContact CB-CE2 3.85Å; F165-F241 HydrophobicContact CB-CG 4.23Å; F165-F241 AromaticContact CD2-CD1 3.93Å; F165-F241 HydrophobicContact CD2-CD1 3.93Å; F165-F241 AromaticContact CD2-CD2 3.96Å; F165-F241 HydrophobicContact CD2-CD2 3.96Å; F165-F241 AromaticContact CD2-CE1 3.71Å; F165-F241 HydrophobicContact CD2-CE1 3.71Å; F165-F241 AromaticContact CD2-CE2 3.75Å; F165-F241 HydrophobicContact CD2-CE2 3.75Å; F165-F241 HydrophobicContact CD2-CG 4.06Å; F165-F241 AromaticContact CD2-CZ 3.62Å; F165-F241 HydrophobicContact CD2-CZ 3.62Å; F165-F241 HydrophobicContact CE2-CE1 4.02Å; F165-F241 HydrophobicContact CE2-CZ 4.02Å; F165-F241 HydrophobicContact CG-CD2 4.21Å; F165-F241 HydrophobicContact CG-CE2 4.04Å; F165-F241 HydrophobicContact CG-CZ 4.31Å; D166-F241 PolarHBondContact OD1-N 2.98Å; D166-F241 PolarHBondContact OD2-N 3.33Å; F184-F241 HydrophobicContact CB-CE2 4.3Å; F184-F241 HydrophobicContact CB-CZ 4.05Å; F184-F241 HydrophobicContact CD1-CD2 4.47Å; F184-F241 AromaticContact CD1-CE2 3.58Å; F184-F241 HydrophobicContact CD1-CE2 3.58Å; F184-F241 HydrophobicContact CD1-CZ 4.19Å; F184-F241 AromaticContact CD2-CE2 3.76Å; F184-F241 HydrophobicContact CD2-CE2 3.76Å; F184-F241 AromaticContact CD2-CZ 3.99Å; F184-F241 HydrophobicContact CD2-CZ 3.99Å; F184-F241 HydrophobicContact CE1-CD2 4.33Å; F184-F241 AromaticContact CE1-CE2 3.68Å; F184-F241 HydrophobicContact CE1-CE2 3.68Å; F184-F241 AromaticContact CE2-CE2 3.87Å; F184-F241 HydrophobicContact CE2-CE2 3.87Å; F184-F241 HydrophobicContact CE2-CZ 4.49Å; F184-F241 AromaticContact CG-CE2 3.59Å; F184-F241 HydrophobicContact CG-CE2 3.59Å; F184-F241 AromaticContact CG-CZ 3.79Å; F184-F241 HydrophobicContact CG-CZ 3.79Å; F184-F241 AromaticContact CZ-CE2 3.83Å; F184-F241 HydrophobicContact CZ-CE2 3.83Å; V228-F241 HydrophobicContact CG2-CZ 4.29Å; I235-F241 HydrophobicContact CD1-CE2 4.43Å; F241-F255 HydrophobicContact CD1-CB 3.73Å; F241-F255 HydrophobicContact CD1-CD1 4.43Å; F241-F255 AromaticContact CD1-CD2 3.69Å; F241-F255 HydrophobicContact CD1-CD2 3.69Å; F241-F255 HydrophobicContact CD1-CE2 4.37Å; F241-F255 AromaticContact CD1-CG 3.71Å; F241-F255 HydrophobicContact CD1-CG 3.71Å; F241-F255 AromaticContact CD2-CD2 3.82Å; F241-F255 HydrophobicContact CD2-CD2 3.82Å; F241-F255 AromaticContact CD2-CE2 3.76Å; F241-F255 HydrophobicContact CD2-CE2 3.76Å; F241-F255 HydrophobicContact CD2-CZ 4.46Å; F241-F255 HydrophobicContact CE1-CB 3.74Å; F241-F255 AromaticContact CE1-CD1 3.68Å; F241-F255 HydrophobicContact CE1-CD1 3.68Å; F241-F255 AromaticContact CE1-CD2 3.68Å; F241-F255 HydrophobicContact CE1-CD2 3.68Å; F241-F255 HydrophobicContact CE1-CE1 4.14Å; F241-F255 HydrophobicContact CE1-CE2 4.12Å; F241-F255 AromaticContact CE1-CG 3.42Å; F241-F255 HydrophobicContact CE1-CG 3.42Å; F241-F255 VanDerWaalsContact CE1-CG 3.42Å; F241-F255 HydrophobicContact CE1-CZ 4.35Å; F241-F255 AromaticContact CE2-CD2 3.79Å; F241-F255 HydrophobicContact CE2-CD2 3.79Å; F241-F255 HydrophobicContact CE2-CE1 4.23Å; F241-F255 AromaticContact CE2-CE2 3.45Å; F241-F255 HydrophobicContact CE2-CE2 3.45Å; F241-F255 VanDerWaalsContact CE2-CE2 3.45Å; F241-F255 HydrophobicContact CE2-CG 4.29Å; F241-F255 AromaticContact CE2-CZ 3.72Å; F241-F255 HydrophobicContact CE2-CZ 3.72Å; F241-F255 AromaticContact CG-CD2 3.76Å; F241-F255 HydrophobicContact CG-CD2 3.76Å; F241-F255 HydrophobicContact CG-CE2 4.2Å; F241-F255 HydrophobicContact CG-CG 4.27Å; F241-F255 AromaticContact CZ-CD1 3.73Å; F241-F255 HydrophobicContact CZ-CD1 3.73Å; F241-F255 AromaticContact CZ-CD2 3.72Å; F241-F255 HydrophobicContact CZ-CD2 3.72Å; F241-F255 AromaticContact CZ-CE1 3.67Å; F241-F255 HydrophobicContact CZ-CE1 3.67Å; F241-F255 AromaticContact CZ-CE2 3.66Å; F241-F255 HydrophobicContact CZ-CE2 3.66Å; F241-F255 AromaticContact CZ-CG 3.74Å; F241-F255 HydrophobicContact CZ-CG 3.74Å; F241-F255 AromaticContact CZ-CZ 3.65Å; F241-F255 HydrophobicContact CZ-CZ 3.65Å; F241-G304 WeakPolarHBondContact O-CA 3.45Å
242P93.8Very high93.9Very high0 Ų033.5 Ų33.50%015%0.153CC..  trans-63.8135.8167.326.4-35.6000112.3H245 E251 E254P242-H245 VanDerWaalsContact CB-CD2 3.48Å; P242-H245 WeakPolarHBondContact CB-CD2 3.31Å; P242-H245 WeakPolarHBondContact CG-CD2 3.29Å; P242-E251 HydrophobicContact CG-CB 3.96Å; P242-E254 HydrophobicContact CB-CG 4.28Å; P242-E254 WeakPolarHBondContact CB-OE1 2.83Å; P242-E254 HydrophobicContact CG-CB 4.04Å; P242-E254 HydrophobicContact CG-CG 3.92Å
243T92.2Very high93.8Very high0 Ų030.9 Ų30.90%014%0.143CC..SBendtrans-96.7-7.8178.368.70000113.2N160 L163 D303 I307 L411N160-T243 PolarHBondContact ND2-O 2.79Å; L163-T243 HydrophobicContact CB-CG2 4.47Å; L163-T243 HydrophobicContact CD1-CG2 4.03Å; T243-D303 WeakPolarHBondContact CA-OD1 3.27Å; T243-D303 WeakPolarHBondContact CB-OD1 3.46Å; T243-D303 PolarHBondContact N-OD1 2.79Å; T243-D303 PolarHBondContact OG1-OD1 3.34Å; T243-I307 HydrophobicContact CG2-CG2 4.41Å; T243-L411 WeakPolarHBondContact OG1-CD1 3.32Å
244R89.9Confident93.6Very high29 Ų2923 Ų2311%0.10911%0.109CC..  trans-87.7-10.8-179.971.4-170.3157.570.4-2.7115.5W246 E254 D293 D303 Y407 L411R244-W246 PolarHBondContact O-N 2.8Å; R244-E254 IonicContact CZ-OE1 2.92Å; R244-E254 IonicContact CZ-OE2 3.95Å; R244-E254 IonicContact NH1-OE2 3.7Å; R244-E254 IonicContact NH2-OE1 3.75Å; R244-E254 PolarHBondContact NH2-OE1 3.35Å; R244-E254 IonicContact NH2-OE2 3.22Å; R244-E254 PolarHBondContact NH2-OE2 2.96Å; R244-D293 VanDerWaalsContact CZ-O 3.26Å; R244-D293 VanDerWaalsContact NH1-CB 3.32Å; R244-D293 PolarHBondContact NH1-O 3.41Å; R244-D293 PolarHBondContact NH2-O 2.88Å; R244-D303 WeakPolarHBondContact CD-OD2 3.42Å; R244-D303 WeakPolarHBondContact CG-OD2 3.21Å; R244-D303 IonicContact CZ-OD2 2.62Å; R244-D303 PolarHBondContact N-OD1 3.31Å; R244-D303 IonicContact NE-OD2 3.36Å; R244-D303 PolarHBondContact NE-OD2 2.82Å; R244-Y407 HydrophobicContact CB-CD2 4.33Å; R244-L411 HydrophobicContact CB-CD1 3.55Å
245H90.2Very high93.6Very high5 Ų522.7 Ų22.72%0.02311%0.107CC..  trans-80102.6178.1-70.9-75.2000109.9N160 P242 E251 E254N160-H245 PolarHBondContact OD1-O 3.31Å; P242-H245 VanDerWaalsContact CB-CD2 3.48Å; P242-H245 WeakPolarHBondContact CB-CD2 3.31Å; P242-H245 WeakPolarHBondContact CG-CD2 3.29Å; H245-E251 HydrophobicContact CB-CB 3.83Å; H245-E254 IonicContact CD2-OE2 2.74Å; H245-E254 IonicContact CE1-OE2 3.75Å; H245-E254 IonicContact NE2-OE2 2.65Å; H245-E254 PolarHBondContact NE2-OE2 2.93Å
246W91.1Very high93.5Very high25 Ų2522.7 Ų22.710%0.09511%0.107CC..  trans-102.6122.4178.4-66.296.2000110.1P158 N160 L163 R244 P400 L403 Y404 Y407P158-W246 HydrophobicContact CB-CB 4.15Å; P158-W246 VanDerWaalsContact O-CE3 3.31Å; N160-W246 HydrophobicContact CB-CD2 4.23Å; N160-W246 HydrophobicContact CB-CE3 3.67Å; N160-W246 HydrophobicContact CB-CH2 4.38Å; N160-W246 HydrophobicContact CB-CZ3 3.76Å; N160-W246 VanDerWaalsContact ND2-CE2 3.3Å; N160-W246 WeakPolarHBondContact ND2-CZ2 3.42Å; L163-W246 HydrophobicContact CD2-CH2 4.04Å; L163-W246 HydrophobicContact CD2-CZ2 4.47Å; R244-W246 PolarHBondContact O-N 2.8Å; W246-P400 HydrophobicContact CH2-CB 3.84Å; W246-P400 HydrophobicContact CH2-CG 4.04Å; W246-P400 HydrophobicContact CZ3-CB 4.27Å; W246-P400 HydrophobicContact CZ3-CG 3.97Å; W246-L403 HydrophobicContact CZ2-CG 4.35Å; W246-Y404 HydrophobicContact CB-CE2 4.38Å; W246-Y404 AromaticContact CD2-CD2 3.45Å; W246-Y404 HydrophobicContact CD2-CD2 3.45Å; W246-Y404 VanDerWaalsContact CD2-CD2 3.45Å; W246-Y404 AromaticContact CD2-CE2 3.93Å; W246-Y404 HydrophobicContact CD2-CE2 3.93Å; W246-Y404 AromaticContact CE2-CD2 3.59Å; W246-Y404 AromaticContact CE3-CD2 3.58Å; W246-Y404 HydrophobicContact CE3-CD2 3.58Å; W246-Y404 HydrophobicContact CE3-CE2 4.14Å; W246-Y404 HydrophobicContact CE3-CG 4.41Å; W246-Y404 AromaticContact CG-CD2 3.99Å; W246-Y404 HydrophobicContact CG-CD2 3.99Å; W246-Y404 HydrophobicContact CG-CE2 4.01Å; W246-Y404 AromaticContact CH2-CD2 3.91Å; W246-Y404 HydrophobicContact CH2-CD2 3.91Å; W246-Y404 HydrophobicContact CH2-CG 4.17Å; W246-Y404 AromaticContact CZ2-CD2 3.84Å; W246-Y404 HydrophobicContact CZ2-CD2 3.84Å; W246-Y404 HydrophobicContact CZ2-CG 4.34Å; W246-Y404 AromaticContact CZ3-CD2 3.81Å; W246-Y404 HydrophobicContact CZ3-CD2 3.81Å; W246-Y404 HydrophobicContact CZ3-CG 4.22Å; W246-Y407 AromaticContact CD1-CD2 3.91Å; W246-Y407 AromaticContact CD1-CE2 3.86Å; W246-Y407 AromaticContact NE1-CD1 3.95Å; W246-Y407 AromaticContact NE1-CD2 3.6Å; W246-Y407 AromaticContact NE1-CG 3.53Å
247G90.3Very high93.4Very high26 Ų2618.8 Ų18.827%0.2689%0.09SC..SBendtrans96.3-158-172.400000112F159F159-G247 WeakPolarHBondContact O-CA 3.11Å; F159-G247 PolarHBondContact O-N 3.16Å
248W83.2Confident93.4Very high146 Ų14614.7 Ų14.755%0.5537%0.072SC*.BIsolated β-bridgetrans-94.4127.1-175.8-163.778.9000111.5I286 S287W248-I286 HydrophobicContact CE3-CB 4.13Å; W248-I286 HydrophobicContact CE3-CD1 4.34Å; W248-I286 HydrophobicContact CE3-CG1 3.67Å; W248-I286 HydrophobicContact CE3-CG2 4.13Å; W248-I286 HydrophobicContact CZ3-CB 4.47Å; W248-I286 HydrophobicContact CZ3-CD1 3.8Å; W248-I286 HydrophobicContact CZ3-CG1 3.61Å; W248-I286 HydrophobicContact CZ3-CG2 4.46Å; W248-S287 PolarHBondContact O-N 3.49Å; W248-S287 VanDerWaalsContact O-N 3.11Å
249G84.4Confident93.3Very high9 Ų914.7 Ų14.79%0.0937%0.072CC..SBendtrans122.1148.9160.700000115.4E251G249-E251 PolarHBondContact N-OE2 3.41Å; G249-E251 PolarHBondContact O-N 3.12Å; G249-E251 VanDerWaalsContact O-N 3.14Å
250S89.6Confident93.2Very high3 Ų316.7 Ų16.72%0.0218%0.082CC..SBendtrans68-6.9169.7-60.30000117.9D253 E254 H290S250-D253 PolarHBondContact O-N 2.86Å; S250-E254 WeakPolarHBondContact O-CB 3.21Å; S250-E254 PolarHBondContact O-N 3.18Å; S250-H290 PolarHBondContact OG-CD2 3.45Å
251E94Very high92.9Very high4 Ų419.8 Ų19.82%0.01910%0.098CC..Hα-helixtrans-68-37.5176.273.2-6112200113.1R161 P242 H245 G249 F255R161-E251 IonicContact CZ-OE1 2.69Å; R161-E251 IonicContact NH1-OE1 3.01Å; R161-E251 PolarHBondContact NH1-OE1 2.87Å; R161-E251 IonicContact NH1-OE2 3.48Å; R161-E251 PolarHBondContact NH1-OE2 3.49Å; R161-E251 IonicContact NH2-OE1 3Å; R161-E251 PolarHBondContact NH2-OE1 3.49Å; P242-E251 HydrophobicContact CG-CB 3.96Å; H245-E251 HydrophobicContact CB-CB 3.83Å; G249-E251 PolarHBondContact N-OE2 3.41Å; G249-E251 PolarHBondContact O-N 3.12Å; G249-E251 VanDerWaalsContact O-N 3.14Å; E251-F255 WeakPolarHBondContact O-CB 3.34Å; E251-F255 PolarHBondContact O-N 2.93Å
252D95.7Very high92.8Very high29 Ų2922.7 Ų22.716%0.15511%0.11CC..Hα-helixtrans-72.3-37.917353.7-9.7000112.8R161 G225 E254 F255 S256R161-D252 IonicContact NH2-OD2 2.68Å; G225-D252 WeakPolarHBondContact CA-OD2 3.39Å; D252-E254 VanDerWaalsContact C-N 3.35Å; D252-F255 WeakPolarHBondContact O-CB 3.38Å; D252-F255 PolarHBondContact O-N 3.21Å; D252-S256 WeakPolarHBondContact O-CB 3.43Å; D252-S256 PolarHBondContact O-N 3.24Å
253D95.2Very high92.9Very high15 Ų1529.6 Ų29.68%0.0815%0.146CC..Hα-helixtrans-60.9-45.9173.9-63.3-22000110.7F220 S250 S256 A257 F294 F428 Y429F220-D253 WeakPolarHBondContact CZ-OD1 3.42Å; S250-D253 PolarHBondContact O-N 2.86Å; D253-S256 WeakPolarHBondContact O-CB 3.2Å; D253-S256 PolarHBondContact O-N 3.36Å; D253-A257 WeakPolarHBondContact O-CB 3.39Å; D253-A257 PolarHBondContact O-N 3.37Å; D253-F294 HydrophobicContact CB-CD1 4.33Å; D253-F294 HydrophobicContact CB-CE1 3.99Å; D253-F294 HydrophobicContact CB-CE2 4.48Å; D253-F294 HydrophobicContact CB-CZ 4.07Å; D253-F428 HydrophobicContact CB-CE1 4Å; D253-F428 HydrophobicContact CB-CZ 4.44Å; D253-F428 WeakPolarHBondContact O-CZ 3.43Å; D253-Y429 PolarHBondContact OD2-OH 3.03Å
254E95Very high93.1Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-65.8-41.9174.5174.3165.5167.500112.5P242 R244 H245 S250 D252 S256 A257 R258 F294 F297P242-E254 HydrophobicContact CB-CG 4.28Å; P242-E254 WeakPolarHBondContact CB-OE1 2.83Å; P242-E254 HydrophobicContact CG-CB 4.04Å; P242-E254 HydrophobicContact CG-CG 3.92Å; R244-E254 IonicContact CZ-OE1 2.92Å; R244-E254 IonicContact CZ-OE2 3.95Å; R244-E254 IonicContact NH1-OE2 3.7Å; R244-E254 IonicContact NH2-OE1 3.75Å; R244-E254 PolarHBondContact NH2-OE1 3.35Å; R244-E254 IonicContact NH2-OE2 3.22Å; R244-E254 PolarHBondContact NH2-OE2 2.96Å; H245-E254 IonicContact CD2-OE2 2.74Å; H245-E254 IonicContact CE1-OE2 3.75Å; H245-E254 IonicContact NE2-OE2 2.65Å; H245-E254 PolarHBondContact NE2-OE2 2.93Å; S250-E254 WeakPolarHBondContact O-CB 3.21Å; S250-E254 PolarHBondContact O-N 3.18Å; D252-E254 VanDerWaalsContact C-N 3.35Å; E254-S256 VanDerWaalsContact C-N 3.29Å; E254-S256 PolarHBondContact O-N 3Å; E254-A257 CarbonylContact O-C 3.47Å; E254-A257 WeakPolarHBondContact O-CB 3.48Å; E254-A257 PolarHBondContact O-N 2.68Å; E254-A257 VanDerWaalsContact O-N 3.1Å; E254-R258 HydrophobicContact CG-CG 4.4Å; E254-R258 WeakPolarHBondContact O-CG 3.43Å; E254-R258 PolarHBondContact O-N 2.81Å; E254-R258 IonicContact OE1-CZ 2.67Å; E254-R258 IonicContact OE1-NE 3.95Å; E254-R258 PolarHBondContact OE1-NE 3.01Å; E254-R258 IonicContact OE1-NH2 2.95Å; E254-R258 PolarHBondContact OE1-NH2 2.9Å; E254-F294 HydrophobicContact CB-CD2 3.84Å; E254-F294 HydrophobicContact CB-CE2 4.05Å; E254-F297 HydrophobicContact CG-CB 3.64Å; E254-F297 HydrophobicContact CG-CD2 4.22Å; E254-F297 HydrophobicContact CG-CG 4.22Å; E254-F297 WeakPolarHBondContact OE1-CB 3.28Å
255F97.3Very high93.4Very high0 Ų032.7 Ų32.70%016%0.161CC..Hα-helixtrans-56.7-45.3174.3179.5-107.1000111.6F184 L204 V228 M230 I235 I238 F241 E251 D252 R258 G259F184-F255 HydrophobicContact CD2-CZ 4.49Å; F184-F255 HydrophobicContact CE2-CZ 4.29Å; L204-F255 HydrophobicContact CD1-CD1 4.36Å; L204-F255 HydrophobicContact CD1-CE1 3.55Å; L204-F255 HydrophobicContact CD1-CZ 4.33Å; L204-F255 HydrophobicContact CD2-CD1 4.18Å; L204-F255 HydrophobicContact CD2-CE1 4.07Å; L204-F255 HydrophobicContact CG-CE1 4.49Å; V228-F255 HydrophobicContact CG2-CE1 3.92Å; M230-F255 HydrophobicContact CE-CE1 4.09Å; M230-F255 HydrophobicContact CE-CE2 4.42Å; M230-F255 HydrophobicContact CE-CZ 3.68Å; M230-F255 HydrophobicContact SD-CE2 4.27Å; M230-F255 HydrophobicContact SD-CZ 3.78Å; I235-F255 HydrophobicContact CD1-CE2 3.58Å; I235-F255 HydrophobicContact CD1-CZ 3.97Å; I238-F255 HydrophobicContact CD1-CD2 3.82Å; I238-F255 HydrophobicContact CD1-CE2 3.47Å; I238-F255 VanDerWaalsContact CD1-CE2 3.47Å; I238-F255 HydrophobicContact CD1-CZ 4.01Å; I238-F255 HydrophobicContact CG1-CE2 4.43Å; F241-F255 HydrophobicContact CD1-CB 3.73Å; F241-F255 HydrophobicContact CD1-CD1 4.43Å; F241-F255 AromaticContact CD1-CD2 3.69Å; F241-F255 HydrophobicContact CD1-CD2 3.69Å; F241-F255 HydrophobicContact CD1-CE2 4.37Å; F241-F255 AromaticContact CD1-CG 3.71Å; F241-F255 HydrophobicContact CD1-CG 3.71Å; F241-F255 AromaticContact CD2-CD2 3.82Å; F241-F255 HydrophobicContact CD2-CD2 3.82Å; F241-F255 AromaticContact CD2-CE2 3.76Å; F241-F255 HydrophobicContact CD2-CE2 3.76Å; F241-F255 HydrophobicContact CD2-CZ 4.46Å; F241-F255 HydrophobicContact CE1-CB 3.74Å; F241-F255 AromaticContact CE1-CD1 3.68Å; F241-F255 HydrophobicContact CE1-CD1 3.68Å; F241-F255 AromaticContact CE1-CD2 3.68Å; F241-F255 HydrophobicContact CE1-CD2 3.68Å; F241-F255 HydrophobicContact CE1-CE1 4.14Å; F241-F255 HydrophobicContact CE1-CE2 4.12Å; F241-F255 AromaticContact CE1-CG 3.42Å; F241-F255 HydrophobicContact CE1-CG 3.42Å; F241-F255 VanDerWaalsContact CE1-CG 3.42Å; F241-F255 HydrophobicContact CE1-CZ 4.35Å; F241-F255 AromaticContact CE2-CD2 3.79Å; F241-F255 HydrophobicContact CE2-CD2 3.79Å; F241-F255 HydrophobicContact CE2-CE1 4.23Å; F241-F255 AromaticContact CE2-CE2 3.45Å; F241-F255 HydrophobicContact CE2-CE2 3.45Å; F241-F255 VanDerWaalsContact CE2-CE2 3.45Å; F241-F255 HydrophobicContact CE2-CG 4.29Å; F241-F255 AromaticContact CE2-CZ 3.72Å; F241-F255 HydrophobicContact CE2-CZ 3.72Å; F241-F255 AromaticContact CG-CD2 3.76Å; F241-F255 HydrophobicContact CG-CD2 3.76Å; F241-F255 HydrophobicContact CG-CE2 4.2Å; F241-F255 HydrophobicContact CG-CG 4.27Å; F241-F255 AromaticContact CZ-CD1 3.73Å; F241-F255 HydrophobicContact CZ-CD1 3.73Å; F241-F255 AromaticContact CZ-CD2 3.72Å; F241-F255 HydrophobicContact CZ-CD2 3.72Å; F241-F255 AromaticContact CZ-CE1 3.67Å; F241-F255 HydrophobicContact CZ-CE1 3.67Å; F241-F255 AromaticContact CZ-CE2 3.66Å; F241-F255 HydrophobicContact CZ-CE2 3.66Å; F241-F255 AromaticContact CZ-CG 3.74Å; F241-F255 HydrophobicContact CZ-CG 3.74Å; F241-F255 AromaticContact CZ-CZ 3.65Å; F241-F255 HydrophobicContact CZ-CZ 3.65Å; E251-F255 WeakPolarHBondContact O-CB 3.34Å; E251-F255 PolarHBondContact O-N 2.93Å; D252-F255 WeakPolarHBondContact O-CB 3.38Å; D252-F255 PolarHBondContact O-N 3.21Å; F255-R258 PolarHBondContact O-N 2.91Å; F255-G259 PolarHBondContact O-N 3Å; F255-G259 VanDerWaalsContact O-N 3.16Å
256S97.1Very high93.7Very high0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-61.5-45.4171.9178.80000111.6R47 N222 D252 D253 E254 R258 G259 L260R47-S256 PolarHBondContact NH2-O 3.49Å; R47-S256 PolarHBondContact NH2-OG 3.03Å; N222-S256 WeakPolarHBondContact O-CB 3.45Å; N222-S256 PolarHBondContact O-OG 3.23Å; D252-S256 WeakPolarHBondContact O-CB 3.43Å; D252-S256 PolarHBondContact O-N 3.24Å; D253-S256 WeakPolarHBondContact O-CB 3.2Å; D253-S256 PolarHBondContact O-N 3.36Å; E254-S256 VanDerWaalsContact C-N 3.29Å; E254-S256 PolarHBondContact O-N 3Å; S256-R258 VanDerWaalsContact C-N 3.35Å; S256-R258 PolarHBondContact O-N 3.02Å; S256-G259 WeakPolarHBondContact O-CA 3.29Å; S256-G259 PolarHBondContact O-N 3.19Å; S256-G259 VanDerWaalsContact O-N 3.11Å; S256-L260 PolarHBondContact O-N 2.85Å
257A95.7Very high93.9Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-61.8-39.317900000112.8D253 E254 G259 L260 L261 F294 F297 W424 F428D253-A257 WeakPolarHBondContact O-CB 3.39Å; D253-A257 PolarHBondContact O-N 3.37Å; E254-A257 CarbonylContact O-C 3.47Å; E254-A257 WeakPolarHBondContact O-CB 3.48Å; E254-A257 PolarHBondContact O-N 2.68Å; E254-A257 VanDerWaalsContact O-N 3.1Å; A257-G259 VanDerWaalsContact C-N 3.32Å; A257-G259 PolarHBondContact O-N 2.8Å; A257-L260 VanDerWaalsContact O-CB 3.26Å; A257-L260 WeakPolarHBondContact O-CB 3.39Å; A257-L260 PolarHBondContact O-N 2.78Å; A257-L260 VanDerWaalsContact O-N 3.12Å; A257-L261 PolarHBondContact O-N 3.13Å; A257-L261 VanDerWaalsContact O-N 3.16Å; A257-F294 HydrophobicContact CB-CE2 3.7Å; A257-F294 HydrophobicContact CB-CZ 3.98Å; A257-F297 HydrophobicContact CB-CD2 4.22Å; A257-F297 HydrophobicContact CB-CE1 4.1Å; A257-F297 HydrophobicContact CB-CE2 3.72Å; A257-F297 HydrophobicContact CB-CZ 3.66Å; A257-W424 HydrophobicContact CB-CH2 3.74Å; A257-W424 HydrophobicContact CB-CZ2 3.98Å; A257-F428 HydrophobicContact CB-CD2 4.36Å; A257-F428 HydrophobicContact CB-CE2 3.76Å; A257-F428 HydrophobicContact CB-CZ 4.21Å
258R96.2Very high94.3Very high0 Ų030.4 Ų30.40%015%0.145CC..Hα-helixtrans-60.1-43.5172.1-66.1171-171.1-151.1-6.6110.8I238 N239 G240 E254 F255 S256 L260 L261 Y262 F297 Y300 D303I238-R258 HydrophobicContact CB-CB 4.14Å; I238-R258 HydrophobicContact CD1-CB 4.44Å; N239-R258 PolarHBondContact O-NH1 2.04Å; G240-R258 PolarHBondContact O-NH1 2.88Å; E254-R258 HydrophobicContact CG-CG 4.4Å; E254-R258 WeakPolarHBondContact O-CG 3.43Å; E254-R258 PolarHBondContact O-N 2.81Å; E254-R258 IonicContact OE1-CZ 2.67Å; E254-R258 IonicContact OE1-NE 3.95Å; E254-R258 PolarHBondContact OE1-NE 3.01Å; E254-R258 IonicContact OE1-NH2 2.95Å; E254-R258 PolarHBondContact OE1-NH2 2.9Å; F255-R258 PolarHBondContact O-N 2.91Å; S256-R258 VanDerWaalsContact C-N 3.35Å; S256-R258 PolarHBondContact O-N 3.02Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.29Å; R258-L261 WeakPolarHBondContact O-CB 3.47Å; R258-L261 PolarHBondContact O-N 2.93Å; R258-Y262 VanDerWaalsContact O-CD2 3.31Å; R258-Y262 WeakPolarHBondContact O-CD2 3.48Å; R258-F297 HydrophobicContact CG-CD2 4.18Å; R258-F297 HydrophobicContact CG-CE2 4.44Å; R258-Y300 HydrophobicContact CG-CD1 4.48Å; R258-Y300 HydrophobicContact CG-CD2 4Å; R258-Y300 HydrophobicContact CG-CG 3.94Å; R258-Y300 VanDerWaalsContact NE-CB 3.32Å; R258-Y300 VanDerWaalsContact NH2-CB 3.31Å; R258-D303 VanDerWaalsContact CZ-O 3.28Å; R258-D303 PolarHBondContact NH1-O 2.8Å; R258-D303 PolarHBondContact NH2-O 2.78Å; R258-D303 IonicContact NH2-OD2 3.04Å
259G96.6Very high94.9Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-56-41.2172.800000113.1F255 S256 A257 L261 Y262 N263 L264F255-G259 PolarHBondContact O-N 3Å; F255-G259 VanDerWaalsContact O-N 3.16Å; S256-G259 WeakPolarHBondContact O-CA 3.29Å; S256-G259 PolarHBondContact O-N 3.19Å; S256-G259 VanDerWaalsContact O-N 3.11Å; A257-G259 VanDerWaalsContact C-N 3.32Å; A257-G259 PolarHBondContact O-N 2.8Å; G259-L261 VanDerWaalsContact C-N 3.35Å; G259-L261 PolarHBondContact O-N 2.96Å; G259-Y262 CarbonylContact O-C 3.52Å; G259-Y262 PolarHBondContact O-N 3.25Å; G259-Y262 VanDerWaalsContact O-N 3.13Å; G259-N263 PolarHBondContact O-N 3.38Å; G259-L264 WeakPolarHBondContact O-CB 3.46Å; G259-L264 PolarHBondContact O-N 3.3Å
260L93.6Very high95.4Very high57 Ų5723.6 Ų23.630%0.29812%0.118SC..Hα-helixtrans-60.2-42176.8-172.758.5000112.4R47 S256 A257 R258 Y262 N263R47-L260 HydrophobicContact CG-CD1 4.35Å; S256-L260 PolarHBondContact O-N 2.85Å; A257-L260 VanDerWaalsContact O-CB 3.26Å; A257-L260 WeakPolarHBondContact O-CB 3.39Å; A257-L260 PolarHBondContact O-N 2.78Å; A257-L260 VanDerWaalsContact O-N 3.12Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.29Å; L260-Y262 PolarHBondContact O-N 3.13Å; L260-Y262 VanDerWaalsContact O-N 3.13Å; L260-N263 PolarHBondContact O-N 2.77Å
261L93.3Very high95.5Very high65 Ų6526.3 Ų26.334%0.3413%0.13SC..Hα-helixtrans-58.9-26178.6-64.3-177.8000112.6A257 R258 G259 F297 Y300A257-L261 PolarHBondContact O-N 3.13Å; A257-L261 VanDerWaalsContact O-N 3.16Å; R258-L261 WeakPolarHBondContact O-CB 3.47Å; R258-L261 PolarHBondContact O-N 2.93Å; G259-L261 VanDerWaalsContact C-N 3.35Å; G259-L261 PolarHBondContact O-N 2.96Å; L261-F297 HydrophobicContact CD1-CE2 3.6Å; L261-F297 HydrophobicContact CD1-CZ 4.12Å; L261-F297 HydrophobicContact CD2-CZ 4.38Å; L261-F297 HydrophobicContact CG-CE2 4.08Å; L261-F297 HydrophobicContact CG-CZ 4.28Å; L261-Y300 HydrophobicContact CD1-CD1 4.24Å; L261-Y300 HydrophobicContact CD1-CE1 3.67Å
262Y94.9Very high95.5Very high64 Ų6431.9 Ų31.925%0.25116%0.155SC..THydrogen-bonded Turntrans-101.717.2178.8-70.3-74.9000113.8K237 I238 R258 G259 L260 L264 Y300K237-Y262 HydrophobicContact CD-CD1 4.19Å; K237-Y262 HydrophobicContact CD-CG 4.4Å; K237-Y262 HydrophobicContact CG-CD1 3.97Å; K237-Y262 HydrophobicContact CG-CE1 4.03Å; K237-Y262 HydrophobicContact CG-CG 4.25Å; K237-Y262 WeakPolarHBondContact O-CE2 3.36Å; K237-Y262 PolarHBondContact O-OH 2.65Å; K237-Y262 VanDerWaalsContact O-OH 3.12Å; I238-Y262 HydrophobicContact CB-CD2 4.21Å; I238-Y262 HydrophobicContact CB-CE2 4.27Å; I238-Y262 HydrophobicContact CG2-CD2 3.56Å; I238-Y262 HydrophobicContact CG2-CE2 4.07Å; I238-Y262 HydrophobicContact CG2-CG 4.29Å; R258-Y262 VanDerWaalsContact O-CD2 3.31Å; R258-Y262 WeakPolarHBondContact O-CD2 3.48Å; G259-Y262 CarbonylContact O-C 3.52Å; G259-Y262 PolarHBondContact O-N 3.25Å; G259-Y262 VanDerWaalsContact O-N 3.13Å; L260-Y262 PolarHBondContact O-N 3.13Å; L260-Y262 VanDerWaalsContact O-N 3.13Å; Y262-L264 PolarHBondContact O-N 2.97Å; Y262-Y300 AromaticContact CE2-CE2 3.93Å; Y262-Y300 HydrophobicContact CE2-CE2 3.93Å; Y262-Y300 AromaticContact CE2-CZ 3.8Å; Y262-Y300 WeakPolarHBondContact CE2-OH 3.45Å; Y262-Y300 PolarHBondContact OH-OH 3.46Å
263N94.5Very high95.5Very high144 Ų14431 Ų3177%0.7715%0.15SC*.THydrogen-bonded Turntrans56.826.5-178.6-59.4-49000113.7G259 L260G259-N263 PolarHBondContact O-N 3.38Å; L260-N263 PolarHBondContact O-N 2.77Å
264L96.6Very high95.6Very high10 Ų1030.3 Ų30.35%0.05215%0.146CC..  trans-74.7130.5173.1-56.7-177.9000109.4E203 M230 N234 I238 G259 Y262E203-L264 WeakPolarHBondContact OE2-CA 3.29Å; M230-L264 HydrophobicContact CE-CD1 4.14Å; N234-L264 HydrophobicContact CB-CD1 4.14Å; I238-L264 HydrophobicContact CG2-CD1 4.06Å; G259-L264 WeakPolarHBondContact O-CB 3.46Å; G259-L264 PolarHBondContact O-N 3.3Å; Y262-L264 PolarHBondContact O-N 2.97Å
265K96.1Very high95.7Very high84 Ų8434.5 Ų34.537%0.36516%0.162SC..  trans-75.6162.2170.9-64.5-174.3-177.51790110.3R47 V49 E203 L204R47-K265 WeakPolarHBondContact O-CA 3.43Å; R47-K265 WeakPolarHBondContact O-CB 3.27Å; V49-K265 HydrophobicContact CG2-CD 3.73Å; E203-K265 HydrophobicContact CB-CB 4.47Å; E203-K265 HydrophobicContact CG-CB 4.16Å; E203-K265 PolarHBondContact OE2-N 3.25Å; L204-K265 PolarHBondContact N-O 3.4Å; L204-K265 VanDerWaalsContact N-O 3.13Å
266L96.4Very high95.7Very high0 Ų034.5 Ų34.50%016%0.162CC..EExtended strand (participates in β ladder)trans-97.6105.6166.4-70.4179.6000108.3R47 V48 V49 L204 N222 A224R47-L266 PolarHBondContact O-N 3.39Å; V48-L266 CarbonylContact C-O 3.59Å; V48-L266 VanDerWaalsContact CA-O 3.26Å; V48-L266 WeakPolarHBondContact CA-O 3.36Å; V48-L266 HydrophobicContact CG2-CB 4.16Å; V48-L266 HydrophobicContact CG2-CD1 4.42Å; V49-L266 PolarHBondContact N-O 3.43Å; L204-L266 HydrophobicContact CB-CD2 4.06Å; L204-L266 HydrophobicContact CD2-CD2 3.5Å; L204-L266 HydrophobicContact CG-CD2 3.56Å; L204-L266 WeakPolarHBondContact O-CA 3.5Å; N222-L266 WeakPolarHBondContact O-CD1 3.5Å; A224-L266 HydrophobicContact CB-CD2 3.94Å
267T96.9Very high95.7Very high6 Ų637.8 Ų37.84%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-88137.6173.254.40000109.6V49 T51 D201 E203 L204 R205 H206V49-T267 HydrophobicContact CB-CG2 4.48Å; V49-T267 CarbonylContact O-C 3.6Å; V49-T267 VanDerWaalsContact O-CA 3.23Å; V49-T267 WeakPolarHBondContact O-CA 3.46Å; T51-T267 HydrophobicContact CG2-CG2 3.87Å; D201-T267 VanDerWaalsContact OD2-CB 3.24Å; D201-T267 WeakPolarHBondContact OD2-CB 3.46Å; D201-T267 WeakPolarHBondContact OD2-CG2 3.22Å; D201-T267 PolarHBondContact OD2-OG1 3.21Å; E203-T267 HydrophobicContact CB-CG2 3.85Å; E203-T267 HydrophobicContact CG-CG2 3.9Å; L204-T267 PolarHBondContact O-N 3.42Å; R205-T267 CarbonylContact C-O 3.59Å; R205-T267 WeakPolarHBondContact CA-O 3.32Å; R205-T267 WeakPolarHBondContact CA-OG1 3.03Å; R205-T267 VanDerWaalsContact CB-OG1 3.23Å; R205-T267 WeakPolarHBondContact CB-OG1 3.29Å; R205-T267 WeakPolarHBondContact CG-OG1 3.31Å; H206-T267 PolarHBondContact N-O 3.13Å
268R96.9Very high95.8Very high3 Ų338.1 Ų38.11%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-132.9136.5-178.8-73.8174-179.2171.4-1.1109.9V48 V49 Y50 T51 H206 P209 L221 S223V48-R268 HydrophobicContact CG1-CG 4.4Å; V49-R268 PolarHBondContact O-N 2.92Å; Y50-R268 CarbonylContact C-O 3.25Å; Y50-R268 WeakPolarHBondContact CA-O 3.34Å; Y50-R268 HydrophobicContact CD1-CB 4.07Å; Y50-R268 HydrophobicContact CE1-CB 4.22Å; T51-R268 PolarHBondContact N-O 3.46Å; H206-R268 HydrophobicContact CB-CG 3.97Å; H206-R268 PolarHBondContact ND1-NE 2.87Å; P209-R268 HydrophobicContact CB-CB 4.3Å; P209-R268 HydrophobicContact CB-CG 4.04Å; P209-R268 HydrophobicContact CG-CB 4.27Å; P209-R268 HydrophobicContact CG-CG 4.45Å; L221-R268 PolarHBondContact O-NH2 3.1Å; S223-R268 PolarHBondContact O-NH2 2.83Å; S223-R268 PolarHBondContact OG-NH2 3.3Å
269P96.1Very high95.7Very high1 Ų138.2 Ų38.21%0.00618%0.179CC..  trans-60.9153.5160.330.4-33.6000109.4H206 P209 I273H206-P269 WeakPolarHBondContact O-CD 3.49Å; P209-P269 HydrophobicContact CG-CG 4.16Å; P269-I273 HydrophobicContact CB-CB 4.23Å; P269-I273 HydrophobicContact CB-CG2 3.96Å
270P95.2Very high95.3Very high11 Ų1149.2 Ų49.27%0.07122%0.221CC..  trans-51.1147.8169.9-24.931.7000111.9H52 F272 I273 G274H52-P270 VanDerWaalsContact CE1-CG 3.42Å; H52-P270 WeakPolarHBondContact CE1-CG 3.46Å; H52-P270 WeakPolarHBondContact NE2-CG 3.26Å; P270-F272 HydrophobicContact CB-CD1 3.66Å; P270-F272 HydrophobicContact CB-CE1 3.28Å; P270-F272 HydrophobicContact CB-CG 4.45Å; P270-F272 HydrophobicContact CB-CZ 3.8Å; P270-F272 HydrophobicContact CG-CE1 4.07Å; P270-F272 HydrophobicContact CG-CZ 4.18Å; P270-F272 PolarHBondContact O-N 3.1Å; P270-I273 HydrophobicContact CG-CD1 4.21Å; P270-I273 CarbonylContact O-C 3.45Å; P270-I273 WeakPolarHBondContact O-CA 3.44Å; P270-I273 PolarHBondContact O-N 2.93Å; P270-G274 PolarHBondContact O-N 3.17Å
271E93Very high94.9Very high60 Ų6049.1 Ų49.128%0.2822%0.219SC..THydrogen-bonded Turntrans-62.7-18.2-174.2-67.5176175.600114.4A210 R275A210-E271 HydrophobicContact CB-CB 4.2Å; A210-E271 WeakPolarHBondContact CB-O 3.44Å; E271-R275 WeakPolarHBondContact O-CG 3.49Å; E271-R275 PolarHBondContact O-NE 3.2Å
272F94.1Very high94.4Very high120 Ų12054.6 Ų54.653%0.52624%0.24SC..THydrogen-bonded Turntrans-84.2-11.217366-92000113.6P270P270-F272 HydrophobicContact CB-CD1 3.66Å; P270-F272 HydrophobicContact CB-CE1 3.28Å; P270-F272 HydrophobicContact CB-CG 4.45Å; P270-F272 HydrophobicContact CB-CZ 3.8Å; P270-F272 HydrophobicContact CG-CE1 4.07Å; P270-F272 HydrophobicContact CG-CZ 4.18Å; P270-F272 PolarHBondContact O-N 3.1Å
273I95.1Very high93.6Very high12 Ų1257.8 Ų57.86%0.06226%0.255CS..THydrogen-bonded Turntrans-104.8-45.9174.1-65.5174.5000110.4P53 K193 E195 N196 P269 P270 R275P53-I273 HydrophobicContact CG-CD1 3.91Å; K193-I273 WeakPolarHBondContact CB-O 3.07Å; E195-I273 HydrophobicContact CB-CD1 4.47Å; E195-I273 HydrophobicContact CB-CG1 4.43Å; E195-I273 HydrophobicContact CB-CG2 3.92Å; N196-I273 HydrophobicContact CB-CG2 3.96Å; P269-I273 HydrophobicContact CB-CB 4.23Å; P269-I273 HydrophobicContact CB-CG2 3.96Å; P270-I273 HydrophobicContact CG-CD1 4.21Å; P270-I273 CarbonylContact O-C 3.45Å; P270-I273 WeakPolarHBondContact O-CA 3.44Å; P270-I273 PolarHBondContact O-N 2.93Å; I273-R275 PolarHBondContact O-N 3.33Å
274G96.6Very high92.7Very high0 Ų057.7 Ų57.70%025%0.245CC..SBendtrans-71.931.5-178.200000115.6P209 A210 P270P209-G274 WeakPolarHBondContact CD-O 3.49Å; A210-G274 WeakPolarHBondContact CB-O 3.28Å; A210-G274 PolarHBondContact N-O 2.96Å; P270-G274 PolarHBondContact O-N 3.17Å
275R97.4Very high91.6Very high87 Ų8762.2 Ų62.233%0.32828%0.277SS..EExtended strand (participates in β ladder)trans-87.3134.8-172.7-68.9-164.5173.1-176.6-1.2113.1E192 A210 Y216 E271 I273E192-R275 HydrophobicContact CB-CB 3.93Å; E192-R275 HydrophobicContact CG-CB 4.21Å; E192-R275 PolarHBondContact N-O 3.02Å; A210-R275 HydrophobicContact CB-CG 4.11Å; A210-R275 CarbonylContact O-C 3.48Å; A210-R275 VanDerWaalsContact O-CA 3.25Å; A210-R275 WeakPolarHBondContact O-CA 3.46Å; Y216-R275 HydrophobicContact CD1-CB 4.17Å; Y216-R275 HydrophobicContact CD1-CG 3.77Å; Y216-R275 HydrophobicContact CE1-CB 3.95Å; Y216-R275 HydrophobicContact CE1-CG 3.94Å; E271-R275 WeakPolarHBondContact O-CG 3.49Å; E271-R275 PolarHBondContact O-NE 3.2Å; I273-R275 PolarHBondContact O-N 3.33Å
276Y98.1Very high90.5Very high0 Ų062.3 Ų62.30%028%0.281CS..EExtended strand (participates in β ladder)trans-132.4141.2174.5-72.3-104.8000111.4L189 L190 P191 N196 Y198 L207 A210 V211 D212 V227L189-Y276 HydrophobicContact CB-CD1 3.71Å; L189-Y276 HydrophobicContact CB-CE1 4.48Å; L189-Y276 HydrophobicContact CB-CG 4.31Å; L190-Y276 CarbonylContact O-C 3.57Å; L190-Y276 WeakPolarHBondContact O-CA 3.33Å; P191-Y276 HydrophobicContact CB-CD1 4.22Å; P191-Y276 HydrophobicContact CB-CE1 3.73Å; P191-Y276 HydrophobicContact CG-CE1 4.35Å; N196-Y276 VanDerWaalsContact ND2-CE2 3.31Å; N196-Y276 WeakPolarHBondContact ND2-CE2 3.4Å; N196-Y276 PolarHBondContact ND2-OH 2.57Å; Y198-Y276 WeakPolarHBondContact CE2-OH 3.33Å; Y198-Y276 WeakPolarHBondContact OH-CE1 3.34Å; Y198-Y276 PolarHBondContact OH-OH 2.87Å; L207-Y276 VanDerWaalsContact O-CE2 3.29Å; L207-Y276 WeakPolarHBondContact O-CE2 3.47Å; A210-Y276 PolarHBondContact O-N 3.18Å; V211-Y276 WeakPolarHBondContact CA-O 3.21Å; D212-Y276 PolarHBondContact N-O 2.78Å; V227-Y276 HydrophobicContact CB-CE1 4.34Å; V227-Y276 HydrophobicContact CG2-CD1 4.22Å; V227-Y276 HydrophobicContact CG2-CE1 3.65Å
277K97.4Very high89.5Confident70 Ų7063.7 Ų63.730%0.30429%0.291SS..EExtended strand (participates in β ladder)trans-94.8126.1169.8179.576.7-167165.80109.2L190 E192 D212 P279L190-K277 HydrophobicContact CB-CB 4.24Å; L190-K277 WeakPolarHBondContact CB-O 3.42Å; L190-K277 PolarHBondContact N-O 2.9Å; L190-K277 PolarHBondContact O-N 3.4Å; E192-K277 HydrophobicContact CG-CB 4.27Å; D212-K277 VanDerWaalsContact OD2-CD 3.23Å; D212-K277 WeakPolarHBondContact OD2-CD 3.36Å; D212-K277 WeakPolarHBondContact OD2-CE 3.43Å; D212-K277 IonicContact OD2-NZ 3.62Å; D212-K277 PolarHBondContact OD2-NZ 2.97Å; K277-P279 WeakPolarHBondContact O-CD 3.29Å
278A96.3Very high88Confident6 Ų673.4 Ų73.45%0.0533%0.333CS..  trans-97.3107.4170.600000110D188 L189 V211 D212 D213D188-A278 WeakPolarHBondContact O-CA 3.43Å; L189-A278 HydrophobicContact CD2-CB 4.05Å; V211-A278 HydrophobicContact CG1-CB 4.03Å; D212-A278 WeakPolarHBondContact OD1-CB 3.22Å; D212-A278 PolarHBondContact OD1-N 2.8Å; D213-A278 HydrophobicContact CB-CB 4.27Å
279P94.1Very high86.9Confident2 Ų278.9 Ų78.91%0.01336%0.357CS..  trans-61.2141.2174.8-23.536.5000111L130 D188 L190 K277 H281L130-P279 HydrophobicContact CD1-CB 4.24Å; L130-P279 HydrophobicContact CD1-CG 4.1Å; D188-P279 WeakPolarHBondContact O-CD 3.49Å; L190-P279 HydrophobicContact CD1-CG 3.55Å; L190-P279 HydrophobicContact CG-CG 3.91Å; K277-P279 WeakPolarHBondContact O-CD 3.29Å; P279-H281 PolarHBondContact O-N 3.07Å; P279-H281 PolarHBondContact O-ND1 3.46Å
280R88.8Confident86Confident232 Ų23280.4 Ų80.488%0.87536%0.364SS*.  trans-59.5128.1-179.1-67.7-177.3-178148.6-0.5110.9
281H84.8Confident85.4Confident54 Ų5484.5 Ų84.525%0.2538%0.382CS..  trans-154.5166.3176.866.2-95.7000111.3R124 H127 D188 P279 K283R124-H281 PolarHBondContact NH1-CD2 2.78Å; R124-H281 PolarHBondContact NH1-NE2 2.75Å; R124-H281 PolarHBondContact NH2-CD2 3.31Å; R124-H281 PolarHBondContact NH2-NE2 2.95Å; H127-H281 WeakPolarHBondContact NE2-CB 3.5Å; H127-H281 AromaticContact NE2-CG 3.78Å; H127-H281 AromaticContact NE2-ND1 3.73Å; D188-H281 IonicContact OD2-CE1 3.77Å; D188-H281 PolarHBondContact OD2-CE1 2.71Å; D188-H281 IonicContact OD2-ND1 2.83Å; D188-H281 IonicContact OD2-NE2 3.48Å; D188-H281 PolarHBondContact OD2-NE2 3.36Å; P279-H281 PolarHBondContact O-N 3.07Å; P279-H281 PolarHBondContact O-ND1 3.46Å; H281-K283 PolarHBondContact O-N 3.29Å
282K82.7Confident84.9Confident181 Ų18184.2 Ų84.279%0.78739%0.386SS*.  trans-70.2111.4176.3-175.5177.7179.7179.70110.1
283K77.8Confident84.5Confident131 Ų13180.7 Ų80.757%0.5737%0.373SS*.PPolyproline II helixtrans-73139.8173.2-63.6-175.3178.6-178.30110D213 H281D213-K283 WeakPolarHBondContact OD2-CE 3.3Å; D213-K283 IonicContact OD2-NZ 3.12Å; D213-K283 PolarHBondContact OD2-NZ 3.39Å; H281-K283 PolarHBondContact O-N 3.29Å
284Y76.1Confident84.2Confident142 Ų14280.1 Ų80.156%0.55737%0.37SS*.PPolyproline II helixtrans-82.4151.8173.5-79.2-86.3000110.3
285S72.8Confident83.8Confident104 Ų10482 Ų8273%0.72738%0.38SS*.PPolyproline II helixtrans-67.2141.917455.30000110.8
286I74.4Confident83.3Confident87 Ų8781.9 Ų81.945%0.44638%0.382SS..BIsolated β-bridgetrans-55.7138.9172.3-39.3-169.2000109.6W248 H290W248-I286 HydrophobicContact CE3-CB 4.13Å; W248-I286 HydrophobicContact CE3-CD1 4.34Å; W248-I286 HydrophobicContact CE3-CG1 3.67Å; W248-I286 HydrophobicContact CE3-CG2 4.13Å; W248-I286 HydrophobicContact CZ3-CB 4.47Å; W248-I286 HydrophobicContact CZ3-CD1 3.8Å; W248-I286 HydrophobicContact CZ3-CG1 3.61Å; W248-I286 HydrophobicContact CZ3-CG2 4.46Å; I286-H290 HydrophobicContact CG2-CB 4.4Å; I286-H290 WeakPolarHBondContact CG2-CE1 3.33Å; I286-H290 WeakPolarHBondContact CG2-ND1 3.39Å
287S74.8Confident82.8Confident29 Ų2981.9 Ų81.920%0.20338%0.382CS..PPolyproline II helixtrans-64.4139.5175.381.80000110.4W248 K289 H290W248-S287 PolarHBondContact O-N 3.49Å; W248-S287 VanDerWaalsContact O-N 3.11Å; S287-K289 PolarHBondContact O-N 3.07Å; S287-H290 PolarHBondContact O-N 3.44Å; S287-H290 PolarHBondContact O-ND1 3.37Å; S287-H290 WeakPolarHBondContact OG-CB 3.47Å; S287-H290 PolarHBondContact OG-N 3.48Å
288F65.4Low82.5Confident209 Ų20984 Ų8492%0.91739%0.388SS*.THydrogen-bonded Turntrans-61.4-16-177.2-167.6-95.4000113.6
289K73.8Confident81.9Confident119 Ų11985.4 Ų85.452%0.51739%0.394SS..THydrogen-bonded Turntrans-114-2.4-172.6-66.3-174.2176.3-175.70115.3S287 Q291 S292 D293S287-K289 PolarHBondContact O-N 3.07Å; K289-Q291 VanDerWaalsContact C-N 3.3Å; K289-Q291 PolarHBondContact O-N 3.34Å; K289-Q291 VanDerWaalsContact O-N 3.14Å; K289-S292 PolarHBondContact O-N 3.29Å; K289-S292 PolarHBondContact O-OG 3.43Å; K289-D293 WeakPolarHBondContact O-CB 3.45Å; K289-D293 PolarHBondContact O-N 3.44Å
290H77.9Confident81.8Confident33 Ų3386.2 Ų86.215%0.15340%0.397CS..Hα-helixtrans-48.3-46.7-173.168-67.7000113.7S250 I286 S287 D293 F294S250-H290 PolarHBondContact OG-CD2 3.45Å; I286-H290 HydrophobicContact CG2-CB 4.4Å; I286-H290 WeakPolarHBondContact CG2-CE1 3.33Å; I286-H290 WeakPolarHBondContact CG2-ND1 3.39Å; S287-H290 PolarHBondContact O-N 3.44Å; S287-H290 PolarHBondContact O-ND1 3.37Å; S287-H290 WeakPolarHBondContact OG-CB 3.47Å; S287-H290 PolarHBondContact OG-N 3.48Å; H290-D293 PolarHBondContact O-N 3.39Å; H290-F294 WeakPolarHBondContact O-CB 3.29Å; H290-F294 PolarHBondContact O-N 3.41Å
291Q81.6Confident81.8Confident97 Ų9779.7 Ų79.745%0.45338%0.38SS..Hα-helixtrans-66-45.8-179.6-57.4-178.6-25.100112.9K289 D293 F294 L295 Y425K289-Q291 VanDerWaalsContact C-N 3.3Å; K289-Q291 PolarHBondContact O-N 3.34Å; K289-Q291 VanDerWaalsContact O-N 3.14Å; Q291-D293 PolarHBondContact O-N 3.08Å; Q291-F294 PolarHBondContact O-N 3.21Å; Q291-L295 PolarHBondContact O-N 3.16Å; Q291-Y425 HydrophobicContact CB-CE2 4.45Å; Q291-Y425 WeakPolarHBondContact CG-OH 3.44Å; Q291-Y425 PolarHBondContact NE2-OH 3.36Å
292S83.5Confident81.9Confident54 Ų5481.2 Ų81.238%0.37839%0.386SS..Hα-helixtrans-65.8-31.6179.363.20000112.3K289 K296K289-S292 PolarHBondContact O-N 3.29Å; K289-S292 PolarHBondContact O-OG 3.43Å; S292-K296 WeakPolarHBondContact O-CG 3.33Å
293D84.3Confident82.3Confident45 Ų4572.8 Ų72.824%0.24135%0.35CS..Hα-helixtrans-73.8-39.9175.6-78.8-16.6000109.9R244 K289 H290 Q291 K296R244-D293 VanDerWaalsContact CZ-O 3.26Å; R244-D293 VanDerWaalsContact NH1-CB 3.32Å; R244-D293 PolarHBondContact NH1-O 3.41Å; R244-D293 PolarHBondContact NH2-O 2.88Å; K289-D293 WeakPolarHBondContact O-CB 3.45Å; K289-D293 PolarHBondContact O-N 3.44Å; H290-D293 PolarHBondContact O-N 3.39Å; Q291-D293 PolarHBondContact O-N 3.08Å; D293-K296 PolarHBondContact O-N 2.88Å
294F88.8Confident83.1Confident0 Ų066.6 Ų66.60%032%0.323CS..Hα-helixtrans-64.5-42.2176.8-179.3-151.1000112.7D253 E254 A257 H290 Q291 K296 F297 W424 Y425 F428 Y429D253-F294 HydrophobicContact CB-CD1 4.33Å; D253-F294 HydrophobicContact CB-CE1 3.99Å; D253-F294 HydrophobicContact CB-CE2 4.48Å; D253-F294 HydrophobicContact CB-CZ 4.07Å; E254-F294 HydrophobicContact CB-CD2 3.84Å; E254-F294 HydrophobicContact CB-CE2 4.05Å; A257-F294 HydrophobicContact CB-CE2 3.7Å; A257-F294 HydrophobicContact CB-CZ 3.98Å; H290-F294 WeakPolarHBondContact O-CB 3.29Å; H290-F294 PolarHBondContact O-N 3.41Å; Q291-F294 PolarHBondContact O-N 3.21Å; F294-K296 PolarHBondContact O-N 3.22Å; F294-F297 HydrophobicContact CD2-CB 4.41Å; F294-F297 HydrophobicContact CD2-CD1 4.28Å; F294-F297 HydrophobicContact CE2-CD1 4.07Å; F294-F297 HydrophobicContact CE2-CE1 4.49Å; F294-F297 HydrophobicContact CE2-CG 4.41Å; F294-F297 WeakPolarHBondContact O-CB 3.46Å; F294-F297 WeakPolarHBondContact O-CD1 3.33Å; F294-F297 PolarHBondContact O-N 3.2Å; F294-F297 VanDerWaalsContact O-N 3.09Å; F294-W424 HydrophobicContact CE1-CH2 4.42Å; F294-W424 HydrophobicContact CE1-CZ3 4.25Å; F294-W424 AromaticContact CE2-CH2 3.86Å; F294-W424 HydrophobicContact CE2-CH2 3.86Å; F294-W424 HydrophobicContact CE2-CZ3 4.16Å; F294-W424 AromaticContact CZ-CH2 3.57Å; F294-W424 HydrophobicContact CZ-CH2 3.57Å; F294-W424 AromaticContact CZ-CZ3 3.79Å; F294-W424 HydrophobicContact CZ-CZ3 3.79Å; F294-Y425 AromaticContact CD1-CD2 3.93Å; F294-Y425 HydrophobicContact CD1-CD2 3.93Å; F294-Y425 AromaticContact CD1-CE2 3.71Å; F294-Y425 HydrophobicContact CD1-CE2 3.71Å; F294-Y425 HydrophobicContact CE1-CD2 4.2Å; F294-Y425 HydrophobicContact CE1-CE2 4.26Å; F294-F428 AromaticContact CE1-CD1 3.72Å; F294-F428 HydrophobicContact CE1-CD1 3.72Å; F294-F428 AromaticContact CE1-CE1 3.83Å; F294-F428 HydrophobicContact CE1-CE1 3.83Å; F294-F428 HydrophobicContact CE1-CG 4.43Å; F294-F428 AromaticContact CZ-CD1 3.72Å; F294-F428 HydrophobicContact CZ-CD1 3.72Å; F294-F428 HydrophobicContact CZ-CD2 4.46Å; F294-F428 AromaticContact CZ-CE1 3.62Å; F294-F428 HydrophobicContact CZ-CE1 3.62Å; F294-F428 HydrophobicContact CZ-CE2 4.37Å; F294-F428 HydrophobicContact CZ-CG 4.15Å; F294-F428 AromaticContact CZ-CZ 3.97Å; F294-F428 HydrophobicContact CZ-CZ 3.97Å; F294-Y429 HydrophobicContact CD1-CE2 4.05Å; F294-Y429 AromaticContact CE1-CE2 3.74Å; F294-Y429 HydrophobicContact CE1-CE2 3.74Å; F294-Y429 AromaticContact CE1-CZ 3.97Å
295L89Confident84Confident39 Ų3959.9 Ų59.920%0.20430%0.297CS..THydrogen-bonded Turntrans-56-24.1176.7-75.1169.4000112.9Q291 D419 E420 Y425Q291-L295 PolarHBondContact O-N 3.16Å; L295-D419 CarbonylContact O-C 3.56Å; L295-D419 WeakPolarHBondContact O-CA 3.14Å; L295-E420 HydrophobicContact CD2-CB 4.15Å; L295-E420 PolarHBondContact O-N 2.72Å; L295-Y425 HydrophobicContact CD2-CD2 3.68Å; L295-Y425 HydrophobicContact CD2-CG 3.96Å; L295-Y425 HydrophobicContact CG-CD2 4.02Å
296K86.5Confident85Confident86 Ų8655.8 Ų55.837%0.37427%0.268SS..THydrogen-bonded Turntrans-92.111.3-176.9-63.7-176.4173.7176.10114.3S292 D293 F294 R298 D419S292-K296 WeakPolarHBondContact O-CG 3.33Å; D293-K296 PolarHBondContact O-N 2.88Å; F294-K296 PolarHBondContact O-N 3.22Å; K296-R298 PolarHBondContact O-N 3.49Å; K296-R298 VanDerWaalsContact O-N 3.13Å; K296-D419 VanDerWaalsContact CE-OD2 3.24Å; K296-D419 WeakPolarHBondContact CE-OD2 3.19Å; K296-D419 WeakPolarHBondContact CG-OD1 3.43Å
297F89.2Confident85.8Confident0 Ų052 Ų520%025%0.249CC..G310 helixtrans-68.4-13.7-168.688.3-82.3000115.5E254 A257 R258 L261 F294 N299 Y300 E420 W424E254-F297 HydrophobicContact CG-CB 3.64Å; E254-F297 HydrophobicContact CG-CD2 4.22Å; E254-F297 HydrophobicContact CG-CG 4.22Å; E254-F297 WeakPolarHBondContact OE1-CB 3.28Å; A257-F297 HydrophobicContact CB-CD2 4.22Å; A257-F297 HydrophobicContact CB-CE1 4.1Å; A257-F297 HydrophobicContact CB-CE2 3.72Å; A257-F297 HydrophobicContact CB-CZ 3.66Å; R258-F297 HydrophobicContact CG-CD2 4.18Å; R258-F297 HydrophobicContact CG-CE2 4.44Å; L261-F297 HydrophobicContact CD1-CE2 3.6Å; L261-F297 HydrophobicContact CD1-CZ 4.12Å; L261-F297 HydrophobicContact CD2-CZ 4.38Å; L261-F297 HydrophobicContact CG-CE2 4.08Å; L261-F297 HydrophobicContact CG-CZ 4.28Å; F294-F297 HydrophobicContact CD2-CB 4.41Å; F294-F297 HydrophobicContact CD2-CD1 4.28Å; F294-F297 HydrophobicContact CE2-CD1 4.07Å; F294-F297 HydrophobicContact CE2-CE1 4.49Å; F294-F297 HydrophobicContact CE2-CG 4.41Å; F294-F297 WeakPolarHBondContact O-CB 3.46Å; F294-F297 WeakPolarHBondContact O-CD1 3.33Å; F294-F297 PolarHBondContact O-N 3.2Å; F294-F297 VanDerWaalsContact O-N 3.09Å; F297-N299 PolarHBondContact O-N 3.11Å; F297-Y300 VanDerWaalsContact O-CB 3.3Å; F297-Y300 WeakPolarHBondContact O-CB 3.48Å; F297-Y300 PolarHBondContact O-N 3.38Å; F297-E420 HydrophobicContact CD1-CG 3.97Å; F297-E420 HydrophobicContact CE1-CG 3.57Å; F297-E420 WeakPolarHBondContact CE1-OE1 3.26Å; F297-W424 HydrophobicContact CD1-CH2 4.01Å; F297-W424 HydrophobicContact CD1-CZ3 4.26Å; F297-W424 HydrophobicContact CE1-CE3 4.43Å; F297-W424 AromaticContact CE1-CH2 3.2Å; F297-W424 HydrophobicContact CE1-CH2 3.2Å; F297-W424 AromaticContact CE1-CZ2 3.54Å; F297-W424 HydrophobicContact CE1-CZ2 3.54Å; F297-W424 AromaticContact CE1-CZ3 3.7Å; F297-W424 HydrophobicContact CE1-CZ3 3.7Å; F297-W424 AromaticContact CZ-CH2 3.77Å; F297-W424 HydrophobicContact CZ-CH2 3.77Å; F297-W424 AromaticContact CZ-CZ2 3.71Å; F297-W424 HydrophobicContact CZ-CZ2 3.71Å
298R89.3Confident86.6Confident113 Ų11350.7 Ų50.743%0.42624%0.24SC..G310 helixtrans-57.9-20-177.4-71.9-89.1176.788.2-6.8113.7K296 Y300 T418 E420K296-R298 PolarHBondContact O-N 3.49Å; K296-R298 VanDerWaalsContact O-N 3.13Å; R298-Y300 VanDerWaalsContact C-N 3.29Å; R298-Y300 PolarHBondContact O-N 3.06Å; R298-T418 WeakPolarHBondContact CB-O 3.39Å; R298-E420 HydrophobicContact CG-CG 4.16Å; R298-E420 IonicContact CZ-OE1 3.04Å; R298-E420 IonicContact CZ-OE2 2.75Å; R298-E420 IonicContact NE-OE1 3.38Å; R298-E420 PolarHBondContact NE-OE1 3.31Å; R298-E420 IonicContact NE-OE2 3.89Å; R298-E420 IonicContact NH1-OE1 2.77Å; R298-E420 IonicContact NH1-OE2 2.6Å; R298-E420 PolarHBondContact NH1-OE2 3.46Å; R298-E420 IonicContact NH2-OE1 3.5Å; R298-E420 PolarHBondContact NH2-OE1 3.08Å; R298-E420 IonicContact NH2-OE2 3.35Å; R298-E420 PolarHBondContact NH2-OE2 2.81Å
299N85.1Confident87.9Confident36 Ų3644.9 Ų44.919%0.19322%0.217CC..G310 helixtrans-88.319.5173.8-89.916.1000115.2F297 L301 H302 P413 I414 T418F297-N299 PolarHBondContact O-N 3.11Å; N299-L301 PolarHBondContact O-N 3.13Å; N299-H302 PolarHBondContact O-N 3.29Å; N299-H302 VanDerWaalsContact O-N 3.08Å; N299-P413 HydrophobicContact CB-CB 3.93Å; N299-P413 VanDerWaalsContact ND2-C 3.34Å; N299-P413 WeakPolarHBondContact ND2-CA 3.27Å; N299-P413 WeakPolarHBondContact ND2-CB 3.24Å; N299-I414 PolarHBondContact ND2-N 2.99Å; N299-I414 PolarHBondContact ND2-O 3.35Å; N299-T418 HydrophobicContact CB-CG2 3.98Å; N299-T418 WeakPolarHBondContact ND2-CG2 3.38Å; N299-T418 VanDerWaalsContact OD1-CG2 3.26Å; N299-T418 WeakPolarHBondContact OD1-CG2 3.31Å
300Y90.3Very high88.7Confident19 Ų1945.9 Ų45.98%0.07522%0.224CC..G310 helixtrans-54.8-23.3-178.372.2-79.5000115.9I238 N239 R258 L261 Y262 F297 R298 H302 D303I238-Y300 WeakPolarHBondContact O-CD2 3.43Å; I238-Y300 WeakPolarHBondContact O-CE2 3.01Å; N239-Y300 HydrophobicContact CB-CD2 4.14Å; N239-Y300 HydrophobicContact CB-CE2 4.43Å; N239-Y300 PolarHBondContact ND2-O 2.87Å; R258-Y300 HydrophobicContact CG-CD1 4.48Å; R258-Y300 HydrophobicContact CG-CD2 4Å; R258-Y300 HydrophobicContact CG-CG 3.94Å; R258-Y300 VanDerWaalsContact NE-CB 3.32Å; R258-Y300 VanDerWaalsContact NH2-CB 3.31Å; L261-Y300 HydrophobicContact CD1-CD1 4.24Å; L261-Y300 HydrophobicContact CD1-CE1 3.67Å; Y262-Y300 AromaticContact CE2-CE2 3.93Å; Y262-Y300 HydrophobicContact CE2-CE2 3.93Å; Y262-Y300 AromaticContact CE2-CZ 3.8Å; Y262-Y300 WeakPolarHBondContact CE2-OH 3.45Å; Y262-Y300 PolarHBondContact OH-OH 3.46Å; F297-Y300 VanDerWaalsContact O-CB 3.3Å; F297-Y300 WeakPolarHBondContact O-CB 3.48Å; F297-Y300 PolarHBondContact O-N 3.38Å; R298-Y300 VanDerWaalsContact C-N 3.29Å; R298-Y300 PolarHBondContact O-N 3.06Å; Y300-H302 PolarHBondContact O-N 2.85Å; Y300-H302 VanDerWaalsContact O-N 3.1Å; Y300-D303 CarbonylContact O-C 3.56Å; Y300-D303 PolarHBondContact O-N 2.82Å
301L89.6Confident89.2Confident96 Ų9650.6 Ų50.650%0.50324%0.244SC..G310 helixtrans-60.6-21.4177.4-66.5176000112.9N239 N299 S306N239-L301 PolarHBondContact ND2-O 3.1Å; N299-L301 PolarHBondContact O-N 3.13Å; L301-S306 PolarHBondContact O-OG 3.36Å
302H87.9Confident89.6Confident85 Ų8553.2 Ų53.239%0.39425%0.254SS..G310 helixtrans-1012.4175.7-58.8-67.7000113.8N299 Y300N299-H302 PolarHBondContact O-N 3.29Å; N299-H302 VanDerWaalsContact O-N 3.08Å; Y300-H302 PolarHBondContact O-N 2.85Å; Y300-H302 VanDerWaalsContact O-N 3.1Å
303D90Very high89.8Confident5 Ų551.8 Ų51.83%0.02724%0.241CC..SBendtrans-139.896.7-175.5177.528.5000110.9T243 R244 R258 Y300 L411T243-D303 WeakPolarHBondContact CA-OD1 3.27Å; T243-D303 WeakPolarHBondContact CB-OD1 3.46Å; T243-D303 PolarHBondContact N-OD1 2.79Å; T243-D303 PolarHBondContact OG1-OD1 3.34Å; R244-D303 WeakPolarHBondContact CD-OD2 3.42Å; R244-D303 WeakPolarHBondContact CG-OD2 3.21Å; R244-D303 IonicContact CZ-OD2 2.62Å; R244-D303 PolarHBondContact N-OD1 3.31Å; R244-D303 IonicContact NE-OD2 3.36Å; R244-D303 PolarHBondContact NE-OD2 2.82Å; R258-D303 VanDerWaalsContact CZ-O 3.28Å; R258-D303 PolarHBondContact NH1-O 2.8Å; R258-D303 PolarHBondContact NH2-O 2.78Å; R258-D303 IonicContact NH2-OD2 3.04Å; Y300-D303 CarbonylContact O-C 3.56Å; Y300-D303 PolarHBondContact O-N 2.82Å; D303-L411 HydrophobicContact CB-CD2 4.25Å
304G93.9Very high90.1Very high0 Ų050.8 Ų50.80%024%0.235CC..SBendtrans155.4-153.4-176.500000112.3D166 N239 F241 S306 I307D166-G304 VanDerWaalsContact OD2-C 3.28Å; D166-G304 WeakPolarHBondContact OD2-CA 2.95Å; N239-G304 VanDerWaalsContact O-CA 3.31Å; N239-G304 WeakPolarHBondContact O-CA 3.44Å; F241-G304 WeakPolarHBondContact O-CA 3.45Å; G304-S306 PolarHBondContact O-N 2.79Å; G304-I307 VanDerWaalsContact O-CG2 3.25Å; G304-I307 WeakPolarHBondContact O-CG2 3.45Å; G304-I307 PolarHBondContact O-N 3.5Å
305L95.5Very high90.2Very high1 Ų157 Ų571%0.00526%0.262CS..Hα-helixtrans-47.8-41.4-178.7-78.3168.6000113.9D166 V169 L170 I235 F236 N239 I307 L308 I309D166-L305 HydrophobicContact CB-CD2 3.76Å; D166-L305 HydrophobicContact CB-CG 4.2Å; D166-L305 WeakPolarHBondContact O-CD2 3.47Å; D166-L305 PolarHBondContact OD2-N 2.87Å; D166-L305 VanDerWaalsContact OD2-N 3.12Å; V169-L305 HydrophobicContact CB-CD2 4.11Å; V169-L305 HydrophobicContact CG1-CD1 4.29Å; V169-L305 HydrophobicContact CG1-CD2 4.09Å; L170-L305 HydrophobicContact CD1-CD2 4.46Å; L170-L305 HydrophobicContact CD2-CD2 4.03Å; L170-L305 HydrophobicContact CG-CD2 3.94Å; I235-L305 HydrophobicContact CG1-CD1 4.02Å; F236-L305 HydrophobicContact CD1-CD1 4.34Å; F236-L305 HydrophobicContact CE1-CD1 4.34Å; F236-L305 HydrophobicContact CZ-CD1 4.5Å; N239-L305 PolarHBondContact O-N 2.85Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 PolarHBondContact O-N 2.83Å; L305-L308 PolarHBondContact O-N 3.46Å; L305-I309 WeakPolarHBondContact O-CG1 3.38Å; L305-I309 PolarHBondContact O-N 3.23Å
306S93.8Very high90.3Very high18 Ų1859.8 Ų59.813%0.12627%0.272CS..Hα-helixtrans-54.4-40.2-179.463.60000112.8N239 L301 G304 I309 Q310N239-S306 PolarHBondContact ND2-OG 3.06Å; N239-S306 VanDerWaalsContact OD1-CB 3.22Å; N239-S306 WeakPolarHBondContact OD1-CB 3.49Å; N239-S306 PolarHBondContact OD1-N 3.12Å; N239-S306 PolarHBondContact OD1-OG 3.07Å; L301-S306 PolarHBondContact O-OG 3.36Å; G304-S306 PolarHBondContact O-N 2.79Å; S306-I309 PolarHBondContact O-N 3.24Å; S306-Q310 VanDerWaalsContact O-CB 3.27Å; S306-Q310 WeakPolarHBondContact O-CB 3.21Å; S306-Q310 WeakPolarHBondContact O-CG 3.22Å; S306-Q310 PolarHBondContact O-N 3Å
307I91.3Very high90.3Very high9 Ų956.3 Ų56.35%0.04626%0.257CS..Hα-helixtrans-70.2-38.6-177.2-157.865.6000111.5T243 G304 L305 I309 K311 I410 L411T243-I307 HydrophobicContact CG2-CG2 4.41Å; G304-I307 VanDerWaalsContact O-CG2 3.25Å; G304-I307 WeakPolarHBondContact O-CG2 3.45Å; G304-I307 PolarHBondContact O-N 3.5Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 PolarHBondContact O-N 2.83Å; I307-I309 VanDerWaalsContact C-N 3.29Å; I307-I309 PolarHBondContact O-N 2.86Å; I307-K311 HydrophobicContact CD1-CD 4.47Å; I307-K311 HydrophobicContact CD1-CG 3.64Å; I307-K311 HydrophobicContact CG1-CG 3.99Å; I307-K311 VanDerWaalsContact O-CB 3.28Å; I307-K311 WeakPolarHBondContact O-CB 3.3Å; I307-K311 PolarHBondContact O-N 2.73Å; I307-I410 HydrophobicContact CD1-CG2 3.7Å; I307-I410 HydrophobicContact CG1-CG2 3.6Å; I307-L411 HydrophobicContact CB-CD2 4.49Å; I307-L411 HydrophobicContact CG1-CD2 4.13Å; I307-L411 HydrophobicContact CG2-CD2 4.21Å
308L93Very high90.4Very high0 Ų058.4 Ų58.40%027%0.266CS..Hα-helixtrans-65.1-36.3-179.7-60.9-176.9000111.8L163 D166 V167 L170 L305 I313 Y314 L403L163-L308 HydrophobicContact CD1-CD1 4.17Å; L163-L308 HydrophobicContact CD1-CD2 3.65Å; L163-L308 HydrophobicContact CD1-CG 4.46Å; D166-L308 HydrophobicContact CB-CD1 3.63Å; V167-L308 HydrophobicContact CG2-CD1 3.88Å; L170-L308 HydrophobicContact CD1-CB 3.72Å; L170-L308 HydrophobicContact CD1-CD1 4.13Å; L305-L308 PolarHBondContact O-N 3.46Å; L308-I313 HydrophobicContact CD2-CB 4.22Å; L308-I313 HydrophobicContact CD2-CD1 4.38Å; L308-I313 HydrophobicContact CD2-CG2 4Å; L308-I313 PolarHBondContact O-N 3.16Å; L308-Y314 PolarHBondContact O-N 3.42Å; L308-L403 HydrophobicContact CD2-CD2 4.5Å
309I92.3Very high90.3Very high88 Ų8856.5 Ų56.545%0.45126%0.264SS..Hα-helixtrans-76-57.8177.1-60.4168.9000110.4L170 F236 L305 S306 I307 K311 K312L170-I309 HydrophobicContact CD1-CG1 4.09Å; L170-I309 HydrophobicContact CD2-CD1 3.86Å; L170-I309 HydrophobicContact CD2-CG1 3.81Å; F236-I309 HydrophobicContact CE1-CD1 4.38Å; L305-I309 WeakPolarHBondContact O-CG1 3.38Å; L305-I309 PolarHBondContact O-N 3.23Å; S306-I309 PolarHBondContact O-N 3.24Å; I307-I309 VanDerWaalsContact C-N 3.29Å; I307-I309 PolarHBondContact O-N 2.86Å; I309-K311 VanDerWaalsContact C-N 3.33Å; I309-K311 PolarHBondContact O-N 2.83Å; I309-K312 PolarHBondContact O-N 3.42Å
310Q90.1Very high90.3Very high139 Ų13957.9 Ų57.965%0.6527%0.269SS*.Hα-helixtrans-63.1-38-171.6-70.8173.8600112.6S306 K312S306-Q310 VanDerWaalsContact O-CB 3.27Å; S306-Q310 WeakPolarHBondContact O-CB 3.21Å; S306-Q310 WeakPolarHBondContact O-CG 3.22Å; S306-Q310 PolarHBondContact O-N 3Å; Q310-K312 VanDerWaalsContact C-N 3.27Å; Q310-K312 PolarHBondContact O-N 3.29Å
311K87.5Confident90.1Very high132 Ų13257.6 Ų57.657%0.57427%0.269SS*.THydrogen-bonded Turntrans-86.34.8177.4-59.6-68.6-178.9-178.20113I307 I309 I313I307-K311 HydrophobicContact CD1-CD 4.47Å; I307-K311 HydrophobicContact CD1-CG 3.64Å; I307-K311 HydrophobicContact CG1-CG 3.99Å; I307-K311 VanDerWaalsContact O-CB 3.28Å; I307-K311 WeakPolarHBondContact O-CB 3.3Å; I307-K311 PolarHBondContact O-N 2.73Å; I309-K311 VanDerWaalsContact C-N 3.33Å; I309-K311 PolarHBondContact O-N 2.83Å; K311-I313 HydrophobicContact CB-CD1 3.81Å; K311-I313 HydrophobicContact CB-CG1 3.79Å; K311-I313 PolarHBondContact O-N 3.22Å; K311-I313 VanDerWaalsContact O-N 3.08Å
312K90.2Very high89.7Confident153 Ų15357.2 Ų57.267%0.66527%0.267SS*.THydrogen-bonded Turntrans53.624.4-176.9-57.3-177.8178-179.10113.8I309 Q310 Y314 F315 K316I309-K312 PolarHBondContact O-N 3.42Å; Q310-K312 VanDerWaalsContact C-N 3.27Å; Q310-K312 PolarHBondContact O-N 3.29Å; K312-Y314 PolarHBondContact O-N 2.92Å; K312-F315 PolarHBondContact O-N 2.95Å; K312-K316 PolarHBondContact O-N 3.41Å; K312-K316 VanDerWaalsContact O-N 3.11Å
313I88.2Confident89.4Confident23 Ų2357.4 Ų57.412%0.11827%0.272CS..Hα-helixtrans-62.2-47.2-177.8-67.1165.4000109.5L308 K311 F315 K316 W317 F398 L403L308-I313 HydrophobicContact CD2-CB 4.22Å; L308-I313 HydrophobicContact CD2-CD1 4.38Å; L308-I313 HydrophobicContact CD2-CG2 4Å; L308-I313 PolarHBondContact O-N 3.16Å; K311-I313 HydrophobicContact CB-CD1 3.81Å; K311-I313 HydrophobicContact CB-CG1 3.79Å; K311-I313 PolarHBondContact O-N 3.22Å; K311-I313 VanDerWaalsContact O-N 3.08Å; I313-F315 PolarHBondContact O-N 2.92Å; I313-K316 PolarHBondContact O-N 3.45Å; I313-W317 VanDerWaalsContact O-CD1 3.27Å; I313-W317 PolarHBondContact O-N 2.64Å; I313-F398 HydrophobicContact CG2-CE2 4.32Å; I313-F398 HydrophobicContact CG2-CZ 4.06Å; I313-L403 HydrophobicContact CD1-CD1 4.07Å
314Y90.9Very high88.7Confident25 Ų2561.9 Ų61.910%0.09829%0.291CS..Hα-helixtrans-59.4-47.2178.3169.4-109.3000112V167 L170 H171 D174 L308 K312 K316 W317 K318 F396V167-Y314 HydrophobicContact CG1-CD2 4.36Å; L170-Y314 HydrophobicContact CB-CD1 3.91Å; L170-Y314 HydrophobicContact CB-CD2 3.92Å; L170-Y314 HydrophobicContact CB-CE1 4.01Å; L170-Y314 HydrophobicContact CB-CE2 4.03Å; L170-Y314 HydrophobicContact CB-CG 3.89Å; L170-Y314 HydrophobicContact CD1-CD1 4.17Å; L170-Y314 HydrophobicContact CD1-CD2 4.3Å; L170-Y314 HydrophobicContact CD1-CG 3.76Å; L170-Y314 HydrophobicContact CG-CG 4.49Å; H171-Y314 VanDerWaalsContact CA-OH 3.29Å; H171-Y314 WeakPolarHBondContact CA-OH 3.24Å; H171-Y314 HydrophobicContact CB-CE2 4.03Å; H171-Y314 PolarHBondContact ND1-OH 2.91Å; D174-Y314 WeakPolarHBondContact CB-OH 3.22Å; D174-Y314 PolarHBondContact OD2-OH 3.49Å; L308-Y314 PolarHBondContact O-N 3.42Å; K312-Y314 PolarHBondContact O-N 2.92Å; Y314-K316 PolarHBondContact O-N 3.34Å; Y314-W317 PolarHBondContact O-N 2.89Å; Y314-K318 HydrophobicContact CE1-CD 4.44Å; Y314-K318 WeakPolarHBondContact O-CB 3.36Å; Y314-K318 PolarHBondContact O-N 3.45Å; Y314-F396 HydrophobicContact CE2-CZ 4.24Å
315F90.5Very high87.7Confident130 Ų13068 Ų6857%0.5732%0.318SS*.Hα-helixtrans-61.6-42.7-177.9-176.7-95.9000112.4K312 I313 W317 K318 I319K312-F315 PolarHBondContact O-N 2.95Å; I313-F315 PolarHBondContact O-N 2.92Å; F315-W317 PolarHBondContact O-N 3.3Å; F315-K318 PolarHBondContact O-N 3.22Å; F315-I319 HydrophobicContact CE1-CG1 4.48Å; F315-I319 PolarHBondContact O-N 3.18Å
316K90.5Very high86.2Confident97 Ų9774 Ų7442%0.42235%0.349SS..Hα-helixtrans-55.8-52.7175.2-178.5-174.2172.6-174.20110.7K312 I313 Y314 K318 I319 E320 D402K312-K316 PolarHBondContact O-N 3.41Å; K312-K316 VanDerWaalsContact O-N 3.11Å; I313-K316 PolarHBondContact O-N 3.45Å; Y314-K316 PolarHBondContact O-N 3.34Å; K316-K318 PolarHBondContact O-N 3.1Å; K316-I319 PolarHBondContact O-N 3.27Å; K316-E320 WeakPolarHBondContact CE-OE1 3.38Å; K316-E320 PolarHBondContact O-N 3.37Å; K316-D402 IonicContact NZ-OD2 3.83Å; K316-D402 PolarHBondContact NZ-OD2 2.98Å
317W87.8Confident84.6Confident13 Ų1382.1 Ų82.15%0.04938%0.382CS..Hα-helixtrans-72.3-28.4-175.9-76.1107.7000114.2I313 Y314 F315 I319 E320 S321 F398 D399I313-W317 VanDerWaalsContact O-CD1 3.27Å; I313-W317 PolarHBondContact O-N 2.64Å; Y314-W317 PolarHBondContact O-N 2.89Å; F315-W317 PolarHBondContact O-N 3.3Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.16Å; W317-E320 HydrophobicContact CE3-CB 4.03Å; W317-E320 HydrophobicContact CE3-CG 4.48Å; W317-E320 VanDerWaalsContact CH2-OE2 3.28Å; W317-E320 WeakPolarHBondContact CH2-OE2 3.42Å; W317-E320 HydrophobicContact CZ3-CB 4.29Å; W317-E320 WeakPolarHBondContact CZ3-OE2 3.15Å; W317-E320 PolarHBondContact O-N 2.79Å; W317-S321 VanDerWaalsContact O-CB 3.3Å; W317-S321 WeakPolarHBondContact O-CB 3.47Å; W317-S321 PolarHBondContact O-N 3.18Å; W317-F398 HydrophobicContact CB-CD2 3.54Å; W317-F398 HydrophobicContact CB-CE2 3.59Å; W317-F398 AromaticContact CD1-CE2 3.33Å; W317-F398 AromaticContact CD1-CZ 3.95Å; W317-F398 HydrophobicContact CD2-CD2 4.43Å; W317-F398 HydrophobicContact CD2-CE2 4.41Å; W317-F398 AromaticContact CG-CD2 3.7Å; W317-F398 HydrophobicContact CG-CD2 3.7Å; W317-F398 AromaticContact CG-CE2 3.48Å; W317-F398 HydrophobicContact CG-CE2 3.48Å; W317-F398 VanDerWaalsContact CG-CE2 3.48Å; W317-F398 HydrophobicContact CG-CZ 4.43Å; W317-D399 HydrophobicContact CE3-CB 4.2Å; W317-D399 HydrophobicContact CH2-CB 3.55Å; W317-D399 WeakPolarHBondContact CH2-O 3.18Å; W317-D399 HydrophobicContact CZ2-CB 4.22Å; W317-D399 WeakPolarHBondContact CZ2-O 3.39Å; W317-D399 HydrophobicContact CZ3-CB 3.52Å; W317-D399 PolarHBondContact NE1-O 3.04Å
318K89.8Confident83.2Confident44 Ų4487.9 Ų87.919%0.19141%0.406CS..Hα-helixtrans-54.8-49171.1177.1-175.7169.8179.30111.2D174 Y314 F315 K316 S321 L322 F396D174-K318 IonicContact OD1-NZ 3.83Å; D174-K318 PolarHBondContact OD1-NZ 3.01Å; D174-K318 WeakPolarHBondContact OD2-CD 2.94Å; D174-K318 WeakPolarHBondContact OD2-CE 3.36Å; D174-K318 IonicContact OD2-NZ 2.99Å; D174-K318 PolarHBondContact OD2-NZ 3.17Å; Y314-K318 HydrophobicContact CE1-CD 4.44Å; Y314-K318 WeakPolarHBondContact O-CB 3.36Å; Y314-K318 PolarHBondContact O-N 3.45Å; F315-K318 PolarHBondContact O-N 3.22Å; K316-K318 PolarHBondContact O-N 3.1Å; K318-S321 PolarHBondContact O-N 3.14Å; K318-L322 HydrophobicContact CG-CD1 4.23Å; K318-L322 WeakPolarHBondContact O-CG 3.16Å; K318-L322 PolarHBondContact O-N 3.48Å; K318-L322 VanDerWaalsContact O-N 3.08Å; K318-F396 HydrophobicContact CB-CE2 4.41Å; K318-F396 HydrophobicContact CB-CZ 4.39Å
319I87.9Confident81.8Confident74 Ų7495.4 Ų95.438%0.37944%0.439SS..Hα-helixtrans-63.7-43.3179.5-61.7-60000111.2F315 K316 W317 S321 L322 N323F315-I319 HydrophobicContact CE1-CG1 4.48Å; F315-I319 PolarHBondContact O-N 3.18Å; K316-I319 PolarHBondContact O-N 3.27Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.16Å; I319-S321 PolarHBondContact O-N 2.66Å; I319-L322 PolarHBondContact O-N 2.72Å; I319-N323 PolarHBondContact O-N 3.3Å; I319-N323 VanDerWaalsContact O-N 3.07Å; I319-N323 PolarHBondContact O-ND2 3.19Å
320E86.2Confident80.7Confident64 Ų6492.9 Ų92.930%0.29943%0.426SS..Hα-helixtrans-64.1-40.8178.8-66.1-173.2-152.600112.7K316 W317 N323 K324K316-E320 WeakPolarHBondContact CE-OE1 3.38Å; K316-E320 PolarHBondContact O-N 3.37Å; W317-E320 HydrophobicContact CE3-CB 4.03Å; W317-E320 HydrophobicContact CE3-CG 4.48Å; W317-E320 VanDerWaalsContact CH2-OE2 3.28Å; W317-E320 WeakPolarHBondContact CH2-OE2 3.42Å; W317-E320 HydrophobicContact CZ3-CB 4.29Å; W317-E320 WeakPolarHBondContact CZ3-OE2 3.15Å; W317-E320 PolarHBondContact O-N 2.79Å; E320-N323 PolarHBondContact O-N 2.87Å; E320-K324 WeakPolarHBondContact O-CG 3.45Å; E320-K324 PolarHBondContact O-N 3.01Å; E320-K324 VanDerWaalsContact O-N 3.16Å
321S84.5Confident79.3Confident13 Ų1390.6 Ų90.69%0.09143%0.425CS..Hα-helixtrans-61.7-46175.9-174.80000111.8W317 K318 I319 N323 K324 K325 I397W317-S321 VanDerWaalsContact O-CB 3.3Å; W317-S321 WeakPolarHBondContact O-CB 3.47Å; W317-S321 PolarHBondContact O-N 3.18Å; K318-S321 PolarHBondContact O-N 3.14Å; I319-S321 PolarHBondContact O-N 2.66Å; S321-N323 PolarHBondContact O-N 3.01Å; S321-K324 PolarHBondContact O-N 3.27Å; S321-K325 PolarHBondContact O-N 3.16Å; S321-I397 WeakPolarHBondContact CB-O 3.48Å; S321-I397 PolarHBondContact OG-N 3.31Å; S321-I397 PolarHBondContact OG-O 3.31Å
322L83Confident78.1Confident88 Ų8885.2 Ų85.246%0.46140%0.403SS..Hα-helixtrans-61-42.7176.7-70.4171000112.2K318 I319 K324 K325 L326K318-L322 HydrophobicContact CG-CD1 4.23Å; K318-L322 WeakPolarHBondContact O-CG 3.16Å; K318-L322 PolarHBondContact O-N 3.48Å; K318-L322 VanDerWaalsContact O-N 3.08Å; I319-L322 PolarHBondContact O-N 2.72Å; L322-K324 VanDerWaalsContact C-N 3.29Å; L322-K324 PolarHBondContact O-N 3.48Å; L322-K325 PolarHBondContact O-N 2.96Å; L322-K325 VanDerWaalsContact O-N 3.16Å; L322-L326 PolarHBondContact O-N 3.38Å
323N79.9Confident76.8Confident90 Ų9084.2 Ų84.248%0.48140%0.401SS..Hα-helixtrans-64-31.6178-73.7-22.9000113I319 E320 S321I319-N323 PolarHBondContact O-N 3.3Å; I319-N323 VanDerWaalsContact O-N 3.07Å; I319-N323 PolarHBondContact O-ND2 3.19Å; E320-N323 PolarHBondContact O-N 2.87Å; S321-N323 PolarHBondContact O-N 3.01Å
324K77.1Confident75.2Confident98 Ų9890 Ų9043%0.42643%0.425SS..Hα-helixtrans-67.5-38.7173.8-72.5176.8-177.8176.50111.8E320 S321 L322E320-K324 WeakPolarHBondContact O-CG 3.45Å; E320-K324 PolarHBondContact O-N 3.01Å; E320-K324 VanDerWaalsContact O-N 3.16Å; S321-K324 PolarHBondContact O-N 3.27Å; L322-K324 VanDerWaalsContact C-N 3.29Å; L322-K324 PolarHBondContact O-N 3.48Å
325K72.4Confident73.4Confident130 Ų13096.5 Ų96.557%0.56545%0.454SS*.Hα-helixtrans-68.9-38.1-178.7-165.1173-178.6179.30112.9S321 L322 K327 K328S321-K325 PolarHBondContact O-N 3.16Å; L322-K325 PolarHBondContact O-N 2.96Å; L322-K325 VanDerWaalsContact O-N 3.16Å; K325-K327 PolarHBondContact O-N 3.44Å; K325-K328 PolarHBondContact O-N 2.77Å
326L63.9Low72.3Confident126 Ų12693.7 Ų93.766%0.6644%0.442SS*.Hα-helixtrans-62.1-23.5-178.3-74170.8000114.5L322 K328L322-L326 PolarHBondContact O-N 3.38Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3Å
327K60Low71.6Confident189 Ų18991.8 Ų91.882%0.82244%0.439SS*.THydrogen-bonded Turntrans-75.2-7.2-178.9-67.9-176.9179.2-177.90114.4K325K325-K327 PolarHBondContact O-N 3.44Å
328K62.1Low71.4Confident129 Ų12991.3 Ų91.356%0.56144%0.437SS*.THydrogen-bonded Turntrans-99.631.2-173.6-153.4-176.1175-175.20114.3K325 L326 D386K325-K328 PolarHBondContact O-N 2.77Å; L326-K328 VanDerWaalsContact C-N 3.26Å; L326-K328 PolarHBondContact O-N 3Å; K328-D386 IonicContact NZ-OD2 3.63Å; K328-D386 PolarHBondContact NZ-OD2 3.17Å
329K63.2Low71.3Confident158 Ų15891.6 Ų91.669%0.68744%0.439SS*.PPolyproline II helixtrans-72.5131.3173.6-80.6-169.1177.9-175.40110.9
330I68.7Low71.4Confident35 Ų3588 Ų8818%0.17942%0.42CS..BIsolated β-bridgetrans-97.4123.7-173.2-59.6172.3000108.7N357 L383 L387I330-N357 PolarHBondContact O-N 3.5Å; I330-L383 HydrophobicContact CD1-CD1 3.19Å; I330-L383 HydrophobicContact CG1-CD1 4.36Å; I330-L383 HydrophobicContact CG2-CD1 4.08Å; I330-L383 HydrophobicContact CG2-CD2 4.47Å; I330-L387 HydrophobicContact CD1-CD2 4.41Å
331S62.2Low71.8Confident91 Ų9185.1 Ų85.164%0.63641%0.407SS*.PPolyproline II helixtrans-92.3118170.6-172.90000108.7
332L62.4Low72.3Confident19 Ų1986.3 Ų86.310%0.09942%0.415CS..PPolyproline II helixtrans-71.9151.1168.6-70.1172.4000110.3F338 I356 L358 Y379 L383L332-F338 HydrophobicContact CD1-CB 4.39Å; L332-F338 HydrophobicContact CD2-CD2 4.5Å; L332-I356 HydrophobicContact CD1-CG2 3.35Å; L332-I356 HydrophobicContact CG-CG2 3.86Å; L332-L358 HydrophobicContact CD1-CD2 4.23Å; L332-Y379 HydrophobicContact CD2-CE1 4.08Å; L332-L383 HydrophobicContact CD2-CD2 4.1Å
333H62Low72.9Confident133 Ų13383.5 Ų83.562%0.61640%0.399SS*.PPolyproline II helixtrans-66143.7170.6-74.9-78.9000110.3F335 Q336H333-F335 PolarHBondContact O-N 3.2Å; H333-Q336 HydrophobicContact CB-CG 4.34Å
334K54.9Low73.6Confident143 Ų14379.5 Ų79.562%0.62238%0.378SS*.THydrogen-bonded Turntrans-53.8125.6172.9-87.8178.3174.3-177.20109N363K334-N363 WeakPolarHBondContact CE-OD1 3.46Å; K334-N363 VanDerWaalsContact CG-OD1 3.23Å; K334-N363 WeakPolarHBondContact CG-OD1 3.31Å
335F53.7Low74.4Confident163 Ų16376.6 Ų76.672%0.71537%0.367SS*.THydrogen-bonded Turntrans77.744177.9-46.2-74000117.5H333H333-F335 PolarHBondContact O-N 3.2Å
336Q66.4Low75.5Confident70 Ų7074.4 Ų74.433%0.32737%0.368SS..  trans-112.8133.1170.1-73.3-178.1-22.600112.6H333 F338H333-Q336 HydrophobicContact CB-CG 4.34Å; Q336-F338 PolarHBondContact O-N 3.42Å
337T75.8Confident77Confident58 Ų5870.6 Ų70.636%0.35635%0.351SS..PPolyproline II helixtrans-71.2118.8162.5-51.40000108.6S366 E368T337-S366 CarbonylContact C-O 3.51Å; T337-S366 WeakPolarHBondContact CA-O 3.42Å; T337-S366 WeakPolarHBondContact CG2-OG 3.32Å; T337-S366 PolarHBondContact OG1-OG 3.28Å; T337-S366 VanDerWaalsContact OG1-OG 3.1Å; T337-E368 HydrophobicContact CG2-CB 3.59Å
338F84.1Confident78.7Confident3 Ų361.6 Ų61.61%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-88.8117.1173.3-173.7-111.4000109.5L332 Q336 I340 I352 I356 S366 I367 E368 L383 L384L332-F338 HydrophobicContact CD1-CB 4.39Å; L332-F338 HydrophobicContact CD2-CD2 4.5Å; Q336-F338 PolarHBondContact O-N 3.42Å; F338-I340 HydrophobicContact CD1-CD1 3.84Å; F338-I340 HydrophobicContact CD1-CG1 3.53Å; F338-I340 HydrophobicContact CE1-CD1 3.82Å; F338-I340 HydrophobicContact CE1-CG1 3.46Å; F338-I340 VanDerWaalsContact CE1-CG1 3.46Å; F338-I352 HydrophobicContact CE1-CG2 4.15Å; F338-I352 HydrophobicContact CZ-CG2 4.4Å; F338-I356 HydrophobicContact CD1-CD1 3.75Å; F338-I356 HydrophobicContact CD2-CD1 4.29Å; F338-I356 HydrophobicContact CE1-CD1 3.24Å; F338-I356 HydrophobicContact CE2-CD1 3.88Å; F338-I356 HydrophobicContact CG-CD1 4.24Å; F338-I356 HydrophobicContact CZ-CD1 3.33Å; F338-S366 PolarHBondContact N-O 2.93Å; F338-I367 WeakPolarHBondContact O-CA 3.48Å; F338-E368 PolarHBondContact O-N 3.46Å; F338-L383 HydrophobicContact CD2-CD2 4.44Å; F338-L383 HydrophobicContact CE2-CD2 3.72Å; F338-L383 HydrophobicContact CE2-CG 4.34Å; F338-L383 HydrophobicContact CZ-CD2 4.47Å; F338-L384 HydrophobicContact CE1-CD2 4.35Å; F338-L384 HydrophobicContact CZ-CD2 3.75Å; F338-L384 HydrophobicContact CZ-CG 4.07Å
339K88.1Confident80.2Confident49 Ų4958.4 Ų58.421%0.21330%0.297CS..EExtended strand (participates in β ladder)trans-91.4123.7-177.8-68.3-177.4174.1-1420110.3E368 V370 N375 L376K339-E368 CarbonylContact C-O 3.46Å; K339-E368 VanDerWaalsContact CA-O 3.28Å; K339-E368 WeakPolarHBondContact CA-O 3.48Å; K339-E368 WeakPolarHBondContact CE-OE1 3.35Å; K339-E368 VanDerWaalsContact CE-OE2 3.24Å; K339-E368 WeakPolarHBondContact CE-OE2 3.26Å; K339-E368 HydrophobicContact CG-CB 4.21Å; K339-E368 IonicContact NZ-OE1 3.67Å; K339-E368 PolarHBondContact NZ-OE1 3.3Å; K339-E368 VanDerWaalsContact NZ-OE1 3.08Å; K339-E368 IonicContact NZ-OE2 3.98Å; K339-V370 HydrophobicContact CB-CG1 3.93Å; K339-V370 HydrophobicContact CB-CG2 4.42Å; K339-V370 HydrophobicContact CD-CG1 3.86Å; K339-V370 HydrophobicContact CG-CG1 4.04Å; K339-N375 VanDerWaalsContact CD-O 3.27Å; K339-N375 WeakPolarHBondContact CD-O 2.96Å; K339-N375 PolarHBondContact NZ-O 2.94Å; K339-L376 HydrophobicContact CB-CD2 3.55Å; K339-L376 WeakPolarHBondContact O-CD2 3.28Å
340I89.4Confident81.5Confident0 Ų057.3 Ų57.30%029%0.294CS..EExtended strand (participates in β ladder)trans-113.2127-178.2-63.9-171.6000109.8F338 L344 R349 L353 I367 E368 I369 V370F338-I340 HydrophobicContact CD1-CD1 3.84Å; F338-I340 HydrophobicContact CD1-CG1 3.53Å; F338-I340 HydrophobicContact CE1-CD1 3.82Å; F338-I340 HydrophobicContact CE1-CG1 3.46Å; F338-I340 VanDerWaalsContact CE1-CG1 3.46Å; I340-L344 HydrophobicContact CG2-CD1 3.74Å; I340-R349 HydrophobicContact CG2-CG 4.28Å; I340-L353 HydrophobicContact CD1-CD1 4.31Å; I340-L353 HydrophobicContact CD1-CD2 3.51Å; I340-L353 HydrophobicContact CD1-CG 3.89Å; I340-I367 HydrophobicContact CD1-CG2 3.69Å; I340-I367 HydrophobicContact CG1-CG2 4.07Å; I340-E368 PolarHBondContact N-O 3.45Å; I340-I369 CarbonylContact O-C 3.57Å; I340-I369 VanDerWaalsContact O-CA 3.31Å; I340-I369 WeakPolarHBondContact O-CA 3.47Å; I340-V370 PolarHBondContact O-N 3.39Å
341P94.5Very high82.6Confident2 Ų256.8 Ų56.81%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-61.6136.4174.5-23.733.2000113.3F343 L344 V370 L373 L376 L384P341-F343 VanDerWaalsContact C-N 3.3Å; P341-F343 HydrophobicContact CB-CD1 3.44Å; P341-F343 VanDerWaalsContact CB-CD1 3.44Å; P341-F343 HydrophobicContact CB-CE1 3.2Å; P341-F343 HydrophobicContact CB-CG 4.38Å; P341-F343 HydrophobicContact CB-CZ 3.96Å; P341-F343 HydrophobicContact CG-CE1 3.92Å; P341-F343 HydrophobicContact CG-CZ 4.4Å; P341-F343 PolarHBondContact O-N 3.06Å; P341-L344 HydrophobicContact CB-CD1 4.36Å; P341-L344 HydrophobicContact CB-CG 4.27Å; P341-L344 HydrophobicContact CG-CD1 4.36Å; P341-L344 PolarHBondContact O-N 3.09Å; P341-V370 CarbonylContact C-O 3.59Å; P341-V370 WeakPolarHBondContact CA-O 3.35Å; P341-L373 HydrophobicContact CB-CD2 4.21Å; P341-L373 HydrophobicContact CG-CD2 3.83Å; P341-L376 HydrophobicContact CG-CD1 4.2Å; P341-L384 HydrophobicContact CG-CD1 3.98Å
342S94.7Very high83.9Confident38 Ų3852.5 Ų52.527%0.26626%0.262SS..THydrogen-bonded Turntrans-65.5-30.4-177.861.80000113.5L344 R349 V370 Y371S342-L344 PolarHBondContact O-N 3.22Å; S342-R349 PolarHBondContact O-NH2 3.3Å; S342-V370 PolarHBondContact N-O 3.27Å; S342-V370 PolarHBondContact OG-O 3.19Å; S342-Y371 WeakPolarHBondContact OG-CD1 3.25Å
343F95.4Very high85.1Confident30 Ų3053.4 Ų53.413%0.13227%0.267CS..THydrogen-bonded Turntrans-67-16.9-178.372.9-101.3000114.3L91 L94 Y95 Q98 P341 N345 L373L91-F343 HydrophobicContact CD1-CZ 3.94Å; L94-F343 HydrophobicContact CG-CE2 4.47Å; Y95-F343 VanDerWaalsContact CA-CE2 3.48Å; Y95-F343 HydrophobicContact CD2-CB 4.1Å; Y95-F343 AromaticContact CD2-CD1 3.55Å; Y95-F343 HydrophobicContact CD2-CD1 3.55Å; Y95-F343 AromaticContact CD2-CD2 3.94Å; Y95-F343 HydrophobicContact CD2-CD2 3.94Å; Y95-F343 AromaticContact CD2-CE1 3.81Å; Y95-F343 HydrophobicContact CD2-CE1 3.81Å; Y95-F343 HydrophobicContact CD2-CE2 4.22Å; Y95-F343 AromaticContact CD2-CG 3.61Å; Y95-F343 HydrophobicContact CD2-CG 3.61Å; Y95-F343 HydrophobicContact CD2-CZ 4.16Å; Y95-F343 HydrophobicContact CE2-CB 4.27Å; Y95-F343 HydrophobicContact CE2-CD1 4.17Å; Y95-F343 HydrophobicContact CE2-CG 4.23Å; Q98-F343 HydrophobicContact CG-CD2 4.11Å; P341-F343 VanDerWaalsContact C-N 3.3Å; P341-F343 HydrophobicContact CB-CD1 3.44Å; P341-F343 VanDerWaalsContact CB-CD1 3.44Å; P341-F343 HydrophobicContact CB-CE1 3.2Å; P341-F343 HydrophobicContact CB-CG 4.38Å; P341-F343 HydrophobicContact CB-CZ 3.96Å; P341-F343 HydrophobicContact CG-CE1 3.92Å; P341-F343 HydrophobicContact CG-CZ 4.4Å; P341-F343 PolarHBondContact O-N 3.06Å; F343-N345 PolarHBondContact O-N 2.79Å; F343-L373 HydrophobicContact CE1-CD2 3.86Å; F343-L373 HydrophobicContact CE1-CG 4.36Å
344L94.8Very high86.2Confident5 Ų551.3 Ų51.33%0.02627%0.267CS..SBendtrans-63.8130.5-180-61.7172.7000109.5L94 I340 P341 S342 T348 R349 I352L94-L344 HydrophobicContact CD2-CD2 3.58Å; L94-L344 HydrophobicContact CG-CD2 4.16Å; I340-L344 HydrophobicContact CG2-CD1 3.74Å; P341-L344 HydrophobicContact CB-CD1 4.36Å; P341-L344 HydrophobicContact CB-CG 4.27Å; P341-L344 HydrophobicContact CG-CD1 4.36Å; P341-L344 PolarHBondContact O-N 3.09Å; S342-L344 PolarHBondContact O-N 3.22Å; L344-T348 HydrophobicContact CB-CG2 4.31Å; L344-T348 HydrophobicContact CD2-CG2 3.78Å; L344-T348 HydrophobicContact CG-CG2 4.49Å; L344-R349 PolarHBondContact O-NH1 2.91Å; L344-R349 VanDerWaalsContact O-NH1 3.13Å; L344-R349 PolarHBondContact O-NH2 3.22Å; L344-I352 HydrophobicContact CD1-CD1 3.9Å
345N94.7Very high87.4Confident38 Ų3847.3 Ų47.320%0.20325%0.25CS..  trans-65.7168.3175.772.153.3000111Q98 V100 F343 C347 T348 R349Q98-N345 PolarHBondContact O-ND2 3.32Å; V100-N345 PolarHBondContact O-ND2 2.88Å; F343-N345 PolarHBondContact O-N 2.79Å; N345-C347 VanDerWaalsContact C-N 3.34Å; N345-C347 PolarHBondContact O-N 3.4Å; N345-C347 WeakPolarHBondContact OD1-CA 3.43Å; N345-C347 WeakPolarHBondContact OD1-CB 3.28Å; N345-C347 PolarHBondContact OD1-N 2.94Å; N345-T348 PolarHBondContact ND2-OG1 3.22Å; N345-T348 WeakPolarHBondContact OD1-CB 3.37Å; N345-T348 PolarHBondContact OD1-N 2.91Å; N345-T348 PolarHBondContact OD1-OG1 3.34Å; N345-T348 VanDerWaalsContact OD1-OG1 3.12Å; N345-R349 VanDerWaalsContact O-CB 3.32Å; N345-R349 WeakPolarHBondContact O-CB 3.5Å; N345-R349 PolarHBondContact O-N 2.96Å; N345-R349 PolarHBondContact O-NH1 3.13Å
346S94.8Very high88.6Confident84 Ų8439.7 Ų39.759%0.58722%0.217SC*.Hα-helixtrans-58.2-43.7-177.850.90000113.1R349 Q350S346-R349 PolarHBondContact O-N 2.86Å; S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.36Å; S346-Q350 PolarHBondContact O-N 3.1Å
347C96.2Very high88.7Confident45 Ų4539.7 Ų39.730%0.30422%0.219SC..Hα-helixtrans-62.9-55.2-179.1179.90000111.3C101 N345 R349 Q350 N351C101-C347 HydrophobicContact CB-CB 3.73Å; C101-C347 WeakPolarHBondContact CB-SG 3.31Å; C101-C347 VanDerWaalsContact SG-C 3.52Å; C101-C347 WeakPolarHBondContact SG-CB 3.18Å; C101-C347 CovalentContact SG-SG 2.02Å; C101-C347 PolarHBondContact SG-SG 3.05Å; N345-C347 VanDerWaalsContact C-N 3.34Å; N345-C347 PolarHBondContact O-N 3.4Å; N345-C347 WeakPolarHBondContact OD1-CA 3.43Å; N345-C347 WeakPolarHBondContact OD1-CB 3.28Å; N345-C347 PolarHBondContact OD1-N 2.94Å; C347-R349 VanDerWaalsContact C-N 3.31Å; C347-R349 PolarHBondContact O-N 3.42Å; C347-Q350 WeakPolarHBondContact O-CB 3.43Å; C347-Q350 PolarHBondContact O-N 3.41Å; C347-Q350 VanDerWaalsContact O-N 3.07Å; C347-N351 PolarHBondContact O-N 3.42Å
348T94.8Very high88Confident1 Ų138 Ų381%0.00621%0.208CC..Hα-helixtrans-56.5-42.9176.8-60.40000112.2L94 V100 C101 L344 N345 Q350 N351 I352 E391L94-T348 HydrophobicContact CD2-CG2 3.84Å; V100-T348 PolarHBondContact O-OG1 2.88Å; C101-T348 PolarHBondContact SG-N 3.22Å; L344-T348 HydrophobicContact CB-CG2 4.31Å; L344-T348 HydrophobicContact CD2-CG2 3.78Å; L344-T348 HydrophobicContact CG-CG2 4.49Å; N345-T348 PolarHBondContact ND2-OG1 3.22Å; N345-T348 WeakPolarHBondContact OD1-CB 3.37Å; N345-T348 PolarHBondContact OD1-N 2.91Å; N345-T348 PolarHBondContact OD1-OG1 3.34Å; N345-T348 VanDerWaalsContact OD1-OG1 3.12Å; T348-Q350 PolarHBondContact O-N 2.95Å; T348-N351 PolarHBondContact O-N 3.01Å; T348-I352 HydrophobicContact CG2-CD1 3.95Å; T348-I352 WeakPolarHBondContact O-CB 3.42Å; T348-I352 WeakPolarHBondContact O-CG1 3.32Å; T348-I352 PolarHBondContact O-N 3.16Å; T348-E391 HydrophobicContact CG2-CB 4.38Å; T348-E391 HydrophobicContact CG2-CG 3.99Å
349R92.8Very high86.5Confident62 Ų6244.4 Ų44.423%0.23424%0.242CC..Hα-helixtrans-61.3-44.3176.5-176.3-175.4-64.190.70.2111.5I340 S342 L344 N345 S346 C347 L353I340-R349 HydrophobicContact CG2-CG 4.28Å; S342-R349 PolarHBondContact O-NH2 3.3Å; L344-R349 PolarHBondContact O-NH1 2.91Å; L344-R349 VanDerWaalsContact O-NH1 3.13Å; L344-R349 PolarHBondContact O-NH2 3.22Å; N345-R349 VanDerWaalsContact O-CB 3.32Å; N345-R349 WeakPolarHBondContact O-CB 3.5Å; N345-R349 PolarHBondContact O-N 2.96Å; N345-R349 PolarHBondContact O-NH1 3.13Å; S346-R349 PolarHBondContact O-N 2.86Å; C347-R349 VanDerWaalsContact C-N 3.31Å; C347-R349 PolarHBondContact O-N 3.42Å; R349-L353 HydrophobicContact CG-CD1 4.04Å; R349-L353 WeakPolarHBondContact O-CB 3.41Å; R349-L353 WeakPolarHBondContact O-CG 3.37Å; R349-L353 PolarHBondContact O-N 3.39Å
350Q91.9Very high84.9Confident134 Ų13446 Ų4663%0.62625%0.253SS*.Hα-helixtrans-64.3-42.2177.6-74.1173.5-14.900111.9S346 C347 T348 L353 S354S346-Q350 VanDerWaalsContact O-CG 3.32Å; S346-Q350 WeakPolarHBondContact O-CG 3.36Å; S346-Q350 PolarHBondContact O-N 3.1Å; C347-Q350 WeakPolarHBondContact O-CB 3.43Å; C347-Q350 PolarHBondContact O-N 3.41Å; C347-Q350 VanDerWaalsContact O-N 3.07Å; T348-Q350 PolarHBondContact O-N 2.95Å; Q350-L353 PolarHBondContact O-N 3Å; Q350-S354 WeakPolarHBondContact O-CB 3.42Å; Q350-S354 PolarHBondContact O-N 2.63Å
351N91.8Very high83.2Confident25 Ų2555.2 Ų55.213%0.13430%0.296CS..Hα-helixtrans-66.2-40.9178.6-68.5-13.2000113.1C101 E102 C347 T348 S354 Q355 E391C101-N351 PolarHBondContact SG-ND2 3.08Å; E102-N351 WeakPolarHBondContact CG-ND2 3.43Å; C347-N351 PolarHBondContact O-N 3.42Å; T348-N351 PolarHBondContact O-N 3.01Å; N351-S354 PolarHBondContact O-N 3.03Å; N351-S354 PolarHBondContact O-OG 2.93Å; N351-Q355 WeakPolarHBondContact O-CG 3.41Å; N351-Q355 PolarHBondContact O-N 3.29Å; N351-Q355 PolarHBondContact O-NE2 3.45Å; N351-E391 WeakPolarHBondContact CB-OE1 3.29Å; N351-E391 PolarHBondContact ND2-OE2 3.17Å
352I89.1Confident81.3Confident0 Ų061.8 Ų61.80%033%0.331CS..Hα-helixtrans-62.9-46.6174.6-75173.3000110F338 L344 T348 S354 Q355 I356 L384 L387F338-I352 HydrophobicContact CE1-CG2 4.15Å; F338-I352 HydrophobicContact CZ-CG2 4.4Å; L344-I352 HydrophobicContact CD1-CD1 3.9Å; T348-I352 HydrophobicContact CG2-CD1 3.95Å; T348-I352 WeakPolarHBondContact O-CB 3.42Å; T348-I352 WeakPolarHBondContact O-CG1 3.32Å; T348-I352 PolarHBondContact O-N 3.16Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 PolarHBondContact O-N 3.15Å; I352-Q355 PolarHBondContact O-N 3.28Å; I352-I356 HydrophobicContact CG2-CD1 4.11Å; I352-I356 WeakPolarHBondContact O-CG1 3.41Å; I352-I356 PolarHBondContact O-N 3.1Å; I352-L384 HydrophobicContact CD1-CD2 4.3Å; I352-L384 HydrophobicContact CG2-CD2 4.2Å; I352-L387 HydrophobicContact CG1-CB 4.17Å; I352-L387 HydrophobicContact CG2-CD1 3.95Å
353L86.8Confident79.4Confident39 Ų3961.5 Ų61.520%0.20433%0.326CS..Hα-helixtrans-64.2-33.8179.5-74.5172.8000113I340 R349 Q350 L358 I367I340-L353 HydrophobicContact CD1-CD1 4.31Å; I340-L353 HydrophobicContact CD1-CD2 3.51Å; I340-L353 HydrophobicContact CD1-CG 3.89Å; R349-L353 HydrophobicContact CG-CD1 4.04Å; R349-L353 WeakPolarHBondContact O-CB 3.41Å; R349-L353 WeakPolarHBondContact O-CG 3.37Å; R349-L353 PolarHBondContact O-N 3.39Å; Q350-L353 PolarHBondContact O-N 3Å; L353-L358 HydrophobicContact CD2-CD1 3.81Å; L353-I367 HydrophobicContact CD1-CD1 4.32Å; L353-I367 HydrophobicContact CD2-CD1 3.52Å; L353-I367 HydrophobicContact CD2-CG1 4.16Å
354S85.1Confident77.9Confident89 Ų8966.6 Ų66.662%0.62236%0.355SS*.Hα-helixtrans-74.5-27.2178.974.30000113.4Q350 N351 I352Q350-S354 WeakPolarHBondContact O-CB 3.42Å; Q350-S354 PolarHBondContact O-N 2.63Å; N351-S354 PolarHBondContact O-N 3.03Å; N351-S354 PolarHBondContact O-OG 2.93Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 PolarHBondContact O-N 3.15Å
355Q81.1Confident76.6Confident59 Ų5970.6 Ų70.628%0.27637%0.37SS..Hα-helixtrans-77.2-26.4176.5-73.4176.757.900112.8N351 I352 L387N351-Q355 WeakPolarHBondContact O-CG 3.41Å; N351-Q355 PolarHBondContact O-N 3.29Å; N351-Q355 PolarHBondContact O-NE2 3.45Å; I352-Q355 PolarHBondContact O-N 3.28Å; Q355-L387 HydrophobicContact CB-CD2 4.06Å
356I78.3Confident75.7Confident2 Ų271.7 Ų71.71%0.0138%0.381CS..BIsolated β-bridgetrans-81121.5172.9-61.9169.5000107L332 F338 I352 L358 L387L332-I356 HydrophobicContact CD1-CG2 3.35Å; L332-I356 HydrophobicContact CG-CG2 3.86Å; F338-I356 HydrophobicContact CD1-CD1 3.75Å; F338-I356 HydrophobicContact CD2-CD1 4.29Å; F338-I356 HydrophobicContact CE1-CD1 3.24Å; F338-I356 HydrophobicContact CE2-CD1 3.88Å; F338-I356 HydrophobicContact CG-CD1 4.24Å; F338-I356 HydrophobicContact CZ-CD1 3.33Å; I352-I356 HydrophobicContact CG2-CD1 4.11Å; I352-I356 WeakPolarHBondContact O-CG1 3.41Å; I352-I356 PolarHBondContact O-N 3.1Å; I356-L358 VanDerWaalsContact C-N 3.25Å; I356-L358 HydrophobicContact CB-CD2 4.43Å; I356-L358 HydrophobicContact CB-CG 4.28Å; I356-L358 HydrophobicContact CG2-CD2 3.53Å; I356-L358 HydrophobicContact CG2-CG 3.88Å; I356-L358 PolarHBondContact O-N 3.21Å; I356-L387 HydrophobicContact CD1-CD1 4.3Å; I356-L387 HydrophobicContact CG1-CD1 4.28Å
357N68.6Low75.1Confident70 Ų7071.5 Ų71.537%0.37437%0.372SS..  trans-72.983.3-179.5-172.522.5000110.9I330I330-N357 PolarHBondContact O-N 3.5Å
358L61Low74.8Confident22 Ų2273 Ų7312%0.11538%0.375CS..  trans-82.8-18.7-179.4-69.2-175.7000112.8L332 L353 I356 N360 Y365 I367L332-L358 HydrophobicContact CD1-CD2 4.23Å; L353-L358 HydrophobicContact CD2-CD1 3.81Å; I356-L358 VanDerWaalsContact C-N 3.25Å; I356-L358 HydrophobicContact CB-CD2 4.43Å; I356-L358 HydrophobicContact CB-CG 4.28Å; I356-L358 HydrophobicContact CG2-CD2 3.53Å; I356-L358 HydrophobicContact CG2-CG 3.88Å; I356-L358 PolarHBondContact O-N 3.21Å; L358-N360 PolarHBondContact O-N 3.36Å; L358-Y365 HydrophobicContact CB-CE1 3.77Å; L358-Y365 HydrophobicContact CB-CE2 4.18Å; L358-Y365 WeakPolarHBondContact CB-OH 3.11Å; L358-Y365 HydrophobicContact CD1-CD2 4.46Å; L358-Y365 HydrophobicContact CD1-CE2 3.7Å; L358-Y365 HydrophobicContact CD2-CD1 3.89Å; L358-Y365 HydrophobicContact CD2-CD2 3.62Å; L358-Y365 HydrophobicContact CD2-CE1 3.84Å; L358-Y365 HydrophobicContact CD2-CE2 3.56Å; L358-Y365 HydrophobicContact CD2-CG 3.81Å; L358-Y365 HydrophobicContact CG-CE1 4.29Å; L358-Y365 HydrophobicContact CG-CE2 3.99Å; L358-Y365 WeakPolarHBondContact O-CE1 3.32Å; L358-I367 HydrophobicContact CD1-CD1 4.38Å
359N53.3Low74.6Confident139 Ų13977.2 Ų77.274%0.74340%0.397SS*.  trans-79.615.8-171.1-74.7-1.5000115.9H361N359-H361 PolarHBondContact O-N 3.12Å; N359-H361 VanDerWaalsContact O-N 3.07Å
360N54.2Low74.6Confident81 Ų8174.4 Ų74.443%0.43339%0.387SS..  trans-75.898.8165.1-84.4-8.5000108.2L358 N362 N363L358-N360 PolarHBondContact O-N 3.36Å; N360-N362 PolarHBondContact O-N 2.97Å; N360-N363 PolarHBondContact O-N 3.19Å
361H53.3Low74.6Confident194 Ų19477.6 Ų77.690%0.89839%0.394SS*.THydrogen-bonded Turntrans-45.2-15.9177.3-96.6-77.3000115.8N359N359-H361 PolarHBondContact O-N 3.12Å; N359-H361 VanDerWaalsContact O-N 3.07Å
362N54.8Low74.5Confident141 Ų14180.4 Ų80.475%0.75441%0.409SS*.THydrogen-bonded Turntrans-100.95.4179.9-72-9.2000115N360N360-N362 PolarHBondContact O-N 2.97Å
363N55.5Low74.5Confident31 Ų3182.1 Ų82.117%0.16642%0.418CS..  trans-108.5107.3176.5-72.51.5000110.2K334 N360 Y365K334-N363 WeakPolarHBondContact CE-OD1 3.46Å; K334-N363 VanDerWaalsContact CG-OD1 3.23Å; K334-N363 WeakPolarHBondContact CG-OD1 3.31Å; N360-N363 PolarHBondContact O-N 3.19Å; N363-Y365 WeakPolarHBondContact O-CD1 3.2Å; N363-Y365 PolarHBondContact O-N 2.96Å
364N63Low74.6Confident137 Ų13785.4 Ų85.473%0.73344%0.44SS*.  trans-70.694163.9-73.4-8000108.4
365Y67.5Low74.9Confident89 Ų8985.3 Ų85.335%0.34943%0.432SS..  trans-103.1149.6165.364.1-88.3000109.2L358 N363 I367L358-Y365 HydrophobicContact CB-CE1 3.77Å; L358-Y365 HydrophobicContact CB-CE2 4.18Å; L358-Y365 WeakPolarHBondContact CB-OH 3.11Å; L358-Y365 HydrophobicContact CD1-CD2 4.46Å; L358-Y365 HydrophobicContact CD1-CE2 3.7Å; L358-Y365 HydrophobicContact CD2-CD1 3.89Å; L358-Y365 HydrophobicContact CD2-CD2 3.62Å; L358-Y365 HydrophobicContact CD2-CE1 3.84Å; L358-Y365 HydrophobicContact CD2-CE2 3.56Å; L358-Y365 HydrophobicContact CD2-CG 3.81Å; L358-Y365 HydrophobicContact CG-CE1 4.29Å; L358-Y365 HydrophobicContact CG-CE2 3.99Å; L358-Y365 WeakPolarHBondContact O-CE1 3.32Å; N363-Y365 WeakPolarHBondContact O-CD1 3.2Å; N363-Y365 PolarHBondContact O-N 2.96Å; Y365-I367 HydrophobicContact CD2-CG1 4.29Å; Y365-I367 HydrophobicContact CE2-CD1 4.2Å; Y365-I367 HydrophobicContact CE2-CG1 4.25Å
366S75.8Confident75.2Confident62 Ų6283.4 Ų83.443%0.43442%0.424SS..  trans-115.3141.6169.5520000109.3T337 F338T337-S366 CarbonylContact C-O 3.51Å; T337-S366 WeakPolarHBondContact CA-O 3.42Å; T337-S366 WeakPolarHBondContact CG2-OG 3.32Å; T337-S366 PolarHBondContact OG1-OG 3.28Å; T337-S366 VanDerWaalsContact OG1-OG 3.1Å; F338-S366 PolarHBondContact N-O 2.93Å
367I82.7Confident75.7Confident79 Ų7986 Ų8641%0.40544%0.442SS..EExtended strand (participates in β ladder)trans-98.2122.5171.8-63.8162.5000106.9F338 I340 L353 L358 Y365F338-I367 WeakPolarHBondContact O-CA 3.48Å; I340-I367 HydrophobicContact CD1-CG2 3.69Å; I340-I367 HydrophobicContact CG1-CG2 4.07Å; L353-I367 HydrophobicContact CD1-CD1 4.32Å; L353-I367 HydrophobicContact CD2-CD1 3.52Å; L353-I367 HydrophobicContact CD2-CG1 4.16Å; L358-I367 HydrophobicContact CD1-CD1 4.38Å; Y365-I367 HydrophobicContact CD2-CG1 4.29Å; Y365-I367 HydrophobicContact CE2-CD1 4.2Å; Y365-I367 HydrophobicContact CE2-CG1 4.25Å
368E88.7Confident76.7Confident76 Ų7690.5 Ų90.536%0.35546%0.459SS..EExtended strand (participates in β ladder)trans-113.1127.6176.4180-168.9142.500108.9T337 F338 K339 I340T337-E368 HydrophobicContact CG2-CB 3.59Å; F338-E368 PolarHBondContact O-N 3.46Å; K339-E368 CarbonylContact C-O 3.46Å; K339-E368 VanDerWaalsContact CA-O 3.28Å; K339-E368 WeakPolarHBondContact CA-O 3.48Å; K339-E368 WeakPolarHBondContact CE-OE1 3.35Å; K339-E368 VanDerWaalsContact CE-OE2 3.24Å; K339-E368 WeakPolarHBondContact CE-OE2 3.26Å; K339-E368 HydrophobicContact CG-CB 4.21Å; K339-E368 IonicContact NZ-OE1 3.67Å; K339-E368 PolarHBondContact NZ-OE1 3.3Å; K339-E368 VanDerWaalsContact NZ-OE1 3.08Å; K339-E368 IonicContact NZ-OE2 3.98Å; I340-E368 PolarHBondContact N-O 3.45Å
369I90.6Very high77.8Confident90 Ų9093.8 Ų93.846%0.46247%0.47SS..EExtended strand (participates in β ladder)trans-84.4126.4174.1-64.1173.2000108.9I340I340-I369 CarbonylContact O-C 3.57Å; I340-I369 VanDerWaalsContact O-CA 3.31Å; I340-I369 WeakPolarHBondContact O-CA 3.47Å
370V92.9Very high79.4Confident4 Ų487.6 Ų87.62%0.02444%0.437CS..EExtended strand (participates in β ladder)trans-111.4139.7176.4-63.90000111.9K339 I340 P341 S342 N375 L376K339-V370 HydrophobicContact CB-CG1 3.93Å; K339-V370 HydrophobicContact CB-CG2 4.42Å; K339-V370 HydrophobicContact CD-CG1 3.86Å; K339-V370 HydrophobicContact CG-CG1 4.04Å; I340-V370 PolarHBondContact O-N 3.39Å; P341-V370 CarbonylContact C-O 3.59Å; P341-V370 WeakPolarHBondContact CA-O 3.35Å; S342-V370 PolarHBondContact N-O 3.27Å; S342-V370 PolarHBondContact OG-O 3.19Å; V370-N375 HydrophobicContact CB-CB 4.41Å; V370-N375 HydrophobicContact CG1-CB 4.22Å; V370-L376 HydrophobicContact CG2-CD2 3.68Å; V370-L376 HydrophobicContact CG2-CG 4.22Å
371Y92.5Very high81.1Confident200 Ų20086.7 Ų86.778%0.78443%0.428SS*.SBendtrans-92.9-21.6179.4-66-89.5000113.5S342S342-Y371 WeakPolarHBondContact OG-CD1 3.25Å
372N90.2Very high82.9Confident84 Ų8482.4 Ų82.445%0.44941%0.408SS..SBendtrans-120.2131.9176.8-166.7-18.6000110.1T374 N375N372-T374 PolarHBondContact ND2-OG1 3.16Å; N372-T374 VanDerWaalsContact ND2-OG1 3.16Å; N372-T374 PolarHBondContact O-N 3.42Å; N372-T374 WeakPolarHBondContact OD1-CG2 3.33Å; N372-T374 PolarHBondContact OD1-N 3.13Å; N372-T374 VanDerWaalsContact OD1-N 3.08Å; N372-T374 PolarHBondContact OD1-OG1 3.15Å; N372-N375 WeakPolarHBondContact O-CB 2.97Å; N372-N375 PolarHBondContact O-N 2.02Å; N372-N375 VanDerWaalsContact O-N 3.12Å
373L88.5Confident84.5Confident37 Ų3776.3 Ų76.319%0.19438%0.376CS..G310 helixtrans-60.3-26.6176.1-71.9178.8000112.5L91 P341 F343 N375 L376L91-L373 HydrophobicContact CD2-CD2 3.89Å; L91-L373 HydrophobicContact CG-CD2 4.3Å; P341-L373 HydrophobicContact CB-CD2 4.21Å; P341-L373 HydrophobicContact CG-CD2 3.83Å; F343-L373 HydrophobicContact CE1-CD2 3.86Å; F343-L373 HydrophobicContact CE1-CG 4.36Å; L373-N375 PolarHBondContact O-N 3.12Å; L373-N375 VanDerWaalsContact O-N 3.16Å; L373-L376 HydrophobicContact CD2-CD1 3.63Å; L373-L376 WeakPolarHBondContact O-CB 3.5Å; L373-L376 WeakPolarHBondContact O-CG 3.3Å; L373-L376 PolarHBondContact O-N 3.36Å; L373-L376 VanDerWaalsContact O-N 3.13Å
374T89.5Confident86.3Confident107 Ų10774.9 Ų74.966%0.65637%0.368SS*.G310 helixtrans-62.7-19.217660.70000113.6N372 L376N372-T374 PolarHBondContact ND2-OG1 3.16Å; N372-T374 VanDerWaalsContact ND2-OG1 3.16Å; N372-T374 PolarHBondContact O-N 3.42Å; N372-T374 WeakPolarHBondContact OD1-CG2 3.33Å; N372-T374 PolarHBondContact OD1-N 3.13Å; N372-T374 VanDerWaalsContact OD1-N 3.08Å; N372-T374 PolarHBondContact OD1-OG1 3.15Å; T374-L376 VanDerWaalsContact C-N 3.27Å
375N90.4Very high87.7Confident87 Ų8769.5 Ų69.547%0.46534%0.339SS..G310 helixtrans-85.3-1.8180-64.8-3.8000112.9K339 V370 N372 L373K339-N375 VanDerWaalsContact CD-O 3.27Å; K339-N375 WeakPolarHBondContact CD-O 2.96Å; K339-N375 PolarHBondContact NZ-O 2.94Å; V370-N375 HydrophobicContact CB-CB 4.41Å; V370-N375 HydrophobicContact CG1-CB 4.22Å; N372-N375 WeakPolarHBondContact O-CB 2.97Å; N372-N375 PolarHBondContact O-N 2.02Å; N372-N375 VanDerWaalsContact O-N 3.12Å; L373-N375 PolarHBondContact O-N 3.12Å; L373-N375 VanDerWaalsContact O-N 3.16Å
376L89.1Confident88.8Confident19 Ų1968.6 Ų68.610%0.09934%0.341CS..SBendtrans-80.3137.2173.5-62.7174.8000110L91 K339 P341 V370 L373 T374 N380 Y381 L384L91-L376 HydrophobicContact CD2-CD1 4.2Å; K339-L376 HydrophobicContact CB-CD2 3.55Å; K339-L376 WeakPolarHBondContact O-CD2 3.28Å; P341-L376 HydrophobicContact CG-CD1 4.2Å; V370-L376 HydrophobicContact CG2-CD2 3.68Å; V370-L376 HydrophobicContact CG2-CG 4.22Å; L373-L376 HydrophobicContact CD2-CD1 3.63Å; L373-L376 WeakPolarHBondContact O-CB 3.5Å; L373-L376 WeakPolarHBondContact O-CG 3.3Å; L373-L376 PolarHBondContact O-N 3.36Å; L373-L376 VanDerWaalsContact O-N 3.13Å; T374-L376 VanDerWaalsContact C-N 3.27Å; L376-N380 HydrophobicContact CD2-CB 4.38Å; L376-Y381 HydrophobicContact CD1-CD2 4.08Å; L376-L384 HydrophobicContact CD1-CD1 3.79Å; L376-L384 HydrophobicContact CD2-CD1 3.99Å
377S87.8Confident89.6Confident56 Ų5666 Ų6639%0.39232%0.322SS..  trans-63.9154.2164.567.40000109.7Y379 N380 Y381S377-Y379 PolarHBondContact O-N 2.95Å; S377-N380 PolarHBondContact O-N 3.33Å; S377-N380 VanDerWaalsContact O-N 3.08Å; S377-N380 WeakPolarHBondContact OG-CB 3.18Å; S377-N380 VanDerWaalsContact OG-CG 3.28Å; S377-N380 PolarHBondContact OG-N 3.5Å; S377-Y381 PolarHBondContact O-N 3.35Å
378K89.1Confident90.1Very high166 Ų16662.2 Ų62.272%0.72230%0.302SS*.Hα-helixtrans-51.5-43.2175.4-178.2176.7174.3179.70112.2Y381 E382K378-Y381 PolarHBondContact O-N 3.31Å; K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 IonicContact NZ-OE1 2.71Å; K378-E382 WeakPolarHBondContact O-CG 3.43Å; K378-E382 PolarHBondContact O-N 3.16Å
379Y84.5Confident90.4Very high91 Ų9160.4 Ų60.436%0.35729%0.292SS..Hα-helixtrans-61-48.9176.2175.7-98.8000112.7L332 S377 Y381 E382 L383L332-Y379 HydrophobicContact CD2-CE1 4.08Å; S377-Y379 PolarHBondContact O-N 2.95Å; Y379-Y381 VanDerWaalsContact C-N 3.27Å; Y379-Y381 PolarHBondContact O-N 2.66Å; Y379-E382 PolarHBondContact O-N 3.01Å; Y379-L383 HydrophobicContact CE1-CD2 4.11Å; Y379-L383 VanDerWaalsContact O-CB 3.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.33Å; Y379-L383 PolarHBondContact O-N 3.39Å
380N86.2Confident90.5Very high9 Ų957.9 Ų57.95%0.04828%0.28CS..Hα-helixtrans-63.3-37.5178.7-73.7-6.2000111.1L376 S377 L384L376-N380 HydrophobicContact CD2-CB 4.38Å; S377-N380 PolarHBondContact O-N 3.33Å; S377-N380 VanDerWaalsContact O-N 3.08Å; S377-N380 WeakPolarHBondContact OG-CB 3.18Å; S377-N380 VanDerWaalsContact OG-CG 3.28Å; S377-N380 PolarHBondContact OG-N 3.5Å; N380-L384 VanDerWaalsContact O-CB 3.24Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 WeakPolarHBondContact O-CD1 3.1Å; N380-L384 WeakPolarHBondContact O-CG 3.17Å; N380-L384 PolarHBondContact O-N 3.35Å
381Y91.5Very high90.6Very high62 Ų6257.9 Ų57.924%0.24328%0.279CS..Hα-helixtrans-63.6-50176.8-172.8-83.1000111.9D89 L91 N92 L376 S377 K378 Y379 L383 L384 N385D89-Y381 PolarHBondContact OD1-OH 3.34Å; D89-Y381 PolarHBondContact OD2-OH 2.71Å; L91-Y381 HydrophobicContact CD2-CD2 3.76Å; L91-Y381 HydrophobicContact CD2-CE2 3.68Å; L91-Y381 HydrophobicContact CD2-CG 4.36Å; N92-Y381 PolarHBondContact ND2-OH 3.3Å; L376-Y381 HydrophobicContact CD1-CD2 4.08Å; S377-Y381 PolarHBondContact O-N 3.35Å; K378-Y381 PolarHBondContact O-N 3.31Å; Y379-Y381 VanDerWaalsContact C-N 3.27Å; Y379-Y381 PolarHBondContact O-N 2.66Å; Y381-L383 PolarHBondContact O-N 3.37Å; Y381-L384 PolarHBondContact O-N 3.3Å; Y381-N385 VanDerWaalsContact O-CB 3.28Å; Y381-N385 WeakPolarHBondContact O-CB 3.02Å; Y381-N385 PolarHBondContact O-N 2.61Å
382E90.4Very high90.9Very high103 Ų10348.3 Ų48.348%0.48124%0.242SC..Hα-helixtrans-60.6-45178-74.2173.4-176.700111.6K378 Y379 N385 D386K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 IonicContact NZ-OE1 2.71Å; K378-E382 WeakPolarHBondContact O-CG 3.43Å; K378-E382 PolarHBondContact O-N 3.16Å; Y379-E382 PolarHBondContact O-N 3.01Å; E382-N385 PolarHBondContact O-N 3.01Å; E382-D386 PolarHBondContact O-N 2.84Å
383L88.8Confident91.2Very high14 Ų1444.4 Ų44.47%0.07322%0.221CC..Hα-helixtrans-60.2-49.7176174.255.4000112I330 L332 F338 Y379 Y381 N385 D386 L387I330-L383 HydrophobicContact CD1-CD1 3.19Å; I330-L383 HydrophobicContact CG1-CD1 4.36Å; I330-L383 HydrophobicContact CG2-CD1 4.08Å; I330-L383 HydrophobicContact CG2-CD2 4.47Å; L332-L383 HydrophobicContact CD2-CD2 4.1Å; F338-L383 HydrophobicContact CD2-CD2 4.44Å; F338-L383 HydrophobicContact CE2-CD2 3.72Å; F338-L383 HydrophobicContact CE2-CG 4.34Å; F338-L383 HydrophobicContact CZ-CD2 4.47Å; Y379-L383 HydrophobicContact CE1-CD2 4.11Å; Y379-L383 VanDerWaalsContact O-CB 3.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.33Å; Y379-L383 PolarHBondContact O-N 3.39Å; Y381-L383 PolarHBondContact O-N 3.37Å; L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 2.88Å; L383-D386 WeakPolarHBondContact O-CB 3.37Å; L383-D386 PolarHBondContact O-N 3.36Å; L383-L387 HydrophobicContact CD1-CD1 3.93Å; L383-L387 HydrophobicContact CD1-CG 4.19Å; L383-L387 HydrophobicContact CG-CD1 4.13Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.29Å; L383-L387 PolarHBondContact O-N 3.21Å
384L92.3Very high91.6Very high0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-62.8-41.5178.2-77.6167000111.5L91 F338 P341 I352 L376 N380 Y381 D386 L387 S388L91-L384 HydrophobicContact CD1-CB 4.17Å; L91-L384 HydrophobicContact CD2-CB 4.04Å; F338-L384 HydrophobicContact CE1-CD2 4.35Å; F338-L384 HydrophobicContact CZ-CD2 3.75Å; F338-L384 HydrophobicContact CZ-CG 4.07Å; P341-L384 HydrophobicContact CG-CD1 3.98Å; I352-L384 HydrophobicContact CD1-CD2 4.3Å; I352-L384 HydrophobicContact CG2-CD2 4.2Å; L376-L384 HydrophobicContact CD1-CD1 3.79Å; L376-L384 HydrophobicContact CD2-CD1 3.99Å; N380-L384 VanDerWaalsContact O-CB 3.24Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 WeakPolarHBondContact O-CD1 3.1Å; N380-L384 WeakPolarHBondContact O-CG 3.17Å; N380-L384 PolarHBondContact O-N 3.35Å; Y381-L384 PolarHBondContact O-N 3.3Å; L384-D386 VanDerWaalsContact C-N 3.31Å; L384-D386 PolarHBondContact O-N 2.9Å; L384-L387 PolarHBondContact O-N 3.08Å; L384-S388 WeakPolarHBondContact O-CB 3.46Å; L384-S388 PolarHBondContact O-N 3.25Å; L384-S388 PolarHBondContact O-OG 2.77Å
385N94Very high91.9Very high25 Ų2540.6 Ų40.613%0.13420%0.195CC..Hα-helixtrans-58.8-43.2175.4174.170.6000112D89 F90 L91 Y381 E382 L383 L387 S388 R389D89-N385 WeakPolarHBondContact CB-OD1 3.43Å; F90-N385 WeakPolarHBondContact CA-OD1 3.2Å; F90-N385 WeakPolarHBondContact CB-O 3.42Å; F90-N385 WeakPolarHBondContact CB-OD1 3.24Å; F90-N385 PolarHBondContact N-OD1 3.49Å; L91-N385 HydrophobicContact CB-CB 4.15Å; L91-N385 PolarHBondContact N-OD1 2.89Å; Y381-N385 VanDerWaalsContact O-CB 3.28Å; Y381-N385 WeakPolarHBondContact O-CB 3.02Å; Y381-N385 PolarHBondContact O-N 2.61Å; E382-N385 PolarHBondContact O-N 3.01Å; L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 2.88Å; N385-L387 PolarHBondContact O-N 3.07Å; N385-S388 PolarHBondContact O-N 3.12Å; N385-R389 PolarHBondContact O-N 2.02Å
386D90.6Very high92.1Very high70 Ų7036.7 Ų36.737%0.37417%0.174SC..Hα-helixtrans-62.8-40.1175.5-106.934.6000112.7K328 E382 L383 L384 R389K328-D386 IonicContact NZ-OD2 3.63Å; K328-D386 PolarHBondContact NZ-OD2 3.17Å; E382-D386 PolarHBondContact O-N 2.84Å; L383-D386 WeakPolarHBondContact O-CB 3.37Å; L383-D386 PolarHBondContact O-N 3.36Å; L384-D386 VanDerWaalsContact C-N 3.31Å; L384-D386 PolarHBondContact O-N 2.9Å; D386-R389 WeakPolarHBondContact O-CB 3Å
387L91.2Very high92.4Very high7 Ų737.7 Ų37.74%0.03718%0.179CC..Hα-helixtrans-73-38.8178-65.3172.6000111.7I330 I352 Q355 I356 L383 L384 N385 R389 N390I330-L387 HydrophobicContact CD1-CD2 4.41Å; I352-L387 HydrophobicContact CG1-CB 4.17Å; I352-L387 HydrophobicContact CG2-CD1 3.95Å; Q355-L387 HydrophobicContact CB-CD2 4.06Å; I356-L387 HydrophobicContact CD1-CD1 4.3Å; I356-L387 HydrophobicContact CG1-CD1 4.28Å; L383-L387 HydrophobicContact CD1-CD1 3.93Å; L383-L387 HydrophobicContact CD1-CG 4.19Å; L383-L387 HydrophobicContact CG-CD1 4.13Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.29Å; L383-L387 PolarHBondContact O-N 3.21Å; L384-L387 PolarHBondContact O-N 3.08Å; N385-L387 PolarHBondContact O-N 3.07Å; L387-R389 PolarHBondContact O-N 2.98Å; L387-N390 PolarHBondContact O-N 3.13Å
388S94.6Very high92.7Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-58.4-31.2176.3-66.10000112.6L91 L94 L384 N385 N390 E391 L392L91-S388 WeakPolarHBondContact CD1-OG 3.33Å; L94-S388 VanDerWaalsContact CD2-OG 3.31Å; L94-S388 WeakPolarHBondContact CD2-OG 3.45Å; L384-S388 WeakPolarHBondContact O-CB 3.46Å; L384-S388 PolarHBondContact O-N 3.25Å; L384-S388 PolarHBondContact O-OG 2.77Å; N385-S388 PolarHBondContact O-N 3.12Å; S388-N390 VanDerWaalsContact C-N 3.25Å; S388-N390 PolarHBondContact O-N 3.16Å; S388-E391 PolarHBondContact O-N 2.04Å; S388-E391 VanDerWaalsContact O-N 3.09Å; S388-L392 PolarHBondContact O-N 3.06Å
389R94.4Very high92.9Very high38 Ų3828.6 Ų28.614%0.14313%0.134CC..Hα-helixtrans-54.7-41.7174.3-173-176.8180-78.54112.3F90 N385 D386 L387 E391 F393 H395F90-R389 HydrophobicContact CB-CB 4.4Å; F90-R389 HydrophobicContact CD1-CB 4.36Å; F90-R389 HydrophobicContact CD1-CG 4.32Å; F90-R389 HydrophobicContact CD2-CB 3.78Å; F90-R389 HydrophobicContact CD2-CG 3.97Å; F90-R389 HydrophobicContact CE1-CG 4.12Å; F90-R389 HydrophobicContact CE2-CB 4.08Å; F90-R389 HydrophobicContact CE2-CG 3.73Å; F90-R389 HydrophobicContact CG-CB 3.93Å; F90-R389 HydrophobicContact CG-CG 4.26Å; F90-R389 HydrophobicContact CZ-CG 3.82Å; N385-R389 PolarHBondContact O-N 2.02Å; D386-R389 WeakPolarHBondContact O-CB 3Å; L387-R389 PolarHBondContact O-N 2.98Å; R389-E391 VanDerWaalsContact C-N 3.27Å; R389-E391 PolarHBondContact O-N 2.89Å; R389-F393 HydrophobicContact CG-CE1 3.94Å; R389-F393 HydrophobicContact CG-CE2 4.35Å; R389-F393 HydrophobicContact CG-CZ 3.49Å; R389-F393 VanDerWaalsContact CG-CZ 3.49Å; R389-H395 PolarHBondContact NH1-CE1 3.06Å; R389-H395 VanDerWaalsContact NH1-CG 3.33Å; R389-H395 PolarHBondContact NH1-ND1 3.28Å; R389-H395 VanDerWaalsContact NH1-ND1 3.1Å; R389-H395 PolarHBondContact NH2-CE1 3.01Å; R389-H395 VanDerWaalsContact NH2-CE1 3.35Å; R389-H395 PolarHBondContact NH2-NE2 3.01Å; R389-H395 VanDerWaalsContact NH2-NE2 3.18Å
390N91.4Very high93.3Very high37 Ų3724.3 Ų24.320%0.19812%0.117CC..Hα-helixtrans-75.6-16.8-178.1-65.4-29.6000113.1L387 S388L387-N390 PolarHBondContact O-N 3.13Å; S388-N390 VanDerWaalsContact C-N 3.25Å; S388-N390 PolarHBondContact O-N 3.16Å
391E95.6Very high93.5Very high3 Ų326.1 Ų26.11%0.01413%0.126CC..Hα-helixtrans-88.9-27-179.9-61.6-62.7137.500111.9L94 V100 E102 G103 T348 N351 S388 R389L94-E391 HydrophobicContact CD1-CB 4.35Å; L94-E391 HydrophobicContact CD2-CB 4.37Å; V100-E391 VanDerWaalsContact CG1-O 3.28Å; V100-E391 WeakPolarHBondContact CG1-O 3.34Å; E102-E391 PolarHBondContact N-O 3.44Å; E102-E391 PolarHBondContact N-OE2 3.16Å; G103-E391 PolarHBondContact N-O 3.12Å; T348-E391 HydrophobicContact CG2-CB 4.38Å; T348-E391 HydrophobicContact CG2-CG 3.99Å; N351-E391 WeakPolarHBondContact CB-OE1 3.29Å; N351-E391 PolarHBondContact ND2-OE2 3.17Å; S388-E391 PolarHBondContact O-N 2.04Å; S388-E391 VanDerWaalsContact O-N 3.09Å; R389-E391 VanDerWaalsContact C-N 3.27Å; R389-E391 PolarHBondContact O-N 2.89Å
392L97.9Very high93.4Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-79-27.4-179.3-72.3164.8000113.3F90 L93 L94 L132 H136 S388F90-L392 HydrophobicContact CB-CD1 4.11Å; F90-L392 HydrophobicContact CD1-CD1 3.81Å; F90-L392 HydrophobicContact CG-CD1 4.45Å; F90-L392 WeakPolarHBondContact O-CD1 3.32Å; L93-L392 HydrophobicContact CB-CD1 3.68Å; L93-L392 HydrophobicContact CB-CD2 4.46Å; L93-L392 HydrophobicContact CD1-CD1 4.35Å; L94-L392 HydrophobicContact CB-CD2 4.33Å; L94-L392 HydrophobicContact CB-CG 4.46Å; L94-L392 HydrophobicContact CD1-CD2 4.08Å; L94-L392 HydrophobicContact CD1-CG 4.37Å; L132-L392 HydrophobicContact CD1-CB 4.38Å; L132-L392 HydrophobicContact CD1-CD1 4.5Å; H136-L392 PolarHBondContact CE1-O 3.28Å; H136-L392 PolarHBondContact NE2-O 3.12Å; S388-L392 PolarHBondContact O-N 3.06Å
393F98.1Very high93.4Very high1 Ų121.1 Ų21.10%0.00411%0.107CC..SBendtrans-157.5154.9179.255.1-94.1000111.9F90 G103 L128 L132 V148 V150 R389 H395F90-F393 AromaticContact CE1-CE1 3.93Å; F90-F393 HydrophobicContact CE1-CE1 3.93Å; F90-F393 HydrophobicContact CE1-CZ 4.49Å; G103-F393 VanDerWaalsContact CA-CA 3.42Å; L128-F393 HydrophobicContact CD2-CE1 3.86Å; L128-F393 HydrophobicContact CD2-CE2 4.43Å; L128-F393 HydrophobicContact CD2-CZ 3.74Å; L128-F393 HydrophobicContact CG-CE1 4.46Å; L132-F393 HydrophobicContact CD1-CD1 3.72Å; L132-F393 HydrophobicContact CD1-CE1 3.78Å; L132-F393 HydrophobicContact CD2-CD1 3.93Å; L132-F393 HydrophobicContact CG-CD1 4.48Å; V148-F393 HydrophobicContact CB-CB 4.21Å; V148-F393 HydrophobicContact CG1-CB 3.87Å; V148-F393 CarbonylContact O-C 3.51Å; V148-F393 WeakPolarHBondContact O-CA 3.39Å; V150-F393 HydrophobicContact CB-CD2 3.53Å; V150-F393 HydrophobicContact CB-CE2 3.83Å; V150-F393 HydrophobicContact CB-CG 4.24Å; V150-F393 HydrophobicContact CG1-CD2 4.42Å; V150-F393 HydrophobicContact CG1-CE2 4.24Å; V150-F393 HydrophobicContact CG2-CB 3.86Å; V150-F393 HydrophobicContact CG2-CD1 4.18Å; V150-F393 HydrophobicContact CG2-CD2 3.33Å; V150-F393 HydrophobicContact CG2-CE2 3.82Å; V150-F393 HydrophobicContact CG2-CG 3.51Å; V150-F393 HydrophobicContact CG2-CZ 4.43Å; R389-F393 HydrophobicContact CG-CE1 3.94Å; R389-F393 HydrophobicContact CG-CE2 4.35Å; R389-F393 HydrophobicContact CG-CZ 3.49Å; R389-F393 VanDerWaalsContact CG-CZ 3.49Å; F393-H395 HydrophobicContact CD2-CB 4.09Å; F393-H395 HydrophobicContact CE2-CB 3.9Å; F393-H395 PolarHBondContact O-N 2.89Å
394I97.1Very high93.5Very high28 Ų2824.5 Ų24.514%0.14412%0.119CC..EExtended strand (participates in β ladder)trans-80.2111.6172.9-61.3167.7000108.2E102 Y147 V148 F149 V150 I175E102-I394 WeakPolarHBondContact O-CG1 3.22Å; Y147-I394 HydrophobicContact CD1-CD1 3.75Å; V148-I394 PolarHBondContact O-N 3.08Å; F149-I394 WeakPolarHBondContact CA-O 3.04Å; F149-I394 HydrophobicContact CD1-CB 3.77Å; F149-I394 HydrophobicContact CD1-CD1 4.14Å; F149-I394 HydrophobicContact CD1-CG2 3.75Å; F149-I394 HydrophobicContact CE1-CB 4.06Å; F149-I394 HydrophobicContact CE1-CD1 3.61Å; F149-I394 HydrophobicContact CE1-CG1 4.44Å; F149-I394 HydrophobicContact CE1-CG2 3.89Å; F149-I394 HydrophobicContact CG-CB 4.49Å; F149-I394 HydrophobicContact CZ-CD1 3.86Å; V150-I394 PolarHBondContact N-O 3.25Å; I175-I394 HydrophobicContact CD1-CD1 4.07Å; I175-I394 HydrophobicContact CD1-CG2 3.7Å
395H94.9Very high93.4Very high37 Ų3731.8 Ų31.817%0.17115%0.151CC..EExtended strand (participates in β ladder)trans-94.3122.2-178.1-169.8-138.6000111.8E152 R389 F393E152-H395 IonicContact OE2-CE1 3.75Å; E152-H395 PolarHBondContact OE2-CE1 2.84Å; E152-H395 IonicContact OE2-NE2 2.7Å; E152-H395 PolarHBondContact OE2-NE2 3.22Å; R389-H395 PolarHBondContact NH1-CE1 3.06Å; R389-H395 VanDerWaalsContact NH1-CG 3.33Å; R389-H395 PolarHBondContact NH1-ND1 3.28Å; R389-H395 VanDerWaalsContact NH1-ND1 3.1Å; R389-H395 PolarHBondContact NH2-CE1 3.01Å; R389-H395 VanDerWaalsContact NH2-CE1 3.35Å; R389-H395 PolarHBondContact NH2-NE2 3.01Å; R389-H395 VanDerWaalsContact NH2-NE2 3.18Å; F393-H395 HydrophobicContact CD2-CB 4.09Å; F393-H395 HydrophobicContact CE2-CB 3.9Å; F393-H395 PolarHBondContact O-N 2.89Å
396F95.3Very high93Very high4 Ų435.1 Ų35.12%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-125.9123.6175.5-173.3-96.4000110.8V150 I151 E152 V167 H171 Y314 K318 F398V150-F396 PolarHBondContact O-N 3.1Å; I151-F396 CarbonylContact C-O 3.59Å; I151-F396 WeakPolarHBondContact CA-O 3.38Å; I151-F396 HydrophobicContact CD1-CB 3.88Å; I151-F396 HydrophobicContact CG2-CD1 4.4Å; E152-F396 PolarHBondContact N-O 3.26Å; V167-F396 HydrophobicContact CG1-CD1 3.92Å; V167-F396 HydrophobicContact CG1-CE1 3.64Å; H171-F396 AromaticContact CD2-CD2 3.73Å; H171-F396 AromaticContact CD2-CG 3.79Å; H171-F396 AromaticContact CE1-CD2 3.46Å; H171-F396 VanDerWaalsContact CE1-CD2 3.46Å; H171-F396 WeakPolarHBondContact CE1-CD2 3.07Å; H171-F396 AromaticContact CE1-CE2 3.91Å; H171-F396 AromaticContact CG-CD2 3.87Å; H171-F396 AromaticContact ND1-CD2 3.71Å; H171-F396 AromaticContact ND1-CE2 3.88Å; H171-F396 AromaticContact NE2-CD2 3.44Å; H171-F396 WeakPolarHBondContact NE2-CD2 3.35Å; H171-F396 AromaticContact NE2-CG 3.92Å; Y314-F396 HydrophobicContact CE2-CZ 4.24Å; K318-F396 HydrophobicContact CB-CE2 4.41Å; K318-F396 HydrophobicContact CB-CZ 4.39Å; F396-F398 HydrophobicContact CD1-CB 4.31Å; F396-F398 HydrophobicContact CE1-CB 4.07Å; F396-F398 HydrophobicContact CE1-CD2 4.25Å
397I94.2Very high92.6Very high40 Ų4034.4 Ų34.421%0.20516%0.159CC..EExtended strand (participates in β ladder)trans-98.8123.6-179.8-56.4175.4000109.5E152 A154 S321E152-I397 HydrophobicContact CB-CG1 4.33Å; A154-I397 HydrophobicContact CB-CG2 3.62Å; S321-I397 WeakPolarHBondContact CB-O 3.48Å; S321-I397 PolarHBondContact OG-N 3.31Å; S321-I397 PolarHBondContact OG-O 3.31Å
398F94.5Very high92.1Very high0 Ų040.9 Ų40.90%019%0.186CC..EExtended strand (participates in β ladder)trans-123.8120.8179.4-175.8-105000110E152 Q153 A154 L163 L164 V167 I313 W317 F396 P400E152-F398 PolarHBondContact O-N 3.24Å; Q153-F398 CarbonylContact C-O 3.5Å; Q153-F398 VanDerWaalsContact CA-O 3.31Å; Q153-F398 WeakPolarHBondContact CA-O 3.48Å; A154-F398 PolarHBondContact N-O 3.5Å; L163-F398 HydrophobicContact CD1-CE1 4.07Å; L163-F398 HydrophobicContact CD1-CZ 4.36Å; L163-F398 HydrophobicContact CD2-CE1 3.82Å; L163-F398 HydrophobicContact CG-CE1 3.89Å; L164-F398 HydrophobicContact CD2-CB 4.35Å; L164-F398 HydrophobicContact CD2-CD1 4.03Å; V167-F398 HydrophobicContact CG1-CB 4.41Å; V167-F398 HydrophobicContact CG1-CD2 4.13Å; V167-F398 HydrophobicContact CG1-CG 4.26Å; V167-F398 HydrophobicContact CG2-CD1 4.14Å; V167-F398 HydrophobicContact CG2-CD2 4.03Å; V167-F398 HydrophobicContact CG2-CE1 3.95Å; V167-F398 HydrophobicContact CG2-CE2 3.86Å; V167-F398 HydrophobicContact CG2-CG 4.17Å; V167-F398 HydrophobicContact CG2-CZ 3.83Å; I313-F398 HydrophobicContact CG2-CE2 4.32Å; I313-F398 HydrophobicContact CG2-CZ 4.06Å; W317-F398 HydrophobicContact CB-CD2 3.54Å; W317-F398 HydrophobicContact CB-CE2 3.59Å; W317-F398 AromaticContact CD1-CE2 3.33Å; W317-F398 AromaticContact CD1-CZ 3.95Å; W317-F398 HydrophobicContact CD2-CD2 4.43Å; W317-F398 HydrophobicContact CD2-CE2 4.41Å; W317-F398 AromaticContact CG-CD2 3.7Å; W317-F398 HydrophobicContact CG-CD2 3.7Å; W317-F398 AromaticContact CG-CE2 3.48Å; W317-F398 HydrophobicContact CG-CE2 3.48Å; W317-F398 VanDerWaalsContact CG-CE2 3.48Å; W317-F398 HydrophobicContact CG-CZ 4.43Å; F396-F398 HydrophobicContact CD1-CB 4.31Å; F396-F398 HydrophobicContact CE1-CB 4.07Å; F396-F398 HydrophobicContact CE1-CD2 4.25Å; F398-P400 HydrophobicContact CD1-CB 4.02Å; F398-P400 HydrophobicContact CE1-CB 3.62Å
399D93.1Very high91.2Very high32 Ų3247.5 Ų47.517%0.17122%0.219CC..  trans-102.1114173.2-177.6-17.2000108.7A154 W317 I401A154-D399 HydrophobicContact CB-CB 3.91Å; W317-D399 HydrophobicContact CE3-CB 4.2Å; W317-D399 HydrophobicContact CH2-CB 3.55Å; W317-D399 WeakPolarHBondContact CH2-O 3.18Å; W317-D399 HydrophobicContact CZ2-CB 4.22Å; W317-D399 WeakPolarHBondContact CZ2-O 3.39Å; W317-D399 HydrophobicContact CZ3-CB 3.52Å; W317-D399 PolarHBondContact NE1-O 3.04Å; D399-I401 VanDerWaalsContact C-N 3.28Å; D399-I401 PolarHBondContact O-N 3.4Å; D399-I401 VanDerWaalsContact OD1-CB 3.25Å; D399-I401 WeakPolarHBondContact OD1-CB 3.32Å; D399-I401 VanDerWaalsContact OD1-CG2 3.3Å; D399-I401 WeakPolarHBondContact OD1-CG2 3.45Å; D399-I401 PolarHBondContact OD1-N 2.93Å
400P92.6Very high90.1Very high0 Ų047.5 Ų47.50%022%0.221CC..  trans-92.115.2-17241.9-41.1000112.2Q153 A154 T157 L163 W246 F398 D402 L403 Y404Q153-P400 HydrophobicContact CG-CG 3.78Å; A154-P400 WeakPolarHBondContact O-CD 3.45Å; T157-P400 WeakPolarHBondContact OG1-CG 3.49Å; L163-P400 HydrophobicContact CD2-CB 3.65Å; W246-P400 HydrophobicContact CH2-CB 3.84Å; W246-P400 HydrophobicContact CH2-CG 4.04Å; W246-P400 HydrophobicContact CZ3-CB 4.27Å; W246-P400 HydrophobicContact CZ3-CG 3.97Å; F398-P400 HydrophobicContact CD1-CB 4.02Å; F398-P400 HydrophobicContact CE1-CB 3.62Å; P400-D402 VanDerWaalsContact C-N 3.31Å; P400-D402 PolarHBondContact O-N 2.97Å; P400-L403 CarbonylContact O-C 3.6Å; P400-L403 PolarHBondContact O-N 3.35Å; P400-L403 VanDerWaalsContact O-N 3.07Å; P400-Y404 PolarHBondContact O-N 3.04Å
401I91.6Very high89.1Confident47 Ų4746.4 Ų46.424%0.24122%0.216CC..Hα-helixtrans-54.5-41-172.2-172.560.4000114.1T157 D399 Y404 K405T157-I401 HydrophobicContact CG2-CB 4.44Å; T157-I401 HydrophobicContact CG2-CD1 3.51Å; D399-I401 VanDerWaalsContact C-N 3.28Å; D399-I401 PolarHBondContact O-N 3.4Å; D399-I401 VanDerWaalsContact OD1-CB 3.25Å; D399-I401 WeakPolarHBondContact OD1-CB 3.32Å; D399-I401 VanDerWaalsContact OD1-CG2 3.3Å; D399-I401 WeakPolarHBondContact OD1-CG2 3.45Å; D399-I401 PolarHBondContact OD1-N 2.93Å; I401-Y404 PolarHBondContact O-N 3.44Å; I401-K405 HydrophobicContact CD1-CG 4.46Å; I401-K405 HydrophobicContact CG1-CD 4.34Å; I401-K405 WeakPolarHBondContact O-CG 3.5Å; I401-K405 PolarHBondContact O-N 2.95Å
402D88.3Confident87.6Confident56 Ų5653.5 Ų53.530%0.29925%0.246SC..Hα-helixtrans-66.2-43.6178.9-73.3-17.7000111K316 P400 K405 Q406K316-D402 IonicContact NZ-OD2 3.83Å; K316-D402 PolarHBondContact NZ-OD2 2.98Å; P400-D402 VanDerWaalsContact C-N 3.31Å; P400-D402 PolarHBondContact O-N 2.97Å; D402-K405 PolarHBondContact O-N 3.37Å; D402-Q406 WeakPolarHBondContact O-CB 3.4Å; D402-Q406 WeakPolarHBondContact O-CG 3.47Å; D402-Q406 PolarHBondContact O-N 3.49Å
403L90Very high85.7Confident5 Ų556.1 Ų56.13%0.02626%0.263CS..Hα-helixtrans-64.7-43.8175.5-176.860.1000110.1L163 W246 L308 I313 P400 K405 Q406 Y407 I410L163-L403 HydrophobicContact CD1-CD2 3.62Å; L163-L403 HydrophobicContact CD2-CD2 3.75Å; L163-L403 HydrophobicContact CG-CD2 4.34Å; W246-L403 HydrophobicContact CZ2-CG 4.35Å; L308-L403 HydrophobicContact CD2-CD2 4.5Å; I313-L403 HydrophobicContact CD1-CD1 4.07Å; P400-L403 CarbonylContact O-C 3.6Å; P400-L403 PolarHBondContact O-N 3.35Å; P400-L403 VanDerWaalsContact O-N 3.07Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 2.94Å; L403-Q406 CarbonylContact O-C 3.5Å; L403-Q406 PolarHBondContact O-N 3.05Å; L403-Q406 VanDerWaalsContact O-N 3.12Å; L403-Y407 VanDerWaalsContact O-CA 3.31Å; L403-Y407 WeakPolarHBondContact O-CA 3.43Å; L403-Y407 VanDerWaalsContact O-CB 3.25Å; L403-Y407 WeakPolarHBondContact O-CB 3.21Å; L403-Y407 PolarHBondContact O-N 3.07Å; L403-I410 HydrophobicContact CD1-CD1 4.04Å; L403-I410 HydrophobicContact CD1-CG2 4.5Å
404Y91.4Very high83.8Confident84 Ų8462 Ų6233%0.32929%0.293SS..Hα-helixtrans-61.5-35.3177.6-176.9-114.2000113.4T157 P158 W246 P400 I401 Q406 Y407T157-Y404 HydrophobicContact CG2-CD1 3.46Å; T157-Y404 VanDerWaalsContact CG2-CD1 3.46Å; T157-Y404 HydrophobicContact CG2-CE1 4.25Å; T157-Y404 HydrophobicContact CG2-CG 3.66Å; P158-Y404 HydrophobicContact CG-CE2 4.12Å; W246-Y404 HydrophobicContact CB-CE2 4.38Å; W246-Y404 AromaticContact CD2-CD2 3.45Å; W246-Y404 HydrophobicContact CD2-CD2 3.45Å; W246-Y404 VanDerWaalsContact CD2-CD2 3.45Å; W246-Y404 AromaticContact CD2-CE2 3.93Å; W246-Y404 HydrophobicContact CD2-CE2 3.93Å; W246-Y404 AromaticContact CE2-CD2 3.59Å; W246-Y404 AromaticContact CE3-CD2 3.58Å; W246-Y404 HydrophobicContact CE3-CD2 3.58Å; W246-Y404 HydrophobicContact CE3-CE2 4.14Å; W246-Y404 HydrophobicContact CE3-CG 4.41Å; W246-Y404 AromaticContact CG-CD2 3.99Å; W246-Y404 HydrophobicContact CG-CD2 3.99Å; W246-Y404 HydrophobicContact CG-CE2 4.01Å; W246-Y404 AromaticContact CH2-CD2 3.91Å; W246-Y404 HydrophobicContact CH2-CD2 3.91Å; W246-Y404 HydrophobicContact CH2-CG 4.17Å; W246-Y404 AromaticContact CZ2-CD2 3.84Å; W246-Y404 HydrophobicContact CZ2-CD2 3.84Å; W246-Y404 HydrophobicContact CZ2-CG 4.34Å; W246-Y404 AromaticContact CZ3-CD2 3.81Å; W246-Y404 HydrophobicContact CZ3-CD2 3.81Å; W246-Y404 HydrophobicContact CZ3-CG 4.22Å; P400-Y404 PolarHBondContact O-N 3.04Å; I401-Y404 PolarHBondContact O-N 3.44Å; Y404-Q406 VanDerWaalsContact C-N 3.32Å; Y404-Y407 WeakPolarHBondContact O-CD1 3.47Å
405K90.4Very high81.9Confident154 Ų15463.1 Ų63.167%0.6731%0.312SS*.Hα-helixtrans-71.3-31.3176-74.9173.6179.3173.70112.2I401 D402 L403I401-K405 HydrophobicContact CD1-CG 4.46Å; I401-K405 HydrophobicContact CG1-CD 4.34Å; I401-K405 WeakPolarHBondContact O-CG 3.5Å; I401-K405 PolarHBondContact O-N 2.95Å; D402-K405 PolarHBondContact O-N 3.37Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 2.94Å
406Q85.3Confident80.3Confident94 Ų9469.2 Ų69.244%0.43935%0.346SS..Hα-helixtrans-108.9-3.8-170.6-61.3-179.4400113.9D402 L403 Y404 K408 M409 I410D402-Q406 WeakPolarHBondContact O-CB 3.4Å; D402-Q406 WeakPolarHBondContact O-CG 3.47Å; D402-Q406 PolarHBondContact O-N 3.49Å; L403-Q406 CarbonylContact O-C 3.5Å; L403-Q406 PolarHBondContact O-N 3.05Å; L403-Q406 VanDerWaalsContact O-N 3.12Å; Y404-Q406 VanDerWaalsContact C-N 3.32Å; Q406-K408 VanDerWaalsContact C-N 3.28Å; Q406-K408 PolarHBondContact O-N 3.3Å; Q406-K408 VanDerWaalsContact O-N 3.13Å; Q406-M409 WeakPolarHBondContact O-CA 3.45Å; Q406-M409 WeakPolarHBondContact O-CB 3.5Å; Q406-M409 PolarHBondContact O-N 2.81Å; Q406-I410 HydrophobicContact CB-CD1 3.45Å; Q406-I410 VanDerWaalsContact CB-CD1 3.45Å; Q406-I410 HydrophobicContact CB-CG1 3.91Å; Q406-I410 WeakPolarHBondContact O-CG1 3.28Å; Q406-I410 PolarHBondContact O-N 3.48Å
407Y83Confident78.8Confident56 Ų5676.4 Ų76.422%0.2239%0.385CS..Hα-helixtrans-58.1-37.6-167.483.2-76.5000113.1R244 W246 L403 Y404 M409 I410 L411R244-Y407 HydrophobicContact CB-CD2 4.33Å; W246-Y407 AromaticContact CD1-CD2 3.91Å; W246-Y407 AromaticContact CD1-CE2 3.86Å; W246-Y407 AromaticContact NE1-CD1 3.95Å; W246-Y407 AromaticContact NE1-CD2 3.6Å; W246-Y407 AromaticContact NE1-CG 3.53Å; L403-Y407 VanDerWaalsContact O-CA 3.31Å; L403-Y407 WeakPolarHBondContact O-CA 3.43Å; L403-Y407 VanDerWaalsContact O-CB 3.25Å; L403-Y407 WeakPolarHBondContact O-CB 3.21Å; L403-Y407 PolarHBondContact O-N 3.07Å; Y404-Y407 WeakPolarHBondContact O-CD1 3.47Å; Y407-M409 PolarHBondContact O-N 3.01Å; Y407-I410 PolarHBondContact O-N 3.25Å; Y407-L411 HydrophobicContact CD2-CD1 4.4Å; Y407-L411 WeakPolarHBondContact O-CA 3.37Å; Y407-L411 WeakPolarHBondContact O-CB 3.32Å; Y407-L411 WeakPolarHBondContact O-CG 3.08Å; Y407-L411 PolarHBondContact O-N 3.41Å
408K79.5Confident77.8Confident142 Ų14274.9 Ų74.962%0.61738%0.377SS*.Hα-helixtrans-64.1-29.3177.4-64.6-177.5-177169.90113.2Q406Q406-K408 VanDerWaalsContact C-N 3.28Å; Q406-K408 PolarHBondContact O-N 3.3Å; Q406-K408 VanDerWaalsContact O-N 3.13Å
409M77Confident77.2Confident140 Ų14079.1 Ų79.169%0.6940%0.4SS*.Hα-helixtrans-85.6-41.2177.6-175.1179.969.900110.8Q406 Y407Q406-M409 WeakPolarHBondContact O-CA 3.45Å; Q406-M409 WeakPolarHBondContact O-CB 3.5Å; Q406-M409 PolarHBondContact O-N 2.81Å; Y407-M409 PolarHBondContact O-N 3.01Å
410I71Confident76.9Confident38 Ų3878.5 Ų78.520%0.19540%0.396CS..Hα-helixtrans-73.8-41.9-177-65.9174.3000111.7I307 L403 Q406 Y407I307-I410 HydrophobicContact CD1-CG2 3.7Å; I307-I410 HydrophobicContact CG1-CG2 3.6Å; L403-I410 HydrophobicContact CD1-CD1 4.04Å; L403-I410 HydrophobicContact CD1-CG2 4.5Å; Q406-I410 HydrophobicContact CB-CD1 3.45Å; Q406-I410 VanDerWaalsContact CB-CD1 3.45Å; Q406-I410 HydrophobicContact CB-CG1 3.91Å; Q406-I410 WeakPolarHBondContact O-CG1 3.28Å; Q406-I410 PolarHBondContact O-N 3.48Å; Y407-I410 PolarHBondContact O-N 3.25Å
411L69.6Low76.7Confident14 Ų1481.3 Ų81.37%0.07342%0.416CS..THydrogen-bonded Turntrans-100.120.8-172.8-51.7173.9000111.7T243 R244 D303 I307 Y407 P413T243-L411 WeakPolarHBondContact OG1-CD1 3.32Å; R244-L411 HydrophobicContact CB-CD1 3.55Å; D303-L411 HydrophobicContact CB-CD2 4.25Å; I307-L411 HydrophobicContact CB-CD2 4.49Å; I307-L411 HydrophobicContact CG1-CD2 4.13Å; I307-L411 HydrophobicContact CG2-CD2 4.21Å; Y407-L411 HydrophobicContact CD2-CD1 4.4Å; Y407-L411 WeakPolarHBondContact O-CA 3.37Å; Y407-L411 WeakPolarHBondContact O-CB 3.32Å; Y407-L411 WeakPolarHBondContact O-CG 3.08Å; Y407-L411 PolarHBondContact O-N 3.41Å; L411-P413 WeakPolarHBondContact O-CD 3.38Å
412K65.5Low76.5Confident151 Ų15184.5 Ų84.566%0.65743%0.432SS*.  trans-65.3123.1-178.6-165-179.7-178.6-175.90108.9I414K412-I414 PolarHBondContact O-N 2.82Å
413P57.1Low76.5Confident55 Ų5589.9 Ų89.936%0.35745%0.449SS..  trans-58.6125.6173.216.8-25.6000110.2N299 L411 T418N299-P413 HydrophobicContact CB-CB 3.93Å; N299-P413 VanDerWaalsContact ND2-C 3.34Å; N299-P413 WeakPolarHBondContact ND2-CA 3.27Å; N299-P413 WeakPolarHBondContact ND2-CB 3.24Å; L411-P413 WeakPolarHBondContact O-CD 3.38Å; P413-T418 HydrophobicContact CB-CG2 3.81Å
414I58Low76.5Confident124 Ų12491.4 Ų91.464%0.63645%0.454SS*.SBendtrans-80.2114.6168.7-58.8168.9000106.7N299 K412N299-I414 PolarHBondContact ND2-N 2.99Å; N299-I414 PolarHBondContact ND2-O 3.35Å; K412-I414 PolarHBondContact O-N 2.82Å
415G58.5Low76.3Confident52 Ų5288.1 Ų88.154%0.53644%0.441SS..SBendtrans118.4160174.800000115.2
416N60.9Low76.2Confident165 Ų16582.5 Ų82.588%0.88242%0.418SS*.SBendtrans-87.8-14.2-175.6-81.2-2.7000114.6
417N63.7Low76.2Confident156 Ų15681.9 Ų81.983%0.83442%0.415SS*.  trans-127.359.9-169.8-72.4-3.8000112.7
418T71.9Confident76.6Confident7 Ų779.3 Ų79.34%0.04341%0.405CS..  trans-93.9-9.217758.70000113.5R298 N299 P413R298-T418 WeakPolarHBondContact CB-O 3.39Å; N299-T418 HydrophobicContact CB-CG2 3.98Å; N299-T418 WeakPolarHBondContact ND2-CG2 3.38Å; N299-T418 VanDerWaalsContact OD1-CG2 3.26Å; N299-T418 WeakPolarHBondContact OD1-CG2 3.31Å; P413-T418 HydrophobicContact CB-CG2 3.81Å
419D82.1Confident77Confident90 Ų9073.8 Ų73.848%0.48138%0.381SS..PPolyproline II helixtrans-87.1126.9-167.8-63.226.8000108.6L295 K296L295-D419 CarbonylContact O-C 3.56Å; L295-D419 WeakPolarHBondContact O-CA 3.14Å; K296-D419 VanDerWaalsContact CE-OD2 3.24Å; K296-D419 WeakPolarHBondContact CE-OD2 3.19Å; K296-D419 WeakPolarHBondContact CG-OD1 3.43Å
420E88.1Confident77.1Confident19 Ų1969.3 Ų69.39%0.08937%0.37CS..PPolyproline II helixtrans-70153.4168.8-73.1-80-158.300111.2L295 F297 R298 W424L295-E420 HydrophobicContact CD2-CB 4.15Å; L295-E420 PolarHBondContact O-N 2.72Å; F297-E420 HydrophobicContact CD1-CG 3.97Å; F297-E420 HydrophobicContact CE1-CG 3.57Å; F297-E420 WeakPolarHBondContact CE1-OE1 3.26Å; R298-E420 HydrophobicContact CG-CG 4.16Å; R298-E420 IonicContact CZ-OE1 3.04Å; R298-E420 IonicContact CZ-OE2 2.75Å; R298-E420 IonicContact NE-OE1 3.38Å; R298-E420 PolarHBondContact NE-OE1 3.31Å; R298-E420 IonicContact NE-OE2 3.89Å; R298-E420 IonicContact NH1-OE1 2.77Å; R298-E420 IonicContact NH1-OE2 2.6Å; R298-E420 PolarHBondContact NH1-OE2 3.46Å; R298-E420 IonicContact NH2-OE1 3.5Å; R298-E420 PolarHBondContact NH2-OE1 3.08Å; R298-E420 IonicContact NH2-OE2 3.35Å; R298-E420 PolarHBondContact NH2-OE2 2.81Å; E420-W424 HydrophobicContact CB-CD2 4.13Å; E420-W424 HydrophobicContact CB-CE3 3.59Å; E420-W424 HydrophobicContact CB-CZ3 4.22Å; E420-W424 HydrophobicContact CG-CD2 3.94Å; E420-W424 HydrophobicContact CG-CE3 3.63Å; E420-W424 HydrophobicContact CG-CZ3 3.99Å
421S88.5Confident77.1Confident59 Ų5976.1 Ų76.141%0.41339%0.394SS..PPolyproline II helixtrans-67.4147.5171.869.20000110.8W423 W424 Y425S421-W423 PolarHBondContact O-N 3.42Å; S421-W424 PolarHBondContact O-N 3.36Å; S421-W424 WeakPolarHBondContact O-CB 3.45Å; S421-W424 PolarHBondContact OG-N 2.71Å; S421-W424 VanDerWaalsContact O-N 3.1Å; S421-W424 WeakPolarHBondContact OG-CB 3.23Å; S421-Y425 PolarHBondContact O-N 3.23Å; S421-Y425 VanDerWaalsContact O-N 3.09Å
422L87.3Confident76.5Confident113 Ų11381.3 Ų81.359%0.59242%0.42SS*.Hα-helixtrans-55.1-33.5168.7-178.263.5000111.3Y425 L426L422-Y425 HydrophobicContact CD1-CD1 4.35Å; L422-Y425 WeakPolarHBondContact O-CB 3.39Å; L422-Y425 PolarHBondContact O-N 2.87Å; L422-L426 HydrophobicContact CD1-CG 4.38Å; L422-L426 HydrophobicContact CG-CD1 4.07Å; L422-L426 HydrophobicContact CG-CG 4.34Å; L422-L426 VanDerWaalsContact O-CG 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.21Å; L422-L426 PolarHBondContact O-N 3.37Å
423W87.2Confident77.1Confident169 Ų16977.9 Ų77.964%0.6441%0.409SS*.Hα-helixtrans-63-44.7176.6-172.480.7000112.5S421 Y425 L426 H427S421-W423 PolarHBondContact O-N 3.42Å; W423-Y425 VanDerWaalsContact C-N 3.33Å; W423-Y425 PolarHBondContact O-N 3.29Å; W423-L426 PolarHBondContact O-N 3.2Å; W423-H427 WeakPolarHBondContact O-CB 3.34Å; W423-H427 PolarHBondContact O-N 3.06Å
424W90Very high78.1Confident37 Ų3779.1 Ų79.114%0.1441%0.411CS..Hα-helixtrans-60.6-43.8173.3175.391.5000111.4A257 F294 F297 E420 S421 L426 H427 F428A257-W424 HydrophobicContact CB-CH2 3.74Å; A257-W424 HydrophobicContact CB-CZ2 3.98Å; F294-W424 HydrophobicContact CE1-CH2 4.42Å; F294-W424 HydrophobicContact CE1-CZ3 4.25Å; F294-W424 AromaticContact CE2-CH2 3.86Å; F294-W424 HydrophobicContact CE2-CH2 3.86Å; F294-W424 HydrophobicContact CE2-CZ3 4.16Å; F294-W424 AromaticContact CZ-CH2 3.57Å; F294-W424 HydrophobicContact CZ-CH2 3.57Å; F294-W424 AromaticContact CZ-CZ3 3.79Å; F294-W424 HydrophobicContact CZ-CZ3 3.79Å; F297-W424 HydrophobicContact CD1-CH2 4.01Å; F297-W424 HydrophobicContact CD1-CZ3 4.26Å; F297-W424 HydrophobicContact CE1-CE3 4.43Å; F297-W424 AromaticContact CE1-CH2 3.2Å; F297-W424 HydrophobicContact CE1-CH2 3.2Å; F297-W424 AromaticContact CE1-CZ2 3.54Å; F297-W424 HydrophobicContact CE1-CZ2 3.54Å; F297-W424 AromaticContact CE1-CZ3 3.7Å; F297-W424 HydrophobicContact CE1-CZ3 3.7Å; F297-W424 AromaticContact CZ-CH2 3.77Å; F297-W424 HydrophobicContact CZ-CH2 3.77Å; F297-W424 AromaticContact CZ-CZ2 3.71Å; F297-W424 HydrophobicContact CZ-CZ2 3.71Å; E420-W424 HydrophobicContact CB-CD2 4.13Å; E420-W424 HydrophobicContact CB-CE3 3.59Å; E420-W424 HydrophobicContact CB-CZ3 4.22Å; E420-W424 HydrophobicContact CG-CD2 3.94Å; E420-W424 HydrophobicContact CG-CE3 3.63Å; E420-W424 HydrophobicContact CG-CZ3 3.99Å; S421-W424 PolarHBondContact O-N 3.36Å; S421-W424 WeakPolarHBondContact O-CB 3.45Å; S421-W424 PolarHBondContact OG-N 2.71Å; S421-W424 VanDerWaalsContact O-N 3.1Å; S421-W424 WeakPolarHBondContact OG-CB 3.23Å; W424-L426 PolarHBondContact O-N 3.37Å; W424-H427 PolarHBondContact O-N 2.78Å; W424-F428 HydrophobicContact CH2-CB 4.24Å; W424-F428 AromaticContact CH2-CD2 3.95Å; W424-F428 HydrophobicContact CH2-CD2 3.95Å; W424-F428 HydrophobicContact CH2-CG 4.1Å; W424-F428 HydrophobicContact CZ2-CB 4.4Å; W424-F428 AromaticContact CZ2-CD2 3.92Å; W424-F428 HydrophobicContact CZ2-CD2 3.92Å; W424-F428 HydrophobicContact CZ2-CG 4.38Å; W424-F428 HydrophobicContact CZ3-CB 4.35Å; W424-F428 WeakPolarHBondContact O-CB 3.17Å; W424-F428 PolarHBondContact O-N 2.88Å
425Y88.6Confident79.3Confident15 Ų1576.6 Ų76.66%0.05940%0.399CS..Hα-helixtrans-60.6-46178.8176.5-81.4000111.8Q291 F294 L295 S421 L422 W423 H427 F428 Y429Q291-Y425 HydrophobicContact CB-CE2 4.45Å; Q291-Y425 WeakPolarHBondContact CG-OH 3.44Å; Q291-Y425 PolarHBondContact NE2-OH 3.36Å; F294-Y425 AromaticContact CD1-CD2 3.93Å; F294-Y425 HydrophobicContact CD1-CD2 3.93Å; F294-Y425 AromaticContact CD1-CE2 3.71Å; F294-Y425 HydrophobicContact CD1-CE2 3.71Å; F294-Y425 HydrophobicContact CE1-CD2 4.2Å; F294-Y425 HydrophobicContact CE1-CE2 4.26Å; L295-Y425 HydrophobicContact CD2-CD2 3.68Å; L295-Y425 HydrophobicContact CD2-CG 3.96Å; L295-Y425 HydrophobicContact CG-CD2 4.02Å; S421-Y425 PolarHBondContact O-N 3.23Å; S421-Y425 VanDerWaalsContact O-N 3.09Å; L422-Y425 HydrophobicContact CD1-CD1 4.35Å; L422-Y425 WeakPolarHBondContact O-CB 3.39Å; L422-Y425 PolarHBondContact O-N 2.87Å; W423-Y425 VanDerWaalsContact C-N 3.33Å; W423-Y425 PolarHBondContact O-N 3.29Å; Y425-H427 PolarHBondContact O-N 3.31Å; Y425-F428 PolarHBondContact O-N 3.48Å; Y425-F428 WeakPolarHBondContact O-CB 3.36Å; Y425-Y429 AromaticContact CD1-CD2 3.95Å; Y425-Y429 WeakPolarHBondContact OH-CE2 3.44Å; Y425-Y429 PolarHBondContact O-N 2.77Å; Y425-Y429 WeakPolarHBondContact O-CD2 3.4Å; Y425-Y429 AromaticContact CZ-CE2 3.24Å; Y425-Y429 AromaticContact CZ-CD2 3.7Å; Y425-Y429 HydrophobicContact CG-CE2 4.32Å; Y425-Y429 HydrophobicContact CG-CD2 4.31Å; Y425-Y429 VanDerWaalsContact CE2-CE2 3.42Å; Y425-Y429 HydrophobicContact CE2-CE2 3.42Å; Y425-Y429 AromaticContact CE2-CE2 3.42Å; Y425-Y429 HydrophobicContact CE1-CE2 3.69Å; Y425-Y429 AromaticContact CE1-CE2 3.69Å; Y425-Y429 HydrophobicContact CE1-CD2 3.6Å; Y425-Y429 AromaticContact CE1-CD2 3.6Å; Y425-Y429 HydrophobicContact CD2-CE2 3.94Å; Y425-Y429 AromaticContact CD2-CE2 3.94Å; Y425-Y429 HydrophobicContact CD2-CD2 4.39Å; Y425-Y429 HydrophobicContact CD1-CE2 4.22Å; Y425-Y429 HydrophobicContact CD1-CD2 3.95Å; Y425-Y429 HydrophobicContact CE2-CD2 4.14Å
426L87.5Confident80.5Confident36 Ų3678 Ų7819%0.18839%0.391CS..Hα-helixtrans-63.6-42.2178-68.2171.8000112L422 W423 W424 F428 Y429 G430 W431 I432L422-L426 HydrophobicContact CD1-CG 4.38Å; L422-L426 HydrophobicContact CG-CD1 4.07Å; L422-L426 HydrophobicContact CG-CG 4.34Å; L422-L426 VanDerWaalsContact O-CG 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.21Å; L422-L426 PolarHBondContact O-N 3.37Å; W423-L426 PolarHBondContact O-N 3.2Å; W424-L426 PolarHBondContact O-N 3.37Å; L426-F428 VanDerWaalsContact C-N 3.31Å; L426-F428 PolarHBondContact O-N 3.02Å; L426-Y429 PolarHBondContact O-N 3.07Å; L426-G430 PolarHBondContact O-N 3.12Å; L426-W431 HydrophobicContact CD2-CB 4.34Å; L426-W431 HydrophobicContact CD2-CD2 4.16Å; L426-W431 HydrophobicContact CD2-CE3 3.29Å; L426-W431 HydrophobicContact CD2-CZ3 3.87Å; L426-W431 PolarHBondContact O-N 3.35Å; L426-I432 HydrophobicContact CB-CD1 3.84Å; L426-I432 HydrophobicContact CB-CG1 4.22Å; L426-I432 HydrophobicContact CD1-CD1 3.74Å; L426-I432 HydrophobicContact CG-CD1 4.42Å
427H86.4Confident81.7Confident81 Ų8172.6 Ų72.638%0.37536%0.36SS..Hα-helixtrans-65.6-34.4174.1-176.9-73.5000111.8W423 W424 Y425 G430W423-H427 WeakPolarHBondContact O-CB 3.34Å; W423-H427 PolarHBondContact O-N 3.06Å; W424-H427 PolarHBondContact O-N 2.78Å; Y425-H427 PolarHBondContact O-N 3.31Å; H427-G430 PolarHBondContact O-N 3.1Å
428F90.1Very high82.9Confident3 Ų367 Ų671%0.01333%0.328CS..Hα-helixtrans-64-43175.2-178.2-89.2000111.6F220 N222 D253 A257 F294 W424 Y425 L426 G430F220-F428 HydrophobicContact CE2-CD1 4.07Å; F220-F428 AromaticContact CE2-CE1 3.64Å; F220-F428 HydrophobicContact CE2-CE1 3.64Å; F220-F428 HydrophobicContact CE2-CZ 4.34Å; F220-F428 AromaticContact CZ-CE1 3.99Å; F220-F428 HydrophobicContact CZ-CE1 3.99Å; N222-F428 HydrophobicContact CB-CD1 4.48Å; N222-F428 HydrophobicContact CB-CD2 4.07Å; N222-F428 HydrophobicContact CB-CE1 4.2Å; N222-F428 HydrophobicContact CB-CE2 3.77Å; N222-F428 HydrophobicContact CB-CG 4.41Å; N222-F428 HydrophobicContact CB-CZ 3.83Å; N222-F428 WeakPolarHBondContact CB-O 3.32Å; N222-F428 PolarHBondContact ND2-O 3.13Å; D253-F428 HydrophobicContact CB-CE1 4Å; D253-F428 HydrophobicContact CB-CZ 4.44Å; D253-F428 WeakPolarHBondContact O-CZ 3.43Å; A257-F428 HydrophobicContact CB-CD2 4.36Å; A257-F428 HydrophobicContact CB-CE2 3.76Å; A257-F428 HydrophobicContact CB-CZ 4.21Å; F294-F428 AromaticContact CE1-CD1 3.72Å; F294-F428 HydrophobicContact CE1-CD1 3.72Å; F294-F428 AromaticContact CE1-CE1 3.83Å; F294-F428 HydrophobicContact CE1-CE1 3.83Å; F294-F428 HydrophobicContact CE1-CG 4.43Å; F294-F428 AromaticContact CZ-CD1 3.72Å; F294-F428 HydrophobicContact CZ-CD1 3.72Å; F294-F428 HydrophobicContact CZ-CD2 4.46Å; F294-F428 AromaticContact CZ-CE1 3.62Å; F294-F428 HydrophobicContact CZ-CE1 3.62Å; F294-F428 HydrophobicContact CZ-CE2 4.37Å; F294-F428 HydrophobicContact CZ-CG 4.15Å; F294-F428 AromaticContact CZ-CZ 3.97Å; F294-F428 HydrophobicContact CZ-CZ 3.97Å; W424-F428 HydrophobicContact CH2-CB 4.24Å; W424-F428 AromaticContact CH2-CD2 3.95Å; W424-F428 HydrophobicContact CH2-CD2 3.95Å; W424-F428 HydrophobicContact CH2-CG 4.1Å; W424-F428 HydrophobicContact CZ2-CB 4.4Å; W424-F428 AromaticContact CZ2-CD2 3.92Å; W424-F428 HydrophobicContact CZ2-CD2 3.92Å; W424-F428 HydrophobicContact CZ2-CG 4.38Å; W424-F428 HydrophobicContact CZ3-CB 4.35Å; W424-F428 WeakPolarHBondContact O-CB 3.17Å; W424-F428 PolarHBondContact O-N 2.88Å; Y425-F428 PolarHBondContact O-N 3.48Å; Y425-F428 WeakPolarHBondContact O-CB 3.36Å; L426-F428 VanDerWaalsContact C-N 3.31Å; L426-F428 PolarHBondContact O-N 3.02Å; F428-G430 PolarHBondContact O-N 2.92Å
429Y88.2Confident83.7Confident26 Ų2671.3 Ų71.310%0.10235%0.349CS..Hα-helixtrans-79-3.4174.4-73.4-76.6000114.1F220 D253 F294 Y425 L426F220-Y429 WeakPolarHBondContact CB-O 3.43Å; F220-Y429 AromaticContact CD1-CD1 3.78Å; F220-Y429 HydrophobicContact CD1-CD1 3.78Å; F220-Y429 HydrophobicContact CD1-CE1 4.16Å; F220-Y429 AromaticContact CD2-CD1 3.95Å; F220-Y429 HydrophobicContact CD2-CD1 3.95Å; F220-Y429 AromaticContact CE1-CD1 3.68Å; F220-Y429 HydrophobicContact CE1-CD1 3.68Å; F220-Y429 AromaticContact CE1-CE1 3.6Å; F220-Y429 HydrophobicContact CE1-CE1 3.6Å; F220-Y429 AromaticContact CE2-CD1 3.84Å; F220-Y429 HydrophobicContact CE2-CD1 3.84Å; F220-Y429 HydrophobicContact CE2-CE1 4.11Å; F220-Y429 AromaticContact CG-CD1 3.93Å; F220-Y429 HydrophobicContact CG-CD1 3.93Å; F220-Y429 AromaticContact CZ-CD1 3.72Å; F220-Y429 HydrophobicContact CZ-CD1 3.72Å; F220-Y429 AromaticContact CZ-CE1 3.59Å; F220-Y429 HydrophobicContact CZ-CE1 3.59Å; D253-Y429 PolarHBondContact OD2-OH 3.03Å; F294-Y429 HydrophobicContact CD1-CE2 4.05Å; F294-Y429 AromaticContact CE1-CE2 3.74Å; F294-Y429 HydrophobicContact CE1-CE2 3.74Å; F294-Y429 AromaticContact CE1-CZ 3.97Å; Y425-Y429 AromaticContact CD1-CD2 3.95Å; Y425-Y429 WeakPolarHBondContact OH-CE2 3.44Å; Y425-Y429 PolarHBondContact O-N 2.77Å; Y425-Y429 WeakPolarHBondContact O-CD2 3.4Å; Y425-Y429 AromaticContact CZ-CE2 3.24Å; Y425-Y429 AromaticContact CZ-CD2 3.7Å; Y425-Y429 HydrophobicContact CG-CE2 4.32Å; Y425-Y429 HydrophobicContact CG-CD2 4.31Å; Y425-Y429 VanDerWaalsContact CE2-CE2 3.42Å; Y425-Y429 HydrophobicContact CE2-CE2 3.42Å; Y425-Y429 AromaticContact CE2-CE2 3.42Å; Y425-Y429 HydrophobicContact CE1-CE2 3.69Å; Y425-Y429 AromaticContact CE1-CE2 3.69Å; Y425-Y429 HydrophobicContact CE1-CD2 3.6Å; Y425-Y429 AromaticContact CE1-CD2 3.6Å; Y425-Y429 HydrophobicContact CD2-CE2 3.94Å; Y425-Y429 AromaticContact CD2-CE2 3.94Å; Y425-Y429 HydrophobicContact CD2-CD2 4.39Å; Y425-Y429 HydrophobicContact CD1-CE2 4.22Å; Y425-Y429 HydrophobicContact CD1-CD2 3.95Å; Y425-Y429 HydrophobicContact CE2-CD2 4.14Å; L426-Y429 PolarHBondContact O-N 3.07Å
430G79.9Confident83.8Confident46 Ų4669.8 Ų69.847%0.47434%0.339SS..THydrogen-bonded Turntrans70.229.4179.100000113.8L426 H427 F428L426-G430 PolarHBondContact O-N 3.12Å; H427-G430 PolarHBondContact O-N 3.1Å; F428-G430 PolarHBondContact O-N 2.92Å
431W69.4Low83.5Confident180 Ų18074.1 Ų74.168%0.68236%0.359SS*.  trans-84-15.4175.6-66.81.5000112.9L426L426-W431 HydrophobicContact CD2-CB 4.34Å; L426-W431 HydrophobicContact CD2-CD2 4.16Å; L426-W431 HydrophobicContact CD2-CE3 3.29Å; L426-W431 HydrophobicContact CD2-CZ3 3.87Å; L426-W431 PolarHBondContact O-N 3.35Å
432I58.5Low83Confident124 Ų12475.5 Ų75.564%0.63636%0.355SS*.  trans-137.20174.4-54.5172.8000105.8L426L426-I432 HydrophobicContact CB-CD1 3.84Å; L426-I432 HydrophobicContact CB-CG1 4.22Å; L426-I432 HydrophobicContact CD1-CD1 3.74Å; L426-I432 HydrophobicContact CG-CD1 4.42Å

Retrieved 432 of 432 residues in 372.8 ms (Link to these results)

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