A0A096MT33_PAPAN Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB (A0A2K5KT46), UniProt , Accession A0A096MT33, Species PAPAN (Papio anubis, Olive baboon), Gene ACSL3, Length 720 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
1M26.1Very low32.5Very low243 Ų243136 Ų136100%1.19775%0.75SS**  086.50-84.9162.9139.500107.9
2N22.5Very low35.3Very low158 Ų158128 Ų12885%0.84570%0.704SS**  trans-106.2118.5174.7-83.5-7.1000107.8H4N2-H4 PolarHBondContact O-N 2.83Å
3N21.6Very low37.5Very low164 Ų164132.1 Ų132.188%0.87771%0.711SS**  trans-65.396.9171-80.7-24.4000108.4V5N3-V5 VanDerWaalsContact C-N 3.3Å; N3-V5 PolarHBondContact O-N 2.71Å
4H24.3Very low38.7Very low182 Ų182128.1 Ų128.184%0.84369%0.688SS**  trans-58.5101.1154.4-91.1-67.4000107N2 S6N2-H4 PolarHBondContact O-N 2.83Å; H4-S6 PolarHBondContact O-N 2.94Å
5V25.2Very low39.4Very low138 Ų138128.4 Ų128.484%0.83668%0.681SS**  trans-69.874.2155.3-175.80000105.7N3 S7N3-V5 VanDerWaalsContact C-N 3.3Å; N3-V5 PolarHBondContact O-N 2.71Å; V5-S7 PolarHBondContact O-N 3.46Å
6S26.7Very low40.3Very low90 Ų90126.9 Ų126.963%0.62967%0.669SS**  trans-59.1108.9158.2174.60000104.4H4 K8H4-S6 PolarHBondContact O-N 2.94Å; S6-K8 PolarHBondContact O-N 3.47Å
7S31.7Very low41.2Very low103 Ų103128.4 Ų128.472%0.7268%0.684SS**  trans-49.5115.2163.951.80000106.2V5 P9V5-S7 PolarHBondContact O-N 3.46Å; S7-P9 VanDerWaalsContact O-N 3.16Å
8K33.8Very low42.2Very low195 Ų195122.4 Ų122.485%0.84865%0.652SS**  trans-56.7127.4176.5-89.9-177.2178.1176.40105.9S6 S10S6-K8 PolarHBondContact O-N 3.47Å; K8-S10 PolarHBondContact O-N 3.24Å
9P44.2Very low43.7Very low47 Ų47120.9 Ų120.931%0.30564%0.644SS.*  trans-59.3133.5-177.424.7-33.8000109.6S7 T11 M417S7-P9 VanDerWaalsContact O-N 3.16Å; P9-T11 PolarHBondContact O-N 3.03Å; P9-M417 HydrophobicContact CB-CE 4.18Å; P9-M417 HydrophobicContact CB-SD 4Å; P9-M417 HydrophobicContact CG-CE 3.99Å; P9-M417 HydrophobicContact CG-SD 4.27Å
10S47.8Very low45.1Very low87 Ų87119.1 Ų119.161%0.60864%0.639SS**  trans-58.4112.9-177.548.60000109.7K8K8-S10 PolarHBondContact O-N 3.24Å
11T54.3Low46.3Very low89 Ų89119.9 Ų119.955%0.54664%0.642SS.*PPolyproline II helixtrans-77.5147.3179.447.30000110P9 K13 M417P9-T11 PolarHBondContact O-N 3.03Å; T11-K13 PolarHBondContact O-N 3.27Å; T11-M417 HydrophobicContact CG2-CE 3.78Å
12M65.3Low48.3Very low40 Ų40111.2 Ų111.220%0.19760%0.6CS.*PPolyproline II helixtrans-64.8122.3169.7-88.3-170.9152.800108.8M395 I410 Y413 N414 F462M12-M395 HydrophobicContact CE-CE 3.78Å; M12-M395 HydrophobicContact CE-SD 3.63Å; M12-I410 HydrophobicContact CB-CG2 3.87Å; M12-I410 HydrophobicContact SD-CG1 4.39Å; M12-Y413 HydrophobicContact CB-CD1 4.35Å; M12-Y413 HydrophobicContact CG-CD1 4.02Å; M12-Y413 HydrophobicContact CG-CE1 4.05Å; M12-Y413 HydrophobicContact SD-CD1 3.96Å; M12-Y413 HydrophobicContact SD-CD2 4.47Å; M12-Y413 HydrophobicContact SD-CE1 4.28Å; M12-Y413 HydrophobicContact SD-CG 4.07Å; M12-N414 PolarHBondContact N-OD1 3.16Å; M12-N414 PolarHBondContact O-ND2 3.4Å; M12-N414 VanDerWaalsContact O-ND2 3.08Å; M12-F462 HydrophobicContact CE-CD2 4.25Å; M12-F462 HydrophobicContact CE-CE2 4.01Å
13K64.8Low50.5Low181 Ų181106 Ų10679%0.78757%0.572SS**PPolyproline II helixtrans-72.1132.4179-65.8-175-179.1178.40110.2T11 K15T11-K13 PolarHBondContact O-N 3.27Å; K13-K15 PolarHBondContact O-N 3.38Å
14L54.3Low53Low76 Ų76106.7 Ų106.740%0.39856%0.564SS.*PPolyproline II helixtrans-66.5126.4169.3-73.4164.6000108.9I18 N407 I410L14-I18 HydrophobicContact CD1-CD1 4.34Å; L14-I18 HydrophobicContact CD2-CD1 3.8Å; L14-N407 HydrophobicContact CD2-CB 4.48Å; L14-I410 HydrophobicContact CD2-CB 4.31Å; L14-I410 HydrophobicContact CD2-CG2 3.88Å; L14-I410 HydrophobicContact CG-CG2 4.28Å
15K48.9Very low55.4Low133 Ų133103.5 Ų103.558%0.57855%0.548SS*.SBendtrans-79.9-17.9179.6-78.1-174.8175.1178.30113.5K13K13-K15 PolarHBondContact O-N 3.38Å
16H53.8Low57.5Low105 Ų10597.7 Ų97.749%0.48651%0.512SS..SBendtrans-144.6151.8-178.7-60.9-78000112I18 R406H16-I18 PolarHBondContact O-N 2.85Å; H16-I18 VanDerWaalsContact O-N 3.12Å; H16-R406 PolarHBondContact CD2-NH2 2.78Å; H16-R406 PolarHBondContact NE2-NH2 2.87Å; H16-R406 VanDerWaalsContact NE2-NH2 3.11Å
17T55.1Low59.6Low151 Ų15197.6 Ų97.693%0.92650%0.501SS*.  trans-64104.5170.111.40000109.8
18I59.4Low61.7Low22 Ų2298.8 Ų98.811%0.11349%0.494CS..  trans-65.4143.5168.7-61.3166.2000107.6L14 H16 P20 L22 L23 N407 L411L14-I18 HydrophobicContact CD1-CD1 4.34Å; L14-I18 HydrophobicContact CD2-CD1 3.8Å; H16-I18 PolarHBondContact O-N 2.85Å; H16-I18 VanDerWaalsContact O-N 3.12Å; I18-P20 WeakPolarHBondContact O-CD 3.38Å; I18-P20 VanDerWaalsContact O-N 3.16Å; I18-L22 HydrophobicContact CG2-CB 4.37Å; I18-L22 HydrophobicContact CG2-CD2 4.32Å; I18-L22 HydrophobicContact CG2-CG 4.45Å; I18-L23 HydrophobicContact CB-CB 4.43Å; I18-L23 HydrophobicContact CD1-CD1 4.01Å; I18-L23 HydrophobicContact CG2-CB 3.98Å; I18-N407 HydrophobicContact CD1-CB 3.76Å; I18-N407 HydrophobicContact CG1-CB 4.01Å; I18-N407 WeakPolarHBondContact CG1-ND2 3.4Å; I18-L411 HydrophobicContact CD1-CD1 3.98Å
19N70.4Confident63.5Low94 Ų9493.3 Ų93.350%0.50347%0.473SS..  trans-51.5123.1170.3179.6-43.2000109I21 L22 L23N19-I21 PolarHBondContact O-N 2.95Å; N19-I21 VanDerWaalsContact O-N 3.14Å; N19-I21 WeakPolarHBondContact OD1-CB 3.1Å; N19-I21 PolarHBondContact OD1-N 3.01Å; N19-L22 HydrophobicContact CB-CB 4.13Å; N19-L22 WeakPolarHBondContact O-CB 3.13Å; N19-L22 PolarHBondContact O-N 3.09Å; N19-L23 PolarHBondContact O-N 3.49Å
20P71.2Confident64.8Low84 Ų8492.7 Ų92.755%0.54547%0.467SS..Hα-helixtrans-53.4-38.8-174.7-26.232.8000113.3I18 L23 Y24I18-P20 WeakPolarHBondContact O-CD 3.38Å; I18-P20 VanDerWaalsContact O-N 3.16Å; P20-L23 WeakPolarHBondContact O-CB 3.21Å; P20-L23 PolarHBondContact O-N 3.45Å; P20-Y24 WeakPolarHBondContact O-CD2 3.42Å; P20-Y24 PolarHBondContact O-N 3.46Å
21I70.4Confident65.8Low135 Ų13591.7 Ų91.769%0.69246%0.46SS*.Hα-helixtrans-65.5-43.5-179.3-59.2172.1000110.6N19 L23 Y24 F25N19-I21 PolarHBondContact O-N 2.95Å; N19-I21 VanDerWaalsContact O-N 3.14Å; N19-I21 WeakPolarHBondContact OD1-CB 3.1Å; N19-I21 PolarHBondContact OD1-N 3.01Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-Y24 PolarHBondContact O-N 3.04Å; I21-F25 WeakPolarHBondContact O-CB 3.46Å; I21-F25 PolarHBondContact O-N 3.14Å
22L68.3Low66.7Low62 Ų6291 Ų9133%0.32545%0.453SS..Hα-helixtrans-66.6-37.1176.5-176.563.3000111.4I18 N19 F25 I26 F404I18-L22 HydrophobicContact CG2-CB 4.37Å; I18-L22 HydrophobicContact CG2-CD2 4.32Å; I18-L22 HydrophobicContact CG2-CG 4.45Å; N19-L22 HydrophobicContact CB-CB 4.13Å; N19-L22 WeakPolarHBondContact O-CB 3.13Å; N19-L22 PolarHBondContact O-N 3.09Å; L22-F25 PolarHBondContact O-N 2.96Å; L22-I26 HydrophobicContact CD1-CD1 4.44Å; L22-I26 HydrophobicContact CG-CD1 4.09Å; L22-I26 WeakPolarHBondContact O-CB 3.28Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.14Å; L22-I26 PolarHBondContact O-N 2.69Å; L22-F404 HydrophobicContact CD1-CE2 4.21Å; L22-F404 HydrophobicContact CD2-CD2 3.89Å; L22-F404 HydrophobicContact CD2-CE2 3.84Å; L22-F404 HydrophobicContact CG-CE2 4.36Å
23L70.1Confident66.9Low48 Ų4890.7 Ų90.725%0.25145%0.449SS..Hα-helixtrans-65-45175-174.362.7000111.2I18 N19 P20 I21 F25 I26 H27 L411I18-L23 HydrophobicContact CB-CB 4.43Å; I18-L23 HydrophobicContact CD1-CD1 4.01Å; I18-L23 HydrophobicContact CG2-CB 3.98Å; N19-L23 PolarHBondContact O-N 3.49Å; P20-L23 WeakPolarHBondContact O-CB 3.21Å; P20-L23 PolarHBondContact O-N 3.45Å; I21-L23 VanDerWaalsContact C-N 3.32Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.72Å; L23-I26 PolarHBondContact O-N 3.29Å; L23-H27 WeakPolarHBondContact O-CB 3.48Å; L23-H27 PolarHBondContact O-CD2 2.88Å; L23-H27 PolarHBondContact O-N 3.23Å; L23-L411 HydrophobicContact CD1-CD1 3.94Å; L23-L411 HydrophobicContact CD1-CD2 4.18Å
24Y72.5Confident67.1Low179 Ų17983.6 Ų83.670%0.70242%0.421SS*.Hα-helixtrans-61.4-41.2173.6-82.9-68.4000112.2P20 I21 H27 F28P20-Y24 WeakPolarHBondContact O-CD2 3.42Å; P20-Y24 PolarHBondContact O-N 3.46Å; I21-Y24 PolarHBondContact O-N 3.04Å; Y24-H27 PolarHBondContact O-N 2.95Å; Y24-F28 VanDerWaalsContact O-CB 3.3Å; Y24-F28 WeakPolarHBondContact O-CB 3.48Å; Y24-F28 PolarHBondContact O-N 3.18Å
25F74.6Confident67.9Low115 Ų11584.5 Ų84.550%0.50443%0.426SS..Hα-helixtrans-63.7-44.3175.7-177.5-106.5000112I21 L22 L23 F28 L29I21-F25 WeakPolarHBondContact O-CB 3.46Å; I21-F25 PolarHBondContact O-N 3.14Å; L22-F25 PolarHBondContact O-N 2.96Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.72Å; F25-F28 PolarHBondContact O-N 3.08Å; F25-L29 HydrophobicContact CD1-CD1 3.84Å; F25-L29 HydrophobicContact CD1-CG 4.47Å; F25-L29 HydrophobicContact CE1-CD1 3.39Å; F25-L29 HydrophobicContact CE1-CG 4.16Å; F25-L29 HydrophobicContact CZ-CD1 3.8Å; F25-L29 HydrophobicContact CZ-CD2 4.4Å; F25-L29 HydrophobicContact CZ-CG 4.18Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 WeakPolarHBondContact O-CG 3.18Å; F25-L29 PolarHBondContact O-N 3.11Å
26I69.6Low68.8Low16 Ų1683.9 Ų83.98%0.08243%0.428CS..Hα-helixtrans-63.5-43.1175.3-68165.6000110.6L22 L23 L29 I30 L411L22-I26 HydrophobicContact CD1-CD1 4.44Å; L22-I26 HydrophobicContact CG-CD1 4.09Å; L22-I26 WeakPolarHBondContact O-CB 3.28Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.14Å; L22-I26 PolarHBondContact O-N 2.69Å; L23-I26 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 3.38Å; I26-I30 HydrophobicContact CG2-CD1 3.78Å; I26-I30 HydrophobicContact CG2-CG1 4.37Å; I26-I30 WeakPolarHBondContact O-CB 3.4Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.08Å; I26-L411 HydrophobicContact CD1-CD1 4.22Å; I26-L411 HydrophobicContact CG2-CD1 3.86Å
27H71.9Confident69.4Low87 Ų8780.5 Ų80.540%0.40342%0.415SS..Hα-helixtrans-63.6-41.4175.4-81-62.7000112.4L23 Y24 I30 S31L23-H27 WeakPolarHBondContact O-CB 3.48Å; L23-H27 PolarHBondContact O-CD2 2.88Å; L23-H27 PolarHBondContact O-N 3.23Å; Y24-H27 PolarHBondContact O-N 2.95Å; H27-I30 PolarHBondContact O-N 3.41Å; H27-S31 WeakPolarHBondContact O-CB 3.31Å; H27-S31 PolarHBondContact O-N 2.92Å; H27-S31 PolarHBondContact O-OG 3.1Å; H27-S31 VanDerWaalsContact O-OG 3.1Å
28F75.5Confident70Confident129 Ų12976.7 Ų76.757%0.56638%0.384SS*.Hα-helixtrans-60.4-45.6174.6175.6-99.8000111.2Y24 F25 I30 S31 L32Y24-F28 VanDerWaalsContact O-CB 3.3Å; Y24-F28 WeakPolarHBondContact O-CB 3.48Å; Y24-F28 PolarHBondContact O-N 3.18Å; F25-F28 PolarHBondContact O-N 3.08Å; F28-I30 PolarHBondContact O-N 2.83Å; F28-S31 PolarHBondContact O-N 3.12Å; F28-L32 HydrophobicContact CE1-CD2 4.41Å; F28-L32 WeakPolarHBondContact O-CB 3.49Å; F28-L32 PolarHBondContact O-N 2.86Å
29L72.2Confident70.3Confident79 Ų7980 Ų8041%0.41440%0.401SS..Hα-helixtrans-61.4-41.5174.4-74175.7000112.2F25 I26 Y33F25-L29 HydrophobicContact CD1-CD1 3.84Å; F25-L29 HydrophobicContact CD1-CG 4.47Å; F25-L29 HydrophobicContact CE1-CD1 3.39Å; F25-L29 HydrophobicContact CE1-CG 4.16Å; F25-L29 HydrophobicContact CZ-CD1 3.8Å; F25-L29 HydrophobicContact CZ-CD2 4.4Å; F25-L29 HydrophobicContact CZ-CG 4.18Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 WeakPolarHBondContact O-CG 3.18Å; F25-L29 PolarHBondContact O-N 3.11Å; I26-L29 PolarHBondContact O-N 3.38Å; L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.1Å
30I70.7Confident70Confident35 Ų3578.8 Ų78.818%0.17940%0.398CS..Hα-helixtrans-64.8-40.4175.8-71.1168.5000111I26 H27 F28 T34 Y415I26-I30 HydrophobicContact CG2-CD1 3.78Å; I26-I30 HydrophobicContact CG2-CG1 4.37Å; I26-I30 WeakPolarHBondContact O-CB 3.4Å; I26-I30 VanDerWaalsContact O-CG1 3.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.47Å; I26-I30 PolarHBondContact O-N 3.08Å; H27-I30 PolarHBondContact O-N 3.41Å; F28-I30 PolarHBondContact O-N 2.83Å; I30-T34 WeakPolarHBondContact O-CB 3.3Å; I30-T34 PolarHBondContact O-N 2.83Å; I30-T34 PolarHBondContact O-OG1 2.98Å; I30-Y415 HydrophobicContact CG2-CD2 3.31Å; I30-Y415 HydrophobicContact CG2-CE2 3.34Å; I30-Y415 HydrophobicContact CG2-CG 4.02Å
31S69.1Low69.6Low66 Ų6677.4 Ų77.446%0.46238%0.384SS..Hα-helixtrans-66.9-47.4177.2-68.10000111.5H27 F28 Y33 T34 I35H27-S31 WeakPolarHBondContact O-CB 3.31Å; H27-S31 PolarHBondContact O-N 2.92Å; H27-S31 PolarHBondContact O-OG 3.1Å; H27-S31 VanDerWaalsContact O-OG 3.1Å; F28-S31 PolarHBondContact O-N 3.12Å; S31-Y33 VanDerWaalsContact C-N 3.33Å; S31-Y33 PolarHBondContact O-N 3.43Å; S31-T34 WeakPolarHBondContact O-CB 3.39Å; S31-T34 PolarHBondContact O-N 3.37Å; S31-I35 WeakPolarHBondContact O-CG1 3.16Å; S31-I35 PolarHBondContact O-N 3.45Å
32L73.1Confident69.3Low75 Ų7578.3 Ų78.339%0.39338%0.379SS..Hα-helixtrans-60.4-44.1174.8-175.865.4000111.1F28 T34 I35 L36F28-L32 HydrophobicContact CE1-CD2 4.41Å; F28-L32 WeakPolarHBondContact O-CB 3.49Å; F28-L32 PolarHBondContact O-N 2.86Å; L32-T34 VanDerWaalsContact C-N 3.34Å; L32-T34 PolarHBondContact O-N 3.02Å; L32-I35 PolarHBondContact O-N 3.08Å; L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.92Å
33Y69Low68.8Low32 Ų3282.8 Ų82.813%0.12540%0.396CS..Hα-helixtrans-59.1-44.3173.8168-105.3000112.3L29 S31 I35 L36 T37 Y415 T426 L428L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.1Å; S31-Y33 VanDerWaalsContact C-N 3.33Å; S31-Y33 PolarHBondContact O-N 3.43Å; Y33-I35 VanDerWaalsContact C-N 3.32Å; Y33-I35 PolarHBondContact O-N 2.86Å; Y33-L36 PolarHBondContact O-N 2.93Å; Y33-T37 HydrophobicContact CD2-CG2 3.86Å; Y33-T37 HydrophobicContact CE2-CG2 3.19Å; Y33-T37 PolarHBondContact O-N 3.37Å; Y33-T37 PolarHBondContact O-OG1 3.46Å; Y33-Y415 HydrophobicContact CD1-CE1 4.09Å; Y33-Y415 AromaticContact CD1-CZ 3.96Å; Y33-Y415 WeakPolarHBondContact CD1-OH 3.43Å; Y33-Y415 AromaticContact CE1-CE1 3.74Å; Y33-Y415 HydrophobicContact CE1-CE1 3.74Å; Y33-Y415 AromaticContact CE1-CZ 3.93Å; Y33-Y415 WeakPolarHBondContact CE1-OH 3.41Å; Y33-T426 VanDerWaalsContact OH-C 3.32Å; Y33-L428 HydrophobicContact CD2-CB 4.09Å; Y33-L428 HydrophobicContact CD2-CD1 3.47Å; Y33-L428 VanDerWaalsContact CD2-CD1 3.47Å; Y33-L428 HydrophobicContact CD2-CG 4.15Å; Y33-L428 HydrophobicContact CE2-CB 3.3Å; Y33-L428 HydrophobicContact CE2-CD1 3.25Å; Y33-L428 HydrophobicContact CE2-CG 3.41Å; Y33-L428 VanDerWaalsContact CE2-CG 3.41Å; Y33-L428 PolarHBondContact OH-N 3.03Å
34T68.4Low68.2Low32 Ų3289.3 Ų89.320%0.19642%0.423CS..Hα-helixtrans-60.2-46177.4-58.60000109.4I30 S31 L32 L36 T37 Y38 Y415I30-T34 WeakPolarHBondContact O-CB 3.3Å; I30-T34 PolarHBondContact O-N 2.83Å; I30-T34 PolarHBondContact O-OG1 2.98Å; S31-T34 WeakPolarHBondContact O-CB 3.39Å; S31-T34 PolarHBondContact O-N 3.37Å; L32-T34 VanDerWaalsContact C-N 3.34Å; L32-T34 PolarHBondContact O-N 3.02Å; T34-L36 PolarHBondContact O-N 3.07Å; T34-T37 PolarHBondContact O-N 3.35Å; T34-Y38 WeakPolarHBondContact O-CA 3.38Å; T34-Y38 WeakPolarHBondContact O-CB 3.37Å; T34-Y38 PolarHBondContact O-N 3.44Å; T34-Y415 WeakPolarHBondContact OG1-CE2 3.28Å; T34-Y415 PolarHBondContact OG1-OH 3.47Å
35I72Confident67.4Low96 Ų9682.7 Ų82.749%0.49240%0.403SS..Hα-helixtrans-59.3-49.1176.9-66.3165.8000111.3S31 L32 Y33 T37 I39S31-I35 WeakPolarHBondContact O-CG1 3.16Å; S31-I35 PolarHBondContact O-N 3.45Å; L32-I35 PolarHBondContact O-N 3.08Å; Y33-I35 VanDerWaalsContact C-N 3.32Å; Y33-I35 PolarHBondContact O-N 2.86Å; I35-T37 PolarHBondContact O-N 3.13Å; I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 WeakPolarHBondContact O-CG1 3.12Å; I35-I39 PolarHBondContact O-N 3.24Å
36L68.4Low66.5Low119 Ų11983.6 Ų83.662%0.62341%0.409SS*.Hα-helixtrans-66.6-35.2-176.5-71.8170.3000113.9L32 Y33 T34 P40L32-L36 HydrophobicContact CG-CD1 4.16Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.92Å; Y33-L36 PolarHBondContact O-N 2.93Å; T34-L36 PolarHBondContact O-N 3.07Å; L36-P40 VanDerWaalsContact O-CD 3.29Å; L36-P40 WeakPolarHBondContact O-CD 3.42Å
37T66.4Low66.1Low34 Ų3484.6 Ų84.621%0.20942%0.417CS..Hα-helixtrans-90.3-29.2179.549.10000113.7Y33 T34 I35 F41 P427 L428Y33-T37 HydrophobicContact CD2-CG2 3.86Å; Y33-T37 HydrophobicContact CE2-CG2 3.19Å; Y33-T37 PolarHBondContact O-N 3.37Å; Y33-T37 PolarHBondContact O-OG1 3.46Å; T34-T37 PolarHBondContact O-N 3.35Å; I35-T37 PolarHBondContact O-N 3.13Å; T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.98Å; T37-P427 HydrophobicContact CG2-CG 4.46Å; T37-L428 HydrophobicContact CG2-CD1 4.28Å; T37-L428 HydrophobicContact CG2-CG 4.41Å
38Y66.1Low65.9Low71 Ų7185 Ų8528%0.27842%0.415SS..Hα-helixtrans-80-41.7-174.1-178.8-108.3000113T34 F41 Y42 R424T34-Y38 WeakPolarHBondContact O-CA 3.38Å; T34-Y38 WeakPolarHBondContact O-CB 3.37Å; T34-Y38 PolarHBondContact O-N 3.44Å; Y38-F41 PolarHBondContact O-N 3.16Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; Y38-Y42 HydrophobicContact CE1-CD2 4.25Å; Y38-Y42 HydrophobicContact CE1-CG 4.41Å; Y38-Y42 HydrophobicContact CE2-CD2 4.32Å; Y38-Y42 AromaticContact CZ-CD2 3.71Å; Y38-Y42 WeakPolarHBondContact O-CB 3.43Å; Y38-Y42 PolarHBondContact O-N 2.93Å; Y38-Y42 VanDerWaalsContact OH-CD2 3.25Å; Y38-Y42 WeakPolarHBondContact OH-CD2 3.23Å; Y38-R424 VanDerWaalsContact CE2-NH2 3.34Å; Y38-R424 PolarHBondContact OH-NH2 3.2Å
39I66.6Low65.5Low93 Ų9382.6 Ų82.648%0.47741%0.406SS..Hα-helixtrans-57.3-48.4-177.8-67.6172.4000110.6I35 F43I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 WeakPolarHBondContact O-CG1 3.12Å; I35-I39 PolarHBondContact O-N 3.24Å; I39-F43 HydrophobicContact CG2-CD2 4.48Å; I39-F43 HydrophobicContact CG2-CE2 4.21Å; I39-F43 WeakPolarHBondContact O-CD2 3.27Å
40P64.3Low65.4Low67 Ų6785 Ų8544%0.43542%0.415SS..Hα-helixtrans-65-43.9174.2-20.132.9000112.9L36 Y42 F43 F44L36-P40 VanDerWaalsContact O-CD 3.29Å; L36-P40 WeakPolarHBondContact O-CD 3.42Å; P40-Y42 VanDerWaalsContact C-N 3.31Å; P40-Y42 PolarHBondContact O-N 2.69Å; P40-F43 PolarHBondContact O-N 3.28Å; P40-F44 WeakPolarHBondContact O-CD2 3.49Å; P40-F44 PolarHBondContact O-N 3.49Å
41F62.2Low65.6Low56 Ų5687.1 Ų87.125%0.24642%0.423CS..Hα-helixtrans-63-35-177.8-176.5-96.8000113.1T37 Y38 F43 F44 S45 R424 N425T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.98Å; Y38-F41 PolarHBondContact O-N 3.16Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; F41-F43 VanDerWaalsContact C-N 3.33Å; F41-F43 PolarHBondContact O-N 3.2Å; F41-F44 PolarHBondContact O-N 3.27Å; F41-S45 WeakPolarHBondContact CZ-OG 3.46Å; F41-S45 VanDerWaalsContact O-CB 3.24Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.44Å; F41-S45 VanDerWaalsContact O-N 3.11Å; F41-R424 HydrophobicContact CE1-CB 4.37Å; F41-R424 HydrophobicContact CE1-CG 4.28Å; F41-N425 HydrophobicContact CE2-CB 4.31Å
42Y64.1Low66Low153 Ų15384.7 Ų84.760%0.641%0.406SS*.Hα-helixtrans-64.7-34.4179.3-175.5-100.8000112.9Y38 P40Y38-Y42 HydrophobicContact CE1-CD2 4.25Å; Y38-Y42 HydrophobicContact CE1-CG 4.41Å; Y38-Y42 HydrophobicContact CE2-CD2 4.32Å; Y38-Y42 AromaticContact CZ-CD2 3.71Å; Y38-Y42 WeakPolarHBondContact O-CB 3.43Å; Y38-Y42 PolarHBondContact O-N 2.93Å; Y38-Y42 VanDerWaalsContact OH-CD2 3.25Å; Y38-Y42 WeakPolarHBondContact OH-CD2 3.23Å; P40-Y42 VanDerWaalsContact C-N 3.31Å; P40-Y42 PolarHBondContact O-N 2.69Å
43F59.1Low66.3Low156 Ų15686.4 Ų86.468%0.68442%0.415SS*.Hα-helixtrans-84.2-19.2179.7-73.1-70.3000114.1I39 P40 F41I39-F43 HydrophobicContact CG2-CD2 4.48Å; I39-F43 HydrophobicContact CG2-CE2 4.21Å; I39-F43 WeakPolarHBondContact O-CD2 3.27Å; P40-F43 PolarHBondContact O-N 3.28Å; F41-F43 VanDerWaalsContact C-N 3.33Å; F41-F43 PolarHBondContact O-N 3.2Å
44F55.8Low67.1Low185 Ų18590.2 Ų90.281%0.81143%0.434SS*.Hα-helixtrans-118.6-1-171-66.7-67.5000115.4P40 F41P40-F44 WeakPolarHBondContact O-CD2 3.49Å; P40-F44 PolarHBondContact O-N 3.49Å; F41-F44 PolarHBondContact O-N 3.27Å
45S55.7Low68.2Low40 Ų4092.4 Ų92.428%0.2844%0.444SS..  trans-120.4126-177.6-175.90000111.7F41 S47F41-S45 WeakPolarHBondContact CZ-OG 3.46Å; F41-S45 VanDerWaalsContact O-CB 3.24Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.44Å; F41-S45 VanDerWaalsContact O-N 3.11Å; S45-S47 PolarHBondContact O-N 2.72Å
46E55.9Low69.2Low134 Ų13487.9 Ų87.963%0.62642%0.421SS*.  trans-53.9138.6153.5-77.1-177.7155.400108.7R48 K51E46-R48 PolarHBondContact O-N 2.9Å; E46-R48 VanDerWaalsContact O-N 3.07Å; E46-K51 WeakPolarHBondContact OE2-CE 3.36Å; E46-K51 IonicContact OE2-NZ 3.54Å; E46-K51 PolarHBondContact OE2-NZ 3.38Å
47S62.2Low70.5Confident37 Ų3782.3 Ų82.326%0.25939%0.392SS..  trans-67.8112-178.3-1800000109.4S45 Q49 E50 K51S45-S47 PolarHBondContact O-N 2.72Å; S47-Q49 PolarHBondContact O-N 3.4Å; S47-Q49 WeakPolarHBondContact OG-CB 3.35Å; S47-Q49 PolarHBondContact OG-N 3.07Å; S47-E50 WeakPolarHBondContact O-CB 3.08Å; S47-E50 PolarHBondContact O-N 3.25Å; S47-K51 PolarHBondContact O-N 3.33Å
48R67.3Low71.7Confident95 Ų9585.3 Ų85.336%0.35840%0.402SS..Hα-helixtrans-56.6-25.2173.7-60.1179.2172.6-169.6-6.6111.9E46 E50 K51 S52 G423E46-R48 PolarHBondContact O-N 2.9Å; E46-R48 VanDerWaalsContact O-N 3.07Å; R48-E50 VanDerWaalsContact C-N 3.34Å; R48-K51 PolarHBondContact O-N 3.49Å; R48-S52 WeakPolarHBondContact O-CB 3.35Å; R48-S52 PolarHBondContact O-N 2.91Å; R48-G423 WeakPolarHBondContact CB-O 3.48Å
49Q67.7Low72.9Confident79 Ų7984.4 Ų84.437%0.36941%0.405SS..Hα-helixtrans-65-37.7174.7-169.9177.72.800111.8S47 S52 N53 K422S47-Q49 PolarHBondContact O-N 3.4Å; S47-Q49 WeakPolarHBondContact OG-CB 3.35Å; S47-Q49 PolarHBondContact OG-N 3.07Å; Q49-S52 PolarHBondContact O-N 2.87Å; Q49-N53 WeakPolarHBondContact O-CB 3.43Å; Q49-N53 VanDerWaalsContact O-CG 3.26Å; Q49-N53 PolarHBondContact O-N 2.85Å; Q49-N53 VanDerWaalsContact O-N 3.09Å; Q49-N53 PolarHBondContact O-ND2 2.97Å; Q49-K422 PolarHBondContact OE1-O 3.18Å
50E70.1Confident74Confident129 Ų12982.5 Ų82.560%0.60340%0.397SS*.Hα-helixtrans-64.4-47.4175.2-70.7168.1-175.600110.4S47 R48 S52 N53 Q54S47-E50 WeakPolarHBondContact O-CB 3.08Å; S47-E50 PolarHBondContact O-N 3.25Å; R48-E50 VanDerWaalsContact C-N 3.34Å; E50-S52 VanDerWaalsContact C-N 3.34Å; E50-S52 PolarHBondContact O-N 3.03Å; E50-N53 PolarHBondContact O-N 2.93Å; E50-N53 VanDerWaalsContact O-N 3.13Å; E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.33Å
51K74.2Confident74.9Confident80 Ų8084.1 Ų84.135%0.34840%0.402SS..Hα-helixtrans-59-42.9174.7-65.8-172178.8179.70112.3E46 S47 R48 N53 Q54 W490E46-K51 WeakPolarHBondContact OE2-CE 3.36Å; E46-K51 IonicContact OE2-NZ 3.54Å; E46-K51 PolarHBondContact OE2-NZ 3.38Å; S47-K51 PolarHBondContact O-N 3.33Å; R48-K51 PolarHBondContact O-N 3.49Å; K51-N53 PolarHBondContact O-N 3.25Å; K51-Q54 PolarHBondContact O-N 3.45Å; K51-W490 HydrophobicContact CB-CB 4.29Å; K51-W490 HydrophobicContact CB-CG 3.97Å
52S77Confident75.6Confident15 Ų1587.7 Ų87.711%0.10543%0.434CS..Hα-helixtrans-62.2-30177-171.30000113.5R48 Q49 E50 K56R48-S52 WeakPolarHBondContact O-CB 3.35Å; R48-S52 PolarHBondContact O-N 2.91Å; Q49-S52 PolarHBondContact O-N 2.87Å; E50-S52 VanDerWaalsContact C-N 3.34Å; E50-S52 PolarHBondContact O-N 3.03Å; S52-K56 PolarHBondContact O-NZ 3.12Å
53N80Confident76.4Confident111 Ų11187 Ų8759%0.59443%0.434SS*.Hα-helixtrans-91.9-3.2-177.2-71.4-14.3000113.6Q49 E50 K51Q49-N53 WeakPolarHBondContact O-CB 3.43Å; Q49-N53 VanDerWaalsContact O-CG 3.26Å; Q49-N53 PolarHBondContact O-N 2.85Å; Q49-N53 VanDerWaalsContact O-N 3.09Å; Q49-N53 PolarHBondContact O-ND2 2.97Å; E50-N53 PolarHBondContact O-N 2.93Å; E50-N53 VanDerWaalsContact O-N 3.13Å; K51-N53 PolarHBondContact O-N 3.25Å
54Q86.3Confident76.9Confident112 Ų11283.9 Ų83.952%0.52343%0.43SS..SBendtrans-65.3150.6175.9-73.61739.100111.1E50 K51 K56E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.33Å; K51-Q54 PolarHBondContact O-N 3.45Å; Q54-K56 WeakPolarHBondContact O-CG 3.49Å; Q54-K56 PolarHBondContact O-N 2.81Å; Q54-K56 PolarHBondContact O-NZ 3.16Å
55I91Very high78Confident78 Ų7879.7 Ų79.740%0.442%0.416SS..  trans-69.7126.5170.7-58.4172.9000107.8A57 K58 V71I55-A57 VanDerWaalsContact CG2-O 3.23Å; I55-A57 WeakPolarHBondContact CG2-O 2.79Å; I55-K58 VanDerWaalsContact CD1-CE 3.47Å; I55-K58 HydrophobicContact CG2-CD 4.15Å; I55-K58 VanDerWaalsContact CG2-CE 3.48Å; I55-K58 HydrophobicContact CG2-CG 3.55Å; I55-V71 HydrophobicContact CG2-CG1 4.38Å; I55-V71 WeakPolarHBondContact O-CG1 3.32Å
56K93.6Very high79.4Confident2 Ų278.5 Ų78.51%0.00941%0.408CS..  trans-104.4-28.2-173.1-61171.4-169.163.60112.1S52 Q54 S70 V71 E488 A499 D571S52-K56 PolarHBondContact O-NZ 3.12Å; Q54-K56 WeakPolarHBondContact O-CG 3.49Å; Q54-K56 PolarHBondContact O-N 2.81Å; Q54-K56 PolarHBondContact O-NZ 3.16Å; K56-S70 WeakPolarHBondContact O-CA 3.39Å; K56-V71 PolarHBondContact O-N 3.25Å; K56-E488 WeakPolarHBondContact CB-OE1 3.46Å; K56-E488 HydrophobicContact CD-CG 4.45Å; K56-E488 WeakPolarHBondContact CD-OE2 3.33Å; K56-E488 VanDerWaalsContact CG-OE1 3.28Å; K56-E488 WeakPolarHBondContact CG-OE1 3.41Å; K56-E488 WeakPolarHBondContact CG-OE2 3.43Å; K56-A499 HydrophobicContact CB-CB 3.59Å; K56-D571 PolarHBondContact N-O 3.3Å; K56-D571 IonicContact NZ-OD2 2.68Å; K56-D571 PolarHBondContact NZ-OD2 3.38Å
57A94.2Very high81.2Confident2 Ų272.4 Ų72.42%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-145.7154.8171.500000111.7I55 R69 A499 P500 D571 G572I55-A57 VanDerWaalsContact CG2-O 3.23Å; I55-A57 WeakPolarHBondContact CG2-O 2.79Å; A57-R69 CarbonylContact C-O 3.44Å; A57-R69 WeakPolarHBondContact CA-O 3.4Å; A57-R69 WeakPolarHBondContact CB-O 3.33Å; A57-A499 HydrophobicContact CB-CB 3.98Å; A57-P500 HydrophobicContact CB-CG 4.3Å; A57-D571 PolarHBondContact N-O 3.41Å; A57-G572 WeakPolarHBondContact O-CA 3.47Å
58K92.8Very high82.7Confident97 Ų9772.9 Ų72.942%0.42238%0.376SS..EExtended strand (participates in β ladder)trans-138.6154177.3-69.3-177-178.7175.70109.8I55 Y68 R69I55-K58 VanDerWaalsContact CD1-CE 3.47Å; I55-K58 HydrophobicContact CG2-CD 4.15Å; I55-K58 VanDerWaalsContact CG2-CE 3.48Å; I55-K58 HydrophobicContact CG2-CG 3.55Å; K58-Y68 WeakPolarHBondContact O-CA 3.23Å; K58-R69 PolarHBondContact N-O 3.33Å; K58-R69 PolarHBondContact O-N 2.77Å
59P91.4Very high84.1Confident51 Ų5170.5 Ų70.533%0.33137%0.367SS..EExtended strand (participates in β ladder)trans-61.4139.1167.129.4-35000109.4N61 A67 Y68P59-N61 WeakPolarHBondContact CB-O 3.43Å; P59-N61 PolarHBondContact O-N 3.24Å; P59-A67 CarbonylContact C-O 3.54Å; P59-A67 VanDerWaalsContact CA-O 3.28Å; P59-A67 WeakPolarHBondContact CA-O 3.47Å; P59-Y68 HydrophobicContact CB-CD2 4.46Å; P59-Y68 HydrophobicContact CB-CE2 4.2Å
60V88.4Confident85.4Confident54 Ų5466.7 Ų66.733%0.32735%0.35SS..SBendtrans-60.6-38.2-179.9-179.40000110.6S66 A67 R69V60-S66 PolarHBondContact N-OG 2.94Å; V60-A67 WeakPolarHBondContact CG2-O 3.46Å; V60-A67 PolarHBondContact N-O 3.37Å; V60-R69 HydrophobicContact CG2-CB 4.24Å; V60-R69 HydrophobicContact CG2-CG 3.67Å
61N84.4Confident86.5Confident100 Ų10063 Ų6354%0.53534%0.336SS..SBendtrans-131164.1179.7-63.3-7.8000110.6P59 K63 S66P59-N61 WeakPolarHBondContact CB-O 3.43Å; P59-N61 PolarHBondContact O-N 3.24Å; N61-K63 PolarHBondContact O-N 3.35Å; N61-S66 PolarHBondContact N-OG 3.36Å; N61-S66 WeakPolarHBondContact O-CB 3.39Å; N61-S66 PolarHBondContact O-OG 2.92Å
62S76.4Confident87.2Confident132 Ų13264 Ų6492%0.92335%0.345SS*.SBendtrans-72.25-179.1-46.90000115.6
63K80.1Confident87.9Confident137 Ų13763.8 Ų63.860%0.59634%0.343SS*.SBendtrans-83.5144.4-178.9-61.4-175.7177.2179.60110.9N61 D65 S66N61-K63 PolarHBondContact O-N 3.35Å; K63-D65 WeakPolarHBondContact CB-OD1 3.31Å; K63-D65 PolarHBondContact O-N 3.33Å; K63-S66 WeakPolarHBondContact O-CB 3.45Å; K63-S66 PolarHBondContact O-N 3.02Å
64P69.6Low88.3Confident91 Ų9161.5 Ų61.559%0.59133%0.331SS*.THydrogen-bonded Turntrans-60.8-24-179.5-24.234000115.2S66 N518 T519P64-S66 VanDerWaalsContact C-N 3.34Å; P64-N518 PolarHBondContact O-ND2 2.84Å; P64-T519 HydrophobicContact CB-CG2 4.15Å
65D78.9Confident88.3Confident98 Ų9864.3 Ų64.352%0.52435%0.349SS..THydrogen-bonded Turntrans-89.72.5178.165.2-25.5000113.5K63K63-D65 WeakPolarHBondContact CB-OD1 3.31Å; K63-D65 PolarHBondContact O-N 3.33Å
66S86.9Confident88.2Confident15 Ų1562.5 Ų62.511%0.10535%0.35CS..PPolyproline II helixtrans-67.6141.4-177.4-167.70000111.8V60 N61 K63 P64V60-S66 PolarHBondContact N-OG 2.94Å; N61-S66 PolarHBondContact N-OG 3.36Å; N61-S66 WeakPolarHBondContact O-CB 3.39Å; N61-S66 PolarHBondContact O-OG 2.92Å; K63-S66 WeakPolarHBondContact O-CB 3.45Å; K63-S66 PolarHBondContact O-N 3.02Å; P64-S66 VanDerWaalsContact C-N 3.34Å
67A92.1Very high88.3Confident5 Ų564.6 Ų64.64%0.04136%0.361CS..PPolyproline II helixtrans-68.7144.117400000110.5P59 V60 E505 I506 K507 W559P59-A67 CarbonylContact C-O 3.54Å; P59-A67 VanDerWaalsContact CA-O 3.28Å; P59-A67 WeakPolarHBondContact CA-O 3.47Å; V60-A67 WeakPolarHBondContact CG2-O 3.46Å; V60-A67 PolarHBondContact N-O 3.37Å; A67-E505 HydrophobicContact CB-CB 3.96Å; A67-E505 HydrophobicContact CB-CG 4.08Å; A67-E505 WeakPolarHBondContact CB-OE2 3.19Å; A67-I506 CarbonylContact C-O 3.53Å; A67-I506 WeakPolarHBondContact CA-O 3.49Å; A67-K507 HydrophobicContact CB-CD 4.36Å; A67-K507 HydrophobicContact CB-CG 3.64Å; A67-W559 HydrophobicContact CB-CH2 3.92Å
68Y95.4Very high88.3Confident47 Ų4766.1 Ų66.118%0.18437%0.374CS..EExtended strand (participates in β ladder)trans-87.1131168.7-78.6-111.4000109.4K58 P59 E505 I506 F568K58-Y68 WeakPolarHBondContact O-CA 3.23Å; P59-Y68 HydrophobicContact CB-CD2 4.46Å; P59-Y68 HydrophobicContact CB-CE2 4.2Å; Y68-E505 WeakPolarHBondContact O-CA 3.34Å; Y68-I506 PolarHBondContact N-O 2.88Å; Y68-I506 PolarHBondContact O-N 2.75Å; Y68-F568 HydrophobicContact CD1-CD1 4.09Å; Y68-F568 HydrophobicContact CD1-CD2 4.37Å; Y68-F568 HydrophobicContact CD1-CE1 4.13Å; Y68-F568 HydrophobicContact CD1-CE2 4.41Å; Y68-F568 HydrophobicContact CD1-CG 4.22Å; Y68-F568 HydrophobicContact CD1-CZ 4.3Å; Y68-F568 AromaticContact CD2-CD2 3.78Å; Y68-F568 HydrophobicContact CD2-CD2 3.78Å; Y68-F568 AromaticContact CD2-CE2 3.5Å; Y68-F568 HydrophobicContact CD2-CE2 3.5Å; Y68-F568 VanDerWaalsContact CD2-CE2 3.5Å; Y68-F568 HydrophobicContact CD2-CG 4.43Å; Y68-F568 AromaticContact CD2-CZ 3.93Å; Y68-F568 HydrophobicContact CD2-CZ 3.93Å; Y68-F568 HydrophobicContact CE1-CB 4.34Å; Y68-F568 HydrophobicContact CE1-CD1 4.35Å; Y68-F568 HydrophobicContact CE1-CD2 4.33Å; Y68-F568 HydrophobicContact CE1-CG 4.11Å; Y68-F568 AromaticContact CE2-CD2 3.74Å; Y68-F568 HydrophobicContact CE2-CD2 3.74Å; Y68-F568 AromaticContact CE2-CE2 3.95Å; Y68-F568 HydrophobicContact CE2-CE2 3.95Å; Y68-F568 HydrophobicContact CE2-CG 4.33Å; Y68-F568 HydrophobicContact CG-CD1 4.32Å; Y68-F568 HydrophobicContact CG-CD2 4.11Å; Y68-F568 AromaticContact CG-CE1 3.99Å; Y68-F568 HydrophobicContact CG-CE1 3.99Å; Y68-F568 AromaticContact CG-CE2 3.77Å; Y68-F568 HydrophobicContact CG-CE2 3.77Å; Y68-F568 HydrophobicContact CG-CG 4.38Å; Y68-F568 AromaticContact CG-CZ 3.71Å; Y68-F568 HydrophobicContact CG-CZ 3.71Å
69R96Very high88.2Confident45 Ų4563.6 Ų63.617%0.1737%0.369CS..EExtended strand (participates in β ladder)trans-121152172.2-74.5-175.3-167.4173-2.1110.5A57 K58 V60 L74 L77 E505A57-R69 CarbonylContact C-O 3.44Å; A57-R69 WeakPolarHBondContact CA-O 3.4Å; A57-R69 WeakPolarHBondContact CB-O 3.33Å; K58-R69 PolarHBondContact N-O 3.33Å; K58-R69 PolarHBondContact O-N 2.77Å; V60-R69 HydrophobicContact CG2-CB 4.24Å; V60-R69 HydrophobicContact CG2-CG 3.67Å; R69-L74 HydrophobicContact CB-CD2 4.09Å; R69-L74 PolarHBondContact NH1-O 2.68Å; R69-L77 HydrophobicContact CG-CD2 4.3Å; R69-E505 HydrophobicContact CG-CB 3.69Å; R69-E505 IonicContact CZ-OE2 3.25Å; R69-E505 VanDerWaalsContact CZ-OE2 3.25Å; R69-E505 IonicContact NE-OE2 2.78Å; R69-E505 PolarHBondContact NE-OE2 2.86Å; R69-E505 IonicContact NH2-OE1 3.61Å; R69-E505 IonicContact NH2-OE2 2.83Å; R69-E505 PolarHBondContact NH2-OE2 2.81Å
70S94.6Very high88.4Confident0 Ų063.9 Ų63.90%037%0.369CS..EExtended strand (participates in β ladder)trans-57143.4168.7-179.20000110.1K56 N72 S73 L74K56-S70 WeakPolarHBondContact O-CA 3.39Å; S70-N72 PolarHBondContact O-N 2.96Å; S70-N72 VanDerWaalsContact O-N 3.17Å; S70-N72 PolarHBondContact OG-N 3.24Å; S70-S73 CarbonylContact O-C 3.52Å; S70-S73 PolarHBondContact O-N 3.09Å; S70-L74 PolarHBondContact O-N 3.16Å
71V93.4Very high88.5Confident52 Ų5262.7 Ų62.732%0.31536%0.361SS..G310 helixtrans-59.5-23.4172.6-65.70000112.6I55 K56 S73I55-V71 HydrophobicContact CG2-CG1 4.38Å; I55-V71 WeakPolarHBondContact O-CG1 3.32Å; K56-V71 PolarHBondContact O-N 3.25Å; V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 2.85Å
72N89.8Confident89Confident101 Ų10159.4 Ų59.454%0.5434%0.341SS..G310 helixtrans-79.3-6.2177.7-63.4-13.8000113.1S70 E313 V502S70-N72 PolarHBondContact O-N 2.96Å; S70-N72 VanDerWaalsContact O-N 3.17Å; S70-N72 PolarHBondContact OG-N 3.24Å; N72-E313 PolarHBondContact ND2-OE1 2.98Å; N72-V502 HydrophobicContact CB-CG1 3.91Å
73S91Very high89.8Confident9 Ų959.2 Ų59.26%0.06334%0.337CS..G310 helixtrans-148.838.2-173.271.80000112.6S70 V71 G76 V502S70-S73 CarbonylContact O-C 3.52Å; S70-S73 PolarHBondContact O-N 3.09Å; V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 2.85Å; S73-G76 WeakPolarHBondContact CB-O 3.34Å; S73-V502 WeakPolarHBondContact OG-CA 3.4Å
74L87.6Confident90.3Very high63 Ų6355.6 Ų55.633%0.3334%0.339SS..SBendtrans-65-44.4-179.5-69.9174000111.6R69 S70 G76R69-L74 HydrophobicContact CB-CD2 4.09Å; R69-L74 PolarHBondContact NH1-O 2.68Å; S70-L74 PolarHBondContact O-N 3.16Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.44Å
75D86.3Confident91.6Very high171 Ų17151.8 Ų51.891%0.91431%0.314SS*.SBendtrans-76.9-18.9-174.5-56.7-43.9000113.3
76G89.9Confident92.4Very high41 Ų4149.6 Ų49.642%0.42330%0.302SS..  trans-179149.3179.500000113.2S73 L74S73-G76 WeakPolarHBondContact CB-O 3.34Å; L74-G76 VanDerWaalsContact C-N 3.33Å; L74-G76 PolarHBondContact O-N 3.44Å
77L94.5Very high92.9Very high45 Ų4548.9 Ų48.924%0.23630%0.297CS..  trans-79.2139.6179.2-58.1-179000111.1R69 V502 E505R69-L77 HydrophobicContact CG-CD2 4.3Å; L77-V502 CarbonylContact C-O 3.51Å; L77-V502 WeakPolarHBondContact CA-O 3.25Å; L77-E505 HydrophobicContact CD1-CG 4.36Å; L77-E505 HydrophobicContact CD2-CB 4.43Å
78A94.5Very high93.2Very high35 Ų3548.8 Ų48.829%0.28930%0.296SS..  trans-79.2125.4174.300000110.9T309 V502 C503A78-T309 HydrophobicContact CB-CG2 4Å; A78-V502 HydrophobicContact CB-CB 4.23Å; A78-V502 HydrophobicContact CB-CG2 3.94Å; A78-V502 PolarHBondContact N-O 3.22Å; A78-C503 WeakPolarHBondContact O-CA 3.41Å; A78-C503 WeakPolarHBondContact O-CB 3.43Å
79S91.9Very high93.2Very high44 Ų4447.1 Ų47.131%0.30829%0.29SS..  trans-112.4-19.8-175.150.60000114.8I305 A306S79-I305 WeakPolarHBondContact O-CG2 3.33Å; S79-A306 WeakPolarHBondContact O-CA 3.36Å; S79-A306 PolarHBondContact O-N 3.26Å
80V95.1Very high93.3Very high56 Ų5648.7 Ų48.734%0.33930%0.298SS..  trans-135.8142-175.1-65.40000111.7D86 I305 T309V80-D86 HydrophobicContact CG1-CB 4.31Å; V80-I305 HydrophobicContact CB-CG2 4.39Å; V80-I305 HydrophobicContact CG1-CG2 4.19Å; V80-T309 WeakPolarHBondContact O-CG2 3.5Å
81L91.1Very high93.5Very high30 Ų3049 Ų4916%0.15730%0.3CS..SBendtrans-77.2-44-178.7-178.570.5000111.4T309 A312 S344L81-T309 WeakPolarHBondContact CA-OG1 3.47Å; L81-T309 PolarHBondContact N-OG1 3.34Å; L81-A312 HydrophobicContact CD1-CB 3.85Å; L81-S344 VanDerWaalsContact CD2-CB 3.5Å; L81-S344 WeakPolarHBondContact CD2-OG 3.47Å
82Y93.7Very high93.7Very high31 Ų3146.5 Ų46.512%0.12229%0.285CS..SBendtrans-126.2138.9176.5-57.6-58.8000109.3G84 C85 Y94 S344Y82-G84 PolarHBondContact O-N 3.27Å; Y82-C85 WeakPolarHBondContact O-CB 3.24Å; Y82-C85 PolarHBondContact O-N 2.86Å; Y82-Y94 AromaticContact CD1-CE1 3.94Å; Y82-Y94 HydrophobicContact CD1-CE1 3.94Å; Y82-Y94 AromaticContact CD2-CD1 3.45Å; Y82-Y94 HydrophobicContact CD2-CD1 3.45Å; Y82-Y94 VanDerWaalsContact CD2-CD1 3.45Å; Y82-Y94 AromaticContact CD2-CE1 3.55Å; Y82-Y94 HydrophobicContact CD2-CE1 3.55Å; Y82-Y94 HydrophobicContact CD2-CG 4.13Å; Y82-Y94 AromaticContact CE1-CE1 3.91Å; Y82-Y94 HydrophobicContact CE1-CE1 3.91Å; Y82-Y94 AromaticContact CE2-CD1 3.53Å; Y82-Y94 HydrophobicContact CE2-CD1 3.53Å; Y82-Y94 AromaticContact CE2-CE1 3.47Å; Y82-Y94 HydrophobicContact CE2-CE1 3.47Å; Y82-Y94 VanDerWaalsContact CE2-CE1 3.47Å; Y82-Y94 HydrophobicContact CG-CD1 4.04Å; Y82-Y94 AromaticContact CG-CE1 3.79Å; Y82-Y94 HydrophobicContact CG-CE1 3.79Å; Y82-Y94 AromaticContact CZ-CE1 3.68Å; Y82-S344 PolarHBondContact OH-O 2.79Å; Y82-S344 VanDerWaalsContact OH-O 3.04Å
83P93.1Very high94Very high128 Ų12844 Ų4483%0.83127%0.274SS*.THydrogen-bonded Turntrans-52129.9175.9-27.735.3000111.9C85P83-C85 VanDerWaalsContact C-N 3.26Å; P83-C85 PolarHBondContact O-N 3.27Å
84G91.8Very high94.3Very high61 Ų6147.7 Ų47.763%0.62929%0.287SS*.THydrogen-bonded Turntrans77.6-2.2-179.200000115.9Y82 D86 K90Y82-G84 PolarHBondContact O-N 3.27Å; G84-D86 PolarHBondContact O-N 2.91Å; G84-K90 WeakPolarHBondContact O-CD 3.46Å
85C95.6Very high94.8Very high11 Ų1144.7 Ų44.77%0.07427%0.271CS..  trans-100.571.2176-60.50000110.9Y82 P83 K90 V91Y82-C85 WeakPolarHBondContact O-CB 3.24Å; Y82-C85 PolarHBondContact O-N 2.86Å; P83-C85 VanDerWaalsContact C-N 3.26Å; P83-C85 PolarHBondContact O-N 3.27Å; C85-K90 HydrophobicContact CB-CB 4.3Å; C85-V91 HydrophobicContact CB-CG2 3.7Å
86D95.6Very high95.3Very high51 Ų5138 Ų3827%0.27323%0.234SC..  trans-91.70.4-178.457.9-0.3000113.9V80 G84 K90 P278V80-D86 HydrophobicContact CG1-CB 4.31Å; G84-D86 PolarHBondContact O-N 2.91Å; D86-K90 WeakPolarHBondContact OD1-CD 3.33Å; D86-K90 WeakPolarHBondContact OD1-CE 3.23Å; D86-K90 IonicContact OD1-NZ 2.76Å; D86-K90 PolarHBondContact OD1-NZ 3.13Å; D86-K90 IonicContact OD2-NZ 3.37Å; D86-P278 HydrophobicContact CB-CB 4.41Å; D86-P278 HydrophobicContact CB-CG 3.84Å; D86-P278 VanDerWaalsContact CG-CG 3.46Å; D86-P278 WeakPolarHBondContact OD2-CG 3.4Å
87T97.9Very high95.6Very high0 Ų041.1 Ų41.10%024%0.241CC..SBendtrans-134.4156.8175.656.20000111.5D89 K90 V91 P276 P278 H301T87-D89 WeakPolarHBondContact CB-OD1 3.3Å; T87-D89 PolarHBondContact O-N 2.95Å; T87-D89 PolarHBondContact OG1-OD1 3.39Å; T87-K90 PolarHBondContact O-N 3.42Å; T87-K90 VanDerWaalsContact OG1-CD 3.28Å; T87-K90 WeakPolarHBondContact OG1-CD 3.47Å; T87-K90 WeakPolarHBondContact OG1-CE 3.23Å; T87-K90 VanDerWaalsContact OG1-CG 3.23Å; T87-K90 WeakPolarHBondContact OG1-CG 3.42Å; T87-V91 PolarHBondContact O-N 2.69Å; T87-P276 HydrophobicContact CG2-CG 4.29Å; T87-P278 HydrophobicContact CG2-CB 4.46Å; T87-P278 HydrophobicContact CG2-CG 3.99Å; T87-H301 HydrophobicContact CG2-CB 4.21Å
88L97.9Very high95.8Very high3 Ų344.5 Ų44.52%0.01625%0.253CS..Hα-helixtrans-66.9-34.4-175.3-70.1168.4000112.7K90 V91 F92 F180 A282 H301 I304 I305 L340L88-K90 VanDerWaalsContact C-N 3.35Å; L88-V91 PolarHBondContact O-N 2.79Å; L88-F92 WeakPolarHBondContact O-CB 3.43Å; L88-F92 PolarHBondContact O-N 2.97Å; L88-F180 HydrophobicContact CB-CB 3.97Å; L88-F180 HydrophobicContact CB-CD2 3.97Å; L88-F180 HydrophobicContact CB-CG 3.97Å; L88-F180 HydrophobicContact CD1-CD1 3.84Å; L88-F180 HydrophobicContact CD1-CD2 3.81Å; L88-F180 HydrophobicContact CD1-CE1 3.88Å; L88-F180 HydrophobicContact CD1-CE2 3.84Å; L88-F180 HydrophobicContact CD1-CG 3.82Å; L88-F180 HydrophobicContact CD1-CZ 3.88Å; L88-F180 HydrophobicContact CG-CD2 4.47Å; L88-A282 HydrophobicContact CD1-CB 4Å; L88-H301 PolarHBondContact N-ND1 3.49Å; L88-I304 HydrophobicContact CD1-CB 4.44Å; L88-I304 HydrophobicContact CD1-CD1 3.99Å; L88-I304 HydrophobicContact CD1-CG2 4.4Å; L88-I304 HydrophobicContact CD2-CB 4.4Å; L88-I304 HydrophobicContact CD2-CG2 3.85Å; L88-I305 HydrophobicContact CD2-CD1 3.84Å; L88-I305 HydrophobicContact CD2-CG1 4.43Å; L88-I305 HydrophobicContact CG-CD1 4.36Å; L88-L340 HydrophobicContact CD2-CD1 4.05Å; L88-L340 HydrophobicContact CD2-CD2 4.41Å
89D96.7Very high95.9Very high13 Ų1343.2 Ų43.27%0.0724%0.241CC..Hα-helixtrans-64.7-38.2174.670.1-53000111.9T87 F92 T93 M181 P276T87-D89 WeakPolarHBondContact CB-OD1 3.3Å; T87-D89 PolarHBondContact O-N 2.95Å; T87-D89 PolarHBondContact OG1-OD1 3.39Å; D89-F92 PolarHBondContact O-N 3.36Å; D89-T93 VanDerWaalsContact O-CB 3.29Å; D89-T93 WeakPolarHBondContact O-CB 3.42Å; D89-T93 PolarHBondContact O-N 3.44Å; D89-T93 PolarHBondContact O-OG1 3.32Å; D89-M181 HydrophobicContact CB-CG 4.13Å; D89-P276 HydrophobicContact CB-CG 4.31Å; D89-P276 WeakPolarHBondContact OD1-CG 3.47Å
90K97.4Very high96.1Very high78 Ų7845.7 Ų45.734%0.33925%0.247SC..Hα-helixtrans-68-43.5175.5-69177.1-166.6174.80111.2G84 C85 D86 T87 L88 T93 Y94G84-K90 WeakPolarHBondContact O-CD 3.46Å; C85-K90 HydrophobicContact CB-CB 4.3Å; D86-K90 WeakPolarHBondContact OD1-CD 3.33Å; D86-K90 WeakPolarHBondContact OD1-CE 3.23Å; D86-K90 IonicContact OD1-NZ 2.76Å; D86-K90 PolarHBondContact OD1-NZ 3.13Å; D86-K90 IonicContact OD2-NZ 3.37Å; T87-K90 PolarHBondContact O-N 3.42Å; T87-K90 VanDerWaalsContact OG1-CD 3.28Å; T87-K90 WeakPolarHBondContact OG1-CD 3.47Å; T87-K90 WeakPolarHBondContact OG1-CE 3.23Å; T87-K90 VanDerWaalsContact OG1-CG 3.23Å; T87-K90 WeakPolarHBondContact OG1-CG 3.42Å; L88-K90 VanDerWaalsContact C-N 3.35Å; K90-T93 PolarHBondContact O-N 3Å; K90-Y94 WeakPolarHBondContact O-CB 3.24Å; K90-Y94 PolarHBondContact O-N 3.21Å
91V97.9Very high96.2Very high5 Ų549.6 Ų49.63%0.0327%0.265CS..Hα-helixtrans-60.3-45.9174169.90000111.1C85 T87 L88 T93 Y94 A95 I305C85-V91 HydrophobicContact CB-CG2 3.7Å; T87-V91 PolarHBondContact O-N 2.69Å; L88-V91 PolarHBondContact O-N 2.79Å; V91-T93 PolarHBondContact O-N 3.49Å; V91-Y94 PolarHBondContact O-N 3.08Å; V91-A95 WeakPolarHBondContact O-CB 3.35Å; V91-A95 PolarHBondContact O-N 3.33Å; V91-I305 HydrophobicContact CB-CD1 4.27Å; V91-I305 HydrophobicContact CG2-CD1 3.39Å
92F97.7Very high96.6Very high1 Ų152.9 Ų52.90%0.00428%0.279CS..Hα-helixtrans-65.9-40.5179.2-176.8-146.8000111.8L88 D89 Y94 A95 K96 L104 Y137 V140 F141 A144 Q177 M181 L343L88-F92 WeakPolarHBondContact O-CB 3.43Å; L88-F92 PolarHBondContact O-N 2.97Å; D89-F92 PolarHBondContact O-N 3.36Å; F92-Y94 PolarHBondContact O-N 3.46Å; F92-A95 PolarHBondContact O-N 3.47Å; F92-K96 WeakPolarHBondContact O-CB 3.38Å; F92-K96 PolarHBondContact O-N 3.36Å; F92-L104 HydrophobicContact CE2-CD2 4.27Å; F92-Y137 HydrophobicContact CE2-CD1 4.5Å; F92-V140 HydrophobicContact CE2-CG1 4.44Å; F92-V140 HydrophobicContact CZ-CB 4.38Å; F92-V140 HydrophobicContact CZ-CG1 3.83Å; F92-F141 HydrophobicContact CD1-CD2 4.08Å; F92-F141 HydrophobicContact CE1-CB 4.18Å; F92-F141 AromaticContact CE1-CD2 3.77Å; F92-F141 HydrophobicContact CE1-CD2 3.77Å; F92-F141 HydrophobicContact CE1-CG 4.4Å; F92-F141 HydrophobicContact CZ-CB 3.87Å; F92-F141 HydrophobicContact CZ-CD2 4.13Å; F92-A144 HydrophobicContact CE1-CB 4.33Å; F92-Q177 HydrophobicContact CD1-CB 3.92Å; F92-Q177 HydrophobicContact CD1-CG 3.96Å; F92-Q177 HydrophobicContact CE1-CB 3.79Å; F92-Q177 HydrophobicContact CE1-CG 3.92Å; F92-Q177 HydrophobicContact CG-CG 4.43Å; F92-Q177 HydrophobicContact CZ-CG 4.36Å; F92-M181 HydrophobicContact CD1-SD 4.04Å; F92-M181 HydrophobicContact CE1-SD 4.12Å; F92-L343 HydrophobicContact CD2-CD1 4.4Å; F92-L343 HydrophobicContact CD2-CD2 3.79Å; F92-L343 HydrophobicContact CD2-CG 4.49Å; F92-L343 HydrophobicContact CE2-CD1 4.48Å; F92-L343 HydrophobicContact CE2-CD2 4.49Å
93T97Very high96.8Very high49 Ų4958 Ų5830%0.30130%0.298SS..Hα-helixtrans-62.2-43.1174.8-59.90000111.6D89 K90 V91 K96 N97D89-T93 VanDerWaalsContact O-CB 3.29Å; D89-T93 WeakPolarHBondContact O-CB 3.42Å; D89-T93 PolarHBondContact O-N 3.44Å; D89-T93 PolarHBondContact O-OG1 3.32Å; K90-T93 PolarHBondContact O-N 3Å; V91-T93 PolarHBondContact O-N 3.49Å; T93-K96 PolarHBondContact O-N 3.07Å; T93-N97 WeakPolarHBondContact O-CB 3.44Å; T93-N97 PolarHBondContact O-N 3.05Å; T93-N97 PolarHBondContact O-ND2 3.25Å
94Y97.4Very high97Very high86 Ų8651.9 Ų51.934%0.33726%0.258SS..Hα-helixtrans-59.5-51.5174.4176.2-88.5000111Y82 K90 V91 F92 K96 N97 K98Y82-Y94 AromaticContact CD1-CE1 3.94Å; Y82-Y94 HydrophobicContact CD1-CE1 3.94Å; Y82-Y94 AromaticContact CD2-CD1 3.45Å; Y82-Y94 HydrophobicContact CD2-CD1 3.45Å; Y82-Y94 VanDerWaalsContact CD2-CD1 3.45Å; Y82-Y94 AromaticContact CD2-CE1 3.55Å; Y82-Y94 HydrophobicContact CD2-CE1 3.55Å; Y82-Y94 HydrophobicContact CD2-CG 4.13Å; Y82-Y94 AromaticContact CE1-CE1 3.91Å; Y82-Y94 HydrophobicContact CE1-CE1 3.91Å; Y82-Y94 AromaticContact CE2-CD1 3.53Å; Y82-Y94 HydrophobicContact CE2-CD1 3.53Å; Y82-Y94 AromaticContact CE2-CE1 3.47Å; Y82-Y94 HydrophobicContact CE2-CE1 3.47Å; Y82-Y94 VanDerWaalsContact CE2-CE1 3.47Å; Y82-Y94 HydrophobicContact CG-CD1 4.04Å; Y82-Y94 AromaticContact CG-CE1 3.79Å; Y82-Y94 HydrophobicContact CG-CE1 3.79Å; Y82-Y94 AromaticContact CZ-CE1 3.68Å; K90-Y94 WeakPolarHBondContact O-CB 3.24Å; K90-Y94 PolarHBondContact O-N 3.21Å; V91-Y94 PolarHBondContact O-N 3.08Å; F92-Y94 PolarHBondContact O-N 3.46Å; Y94-K96 PolarHBondContact O-N 3.14Å; Y94-N97 PolarHBondContact O-N 2.87Å; Y94-K98 HydrophobicContact CE1-CD 3.97Å; Y94-K98 WeakPolarHBondContact O-CB 3.21Å; Y94-K98 PolarHBondContact O-N 3.33Å
95A97.4Very high97.4Very high0 Ų049 Ų490%023%0.228CC..Hα-helixtrans-60.8-44.6179.600000111.6V91 F92 N97 K98 F99 Y137 L343V91-A95 WeakPolarHBondContact O-CB 3.35Å; V91-A95 PolarHBondContact O-N 3.33Å; F92-A95 PolarHBondContact O-N 3.47Å; A95-N97 PolarHBondContact O-N 3.47Å; A95-K98 PolarHBondContact O-N 2.9Å; A95-F99 HydrophobicContact CB-CD2 4.29Å; A95-F99 WeakPolarHBondContact O-CB 3.49Å; A95-F99 VanDerWaalsContact O-CD2 3.22Å; A95-F99 WeakPolarHBondContact O-CD2 3.27Å; A95-F99 PolarHBondContact O-N 3.33Å; A95-Y137 HydrophobicContact CB-CD1 4.36Å; A95-Y137 HydrophobicContact CB-CE1 3.89Å; A95-L343 HydrophobicContact CB-CD2 4.34Å
96K96.6Very high97.5Very high30 Ų3048.5 Ų48.513%0.1323%0.225CC..Hα-helixtrans-59.7-44.8175.5-179.7-88.8-88.6178.20111.8F92 T93 Y94 K98 K100 E138 F141F92-K96 WeakPolarHBondContact O-CB 3.38Å; F92-K96 PolarHBondContact O-N 3.36Å; T93-K96 PolarHBondContact O-N 3.07Å; Y94-K96 PolarHBondContact O-N 3.14Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 3.25Å; K96-K100 WeakPolarHBondContact O-CA 3.21Å; K96-K100 WeakPolarHBondContact O-CB 3.4Å; K96-K100 PolarHBondContact O-N 2.79Å; K96-E138 VanDerWaalsContact CD-OE2 3.29Å; K96-E138 WeakPolarHBondContact CD-OE2 3.38Å; K96-F141 HydrophobicContact CB-CD2 4.24Å; K96-F141 HydrophobicContact CD-CG 4.42Å; K96-F141 HydrophobicContact CG-CB 3.85Å; K96-F141 HydrophobicContact CG-CD2 4.16Å; K96-F141 HydrophobicContact CG-CG 3.99Å
97N97.3Very high97.5Very high106 Ų10648.6 Ų48.657%0.56723%0.227SC*.Hα-helixtrans-67.1-33.9-178.1-71-18.4000111.5T93 Y94 A95T93-N97 WeakPolarHBondContact O-CB 3.44Å; T93-N97 PolarHBondContact O-N 3.05Å; T93-N97 PolarHBondContact O-ND2 3.25Å; Y94-N97 PolarHBondContact O-N 2.87Å; A95-N97 PolarHBondContact O-N 3.47Å
98K97.4Very high97.3Very high116 Ų11649.7 Ų49.750%0.50423%0.231SC..Hα-helixtrans-78.4-40.5178.7-169.3172.9178.2-179.40113.2Y94 A95 K96Y94-K98 HydrophobicContact CE1-CD 3.97Å; Y94-K98 WeakPolarHBondContact O-CB 3.21Å; Y94-K98 PolarHBondContact O-N 3.33Å; A95-K98 PolarHBondContact O-N 2.9Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 3.25Å
99F97.7Very high96.9Very high8 Ų854 Ų544%0.03525%0.252CS..Hα-helixtrans-115.323-170.4-51.7-62.8000113.5A95 N101 K102 Y137 E320 H345 G346A95-F99 HydrophobicContact CB-CD2 4.29Å; A95-F99 WeakPolarHBondContact O-CB 3.49Å; A95-F99 VanDerWaalsContact O-CD2 3.22Å; A95-F99 WeakPolarHBondContact O-CD2 3.27Å; A95-F99 PolarHBondContact O-N 3.33Å; F99-N101 VanDerWaalsContact C-N 3.33Å; F99-N101 PolarHBondContact O-N 3.1Å; F99-K102 HydrophobicContact CB-CB 4.21Å; F99-K102 HydrophobicContact CB-CG 4.23Å; F99-K102 VanDerWaalsContact O-CB 3.3Å; F99-K102 WeakPolarHBondContact O-CB 3.43Å; F99-K102 PolarHBondContact O-N 2.82Å; F99-Y137 HydrophobicContact CB-CD1 4.41Å; F99-Y137 HydrophobicContact CB-CD2 3.7Å; F99-Y137 HydrophobicContact CB-CE1 4.45Å; F99-Y137 HydrophobicContact CB-CE2 3.77Å; F99-Y137 HydrophobicContact CB-CG 4.05Å; F99-Y137 HydrophobicContact CD2-CE1 4.44Å; F99-Y137 HydrophobicContact CG-CE2 4.5Å; F99-Y137 WeakPolarHBondContact O-CD2 3.42Å; F99-E320 HydrophobicContact CD1-CG 3.6Å; F99-E320 HydrophobicContact CE1-CG 3.46Å; F99-E320 VanDerWaalsContact CE1-CG 3.46Å; F99-E320 WeakPolarHBondContact CE1-OE1 3.48Å; F99-E320 HydrophobicContact CZ-CG 4.43Å; F99-H345 VanDerWaalsContact CE2-C 3.48Å; F99-H345 WeakPolarHBondContact CZ-O 3.48Å; F99-G346 VanDerWaalsContact CD2-CA 3.41Å; F99-G346 VanDerWaalsContact CE2-CA 3.5Å
100K96.9Very high96.5Very high97 Ų9757 Ų5742%0.42227%0.27SS..THydrogen-bonded Turntrans-35.4-55.1-168.7-170.3-179.9-177.7177.40115.8K96 E138K96-K100 WeakPolarHBondContact O-CA 3.21Å; K96-K100 WeakPolarHBondContact O-CB 3.4Å; K96-K100 PolarHBondContact O-N 2.79Å; K100-E138 VanDerWaalsContact CE-OE1 3.29Å; K100-E138 WeakPolarHBondContact CE-OE1 3.49Å; K100-E138 WeakPolarHBondContact CE-OE2 3.09Å; K100-E138 HydrophobicContact CG-CB 3.92Å; K100-E138 HydrophobicContact CG-CG 4.41Å; K100-E138 IonicContact NZ-OE1 3.26Å; K100-E138 PolarHBondContact O-N 3.3Å
101N96.9Very high96.1Very high137 Ų13758 Ų5873%0.73328%0.278SS*.THydrogen-bonded Turntrans-94.83.3-173.8-59.2-28000113.6F99F99-N101 VanDerWaalsContact C-N 3.33Å; F99-N101 PolarHBondContact O-N 3.1Å
102K97.8Very high95.7Very high100 Ų10061.3 Ų61.344%0.43530%0.296SS..SBendtrans-81.1153.1179.3-59.5-69.4174.7127.10110F99 S136 Y137 E320F99-K102 HydrophobicContact CB-CB 4.21Å; F99-K102 HydrophobicContact CB-CG 4.23Å; F99-K102 VanDerWaalsContact O-CB 3.3Å; F99-K102 WeakPolarHBondContact O-CB 3.43Å; F99-K102 PolarHBondContact O-N 2.82Å; K102-S136 CarbonylContact O-C 3.56Å; K102-S136 WeakPolarHBondContact O-CA 3.41Å; K102-S136 WeakPolarHBondContact O-CB 3.36Å; K102-Y137 HydrophobicContact CB-CD2 4.21Å; K102-Y137 HydrophobicContact CB-CE2 4.46Å; K102-Y137 WeakPolarHBondContact O-CD2 3.15Å; K102-Y137 PolarHBondContact O-N 3.36Å; K102-E320 VanDerWaalsContact CD-OE2 3.31Å; K102-E320 WeakPolarHBondContact CD-OE2 3.48Å; K102-E320 WeakPolarHBondContact CE-OE2 3.45Å; K102-E320 WeakPolarHBondContact CG-OE2 3.44Å; K102-E320 IonicContact NZ-OE2 2.78Å; K102-E320 PolarHBondContact NZ-OE2 3.34Å
103R98.3Very high95.2Very high138 Ų13865.9 Ų65.952%0.52132%0.317SS..EExtended strand (participates in β ladder)trans-71.8130.2179.5-65.5174.6177.5172.61.4109.2W134 R348R103-W134 HydrophobicContact CB-CB 4.18Å; R103-W134 HydrophobicContact CB-CD2 4.07Å; R103-W134 HydrophobicContact CB-CE3 3.85Å; R103-W134 HydrophobicContact CB-CG 4.24Å; R103-W134 HydrophobicContact CG-CB 3.84Å; R103-W134 HydrophobicContact CG-CD2 4.34Å; R103-W134 HydrophobicContact CG-CG 4.02Å; R103-R348 HydrophobicContact CB-CB 4.31Å; R103-R348 VanDerWaalsContact O-CB 3.25Å; R103-R348 WeakPolarHBondContact O-CB 3.17Å
104L98.6Very high94.6Very high0 Ų066.7 Ų66.70%032%0.318CS..EExtended strand (participates in β ladder)trans-112.8-66.8177.4177.951.8000111.2F92 L135 Y137 V140 L343 I349F92-L104 HydrophobicContact CE2-CD2 4.27Å; L104-L135 PolarHBondContact N-O 3.41Å; L104-Y137 HydrophobicContact CB-CD2 3.77Å; L104-Y137 HydrophobicContact CB-CE2 3.82Å; L104-Y137 HydrophobicContact CB-CG 4.14Å; L104-Y137 HydrophobicContact CD1-CE1 4.04Å; L104-Y137 HydrophobicContact CD1-CE2 4.02Å; L104-Y137 HydrophobicContact CD2-CD1 3.75Å; L104-Y137 HydrophobicContact CD2-CD2 4.46Å; L104-Y137 HydrophobicContact CD2-CE1 3.8Å; L104-Y137 HydrophobicContact CD2-CE2 4.49Å; L104-Y137 HydrophobicContact CD2-CG 4.09Å; L104-Y137 HydrophobicContact CG-CD2 4.5Å; L104-Y137 HydrophobicContact CG-CE1 4.33Å; L104-Y137 HydrophobicContact CG-CE2 4.29Å; L104-V140 HydrophobicContact CB-CG2 4.34Å; L104-V140 HydrophobicContact CD2-CB 4.07Å; L104-V140 HydrophobicContact CD2-CG1 3.98Å; L104-V140 HydrophobicContact CD2-CG2 4.06Å; L104-V140 HydrophobicContact CG-CG2 4.4Å; L104-L343 HydrophobicContact CD1-CB 4.12Å; L104-L343 HydrophobicContact CD1-CD1 4.32Å; L104-L343 HydrophobicContact CD1-CG 3.99Å; L104-L343 HydrophobicContact CD2-CD1 3.97Å; L104-L343 HydrophobicContact CD2-CG 4.09Å; L104-I349 HydrophobicContact CD1-CD1 4.35Å; L104-I349 PolarHBondContact O-N 2.87Å
105L98.6Very high94Very high1 Ų167.5 Ų67.51%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-107.5126.3-173.9-55.7-175.1000111W134 L135 V140 A170 M173 I174 I349 Y351L105-W134 CarbonylContact O-C 3.51Å; L105-W134 WeakPolarHBondContact O-CA 3.12Å; L105-L135 PolarHBondContact N-O 3.23Å; L105-L135 PolarHBondContact O-N 3.45Å; L105-V140 HydrophobicContact CB-CG2 4.3Å; L105-V140 HydrophobicContact CD1-CG1 4.01Å; L105-V140 HydrophobicContact CD1-CG2 3.84Å; L105-V140 HydrophobicContact CG-CG2 3.82Å; L105-A170 HydrophobicContact CB-CB 3.93Å; L105-A170 HydrophobicContact CD1-CB 3.96Å; L105-M173 HydrophobicContact CD1-CB 4.13Å; L105-M173 HydrophobicContact CD1-CG 4.35Å; L105-M173 HydrophobicContact CD2-CG 4.34Å; L105-I174 HydrophobicContact CD1-CD1 4.31Å; L105-I174 HydrophobicContact CD1-CG1 3.89Å; L105-I349 HydrophobicContact CD2-CB 4.3Å; L105-I349 HydrophobicContact CD2-CD1 4.29Å; L105-Y351 HydrophobicContact CB-CE2 4.13Å; L105-Y351 HydrophobicContact CD2-CE2 3.93Å; L105-Y351 HydrophobicContact CG-CE2 4.38Å
106G98Very high93.1Very high0 Ų072.5 Ų72.50%035%0.351CS..EExtended strand (participates in β ladder)trans-118.6127.7-179.900000112.1N133 W134 I349 Y351G106-N133 VanDerWaalsContact CA-O 3.31Å; G106-N133 WeakPolarHBondContact CA-O 3.5Å; G106-W134 VanDerWaalsContact CA-CE3 3.4Å; G106-I349 PolarHBondContact N-O 3.01Å; G106-Y351 WeakPolarHBondContact O-CD2 3.41Å; G106-Y351 PolarHBondContact O-N 3.25Å
107T96.4Very high92.2Very high52 Ų5275.9 Ų75.932%0.31937%0.374SS..EExtended strand (participates in β ladder)trans-123.1142.4174.8-59.70000109.7N133T107-N133 PolarHBondContact N-O 2.85Å; T107-N133 PolarHBondContact O-N 3.39Å
108R93.4Very high91.1Very high23 Ų2374 Ų749%0.08736%0.362CS..EExtended strand (participates in β ladder)trans-82.7139.4176.4-66-157.573.2-166.7-3.7112.5L129 G130 Y132 K369 D371R108-L129 HydrophobicContact CB-CB 4.44Å; R108-L129 VanDerWaalsContact NH1-CB 3.35Å; R108-L129 PolarHBondContact NH2-O 2.94Å; R108-G130 PolarHBondContact NE-O 3.26Å; R108-G130 PolarHBondContact NH2-O 3.15Å; R108-Y132 HydrophobicContact CG-CD1 3.81Å; R108-Y132 HydrophobicContact CG-CD2 3.77Å; R108-Y132 HydrophobicContact CG-CE1 3.56Å; R108-Y132 HydrophobicContact CG-CE2 3.51Å; R108-Y132 HydrophobicContact CG-CG 3.9Å; R108-K369 PolarHBondContact NH1-O 2.88Å; R108-D371 WeakPolarHBondContact CD-OD1 3.34Å; R108-D371 IonicContact NE-OD1 3.23Å; R108-D371 IonicContact NH1-OD1 3.97Å; R108-D371 PolarHBondContact NH1-OD1 3.48Å
109E89.5Confident89.4Confident95 Ų9575.4 Ų75.444%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-69134.2168.9-173.7177.9-16300110.7L111 L129 G130 Q131E109-L111 HydrophobicContact CG-CD2 3.99Å; E109-L129 CarbonylContact O-C 3.53Å; E109-L129 WeakPolarHBondContact O-CA 3.34Å; E109-G130 PolarHBondContact O-N 2.8Å; E109-Q131 PolarHBondContact N-O 2.93Å
110V89.3Confident87.8Confident76 Ų7679.8 Ų79.846%0.46141%0.407SS..EExtended strand (participates in β ladder)trans-90.6108.1170.3-177.10000107.5E113 L129V110-E113 HydrophobicContact CG1-CG 3.83Å; V110-L129 HydrophobicContact CB-CD2 4.4Å; V110-L129 HydrophobicContact CG2-CD2 3.86Å
111L88.9Confident86.3Confident98 Ų9877.7 Ų77.751%0.51341%0.412SS..EExtended strand (participates in β ladder)trans-82.7-38.8-177.8-63.1175.7000112E109 I128E109-L111 HydrophobicContact CG-CD2 3.99Å; L111-I128 WeakPolarHBondContact CB-O 3.06Å; L111-I128 PolarHBondContact N-O 3.5Å
112N87.8Confident85Confident74 Ų7477.5 Ų77.540%0.39641%0.405SS..EExtended strand (participates in β ladder)trans-152.2149.5179.1-162.826.4000111.5E114 V127 I128N112-E114 PolarHBondContact ND2-OE1 3.04Å; N112-E114 VanDerWaalsContact ND2-OE1 3.07Å; N112-V127 WeakPolarHBondContact O-CA 3.39Å; N112-I128 HydrophobicContact CB-CB 4.17Å; N112-I128 HydrophobicContact CB-CD1 4.06Å; N112-I128 HydrophobicContact CB-CG1 4.27Å; N112-I128 PolarHBondContact N-O 3.45Å; N112-I128 PolarHBondContact O-N 2.77Å
113E87.4Confident83.8Confident98 Ų9877.6 Ų77.646%0.45841%0.41SS..EExtended strand (participates in β ladder)trans-121.8133.2168.7-56.5-162.4156.700109.4V110 K126 V127V110-E113 HydrophobicContact CG1-CG 3.83Å; E113-K126 CarbonylContact C-O 3.56Å; E113-K126 WeakPolarHBondContact CA-O 3.15Å; E113-V127 HydrophobicContact CG-CG1 4.19Å
114E85.9Confident82.7Confident66 Ų6674.9 Ų74.931%0.30840%0.402SS..EExtended strand (participates in β ladder)trans-129.2136.3179.7-68.4175.2-159.100110.1N112 K126 K365N112-E114 PolarHBondContact ND2-OE1 3.04Å; N112-E114 VanDerWaalsContact ND2-OE1 3.07Å; E114-K126 PolarHBondContact N-O 3.21Å; E114-K126 PolarHBondContact O-N 3.15Å; E114-K365 IonicContact OE1-NZ 3.35Å; E114-K365 PolarHBondContact OE1-NZ 2.68Å; E114-K365 WeakPolarHBondContact OE2-CD 3.37Å; E114-K365 WeakPolarHBondContact OE2-CE 3.44Å; E114-K365 IonicContact OE2-NZ 4Å; E114-K365 PolarHBondContact OE2-NZ 2.64Å
115D84.6Confident81.9Confident103 Ų10380.6 Ų80.655%0.55143%0.426SS*.EExtended strand (participates in β ladder)trans-87.2115.5176.2-75.2-20.4000109.9I123 K125D115-I123 HydrophobicContact CB-CG2 3.61Å; D115-K125 WeakPolarHBondContact OD1-CG 3.4Å
116E78.1Confident81.3Confident104 Ų10482.2 Ų82.249%0.48643%0.434SS..EExtended strand (participates in β ladder)trans-99.8109.2173.7-170.5178.3164.800109.7Q118 F124 K126E116-Q118 PolarHBondContact O-N 2.91Å; E116-F124 PolarHBondContact N-O 3.42Å; E116-F124 PolarHBondContact O-N 3.22Å; E116-K126 HydrophobicContact CB-CG 4.08Å; E116-K126 WeakPolarHBondContact OE2-CE 3.49Å; E116-K126 IonicContact OE2-NZ 2.72Å
117V77.6Confident80.9Confident101 Ų10182.4 Ų82.461%0.61244%0.435SS*.EExtended strand (participates in β ladder)trans-77.8116176.1-171.20000109.1I123V117-I123 HydrophobicContact CG2-CG1 4.32Å
118Q73.3Confident80.6Confident68 Ų6881.9 Ų81.932%0.31843%0.43SS..  trans-74.2159.6174.1-72.3-157.427.700111.8E116 N120 G121 K122 F124E116-Q118 PolarHBondContact O-N 2.91Å; Q118-N120 WeakPolarHBondContact CB-OD1 3.49Å; Q118-N120 PolarHBondContact O-N 3.44Å; Q118-G121 PolarHBondContact O-N 2.88Å; Q118-K122 WeakPolarHBondContact CB-O 3.18Å; Q118-K122 PolarHBondContact N-O 3.35Å; Q118-F124 HydrophobicContact CG-CD2 3.82Å; Q118-F124 HydrophobicContact CG-CE2 4.25Å
119P63.6Low80.5Confident144 Ų14482 Ų8294%0.93543%0.432SS*.THydrogen-bonded Turntrans-56.8-21.8177.3-25.634.6000114.7G121P119-G121 VanDerWaalsContact C-N 3.32Å
120N64.1Low80.6Confident100 Ų10077.9 Ų77.954%0.53541%0.414SS..THydrogen-bonded Turntrans-87.97.9175.763.99.7000113.8Q118 K122Q118-N120 WeakPolarHBondContact CB-OD1 3.49Å; Q118-N120 PolarHBondContact O-N 3.44Å; N120-K122 VanDerWaalsContact C-N 3.29Å; N120-K122 PolarHBondContact O-N 2.76Å; N120-K122 VanDerWaalsContact OD1-CB 3.3Å; N120-K122 WeakPolarHBondContact OD1-CB 3.33Å; N120-K122 PolarHBondContact OD1-N 3.06Å
121G65.3Low80.9Confident53 Ų5380.3 Ų80.355%0.54642%0.421SS..SBendtrans79.6-3.5-17800000115.3Q118 P119Q118-G121 PolarHBondContact O-N 2.88Å; P119-G121 VanDerWaalsContact C-N 3.32Å
122K68.3Low81.2Confident133 Ų13376.5 Ų76.558%0.57840%0.4SS*.  trans-73.9130.2176.2-69.8-174.2176.2179.60110.7Q118 N120 F124Q118-K122 WeakPolarHBondContact CB-O 3.18Å; Q118-K122 PolarHBondContact N-O 3.35Å; N120-K122 VanDerWaalsContact C-N 3.29Å; N120-K122 PolarHBondContact O-N 2.76Å; N120-K122 VanDerWaalsContact OD1-CB 3.3Å; N120-K122 WeakPolarHBondContact OD1-CB 3.33Å; N120-K122 PolarHBondContact OD1-N 3.06Å; K122-F124 HydrophobicContact CB-CD2 4.28Å; K122-F124 HydrophobicContact CB-CE2 3.99Å; K122-F124 HydrophobicContact CD-CE2 4.49Å
123I73.4Confident81.6Confident103 Ų10377.6 Ų77.653%0.52841%0.406SS..EExtended strand (participates in β ladder)trans-87.3122.8174.7-58.8172.6000108.9D115 V117D115-I123 HydrophobicContact CB-CG2 3.61Å; V117-I123 HydrophobicContact CG2-CG1 4.32Å
124F74.9Confident82.1Confident81 Ų8175.6 Ų75.636%0.35539%0.394SS..EExtended strand (participates in β ladder)trans-108118.2172.3-86.6-107.8000109.9E116 Q118 K122 K126E116-F124 PolarHBondContact N-O 3.42Å; E116-F124 PolarHBondContact O-N 3.22Å; Q118-F124 HydrophobicContact CG-CD2 3.82Å; Q118-F124 HydrophobicContact CG-CE2 4.25Å; K122-F124 HydrophobicContact CB-CD2 4.28Å; K122-F124 HydrophobicContact CB-CE2 3.99Å; K122-F124 HydrophobicContact CD-CE2 4.49Å; F124-K126 PolarHBondContact O-N 3.02Å
125K81.1Confident82.7Confident119 Ų11974.6 Ų74.652%0.51739%0.39SS..EExtended strand (participates in β ladder)trans-70.9119.2173.5-74.1-173173.9-165.20110.8D115 K363D115-K125 WeakPolarHBondContact OD1-CG 3.4Å; K125-K363 WeakPolarHBondContact O-CG 3.17Å
126K86.8Confident83.4Confident36 Ų3670.6 Ų70.616%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-100.8138.9171.4-62.9-59.8-166172.40109.9E113 E114 E116 F124 S362 K363 K365E113-K126 CarbonylContact C-O 3.56Å; E113-K126 WeakPolarHBondContact CA-O 3.15Å; E114-K126 PolarHBondContact N-O 3.21Å; E114-K126 PolarHBondContact O-N 3.15Å; E116-K126 HydrophobicContact CB-CG 4.08Å; E116-K126 WeakPolarHBondContact OE2-CE 3.49Å; E116-K126 IonicContact OE2-NZ 2.72Å; F124-K126 PolarHBondContact O-N 3.02Å; K126-S362 WeakPolarHBondContact CD-O 3.24Å; K126-S362 WeakPolarHBondContact CE-O 3.37Å; K126-S362 PolarHBondContact NZ-O 2.89Å; K126-K363 CarbonylContact C-O 3.54Å; K126-K363 VanDerWaalsContact CA-O 3.31Å; K126-K363 WeakPolarHBondContact CA-O 3.45Å; K126-K365 HydrophobicContact CB-CB 4.29Å
127V89Confident84.4Confident4 Ų465.7 Ų65.72%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-115.1145.2178.4-58.20000111.1N112 E113 L129 T356 K363 I364 K365N112-V127 WeakPolarHBondContact O-CA 3.39Å; E113-V127 HydrophobicContact CG-CG1 4.19Å; V127-L129 HydrophobicContact CB-CD2 4.16Å; V127-L129 HydrophobicContact CB-CG 4.5Å; V127-L129 HydrophobicContact CG2-CD1 4.21Å; V127-L129 HydrophobicContact CG2-CD2 3.84Å; V127-L129 HydrophobicContact CG2-CG 3.85Å; V127-T356 HydrophobicContact CG2-CG2 4.25Å; V127-K363 HydrophobicContact CG1-CD 4.31Å; V127-K363 HydrophobicContact CG1-CG 4.14Å; V127-K363 HydrophobicContact CG2-CD 4.44Å; V127-K363 HydrophobicContact CG2-CG 4.06Å; V127-K363 WeakPolarHBondContact CG2-O 3.21Å; V127-K363 PolarHBondContact N-O 2.83Å; V127-I364 HydrophobicContact CG2-CD1 4.24Å; V127-K365 PolarHBondContact O-N 3.43Å; V127-K365 VanDerWaalsContact O-N 3.16Å
128I90.3Very high85.4Confident41 Ų4163.1 Ų63.121%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-109117.9165-53.8180000106.7L111 N112 K365L111-I128 WeakPolarHBondContact CB-O 3.06Å; L111-I128 PolarHBondContact N-O 3.5Å; N112-I128 HydrophobicContact CB-CB 4.17Å; N112-I128 HydrophobicContact CB-CD1 4.06Å; N112-I128 HydrophobicContact CB-CG1 4.27Å; N112-I128 PolarHBondContact N-O 3.45Å; N112-I128 PolarHBondContact O-N 2.77Å; I128-K365 HydrophobicContact CD1-CD 3.65Å; I128-K365 HydrophobicContact CG1-CB 4.05Å; I128-K365 HydrophobicContact CG1-CD 3.8Å
129L91.4Very high86.6Confident25 Ų2563.4 Ų63.413%0.13133%0.333CS..EExtended strand (participates in β ladder)trans-103.3140.6-175-60177.6000111R108 E109 V110 V127 T356 I364R108-L129 HydrophobicContact CB-CB 4.44Å; R108-L129 VanDerWaalsContact NH1-CB 3.35Å; R108-L129 PolarHBondContact NH2-O 2.94Å; E109-L129 CarbonylContact O-C 3.53Å; E109-L129 WeakPolarHBondContact O-CA 3.34Å; V110-L129 HydrophobicContact CB-CD2 4.4Å; V110-L129 HydrophobicContact CG2-CD2 3.86Å; V127-L129 HydrophobicContact CB-CD2 4.16Å; V127-L129 HydrophobicContact CB-CG 4.5Å; V127-L129 HydrophobicContact CG2-CD1 4.21Å; V127-L129 HydrophobicContact CG2-CD2 3.84Å; V127-L129 HydrophobicContact CG2-CG 3.85Å; L129-T356 HydrophobicContact CD1-CG2 4.22Å; L129-I364 HydrophobicContact CD1-CD1 3.76Å; L129-I364 HydrophobicContact CG-CD1 4.34Å
130G92.3Very high88.2Confident8 Ų856.5 Ų56.58%0.08229%0.288CS..EExtended strand (participates in β ladder)trans-94.3-15917800000113.1R108 E109R108-G130 PolarHBondContact NE-O 3.26Å; R108-G130 PolarHBondContact NH2-O 3.15Å; E109-G130 PolarHBondContact O-N 2.8Å
131Q94.3Very high89.9Confident127 Ų12753.2 Ų53.259%0.59327%0.269SS*.EExtended strand (participates in β ladder)trans-70.8166.6-176.7-62.9-64.8-22.200112.5E109E109-Q131 PolarHBondContact N-O 2.93Å
132Y96.2Very high91.4Very high19 Ų1953.5 Ų53.58%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-75.7124.1168.2-86-87.7000110R108 W134 Y351 D371 M374 L375R108-Y132 HydrophobicContact CG-CD1 3.81Å; R108-Y132 HydrophobicContact CG-CD2 3.77Å; R108-Y132 HydrophobicContact CG-CE1 3.56Å; R108-Y132 HydrophobicContact CG-CE2 3.51Å; R108-Y132 HydrophobicContact CG-CG 3.9Å; Y132-W134 HydrophobicContact CD1-CZ2 4.37Å; Y132-W134 HydrophobicContact CG-CZ2 4.26Å; Y132-W134 VanDerWaalsContact O-CD1 3.3Å; Y132-Y351 WeakPolarHBondContact CE1-O 3.45Å; Y132-Y351 PolarHBondContact OH-O 3.22Å; Y132-D371 WeakPolarHBondContact OH-CB 3.28Å; Y132-M374 HydrophobicContact CE2-CB 4.26Å; Y132-L375 HydrophobicContact CD2-CB 4.42Å; Y132-L375 HydrophobicContact CD2-CD1 4.25Å; Y132-L375 HydrophobicContact CE1-CD1 4.4Å; Y132-L375 HydrophobicContact CE2-CB 3.68Å; Y132-L375 HydrophobicContact CE2-CD1 4.07Å; Y132-L375 HydrophobicContact CE2-CG 4.36Å; Y132-L375 HydrophobicContact CG-CD1 4.49Å
133N96.8Very high92.8Very high97 Ų9750 Ų5052%0.51924%0.243SC..EExtended strand (participates in β ladder)trans-93.7129.3169-65.9-34000108.7G106 T107G106-N133 VanDerWaalsContact CA-O 3.31Å; G106-N133 WeakPolarHBondContact CA-O 3.5Å; T107-N133 PolarHBondContact N-O 2.85Å; T107-N133 PolarHBondContact O-N 3.39Å
134W98Very high94Very high56 Ų5645.1 Ų45.121%0.21222%0.218CC..EExtended strand (participates in β ladder)trans-114137.1-169.5-6792.4000111.8R103 L105 G106 Y132 R348 I349 L375R103-W134 HydrophobicContact CB-CB 4.18Å; R103-W134 HydrophobicContact CB-CD2 4.07Å; R103-W134 HydrophobicContact CB-CE3 3.85Å; R103-W134 HydrophobicContact CB-CG 4.24Å; R103-W134 HydrophobicContact CG-CB 3.84Å; R103-W134 HydrophobicContact CG-CD2 4.34Å; R103-W134 HydrophobicContact CG-CG 4.02Å; L105-W134 CarbonylContact O-C 3.51Å; L105-W134 WeakPolarHBondContact O-CA 3.12Å; G106-W134 VanDerWaalsContact CA-CE3 3.4Å; Y132-W134 HydrophobicContact CD1-CZ2 4.37Å; Y132-W134 HydrophobicContact CG-CZ2 4.26Å; Y132-W134 VanDerWaalsContact O-CD1 3.3Å; W134-R348 HydrophobicContact CE3-CB 4.34Å; W134-R348 HydrophobicContact CH2-CB 4.03Å; W134-R348 HydrophobicContact CH2-CG 3.79Å; W134-R348 HydrophobicContact CZ3-CB 3.65Å; W134-R348 HydrophobicContact CZ3-CG 3.96Å; W134-I349 WeakPolarHBondContact CZ3-O 3.5Å; W134-L375 HydrophobicContact CH2-CD1 3.75Å; W134-L375 HydrophobicContact CZ2-CD1 3.7Å
135L98.4Very high95Very high44 Ų4443.2 Ų43.223%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-97.9138.8164.5-60.9174.7000109.1L104 L105 D139 V140 I174L104-L135 PolarHBondContact N-O 3.41Å; L105-L135 PolarHBondContact N-O 3.23Å; L105-L135 PolarHBondContact O-N 3.45Å; L135-D139 HydrophobicContact CB-CB 4.14Å; L135-D139 HydrophobicContact CD2-CB 4.22Å; L135-V140 HydrophobicContact CB-CG2 3.73Å; L135-V140 HydrophobicContact CD1-CG2 4.33Å; L135-I174 HydrophobicContact CD1-CD1 3.96Å
136S98.6Very high95.7Very high20 Ų2039 Ų3914%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-76.5167.2171.968.70000112.1K102 E138 D139 V140K102-S136 CarbonylContact O-C 3.56Å; K102-S136 WeakPolarHBondContact O-CA 3.41Å; K102-S136 WeakPolarHBondContact O-CB 3.36Å; S136-E138 PolarHBondContact O-N 3Å; S136-D139 WeakPolarHBondContact CB-OD2 3.46Å; S136-D139 PolarHBondContact N-OD2 3.27Å; S136-D139 PolarHBondContact O-N 3.48Å; S136-D139 PolarHBondContact OG-N 2.96Å; S136-D139 VanDerWaalsContact OG-N 3.15Å; S136-D139 PolarHBondContact OG-OD2 2.9Å; S136-V140 VanDerWaalsContact O-CG2 3.27Å; S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 3.08Å
137Y98.6Very high96.3Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-54.8-41.4171-86.7-96.1000112.2F92 A95 F99 K102 L104 F141 L343 G346 C347F92-Y137 HydrophobicContact CE2-CD1 4.5Å; A95-Y137 HydrophobicContact CB-CD1 4.36Å; A95-Y137 HydrophobicContact CB-CE1 3.89Å; F99-Y137 HydrophobicContact CB-CD1 4.41Å; F99-Y137 HydrophobicContact CB-CD2 3.7Å; F99-Y137 HydrophobicContact CB-CE1 4.45Å; F99-Y137 HydrophobicContact CB-CE2 3.77Å; F99-Y137 HydrophobicContact CB-CG 4.05Å; F99-Y137 HydrophobicContact CD2-CE1 4.44Å; F99-Y137 HydrophobicContact CG-CE2 4.5Å; F99-Y137 WeakPolarHBondContact O-CD2 3.42Å; K102-Y137 HydrophobicContact CB-CD2 4.21Å; K102-Y137 HydrophobicContact CB-CE2 4.46Å; K102-Y137 WeakPolarHBondContact O-CD2 3.15Å; K102-Y137 PolarHBondContact O-N 3.36Å; L104-Y137 HydrophobicContact CB-CD2 3.77Å; L104-Y137 HydrophobicContact CB-CE2 3.82Å; L104-Y137 HydrophobicContact CB-CG 4.14Å; L104-Y137 HydrophobicContact CD1-CE1 4.04Å; L104-Y137 HydrophobicContact CD1-CE2 4.02Å; L104-Y137 HydrophobicContact CD2-CD1 3.75Å; L104-Y137 HydrophobicContact CD2-CD2 4.46Å; L104-Y137 HydrophobicContact CD2-CE1 3.8Å; L104-Y137 HydrophobicContact CD2-CE2 4.49Å; L104-Y137 HydrophobicContact CD2-CG 4.09Å; L104-Y137 HydrophobicContact CG-CD2 4.5Å; L104-Y137 HydrophobicContact CG-CE1 4.33Å; L104-Y137 HydrophobicContact CG-CE2 4.29Å; Y137-F141 VanDerWaalsContact O-CB 3.3Å; Y137-F141 WeakPolarHBondContact O-CB 3.45Å; Y137-F141 PolarHBondContact O-N 2.9Å; Y137-L343 HydrophobicContact CE1-CG 4.29Å; Y137-L343 VanDerWaalsContact CE1-O 3.27Å; Y137-L343 WeakPolarHBondContact CE1-O 2.89Å; Y137-L343 PolarHBondContact OH-O 3.42Å; Y137-G346 WeakPolarHBondContact OH-CA 3.4Å; Y137-G346 PolarHBondContact OH-N 3.44Å; Y137-C347 PolarHBondContact OH-O 3.24Å
138E98.4Very high96.6Very high47 Ų4737.1 Ų37.122%0.2219%0.186CC..Hα-helixtrans-63.6-46.5175.7-174.373162.800111.6K96 K100 S136 V140 F141 V142K96-E138 VanDerWaalsContact CD-OE2 3.29Å; K96-E138 WeakPolarHBondContact CD-OE2 3.38Å; K100-E138 VanDerWaalsContact CE-OE1 3.29Å; K100-E138 WeakPolarHBondContact CE-OE1 3.49Å; K100-E138 WeakPolarHBondContact CE-OE2 3.09Å; K100-E138 HydrophobicContact CG-CB 3.92Å; K100-E138 HydrophobicContact CG-CG 4.41Å; K100-E138 IonicContact NZ-OE1 3.26Å; K100-E138 PolarHBondContact O-N 3.3Å; S136-E138 PolarHBondContact O-N 3Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 3.21Å; E138-F141 PolarHBondContact O-N 2.63Å; E138-V142 HydrophobicContact CG-CG2 4.37Å; E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 2.96Å
139D98.3Very high96.9Very high74 Ų7435.6 Ų35.640%0.39618%0.178SC..Hα-helixtrans-60-45.4-180-59.7-44.5000111L135 S136 F141 V142 R143L135-D139 HydrophobicContact CB-CB 4.14Å; L135-D139 HydrophobicContact CD2-CB 4.22Å; S136-D139 WeakPolarHBondContact CB-OD2 3.46Å; S136-D139 PolarHBondContact N-OD2 3.27Å; S136-D139 PolarHBondContact O-N 3.48Å; S136-D139 PolarHBondContact OG-N 2.96Å; S136-D139 VanDerWaalsContact OG-N 3.15Å; S136-D139 PolarHBondContact OG-OD2 2.9Å; D139-F141 VanDerWaalsContact C-N 3.34Å; D139-F141 PolarHBondContact O-N 3.42Å; D139-V142 PolarHBondContact O-N 2.87Å; D139-R143 WeakPolarHBondContact O-CB 3.15Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.5Å; D139-R143 PolarHBondContact O-N 3.12Å
140V98.6Very high97.1Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-63.2-42.2178.2176.80000110.5F92 L104 L105 L135 S136 E138 R143 A144 I174F92-V140 HydrophobicContact CE2-CG1 4.44Å; F92-V140 HydrophobicContact CZ-CB 4.38Å; F92-V140 HydrophobicContact CZ-CG1 3.83Å; L104-V140 HydrophobicContact CB-CG2 4.34Å; L104-V140 HydrophobicContact CD2-CB 4.07Å; L104-V140 HydrophobicContact CD2-CG1 3.98Å; L104-V140 HydrophobicContact CD2-CG2 4.06Å; L104-V140 HydrophobicContact CG-CG2 4.4Å; L105-V140 HydrophobicContact CB-CG2 4.3Å; L105-V140 HydrophobicContact CD1-CG1 4.01Å; L105-V140 HydrophobicContact CD1-CG2 3.84Å; L105-V140 HydrophobicContact CG-CG2 3.82Å; L135-V140 HydrophobicContact CB-CG2 3.73Å; L135-V140 HydrophobicContact CD1-CG2 4.33Å; S136-V140 VanDerWaalsContact O-CG2 3.27Å; S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 3.08Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 3.21Å; V140-R143 PolarHBondContact O-N 3.48Å; V140-A144 WeakPolarHBondContact O-CB 3.21Å; V140-A144 PolarHBondContact O-N 2.8Å; V140-I174 HydrophobicContact CG1-CG1 3.99Å
141F98.2Very high97.3Very high31 Ų3134 Ų3414%0.13617%0.168CC..Hα-helixtrans-64-46.7178-177.1-87.7000112F92 K96 Y137 E138 D139 R143 A144 L145 M181F92-F141 HydrophobicContact CD1-CD2 4.08Å; F92-F141 HydrophobicContact CE1-CB 4.18Å; F92-F141 AromaticContact CE1-CD2 3.77Å; F92-F141 HydrophobicContact CE1-CD2 3.77Å; F92-F141 HydrophobicContact CE1-CG 4.4Å; F92-F141 HydrophobicContact CZ-CB 3.87Å; F92-F141 HydrophobicContact CZ-CD2 4.13Å; K96-F141 HydrophobicContact CB-CD2 4.24Å; K96-F141 HydrophobicContact CD-CG 4.42Å; K96-F141 HydrophobicContact CG-CB 3.85Å; K96-F141 HydrophobicContact CG-CD2 4.16Å; K96-F141 HydrophobicContact CG-CG 3.99Å; Y137-F141 VanDerWaalsContact O-CB 3.3Å; Y137-F141 WeakPolarHBondContact O-CB 3.45Å; Y137-F141 PolarHBondContact O-N 2.9Å; E138-F141 PolarHBondContact O-N 2.63Å; D139-F141 VanDerWaalsContact C-N 3.34Å; D139-F141 PolarHBondContact O-N 3.42Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.23Å; F141-A144 PolarHBondContact O-N 3.11Å; F141-L145 WeakPolarHBondContact O-CB 3.26Å; F141-L145 PolarHBondContact O-N 3.37Å; F141-M181 HydrophobicContact CD2-CE 4.34Å; F141-M181 HydrophobicContact CE2-CE 3.78Å; F141-M181 HydrophobicContact CE2-SD 4.4Å; F141-M181 HydrophobicContact CZ-CE 3.87Å
142V97.5Very high97.3Very high59 Ų5929.4 Ų29.436%0.35815%0.146SC..Hα-helixtrans-62.5-43177.6170.80000110.8E138 D139 L145 N146E138-V142 HydrophobicContact CG-CG2 4.37Å; E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 2.96Å; D139-V142 PolarHBondContact O-N 2.87Å; V142-L145 PolarHBondContact O-N 2.78Å; V142-N146 WeakPolarHBondContact O-CB 3.48Å; V142-N146 VanDerWaalsContact O-CG 3.26Å; V142-N146 PolarHBondContact O-N 3.25Å; V142-N146 PolarHBondContact O-ND2 3.01Å
143R98.1Very high97.2Very high59 Ų5932 Ų3222%0.22316%0.16CC..Hα-helixtrans-63.5-45.1175.8-72.8-170.369.8-160-7.5112.2D139 V140 F141 L145 N146 F147 I174 E260D139-R143 WeakPolarHBondContact O-CB 3.15Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.5Å; D139-R143 PolarHBondContact O-N 3.12Å; V140-R143 PolarHBondContact O-N 3.48Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.23Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.44Å; R143-N146 PolarHBondContact O-N 2.83Å; R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.47Å; R143-I174 HydrophobicContact CB-CG2 3.92Å; R143-I174 VanDerWaalsContact NH1-CD1 3.35Å; R143-E260 IonicContact CZ-OE1 3.2Å; R143-E260 IonicContact CZ-OE2 3.07Å; R143-E260 IonicContact NE-OE1 2.73Å; R143-E260 PolarHBondContact NE-OE1 3.34Å; R143-E260 VanDerWaalsContact NE-OE1 3.13Å; R143-E260 IonicContact NE-OE2 2.67Å; R143-E260 PolarHBondContact NE-OE2 3.43Å; R143-E260 VanDerWaalsContact NE-OE2 3.14Å; R143-E260 IonicContact NH2-OE1 2.82Å; R143-E260 PolarHBondContact NH2-OE1 3.07Å; R143-E260 IonicContact NH2-OE2 2.86Å
144A97.9Very high97.1Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-62.1-41.2176.500000111.8F92 V140 F141 F147 G148 I174 Q177 A178 M181F92-A144 HydrophobicContact CE1-CB 4.33Å; V140-A144 WeakPolarHBondContact O-CB 3.21Å; V140-A144 PolarHBondContact O-N 2.8Å; F141-A144 PolarHBondContact O-N 3.11Å; A144-F147 PolarHBondContact O-N 3.33Å; A144-G148 PolarHBondContact O-N 2.89Å; A144-I174 HydrophobicContact CB-CG2 4.32Å; A144-Q177 HydrophobicContact CB-CB 4.01Å; A144-A178 HydrophobicContact CB-CB 4.33Å; A144-A178 VanDerWaalsContact O-CB 3.24Å; A144-A178 WeakPolarHBondContact O-CB 3.32Å; A144-M181 HydrophobicContact CB-SD 4.01Å
145L95.9Very high96.9Very high42 Ų4228.1 Ų28.122%0.2216%0.155CC..Hα-helixtrans-61.8-52.2176-175.273.9000111.4F141 V142 R143 F147 G148 N149 M181 Y182F141-L145 WeakPolarHBondContact O-CB 3.26Å; F141-L145 PolarHBondContact O-N 3.37Å; V142-L145 PolarHBondContact O-N 2.78Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.44Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 3.49Å; L145-G148 PolarHBondContact O-N 3.45Å; L145-N149 PolarHBondContact O-N 2.93Å; L145-N149 PolarHBondContact O-ND2 3.23Å; L145-M181 HydrophobicContact CB-CE 4.2Å; L145-M181 HydrophobicContact CD1-CE 3.9Å; L145-Y182 HydrophobicContact CD1-CE2 4.39Å; L145-Y182 VanDerWaalsContact CD1-OH 3.28Å; L145-Y182 WeakPolarHBondContact CD1-OH 3.1Å; L145-Y182 PolarHBondContact O-OH 3.14Å
146N97Very high96.8Very high31 Ų3126.2 Ų26.217%0.16615%0.145CC..Hα-helixtrans-61.8-41.9178.7-73.4-18.3000111.6V142 R143 G150 E260 G263V142-N146 WeakPolarHBondContact O-CB 3.48Å; V142-N146 VanDerWaalsContact O-CG 3.26Å; V142-N146 PolarHBondContact O-N 3.25Å; V142-N146 PolarHBondContact O-ND2 3.01Å; R143-N146 PolarHBondContact O-N 2.83Å; N146-G150 PolarHBondContact O-N 3.35Å; N146-E260 HydrophobicContact CB-CB 4.26Å; N146-G263 WeakPolarHBondContact O-CA 3.45Å
147F97.9Very high96.6Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-65-44.4178.5-171.5-120.3000111.8R143 A144 L145 G150 L151 A175 A178 I211 I235 M256 V259 E260R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.47Å; A144-F147 PolarHBondContact O-N 3.33Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 3.49Å; F147-G150 PolarHBondContact O-N 3.22Å; F147-L151 HydrophobicContact CD1-CD1 3.93Å; F147-L151 HydrophobicContact CD1-CG 4.47Å; F147-L151 HydrophobicContact CE1-CD1 3.61Å; F147-L151 HydrophobicContact CE1-CG 4.18Å; F147-L151 HydrophobicContact CE2-CD2 4.44Å; F147-L151 HydrophobicContact CE2-CG 4.4Å; F147-L151 HydrophobicContact CZ-CD1 4.03Å; F147-L151 HydrophobicContact CZ-CD2 4.09Å; F147-L151 HydrophobicContact CZ-CG 4.14Å; F147-L151 WeakPolarHBondContact O-CG 3.26Å; F147-L151 PolarHBondContact O-N 3.14Å; F147-A175 HydrophobicContact CD1-CB 4.28Å; F147-A175 HydrophobicContact CE1-CB 3.76Å; F147-A178 HydrophobicContact CB-CB 4.4Å; F147-A178 HydrophobicContact CD1-CB 3.85Å; F147-I211 HydrophobicContact CE1-CD1 3.65Å; F147-I211 HydrophobicContact CZ-CD1 3.73Å; F147-I211 HydrophobicContact CZ-CG1 4.14Å; F147-I235 HydrophobicContact CE2-CG2 3.99Å; F147-I235 HydrophobicContact CZ-CG2 4.13Å; F147-M256 HydrophobicContact CB-CE 4.44Å; F147-M256 HydrophobicContact CD1-CE 3.92Å; F147-M256 HydrophobicContact CD2-CE 4.13Å; F147-M256 HydrophobicContact CD2-CG 3.77Å; F147-M256 HydrophobicContact CE1-CE 4.16Å; F147-M256 HydrophobicContact CE2-CB 4.36Å; F147-M256 HydrophobicContact CE2-CE 4.38Å; F147-M256 HydrophobicContact CE2-CG 3.67Å; F147-M256 HydrophobicContact CG-CE 3.89Å; F147-M256 HydrophobicContact CG-CG 4.47Å; F147-M256 HydrophobicContact CZ-CE 4.39Å; F147-M256 HydrophobicContact CZ-CG 4.27Å; F147-V259 HydrophobicContact CD2-CB 3.99Å; F147-V259 HydrophobicContact CD2-CG1 3.72Å; F147-V259 HydrophobicContact CE2-CB 3.86Å; F147-V259 HydrophobicContact CE2-CG1 3.7Å; F147-E260 HydrophobicContact CB-CG 3.84Å; F147-E260 HydrophobicContact CD2-CG 4.09Å; F147-E260 HydrophobicContact CG-CG 4.4Å
148G96.3Very high96.4Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-62.6-43.1176.800000113.3A144 L145 G150 L151 Q152A144-G148 PolarHBondContact O-N 2.89Å; L145-G148 PolarHBondContact O-N 3.45Å; G148-G150 VanDerWaalsContact C-N 3.31Å; G148-G150 PolarHBondContact O-N 3.04Å; G148-L151 PolarHBondContact O-N 2.94Å; G148-Q152 PolarHBondContact O-N 2.82Å
149N95.8Very high96.2Very high8 Ų836.6 Ų36.64%0.04319%0.191CC..Hα-helixtrans-59-43.2171.7-78.9-35.3000111.4L145 L151 Q152 M153 Y182 S267L145-N149 PolarHBondContact O-N 2.93Å; L145-N149 PolarHBondContact O-ND2 3.23Å; N149-L151 PolarHBondContact O-N 2.77Å; N149-Q152 WeakPolarHBondContact O-CB 3.34Å; N149-Q152 PolarHBondContact O-N 2.87Å; N149-M153 WeakPolarHBondContact O-CG 3.27Å; N149-M153 PolarHBondContact O-N 3.46Å; N149-M153 VanDerWaalsContact O-N 3.07Å; N149-Y182 PolarHBondContact N-OH 3.24Å; N149-Y182 PolarHBondContact ND2-OH 3.22Å; N149-Y182 WeakPolarHBondContact OD1-CE1 3.46Å; N149-Y182 PolarHBondContact OD1-OH 2.91Å; N149-S267 WeakPolarHBondContact ND2-CB 3.33Å
150G96.6Very high96.1Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-62.8-41.2177.400000112.5N146 F147 G148 Q152 M153 L154 V259 G263N146-G150 PolarHBondContact O-N 3.35Å; F147-G150 PolarHBondContact O-N 3.22Å; G148-G150 VanDerWaalsContact C-N 3.31Å; G148-G150 PolarHBondContact O-N 3.04Å; G150-Q152 VanDerWaalsContact C-N 3.35Å; G150-Q152 PolarHBondContact O-N 2.88Å; G150-M153 WeakPolarHBondContact O-CB 3.45Å; G150-M153 PolarHBondContact O-N 2.97Å; G150-L154 WeakPolarHBondContact O-CG 3.45Å; G150-L154 PolarHBondContact O-N 3.01Å; G150-V259 WeakPolarHBondContact CA-O 3.42Å; G150-G263 VanDerWaalsContact N-CA 3.31Å
151L96.7Very high96.1Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-63.4-38.6174.8-71.7173.2000112.1F147 G148 N149 M153 L154 G155 Q156 I162 F184 I235 V259F147-L151 HydrophobicContact CD1-CD1 3.93Å; F147-L151 HydrophobicContact CD1-CG 4.47Å; F147-L151 HydrophobicContact CE1-CD1 3.61Å; F147-L151 HydrophobicContact CE1-CG 4.18Å; F147-L151 HydrophobicContact CE2-CD2 4.44Å; F147-L151 HydrophobicContact CE2-CG 4.4Å; F147-L151 HydrophobicContact CZ-CD1 4.03Å; F147-L151 HydrophobicContact CZ-CD2 4.09Å; F147-L151 HydrophobicContact CZ-CG 4.14Å; F147-L151 WeakPolarHBondContact O-CG 3.26Å; F147-L151 PolarHBondContact O-N 3.14Å; G148-L151 PolarHBondContact O-N 2.94Å; N149-L151 PolarHBondContact O-N 2.77Å; L151-M153 VanDerWaalsContact C-N 3.32Å; L151-M153 PolarHBondContact O-N 3.47Å; L151-L154 CarbonylContact O-C 3.58Å; L151-L154 PolarHBondContact O-N 2.83Å; L151-L154 VanDerWaalsContact O-N 3.15Å; L151-G155 PolarHBondContact O-N 2.75Å; L151-Q156 HydrophobicContact CB-CB 4.1Å; L151-Q156 VanDerWaalsContact O-CB 3.23Å; L151-Q156 WeakPolarHBondContact O-CB 3.13Å; L151-Q156 PolarHBondContact O-N 3.16Å; L151-I162 HydrophobicContact CD1-CD1 3.76Å; L151-I162 HydrophobicContact CD2-CD1 3.89Å; L151-I162 HydrophobicContact CG-CD1 4.44Å; L151-F184 HydrophobicContact CB-CE2 3.82Å; L151-F184 HydrophobicContact CB-CZ 4.38Å; L151-F184 HydrophobicContact CD1-CD2 4.22Å; L151-F184 HydrophobicContact CD1-CE2 4Å; L151-I235 HydrophobicContact CD2-CD1 4.2Å; L151-V259 HydrophobicContact CD2-CG1 4.41Å; L151-V259 HydrophobicContact CG-CG1 4.37Å
152Q94.1Very high96.1Very high30 Ų3034.9 Ų34.914%0.1419%0.185CC..Hα-helixtrans-61.3-40.6172.6-71-169.5-33.400112G148 N149 G150 L154 G155 Y182 F184G148-Q152 PolarHBondContact O-N 2.82Å; N149-Q152 WeakPolarHBondContact O-CB 3.34Å; N149-Q152 PolarHBondContact O-N 2.87Å; G150-Q152 VanDerWaalsContact C-N 3.35Å; G150-Q152 PolarHBondContact O-N 2.88Å; Q152-L154 PolarHBondContact O-N 3.26Å; Q152-G155 WeakPolarHBondContact O-CA 3.49Å; Q152-G155 PolarHBondContact O-N 3.44Å; Q152-Y182 HydrophobicContact CG-CD1 4.04Å; Q152-Y182 HydrophobicContact CG-CE1 4.45Å; Q152-F184 HydrophobicContact CG-CE1 4.36Å; Q152-F184 HydrophobicContact CG-CZ 3.72Å
153M93.6Very high96.2Very high73 Ų7332.1 Ų32.136%0.3617%0.168SC..Hα-helixtrans-64.8-28.3174.7-66.3-67.99600113N149 G150 L151 G155 L262 A266N149-M153 WeakPolarHBondContact O-CG 3.27Å; N149-M153 PolarHBondContact O-N 3.46Å; N149-M153 VanDerWaalsContact O-N 3.07Å; G150-M153 WeakPolarHBondContact O-CB 3.45Å; G150-M153 PolarHBondContact O-N 2.97Å; L151-M153 VanDerWaalsContact C-N 3.32Å; L151-M153 PolarHBondContact O-N 3.47Å; M153-G155 PolarHBondContact O-N 3.26Å; M153-L262 HydrophobicContact CB-CD1 4.42Å; M153-L262 HydrophobicContact CB-CD2 3.6Å; M153-L262 HydrophobicContact CB-CG 3.84Å; M153-L262 HydrophobicContact CG-CD2 4.47Å; M153-L262 HydrophobicContact CG-CG 4.18Å; M153-A266 HydrophobicContact CG-CB 3.79Å; M153-A266 HydrophobicContact SD-CB 3.87Å
154L94.6Very high96.2Very high26 Ų2629.3 Ų29.314%0.13616%0.158CC..THydrogen-bonded Turntrans-80.16169.2-61.7-176000113.3G150 L151 Q152 H233 V259 L262G150-L154 WeakPolarHBondContact O-CG 3.45Å; G150-L154 PolarHBondContact O-N 3.01Å; L151-L154 CarbonylContact O-C 3.58Å; L151-L154 PolarHBondContact O-N 2.83Å; L151-L154 VanDerWaalsContact O-N 3.15Å; Q152-L154 PolarHBondContact O-N 3.26Å; L154-H233 PolarHBondContact O-NE2 2.61Å; L154-V259 HydrophobicContact CD1-CG1 4.3Å; L154-V259 HydrophobicContact CD1-CG2 3.86Å; L154-L262 HydrophobicContact CD2-CD2 4.11Å; L154-L262 HydrophobicContact CG-CD2 4.41Å
155G93.4Very high96.1Very high47 Ų4729.3 Ų29.349%0.48516%0.158SC..THydrogen-bonded Turntrans889.8175.400000115.3L151 Q152 M153 K157L151-G155 PolarHBondContact O-N 2.75Å; Q152-G155 WeakPolarHBondContact O-CA 3.49Å; Q152-G155 PolarHBondContact O-N 3.44Å; M153-G155 PolarHBondContact O-N 3.26Å; G155-K157 PolarHBondContact O-N 2.97Å
156Q95.9Very high96.1Very high4 Ų427.5 Ų27.52%0.01915%0.149CC..  trans-67130.1172-171.866.122.600110.1L151 T160 N161 F184 N209L151-Q156 HydrophobicContact CB-CB 4.1Å; L151-Q156 VanDerWaalsContact O-CB 3.23Å; L151-Q156 WeakPolarHBondContact O-CB 3.13Å; L151-Q156 PolarHBondContact O-N 3.16Å; Q156-T160 PolarHBondContact NE2-O 3.35Å; Q156-T160 VanDerWaalsContact NE2-O 3.08Å; Q156-T160 PolarHBondContact NE2-OG1 3.06Å; Q156-N161 PolarHBondContact NE2-O 3.49Å; Q156-F184 HydrophobicContact CB-CE1 4.21Å; Q156-F184 HydrophobicContact CB-CE2 4.3Å; Q156-F184 HydrophobicContact CB-CZ 3.98Å; Q156-F184 HydrophobicContact CG-CD1 3.64Å; Q156-F184 HydrophobicContact CG-CD2 3.81Å; Q156-F184 HydrophobicContact CG-CE1 3.61Å; Q156-F184 HydrophobicContact CG-CE2 3.79Å; Q156-F184 HydrophobicContact CG-CG 3.74Å; Q156-F184 HydrophobicContact CG-CZ 3.67Å; Q156-N209 PolarHBondContact OE1-ND2 2.87Å
157K94.6Very high95.9Very high143 Ų14329.1 Ų29.162%0.62216%0.155SC*.  trans-110.9150.9-177.4-64.4-179.2-177.61800111.4G155 T160 F184G155-K157 PolarHBondContact O-N 2.97Å; K157-T160 HydrophobicContact CB-CG2 3.94Å; K157-T160 PolarHBondContact N-OG1 2.87Å; K157-T160 PolarHBondContact O-N 3.41Å; K157-T160 PolarHBondContact O-OG1 3.42Å; K157-F184 WeakPolarHBondContact O-CD1 3.22Å
158P94.8Very high95.8Very high45 Ų4530.2 Ų30.229%0.29216%0.162SC..THydrogen-bonded Turntrans-52.1145.7168.1-26.135.5000111.7T160 N183P158-T160 PolarHBondContact O-N 3.38Å; P158-N183 CarbonylContact C-O 3.4Å; P158-N183 WeakPolarHBondContact CA-O 3.27Å; P158-N183 HydrophobicContact CB-CB 4.38Å
159K95.2Very high95.8Very high97 Ų9732.2 Ų32.242%0.42217%0.17SC..THydrogen-bonded Turntrans5920.3-177.6-48.5-169.2-174.1-152.50114.9N183 Q185 D280K159-N183 PolarHBondContact N-O 2.98Å; K159-Q185 PolarHBondContact O-NE2 3.08Å; K159-Q185 PolarHBondContact O-OE1 3.07Å; K159-D280 WeakPolarHBondContact CE-OD1 3.41Å; K159-D280 IonicContact NZ-OD1 2.64Å; K159-D280 PolarHBondContact NZ-OD1 3.28Å; K159-D280 IonicContact NZ-OD2 3.67Å; K159-D280 PolarHBondContact NZ-OD2 2.97Å
160T96.6Very high95.9Very high54 Ų5432 Ų3233%0.33117%0.169SC..  trans-111.1150.2171.967.30000111Q156 K157 P158 Q185Q156-T160 PolarHBondContact NE2-O 3.35Å; Q156-T160 VanDerWaalsContact NE2-O 3.08Å; Q156-T160 PolarHBondContact NE2-OG1 3.06Å; K157-T160 HydrophobicContact CB-CG2 3.94Å; K157-T160 PolarHBondContact N-OG1 2.87Å; K157-T160 PolarHBondContact O-N 3.41Å; K157-T160 PolarHBondContact O-OG1 3.42Å; P158-T160 PolarHBondContact O-N 3.38Å; T160-Q185 PolarHBondContact O-N 3.48Å
161N98.3Very high95.9Very high15 Ų1533.4 Ų33.48%0.0818%0.176CC..EExtended strand (participates in β ladder)trans-73.6139-173.4-65.4-31000112Q156 Q185 V187 T205 V207 I284 Y540Q156-N161 PolarHBondContact NE2-O 3.49Å; N161-Q185 WeakPolarHBondContact CA-O 3.01Å; N161-Q185 VanDerWaalsContact OD1-CB 3.29Å; N161-Q185 WeakPolarHBondContact OD1-CB 3.41Å; N161-Q185 PolarHBondContact OD1-OE1 2.99Å; N161-V187 HydrophobicContact CB-CG2 3.86Å; N161-T205 WeakPolarHBondContact CB-O 3.47Å; N161-T205 PolarHBondContact ND2-O 3.47Å; N161-V207 HydrophobicContact CB-CG1 3.75Å; N161-I284 WeakPolarHBondContact OD1-CD1 3.47Å; N161-Y540 PolarHBondContact ND2-OH 2.89Å
162I98.4Very high96Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-135.6134.9170.1-179.3166.2000108.7L151 C179 F184 Q185 V187 N209 I211L151-I162 HydrophobicContact CD1-CD1 3.76Å; L151-I162 HydrophobicContact CD2-CD1 3.89Å; L151-I162 HydrophobicContact CG-CD1 4.44Å; I162-C179 VanDerWaalsContact CG2-SG 3.58Å; I162-F184 HydrophobicContact CG2-CB 3.76Å; I162-Q185 PolarHBondContact N-O 3.27Å; I162-V187 PolarHBondContact O-N 3.19Å; I162-N209 HydrophobicContact CD1-CB 3.92Å; I162-N209 HydrophobicContact CG1-CB 3.92Å; I162-I211 HydrophobicContact CD1-CD1 3.93Å; I162-I211 HydrophobicContact CD1-CG1 4.44Å; I162-I211 HydrophobicContact CG1-CD1 4.41Å
163A98.4Very high96.2Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-99.4139.7-175.600000112.7V187 L202 V207 N209 I210 I211A163-V187 CarbonylContact C-O 3.55Å; A163-V187 WeakPolarHBondContact CA-O 3.25Å; A163-V187 HydrophobicContact CB-CB 4.24Å; A163-L202 HydrophobicContact CB-CD2 3.56Å; A163-V207 HydrophobicContact CB-CB 4.43Å; A163-V207 HydrophobicContact CB-CG1 4.04Å; A163-V207 HydrophobicContact CB-CG2 4.08Å; A163-N209 PolarHBondContact N-O 3.29Å; A163-N209 VanDerWaalsContact N-O 3.09Å; A163-I210 HydrophobicContact CB-CB 4.42Å; A163-I210 HydrophobicContact CB-CG1 3.99Å; A163-I210 CarbonylContact O-C 3.57Å; A163-I210 WeakPolarHBondContact O-CA 3.38Å; A163-I211 PolarHBondContact O-N 3.35Å
164I98.4Very high96.5Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-111.3122161.2-59.5177.7000108.8C166 W172 A175 L186 V187 L189 I211I164-C166 HydrophobicContact CG2-CB 3.77Å; I164-W172 HydrophobicContact CD1-CD2 4.39Å; I164-W172 VanDerWaalsContact CG2-CD1 3.41Å; I164-W172 HydrophobicContact CG2-CD2 4.48Å; I164-W172 HydrophobicContact CG2-CG 4.12Å; I164-W172 VanDerWaalsContact CG2-NE1 3.27Å; I164-A175 HydrophobicContact CD1-CB 3.8Å; I164-L186 HydrophobicContact CB-CD1 4.13Å; I164-L186 HydrophobicContact CD1-CD1 3.4Å; I164-L186 VanDerWaalsContact CD1-CD1 3.4Å; I164-L186 HydrophobicContact CD1-CD2 4.27Å; I164-L186 HydrophobicContact CD1-CG 4.48Å; I164-L186 HydrophobicContact CG1-CD1 3.45Å; I164-L186 VanDerWaalsContact CG1-CD1 3.45Å; I164-V187 PolarHBondContact N-O 2.69Å; I164-L189 PolarHBondContact O-N 2.82Å; I164-L189 VanDerWaalsContact O-N 3.15Å; I164-I211 WeakPolarHBondContact CA-O 3.44Å; I164-I211 HydrophobicContact CG1-CB 4.13Å; I164-I211 HydrophobicContact CG1-CD1 4.05Å
165F96.4Very high96.7Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-125.581.3171.5176-111.4000107.9L189 Y190 A191 I198 I210 I211 T212 L216 K220 L221F165-L189 HydrophobicContact CB-CB 4.49Å; F165-L189 HydrophobicContact CD2-CB 3.98Å; F165-Y190 WeakPolarHBondContact CE2-O 3.48Å; F165-A191 WeakPolarHBondContact CZ-O 3.4Å; F165-I198 HydrophobicContact CD2-CD1 4.43Å; F165-I198 HydrophobicContact CD2-CG1 4.43Å; F165-I198 HydrophobicContact CE1-CD1 4.05Å; F165-I198 HydrophobicContact CE2-CD1 3.57Å; F165-I198 HydrophobicContact CE2-CG1 3.88Å; F165-I198 HydrophobicContact CZ-CD1 3.37Å; F165-I198 HydrophobicContact CZ-CG1 4.2Å; F165-I210 HydrophobicContact CB-CD1 3.97Å; F165-I210 HydrophobicContact CB-CG1 4.4Å; F165-I211 PolarHBondContact N-O 3.34Å; F165-T212 VanDerWaalsContact O-CA 3.24Å; F165-T212 WeakPolarHBondContact O-CA 3.48Å; F165-T212 VanDerWaalsContact O-CB 3.26Å; F165-T212 WeakPolarHBondContact O-CB 3.45Å; F165-T212 PolarHBondContact O-OG1 2.86Å; F165-L216 HydrophobicContact CD1-CB 4.12Å; F165-L216 HydrophobicContact CD1-CD1 4.1Å; F165-L216 HydrophobicContact CE1-CB 3.72Å; F165-L216 HydrophobicContact CE1-CD1 3.99Å; F165-L216 HydrophobicContact CE1-CD2 4.08Å; F165-L216 HydrophobicContact CE1-CG 4.15Å; F165-L216 HydrophobicContact CZ-CD1 4.35Å; F165-L216 HydrophobicContact CZ-CD2 4.1Å; F165-L216 WeakPolarHBondContact O-CD1 3.43Å; F165-K220 HydrophobicContact CE1-CB 3.87Å; F165-K220 HydrophobicContact CE1-CG 4.43Å; F165-K220 HydrophobicContact CZ-CB 3.95Å; F165-K220 HydrophobicContact CZ-CG 4.17Å; F165-L221 HydrophobicContact CD1-CD1 4.05Å; F165-L221 HydrophobicContact CD1-CD2 3.83Å; F165-L221 HydrophobicContact CD1-CG 3.88Å; F165-L221 HydrophobicContact CE1-CD2 4.04Å; F165-L221 HydrophobicContact CE1-CG 4Å
166C95.4Very high96.9Very high5 Ų525.1 Ų25.13%0.03412%0.122CC..  trans-150.4149-170-172.80000110.3I164I164-C166 HydrophobicContact CG2-CB 3.77Å
167E93.1Very high97Very high64 Ų6425 Ų2530%0.29912%0.122SC..  trans-63.4161.1169.6-56.886.416900111.4R169 A191 S213 L216E167-R169 WeakPolarHBondContact O-CG 3.5Å; E167-R169 PolarHBondContact O-N 3.08Å; E167-A191 HydrophobicContact CG-CB 4.01Å; E167-S213 VanDerWaalsContact OE2-CB 3.26Å; E167-S213 WeakPolarHBondContact OE2-CB 3.14Å; E167-S213 PolarHBondContact OE2-OG 3.18Å; E167-L216 VanDerWaalsContact OE1-CG 3.28Å; E167-L216 WeakPolarHBondContact OE1-CG 3.35Å; E167-L216 WeakPolarHBondContact OE2-CD1 3.42Å
168T94.6Very high97.2Very high23 Ų2318.1 Ų18.114%0.1419%0.092CC..SBendtrans-63.8119.2176-65.30000111.2L328 P329 L330 Y351T168-L328 WeakPolarHBondContact CB-O 3.24Å; T168-L328 WeakPolarHBondContact CG2-O 3.41Å; T168-L328 PolarHBondContact OG1-O 2.77Å; T168-P329 VanDerWaalsContact OG1-CA 3.29Å; T168-P329 WeakPolarHBondContact OG1-CA 3.47Å; T168-L330 HydrophobicContact CG2-CD1 3.81Å; T168-L330 HydrophobicContact CG2-CG 3.88Å; T168-L330 PolarHBondContact OG1-N 3.26Å; T168-Y351 HydrophobicContact CG2-CD1 3.68Å; T168-Y351 HydrophobicContact CG2-CE1 3.84Å
169R96.4Very high97.4Very high43 Ų4316 Ų1616%0.1628%0.078CC..SBendtrans-166.5168.7-178.363-169.8-68.7168.5-0.4111.4E167 E171 W172 M173 D238E167-R169 WeakPolarHBondContact O-CG 3.5Å; E167-R169 PolarHBondContact O-N 3.08Å; R169-E171 VanDerWaalsContact C-N 3.32Å; R169-E171 HydrophobicContact CG-CB 4.33Å; R169-E171 WeakPolarHBondContact CG-OE2 3.28Å; R169-E171 IonicContact CZ-OE1 3Å; R169-E171 IonicContact CZ-OE2 2.75Å; R169-E171 VanDerWaalsContact NE-CD 3.3Å; R169-E171 IonicContact NE-OE1 3.82Å; R169-E171 IonicContact NE-OE2 3.57Å; R169-E171 PolarHBondContact NE-OE2 3.3Å; R169-E171 VanDerWaalsContact NH2-CD 3.26Å; R169-E171 IonicContact NH2-OE1 2.9Å; R169-E171 PolarHBondContact NH2-OE1 3.05Å; R169-E171 IonicContact NH2-OE2 3.83Å; R169-E171 PolarHBondContact NH2-OE2 3.34Å; R169-E171 PolarHBondContact O-N 3.12Å; R169-W172 HydrophobicContact CG-CB 4.23Å; R169-W172 WeakPolarHBondContact O-CB 3.38Å; R169-W172 PolarHBondContact O-N 3.08Å; R169-W172 VanDerWaalsContact O-N 3.07Å; R169-M173 PolarHBondContact O-N 3.07Å; R169-D238 IonicContact CZ-OD2 3.89Å; R169-D238 IonicContact NH1-OD1 3.84Å; R169-D238 IonicContact NH1-OD2 3.76Å; R169-D238 PolarHBondContact NH1-OD2 3.19Å; R169-D238 IonicContact NH2-OD2 3.84Å
170A97.9Very high97.5Very high3 Ų311.4 Ų11.43%0.0256%0.058CC..Hα-helixtrans-57.3-41.6-178.500000113.8L105 W172 M173 I174 Y351L105-A170 HydrophobicContact CB-CB 3.93Å; L105-A170 HydrophobicContact CD1-CB 3.96Å; A170-W172 PolarHBondContact O-N 3.15Å; A170-M173 PolarHBondContact O-N 3.24Å; A170-M173 VanDerWaalsContact O-N 3.16Å; A170-I174 WeakPolarHBondContact O-CG1 3.43Å; A170-I174 PolarHBondContact O-N 3.08Å; A170-Y351 HydrophobicContact CB-CD2 3.87Å; A170-Y351 HydrophobicContact CB-CE2 3.65Å; A170-Y351 VanDerWaalsContact N-CD2 3.33Å
171E98.1Very high97.5Very high30 Ų309.2 Ų9.214%0.144%0.044CC..Hα-helixtrans-63.2-31.1179.6-63.488.8156.100112.3R169 A175 V237 M256R169-E171 VanDerWaalsContact C-N 3.32Å; R169-E171 HydrophobicContact CG-CB 4.33Å; R169-E171 WeakPolarHBondContact CG-OE2 3.28Å; R169-E171 IonicContact CZ-OE1 3Å; R169-E171 IonicContact CZ-OE2 2.75Å; R169-E171 VanDerWaalsContact NE-CD 3.3Å; R169-E171 IonicContact NE-OE1 3.82Å; R169-E171 IonicContact NE-OE2 3.57Å; R169-E171 PolarHBondContact NE-OE2 3.3Å; R169-E171 VanDerWaalsContact NH2-CD 3.26Å; R169-E171 IonicContact NH2-OE1 2.9Å; R169-E171 PolarHBondContact NH2-OE1 3.05Å; R169-E171 IonicContact NH2-OE2 3.83Å; R169-E171 PolarHBondContact NH2-OE2 3.34Å; R169-E171 PolarHBondContact O-N 3.12Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.49Å; E171-A175 PolarHBondContact O-N 2.92Å; E171-V237 HydrophobicContact CB-CB 3.81Å; E171-V237 HydrophobicContact CB-CG1 3.84Å; E171-V237 HydrophobicContact CG-CB 4.17Å; E171-M256 HydrophobicContact CB-SD 3.74Å; E171-M256 HydrophobicContact CG-SD 3.96Å
172W98.3Very high97.4Very high1 Ų18.5 Ų8.50%0.0044%0.041CC..Hα-helixtrans-62.1-50.2173.7-166.9115.7000110.1I164 R169 A170 A175 A176 L186 T188 L330 L336I164-W172 HydrophobicContact CD1-CD2 4.39Å; I164-W172 VanDerWaalsContact CG2-CD1 3.41Å; I164-W172 HydrophobicContact CG2-CD2 4.48Å; I164-W172 HydrophobicContact CG2-CG 4.12Å; I164-W172 VanDerWaalsContact CG2-NE1 3.27Å; R169-W172 HydrophobicContact CG-CB 4.23Å; R169-W172 WeakPolarHBondContact O-CB 3.38Å; R169-W172 PolarHBondContact O-N 3.08Å; R169-W172 VanDerWaalsContact O-N 3.07Å; A170-W172 PolarHBondContact O-N 3.15Å; W172-A175 PolarHBondContact O-N 2.96Å; W172-A176 HydrophobicContact CE3-CB 3.88Å; W172-A176 HydrophobicContact CH2-CB 4.32Å; W172-A176 HydrophobicContact CZ3-CB 3.54Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.24Å; W172-L186 HydrophobicContact CH2-CD2 4.21Å; W172-T188 HydrophobicContact CH2-CG2 4.04Å; W172-T188 HydrophobicContact CZ2-CG2 3.62Å; W172-L330 HydrophobicContact CB-CD1 3.81Å; W172-L330 HydrophobicContact CD2-CB 3.54Å; W172-L330 HydrophobicContact CD2-CD1 3.64Å; W172-L330 HydrophobicContact CD2-CG 4.13Å; W172-L330 HydrophobicContact CE3-CB 3.74Å; W172-L330 HydrophobicContact CE3-CD1 3.55Å; W172-L330 HydrophobicContact CE3-CD2 4.05Å; W172-L330 HydrophobicContact CE3-CG 3.99Å; W172-L330 HydrophobicContact CG-CB 4.08Å; W172-L330 HydrophobicContact CG-CD1 3.75Å; W172-L330 HydrophobicContact CH2-CB 3.96Å; W172-L330 WeakPolarHBondContact CH2-O 3.49Å; W172-L330 HydrophobicContact CZ2-CB 3.74Å; W172-L330 WeakPolarHBondContact CZ2-O 3.5Å; W172-L330 HydrophobicContact CZ3-CB 3.95Å; W172-L330 HydrophobicContact CZ3-CD1 4.33Å; W172-L330 HydrophobicContact CZ3-CD2 4.01Å; W172-L330 HydrophobicContact CZ3-CG 4.34Å; W172-L336 HydrophobicContact CH2-CD1 3.95Å; W172-L336 HydrophobicContact CZ3-CD1 3.77Å
173M98.6Very high97.3Very high0 Ų08.5 Ų8.50%04%0.041CC..Hα-helixtrans-66.4-39.3-180-175.655.567.400111.7L105 R169 A170 A175 A176 Q177 L330 L336 E339 L343 Y351L105-M173 HydrophobicContact CD1-CB 4.13Å; L105-M173 HydrophobicContact CD1-CG 4.35Å; L105-M173 HydrophobicContact CD2-CG 4.34Å; R169-M173 PolarHBondContact O-N 3.07Å; A170-M173 PolarHBondContact O-N 3.24Å; A170-M173 VanDerWaalsContact O-N 3.16Å; M173-A175 PolarHBondContact O-N 2.93Å; M173-A176 PolarHBondContact O-N 2.9Å; M173-Q177 WeakPolarHBondContact O-CG 3.5Å; M173-Q177 PolarHBondContact O-N 3.29Å; M173-Q177 HydrophobicContact SD-CG 4.31Å; M173-L330 HydrophobicContact CE-CD2 3.9Å; M173-L336 HydrophobicContact CE-CD1 4.36Å; M173-E339 HydrophobicContact CE-CB 3.66Å; M173-E339 HydrophobicContact CE-CG 4.44Å; M173-E339 WeakPolarHBondContact CE-OE2 3.31Å; M173-L343 HydrophobicContact CG-CD1 4.46Å; M173-L343 HydrophobicContact SD-CD1 4.48Å; M173-Y351 WeakPolarHBondContact CB-OH 3.12Å
174I98.8Very high97.3Very high0 Ų08.6 Ų8.60%04%0.041CC..Hα-helixtrans-59.3-46.9174.1-67.3163.5000110.8L105 L135 V140 R143 A144 A170 Q177 A178 M256L105-I174 HydrophobicContact CD1-CD1 4.31Å; L105-I174 HydrophobicContact CD1-CG1 3.89Å; L135-I174 HydrophobicContact CD1-CD1 3.96Å; V140-I174 HydrophobicContact CG1-CG1 3.99Å; R143-I174 HydrophobicContact CB-CG2 3.92Å; R143-I174 VanDerWaalsContact NH1-CD1 3.35Å; A144-I174 HydrophobicContact CB-CG2 4.32Å; A170-I174 WeakPolarHBondContact O-CG1 3.43Å; A170-I174 PolarHBondContact O-N 3.08Å; I174-Q177 PolarHBondContact O-N 2.97Å; I174-A178 PolarHBondContact O-N 2.87Å; I174-M256 HydrophobicContact CB-CE 3.97Å; I174-M256 HydrophobicContact CG2-CE 3.51Å
175A98.6Very high97.2Very high0 Ų09.9 Ų9.90%05%0.047CC..Hα-helixtrans-63.1-40.9177.200000112.2F147 I164 E171 W172 M173 A178 C179 I211 M256F147-A175 HydrophobicContact CD1-CB 4.28Å; F147-A175 HydrophobicContact CE1-CB 3.76Å; I164-A175 HydrophobicContact CD1-CB 3.8Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.49Å; E171-A175 PolarHBondContact O-N 2.92Å; W172-A175 PolarHBondContact O-N 2.96Å; M173-A175 PolarHBondContact O-N 2.93Å; A175-A178 WeakPolarHBondContact O-CB 3.4Å; A175-A178 PolarHBondContact O-N 2.86Å; A175-C179 PolarHBondContact O-N 2.99Å; A175-C179 PolarHBondContact O-SG 2.91Å; A175-I211 HydrophobicContact CB-CD1 3.88Å; A175-M256 HydrophobicContact CB-CE 4.44Å
176A98.6Very high97.3Very high0 Ų09.9 Ų9.90%05%0.047CC..Hα-helixtrans-63.4-45.2176.300000112W172 M173 A178 C179 F180 L186W172-A176 HydrophobicContact CE3-CB 3.88Å; W172-A176 HydrophobicContact CH2-CB 4.32Å; W172-A176 HydrophobicContact CZ3-CB 3.54Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.24Å; M173-A176 PolarHBondContact O-N 2.9Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.46Å; A176-C179 WeakPolarHBondContact O-CB 3.41Å; A176-C179 PolarHBondContact O-N 2.87Å; A176-C179 VanDerWaalsContact O-N 3.09Å; A176-F180 HydrophobicContact CB-CE2 4.02Å; A176-F180 HydrophobicContact CB-CZ 4.11Å; A176-F180 WeakPolarHBondContact O-CD2 3.49Å; A176-F180 WeakPolarHBondContact O-CG 3.3Å; A176-F180 PolarHBondContact O-N 3.39Å; A176-L186 HydrophobicContact CB-CD2 3.72Å
177Q98.5Very high97.5Very high1 Ų19.6 Ų9.61%0.0055%0.045CC..Hα-helixtrans-60.5-40.5174.9-67.1-56.2-29.600111.9F92 A144 M173 I174 C179 F180 M181F92-Q177 HydrophobicContact CD1-CB 3.92Å; F92-Q177 HydrophobicContact CD1-CG 3.96Å; F92-Q177 HydrophobicContact CE1-CB 3.79Å; F92-Q177 HydrophobicContact CE1-CG 3.92Å; F92-Q177 HydrophobicContact CG-CG 4.43Å; F92-Q177 HydrophobicContact CZ-CG 4.36Å; A144-Q177 HydrophobicContact CB-CB 4.01Å; M173-Q177 WeakPolarHBondContact O-CG 3.5Å; M173-Q177 PolarHBondContact O-N 3.29Å; M173-Q177 HydrophobicContact SD-CG 4.31Å; I174-Q177 PolarHBondContact O-N 2.97Å; Q177-C179 VanDerWaalsContact C-N 3.33Å; Q177-C179 PolarHBondContact O-N 3.46Å; Q177-F180 PolarHBondContact O-N 3.44Å; Q177-M181 WeakPolarHBondContact O-CB 3.43Å; Q177-M181 VanDerWaalsContact O-CG 3.23Å; Q177-M181 WeakPolarHBondContact O-CG 3.25Å; Q177-M181 PolarHBondContact O-N 3.3Å
178A97.9Very high97.7Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-59.9-43.5172.800000111.6A144 F147 I174 A175 A176 F180 M181 Y182A144-A178 HydrophobicContact CB-CB 4.33Å; A144-A178 VanDerWaalsContact O-CB 3.24Å; A144-A178 WeakPolarHBondContact O-CB 3.32Å; F147-A178 HydrophobicContact CB-CB 4.4Å; F147-A178 HydrophobicContact CD1-CB 3.85Å; I174-A178 PolarHBondContact O-N 2.87Å; A175-A178 WeakPolarHBondContact O-CB 3.4Å; A175-A178 PolarHBondContact O-N 2.86Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.46Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 2.92Å; A178-M181 PolarHBondContact O-N 3.41Å; A178-Y182 VanDerWaalsContact O-CD2 3.23Å; A178-Y182 WeakPolarHBondContact O-CD2 3.37Å; A178-Y182 PolarHBondContact O-N 2.96Å; A178-Y182 VanDerWaalsContact O-N 3.1Å
179C98.3Very high97.6Very high0 Ų05.5 Ų5.50%03%0.025CC..Hα-helixtrans-60.6-44.1176.1-63.30000111.6I162 A175 A176 Q177 Y182 N183 F184 L186I162-C179 VanDerWaalsContact CG2-SG 3.58Å; A175-C179 PolarHBondContact O-N 2.99Å; A175-C179 PolarHBondContact O-SG 2.91Å; A176-C179 WeakPolarHBondContact O-CB 3.41Å; A176-C179 PolarHBondContact O-N 2.87Å; A176-C179 VanDerWaalsContact O-N 3.09Å; Q177-C179 VanDerWaalsContact C-N 3.33Å; Q177-C179 PolarHBondContact O-N 3.46Å; C179-Y182 PolarHBondContact O-N 3.31Å; C179-N183 PolarHBondContact O-N 2.99Å; C179-F184 HydrophobicContact CB-CB 4.06Å; C179-F184 PolarHBondContact O-N 3.45Å; C179-L186 HydrophobicContact CB-CB 4.12Å
180F98.1Very high97.1Very high1 Ų13.9 Ų3.90%0.0042%0.018CC..Hα-helixtrans-65.3-41.8179.1-56.4-30.2000112.8L88 A176 Q177 A178 Y182 L186 A282 V283L88-F180 HydrophobicContact CB-CB 3.97Å; L88-F180 HydrophobicContact CB-CD2 3.97Å; L88-F180 HydrophobicContact CB-CG 3.97Å; L88-F180 HydrophobicContact CD1-CD1 3.84Å; L88-F180 HydrophobicContact CD1-CD2 3.81Å; L88-F180 HydrophobicContact CD1-CE1 3.88Å; L88-F180 HydrophobicContact CD1-CE2 3.84Å; L88-F180 HydrophobicContact CD1-CG 3.82Å; L88-F180 HydrophobicContact CD1-CZ 3.88Å; L88-F180 HydrophobicContact CG-CD2 4.47Å; A176-F180 HydrophobicContact CB-CE2 4.02Å; A176-F180 HydrophobicContact CB-CZ 4.11Å; A176-F180 WeakPolarHBondContact O-CD2 3.49Å; A176-F180 WeakPolarHBondContact O-CG 3.3Å; A176-F180 PolarHBondContact O-N 3.39Å; Q177-F180 PolarHBondContact O-N 3.44Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 2.92Å; F180-Y182 VanDerWaalsContact C-N 3.34Å; F180-Y182 PolarHBondContact O-N 2.85Å; F180-L186 HydrophobicContact CE1-CD2 4.21Å; F180-L186 HydrophobicContact CZ-CD2 4.2Å; F180-A282 HydrophobicContact CD1-CB 4.23Å; F180-A282 HydrophobicContact CE1-CB 4.15Å; F180-V283 HydrophobicContact CE1-CG2 3.73Å; F180-V283 HydrophobicContact CZ-CG2 4.02Å
181M96.2Very high96.5Very high8 Ų84.5 Ų4.54%0.0392%0.024CC..Hα-helixtrans-65.1-36.6179.1-70.8168.767.300112.7D89 F92 F141 A144 L145 Q177 A178 H273D89-M181 HydrophobicContact CB-CG 4.13Å; F92-M181 HydrophobicContact CD1-SD 4.04Å; F92-M181 HydrophobicContact CE1-SD 4.12Å; F141-M181 HydrophobicContact CD2-CE 4.34Å; F141-M181 HydrophobicContact CE2-CE 3.78Å; F141-M181 HydrophobicContact CE2-SD 4.4Å; F141-M181 HydrophobicContact CZ-CE 3.87Å; A144-M181 HydrophobicContact CB-SD 4.01Å; L145-M181 HydrophobicContact CB-CE 4.2Å; L145-M181 HydrophobicContact CD1-CE 3.9Å; Q177-M181 WeakPolarHBondContact O-CB 3.43Å; Q177-M181 VanDerWaalsContact O-CG 3.23Å; Q177-M181 WeakPolarHBondContact O-CG 3.25Å; Q177-M181 PolarHBondContact O-N 3.3Å; A178-M181 PolarHBondContact O-N 3.41Å; M181-H273 PolarHBondContact O-CD2 3.45Å
182Y96.3Very high95.5Very high0 Ų05.7 Ų5.70%03%0.033CC..THydrogen-bonded Turntrans-100.47.6-175.3-70.7-101.5000113.4L145 N149 Q152 A178 C179 F180 F184 H273L145-Y182 HydrophobicContact CD1-CE2 4.39Å; L145-Y182 VanDerWaalsContact CD1-OH 3.28Å; L145-Y182 WeakPolarHBondContact CD1-OH 3.1Å; L145-Y182 PolarHBondContact O-OH 3.14Å; N149-Y182 PolarHBondContact N-OH 3.24Å; N149-Y182 PolarHBondContact ND2-OH 3.22Å; N149-Y182 WeakPolarHBondContact OD1-CE1 3.46Å; N149-Y182 PolarHBondContact OD1-OH 2.91Å; Q152-Y182 HydrophobicContact CG-CD1 4.04Å; Q152-Y182 HydrophobicContact CG-CE1 4.45Å; A178-Y182 VanDerWaalsContact O-CD2 3.23Å; A178-Y182 WeakPolarHBondContact O-CD2 3.37Å; A178-Y182 PolarHBondContact O-N 2.96Å; A178-Y182 VanDerWaalsContact O-N 3.1Å; C179-Y182 PolarHBondContact O-N 3.31Å; F180-Y182 VanDerWaalsContact C-N 3.34Å; F180-Y182 PolarHBondContact O-N 2.85Å; Y182-F184 VanDerWaalsContact C-N 3.26Å; Y182-F184 HydrophobicContact CD1-CZ 4.39Å; Y182-F184 HydrophobicContact CG-CE2 4.25Å; Y182-F184 HydrophobicContact CG-CZ 4.22Å; Y182-F184 WeakPolarHBondContact O-CD1 3.47Å; Y182-F184 PolarHBondContact O-N 2.83Å; Y182-H273 HydrophobicContact CD1-CB 3.42Å; Y182-H273 VanDerWaalsContact CD1-CB 3.42Å; Y182-H273 AromaticContact CD1-CG 3.76Å; Y182-H273 HydrophobicContact CE1-CB 3.6Å; Y182-H273 AromaticContact CE1-CG 3.66Å; Y182-H273 AromaticContact CE1-ND1 3.72Å; Y182-H273 HydrophobicContact CG-CB 4.33Å
183N96.3Very high94.6Very high0 Ų06.3 Ų6.30%04%0.036CC..THydrogen-bonded Turntrans55.639.2-177.9-164.47.2000112.4P158 K159 C179 P276 D280P158-N183 CarbonylContact C-O 3.4Å; P158-N183 WeakPolarHBondContact CA-O 3.27Å; P158-N183 HydrophobicContact CB-CB 4.38Å; K159-N183 PolarHBondContact N-O 2.98Å; C179-N183 PolarHBondContact O-N 2.99Å; N183-P276 HydrophobicContact CB-CB 4.1Å; N183-D280 PolarHBondContact ND2-OD2 3.2Å
184F97.8Very high93.5Very high1 Ų18.1 Ų8.10%0.0046%0.055CC..  trans-84.9134.3169.9-53.6-32.2000109.4L151 Q152 Q156 K157 I162 C179 Y182 L186L151-F184 HydrophobicContact CB-CE2 3.82Å; L151-F184 HydrophobicContact CB-CZ 4.38Å; L151-F184 HydrophobicContact CD1-CD2 4.22Å; L151-F184 HydrophobicContact CD1-CE2 4Å; Q152-F184 HydrophobicContact CG-CE1 4.36Å; Q152-F184 HydrophobicContact CG-CZ 3.72Å; Q156-F184 HydrophobicContact CB-CE1 4.21Å; Q156-F184 HydrophobicContact CB-CE2 4.3Å; Q156-F184 HydrophobicContact CB-CZ 3.98Å; Q156-F184 HydrophobicContact CG-CD1 3.64Å; Q156-F184 HydrophobicContact CG-CD2 3.81Å; Q156-F184 HydrophobicContact CG-CE1 3.61Å; Q156-F184 HydrophobicContact CG-CE2 3.79Å; Q156-F184 HydrophobicContact CG-CG 3.74Å; Q156-F184 HydrophobicContact CG-CZ 3.67Å; K157-F184 WeakPolarHBondContact O-CD1 3.22Å; I162-F184 HydrophobicContact CG2-CB 3.76Å; C179-F184 HydrophobicContact CB-CB 4.06Å; C179-F184 PolarHBondContact O-N 3.45Å; Y182-F184 VanDerWaalsContact C-N 3.26Å; Y182-F184 HydrophobicContact CD1-CZ 4.39Å; Y182-F184 HydrophobicContact CG-CE2 4.25Å; Y182-F184 HydrophobicContact CG-CZ 4.22Å; Y182-F184 WeakPolarHBondContact O-CD1 3.47Å; Y182-F184 PolarHBondContact O-N 2.83Å; F184-L186 PolarHBondContact O-N 3.34Å; F184-L186 VanDerWaalsContact O-N 3.14Å
185Q98.1Very high92.8Very high27 Ų279 Ų913%0.1266%0.064CC..EExtended strand (participates in β ladder)trans-78104.1-178.6-68.9174.7-10.400108.9K159 T160 N161 I162 V187 I281K159-Q185 PolarHBondContact O-NE2 3.08Å; K159-Q185 PolarHBondContact O-OE1 3.07Å; T160-Q185 PolarHBondContact O-N 3.48Å; N161-Q185 WeakPolarHBondContact CA-O 3.01Å; N161-Q185 VanDerWaalsContact OD1-CB 3.29Å; N161-Q185 WeakPolarHBondContact OD1-CB 3.41Å; N161-Q185 PolarHBondContact OD1-OE1 2.99Å; I162-Q185 PolarHBondContact N-O 3.27Å; Q185-V187 PolarHBondContact O-N 2.91Å; Q185-I281 HydrophobicContact CG-CB 4.15Å; Q185-I281 HydrophobicContact CG-CG2 4.33Å
186L98.5Very high92Very high0 Ų014.1 Ų14.10%010%0.097CC..EExtended strand (participates in β ladder)trans-77.3110.4-173.5172.958.4000111I164 W172 A176 C179 F180 F184 T188 A282 V283 I284I164-L186 HydrophobicContact CB-CD1 4.13Å; I164-L186 HydrophobicContact CD1-CD1 3.4Å; I164-L186 VanDerWaalsContact CD1-CD1 3.4Å; I164-L186 HydrophobicContact CD1-CD2 4.27Å; I164-L186 HydrophobicContact CD1-CG 4.48Å; I164-L186 HydrophobicContact CG1-CD1 3.45Å; I164-L186 VanDerWaalsContact CG1-CD1 3.45Å; W172-L186 HydrophobicContact CH2-CD2 4.21Å; A176-L186 HydrophobicContact CB-CD2 3.72Å; C179-L186 HydrophobicContact CB-CB 4.12Å; F180-L186 HydrophobicContact CE1-CD2 4.21Å; F180-L186 HydrophobicContact CZ-CD2 4.2Å; F184-L186 PolarHBondContact O-N 3.34Å; F184-L186 VanDerWaalsContact O-N 3.14Å; L186-T188 HydrophobicContact CD1-CG2 4.3Å; L186-T188 HydrophobicContact CD2-CG2 4.11Å; L186-T188 HydrophobicContact CG-CG2 3.86Å; L186-A282 WeakPolarHBondContact CB-O 3.27Å; L186-A282 PolarHBondContact N-O 3.41Å; L186-V283 HydrophobicContact CB-CG2 4.49Å; L186-V283 HydrophobicContact CD2-CG2 4.46Å; L186-V283 CarbonylContact O-C 3.16Å; L186-V283 VanDerWaalsContact O-CA 3.25Å; L186-V283 WeakPolarHBondContact O-CA 3.34Å; L186-V283 WeakPolarHBondContact O-CG1 3.4Å; L186-I284 PolarHBondContact O-N 3.04Å
187V98.6Very high91.3Very high0 Ų015 Ų150%011%0.105CC..EExtended strand (participates in β ladder)trans-86.8125.5170.9-176.10000109N161 I162 A163 I164 Q185 T205 V207 I284 Y286N161-V187 HydrophobicContact CB-CG2 3.86Å; I162-V187 PolarHBondContact O-N 3.19Å; A163-V187 CarbonylContact C-O 3.55Å; A163-V187 WeakPolarHBondContact CA-O 3.25Å; A163-V187 HydrophobicContact CB-CB 4.24Å; I164-V187 PolarHBondContact N-O 2.69Å; Q185-V187 PolarHBondContact O-N 2.91Å; V187-T205 HydrophobicContact CG1-CG2 3.93Å; V187-T205 HydrophobicContact CG2-CG2 3.76Å; V187-V207 HydrophobicContact CG2-CG1 4.17Å; V187-I284 WeakPolarHBondContact CA-O 3.33Å; V187-I284 HydrophobicContact CG2-CB 4.21Å; V187-I284 HydrophobicContact CG2-CD1 4.24Å; V187-Y286 HydrophobicContact CG1-CD2 3.83Å; V187-Y286 HydrophobicContact CG1-CE2 3.67Å
188T97Very high90.9Very high0 Ų015 Ų150%011%0.105CC..EExtended strand (participates in β ladder)trans-113.2133.4178.859.80000111.3W172 L186 V283 I284 M285 Y286W172-T188 HydrophobicContact CH2-CG2 4.04Å; W172-T188 HydrophobicContact CZ2-CG2 3.62Å; L186-T188 HydrophobicContact CD1-CG2 4.3Å; L186-T188 HydrophobicContact CD2-CG2 4.11Å; L186-T188 HydrophobicContact CG-CG2 3.86Å; T188-V283 HydrophobicContact CG2-CG1 4.07Å; T188-I284 PolarHBondContact N-O 3.32Å; T188-M285 WeakPolarHBondContact OG1-CA 3.16Å; T188-Y286 WeakPolarHBondContact O-CB 3.33Å; T188-Y286 PolarHBondContact O-N 3.29Å
189L92.3Very high90.6Very high1 Ų116 Ų161%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-127.5137.6177.3-64.2173.3000108.6I164 F165 A191 L193 I198 L202 Y286I164-L189 PolarHBondContact O-N 2.82Å; I164-L189 VanDerWaalsContact O-N 3.15Å; F165-L189 HydrophobicContact CB-CB 4.49Å; F165-L189 HydrophobicContact CD2-CB 3.98Å; L189-A191 PolarHBondContact O-N 3.1Å; L189-L193 HydrophobicContact CB-CD1 4.14Å; L189-L193 HydrophobicContact CD2-CD1 4.02Å; L189-I198 HydrophobicContact CD1-CG2 4.32Å; L189-L202 HydrophobicContact CD1-CD2 3.71Å; L189-L202 HydrophobicContact CD1-CG 4.01Å; L189-Y286 HydrophobicContact CD2-CD1 4.5Å; L189-Y286 HydrophobicContact CD2-CD2 3.74Å; L189-Y286 HydrophobicContact CD2-CE2 4.45Å; L189-Y286 HydrophobicContact CD2-CG 3.76Å
190Y87.5Confident90.2Very high8 Ų818.3 Ų18.33%0.03112%0.122CC..  trans-66133.1175.6-67.9-105.5000109.8F165 T192 L193 Y286 P329 A331 H332 D696F165-Y190 WeakPolarHBondContact CE2-O 3.48Å; Y190-T192 PolarHBondContact O-N 3.03Å; Y190-L193 WeakPolarHBondContact O-CB 3.39Å; Y190-L193 WeakPolarHBondContact O-CG 3.39Å; Y190-L193 PolarHBondContact O-N 3.41Å; Y190-Y286 WeakPolarHBondContact CE2-O 3.29Å; Y190-P329 HydrophobicContact CD1-CB 3.88Å; Y190-P329 HydrophobicContact CD1-CG 4.22Å; Y190-P329 HydrophobicContact CE1-CB 3.97Å; Y190-P329 HydrophobicContact CE1-CG 4.29Å; Y190-A331 HydrophobicContact CD1-CB 4.38Å; Y190-A331 HydrophobicContact CD2-CB 4.26Å; Y190-A331 HydrophobicContact CG-CB 4.16Å; Y190-H332 HydrophobicContact CE1-CB 3.96Å; Y190-H332 VanDerWaalsContact OH-CB 3.28Å; Y190-H332 WeakPolarHBondContact OH-CB 3.26Å; Y190-H332 PolarHBondContact OH-CD2 3.08Å; Y190-D696 WeakPolarHBondContact CB-OD2 3.37Å; Y190-D696 HydrophobicContact CD1-CB 3.6Å; Y190-D696 HydrophobicContact CE1-CB 4.22Å; Y190-D696 HydrophobicContact CG-CB 4.06Å
191A84.8Confident89.9Confident17 Ų1718.3 Ų18.314%0.1412%0.121CC..THydrogen-bonded Turntrans-53.9-23.5176.400000114.1F165 E167 L189 L216F165-A191 WeakPolarHBondContact CZ-O 3.4Å; E167-A191 HydrophobicContact CG-CB 4.01Å; L189-A191 PolarHBondContact O-N 3.1Å; A191-L216 HydrophobicContact CB-CD1 3.66Å; A191-L216 HydrophobicContact CB-CD2 4.29Å; A191-L216 WeakPolarHBondContact O-CD2 3.5Å
192T77.1Confident89.9Confident54 Ų5418 Ų1833%0.33112%0.12SC..THydrogen-bonded Turntrans-91-6-176.735.40000113.8Y190 D696Y190-T192 PolarHBondContact O-N 3.03Å; T192-D696 WeakPolarHBondContact CB-OD1 3.4Å; T192-D696 WeakPolarHBondContact CB-OD2 3.39Å; T192-D696 WeakPolarHBondContact OG1-CB 2.86Å; T192-D696 PolarHBondContact OG1-OD1 2.92Å; T192-D696 PolarHBondContact OG1-OD2 3.44Å
193L78.6Confident89.8Confident14 Ų1420.8 Ų20.87%0.07314%0.135CC..  trans-58.3146.4177.6-71.8179.8000112L189 Y190 A197 I198L189-L193 HydrophobicContact CB-CD1 4.14Å; L189-L193 HydrophobicContact CD2-CD1 4.02Å; Y190-L193 WeakPolarHBondContact O-CB 3.39Å; Y190-L193 WeakPolarHBondContact O-CG 3.39Å; Y190-L193 PolarHBondContact O-N 3.41Å; L193-A197 HydrophobicContact CB-CB 4.33Å; L193-A197 HydrophobicContact CD1-CB 4.49Å; L193-A197 HydrophobicContact CD2-CB 4.31Å; L193-I198 HydrophobicContact CB-CD1 4.4Å; L193-I198 HydrophobicContact CB-CG1 3.79Å; L193-I198 WeakPolarHBondContact O-CD1 3.36Å
194G77Confident89.8Confident38 Ų3823 Ų2339%0.39215%0.145SC..  trans-74155.9171.100000112.3A197 I198G194-A197 WeakPolarHBondContact O-CB 3.43Å; G194-A197 PolarHBondContact O-N 3.33Å; G194-I198 WeakPolarHBondContact O-CG1 3.33Å; G194-I198 PolarHBondContact O-N 3.45Å; G194-I198 VanDerWaalsContact O-N 3.11Å
195G82.5Confident89.8Confident18 Ų1823 Ų2319%0.18615%0.146CC..Hα-helixtrans-46.2-51.5-178.600000114.9A197 I198 V199G195-A197 VanDerWaalsContact C-N 3.31Å; G195-A197 PolarHBondContact O-N 3.27Å; G195-I198 WeakPolarHBondContact O-CB 3.37Å; G195-I198 PolarHBondContact O-N 3.16Å; G195-I198 VanDerWaalsContact O-N 3.15Å; G195-V199 WeakPolarHBondContact O-CG2 3.47Å; G195-V199 PolarHBondContact O-N 3.33Å
196P83.3Confident89.7Confident109 Ų10925.5 Ų25.571%0.70816%0.157SC*.Hα-helixtrans-59.9-37.2179.8-26.435.4000114.3H200P196-H200 WeakPolarHBondContact O-CB 3.36Å; P196-H200 PolarHBondContact O-N 2.81Å
197A83.1Confident89.5Confident19 Ų1925.5 Ų25.516%0.15716%0.157CC..Hα-helixtrans-69.6-37.917800000111.6L193 G194 G195 H200 G201 P294L193-A197 HydrophobicContact CB-CB 4.33Å; L193-A197 HydrophobicContact CD1-CB 4.49Å; L193-A197 HydrophobicContact CD2-CB 4.31Å; G194-A197 WeakPolarHBondContact O-CB 3.43Å; G194-A197 PolarHBondContact O-N 3.33Å; G195-A197 VanDerWaalsContact C-N 3.31Å; G195-A197 PolarHBondContact O-N 3.27Å; A197-H200 PolarHBondContact O-N 3.42Å; A197-G201 PolarHBondContact O-N 3.03Å; A197-G201 VanDerWaalsContact O-N 3.09Å; A197-P294 HydrophobicContact CB-CG 3.95Å
198I89.3Confident89.4Confident0 Ų027.9 Ų27.90%017%0.171CC..Hα-helixtrans-64-49.8174.7-60.7163.2000109.9F165 L189 L193 G194 G195 H200 G201 L202 K220 L221 I224F165-I198 HydrophobicContact CD2-CD1 4.43Å; F165-I198 HydrophobicContact CD2-CG1 4.43Å; F165-I198 HydrophobicContact CE1-CD1 4.05Å; F165-I198 HydrophobicContact CE2-CD1 3.57Å; F165-I198 HydrophobicContact CE2-CG1 3.88Å; F165-I198 HydrophobicContact CZ-CD1 3.37Å; F165-I198 HydrophobicContact CZ-CG1 4.2Å; L189-I198 HydrophobicContact CD1-CG2 4.32Å; L193-I198 HydrophobicContact CB-CD1 4.4Å; L193-I198 HydrophobicContact CB-CG1 3.79Å; L193-I198 WeakPolarHBondContact O-CD1 3.36Å; G194-I198 WeakPolarHBondContact O-CG1 3.33Å; G194-I198 PolarHBondContact O-N 3.45Å; G194-I198 VanDerWaalsContact O-N 3.11Å; G195-I198 WeakPolarHBondContact O-CB 3.37Å; G195-I198 PolarHBondContact O-N 3.16Å; G195-I198 VanDerWaalsContact O-N 3.15Å; I198-H200 VanDerWaalsContact C-N 3.28Å; I198-H200 PolarHBondContact O-N 2.98Å; I198-G201 PolarHBondContact O-N 3.2Å; I198-L202 HydrophobicContact CG2-CD1 3.6Å; I198-L202 HydrophobicContact CG2-CG 4.09Å; I198-L202 VanDerWaalsContact O-CG 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.44Å; I198-L202 PolarHBondContact O-N 3.17Å; I198-K220 HydrophobicContact CD1-CB 4.31Å; I198-L221 HydrophobicContact CG2-CD2 3.95Å; I198-I224 HydrophobicContact CB-CD1 3.67Å; I198-I224 HydrophobicContact CD1-CD1 4.16Å; I198-I224 HydrophobicContact CG2-CD1 3.51Å
199V91.4Very high89.4Confident21 Ų2127.9 Ų27.913%0.12717%0.172CC..Hα-helixtrans-56.1-44.8177.6173.30000111.1G195 N203 I224 L227 V228G195-V199 WeakPolarHBondContact O-CG2 3.47Å; G195-V199 PolarHBondContact O-N 3.33Å; V199-N203 VanDerWaalsContact CG1-ND2 3.32Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.38Å; V199-N203 VanDerWaalsContact O-CB 3.27Å; V199-N203 WeakPolarHBondContact O-CB 3.43Å; V199-N203 PolarHBondContact O-N 3.4Å; V199-N203 PolarHBondContact O-ND2 3.47Å; V199-I224 HydrophobicContact CG2-CB 3.68Å; V199-I224 HydrophobicContact CG2-CD1 3.97Å; V199-I224 HydrophobicContact CG2-CG1 4.29Å; V199-I224 HydrophobicContact CG2-CG2 4.16Å; V199-L227 HydrophobicContact CG1-CB 3.97Å; V199-L227 HydrophobicContact CG2-CB 3.99Å; V199-L227 HydrophobicContact CG2-CD1 4.11Å; V199-V228 HydrophobicContact CG2-CG2 4.45Å
200H90.6Very high89.7Confident49 Ų4927.9 Ų27.923%0.22717%0.171CC..Hα-helixtrans-57.9-52.7177.1175.159.9000112P196 A197 I198 L202 N203 E204 L293 P294P196-H200 WeakPolarHBondContact O-CB 3.36Å; P196-H200 PolarHBondContact O-N 2.81Å; A197-H200 PolarHBondContact O-N 3.42Å; I198-H200 VanDerWaalsContact C-N 3.28Å; I198-H200 PolarHBondContact O-N 2.98Å; H200-L202 PolarHBondContact O-N 3.2Å; H200-N203 PolarHBondContact O-N 3.34Å; H200-E204 IonicContact CE1-OE1 3.48Å; H200-E204 VanDerWaalsContact O-CB 3.26Å; H200-E204 WeakPolarHBondContact O-CB 3.39Å; H200-E204 PolarHBondContact O-N 2.96Å; H200-L293 HydrophobicContact CB-CD2 4.42Å; H200-P294 PolarHBondContact NE2-O 3.29Å
201G92.3Very high90.2Very high0 Ų027.5 Ų27.50%017%0.17CC..Hα-helixtrans-63.3-43.1-178.700000113.2A197 I198 T205 Y286A197-G201 PolarHBondContact O-N 3.03Å; A197-G201 VanDerWaalsContact O-N 3.09Å; I198-G201 PolarHBondContact O-N 3.2Å; G201-T205 WeakPolarHBondContact O-CB 3.28Å; G201-T205 PolarHBondContact O-N 2.85Å; G201-T205 VanDerWaalsContact O-N 3.17Å; G201-T205 PolarHBondContact O-OG1 3.06Å; G201-Y286 PolarHBondContact O-OH 2.88Å
202L95.3Very high90.8Very high2 Ų226.7 Ų26.71%0.0116%0.163CC..Hα-helixtrans-67.5-38.8179.6-62.9176.8000112.5A163 L189 I198 H200 T205 E206 V207 I210 V228A163-L202 HydrophobicContact CB-CD2 3.56Å; L189-L202 HydrophobicContact CD1-CD2 3.71Å; L189-L202 HydrophobicContact CD1-CG 4.01Å; I198-L202 HydrophobicContact CG2-CD1 3.6Å; I198-L202 HydrophobicContact CG2-CG 4.09Å; I198-L202 VanDerWaalsContact O-CG 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.44Å; I198-L202 PolarHBondContact O-N 3.17Å; H200-L202 PolarHBondContact O-N 3.2Å; L202-T205 PolarHBondContact O-OG1 3.04Å; L202-E206 PolarHBondContact O-N 3.49Å; L202-E206 VanDerWaalsContact O-N 3.08Å; L202-V207 HydrophobicContact CB-CG2 4.1Å; L202-V207 HydrophobicContact CD2-CG2 3.58Å; L202-V207 HydrophobicContact CG-CG2 4.41Å; L202-V207 PolarHBondContact O-N 2.87Å; L202-I210 HydrophobicContact CD1-CD1 3.93Å; L202-I210 HydrophobicContact CD2-CD1 3.8Å; L202-V228 HydrophobicContact CB-CG1 3.79Å; L202-V228 HydrophobicContact CB-CG2 4.21Å; L202-V228 HydrophobicContact CD1-CG1 4.37Å; L202-V228 HydrophobicContact CD1-CG2 4.01Å
203N95.6Very high91.6Very high59 Ų5924.2 Ų24.232%0.31615%0.148SC..Hα-helixtrans-74.9-41.6178.5-78-29.8000112.6V199 H200 T205 E206 L227 P229V199-N203 VanDerWaalsContact CG1-ND2 3.32Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.38Å; V199-N203 VanDerWaalsContact O-CB 3.27Å; V199-N203 WeakPolarHBondContact O-CB 3.43Å; V199-N203 PolarHBondContact O-N 3.4Å; V199-N203 PolarHBondContact O-ND2 3.47Å; H200-N203 PolarHBondContact O-N 3.34Å; N203-T205 VanDerWaalsContact C-N 3.28Å; N203-T205 PolarHBondContact O-N 3.05Å; N203-E206 PolarHBondContact O-N 2.86Å; N203-E206 VanDerWaalsContact O-N 3.14Å; N203-L227 PolarHBondContact ND2-O 3.28Å; N203-P229 WeakPolarHBondContact OD1-CD 3.17Å
204E95.9Very high92.2Very high47 Ų4727.4 Ų27.422%0.2216%0.161CC..Hα-helixtrans-60.8-40.8178.2-177.1176.5-113.800111.1H200 E206 Y286 Y540 K541H200-E204 IonicContact CE1-OE1 3.48Å; H200-E204 VanDerWaalsContact O-CB 3.26Å; H200-E204 WeakPolarHBondContact O-CB 3.39Å; H200-E204 PolarHBondContact O-N 2.96Å; E204-E206 VanDerWaalsContact C-N 3.35Å; E204-Y286 WeakPolarHBondContact OE2-CE1 3.45Å; E204-Y286 PolarHBondContact OE2-OH 2.98Å; E204-Y540 HydrophobicContact CG-CD1 4.23Å; E204-Y540 WeakPolarHBondContact O-CE1 3.4Å; E204-K541 HydrophobicContact CG-CD 4.39Å; E204-K541 PolarHBondContact O-NZ 2.82Å
205T96.5Very high92.8Very high1 Ų131.2 Ų31.21%0.00617%0.169CC..THydrogen-bonded Turntrans-85.1-2.9177.256.60000114.7N161 V187 G201 L202 N203 V207 I284 Y286 Y540N161-T205 WeakPolarHBondContact CB-O 3.47Å; N161-T205 PolarHBondContact ND2-O 3.47Å; V187-T205 HydrophobicContact CG1-CG2 3.93Å; V187-T205 HydrophobicContact CG2-CG2 3.76Å; G201-T205 WeakPolarHBondContact O-CB 3.28Å; G201-T205 PolarHBondContact O-N 2.85Å; G201-T205 VanDerWaalsContact O-N 3.17Å; G201-T205 PolarHBondContact O-OG1 3.06Å; L202-T205 PolarHBondContact O-OG1 3.04Å; N203-T205 VanDerWaalsContact C-N 3.28Å; N203-T205 PolarHBondContact O-N 3.05Å; T205-V207 PolarHBondContact O-N 2.94Å; T205-V207 VanDerWaalsContact O-N 3.13Å; T205-V207 WeakPolarHBondContact OG1-CG1 3.22Å; T205-I284 HydrophobicContact CG2-CG2 4.44Å; T205-Y286 HydrophobicContact CG2-CE2 3.71Å; T205-Y286 VanDerWaalsContact CG2-OH 3.31Å; T205-Y286 WeakPolarHBondContact CG2-OH 3.37Å; T205-Y540 HydrophobicContact CG2-CD1 4.14Å; T205-Y540 HydrophobicContact CG2-CE1 4.02Å
206E96.1Very high93.2Very high78 Ų7830.8 Ų30.836%0.36416%0.162SC..THydrogen-bonded Turntrans53.533.2174.8-61175.5-154.800114.1L202 N203 E204 R230 K541L202-E206 PolarHBondContact O-N 3.49Å; L202-E206 VanDerWaalsContact O-N 3.08Å; N203-E206 PolarHBondContact O-N 2.86Å; N203-E206 VanDerWaalsContact O-N 3.14Å; E204-E206 VanDerWaalsContact C-N 3.35Å; E206-R230 IonicContact OE2-CZ 2.74Å; E206-R230 IonicContact OE2-NH1 3.26Å; E206-R230 PolarHBondContact OE2-NH1 3.47Å; E206-R230 IonicContact OE2-NH2 2.7Å; E206-R230 PolarHBondContact OE2-NH2 2.97Å; E206-K541 IonicContact OE1-NZ 3.84Å; E206-K541 PolarHBondContact OE1-NZ 3.21Å
207V95.9Very high93.6Very high0 Ų025.6 Ų25.60%013%0.129CC..  trans-66.4143.7-175.2-62.30000112.8N161 A163 V187 L202 T205N161-V207 HydrophobicContact CB-CG1 3.75Å; A163-V207 HydrophobicContact CB-CB 4.43Å; A163-V207 HydrophobicContact CB-CG1 4.04Å; A163-V207 HydrophobicContact CB-CG2 4.08Å; V187-V207 HydrophobicContact CG2-CG1 4.17Å; L202-V207 HydrophobicContact CB-CG2 4.1Å; L202-V207 HydrophobicContact CD2-CG2 3.58Å; L202-V207 HydrophobicContact CG-CG2 4.41Å; L202-V207 PolarHBondContact O-N 2.87Å; T205-V207 PolarHBondContact O-N 2.94Å; T205-V207 VanDerWaalsContact O-N 3.13Å; T205-V207 WeakPolarHBondContact OG1-CG1 3.22Å
208T96.1Very high93.9Very high50 Ų5028.6 Ų28.631%0.30714%0.14SC..SBendtrans-103.4-24173.453.70000112.6R232 H233T208-R232 PolarHBondContact O-N 2.86Å; T208-H233 PolarHBondContact O-N 2.96Å
209N97.4Very high93.7Very high1 Ų132.4 Ų32.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-121.4132.9-178.5-66.5-83.2000109.7Q156 I162 A163 H233 I235Q156-N209 PolarHBondContact OE1-ND2 2.87Å; I162-N209 HydrophobicContact CD1-CB 3.92Å; I162-N209 HydrophobicContact CG1-CB 3.92Å; A163-N209 PolarHBondContact N-O 3.29Å; A163-N209 VanDerWaalsContact N-O 3.09Å; N209-H233 WeakPolarHBondContact CA-O 3.49Å; N209-H233 VanDerWaalsContact OD1-CB 3.22Å; N209-H233 WeakPolarHBondContact OD1-CB 3.46Å; N209-H233 PolarHBondContact OD1-CD2 3.26Å; N209-H233 VanDerWaalsContact OD1-CD2 3.26Å; N209-I235 HydrophobicContact CB-CD1 4.33Å
210I97.4Very high93.5Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-128.5136.8171.7-168.4172.7000110.9A163 F165 L202 L221 L231 H233 I234 I235A163-I210 HydrophobicContact CB-CB 4.42Å; A163-I210 HydrophobicContact CB-CG1 3.99Å; A163-I210 CarbonylContact O-C 3.57Å; A163-I210 WeakPolarHBondContact O-CA 3.38Å; F165-I210 HydrophobicContact CB-CD1 3.97Å; F165-I210 HydrophobicContact CB-CG1 4.4Å; L202-I210 HydrophobicContact CD1-CD1 3.93Å; L202-I210 HydrophobicContact CD2-CD1 3.8Å; I210-L221 HydrophobicContact CD1-CD1 3.98Å; I210-L221 HydrophobicContact CD1-CD2 4.09Å; I210-L231 HydrophobicContact CB-CD1 3.97Å; I210-L231 HydrophobicContact CG2-CD1 3.69Å; I210-L231 HydrophobicContact CG2-CD2 4.07Å; I210-L231 HydrophobicContact CG2-CG 4.46Å; I210-H233 PolarHBondContact N-O 3.32Å; I210-I234 HydrophobicContact CG2-CB 4.18Å; I210-I234 HydrophobicContact CG2-CG1 3.8Å; I210-I234 HydrophobicContact CG2-CG2 4.17Å; I210-I234 CarbonylContact O-C 3.59Å; I210-I234 WeakPolarHBondContact O-CA 3.27Å; I210-I235 WeakPolarHBondContact O-CD1 3.28Å; I210-I235 PolarHBondContact O-N 2.98Å
211I98.3Very high93.5Very high0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-108.1129.2175.7-56.6162.7000108.2F147 I162 A163 I164 F165 A175 I235 V237F147-I211 HydrophobicContact CE1-CD1 3.65Å; F147-I211 HydrophobicContact CZ-CD1 3.73Å; F147-I211 HydrophobicContact CZ-CG1 4.14Å; I162-I211 HydrophobicContact CD1-CD1 3.93Å; I162-I211 HydrophobicContact CD1-CG1 4.44Å; I162-I211 HydrophobicContact CG1-CD1 4.41Å; A163-I211 PolarHBondContact O-N 3.35Å; I164-I211 WeakPolarHBondContact CA-O 3.44Å; I164-I211 HydrophobicContact CG1-CB 4.13Å; I164-I211 HydrophobicContact CG1-CD1 4.05Å; F165-I211 PolarHBondContact N-O 3.34Å; A175-I211 HydrophobicContact CB-CD1 3.88Å; I211-I235 CarbonylContact C-O 3.53Å; I211-I235 WeakPolarHBondContact CA-O 3.34Å; I211-I235 HydrophobicContact CG1-CB 4.16Å; I211-I235 HydrophobicContact CG1-CD1 4.26Å; I211-V237 HydrophobicContact CG2-CG1 3.6Å
212T97Very high93.2Very high0 Ų038 Ų380%019%0.185CC..EExtended strand (participates in β ladder)trans-152.5164.2-172.2-165.10000112.4F165 L217 L221 I234 I235 T236 V237F165-T212 VanDerWaalsContact O-CA 3.24Å; F165-T212 WeakPolarHBondContact O-CA 3.48Å; F165-T212 VanDerWaalsContact O-CB 3.26Å; F165-T212 WeakPolarHBondContact O-CB 3.45Å; F165-T212 PolarHBondContact O-OG1 2.86Å; T212-L217 HydrophobicContact CG2-CB 4.05Å; T212-L221 HydrophobicContact CG2-CD1 3.75Å; T212-I234 HydrophobicContact CG2-CG2 3.87Å; T212-I235 PolarHBondContact N-O 2.99Å; T212-T236 CarbonylContact O-C 3.49Å; T212-T236 VanDerWaalsContact O-CA 3.25Å; T212-T236 WeakPolarHBondContact O-CA 3.37Å; T212-V237 PolarHBondContact O-N 3.47Å
213S94.6Very high92.7Very high2 Ų243.6 Ų43.61%0.01422%0.215CC..  trans-81.5157.6169.764.90000111E167 E215 L216 L217 D238E167-S213 VanDerWaalsContact OE2-CB 3.26Å; E167-S213 WeakPolarHBondContact OE2-CB 3.14Å; E167-S213 PolarHBondContact OE2-OG 3.18Å; S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 3.26Å; S213-L216 PolarHBondContact O-N 3.46Å; S213-L216 WeakPolarHBondContact OG-CB 3.4Å; S213-L216 WeakPolarHBondContact OG-CD1 3.3Å; S213-L216 VanDerWaalsContact OG-CG 3.27Å; S213-L216 WeakPolarHBondContact OG-CG 3.46Å; S213-L216 PolarHBondContact OG-N 3.13Å; S213-L217 WeakPolarHBondContact O-CB 3.5Å; S213-L217 PolarHBondContact O-N 3.42Å; S213-D238 WeakPolarHBondContact CA-OD1 3.41Å
214K91.1Very high92.4Very high81 Ų8141.6 Ų41.635%0.35220%0.204SC..Hα-helixtrans-55.1-48173.6178.4-174.6172.3-167.70110.2L216 L217 Q218 D238K214-L216 PolarHBondContact O-N 3.02Å; K214-L217 WeakPolarHBondContact O-CB 3.49Å; K214-L217 PolarHBondContact O-N 3.47Å; K214-Q218 VanDerWaalsContact O-CG 3.27Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 3.26Å; K214-Q218 VanDerWaalsContact O-N 3.11Å; K214-D238 WeakPolarHBondContact CB-OD1 3.5Å; K214-D238 PolarHBondContact N-OD1 3.21Å
215E89.2Confident92Very high118 Ų11839.6 Ų39.655%0.55120%0.195SC*.Hα-helixtrans-55.4-54-178.2-175170.2176.800111.4S213 L217 Q218 T219S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 3.26Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 2.92Å; E215-Q218 WeakPolarHBondContact O-CA 3.43Å; E215-Q218 PolarHBondContact O-N 3.29Å; E215-T219 HydrophobicContact CG-CG2 4.39Å; E215-T219 WeakPolarHBondContact O-CG2 3.32Å; E215-T219 PolarHBondContact O-N 3.02Å; E215-T219 PolarHBondContact O-OG1 3.48Å
216L91.8Very high91.7Very high9 Ų943.5 Ų43.55%0.04722%0.223CC..Hα-helixtrans-63.3-33.6179.3-69.2177.1000113.7F165 E167 A191 S213 K214 Q218 K220 L221F165-L216 HydrophobicContact CD1-CB 4.12Å; F165-L216 HydrophobicContact CD1-CD1 4.1Å; F165-L216 HydrophobicContact CE1-CB 3.72Å; F165-L216 HydrophobicContact CE1-CD1 3.99Å; F165-L216 HydrophobicContact CE1-CD2 4.08Å; F165-L216 HydrophobicContact CE1-CG 4.15Å; F165-L216 HydrophobicContact CZ-CD1 4.35Å; F165-L216 HydrophobicContact CZ-CD2 4.1Å; F165-L216 WeakPolarHBondContact O-CD1 3.43Å; E167-L216 VanDerWaalsContact OE1-CG 3.28Å; E167-L216 WeakPolarHBondContact OE1-CG 3.35Å; E167-L216 WeakPolarHBondContact OE2-CD1 3.42Å; A191-L216 HydrophobicContact CB-CD1 3.66Å; A191-L216 HydrophobicContact CB-CD2 4.29Å; A191-L216 WeakPolarHBondContact O-CD2 3.5Å; S213-L216 PolarHBondContact O-N 3.46Å; S213-L216 WeakPolarHBondContact OG-CB 3.4Å; S213-L216 WeakPolarHBondContact OG-CD1 3.3Å; S213-L216 VanDerWaalsContact OG-CG 3.27Å; S213-L216 WeakPolarHBondContact OG-CG 3.46Å; S213-L216 PolarHBondContact OG-N 3.13Å; K214-L216 PolarHBondContact O-N 3.02Å; L216-Q218 VanDerWaalsContact C-N 3.29Å; L216-Q218 PolarHBondContact O-N 2.7Å; L216-K220 HydrophobicContact CD2-CG 4.17Å; L216-K220 WeakPolarHBondContact O-CA 3.46Å; L216-K220 WeakPolarHBondContact O-CB 3.21Å; L216-K220 PolarHBondContact O-N 3.16Å; L216-L221 PolarHBondContact O-N 3.01Å
217L91.5Very high91.5Very high0 Ų044.5 Ų44.50%023%0.23CC..Iπ-helixtrans-58.9-43.7171.7178.357.4000111T212 S213 K214 E215 L221 K222 I234 T236 P242 W244 F247 V253T212-L217 HydrophobicContact CG2-CB 4.05Å; S213-L217 WeakPolarHBondContact O-CB 3.5Å; S213-L217 PolarHBondContact O-N 3.42Å; K214-L217 WeakPolarHBondContact O-CB 3.49Å; K214-L217 PolarHBondContact O-N 3.47Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 2.92Å; L217-L221 HydrophobicContact CD1-CB 3.98Å; L217-L221 HydrophobicContact CD1-CD1 4.27Å; L217-K222 WeakPolarHBondContact O-CB 3.48Å; L217-K222 PolarHBondContact O-N 3.49Å; L217-I234 HydrophobicContact CD1-CD1 4.02Å; L217-I234 HydrophobicContact CD1-CG2 3.95Å; L217-I234 HydrophobicContact CD2-CG2 4.19Å; L217-T236 HydrophobicContact CD2-CG2 3.56Å; L217-P242 HydrophobicContact CD2-CG 3.88Å; L217-W244 HydrophobicContact CD1-CZ3 4.36Å; L217-W244 HydrophobicContact CG-CH2 4.05Å; L217-W244 HydrophobicContact CG-CZ3 4.08Å; L217-F247 HydrophobicContact CD1-CE1 4.3Å; L217-F247 HydrophobicContact CD1-CZ 4.35Å; L217-F247 HydrophobicContact CD2-CZ 4.49Å; L217-V253 HydrophobicContact CD2-CG1 4.28Å
218Q88Confident91.3Very high83 Ų8344.7 Ų44.739%0.38823%0.231SC..Iπ-helixtrans-73.3-43-179.8-52.7-163.3-35.400113.4K214 E215 L216 W244K214-Q218 VanDerWaalsContact O-CG 3.27Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 3.26Å; K214-Q218 VanDerWaalsContact O-N 3.11Å; E215-Q218 WeakPolarHBondContact O-CA 3.43Å; E215-Q218 PolarHBondContact O-N 3.29Å; L216-Q218 VanDerWaalsContact C-N 3.29Å; L216-Q218 PolarHBondContact O-N 2.7Å; Q218-W244 HydrophobicContact CB-CH2 4.17Å; Q218-W244 HydrophobicContact CB-CZ2 4.04Å; Q218-W244 HydrophobicContact CG-CH2 3.86Å; Q218-W244 HydrophobicContact CG-CZ2 3.56Å
219T86.2Confident91.1Very high80 Ų8047 Ų4749%0.49125%0.247SC..Iπ-helixtrans-93.2-19.3-168.958.40000114E215E215-T219 HydrophobicContact CG-CG2 4.39Å; E215-T219 WeakPolarHBondContact O-CG2 3.32Å; E215-T219 PolarHBondContact O-N 3.02Å; E215-T219 PolarHBondContact O-OG1 3.48Å
220K87.8Confident90.9Very high74 Ų7453 Ų5332%0.32227%0.27SS..Iπ-helixtrans-131.9-46.6-171.7-61.1-69.6-176.9171.90113.7F165 I198 L216 I224F165-K220 HydrophobicContact CE1-CB 3.87Å; F165-K220 HydrophobicContact CE1-CG 4.43Å; F165-K220 HydrophobicContact CZ-CB 3.95Å; F165-K220 HydrophobicContact CZ-CG 4.17Å; I198-K220 HydrophobicContact CD1-CB 4.31Å; L216-K220 HydrophobicContact CD2-CG 4.17Å; L216-K220 WeakPolarHBondContact O-CA 3.46Å; L216-K220 WeakPolarHBondContact O-CB 3.21Å; L216-K220 PolarHBondContact O-N 3.16Å; K220-I224 WeakPolarHBondContact O-CG1 3.4Å
221L89.2Confident90.8Very high4 Ų453.3 Ų53.32%0.02127%0.271CS..Iπ-helixtrans-80.2-38.9-173.7-65.8179.4000112.9F165 I198 I210 T212 L216 L217 D223 I224 V225F165-L221 HydrophobicContact CD1-CD1 4.05Å; F165-L221 HydrophobicContact CD1-CD2 3.83Å; F165-L221 HydrophobicContact CD1-CG 3.88Å; F165-L221 HydrophobicContact CE1-CD2 4.04Å; F165-L221 HydrophobicContact CE1-CG 4Å; I198-L221 HydrophobicContact CG2-CD2 3.95Å; I210-L221 HydrophobicContact CD1-CD1 3.98Å; I210-L221 HydrophobicContact CD1-CD2 4.09Å; T212-L221 HydrophobicContact CG2-CD1 3.75Å; L216-L221 PolarHBondContact O-N 3.01Å; L217-L221 HydrophobicContact CD1-CB 3.98Å; L217-L221 HydrophobicContact CD1-CD1 4.27Å; L221-D223 PolarHBondContact O-N 3.32Å; L221-D223 VanDerWaalsContact O-N 3.07Å; L221-I224 HydrophobicContact CD2-CD1 4.09Å; L221-I224 HydrophobicContact CD2-CG1 4.46Å; L221-I224 VanDerWaalsContact O-CG1 3.28Å; L221-I224 WeakPolarHBondContact O-CG1 3.45Å; L221-I224 PolarHBondContact O-N 3.22Å; L221-V225 HydrophobicContact CB-CG2 4.23Å; L221-V225 WeakPolarHBondContact O-CG2 3.27Å; L221-V225 PolarHBondContact O-N 3.5Å
222K86.6Confident90.6Very high110 Ų11059.3 Ų59.348%0.47829%0.294SS..THydrogen-bonded Turntrans-45.4-46.6-175.2-176-174.7175.2-168.80113.2L217 I224 W244L217-K222 WeakPolarHBondContact O-CB 3.48Å; L217-K222 PolarHBondContact O-N 3.49Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 2.72Å; K222-W244 HydrophobicContact CB-CH2 4Å; K222-W244 HydrophobicContact CB-CZ3 3.9Å; K222-W244 HydrophobicContact CD-CE3 4.29Å; K222-W244 HydrophobicContact CD-CH2 3.89Å; K222-W244 HydrophobicContact CD-CZ2 4.12Å; K222-W244 HydrophobicContact CD-CZ3 3.95Å; K222-W244 HydrophobicContact CG-CE3 4.22Å; K222-W244 HydrophobicContact CG-CH2 4.07Å; K222-W244 HydrophobicContact CG-CZ3 3.74Å
223D84.8Confident90.5Very high119 Ų11960.7 Ų60.764%0.63630%0.3SS*.THydrogen-bonded Turntrans-80.7-10.6-173.6-57-30.8000113.7L221L221-D223 PolarHBondContact O-N 3.32Å; L221-D223 VanDerWaalsContact O-N 3.07Å
224I88.7Confident90.6Very high16 Ų1660.6 Ų60.68%0.08230%0.299CS..THydrogen-bonded Turntrans-118.5-9-175.167.5170.3000114.1I198 V199 K220 L221 K222 S226 L227I198-I224 HydrophobicContact CB-CD1 3.67Å; I198-I224 HydrophobicContact CD1-CD1 4.16Å; I198-I224 HydrophobicContact CG2-CD1 3.51Å; V199-I224 HydrophobicContact CG2-CB 3.68Å; V199-I224 HydrophobicContact CG2-CD1 3.97Å; V199-I224 HydrophobicContact CG2-CG1 4.29Å; V199-I224 HydrophobicContact CG2-CG2 4.16Å; K220-I224 WeakPolarHBondContact O-CG1 3.4Å; L221-I224 HydrophobicContact CD2-CD1 4.09Å; L221-I224 HydrophobicContact CD2-CG1 4.46Å; L221-I224 VanDerWaalsContact O-CG1 3.28Å; L221-I224 WeakPolarHBondContact O-CG1 3.45Å; L221-I224 PolarHBondContact O-N 3.22Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 2.72Å; I224-S226 PolarHBondContact O-N 3.32Å; I224-L227 WeakPolarHBondContact O-CA 3.46Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.46Å
225V88.5Confident90.9Very high6 Ų656.7 Ų56.74%0.03628%0.283CS..G310 helixtrans-57.6-34.2-178.4167.50000111.8L221 L227 V228 L231 I234 P248 V251L221-V225 HydrophobicContact CB-CG2 4.23Å; L221-V225 WeakPolarHBondContact O-CG2 3.27Å; L221-V225 PolarHBondContact O-N 3.5Å; V225-L227 PolarHBondContact O-N 2.93Å; V225-V228 PolarHBondContact O-N 3.47Å; V225-V228 VanDerWaalsContact O-N 3.16Å; V225-L231 HydrophobicContact CG1-CD2 4.26Å; V225-L231 HydrophobicContact CG2-CD2 4.37Å; V225-I234 HydrophobicContact CG2-CD1 3.94Å; V225-P248 HydrophobicContact CG1-CG 3.95Å; V225-V251 HydrophobicContact CG1-CG1 4.49Å; V225-V251 HydrophobicContact CG1-CG2 4.08Å
226S89.4Confident91.2Very high83 Ų8351.1 Ų51.158%0.5826%0.257SS*.G310 helixtrans-64.4-22175.556.60000113.8I224 V228I224-S226 PolarHBondContact O-N 3.32Å; S226-V228 VanDerWaalsContact C-N 3.32Å
227L92Very high91.3Very high98 Ų9851.4 Ų51.451%0.51326%0.258SS..G310 helixtrans-88.40.3178.6-54.1176.7000112.8V199 N203 I224 V225 P229V199-L227 HydrophobicContact CG1-CB 3.97Å; V199-L227 HydrophobicContact CG2-CB 3.99Å; V199-L227 HydrophobicContact CG2-CD1 4.11Å; N203-L227 PolarHBondContact ND2-O 3.28Å; I224-L227 WeakPolarHBondContact O-CA 3.46Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.46Å; V225-L227 PolarHBondContact O-N 2.93Å; L227-P229 WeakPolarHBondContact O-CD 3.41Å
228V92.7Very high91.1Very high4 Ų454 Ų542%0.02427%0.272CS..  trans-119.177-179.5-169.60000109.3V199 L202 V225 S226 R230 L231V199-V228 HydrophobicContact CG2-CG2 4.45Å; L202-V228 HydrophobicContact CB-CG1 3.79Å; L202-V228 HydrophobicContact CB-CG2 4.21Å; L202-V228 HydrophobicContact CD1-CG1 4.37Å; L202-V228 HydrophobicContact CD1-CG2 4.01Å; V225-V228 PolarHBondContact O-N 3.47Å; V225-V228 VanDerWaalsContact O-N 3.16Å; S226-V228 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 2.84Å; V228-R230 VanDerWaalsContact O-N 3.09Å; V228-L231 HydrophobicContact CB-CB 4.31Å; V228-L231 HydrophobicContact CG1-CB 3.94Å; V228-L231 WeakPolarHBondContact O-CB 3.5Å; V228-L231 PolarHBondContact O-N 2.85Å; V228-L231 VanDerWaalsContact O-N 3.1Å
229P90.5Very high90.5Very high99 Ų9952.4 Ų52.464%0.64328%0.278SS*.THydrogen-bonded Turntrans-66.4-18.8-165.625.8-36.3000114.8N203 L227N203-P229 WeakPolarHBondContact OD1-CD 3.17Å; L227-P229 WeakPolarHBondContact O-CD 3.41Å
230R93.8Very high89.7Confident128 Ų12857.2 Ų57.248%0.48329%0.292SS..THydrogen-bonded Turntrans-86.6-13.3178.8-70.4-168.8172.6-151.310.9113.8E206 V228 R232E206-R230 IonicContact OE2-CZ 2.74Å; E206-R230 IonicContact OE2-NH1 3.26Å; E206-R230 PolarHBondContact OE2-NH1 3.47Å; E206-R230 IonicContact OE2-NH2 2.7Å; E206-R230 PolarHBondContact OE2-NH2 2.97Å; V228-R230 PolarHBondContact O-N 2.84Å; V228-R230 VanDerWaalsContact O-N 3.09Å; R230-R232 PolarHBondContact O-N 2.78Å
231L94.9Very high88.5Confident6 Ų656.4 Ų56.43%0.03129%0.294CS..  trans-66.4129.6-177.7-169.666000110.3I210 V225 V228 I234I210-L231 HydrophobicContact CB-CD1 3.97Å; I210-L231 HydrophobicContact CG2-CD1 3.69Å; I210-L231 HydrophobicContact CG2-CD2 4.07Å; I210-L231 HydrophobicContact CG2-CG 4.46Å; V225-L231 HydrophobicContact CG1-CD2 4.26Å; V225-L231 HydrophobicContact CG2-CD2 4.37Å; V228-L231 HydrophobicContact CB-CB 4.31Å; V228-L231 HydrophobicContact CG1-CB 3.94Å; V228-L231 WeakPolarHBondContact O-CB 3.5Å; V228-L231 PolarHBondContact O-N 2.85Å; V228-L231 VanDerWaalsContact O-N 3.1Å; L231-I234 HydrophobicContact CD2-CD1 4.14Å; L231-I234 HydrophobicContact CD2-CG1 3.92Å; L231-I234 HydrophobicContact CG-CG1 4.46Å
232R94.6Very high87.3Confident125 Ų12557.1 Ų57.147%0.47230%0.3SS..  trans-120.1-37.2-179.7-60.6-56.6-175.2178.7-0.8112.3T208 R230 V251 I252T208-R232 PolarHBondContact O-N 2.86Å; R230-R232 PolarHBondContact O-N 2.78Å; R232-V251 CarbonylContact O-C 3.55Å; R232-V251 WeakPolarHBondContact O-CA 3.5Å; R232-I252 PolarHBondContact O-N 2.79Å
233H95.6Very high85.8Confident29 Ų2959.1 Ų59.113%0.13432%0.321CS..EExtended strand (participates in β ladder)trans-129.5131.6-176.4-58.3-64.2000111.7L154 T208 N209 I210 I235 I252 H254L154-H233 PolarHBondContact O-NE2 2.61Å; T208-H233 PolarHBondContact O-N 2.96Å; N209-H233 WeakPolarHBondContact CA-O 3.49Å; N209-H233 VanDerWaalsContact OD1-CB 3.22Å; N209-H233 WeakPolarHBondContact OD1-CB 3.46Å; N209-H233 PolarHBondContact OD1-CD2 3.26Å; N209-H233 VanDerWaalsContact OD1-CD2 3.26Å; I210-H233 PolarHBondContact N-O 3.32Å; H233-I235 HydrophobicContact CB-CD1 4.23Å; H233-I252 WeakPolarHBondContact CA-O 3.43Å; H233-H254 AromaticContact CE1-NE2 3.94Å; H233-H254 AromaticContact ND1-CD2 3.81Å; H233-H254 AromaticContact ND1-NE2 3.26Å; H233-H254 PolarHBondContact ND1-NE2 2.7Å
234I95.5Very high84.7Confident0 Ų056.9 Ų56.90%030%0.304CS..EExtended strand (participates in β ladder)trans-112120.6169.9-58.8176000107.2I210 T212 L217 V225 L231 F247 V251 I252 V253 H254I210-I234 HydrophobicContact CG2-CB 4.18Å; I210-I234 HydrophobicContact CG2-CG1 3.8Å; I210-I234 HydrophobicContact CG2-CG2 4.17Å; I210-I234 CarbonylContact O-C 3.59Å; I210-I234 WeakPolarHBondContact O-CA 3.27Å; T212-I234 HydrophobicContact CG2-CG2 3.87Å; L217-I234 HydrophobicContact CD1-CD1 4.02Å; L217-I234 HydrophobicContact CD1-CG2 3.95Å; L217-I234 HydrophobicContact CD2-CG2 4.19Å; V225-I234 HydrophobicContact CG2-CD1 3.94Å; L231-I234 HydrophobicContact CD2-CD1 4.14Å; L231-I234 HydrophobicContact CD2-CG1 3.92Å; L231-I234 HydrophobicContact CG-CG1 4.46Å; I234-F247 HydrophobicContact CD1-CD1 4.38Å; I234-F247 HydrophobicContact CD1-CE1 3.9Å; I234-V251 HydrophobicContact CD1-CG1 3.75Å; I234-V251 HydrophobicContact CG1-CG1 3.91Å; I234-I252 PolarHBondContact N-O 2.94Å; I234-V253 HydrophobicContact CB-CG2 4.27Å; I234-V253 CarbonylContact O-C 3.57Å; I234-V253 VanDerWaalsContact O-CA 3.29Å; I234-V253 WeakPolarHBondContact O-CA 3.42Å; I234-H254 PolarHBondContact O-N 2.92Å
235I96.9Very high83.1Confident0 Ų062 Ų620%034%0.341CS..EExtended strand (participates in β ladder)trans-106.7113.9178.8-56.891.9000108.5F147 L151 N209 I210 I211 T212 H233 H254 M256 V259F147-I235 HydrophobicContact CE2-CG2 3.99Å; F147-I235 HydrophobicContact CZ-CG2 4.13Å; L151-I235 HydrophobicContact CD2-CD1 4.2Å; N209-I235 HydrophobicContact CB-CD1 4.33Å; I210-I235 WeakPolarHBondContact O-CD1 3.28Å; I210-I235 PolarHBondContact O-N 2.98Å; I211-I235 CarbonylContact C-O 3.53Å; I211-I235 WeakPolarHBondContact CA-O 3.34Å; I211-I235 HydrophobicContact CG1-CB 4.16Å; I211-I235 HydrophobicContact CG1-CD1 4.26Å; T212-I235 PolarHBondContact N-O 2.99Å; H233-I235 HydrophobicContact CB-CD1 4.23Å; I235-H254 HydrophobicContact CG1-CB 4.46Å; I235-M256 HydrophobicContact CG2-CB 4.2Å; I235-V259 HydrophobicContact CG1-CG2 4.23Å; I235-V259 HydrophobicContact CG2-CG2 4.24Å
236T95.9Very high81.8Confident1 Ų170.1 Ų70.11%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-85.6128.4174.951.90000110.8T212 L217 D238 V253 H254 T255 M256T212-T236 CarbonylContact O-C 3.49Å; T212-T236 VanDerWaalsContact O-CA 3.25Å; T212-T236 WeakPolarHBondContact O-CA 3.37Å; L217-T236 HydrophobicContact CD2-CG2 3.56Å; T236-D238 VanDerWaalsContact C-N 3.33Å; T236-V253 HydrophobicContact CG2-CG1 4.12Å; T236-H254 PolarHBondContact N-O 3.45Å; T236-H254 PolarHBondContact OG1-O 3.24Å; T236-T255 CarbonylContact O-C 3.54Å; T236-T255 WeakPolarHBondContact O-CA 3.49Å; T236-M256 PolarHBondContact O-N 3.48Å
237V94.7Very high80.8Confident14 Ų1468.5 Ų68.59%0.08536%0.361CS..SBendtrans-78.6-17.6178.9-65.70000113.3E171 I211 T212 M256E171-V237 HydrophobicContact CB-CB 3.81Å; E171-V237 HydrophobicContact CB-CG1 3.84Å; E171-V237 HydrophobicContact CG-CB 4.17Å; I211-V237 HydrophobicContact CG2-CG1 3.6Å; T212-V237 PolarHBondContact O-N 3.47Å; V237-M256 HydrophobicContact CG1-SD 4.12Å
238D87.1Confident79.9Confident55 Ų5566.3 Ų66.329%0.29435%0.353SS..SBendtrans-146.2161.8-17857.5-7.5000113.8R169 S213 K214 T236R169-D238 IonicContact CZ-OD2 3.89Å; R169-D238 IonicContact NH1-OD1 3.84Å; R169-D238 IonicContact NH1-OD2 3.76Å; R169-D238 PolarHBondContact NH1-OD2 3.19Å; R169-D238 IonicContact NH2-OD2 3.84Å; S213-D238 WeakPolarHBondContact CA-OD1 3.41Å; K214-D238 WeakPolarHBondContact CB-OD1 3.5Å; K214-D238 PolarHBondContact N-OD1 3.21Å; T236-D238 VanDerWaalsContact C-N 3.33Å
239G76.2Confident78.9Confident49 Ų4976.3 Ų76.351%0.50540%0.396SS..SBendtrans70176.5-179.800000114.3
240K68.1Low78.4Confident181 Ų18173.8 Ų73.879%0.78739%0.388SS*.PPolyproline II helixtrans-78.2148167.9-67.5-176.7-179.9179.70109.1
241P63.4Low78.3Confident57 Ų5768.7 Ų68.737%0.3737%0.371SS..PPolyproline II helixtrans-52.6134.7172.1-2132.1000109T243 V253 T255P241-T243 PolarHBondContact O-N 3.39Å; P241-V253 HydrophobicContact CB-CG1 4.26Å; P241-T255 HydrophobicContact CG-CG2 3.63Å
242P62.9Low78.1Confident20 Ų2072.6 Ų72.613%0.1339%0.391CS..PPolyproline II helixtrans-61.3133178.123.3-30.6000110.3L217 W244L217-P242 HydrophobicContact CD2-CG 3.88Å; P242-W244 HydrophobicContact CB-CD2 3.7Å; P242-W244 VanDerWaalsContact CB-CE2 3.5Å; P242-W244 HydrophobicContact CB-CE3 4.33Å; P242-W244 HydrophobicContact CB-CG 3.93Å; P242-W244 HydrophobicContact CB-CH2 4.46Å; P242-W244 HydrophobicContact CB-CZ2 3.95Å; P242-W244 HydrophobicContact CG-CD2 3.95Å; P242-W244 HydrophobicContact CG-CE3 4.07Å; P242-W244 HydrophobicContact CG-CG 4.5Å; P242-W244 HydrophobicContact CG-CH2 4.21Å; P242-W244 HydrophobicContact CG-CZ2 4.2Å; P242-W244 HydrophobicContact CG-CZ3 4.17Å; P242-W244 PolarHBondContact O-N 2.7Å
243T55.9Low78Confident151 Ų15168 Ų6893%0.92638%0.377SS*.  trans-77.675.4170.4-25.30000108.4P241P241-T243 PolarHBondContact O-N 3.39Å
244W62.3Low77.9Confident72 Ų7268.6 Ų68.627%0.27338%0.379SS..  trans-105.1139.4175.9-66-16.3000110.4L217 Q218 K222 P242 F247L217-W244 HydrophobicContact CD1-CZ3 4.36Å; L217-W244 HydrophobicContact CG-CH2 4.05Å; L217-W244 HydrophobicContact CG-CZ3 4.08Å; Q218-W244 HydrophobicContact CB-CH2 4.17Å; Q218-W244 HydrophobicContact CB-CZ2 4.04Å; Q218-W244 HydrophobicContact CG-CH2 3.86Å; Q218-W244 HydrophobicContact CG-CZ2 3.56Å; K222-W244 HydrophobicContact CB-CH2 4Å; K222-W244 HydrophobicContact CB-CZ3 3.9Å; K222-W244 HydrophobicContact CD-CE3 4.29Å; K222-W244 HydrophobicContact CD-CH2 3.89Å; K222-W244 HydrophobicContact CD-CZ2 4.12Å; K222-W244 HydrophobicContact CD-CZ3 3.95Å; K222-W244 HydrophobicContact CG-CE3 4.22Å; K222-W244 HydrophobicContact CG-CH2 4.07Å; K222-W244 HydrophobicContact CG-CZ3 3.74Å; P242-W244 HydrophobicContact CB-CD2 3.7Å; P242-W244 VanDerWaalsContact CB-CE2 3.5Å; P242-W244 HydrophobicContact CB-CE3 4.33Å; P242-W244 HydrophobicContact CB-CG 3.93Å; P242-W244 HydrophobicContact CB-CH2 4.46Å; P242-W244 HydrophobicContact CB-CZ2 3.95Å; P242-W244 HydrophobicContact CG-CD2 3.95Å; P242-W244 HydrophobicContact CG-CE3 4.07Å; P242-W244 HydrophobicContact CG-CG 4.5Å; P242-W244 HydrophobicContact CG-CH2 4.21Å; P242-W244 HydrophobicContact CG-CZ2 4.2Å; P242-W244 HydrophobicContact CG-CZ3 4.17Å; P242-W244 PolarHBondContact O-N 2.7Å; W244-F247 HydrophobicContact CB-CE2 4.28Å; W244-F247 HydrophobicContact CD2-CE2 4.41Å; W244-F247 HydrophobicContact CD2-CZ 4.44Å; W244-F247 HydrophobicContact CE3-CE1 4.06Å; W244-F247 AromaticContact CE3-CE2 3.59Å; W244-F247 HydrophobicContact CE3-CE2 3.59Å; W244-F247 AromaticContact CE3-CZ 3.3Å; W244-F247 HydrophobicContact CE3-CZ 3.3Å; W244-F247 HydrophobicContact CZ3-CE1 4.07Å; W244-F247 HydrophobicContact CZ3-CE2 4.26Å; W244-F247 AromaticContact CZ3-CZ 3.51Å; W244-F247 HydrophobicContact CZ3-CZ 3.51Å
245S54.4Low77.9Confident124 Ų12470 Ų7087%0.86739%0.388SS*.SBendtrans-79.1-16-176.115.90000114.3
246E60.3Low77.9Confident177 Ų17770.2 Ų70.283%0.82739%0.389SS*.  trans-141.673-168.6-65.2-178.8179.700112.8
247F69.5Low77.9Confident48 Ų4873.2 Ų73.221%0.21141%0.414CS..PPolyproline II helixtrans-80.4149.3153-80.3-78.5000109.1L217 I234 W244 K249 V251 V253L217-F247 HydrophobicContact CD1-CE1 4.3Å; L217-F247 HydrophobicContact CD1-CZ 4.35Å; L217-F247 HydrophobicContact CD2-CZ 4.49Å; I234-F247 HydrophobicContact CD1-CD1 4.38Å; I234-F247 HydrophobicContact CD1-CE1 3.9Å; W244-F247 HydrophobicContact CB-CE2 4.28Å; W244-F247 HydrophobicContact CD2-CE2 4.41Å; W244-F247 HydrophobicContact CD2-CZ 4.44Å; W244-F247 HydrophobicContact CE3-CE1 4.06Å; W244-F247 AromaticContact CE3-CE2 3.59Å; W244-F247 HydrophobicContact CE3-CE2 3.59Å; W244-F247 AromaticContact CE3-CZ 3.3Å; W244-F247 HydrophobicContact CE3-CZ 3.3Å; W244-F247 HydrophobicContact CZ3-CE1 4.07Å; W244-F247 HydrophobicContact CZ3-CE2 4.26Å; W244-F247 AromaticContact CZ3-CZ 3.51Å; W244-F247 HydrophobicContact CZ3-CZ 3.51Å; F247-K249 PolarHBondContact O-N 3.35Å; F247-V251 HydrophobicContact CB-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.34Å; F247-V253 HydrophobicContact CD2-CG2 3.96Å; F247-V253 HydrophobicContact CE1-CG2 4.06Å; F247-V253 HydrophobicContact CE2-CG2 3.44Å; F247-V253 VanDerWaalsContact CE2-CG2 3.44Å; F247-V253 HydrophobicContact CG-CG2 4.46Å; F247-V253 HydrophobicContact CZ-CG2 3.49Å; F247-V253 VanDerWaalsContact CZ-CG2 3.49Å
248P71.7Confident78Confident52 Ų5274.9 Ų74.934%0.33843%0.429SS..PPolyproline II helixtrans-52.2141.4171.8-27.737.5000111.3V225 G250 V251V225-P248 HydrophobicContact CG1-CG 3.95Å; P248-G250 PolarHBondContact O-N 3.34Å; P248-G250 VanDerWaalsContact O-N 3.14Å; P248-V251 HydrophobicContact CB-CG2 4.49Å; P248-V251 PolarHBondContact O-N 3.28Å; P248-V251 VanDerWaalsContact O-N 3.15Å
249K73.1Confident78.5Confident214 Ų21472.3 Ų72.393%0.9342%0.416SS*.THydrogen-bonded Turntrans-51.6122.2-177.4-73.4-175.7178.4179.60110.6F247F247-K249 PolarHBondContact O-N 3.35Å
250G80.6Confident79.5Confident46 Ų4671.1 Ų71.147%0.47440%0.397SS..THydrogen-bonded Turntrans96.53.8176.300000115.9P248P248-G250 PolarHBondContact O-N 3.34Å; P248-G250 VanDerWaalsContact O-N 3.14Å
251V89.9Confident80.8Confident22 Ų2265.1 Ų65.113%0.13338%0.381CS..  trans-93.2129.8167.7-179.70000109.9V225 R232 I234 F247 P248V225-V251 HydrophobicContact CG1-CG1 4.49Å; V225-V251 HydrophobicContact CG1-CG2 4.08Å; R232-V251 CarbonylContact O-C 3.55Å; R232-V251 WeakPolarHBondContact O-CA 3.5Å; I234-V251 HydrophobicContact CD1-CG1 3.75Å; I234-V251 HydrophobicContact CG1-CG1 3.91Å; F247-V251 HydrophobicContact CB-CB 4.4Å; F247-V251 HydrophobicContact CD1-CG1 4.34Å; P248-V251 HydrophobicContact CB-CG2 4.49Å; P248-V251 PolarHBondContact O-N 3.28Å; P248-V251 VanDerWaalsContact O-N 3.15Å
252I91.6Very high82.3Confident88 Ų8865.6 Ų65.645%0.45138%0.38SS..EExtended strand (participates in β ladder)trans-117.3132.1178.2-53.4177.4000109.3R232 H233 I234R232-I252 PolarHBondContact O-N 2.79Å; H233-I252 WeakPolarHBondContact CA-O 3.43Å; I234-I252 PolarHBondContact N-O 2.94Å
253V91.8Very high83.8Confident28 Ų2864.7 Ų64.717%0.1737%0.374CS..EExtended strand (participates in β ladder)trans-99.8127.2176.6-172.10000110.4L217 I234 T236 P241 F247L217-V253 HydrophobicContact CD2-CG1 4.28Å; I234-V253 HydrophobicContact CB-CG2 4.27Å; I234-V253 CarbonylContact O-C 3.57Å; I234-V253 VanDerWaalsContact O-CA 3.29Å; I234-V253 WeakPolarHBondContact O-CA 3.42Å; T236-V253 HydrophobicContact CG2-CG1 4.12Å; P241-V253 HydrophobicContact CB-CG1 4.26Å; F247-V253 HydrophobicContact CD2-CG2 3.96Å; F247-V253 HydrophobicContact CE1-CG2 4.06Å; F247-V253 HydrophobicContact CE2-CG2 3.44Å; F247-V253 VanDerWaalsContact CE2-CG2 3.44Å; F247-V253 HydrophobicContact CG-CG2 4.46Å; F247-V253 HydrophobicContact CZ-CG2 3.49Å; F247-V253 VanDerWaalsContact CZ-CG2 3.49Å
254H94.1Very high85.6Confident41 Ų4159.2 Ų59.219%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-116.7160.6177-58-81.3000110.6H233 I234 I235 T236 V259H233-H254 AromaticContact CE1-NE2 3.94Å; H233-H254 AromaticContact ND1-CD2 3.81Å; H233-H254 AromaticContact ND1-NE2 3.26Å; H233-H254 PolarHBondContact ND1-NE2 2.7Å; I234-H254 PolarHBondContact O-N 2.92Å; I235-H254 HydrophobicContact CG1-CB 4.46Å; T236-H254 PolarHBondContact N-O 3.45Å; T236-H254 PolarHBondContact OG1-O 3.24Å; H254-V259 HydrophobicContact CB-CG2 3.74Å
255T95.9Very high86.8Confident31 Ų3162.6 Ų62.619%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-94.9150160.863.20000109.4T236 P241 A257 A258 V259T236-T255 CarbonylContact O-C 3.54Å; T236-T255 WeakPolarHBondContact O-CA 3.49Å; P241-T255 HydrophobicContact CG-CG2 3.63Å; T255-A257 PolarHBondContact O-N 3.27Å; T255-A258 PolarHBondContact O-N 2.81Å; T255-A258 VanDerWaalsContact OG1-CB 3.3Å; T255-A258 WeakPolarHBondContact OG1-CB 3.11Å; T255-A258 PolarHBondContact OG1-N 3.23Å; T255-A258 VanDerWaalsContact OG1-N 3.09Å; T255-V259 WeakPolarHBondContact O-CG2 3.28Å; T255-V259 PolarHBondContact O-N 3.29Å; T255-V259 VanDerWaalsContact O-N 3.08Å
256M97.3Very high88Confident3 Ų357 Ų572%0.01532%0.323CS..Hα-helixtrans-54.7-40.6174-174.6173.9-170.100111.3F147 E171 I174 A175 I235 T236 V237 A258 V259 E260F147-M256 HydrophobicContact CB-CE 4.44Å; F147-M256 HydrophobicContact CD1-CE 3.92Å; F147-M256 HydrophobicContact CD2-CE 4.13Å; F147-M256 HydrophobicContact CD2-CG 3.77Å; F147-M256 HydrophobicContact CE1-CE 4.16Å; F147-M256 HydrophobicContact CE2-CB 4.36Å; F147-M256 HydrophobicContact CE2-CE 4.38Å; F147-M256 HydrophobicContact CE2-CG 3.67Å; F147-M256 HydrophobicContact CG-CE 3.89Å; F147-M256 HydrophobicContact CG-CG 4.47Å; F147-M256 HydrophobicContact CZ-CE 4.39Å; F147-M256 HydrophobicContact CZ-CG 4.27Å; E171-M256 HydrophobicContact CB-SD 3.74Å; E171-M256 HydrophobicContact CG-SD 3.96Å; I174-M256 HydrophobicContact CB-CE 3.97Å; I174-M256 HydrophobicContact CG2-CE 3.51Å; A175-M256 HydrophobicContact CB-CE 4.44Å; I235-M256 HydrophobicContact CG2-CB 4.2Å; T236-M256 PolarHBondContact O-N 3.48Å; V237-M256 HydrophobicContact CG1-SD 4.12Å; M256-A258 PolarHBondContact O-N 2.93Å; M256-V259 PolarHBondContact O-N 2.85Å; M256-E260 HydrophobicContact CG-CG 4.49Å; M256-E260 WeakPolarHBondContact O-CB 3.22Å; M256-E260 WeakPolarHBondContact O-CG 3.4Å; M256-E260 PolarHBondContact O-N 3.26Å
257A96Very high88.5Confident64 Ų6450.8 Ų50.853%0.52930%0.298SS..Hα-helixtrans-61.6-39.217600000113.3T255 E260 A261T255-A257 PolarHBondContact O-N 3.27Å; A257-E260 PolarHBondContact O-N 3.03Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.55Å
258A95.8Very high88.2Confident49 Ų4955.7 Ų55.741%0.40532%0.324SS..Hα-helixtrans-67.5-38.617600000111.9T255 M256 A261 L262T255-A258 PolarHBondContact O-N 2.81Å; T255-A258 VanDerWaalsContact OG1-CB 3.3Å; T255-A258 WeakPolarHBondContact OG1-CB 3.11Å; T255-A258 PolarHBondContact OG1-N 3.23Å; T255-A258 VanDerWaalsContact OG1-N 3.09Å; M256-A258 PolarHBondContact O-N 2.93Å; A258-A261 PolarHBondContact O-N 3.13Å; A258-L262 WeakPolarHBondContact O-CB 3.36Å; A258-L262 PolarHBondContact O-N 3.36Å
259V97Very high87.8Confident1 Ų159.8 Ų59.81%0.00634%0.338CS..Hα-helixtrans-67.4-42.7175.3-178.90000110.9F147 G150 L151 L154 I235 H254 T255 M256 A261 L262 G263F147-V259 HydrophobicContact CD2-CB 3.99Å; F147-V259 HydrophobicContact CD2-CG1 3.72Å; F147-V259 HydrophobicContact CE2-CB 3.86Å; F147-V259 HydrophobicContact CE2-CG1 3.7Å; G150-V259 WeakPolarHBondContact CA-O 3.42Å; L151-V259 HydrophobicContact CD2-CG1 4.41Å; L151-V259 HydrophobicContact CG-CG1 4.37Å; L154-V259 HydrophobicContact CD1-CG1 4.3Å; L154-V259 HydrophobicContact CD1-CG2 3.86Å; I235-V259 HydrophobicContact CG1-CG2 4.23Å; I235-V259 HydrophobicContact CG2-CG2 4.24Å; H254-V259 HydrophobicContact CB-CG2 3.74Å; T255-V259 WeakPolarHBondContact O-CG2 3.28Å; T255-V259 PolarHBondContact O-N 3.29Å; T255-V259 VanDerWaalsContact O-N 3.08Å; M256-V259 PolarHBondContact O-N 2.85Å; V259-A261 VanDerWaalsContact C-N 3.34Å; V259-A261 PolarHBondContact O-N 3.44Å; V259-L262 WeakPolarHBondContact O-CB 3.38Å; V259-L262 PolarHBondContact O-N 2.77Å; V259-G263 PolarHBondContact O-N 3.45Å
260E97Very high87.2Confident25 Ų2556.4 Ų56.412%0.11733%0.331CS..Hα-helixtrans-58.7-44.3172.7-74.8175.1-162.400111.4R143 N146 F147 M256 A257 L262 G263 A264R143-E260 IonicContact CZ-OE1 3.2Å; R143-E260 IonicContact CZ-OE2 3.07Å; R143-E260 IonicContact NE-OE1 2.73Å; R143-E260 PolarHBondContact NE-OE1 3.34Å; R143-E260 VanDerWaalsContact NE-OE1 3.13Å; R143-E260 IonicContact NE-OE2 2.67Å; R143-E260 PolarHBondContact NE-OE2 3.43Å; R143-E260 VanDerWaalsContact NE-OE2 3.14Å; R143-E260 IonicContact NH2-OE1 2.82Å; R143-E260 PolarHBondContact NH2-OE1 3.07Å; R143-E260 IonicContact NH2-OE2 2.86Å; N146-E260 HydrophobicContact CB-CB 4.26Å; F147-E260 HydrophobicContact CB-CG 3.84Å; F147-E260 HydrophobicContact CD2-CG 4.09Å; F147-E260 HydrophobicContact CG-CG 4.4Å; M256-E260 HydrophobicContact CG-CG 4.49Å; M256-E260 WeakPolarHBondContact O-CB 3.22Å; M256-E260 WeakPolarHBondContact O-CG 3.4Å; M256-E260 PolarHBondContact O-N 3.26Å; A257-E260 PolarHBondContact O-N 3.03Å; E260-L262 VanDerWaalsContact C-N 3.35Å; E260-L262 PolarHBondContact O-N 3.4Å; E260-G263 PolarHBondContact O-N 2.93Å; E260-A264 WeakPolarHBondContact O-CB 3.18Å; E260-A264 PolarHBondContact O-N 3.29Å
261A95.8Very high86.3Confident54 Ų5458.4 Ų58.445%0.44633%0.328SS..Hα-helixtrans-65.4-36.2177.500000112.9A257 A258 V259 K265A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.55Å; A258-A261 PolarHBondContact O-N 3.13Å; V259-A261 VanDerWaalsContact C-N 3.34Å; V259-A261 PolarHBondContact O-N 3.44Å; A261-K265 PolarHBondContact O-N 3.38Å
262L94.6Very high85.1Confident68 Ų6863.2 Ų63.236%0.35636%0.359SS..Hα-helixtrans-62.6-47.1172.8178.263.3000110.9M153 L154 A258 V259 E260 K265 A266M153-L262 HydrophobicContact CB-CD1 4.42Å; M153-L262 HydrophobicContact CB-CD2 3.6Å; M153-L262 HydrophobicContact CB-CG 3.84Å; M153-L262 HydrophobicContact CG-CD2 4.47Å; M153-L262 HydrophobicContact CG-CG 4.18Å; L154-L262 HydrophobicContact CD2-CD2 4.11Å; L154-L262 HydrophobicContact CG-CD2 4.41Å; A258-L262 WeakPolarHBondContact O-CB 3.36Å; A258-L262 PolarHBondContact O-N 3.36Å; V259-L262 WeakPolarHBondContact O-CB 3.38Å; V259-L262 PolarHBondContact O-N 2.77Å; E260-L262 VanDerWaalsContact C-N 3.35Å; E260-L262 PolarHBondContact O-N 3.4Å; L262-K265 PolarHBondContact O-N 3.3Å; L262-A266 PolarHBondContact O-N 3.11Å
263G94.9Very high84.3Confident0 Ų062 Ų620%035%0.351CS..Hα-helixtrans-70.3-31.6179.600000114.4N146 G150 V259 E260 K265 A266 S267N146-G263 WeakPolarHBondContact O-CA 3.45Å; G150-G263 VanDerWaalsContact N-CA 3.31Å; V259-G263 PolarHBondContact O-N 3.45Å; E260-G263 PolarHBondContact O-N 2.93Å; G263-K265 VanDerWaalsContact C-N 3.25Å; G263-K265 PolarHBondContact O-N 3.14Å; G263-A266 PolarHBondContact O-N 3.46Å; G263-S267 PolarHBondContact O-N 3Å
264A93.3Very high83.8Confident37 Ų3763.4 Ų63.431%0.30636%0.363SS..Hα-helixtrans-61.6-35.2173.300000111.9E260E260-A264 WeakPolarHBondContact O-CB 3.18Å; E260-A264 PolarHBondContact O-N 3.29Å
265K88.3Confident83.6Confident143 Ų14368.5 Ų68.562%0.62238%0.384SS*.Hα-helixtrans-69.1-47.9173.1-68.1176.9-179.3-1790111.6A261 L262 G263 S267 M268A261-K265 PolarHBondContact O-N 3.38Å; L262-K265 PolarHBondContact O-N 3.3Å; G263-K265 VanDerWaalsContact C-N 3.25Å; G263-K265 PolarHBondContact O-N 3.14Å; K265-S267 VanDerWaalsContact C-N 3.3Å; K265-S267 PolarHBondContact O-N 2.94Å; K265-M268 WeakPolarHBondContact O-CB 3.45Å; K265-M268 PolarHBondContact O-N 2.97Å
266A79.6Confident83.6Confident7 Ų767.3 Ų67.36%0.05838%0.377CS..Hα-helixtrans-64.4-31-18000000113.4M153 L262 G263 M268 E269M153-A266 HydrophobicContact CG-CB 3.79Å; M153-A266 HydrophobicContact SD-CB 3.87Å; L262-A266 PolarHBondContact O-N 3.11Å; G263-A266 PolarHBondContact O-N 3.46Å; A266-M268 PolarHBondContact O-N 3.23Å; A266-E269 WeakPolarHBondContact O-CA 3.41Å; A266-E269 WeakPolarHBondContact O-CB 3.43Å; A266-E269 PolarHBondContact O-N 3.47Å
267S70.6Confident83.6Confident45 Ų4571.8 Ų71.832%0.31540%0.4SS..Hα-helixtrans-61.6-27.5177.2-1680000113.1N149 G263 K265 E269 N270N149-S267 WeakPolarHBondContact ND2-CB 3.33Å; G263-S267 PolarHBondContact O-N 3Å; K265-S267 VanDerWaalsContact C-N 3.3Å; K265-S267 PolarHBondContact O-N 2.94Å; S267-E269 PolarHBondContact O-N 3.33Å; S267-N270 PolarHBondContact O-N 3.35Å
268M63.6Low83.7Confident152 Ų15270.4 Ų70.475%0.74939%0.386SS*.THydrogen-bonded Turntrans-69.7-17.6174.7-66.3-173.5-80.700112.3K265 A266K265-M268 WeakPolarHBondContact O-CB 3.45Å; K265-M268 PolarHBondContact O-N 2.97Å; A266-M268 PolarHBondContact O-N 3.23Å
269E63.9Low83.7Confident138 Ų13871.7 Ų71.765%0.64539%0.392SS*.THydrogen-bonded Turntrans-94.45.5-178.4-56.7176.9176.800112.8A266 S267 Q271A266-E269 WeakPolarHBondContact O-CA 3.41Å; A266-E269 WeakPolarHBondContact O-CB 3.43Å; A266-E269 PolarHBondContact O-N 3.47Å; S267-E269 PolarHBondContact O-N 3.33Å; E269-Q271 PolarHBondContact O-N 3Å
270N59.5Low83.8Confident143 Ų14372.5 Ų72.577%0.76540%0.396SS*.THydrogen-bonded Turntrans53.143.3175-80.8-26.5000115.4S267 P272S267-N270 PolarHBondContact O-N 3.35Å; N270-P272 WeakPolarHBondContact O-CD 3.49Å
271Q61.3Low83.8Confident88 Ų8872.3 Ų72.341%0.41140%0.396SS..PPolyproline II helixtrans-70122.3172.5-66-160.38.900111.2E269E269-Q271 PolarHBondContact O-N 3Å
272P66.1Low84Confident123 Ų12369.7 Ų69.780%0.79938%0.375SS*.PPolyproline II helixtrans-72.6133.6178.228.6-32.4000110.5N270N270-P272 WeakPolarHBondContact O-CD 3.49Å
273H74.2Confident84.2Confident62 Ų6266.5 Ų66.529%0.28736%0.358SS..PPolyproline II helixtrans-102145.216958.9-90.6000111.2M181 Y182 K275M181-H273 PolarHBondContact O-CD2 3.45Å; Y182-H273 HydrophobicContact CD1-CB 3.42Å; Y182-H273 VanDerWaalsContact CD1-CB 3.42Å; Y182-H273 AromaticContact CD1-CG 3.76Å; Y182-H273 HydrophobicContact CE1-CB 3.6Å; Y182-H273 AromaticContact CE1-CG 3.66Å; Y182-H273 AromaticContact CE1-ND1 3.72Å; Y182-H273 HydrophobicContact CG-CB 4.33Å; H273-K275 PolarHBondContact O-N 3Å
274S80.9Confident84.3Confident58 Ų5866.5 Ų66.541%0.40636%0.358SS..PPolyproline II helixtrans-72119.2177-174.90000109.7
275K89.7Confident84.5Confident148 Ų14864.7 Ų64.764%0.64334%0.343SS*.PPolyproline II helixtrans-67.2147.5170.9-63.4-171.3179.3-176.20110.6H273H273-K275 PolarHBondContact O-N 3Å
276P95.9Very high84.7Confident6 Ų658 Ų584%0.03931%0.314CS..PPolyproline II helixtrans-73.4154.5176.232.1-36.9000112.1T87 D89 N183 H301T87-P276 HydrophobicContact CG2-CG 4.29Å; D89-P276 HydrophobicContact CB-CG 4.31Å; D89-P276 WeakPolarHBondContact OD1-CG 3.47Å; N183-P276 HydrophobicContact CB-CB 4.1Å; P276-H301 WeakPolarHBondContact CB-NE2 3.22Å
277L97.3Very high84.8Confident97 Ų9758.6 Ų58.651%0.50832%0.317SS..PPolyproline II helixtrans-96.9156164.3-62.8175.5000110.5S279 D280L277-S279 PolarHBondContact O-N 3.05Å; L277-S279 VanDerWaalsContact O-N 3.12Å; L277-D280 PolarHBondContact N-OD2 3.13Å; L277-D280 WeakPolarHBondContact O-CB 3.38Å; L277-D280 PolarHBondContact O-N 3.22Å
278P97.6Very high84.4Confident35 Ų3557.9 Ų57.923%0.22731%0.312CS..THydrogen-bonded Turntrans-56.8-29.4177.3-2736000114.3D86 T87 S302D86-P278 HydrophobicContact CB-CB 4.41Å; D86-P278 HydrophobicContact CB-CG 3.84Å; D86-P278 VanDerWaalsContact CG-CG 3.46Å; D86-P278 WeakPolarHBondContact OD2-CG 3.4Å; T87-P278 HydrophobicContact CG2-CB 4.46Å; T87-P278 HydrophobicContact CG2-CG 3.99Å; P278-S302 VanDerWaalsContact O-CB 3.29Å; P278-S302 WeakPolarHBondContact O-CB 3.48Å; P278-S302 PolarHBondContact O-N 2.9Å; P278-S302 PolarHBondContact O-OG 3.4Å
279S97.3Very high83.9Confident76 Ų7652.3 Ų52.353%0.53129%0.293SS..THydrogen-bonded Turntrans-86.9-10178.254.40000114.2L277L277-S279 PolarHBondContact O-N 3.05Å; L277-S279 VanDerWaalsContact O-N 3.12Å
280D98.1Very high83Confident17 Ų1747.4 Ų47.49%0.09127%0.274CS..SBendtrans-67.9145.1176.3-74.1-30.7000110.2K159 N183 L277 A282 S300 H301K159-D280 WeakPolarHBondContact CE-OD1 3.41Å; K159-D280 IonicContact NZ-OD1 2.64Å; K159-D280 PolarHBondContact NZ-OD1 3.28Å; K159-D280 IonicContact NZ-OD2 3.67Å; K159-D280 PolarHBondContact NZ-OD2 2.97Å; N183-D280 PolarHBondContact ND2-OD2 3.2Å; L277-D280 PolarHBondContact N-OD2 3.13Å; L277-D280 WeakPolarHBondContact O-CB 3.38Å; L277-D280 PolarHBondContact O-N 3.22Å; D280-A282 PolarHBondContact O-N 2.83Å; D280-S300 WeakPolarHBondContact O-CA 3.33Å; D280-S300 WeakPolarHBondContact O-CB 3.45Å; D280-H301 PolarHBondContact O-CD2 3.28Å; D280-H301 PolarHBondContact O-N 3.22Å
281I98.4Very high82.5Confident21 Ų2144 Ų4411%0.10826%0.258CS..EExtended strand (participates in β ladder)trans-67.6117.7175.7-62.5172.3000108.5Q185 I284 M298 M537Q185-I281 HydrophobicContact CG-CB 4.15Å; Q185-I281 HydrophobicContact CG-CG2 4.33Å; I281-I284 HydrophobicContact CG2-CG1 3.84Å; I281-M298 HydrophobicContact CD1-CB 4.26Å; I281-M298 HydrophobicContact CD1-CG 4.21Å; I281-M298 HydrophobicContact CD1-SD 3.91Å; I281-M537 HydrophobicContact CG1-SD 3.82Å
282A98.4Very high82.4Confident0 Ų042 Ų420%026%0.262CS..EExtended strand (participates in β ladder)trans-84.5-45.617300000110.7L88 F180 L186 D280 I299 I304L88-A282 HydrophobicContact CD1-CB 4Å; F180-A282 HydrophobicContact CD1-CB 4.23Å; F180-A282 HydrophobicContact CE1-CB 4.15Å; L186-A282 WeakPolarHBondContact CB-O 3.27Å; L186-A282 PolarHBondContact N-O 3.41Å; D280-A282 PolarHBondContact O-N 2.83Å; A282-I299 PolarHBondContact N-O 3.35Å; A282-I304 HydrophobicContact CB-CD1 4.26Å
283V98.6Very high82.6Confident0 Ų041.5 Ų41.50%025%0.252CS..EExtended strand (participates in β ladder)trans-137.1134.9-172.5-173.90000110.8F180 L186 T188 M285 I299 I304 L336F180-V283 HydrophobicContact CE1-CG2 3.73Å; F180-V283 HydrophobicContact CZ-CG2 4.02Å; L186-V283 HydrophobicContact CB-CG2 4.49Å; L186-V283 HydrophobicContact CD2-CG2 4.46Å; L186-V283 CarbonylContact O-C 3.16Å; L186-V283 VanDerWaalsContact O-CA 3.25Å; L186-V283 WeakPolarHBondContact O-CA 3.34Å; L186-V283 WeakPolarHBondContact O-CG1 3.4Å; T188-V283 HydrophobicContact CG2-CG1 4.07Å; V283-M285 HydrophobicContact CG1-CB 4.02Å; V283-M285 HydrophobicContact CG1-CE 4.15Å; V283-I299 HydrophobicContact CB-CB 4.41Å; V283-I299 PolarHBondContact N-O 2.86Å; V283-I299 PolarHBondContact O-N 2.93Å; V283-I304 HydrophobicContact CG2-CD1 3.86Å; V283-L336 HydrophobicContact CG2-CD2 4.27Å
284I98.5Very high82.9Confident0 Ų039.1 Ų39.10%024%0.242CC..EExtended strand (participates in β ladder)trans-105.199.7161.9-58.2169.6000106.8N161 L186 V187 T188 T205 I281 Y286 V297 Y540N161-I284 WeakPolarHBondContact OD1-CD1 3.47Å; L186-I284 PolarHBondContact O-N 3.04Å; V187-I284 WeakPolarHBondContact CA-O 3.33Å; V187-I284 HydrophobicContact CG2-CB 4.21Å; V187-I284 HydrophobicContact CG2-CD1 4.24Å; T188-I284 PolarHBondContact N-O 3.32Å; T205-I284 HydrophobicContact CG2-CG2 4.44Å; I281-I284 HydrophobicContact CG2-CG1 3.84Å; I284-Y286 HydrophobicContact CG2-CE2 4.18Å; I284-V297 CarbonylContact C-O 3.5Å; I284-V297 WeakPolarHBondContact CA-O 3.34Å; I284-Y540 HydrophobicContact CD1-CD2 3.55Å; I284-Y540 HydrophobicContact CD1-CE2 3.55Å; I284-Y540 HydrophobicContact CD1-CG 4.23Å; I284-Y540 HydrophobicContact CG1-CD2 4.26Å; I284-Y540 HydrophobicContact CG2-CD2 4.48Å; I284-Y540 HydrophobicContact CG2-CG 4.24Å
285M97.2Very high83.3Confident0 Ų039.5 Ų39.50%024%0.237CC..EExtended strand (participates in β ladder)trans-97.1112.8-173-174.2167.8-71.300110.9T188 V283 T287 V297 I299 A331 V333 L336 T478T188-M285 WeakPolarHBondContact OG1-CA 3.16Å; V283-M285 HydrophobicContact CG1-CB 4.02Å; V283-M285 HydrophobicContact CG1-CE 4.15Å; M285-T287 PolarHBondContact O-N 2.97Å; M285-V297 PolarHBondContact N-O 3.24Å; M285-V297 PolarHBondContact O-N 3.2Å; M285-I299 HydrophobicContact CB-CD1 4.05Å; M285-A331 WeakPolarHBondContact CG-O 3.25Å; M285-V333 HydrophobicContact CE-CB 4.32Å; M285-V333 HydrophobicContact SD-CB 3.63Å; M285-V333 HydrophobicContact SD-CG2 4.4Å; M285-V333 PolarHBondContact SD-N 2.66Å; M285-L336 HydrophobicContact CE-CB 4.48Å; M285-L336 HydrophobicContact CE-CD2 3.65Å; M285-T478 HydrophobicContact CB-CG2 3.9Å; M285-T478 HydrophobicContact CG-CG2 3.87Å; M285-T478 HydrophobicContact SD-CG2 3.73Å
286Y92.5Very high83.6Confident1 Ų132.5 Ų32.50%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-75.5125.2177.6-85.2-94000111.4V187 T188 L189 Y190 G201 E204 T205 I284 P294 K295V187-Y286 HydrophobicContact CG1-CD2 3.83Å; V187-Y286 HydrophobicContact CG1-CE2 3.67Å; T188-Y286 WeakPolarHBondContact O-CB 3.33Å; T188-Y286 PolarHBondContact O-N 3.29Å; L189-Y286 HydrophobicContact CD2-CD1 4.5Å; L189-Y286 HydrophobicContact CD2-CD2 3.74Å; L189-Y286 HydrophobicContact CD2-CE2 4.45Å; L189-Y286 HydrophobicContact CD2-CG 3.76Å; Y190-Y286 WeakPolarHBondContact CE2-O 3.29Å; G201-Y286 PolarHBondContact O-OH 2.88Å; E204-Y286 WeakPolarHBondContact OE2-CE1 3.45Å; E204-Y286 PolarHBondContact OE2-OH 2.98Å; T205-Y286 HydrophobicContact CG2-CE2 3.71Å; T205-Y286 VanDerWaalsContact CG2-OH 3.31Å; T205-Y286 WeakPolarHBondContact CG2-OH 3.37Å; I284-Y286 HydrophobicContact CG2-CE2 4.18Å; Y286-P294 HydrophobicContact CD1-CB 3.75Å; Y286-K295 WeakPolarHBondContact CA-O 3.41Å
287T80.5Confident83.6Confident20 Ų2032.2 Ų32.212%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-101.8133.6177.366.90000110.7M285 G289 P294 K295 V297 T478M285-T287 PolarHBondContact O-N 2.97Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 2.97Å; T287-P294 VanDerWaalsContact O-CA 3.28Å; T287-P294 WeakPolarHBondContact O-CA 3.34Å; T287-K295 PolarHBondContact N-O 3.16Å; T287-K295 PolarHBondContact O-N 2.62Å; T287-V297 HydrophobicContact CG2-CG2 3.89Å; T287-T478 HydrophobicContact CG2-CG2 3.67Å; T287-T478 WeakPolarHBondContact CG2-OG1 3.33Å
288S63.6Low83.7Confident31 Ų3129.2 Ų29.222%0.21719%0.188CC..  trans-78.783.3168.765.70000108.7
289G52.3Low83.8Confident34 Ų3427.6 Ų27.635%0.35118%0.178SC..  trans-62.9152.817300000111.7T287 T291T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 2.97Å; G289-T291 PolarHBondContact O-N 3.03Å; G289-T291 VanDerWaalsContact O-N 3.16Å
290S46.1Very low83.8Confident36 Ų3624.2 Ų24.225%0.25215%0.154SC..THydrogen-bonded Turntrans-72.20.717952.20000114.6
291T47.7Very low83.8Confident70 Ų7023.4 Ų23.443%0.42915%0.15SC..THydrogen-bonded Turntrans-133.16.5-165.564.30000116G289G289-T291 PolarHBondContact O-N 3.03Å; G289-T291 VanDerWaalsContact O-N 3.16Å
292G60.5Low83.8Confident48 Ų4823.1 Ų23.150%0.49515%0.149SC..SBendtrans168.4-158.7179.800000116.3
293L69.1Low83.8Confident111 Ų11123.6 Ų23.658%0.58115%0.152SC*.SBendtrans-55141.5175.1-71.9169.9000110.9H200H200-L293 HydrophobicContact CB-CD2 4.42Å
294P81.4Confident83.8Confident13 Ų1323.7 Ų23.78%0.08415%0.153CC..  trans-56.4146.3176.1-25.535.5000111.9A197 H200 Y286 T287A197-P294 HydrophobicContact CB-CG 3.95Å; H200-P294 PolarHBondContact NE2-O 3.29Å; Y286-P294 HydrophobicContact CD1-CB 3.75Å; T287-P294 VanDerWaalsContact O-CA 3.28Å; T287-P294 WeakPolarHBondContact O-CA 3.34Å
295K89.3Confident83.8Confident66 Ų6623.8 Ų23.829%0.28715%0.153SC..EExtended strand (participates in β ladder)trans-122.2134.1-179.6-55178.3-171.4177.70110.3Y286 T287 Y539Y286-K295 WeakPolarHBondContact CA-O 3.41Å; T287-K295 PolarHBondContact N-O 3.16Å; T287-K295 PolarHBondContact O-N 2.62Å; K295-Y539 HydrophobicContact CB-CD1 4.28Å
296G94.7Very high83.8Confident1 Ų123.8 Ų23.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-79117.6175.500000111.8Y539 Y540G296-Y539 CarbonylContact O-C 3.53Å; G296-Y539 WeakPolarHBondContact O-CA 3.48Å; G296-Y540 PolarHBondContact O-N 3.07Å
297V97.7Very high84.1Confident0 Ų023.7 Ų23.70%015%0.153CC..EExtended strand (participates in β ladder)trans-86.8126.4170.8-1800000108.9I284 M285 T287 I299 T478 E479 T536 Y539I284-V297 CarbonylContact C-O 3.5Å; I284-V297 WeakPolarHBondContact CA-O 3.34Å; M285-V297 PolarHBondContact N-O 3.24Å; M285-V297 PolarHBondContact O-N 3.2Å; T287-V297 HydrophobicContact CG2-CG2 3.89Å; V297-I299 HydrophobicContact CG1-CG1 4.09Å; V297-I299 PolarHBondContact O-N 3.42Å; V297-T478 HydrophobicContact CB-CG2 3.81Å; V297-T478 HydrophobicContact CG1-CG2 4.14Å; V297-T478 HydrophobicContact CG2-CG2 3.86Å; V297-E479 HydrophobicContact CG2-CG 4.28Å; V297-T536 HydrophobicContact CG1-CG2 3.91Å; V297-T536 WeakPolarHBondContact CG1-OG1 3.39Å; V297-Y539 HydrophobicContact CG2-CD1 4.05Å; V297-Y539 HydrophobicContact CG2-CE1 4.01Å
298M98.4Very high84.9Confident34 Ų3422.8 Ų22.817%0.16715%0.147CC..EExtended strand (participates in β ladder)trans-86.1108.8-179.8-64.4-176.6-6300110.6I281 T536 M537 G538 Y540I281-M298 HydrophobicContact CD1-CB 4.26Å; I281-M298 HydrophobicContact CD1-CG 4.21Å; I281-M298 HydrophobicContact CD1-SD 3.91Å; M298-T536 WeakPolarHBondContact O-CB 3.32Å; M298-M537 HydrophobicContact CB-CB 3.95Å; M298-M537 HydrophobicContact CE-CB 4.36Å; M298-M537 WeakPolarHBondContact O-CB 3.45Å; M298-M537 PolarHBondContact O-N 3.29Å; M298-G538 PolarHBondContact N-O 3.07Å; M298-Y540 HydrophobicContact CG-CD2 3.98Å; M298-Y540 HydrophobicContact CG-CG 4.49Å; M298-Y540 HydrophobicContact SD-CD2 3.79Å
299I98.7Very high86.5Confident1 Ų121.9 Ų21.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-111.1117.7-176.7-44.3-177.2000108.9A282 V283 M285 V297 N303 I304 T478 A481 T536A282-I299 PolarHBondContact N-O 3.35Å; V283-I299 HydrophobicContact CB-CB 4.41Å; V283-I299 PolarHBondContact N-O 2.86Å; V283-I299 PolarHBondContact O-N 2.93Å; M285-I299 HydrophobicContact CB-CD1 4.05Å; V297-I299 HydrophobicContact CG1-CG1 4.09Å; V297-I299 PolarHBondContact O-N 3.42Å; I299-N303 HydrophobicContact CG2-CB 3.8Å; I299-I304 HydrophobicContact CG2-CD1 3.93Å; I299-I304 HydrophobicContact CG2-CG1 3.43Å; I299-I304 VanDerWaalsContact CG2-CG1 3.43Å; I299-T478 HydrophobicContact CD1-CG2 4.11Å; I299-A481 HydrophobicContact CG2-CB 4.17Å; I299-T536 HydrophobicContact CB-CG2 4.34Å; I299-T536 HydrophobicContact CG1-CG2 3.86Å; I299-T536 HydrophobicContact CG2-CG2 4.16Å
300S98.6Very high88.7Confident4 Ų420.3 Ų20.33%0.02812%0.124CC..EExtended strand (participates in β ladder)trans-77.5164.9175.8720000112.3D280 S302 N303 I304D280-S300 WeakPolarHBondContact O-CA 3.33Å; D280-S300 WeakPolarHBondContact O-CB 3.45Å; S300-S302 VanDerWaalsContact C-N 3.33Å; S300-S302 PolarHBondContact O-N 3.47Å; S300-S302 PolarHBondContact OG-OG 3.13Å; S300-N303 WeakPolarHBondContact CB-OD1 3.49Å; S300-N303 PolarHBondContact N-OD1 2.97Å; S300-N303 PolarHBondContact O-N 3.35Å; S300-N303 PolarHBondContact OG-N 3.08Å; S300-N303 PolarHBondContact OG-OD1 3.05Å; S300-I304 PolarHBondContact O-N 3.26Å
301H98.4Very high91.1Very high1 Ų119.5 Ų19.51%0.00512%0.116CC..Hα-helixtrans-53.8-50.5171.9-79.5-80.3000111.7T87 L88 P276 D280 N303 I304 I305T87-H301 HydrophobicContact CG2-CB 4.21Å; L88-H301 PolarHBondContact N-ND1 3.49Å; P276-H301 WeakPolarHBondContact CB-NE2 3.22Å; D280-H301 PolarHBondContact O-CD2 3.28Å; D280-H301 PolarHBondContact O-N 3.22Å; H301-N303 VanDerWaalsContact C-N 3.28Å; H301-N303 PolarHBondContact O-N 3.5Å; H301-I304 PolarHBondContact O-N 3.16Å; H301-I305 VanDerWaalsContact O-CG1 3.26Å; H301-I305 WeakPolarHBondContact O-CG1 3.28Å; H301-I305 PolarHBondContact O-N 3.38Å
302S98Very high93.4Very high14 Ų1416.6 Ų16.610%0.09810%0.099CC..Hα-helixtrans-64.3-30.4-179.362.90000113.5P278 S300 I305 A306P278-S302 VanDerWaalsContact O-CB 3.29Å; P278-S302 WeakPolarHBondContact O-CB 3.48Å; P278-S302 PolarHBondContact O-N 2.9Å; P278-S302 PolarHBondContact O-OG 3.4Å; S300-S302 VanDerWaalsContact C-N 3.33Å; S300-S302 PolarHBondContact O-N 3.47Å; S300-S302 PolarHBondContact OG-OG 3.13Å; S302-I305 PolarHBondContact O-N 3Å; S302-A306 WeakPolarHBondContact O-CB 3.41Å; S302-A306 PolarHBondContact O-N 3.27Å
303N98.4Very high95Very high10 Ų1017.8 Ų17.85%0.0539%0.092CC..Hα-helixtrans-62-47.2174-61.9141.6000111.6I299 S300 H301 G307 A481 Q533 V535I299-N303 HydrophobicContact CG2-CB 3.8Å; S300-N303 WeakPolarHBondContact CB-OD1 3.49Å; S300-N303 PolarHBondContact N-OD1 2.97Å; S300-N303 PolarHBondContact O-N 3.35Å; S300-N303 PolarHBondContact OG-N 3.08Å; S300-N303 PolarHBondContact OG-OD1 3.05Å; H301-N303 VanDerWaalsContact C-N 3.28Å; H301-N303 PolarHBondContact O-N 3.5Å; N303-G307 PolarHBondContact O-N 2.86Å; N303-G307 VanDerWaalsContact O-N 3.08Å; N303-A481 HydrophobicContact CB-CB 4.32Å; N303-Q533 WeakPolarHBondContact CA-O 3.48Å; N303-Q533 PolarHBondContact ND2-O 3.47Å; N303-V535 PolarHBondContact ND2-O 3.07Å
304I98.4Very high96.1Very high3 Ų313 Ų132%0.0157%0.066CC..Hα-helixtrans-67.1-44.7178.8-62.5177.4000110.1L88 A282 V283 I299 S300 H301 A306 G307 I308 L340L88-I304 HydrophobicContact CD1-CB 4.44Å; L88-I304 HydrophobicContact CD1-CD1 3.99Å; L88-I304 HydrophobicContact CD1-CG2 4.4Å; L88-I304 HydrophobicContact CD2-CB 4.4Å; L88-I304 HydrophobicContact CD2-CG2 3.85Å; A282-I304 HydrophobicContact CB-CD1 4.26Å; V283-I304 HydrophobicContact CG2-CD1 3.86Å; I299-I304 HydrophobicContact CG2-CD1 3.93Å; I299-I304 HydrophobicContact CG2-CG1 3.43Å; I299-I304 VanDerWaalsContact CG2-CG1 3.43Å; S300-I304 PolarHBondContact O-N 3.26Å; H301-I304 PolarHBondContact O-N 3.16Å; I304-A306 PolarHBondContact O-N 3.09Å; I304-G307 PolarHBondContact O-N 3.08Å; I304-G307 VanDerWaalsContact O-N 3.14Å; I304-I308 HydrophobicContact CG2-CG2 4.13Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 2.85Å; I304-L340 HydrophobicContact CG2-CD1 3.56Å
305I98.4Very high96.8Very high1 Ų114 Ų141%0.0057%0.071CC..Hα-helixtrans-58.1-47.7179.5-65.8-67.3000111.2S79 V80 L88 V91 H301 S302 G307 I308 T309S79-I305 WeakPolarHBondContact O-CG2 3.33Å; V80-I305 HydrophobicContact CB-CG2 4.39Å; V80-I305 HydrophobicContact CG1-CG2 4.19Å; L88-I305 HydrophobicContact CD2-CD1 3.84Å; L88-I305 HydrophobicContact CD2-CG1 4.43Å; L88-I305 HydrophobicContact CG-CD1 4.36Å; V91-I305 HydrophobicContact CB-CD1 4.27Å; V91-I305 HydrophobicContact CG2-CD1 3.39Å; H301-I305 VanDerWaalsContact O-CG1 3.26Å; H301-I305 WeakPolarHBondContact O-CG1 3.28Å; H301-I305 PolarHBondContact O-N 3.38Å; S302-I305 PolarHBondContact O-N 3Å; I305-G307 VanDerWaalsContact C-N 3.34Å; I305-G307 PolarHBondContact O-N 3.32Å; I305-I308 HydrophobicContact CD1-CD1 4.17Å; I305-I308 VanDerWaalsContact O-CG1 3.32Å; I305-I308 WeakPolarHBondContact O-CG1 3.41Å; I305-I308 PolarHBondContact O-N 3.42Å; I305-T309 WeakPolarHBondContact O-CB 3.37Å; I305-T309 PolarHBondContact O-N 3.5Å; I305-T309 PolarHBondContact O-OG1 3.4Å
306A98.1Very high96.9Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-59.6-45.8175.500000111.1S79 S302 I304 T309 G310 C503 Q533 N534S79-A306 WeakPolarHBondContact O-CA 3.36Å; S79-A306 PolarHBondContact O-N 3.26Å; S302-A306 WeakPolarHBondContact O-CB 3.41Å; S302-A306 PolarHBondContact O-N 3.27Å; I304-A306 PolarHBondContact O-N 3.09Å; A306-T309 WeakPolarHBondContact O-CB 3.46Å; A306-T309 PolarHBondContact O-N 3.45Å; A306-G310 PolarHBondContact O-N 2.92Å; A306-G310 VanDerWaalsContact O-N 3.13Å; A306-C503 HydrophobicContact CB-CB 4.35Å; A306-C503 WeakPolarHBondContact O-CB 3.32Å; A306-C503 PolarHBondContact O-SG 2.79Å; A306-C503 VanDerWaalsContact O-SG 3.41Å; A306-Q533 HydrophobicContact CB-CB 3.93Å; A306-Q533 HydrophobicContact CB-CG 4.25Å; A306-N534 HydrophobicContact CB-CB 4.29Å
307G97.9Very high96.8Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-58.8-51.7178.300000113.5N303 I304 I305 T309 G310 M311N303-G307 PolarHBondContact O-N 2.86Å; N303-G307 VanDerWaalsContact O-N 3.08Å; I304-G307 PolarHBondContact O-N 3.08Å; I304-G307 VanDerWaalsContact O-N 3.14Å; I305-G307 VanDerWaalsContact C-N 3.34Å; I305-G307 PolarHBondContact O-N 3.32Å; G307-T309 VanDerWaalsContact C-N 3.26Å; G307-T309 PolarHBondContact O-N 2.86Å; G307-G310 PolarHBondContact O-N 3.21Å; G307-M311 VanDerWaalsContact O-CG 3.29Å; G307-M311 WeakPolarHBondContact O-CG 3.31Å; G307-M311 PolarHBondContact O-N 2.85Å
308I97.8Very high96.7Very high1 Ų123 Ų231%0.00512%0.118CC..Hα-helixtrans-66.9-28.4179.668175.4000112.2I304 I305 M311 A312 L340 V341I304-I308 HydrophobicContact CG2-CG2 4.13Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 2.85Å; I305-I308 HydrophobicContact CD1-CD1 4.17Å; I305-I308 VanDerWaalsContact O-CG1 3.32Å; I305-I308 WeakPolarHBondContact O-CG1 3.41Å; I305-I308 PolarHBondContact O-N 3.42Å; I308-M311 PolarHBondContact O-N 3.3Å; I308-A312 VanDerWaalsContact O-CB 3.26Å; I308-A312 WeakPolarHBondContact O-CB 3.45Å; I308-A312 PolarHBondContact O-N 2.84Å; I308-L340 HydrophobicContact CD1-CB 4.47Å; I308-L340 HydrophobicContact CG2-CB 4.03Å; I308-V341 HydrophobicContact CB-CG2 3.64Å; I308-V341 HydrophobicContact CG2-CG2 3.96Å
309T97.4Very high96.6Very high12 Ų1222.3 Ų22.37%0.07412%0.119CC..Hα-helixtrans-61.8-49.6173.4-57.90000110.5A78 V80 L81 I305 A306 G307 M311 E313A78-T309 HydrophobicContact CB-CG2 4Å; V80-T309 WeakPolarHBondContact O-CG2 3.5Å; L81-T309 WeakPolarHBondContact CA-OG1 3.47Å; L81-T309 PolarHBondContact N-OG1 3.34Å; I305-T309 WeakPolarHBondContact O-CB 3.37Å; I305-T309 PolarHBondContact O-N 3.5Å; I305-T309 PolarHBondContact O-OG1 3.4Å; A306-T309 WeakPolarHBondContact O-CB 3.46Å; A306-T309 PolarHBondContact O-N 3.45Å; G307-T309 VanDerWaalsContact C-N 3.26Å; G307-T309 PolarHBondContact O-N 2.86Å; T309-M311 PolarHBondContact O-N 3.39Å; T309-E313 PolarHBondContact O-N 3.07Å
310G96.8Very high96.5Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-63.2-39.8176.800000113.1A306 G307A306-G310 PolarHBondContact O-N 2.92Å; A306-G310 VanDerWaalsContact O-N 3.13Å; G307-G310 PolarHBondContact O-N 3.21Å
311M96.6Very high96.3Very high19 Ų1933.8 Ų33.89%0.09417%0.172CC..Hα-helixtrans-69.4-40.6179.8-65.8176.2-167.900112.9G307 I308 T309 E313 R314 V341 G482 A483 I486 L501G307-M311 VanDerWaalsContact O-CG 3.29Å; G307-M311 WeakPolarHBondContact O-CG 3.31Å; G307-M311 PolarHBondContact O-N 2.85Å; I308-M311 PolarHBondContact O-N 3.3Å; T309-M311 PolarHBondContact O-N 3.39Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 2.93Å; M311-R314 PolarHBondContact O-N 2.87Å; M311-V341 HydrophobicContact CB-CG2 3.92Å; M311-G482 WeakPolarHBondContact CE-O 3.49Å; M311-A483 HydrophobicContact CE-CB 3.97Å; M311-I486 HydrophobicContact CB-CD1 4.26Å; M311-I486 HydrophobicContact CG-CD1 3.93Å; M311-L501 HydrophobicContact CG-CD1 4.06Å
312A96.2Very high96.3Very high9 Ų934.1 Ų34.17%0.07417%0.174CC..Hα-helixtrans-63.2-37.6-179.500000112.2L81 I308 R314 I315 L318 V341 H345L81-A312 HydrophobicContact CD1-CB 3.85Å; I308-A312 VanDerWaalsContact O-CB 3.26Å; I308-A312 WeakPolarHBondContact O-CB 3.45Å; I308-A312 PolarHBondContact O-N 2.84Å; A312-R314 PolarHBondContact O-N 3.45Å; A312-R314 VanDerWaalsContact O-N 3.13Å; A312-I315 PolarHBondContact O-N 3.4Å; A312-L318 HydrophobicContact CB-CD2 4.39Å; A312-V341 HydrophobicContact CB-CG1 4.1Å; A312-H345 VanDerWaalsContact CB-CE1 3.49Å; A312-H345 WeakPolarHBondContact CB-CE1 3.24Å
313E94.4Very high96.3Very high73 Ų7333.6 Ų33.634%0.34117%0.17SC..Hα-helixtrans-56.5-29.7176.4-172.5-87.6163.700112.7N72 T309 M311 I315 V502N72-E313 PolarHBondContact ND2-OE1 2.98Å; T309-E313 PolarHBondContact O-N 3.07Å; M311-E313 VanDerWaalsContact C-N 3.32Å; M311-E313 PolarHBondContact O-N 2.93Å; E313-I315 VanDerWaalsContact C-N 3.25Å; E313-I315 PolarHBondContact O-N 2.84Å; E313-V502 HydrophobicContact CB-CG2 4.16Å; E313-V502 HydrophobicContact CG-CG1 4.31Å; E313-V502 HydrophobicContact CG-CG2 4.28Å
314R93.3Very high96.3Very high11 Ų1133.4 Ų33.44%0.04217%0.169CC..THydrogen-bonded Turntrans-80.9-1.9-179.1-64.8-74.6158.3105.75.4114.1M311 A312 P316 I486 V489 A499 P500 L501M311-R314 PolarHBondContact O-N 2.87Å; A312-R314 PolarHBondContact O-N 3.45Å; A312-R314 VanDerWaalsContact O-N 3.13Å; R314-P316 WeakPolarHBondContact O-CD 3.42Å; R314-I486 HydrophobicContact CB-CB 4.35Å; R314-I486 HydrophobicContact CB-CG2 3.91Å; R314-I486 HydrophobicContact CG-CB 4.01Å; R314-I486 HydrophobicContact CG-CG2 4.09Å; R314-I486 PolarHBondContact NH1-O 2.83Å; R314-V489 VanDerWaalsContact O-CG2 3.27Å; R314-V489 WeakPolarHBondContact O-CG2 3.34Å; R314-A499 PolarHBondContact NH1-O 3.47Å; R314-P500 PolarHBondContact NH2-O 3.16Å; R314-L501 HydrophobicContact CG-CD2 3.6Å
315I94.3Very high96.3Very high35 Ų3533.3 Ų33.318%0.17917%0.168CC..SBendtrans-115.396.2-179.4-49.4178.3000108.8A312 E313 E317 L318 V341 L379 L447A312-I315 PolarHBondContact O-N 3.4Å; E313-I315 VanDerWaalsContact C-N 3.25Å; E313-I315 PolarHBondContact O-N 2.84Å; I315-E317 PolarHBondContact O-N 2.85Å; I315-L318 HydrophobicContact CB-CB 4.16Å; I315-L318 HydrophobicContact CB-CD2 4.41Å; I315-L318 HydrophobicContact CD1-CD2 4.41Å; I315-L318 HydrophobicContact CG2-CB 3.96Å; I315-L318 HydrophobicContact CG2-CD1 4.02Å; I315-L318 HydrophobicContact CG2-CG 4.43Å; I315-L318 WeakPolarHBondContact O-CB 3.44Å; I315-L318 PolarHBondContact O-N 2.98Å; I315-V341 HydrophobicContact CD1-CG1 4.17Å; I315-L379 HydrophobicContact CG2-CD2 4.25Å; I315-L447 HydrophobicContact CB-CD2 4.23Å; I315-L447 HydrophobicContact CD1-CD2 4.47Å; I315-L447 HydrophobicContact CG1-CD2 3.85Å; I315-L447 HydrophobicContact CG2-CD2 3.82Å
316P91.8Very high96.2Very high47 Ų4733.2 Ų33.231%0.30517%0.168SC..THydrogen-bonded Turntrans-59139.4177.4-22.332.9000111R314 L318 R446 V489R314-P316 WeakPolarHBondContact O-CD 3.42Å; P316-L318 PolarHBondContact O-N 3.16Å; P316-L318 VanDerWaalsContact O-N 3.15Å; P316-R446 PolarHBondContact O-NH1 3.46Å; P316-R446 PolarHBondContact O-NH2 3.48Å; P316-R446 VanDerWaalsContact O-NH2 3.16Å; P316-V489 HydrophobicContact CG-CB 4.08Å; P316-V489 HydrophobicContact CG-CG1 4.3Å; P316-V489 HydrophobicContact CG-CG2 3.85Å
317E93Very high96Very high186 Ų18633.5 Ų33.587%0.86917%0.169SC*.THydrogen-bonded Turntrans5530.8175-58.4170.7-161.100113.3I315 G319I315-E317 PolarHBondContact O-N 2.85Å; E317-G319 PolarHBondContact O-N 2.85Å
318L96Very high95.8Very high23 Ų2334.1 Ų34.112%0.1217%0.172CC..  trans-59.9124.7174.6-179.164.4000110.7A312 I315 P316 V341 H345 C347 L379A312-L318 HydrophobicContact CB-CD2 4.39Å; I315-L318 HydrophobicContact CB-CB 4.16Å; I315-L318 HydrophobicContact CB-CD2 4.41Å; I315-L318 HydrophobicContact CD1-CD2 4.41Å; I315-L318 HydrophobicContact CG2-CB 3.96Å; I315-L318 HydrophobicContact CG2-CD1 4.02Å; I315-L318 HydrophobicContact CG2-CG 4.43Å; I315-L318 WeakPolarHBondContact O-CB 3.44Å; I315-L318 PolarHBondContact O-N 2.98Å; P316-L318 PolarHBondContact O-N 3.16Å; P316-L318 VanDerWaalsContact O-N 3.15Å; L318-V341 HydrophobicContact CD2-CG1 3.44Å; L318-V341 VanDerWaalsContact CD2-CG1 3.44Å; L318-H345 HydrophobicContact CD2-CB 3.88Å; L318-H345 VanDerWaalsContact CD2-CG 3.42Å; L318-H345 HydrophobicContact CG-CB 3.71Å; L318-C347 WeakPolarHBondContact CD1-SG 3.35Å; L318-L379 HydrophobicContact CD1-CD1 3.58Å
319G96Very high95.5Very high18 Ų1836 Ų3619%0.18618%0.184CC..SBendtrans-173.7-162-17600000116E317 E321 D322 H345 C347E317-G319 PolarHBondContact O-N 2.85Å; G319-E321 PolarHBondContact O-N 2.8Å; G319-D322 PolarHBondContact N-OD2 3.45Å; G319-D322 WeakPolarHBondContact O-CB 3.39Å; G319-D322 PolarHBondContact O-N 2.99Å; G319-H345 CarbonylContact C-O 3.52Å; G319-H345 WeakPolarHBondContact CA-O 3.26Å; G319-C347 PolarHBondContact O-SG 3.13Å
320E96.1Very high95.4Very high79 Ų7935.4 Ų35.437%0.36918%0.181SC..THydrogen-bonded Turntrans-63.9-21.7-172.3-61.9177.8-123.300115.3F99 K102 G346F99-E320 HydrophobicContact CD1-CG 3.6Å; F99-E320 HydrophobicContact CE1-CG 3.46Å; F99-E320 VanDerWaalsContact CE1-CG 3.46Å; F99-E320 WeakPolarHBondContact CE1-OE1 3.48Å; F99-E320 HydrophobicContact CZ-CG 4.43Å; K102-E320 VanDerWaalsContact CD-OE2 3.31Å; K102-E320 WeakPolarHBondContact CD-OE2 3.48Å; K102-E320 WeakPolarHBondContact CE-OE2 3.45Å; K102-E320 WeakPolarHBondContact CG-OE2 3.44Å; K102-E320 IonicContact NZ-OE2 2.78Å; K102-E320 PolarHBondContact NZ-OE2 3.34Å; E320-G346 WeakPolarHBondContact CA-O 3.42Å
321E95.9Very high95.2Very high168 Ų16835.6 Ų35.679%0.78518%0.182SC*.THydrogen-bonded Turntrans-79.6-10.9177.5-61.6-55134.900112.4G319G319-E321 PolarHBondContact O-N 2.8Å
322D97.9Very high95Very high7 Ų735.8 Ų35.84%0.03718%0.183CC..  trans-81.5143.4179.5-76.4-57.4000113.7G319 C347 R348 T378 L379 R446G319-D322 PolarHBondContact N-OD2 3.45Å; G319-D322 WeakPolarHBondContact O-CB 3.39Å; G319-D322 PolarHBondContact O-N 2.99Å; D322-C347 HydrophobicContact CB-CB 4.28Å; D322-R348 PolarHBondContact O-N 3.05Å; D322-T378 VanDerWaalsContact CA-OG1 3.3Å; D322-T378 WeakPolarHBondContact CA-OG1 3.38Å; D322-T378 WeakPolarHBondContact OD1-CB 3.48Å; D322-T378 PolarHBondContact OD1-OG1 3.44Å; D322-L379 HydrophobicContact CB-CD1 3.82Å; D322-L379 HydrophobicContact CB-CG 4.22Å; D322-R446 VanDerWaalsContact CG-NH2 3.32Å; D322-R446 IonicContact OD1-CZ 3.72Å; D322-R446 IonicContact OD1-NE 3.36Å; D322-R446 PolarHBondContact OD1-NE 2.84Å; D322-R446 IonicContact OD1-NH2 2.84Å; D322-R446 PolarHBondContact OD1-NH2 2.88Å; D322-R446 IonicContact OD2-CZ 3.71Å; D322-R446 IonicContact OD2-NE 3.84Å; D322-R446 IonicContact OD2-NH2 2.67Å; D322-R446 PolarHBondContact OD2-NH2 3.06Å
323V98.3Very high95Very high4 Ų435.7 Ų35.72%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-127.3111.8-179.3-171.30000107.8R348 L375 P377 T378 L379V323-R348 CarbonylContact C-O 3.19Å; V323-R348 WeakPolarHBondContact CA-O 3.49Å; V323-R348 HydrophobicContact CB-CG 4.19Å; V323-R348 HydrophobicContact CG1-CG 3.94Å; V323-R348 HydrophobicContact CG2-CG 3.93Å; V323-R348 VanDerWaalsContact CG2-NH2 3.35Å; V323-L375 HydrophobicContact CG1-CD1 3.63Å; V323-L375 HydrophobicContact CG1-CD2 4.16Å; V323-L375 HydrophobicContact CG1-CG 3.65Å; V323-P377 CarbonylContact O-C 3.59Å; V323-P377 WeakPolarHBondContact O-CA 3.13Å; V323-T378 PolarHBondContact N-OG1 2.83Å; V323-T378 PolarHBondContact O-N 3.34Å; V323-T378 PolarHBondContact O-OG1 3.39Å; V323-L379 PolarHBondContact O-N 3.01Å
324Y98.5Very high95Very high6 Ų633.4 Ų33.42%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-95.5140.7176.1-176.5-106.2000110.4E335 A338 E339 C342 R348 I349 G350 L379 A381Y324-E335 PolarHBondContact OH-OE2 3.3Å; Y324-A338 HydrophobicContact CE1-CB 4.47Å; Y324-A338 HydrophobicContact CE2-CB 4.17Å; Y324-A338 VanDerWaalsContact OH-CB 3.31Å; Y324-A338 WeakPolarHBondContact OH-CB 3.41Å; Y324-E339 HydrophobicContact CD1-CG 4.12Å; Y324-E339 HydrophobicContact CE1-CG 3.75Å; Y324-C342 VanDerWaalsContact CB-SG 3.56Å; Y324-R348 PolarHBondContact N-O 3.46Å; Y324-I349 HydrophobicContact CD1-CG1 4.28Å; Y324-I349 HydrophobicContact CD1-CG2 4.12Å; Y324-I349 WeakPolarHBondContact O-CA 3.3Å; Y324-G350 PolarHBondContact O-N 3.01Å; Y324-L379 HydrophobicContact CD2-CB 3.94Å; Y324-A381 HydrophobicContact CE2-CB 4.24Å; Y324-A381 WeakPolarHBondContact OH-CB 3.49Å
325I97.8Very high95.1Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-102.6109.8172.5-170.9160.5000109.7Y327 G350 L357 D371 T372 L375 P377 L379 M380I325-Y327 HydrophobicContact CG2-CD1 4.43Å; I325-G350 WeakPolarHBondContact CA-O 3.38Å; I325-L357 HydrophobicContact CD1-CD1 3.49Å; I325-L357 VanDerWaalsContact CD1-CD1 3.49Å; I325-L357 HydrophobicContact CG1-CD1 4.16Å; I325-D371 HydrophobicContact CD1-CB 4.19Å; I325-T372 HydrophobicContact CD1-CG2 3.74Å; I325-L375 HydrophobicContact CB-CD2 3.84Å; I325-L375 HydrophobicContact CD1-CD2 4.12Å; I325-L375 HydrophobicContact CG1-CD2 3.93Å; I325-P377 HydrophobicContact CB-CB 3.98Å; I325-P377 HydrophobicContact CB-CG 4.18Å; I325-P377 HydrophobicContact CD1-CG 4.42Å; I325-P377 HydrophobicContact CG2-CB 3.99Å; I325-P377 HydrophobicContact CG2-CG 4.03Å; I325-L379 PolarHBondContact N-O 3.29Å; I325-M380 HydrophobicContact CG2-CB 4.02Å; I325-M380 HydrophobicContact CG2-CG 3.81Å; I325-M380 HydrophobicContact CG2-SD 4.34Å
326G96.9Very high95.3Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-92.4114.1179.900000110.9E335 G350 Y351 S352G326-E335 WeakPolarHBondContact CA-OE1 3.47Å; G326-G350 PolarHBondContact N-O 2.64Å; G326-Y351 CarbonylContact O-C 3.55Å; G326-Y351 WeakPolarHBondContact O-CA 3.12Å; G326-S352 PolarHBondContact O-N 2.79Å
327Y93.9Very high95.6Very high5 Ų529.1 Ų29.12%0.0215%0.147CC..  trans-151.5-14-176.575.6-77.9000114.1I325 E335 S352 P354 L357 M380 A381 A382 I386I325-Y327 HydrophobicContact CG2-CD1 4.43Å; Y327-E335 PolarHBondContact N-OE1 2.82Å; Y327-S352 WeakPolarHBondContact CA-O 3.42Å; Y327-P354 HydrophobicContact CD2-CG 4.14Å; Y327-L357 HydrophobicContact CD1-CD1 4.12Å; Y327-L357 HydrophobicContact CD2-CD1 4.46Å; Y327-L357 HydrophobicContact CD2-CD2 4.45Å; Y327-L357 HydrophobicContact CE1-CD1 4.48Å; Y327-L357 HydrophobicContact CE2-CD2 4.22Å; Y327-L357 HydrophobicContact CG-CD1 4.13Å; Y327-M380 HydrophobicContact CE1-CE 3.64Å; Y327-M380 HydrophobicContact CE1-CG 4.22Å; Y327-M380 VanDerWaalsContact OH-CE 3.3Å; Y327-M380 WeakPolarHBondContact OH-CE 3.28Å; Y327-A381 VanDerWaalsContact CE1-O 3.23Å; Y327-A381 WeakPolarHBondContact CE1-O 3.27Å; Y327-A381 PolarHBondContact OH-O 2.64Å; Y327-A382 VanDerWaalsContact OH-CA 3.31Å; Y327-A382 WeakPolarHBondContact OH-CA 3.35Å; Y327-A382 WeakPolarHBondContact OH-CB 3.19Å; Y327-I386 HydrophobicContact CE2-CD1 4.39Å; Y327-I386 HydrophobicContact CE2-CG1 4.18Å; Y327-I386 HydrophobicContact CE2-CG2 4.47Å
328L92.3Very high95.8Very high13 Ų1321 Ų217%0.06811%0.112CC..SBendtrans-76.2159.9170-55172.6000108.5T168 L330 L334 E335 A381 V383T168-L328 WeakPolarHBondContact CB-O 3.24Å; T168-L328 WeakPolarHBondContact CG2-O 3.41Å; T168-L328 PolarHBondContact OG1-O 2.77Å; L328-L330 PolarHBondContact O-N 3.49Å; L328-L334 HydrophobicContact CD1-CD2 4.08Å; L328-E335 HydrophobicContact CB-CB 4.05Å; L328-E335 HydrophobicContact CB-CG 4.14Å; L328-E335 VanDerWaalsContact CB-OE2 3.29Å; L328-E335 WeakPolarHBondContact CB-OE2 3.31Å; L328-E335 WeakPolarHBondContact CD1-OE2 3.36Å; L328-E335 PolarHBondContact N-OE1 2.78Å; L328-E335 WeakPolarHBondContact O-CG 3.44Å; L328-A381 HydrophobicContact CD1-CB 4.22Å; L328-V383 HydrophobicContact CD1-CG1 4.41Å; L328-V383 HydrophobicContact CD2-CG1 4.27Å; L328-V383 HydrophobicContact CD2-CG2 4.43Å
329P91.8Very high95.9Very high40 Ų4020 Ų2026%0.2611%0.107SC..  trans-61.3124.4179.9-24.535.2000112.3T168 Y190 A331 H332 E335T168-P329 VanDerWaalsContact OG1-CA 3.29Å; T168-P329 WeakPolarHBondContact OG1-CA 3.47Å; Y190-P329 HydrophobicContact CD1-CB 3.88Å; Y190-P329 HydrophobicContact CD1-CG 4.22Å; Y190-P329 HydrophobicContact CE1-CB 3.97Å; Y190-P329 HydrophobicContact CE1-CG 4.29Å; P329-A331 PolarHBondContact O-N 2.91Å; P329-H332 VanDerWaalsContact O-CB 3.27Å; P329-H332 WeakPolarHBondContact O-CB 3.44Å; P329-H332 PolarHBondContact O-N 3.37Å; P329-E335 WeakPolarHBondContact O-CB 3.43Å
330L95.3Very high96.1Very high1 Ų119.4 Ų19.41%0.00510%0.099CC..THydrogen-bonded Turntrans-65.1-17.9173.8-87.6167.5000113.1T168 W172 M173 L328 H332 E335 E339 Y351T168-L330 HydrophobicContact CG2-CD1 3.81Å; T168-L330 HydrophobicContact CG2-CG 3.88Å; T168-L330 PolarHBondContact OG1-N 3.26Å; W172-L330 HydrophobicContact CB-CD1 3.81Å; W172-L330 HydrophobicContact CD2-CB 3.54Å; W172-L330 HydrophobicContact CD2-CD1 3.64Å; W172-L330 HydrophobicContact CD2-CG 4.13Å; W172-L330 HydrophobicContact CE3-CB 3.74Å; W172-L330 HydrophobicContact CE3-CD1 3.55Å; W172-L330 HydrophobicContact CE3-CD2 4.05Å; W172-L330 HydrophobicContact CE3-CG 3.99Å; W172-L330 HydrophobicContact CG-CB 4.08Å; W172-L330 HydrophobicContact CG-CD1 3.75Å; W172-L330 HydrophobicContact CH2-CB 3.96Å; W172-L330 WeakPolarHBondContact CH2-O 3.49Å; W172-L330 HydrophobicContact CZ2-CB 3.74Å; W172-L330 WeakPolarHBondContact CZ2-O 3.5Å; W172-L330 HydrophobicContact CZ3-CB 3.95Å; W172-L330 HydrophobicContact CZ3-CD1 4.33Å; W172-L330 HydrophobicContact CZ3-CD2 4.01Å; W172-L330 HydrophobicContact CZ3-CG 4.34Å; M173-L330 HydrophobicContact CE-CD2 3.9Å; L328-L330 PolarHBondContact O-N 3.49Å; L330-H332 PolarHBondContact O-N 2.89Å; L330-E335 HydrophobicContact CD2-CG 4.14Å; L330-E335 HydrophobicContact CG-CG 4.31Å; L330-E339 HydrophobicContact CD2-CG 4.38Å; L330-E339 WeakPolarHBondContact CD2-OE1 3.2Å; L330-Y351 HydrophobicContact CD1-CE1 4.19Å
331A93Very high96.2Very high3 Ų315.8 Ų15.83%0.0258%0.083CC..THydrogen-bonded Turntrans-69.8-5.8167.300000113.6Y190 M285 P329Y190-A331 HydrophobicContact CD1-CB 4.38Å; Y190-A331 HydrophobicContact CD2-CB 4.26Å; Y190-A331 HydrophobicContact CG-CB 4.16Å; M285-A331 WeakPolarHBondContact CG-O 3.25Å; P329-A331 PolarHBondContact O-N 2.91Å
332H92.8Very high96.3Very high23 Ų238 Ų811%0.1065%0.046CC..SBendtrans-104.8133.5175.2-170.5-70.5000110.5Y190 P329 L330 L334 E335 L336Y190-H332 HydrophobicContact CE1-CB 3.96Å; Y190-H332 VanDerWaalsContact OH-CB 3.28Å; Y190-H332 WeakPolarHBondContact OH-CB 3.26Å; Y190-H332 PolarHBondContact OH-CD2 3.08Å; P329-H332 VanDerWaalsContact O-CB 3.27Å; P329-H332 WeakPolarHBondContact O-CB 3.44Å; P329-H332 PolarHBondContact O-N 3.37Å; L330-H332 PolarHBondContact O-N 2.89Å; H332-L334 VanDerWaalsContact C-N 3.25Å; H332-L334 WeakPolarHBondContact ND1-CB 3.49Å; H332-L334 PolarHBondContact ND1-N 3.27Å; H332-L334 VanDerWaalsContact ND1-N 3.13Å; H332-L334 PolarHBondContact O-N 3.44Å; H332-L334 VanDerWaalsContact O-N 3.12Å; H332-E335 PolarHBondContact O-N 2.86Å; H332-E335 VanDerWaalsContact O-N 3.1Å; H332-L336 PolarHBondContact O-N 2.73Å
333V95.6Very high96.3Very high7 Ų77.7 Ų7.74%0.0425%0.045CC..Hα-helixtrans-55.4-36.5-17473.90000113.9M285 E335 L336 S337M285-V333 HydrophobicContact CE-CB 4.32Å; M285-V333 HydrophobicContact SD-CB 3.63Å; M285-V333 HydrophobicContact SD-CG2 4.4Å; M285-V333 PolarHBondContact SD-N 2.66Å; V333-E335 PolarHBondContact O-N 3.36Å; V333-L336 PolarHBondContact O-N 3.29Å; V333-S337 WeakPolarHBondContact O-CB 3.29Å; V333-S337 PolarHBondContact O-N 2.78Å; V333-S337 PolarHBondContact O-OG 3.09Å; V333-S337 VanDerWaalsContact O-OG 3.14Å
334L94.4Very high96.2Very high25 Ų257.5 Ų7.513%0.1314%0.044CC..Hα-helixtrans-55.3-49.8177.217960.6000112.6L328 H332 A338 L449L328-L334 HydrophobicContact CD1-CD2 4.08Å; H332-L334 VanDerWaalsContact C-N 3.25Å; H332-L334 WeakPolarHBondContact ND1-CB 3.49Å; H332-L334 PolarHBondContact ND1-N 3.27Å; H332-L334 VanDerWaalsContact ND1-N 3.13Å; H332-L334 PolarHBondContact O-N 3.44Å; H332-L334 VanDerWaalsContact O-N 3.12Å; L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.46Å; L334-A338 PolarHBondContact O-N 2.73Å; L334-L449 HydrophobicContact CD1-CD2 4.19Å
335E96.2Very high96.2Very high0 Ų08.7 Ų8.70%05%0.05CC..Hα-helixtrans-71.9-44-178.4-165.477155.700110.7Y324 G326 Y327 L328 P329 L330 H332 V333 S337 A338 E339Y324-E335 PolarHBondContact OH-OE2 3.3Å; G326-E335 WeakPolarHBondContact CA-OE1 3.47Å; Y327-E335 PolarHBondContact N-OE1 2.82Å; L328-E335 HydrophobicContact CB-CB 4.05Å; L328-E335 HydrophobicContact CB-CG 4.14Å; L328-E335 VanDerWaalsContact CB-OE2 3.29Å; L328-E335 WeakPolarHBondContact CB-OE2 3.31Å; L328-E335 WeakPolarHBondContact CD1-OE2 3.36Å; L328-E335 PolarHBondContact N-OE1 2.78Å; L328-E335 WeakPolarHBondContact O-CG 3.44Å; P329-E335 WeakPolarHBondContact O-CB 3.43Å; L330-E335 HydrophobicContact CD2-CG 4.14Å; L330-E335 HydrophobicContact CG-CG 4.31Å; H332-E335 PolarHBondContact O-N 2.86Å; H332-E335 VanDerWaalsContact O-N 3.1Å; V333-E335 PolarHBondContact O-N 3.36Å; E335-S337 PolarHBondContact O-N 2.97Å; E335-A338 PolarHBondContact O-N 3.28Å; E335-E339 PolarHBondContact O-N 2.96Å
336L98.1Very high96.2Very high2 Ų28.8 Ų8.81%0.015%0.05CC..Hα-helixtrans-56.4-49.8178.2179.761.4000111.3W172 M173 V283 M285 H332 V333 E339 L340W172-L336 HydrophobicContact CH2-CD1 3.95Å; W172-L336 HydrophobicContact CZ3-CD1 3.77Å; M173-L336 HydrophobicContact CE-CD1 4.36Å; V283-L336 HydrophobicContact CG2-CD2 4.27Å; M285-L336 HydrophobicContact CE-CB 4.48Å; M285-L336 HydrophobicContact CE-CD2 3.65Å; H332-L336 PolarHBondContact O-N 2.73Å; V333-L336 PolarHBondContact O-N 3.29Å; L336-E339 PolarHBondContact O-N 3.36Å; L336-L340 HydrophobicContact CD1-CD1 4.08Å; L336-L340 HydrophobicContact CD1-CG 4.34Å; L336-L340 HydrophobicContact CG-CD1 4.05Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CG 3.29Å; L336-L340 PolarHBondContact O-N 3.35Å
337S97.7Very high96.2Very high2 Ų28.8 Ų8.81%0.0145%0.05CC..Hα-helixtrans-66.6-39.2179.1-63.40000112V333 E335 L340 V341 A481V333-S337 WeakPolarHBondContact O-CB 3.29Å; V333-S337 PolarHBondContact O-N 2.78Å; V333-S337 PolarHBondContact O-OG 3.09Å; V333-S337 VanDerWaalsContact O-OG 3.14Å; E335-S337 PolarHBondContact O-N 2.97Å; S337-L340 PolarHBondContact O-N 3.33Å; S337-V341 VanDerWaalsContact O-CG2 3.29Å; S337-V341 WeakPolarHBondContact O-CG2 3.23Å; S337-V341 PolarHBondContact O-N 2.67Å; S337-A481 PolarHBondContact OG-O 3.39Å
338A97.8Very high96.4Very high16 Ų1612.6 Ų12.613%0.1327%0.065CC..Hα-helixtrans-63.3-44.2177.100000112.3Y324 L334 E335 V341 C342Y324-A338 HydrophobicContact CE1-CB 4.47Å; Y324-A338 HydrophobicContact CE2-CB 4.17Å; Y324-A338 VanDerWaalsContact OH-CB 3.31Å; Y324-A338 WeakPolarHBondContact OH-CB 3.41Å; L334-A338 VanDerWaalsContact O-CB 3.26Å; L334-A338 WeakPolarHBondContact O-CB 3.46Å; L334-A338 PolarHBondContact O-N 2.73Å; E335-A338 PolarHBondContact O-N 3.28Å; A338-V341 PolarHBondContact O-N 2.91Å; A338-C342 PolarHBondContact O-N 2.86Å; A338-C342 PolarHBondContact O-SG 2.99Å
339E98.5Very high96.7Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-66.6-37.7175.9-73.7-166.9-149.600112.1M173 Y324 L330 E335 L336 C342 L343 I349 Y351M173-E339 HydrophobicContact CE-CB 3.66Å; M173-E339 HydrophobicContact CE-CG 4.44Å; M173-E339 WeakPolarHBondContact CE-OE2 3.31Å; Y324-E339 HydrophobicContact CD1-CG 4.12Å; Y324-E339 HydrophobicContact CE1-CG 3.75Å; L330-E339 HydrophobicContact CD2-CG 4.38Å; L330-E339 WeakPolarHBondContact CD2-OE1 3.2Å; E335-E339 PolarHBondContact O-N 2.96Å; L336-E339 PolarHBondContact O-N 3.36Å; E339-C342 PolarHBondContact O-N 3.04Å; E339-L343 VanDerWaalsContact O-CB 3.22Å; E339-L343 WeakPolarHBondContact O-CB 3.31Å; E339-L343 PolarHBondContact O-N 3.26Å; E339-I349 HydrophobicContact CB-CD1 3.92Å; E339-I349 HydrophobicContact CG-CD1 4.04Å; E339-I349 HydrophobicContact CG-CG2 4.29Å; E339-Y351 VanDerWaalsContact OE1-CE1 3.32Å; E339-Y351 WeakPolarHBondContact OE1-CE1 3.42Å; E339-Y351 PolarHBondContact OE2-OH 3.39Å
340L98.6Very high97.1Very high6 Ų610 Ų103%0.0315%0.049CC..Hα-helixtrans-67.3-36.8175.8-71.3173.6000112.7L88 I304 I308 L336 S337 S344L88-L340 HydrophobicContact CD2-CD1 4.05Å; L88-L340 HydrophobicContact CD2-CD2 4.41Å; I304-L340 HydrophobicContact CG2-CD1 3.56Å; I308-L340 HydrophobicContact CD1-CB 4.47Å; I308-L340 HydrophobicContact CG2-CB 4.03Å; L336-L340 HydrophobicContact CD1-CD1 4.08Å; L336-L340 HydrophobicContact CD1-CG 4.34Å; L336-L340 HydrophobicContact CG-CD1 4.05Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CG 3.29Å; L336-L340 PolarHBondContact O-N 3.35Å; S337-L340 PolarHBondContact O-N 3.33Å; L340-S344 WeakPolarHBondContact O-CB 3.27Å; L340-S344 PolarHBondContact O-N 2.97Å; L340-S344 PolarHBondContact O-OG 3.15Å
341V98.2Very high97.2Very high4 Ų410.6 Ų10.62%0.0245%0.051CC..Hα-helixtrans-60.3-48.3169.9168.20000110.2I308 M311 A312 I315 L318 S337 A338 S344 H345I308-V341 HydrophobicContact CB-CG2 3.64Å; I308-V341 HydrophobicContact CG2-CG2 3.96Å; M311-V341 HydrophobicContact CB-CG2 3.92Å; A312-V341 HydrophobicContact CB-CG1 4.1Å; I315-V341 HydrophobicContact CD1-CG1 4.17Å; L318-V341 HydrophobicContact CD2-CG1 3.44Å; L318-V341 VanDerWaalsContact CD2-CG1 3.44Å; S337-V341 VanDerWaalsContact O-CG2 3.29Å; S337-V341 WeakPolarHBondContact O-CG2 3.23Å; S337-V341 PolarHBondContact O-N 2.67Å; A338-V341 PolarHBondContact O-N 2.91Å; V341-S344 PolarHBondContact O-N 2.82Å; V341-S344 PolarHBondContact O-OG 2.91Å; V341-H345 PolarHBondContact O-N 3.36Å; V341-H345 PolarHBondContact O-ND1 2.76Å
342C98.3Very high97.3Very high3 Ų311 Ų112%0.025%0.054CC..Hα-helixtrans-62.6-49.3179.4-68.10000112Y324 A338 E339 S344 H345 G346 C347 I349Y324-C342 VanDerWaalsContact CB-SG 3.56Å; A338-C342 PolarHBondContact O-N 2.86Å; A338-C342 PolarHBondContact O-SG 2.99Å; E339-C342 PolarHBondContact O-N 3.04Å; C342-S344 VanDerWaalsContact C-N 3.31Å; C342-S344 PolarHBondContact O-N 2.6Å; C342-H345 PolarHBondContact O-N 3.03Å; C342-H345 VanDerWaalsContact O-N 3.14Å; C342-G346 PolarHBondContact O-N 2.71Å; C342-C347 HydrophobicContact CB-CB 3.71Å; C342-C347 VanDerWaalsContact O-CB 3.27Å; C342-C347 WeakPolarHBondContact O-CB 3.15Å; C342-C347 PolarHBondContact O-N 2.98Å; C342-C347 VanDerWaalsContact O-N 3.08Å; C342-C347 PolarHBondContact O-SG 2.93Å; C342-I349 HydrophobicContact CB-CD1 4.14Å; C342-I349 HydrophobicContact CB-CG1 4.08Å
343L98.1Very high97.2Very high2 Ų211.3 Ų11.31%0.016%0.059CC..Hα-helixtrans-59.7-41.4-179.7178.8157.8000111.4F92 A95 L104 Y137 M173 E339 H345F92-L343 HydrophobicContact CD2-CD1 4.4Å; F92-L343 HydrophobicContact CD2-CD2 3.79Å; F92-L343 HydrophobicContact CD2-CG 4.49Å; F92-L343 HydrophobicContact CE2-CD1 4.48Å; F92-L343 HydrophobicContact CE2-CD2 4.49Å; A95-L343 HydrophobicContact CB-CD2 4.34Å; L104-L343 HydrophobicContact CD1-CB 4.12Å; L104-L343 HydrophobicContact CD1-CD1 4.32Å; L104-L343 HydrophobicContact CD1-CG 3.99Å; L104-L343 HydrophobicContact CD2-CD1 3.97Å; L104-L343 HydrophobicContact CD2-CG 4.09Å; Y137-L343 HydrophobicContact CE1-CG 4.29Å; Y137-L343 VanDerWaalsContact CE1-O 3.27Å; Y137-L343 WeakPolarHBondContact CE1-O 2.89Å; Y137-L343 PolarHBondContact OH-O 3.42Å; M173-L343 HydrophobicContact CG-CD1 4.46Å; M173-L343 HydrophobicContact SD-CD1 4.48Å; E339-L343 VanDerWaalsContact O-CB 3.22Å; E339-L343 WeakPolarHBondContact O-CB 3.31Å; E339-L343 PolarHBondContact O-N 3.26Å; L343-H345 PolarHBondContact O-N 2.84Å
344S97.6Very high96.7Very high0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-67.1-21.718053.70000113.9L81 Y82 L340 V341 C342L81-S344 VanDerWaalsContact CD2-CB 3.5Å; L81-S344 WeakPolarHBondContact CD2-OG 3.47Å; Y82-S344 PolarHBondContact OH-O 2.79Å; Y82-S344 VanDerWaalsContact OH-O 3.04Å; L340-S344 WeakPolarHBondContact O-CB 3.27Å; L340-S344 PolarHBondContact O-N 2.97Å; L340-S344 PolarHBondContact O-OG 3.15Å; V341-S344 PolarHBondContact O-N 2.82Å; V341-S344 PolarHBondContact O-OG 2.91Å; C342-S344 VanDerWaalsContact C-N 3.31Å; C342-S344 PolarHBondContact O-N 2.6Å
345H97.7Very high96.3Very high31 Ų3115 Ų1514%0.1448%0.077CC..THydrogen-bonded Turntrans-106.77.4-174.9-68.576.9000115.1F99 A312 L318 G319 V341 C342 L343F99-H345 VanDerWaalsContact CE2-C 3.48Å; F99-H345 WeakPolarHBondContact CZ-O 3.48Å; A312-H345 VanDerWaalsContact CB-CE1 3.49Å; A312-H345 WeakPolarHBondContact CB-CE1 3.24Å; L318-H345 HydrophobicContact CD2-CB 3.88Å; L318-H345 VanDerWaalsContact CD2-CG 3.42Å; L318-H345 HydrophobicContact CG-CB 3.71Å; G319-H345 CarbonylContact C-O 3.52Å; G319-H345 WeakPolarHBondContact CA-O 3.26Å; V341-H345 PolarHBondContact O-N 3.36Å; V341-H345 PolarHBondContact O-ND1 2.76Å; C342-H345 PolarHBondContact O-N 3.03Å; C342-H345 VanDerWaalsContact O-N 3.14Å; L343-H345 PolarHBondContact O-N 2.84Å
346G97.5Very high96Very high1 Ų115.7 Ų15.71%0.018%0.081CC..THydrogen-bonded Turntrans87.25.3178.500000114.2F99 Y137 E320 C342F99-G346 VanDerWaalsContact CD2-CA 3.41Å; F99-G346 VanDerWaalsContact CE2-CA 3.5Å; Y137-G346 WeakPolarHBondContact OH-CA 3.4Å; Y137-G346 PolarHBondContact OH-N 3.44Å; E320-G346 WeakPolarHBondContact CA-O 3.42Å; C342-G346 PolarHBondContact O-N 2.71Å
347C98.1Very high95.5Very high0 Ų016.1 Ų16.10%08%0.084CC..  trans-68.2153.5-179.7-550000110.7Y137 L318 G319 D322 C342Y137-C347 PolarHBondContact OH-O 3.24Å; L318-C347 WeakPolarHBondContact CD1-SG 3.35Å; G319-C347 PolarHBondContact O-SG 3.13Å; D322-C347 HydrophobicContact CB-CB 4.28Å; C342-C347 HydrophobicContact CB-CB 3.71Å; C342-C347 VanDerWaalsContact O-CB 3.27Å; C342-C347 WeakPolarHBondContact O-CB 3.15Å; C342-C347 PolarHBondContact O-N 2.98Å; C342-C347 VanDerWaalsContact O-N 3.08Å; C342-C347 PolarHBondContact O-SG 2.93Å
348R97.9Very high95Very high85 Ų8517.4 Ų17.432%0.3219%0.094SC..EExtended strand (participates in β ladder)trans-98.4137.1170.674.5-174-175.5-148.8-4.2111.2R103 W134 D322 V323 Y324R103-R348 HydrophobicContact CB-CB 4.31Å; R103-R348 VanDerWaalsContact O-CB 3.25Å; R103-R348 WeakPolarHBondContact O-CB 3.17Å; W134-R348 HydrophobicContact CE3-CB 4.34Å; W134-R348 HydrophobicContact CH2-CB 4.03Å; W134-R348 HydrophobicContact CH2-CG 3.79Å; W134-R348 HydrophobicContact CZ3-CB 3.65Å; W134-R348 HydrophobicContact CZ3-CG 3.96Å; D322-R348 PolarHBondContact O-N 3.05Å; V323-R348 CarbonylContact C-O 3.19Å; V323-R348 WeakPolarHBondContact CA-O 3.49Å; V323-R348 HydrophobicContact CB-CG 4.19Å; V323-R348 HydrophobicContact CG1-CG 3.94Å; V323-R348 HydrophobicContact CG2-CG 3.93Å; V323-R348 VanDerWaalsContact CG2-NH2 3.35Å; Y324-R348 PolarHBondContact N-O 3.46Å
349I98.8Very high94.6Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-110.9113.8-177.6-60.4164.9000108.5L104 L105 G106 W134 Y324 E339 C342 Y351L104-I349 HydrophobicContact CD1-CD1 4.35Å; L104-I349 PolarHBondContact O-N 2.87Å; L105-I349 HydrophobicContact CD2-CB 4.3Å; L105-I349 HydrophobicContact CD2-CD1 4.29Å; G106-I349 PolarHBondContact N-O 3.01Å; W134-I349 WeakPolarHBondContact CZ3-O 3.5Å; Y324-I349 HydrophobicContact CD1-CG1 4.28Å; Y324-I349 HydrophobicContact CD1-CG2 4.12Å; Y324-I349 WeakPolarHBondContact O-CA 3.3Å; E339-I349 HydrophobicContact CB-CD1 3.92Å; E339-I349 HydrophobicContact CG-CD1 4.04Å; E339-I349 HydrophobicContact CG-CG2 4.29Å; C342-I349 HydrophobicContact CB-CD1 4.14Å; C342-I349 HydrophobicContact CB-CG1 4.08Å; I349-Y351 HydrophobicContact CG2-CE1 4.13Å; I349-Y351 HydrophobicContact CG2-CE2 4.24Å
350G98.3Very high93.8Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-98.1119.9172.100000110.6Y324 I325 G326Y324-G350 PolarHBondContact O-N 3.01Å; I325-G350 WeakPolarHBondContact CA-O 3.38Å; G326-G350 PolarHBondContact N-O 2.64Å
351Y97.9Very high93Very high12 Ų1226.5 Ų26.55%0.04714%0.138CC..EExtended strand (participates in β ladder)trans-75.7144.9179.3-69.3-72000112.3L105 G106 Y132 T168 A170 M173 G326 L330 E339 I349L105-Y351 HydrophobicContact CB-CE2 4.13Å; L105-Y351 HydrophobicContact CD2-CE2 3.93Å; L105-Y351 HydrophobicContact CG-CE2 4.38Å; G106-Y351 WeakPolarHBondContact O-CD2 3.41Å; G106-Y351 PolarHBondContact O-N 3.25Å; Y132-Y351 WeakPolarHBondContact CE1-O 3.45Å; Y132-Y351 PolarHBondContact OH-O 3.22Å; T168-Y351 HydrophobicContact CG2-CD1 3.68Å; T168-Y351 HydrophobicContact CG2-CE1 3.84Å; A170-Y351 HydrophobicContact CB-CD2 3.87Å; A170-Y351 HydrophobicContact CB-CE2 3.65Å; A170-Y351 VanDerWaalsContact N-CD2 3.33Å; M173-Y351 WeakPolarHBondContact CB-OH 3.12Å; G326-Y351 CarbonylContact O-C 3.55Å; G326-Y351 WeakPolarHBondContact O-CA 3.12Å; L330-Y351 HydrophobicContact CD1-CE1 4.19Å; E339-Y351 VanDerWaalsContact OE1-CE1 3.32Å; E339-Y351 WeakPolarHBondContact OE1-CE1 3.42Å; E339-Y351 PolarHBondContact OE2-OH 3.39Å; I349-Y351 HydrophobicContact CG2-CE1 4.13Å; I349-Y351 HydrophobicContact CG2-CE2 4.24Å
352S95.1Very high92.3Very high13 Ų1329.3 Ų29.39%0.09116%0.158CC..  trans-151.2-178.2-179.2-179.70000109.2G326 Y327 L357 D371G326-S352 PolarHBondContact O-N 2.79Å; Y327-S352 WeakPolarHBondContact CA-O 3.42Å; S352-L357 WeakPolarHBondContact OG-CA 3.28Å; S352-D371 WeakPolarHBondContact CA-OD2 3.3Å; S352-D371 WeakPolarHBondContact CB-OD2 3.27Å; S352-D371 VanDerWaalsContact OG-CB 3.28Å; S352-D371 WeakPolarHBondContact OG-CB 3.37Å; S352-D371 PolarHBondContact OG-OD2 3.26Å
353S90.1Very high91.6Very high29 Ų2932.6 Ų32.620%0.20317%0.172CC..  trans-137.6159.5170.688.10000110.4Q355 T356 L357S353-Q355 PolarHBondContact O-N 3.43Å; S353-Q355 PolarHBondContact OG-N 3.26Å; S353-Q355 PolarHBondContact OG-OE1 3.03Å; S353-T356 WeakPolarHBondContact CB-OG1 3.38Å; S353-T356 PolarHBondContact N-OG1 3.15Å; S353-T356 PolarHBondContact O-N 2.93Å; S353-T356 PolarHBondContact O-OG1 3.3Å; S353-T356 PolarHBondContact OG-N 3Å; S353-T356 PolarHBondContact OG-OG1 3.11Å; S353-L357 WeakPolarHBondContact O-CB 3.46Å; S353-L357 PolarHBondContact O-N 2.72Å
354P85.1Confident91.1Very high27 Ų2732.8 Ų32.818%0.17517%0.173CC..THydrogen-bonded Turntrans-53.7-27.1174-25.634.5000113.6Y327Y327-P354 HydrophobicContact CD2-CG 4.14Å
355Q85.8Confident90.6Very high83 Ų8336 Ų3639%0.38819%0.187SC..THydrogen-bonded Turntrans-89.9-5.3179.4-48.683.13.600114.1S353 S361 K363S353-Q355 PolarHBondContact O-N 3.43Å; S353-Q355 PolarHBondContact OG-N 3.26Å; S353-Q355 PolarHBondContact OG-OE1 3.03Å; Q355-S361 CarbonylContact O-C 3.49Å; Q355-S361 WeakPolarHBondContact O-CB 3.47Å; Q355-K363 HydrophobicContact CB-CB 3.8Å; Q355-K363 WeakPolarHBondContact O-CA 3.45Å; Q355-K363 WeakPolarHBondContact O-CB 3.31Å; Q355-K363 PolarHBondContact O-N 3.45Å
356T90.2Very high90Very high13 Ų1344.4 Ų44.48%0.0822%0.223CC..THydrogen-bonded Turntrans-123.8-10.2179.250.40000114.1V127 L129 S353 A358 K363 I364 G370 D371V127-T356 HydrophobicContact CG2-CG2 4.25Å; L129-T356 HydrophobicContact CD1-CG2 4.22Å; S353-T356 WeakPolarHBondContact CB-OG1 3.38Å; S353-T356 PolarHBondContact N-OG1 3.15Å; S353-T356 PolarHBondContact O-N 2.93Å; S353-T356 PolarHBondContact O-OG1 3.3Å; S353-T356 PolarHBondContact OG-N 3Å; S353-T356 PolarHBondContact OG-OG1 3.11Å; T356-A358 PolarHBondContact O-N 2.95Å; T356-K363 HydrophobicContact CG2-CB 3.98Å; T356-K363 HydrophobicContact CG2-CD 4.14Å; T356-K363 HydrophobicContact CG2-CG 4.46Å; T356-I364 HydrophobicContact CG2-CD1 4.01Å; T356-G370 WeakPolarHBondContact O-CA 3.47Å; T356-D371 VanDerWaalsContact CB-OD2 3.26Å; T356-D371 WeakPolarHBondContact CB-OD2 3.08Å; T356-D371 PolarHBondContact O-N 2.68Å; T356-D371 VanDerWaalsContact O-N 3.08Å; T356-D371 PolarHBondContact OG1-OD2 3.04Å
357L89Confident89.3Confident12 Ų1248.3 Ų48.36%0.06326%0.263CS..SBendtrans-48.6-51.7-175.9-171.468.9000114.8I325 Y327 S352 S353 D371 T372 M380 I386I325-L357 HydrophobicContact CD1-CD1 3.49Å; I325-L357 VanDerWaalsContact CD1-CD1 3.49Å; I325-L357 HydrophobicContact CG1-CD1 4.16Å; Y327-L357 HydrophobicContact CD1-CD1 4.12Å; Y327-L357 HydrophobicContact CD2-CD1 4.46Å; Y327-L357 HydrophobicContact CD2-CD2 4.45Å; Y327-L357 HydrophobicContact CE1-CD1 4.48Å; Y327-L357 HydrophobicContact CE2-CD2 4.22Å; Y327-L357 HydrophobicContact CG-CD1 4.13Å; S352-L357 WeakPolarHBondContact OG-CA 3.28Å; S353-L357 WeakPolarHBondContact O-CB 3.46Å; S353-L357 PolarHBondContact O-N 2.72Å; L357-D371 PolarHBondContact O-N 2.9Å; L357-T372 HydrophobicContact CD1-CG2 3.75Å; L357-T372 HydrophobicContact CG-CG2 3.95Å; L357-T372 WeakPolarHBondContact O-CG2 3.49Å; L357-T372 PolarHBondContact O-N 3.11Å; L357-T372 PolarHBondContact O-OG1 3.47Å; L357-T372 VanDerWaalsContact O-OG1 3.08Å; L357-M380 HydrophobicContact CD1-CE 4.45Å; L357-M380 HydrophobicContact CD2-CE 3.91Å; L357-I386 HydrophobicContact CD2-CG2 4.39Å
358A87.5Confident88.9Confident29 Ų2949.7 Ų49.724%0.2427%0.273CS..SBendtrans-114.3160-177.100000111.3T356 Q360 S361T356-A358 PolarHBondContact O-N 2.95Å; A358-Q360 PolarHBondContact O-N 3.4Å; A358-S361 PolarHBondContact N-OG 3.42Å; A358-S361 VanDerWaalsContact O-CB 3.24Å; A358-S361 WeakPolarHBondContact O-CB 3.39Å; A358-S361 PolarHBondContact O-N 2.76Å; A358-S361 PolarHBondContact O-OG 3.35Å
359D87.6Confident88.6Confident66 Ų6651.6 Ų51.635%0.35328%0.283SS..THydrogen-bonded Turntrans-56.8-23.6177.2-61.5-5000113.5K369 G370 S373D359-K369 WeakPolarHBondContact OD1-CA 3.35Å; D359-G370 PolarHBondContact OD1-N 3.23Å; D359-S373 VanDerWaalsContact CG-OG 3.24Å; D359-S373 VanDerWaalsContact OD1-CB 3.23Å; D359-S373 WeakPolarHBondContact OD1-CB 3.44Å; D359-S373 PolarHBondContact OD1-OG 3.32Å; D359-S373 PolarHBondContact OD2-OG 3.23Å
360Q82.3Confident88.3Confident126 Ų12651.6 Ų51.659%0.58928%0.283SS*.THydrogen-bonded Turntrans-99.33.7179.3-63.7-179-28.300113.1A358A358-Q360 PolarHBondContact O-N 3.4Å
361S82.9Confident88.1Confident20 Ų2051.7 Ų51.714%0.1428%0.284CS..SBendtrans-66152.9-179.2-67.80000111.7Q355 A358 K363 I364Q355-S361 CarbonylContact O-C 3.49Å; Q355-S361 WeakPolarHBondContact O-CB 3.47Å; A358-S361 PolarHBondContact N-OG 3.42Å; A358-S361 VanDerWaalsContact O-CB 3.24Å; A358-S361 WeakPolarHBondContact O-CB 3.39Å; A358-S361 PolarHBondContact O-N 2.76Å; A358-S361 PolarHBondContact O-OG 3.35Å; S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 2.8Å; S361-K363 VanDerWaalsContact O-N 3.15Å; S361-I364 PolarHBondContact O-N 2.8Å
362S81.9Confident87.9Confident63 Ų6351.1 Ų51.144%0.44128%0.282SS..THydrogen-bonded Turntrans-63-24.8-167.454.60000115.1K126K126-S362 WeakPolarHBondContact CD-O 3.24Å; K126-S362 WeakPolarHBondContact CE-O 3.37Å; K126-S362 PolarHBondContact NZ-O 2.89Å
363K84.6Confident87.8Confident73 Ų7351.8 Ų51.832%0.31729%0.286SS..THydrogen-bonded Turntrans-91.4-15.7177.9-152.8178.4-179.3173.40112.3K125 K126 V127 Q355 T356 S361K125-K363 WeakPolarHBondContact O-CG 3.17Å; K126-K363 CarbonylContact C-O 3.54Å; K126-K363 VanDerWaalsContact CA-O 3.31Å; K126-K363 WeakPolarHBondContact CA-O 3.45Å; V127-K363 HydrophobicContact CG1-CD 4.31Å; V127-K363 HydrophobicContact CG1-CG 4.14Å; V127-K363 HydrophobicContact CG2-CD 4.44Å; V127-K363 HydrophobicContact CG2-CG 4.06Å; V127-K363 WeakPolarHBondContact CG2-O 3.21Å; V127-K363 PolarHBondContact N-O 2.83Å; Q355-K363 HydrophobicContact CB-CB 3.8Å; Q355-K363 WeakPolarHBondContact O-CA 3.45Å; Q355-K363 WeakPolarHBondContact O-CB 3.31Å; Q355-K363 PolarHBondContact O-N 3.45Å; T356-K363 HydrophobicContact CG2-CB 3.98Å; T356-K363 HydrophobicContact CG2-CD 4.14Å; T356-K363 HydrophobicContact CG2-CG 4.46Å; S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 2.8Å; S361-K363 VanDerWaalsContact O-N 3.15Å
364I87.7Confident88.1Confident5 Ų552.4 Ų52.43%0.02629%0.286CS..BIsolated β-bridgetrans-79.8131.7179.9-60.7-61.9000110.1V127 L129 T356 S361V127-I364 HydrophobicContact CG2-CD1 4.24Å; L129-I364 HydrophobicContact CD1-CD1 3.76Å; L129-I364 HydrophobicContact CG-CD1 4.34Å; T356-I364 HydrophobicContact CG2-CD1 4.01Å; S361-I364 PolarHBondContact O-N 2.8Å
365K87.1Confident88.6Confident69 Ų6951.5 Ų51.530%0.328%0.28SS..PPolyproline II helixtrans-63.8135.5171.4-175.1177.7-180171.30110.2E114 K126 V127 I128 G367 S368E114-K365 IonicContact OE1-NZ 3.35Å; E114-K365 PolarHBondContact OE1-NZ 2.68Å; E114-K365 WeakPolarHBondContact OE2-CD 3.37Å; E114-K365 WeakPolarHBondContact OE2-CE 3.44Å; E114-K365 IonicContact OE2-NZ 4Å; E114-K365 PolarHBondContact OE2-NZ 2.64Å; K126-K365 HydrophobicContact CB-CB 4.29Å; V127-K365 PolarHBondContact O-N 3.43Å; V127-K365 VanDerWaalsContact O-N 3.16Å; I128-K365 HydrophobicContact CD1-CD 3.65Å; I128-K365 HydrophobicContact CG1-CB 4.05Å; I128-K365 HydrophobicContact CG1-CD 3.8Å; K365-G367 PolarHBondContact O-N 3.21Å; K365-S368 VanDerWaalsContact O-CB 3.27Å; K365-S368 WeakPolarHBondContact O-CB 3.5Å; K365-S368 PolarHBondContact O-N 3.24Å
366K84.6Confident89.1Confident206 Ų20652.8 Ų52.890%0.89628%0.284SS*.THydrogen-bonded Turntrans-56.3126.5178.7-169.7178.9-179.2-177.90110.7
367G83.4Confident89.4Confident83 Ų8352.1 Ų52.186%0.85628%0.281SS*.THydrogen-bonded Turntrans95.7-11.1-176.700000114.4K365K365-G367 PolarHBondContact O-N 3.21Å
368S89Confident89.8Confident29 Ų2952.5 Ų52.520%0.20328%0.283CS..SBendtrans-89.2163.2172.5-61.50000112K365K365-S368 VanDerWaalsContact O-CB 3.27Å; K365-S368 WeakPolarHBondContact O-CB 3.5Å; K365-S368 PolarHBondContact O-N 3.24Å
369K90.7Very high90.3Very high125 Ų12551.4 Ų51.454%0.54327%0.273SS..  trans-93.3129.8178.4-66.4179.5178.5176.50111.8R108 D359 M374R108-K369 PolarHBondContact NH1-O 2.88Å; D359-K369 WeakPolarHBondContact OD1-CA 3.35Å; K369-M374 HydrophobicContact CB-CG 3.79Å; K369-M374 HydrophobicContact CB-SD 3.95Å; K369-M374 HydrophobicContact CD-CG 4.32Å; K369-M374 HydrophobicContact CD-SD 3.43Å; K369-M374 WeakPolarHBondContact CD-SD 3.49Å; K369-M374 HydrophobicContact CG-SD 4.35Å
370G92.6Very high90.7Very high0 Ų048.5 Ų48.50%026%0.258CS..  trans-75.9-176.9167.400000112.2T356 D359 M374T356-G370 WeakPolarHBondContact O-CA 3.47Å; D359-G370 PolarHBondContact OD1-N 3.23Å; G370-M374 WeakPolarHBondContact O-CG 3.18Å; G370-M374 PolarHBondContact O-N 2.98Å
371D94.9Very high91.3Very high3 Ų342.6 Ų42.62%0.01623%0.23CC..Hα-helixtrans-74.9-40-166.7-63.8-29.7000113.5R108 Y132 I325 S352 T356 L357 S373 M374 L375R108-D371 WeakPolarHBondContact CD-OD1 3.34Å; R108-D371 IonicContact NE-OD1 3.23Å; R108-D371 IonicContact NH1-OD1 3.97Å; R108-D371 PolarHBondContact NH1-OD1 3.48Å; Y132-D371 WeakPolarHBondContact OH-CB 3.28Å; I325-D371 HydrophobicContact CD1-CB 4.19Å; S352-D371 WeakPolarHBondContact CA-OD2 3.3Å; S352-D371 WeakPolarHBondContact CB-OD2 3.27Å; S352-D371 VanDerWaalsContact OG-CB 3.28Å; S352-D371 WeakPolarHBondContact OG-CB 3.37Å; S352-D371 PolarHBondContact OG-OD2 3.26Å; T356-D371 VanDerWaalsContact CB-OD2 3.26Å; T356-D371 WeakPolarHBondContact CB-OD2 3.08Å; T356-D371 PolarHBondContact O-N 2.68Å; T356-D371 VanDerWaalsContact O-N 3.08Å; T356-D371 PolarHBondContact OG1-OD2 3.04Å; L357-D371 PolarHBondContact O-N 2.9Å; D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 2.87Å; D371-M374 PolarHBondContact O-N 2.79Å; D371-M374 VanDerWaalsContact O-N 3.16Å; D371-L375 WeakPolarHBondContact O-CB 3.17Å; D371-L375 PolarHBondContact O-N 3.14Å
372T93.8Very high91.6Very high0 Ų041.6 Ų41.60%022%0.224CC..Hα-helixtrans-60.7-39.8176.957.30000112I325 L357 M374 K376 L440 L441 G442I325-T372 HydrophobicContact CD1-CG2 3.74Å; L357-T372 HydrophobicContact CD1-CG2 3.75Å; L357-T372 HydrophobicContact CG-CG2 3.95Å; L357-T372 WeakPolarHBondContact O-CG2 3.49Å; L357-T372 PolarHBondContact O-N 3.11Å; L357-T372 PolarHBondContact O-OG1 3.47Å; L357-T372 VanDerWaalsContact O-OG1 3.08Å; T372-M374 VanDerWaalsContact C-N 3.31Å; T372-M374 PolarHBondContact O-N 2.97Å; T372-K376 WeakPolarHBondContact O-CA 3.33Å; T372-K376 PolarHBondContact O-N 2.99Å; T372-L440 PolarHBondContact OG1-O 3.21Å; T372-L440 VanDerWaalsContact OG1-O 3.12Å; T372-L441 HydrophobicContact CG2-CD2 4.31Å; T372-G442 WeakPolarHBondContact O-CA 3.31Å
373S93.4Very high91.8Very high26 Ų2639.2 Ų39.218%0.18221%0.206CC..Hα-helixtrans-65.4-33.1177.9-67.70000113D359 D371D359-S373 VanDerWaalsContact CG-OG 3.24Å; D359-S373 VanDerWaalsContact OD1-CB 3.23Å; D359-S373 WeakPolarHBondContact OD1-CB 3.44Å; D359-S373 PolarHBondContact OD1-OG 3.32Å; D359-S373 PolarHBondContact OD2-OG 3.23Å; D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 2.87Å
374M95.3Very high91.7Very high42 Ų4236.2 Ų36.221%0.20719%0.194CC..Hα-helixtrans-88.2-45.2-178.6-71.5-59.7-59.300112.6Y132 K369 G370 D371 T372Y132-M374 HydrophobicContact CE2-CB 4.26Å; K369-M374 HydrophobicContact CB-CG 3.79Å; K369-M374 HydrophobicContact CB-SD 3.95Å; K369-M374 HydrophobicContact CD-CG 4.32Å; K369-M374 HydrophobicContact CD-SD 3.43Å; K369-M374 WeakPolarHBondContact CD-SD 3.49Å; K369-M374 HydrophobicContact CG-SD 4.35Å; G370-M374 WeakPolarHBondContact O-CG 3.18Å; G370-M374 PolarHBondContact O-N 2.98Å; D371-M374 PolarHBondContact O-N 2.79Å; D371-M374 VanDerWaalsContact O-N 3.16Å; T372-M374 VanDerWaalsContact C-N 3.31Å; T372-M374 PolarHBondContact O-N 2.97Å
375L96.5Very high91.1Very high9 Ų937.1 Ų37.15%0.04720%0.198CC..Hα-helixtrans-76-35.1-176.8-174.262.3000112.4Y132 W134 V323 I325 D371 P377Y132-L375 HydrophobicContact CD2-CB 4.42Å; Y132-L375 HydrophobicContact CD2-CD1 4.25Å; Y132-L375 HydrophobicContact CE1-CD1 4.4Å; Y132-L375 HydrophobicContact CE2-CB 3.68Å; Y132-L375 HydrophobicContact CE2-CD1 4.07Å; Y132-L375 HydrophobicContact CE2-CG 4.36Å; Y132-L375 HydrophobicContact CG-CD1 4.49Å; W134-L375 HydrophobicContact CH2-CD1 3.75Å; W134-L375 HydrophobicContact CZ2-CD1 3.7Å; V323-L375 HydrophobicContact CG1-CD1 3.63Å; V323-L375 HydrophobicContact CG1-CD2 4.16Å; V323-L375 HydrophobicContact CG1-CG 3.65Å; I325-L375 HydrophobicContact CB-CD2 3.84Å; I325-L375 HydrophobicContact CD1-CD2 4.12Å; I325-L375 HydrophobicContact CG1-CD2 3.93Å; D371-L375 WeakPolarHBondContact O-CB 3.17Å; D371-L375 PolarHBondContact O-N 3.14Å; L375-P377 HydrophobicContact CD2-CB 4.5Å
376K96Very high90.8Very high109 Ų10934.1 Ų34.147%0.47419%0.186SC..  trans49.662.5-172.2-56.9-177.5179.9174.30112.2T372 G442 N444T372-K376 WeakPolarHBondContact O-CA 3.33Å; T372-K376 PolarHBondContact O-N 2.99Å; K376-G442 WeakPolarHBondContact CG-O 3.43Å; K376-N444 HydrophobicContact CB-CB 4.38Å
377P97.1Very high90.7Very high0 Ų024.3 Ų24.30%014%0.143CC..  trans-60.7151.9-175.625.8-34.2000112.5V323 I325 L375 N444 I445V323-P377 CarbonylContact O-C 3.59Å; V323-P377 WeakPolarHBondContact O-CA 3.13Å; I325-P377 HydrophobicContact CB-CB 3.98Å; I325-P377 HydrophobicContact CB-CG 4.18Å; I325-P377 HydrophobicContact CD1-CG 4.42Å; I325-P377 HydrophobicContact CG2-CB 3.99Å; I325-P377 HydrophobicContact CG2-CG 4.03Å; L375-P377 HydrophobicContact CD2-CB 4.5Å; P377-N444 CarbonylContact O-C 3.5Å; P377-I445 HydrophobicContact CB-CD1 3.87Å; P377-I445 HydrophobicContact CG-CD1 3.75Å; P377-I445 HydrophobicContact CG-CG1 4.38Å; P377-I445 WeakPolarHBondContact O-CA 3.41Å; P377-I445 WeakPolarHBondContact O-CD1 3.42Å; P377-I445 PolarHBondContact O-N 3.4Å
378T97.4Very high90.5Very high19 Ų1920.8 Ų20.812%0.11710%0.104CC..SBendtrans-99.8-30.4169.963.10000111.5D322 V323 N444 I445 R446 L447D322-T378 VanDerWaalsContact CA-OG1 3.3Å; D322-T378 WeakPolarHBondContact CA-OG1 3.38Å; D322-T378 WeakPolarHBondContact OD1-CB 3.48Å; D322-T378 PolarHBondContact OD1-OG1 3.44Å; V323-T378 PolarHBondContact N-OG1 2.83Å; V323-T378 PolarHBondContact O-N 3.34Å; V323-T378 PolarHBondContact O-OG1 3.39Å; T378-N444 HydrophobicContact CG2-CB 4.46Å; T378-I445 WeakPolarHBondContact O-CA 3.36Å; T378-R446 WeakPolarHBondContact O-CG 3.37Å; T378-R446 PolarHBondContact O-N 3.32Å; T378-L447 PolarHBondContact O-N 3.45Å
379L97.3Very high89.9Confident7 Ų723.9 Ų23.94%0.03711%0.111CC..EExtended strand (participates in β ladder)trans-121.9140.8-178.4-56.6179.2000110.6I315 L318 D322 V323 Y324 I325 R446 L447I315-L379 HydrophobicContact CG2-CD2 4.25Å; L318-L379 HydrophobicContact CD1-CD1 3.58Å; D322-L379 HydrophobicContact CB-CD1 3.82Å; D322-L379 HydrophobicContact CB-CG 4.22Å; V323-L379 PolarHBondContact O-N 3.01Å; Y324-L379 HydrophobicContact CD2-CB 3.94Å; I325-L379 PolarHBondContact N-O 3.29Å; L379-R446 HydrophobicContact CD2-CG 4.24Å; L379-L447 HydrophobicContact CD2-CB 3.86Å; L379-L447 HydrophobicContact CD2-CD2 4.45Å
380M95.5Very high89.4Confident4 Ų418.8 Ų18.82%0.029%0.09CC..EExtended strand (participates in β ladder)trans-148.8127.4176.9-177.8177178.800110.9I325 Y327 L357 A382 I386 L441 I445 L447 L448 L449I325-M380 HydrophobicContact CG2-CB 4.02Å; I325-M380 HydrophobicContact CG2-CG 3.81Å; I325-M380 HydrophobicContact CG2-SD 4.34Å; Y327-M380 HydrophobicContact CE1-CE 3.64Å; Y327-M380 HydrophobicContact CE1-CG 4.22Å; Y327-M380 VanDerWaalsContact OH-CE 3.3Å; Y327-M380 WeakPolarHBondContact OH-CE 3.28Å; L357-M380 HydrophobicContact CD1-CE 4.45Å; L357-M380 HydrophobicContact CD2-CE 3.91Å; M380-A382 HydrophobicContact CE-CB 4.32Å; M380-I386 HydrophobicContact CE-CG2 4.23Å; M380-L441 HydrophobicContact SD-CD1 4.38Å; M380-L441 HydrophobicContact SD-CD2 4.28Å; M380-I445 HydrophobicContact CB-CD1 3.79Å; M380-L447 PolarHBondContact N-O 2.83Å; M380-L448 VanDerWaalsContact O-CA 3.31Å; M380-L448 WeakPolarHBondContact O-CA 3.24Å; M380-L448 HydrophobicContact SD-CD1 4.35Å; M380-L449 PolarHBondContact O-N 3.34Å
381A94.6Very high88.9Confident2 Ų220.6 Ų20.62%0.01710%0.097CC..EExtended strand (participates in β ladder)trans-89.1145.316200000109.1Y324 Y327 L328 L449Y324-A381 HydrophobicContact CE2-CB 4.24Å; Y324-A381 WeakPolarHBondContact OH-CB 3.49Å; Y327-A381 VanDerWaalsContact CE1-O 3.23Å; Y327-A381 WeakPolarHBondContact CE1-O 3.27Å; Y327-A381 PolarHBondContact OH-O 2.64Å; L328-A381 HydrophobicContact CD1-CB 4.22Å; A381-L449 CarbonylContact C-O 3.48Å; A381-L449 WeakPolarHBondContact CA-O 3.39Å
382A90.8Very high88.1Confident0 Ų022 Ų220%010%0.103CC..EExtended strand (participates in β ladder)trans-147.2168.9171.800000112.3Y327 M380 I386 M387 L449 C450 G451Y327-A382 VanDerWaalsContact OH-CA 3.31Å; Y327-A382 WeakPolarHBondContact OH-CA 3.35Å; Y327-A382 WeakPolarHBondContact OH-CB 3.19Å; M380-A382 HydrophobicContact CE-CB 4.32Å; A382-I386 HydrophobicContact CB-CB 4.28Å; A382-I386 HydrophobicContact CB-CG2 4.25Å; A382-M387 HydrophobicContact CB-CE 3.38Å; A382-M387 HydrophobicContact CB-SD 3.98Å; A382-L449 PolarHBondContact N-O 2.86Å; A382-C450 CarbonylContact O-C 3.54Å; A382-C450 VanDerWaalsContact O-CA 3.31Å; A382-C450 WeakPolarHBondContact O-CA 3.25Å; A382-G451 PolarHBondContact O-N 3.01Å
383V86.2Confident87.3Confident12 Ų1224.9 Ų24.97%0.07312%0.119CC..  trans-107.3157.7171.1-62.50000109.5L328 E385 I386 M387L328-V383 HydrophobicContact CD1-CG1 4.41Å; L328-V383 HydrophobicContact CD2-CG1 4.27Å; L328-V383 HydrophobicContact CD2-CG2 4.43Å; V383-E385 HydrophobicContact CG2-CB 4.22Å; V383-E385 PolarHBondContact O-N 3.42Å; V383-E385 VanDerWaalsContact O-N 3.13Å; V383-I386 HydrophobicContact CG2-CB 4.34Å; V383-I386 HydrophobicContact CG2-CG1 3.73Å; V383-I386 PolarHBondContact O-N 3.46Å; V383-M387 PolarHBondContact O-N 2.83Å
384P81.3Confident86.7Confident10 Ų1023.8 Ų23.87%0.06511%0.111CC..Hα-helixtrans-53.1-37.6-178.1-29.135.3000114.2I386 M387 D388 A453 P454 L455P384-I386 VanDerWaalsContact C-N 3.28Å; P384-I386 PolarHBondContact O-N 3.11Å; P384-M387 WeakPolarHBondContact O-CA 3.21Å; P384-M387 WeakPolarHBondContact O-CB 3.38Å; P384-M387 PolarHBondContact O-N 2.75Å; P384-D388 VanDerWaalsContact O-CG 3.32Å; P384-D388 PolarHBondContact O-N 3.18Å; P384-A453 HydrophobicContact CG-CB 3.84Å; P384-A453 WeakPolarHBondContact CG-O 3.3Å; P384-P454 WeakPolarHBondContact CG-O 3.49Å; P384-L455 HydrophobicContact CB-CD1 4.07Å; P384-L455 HydrophobicContact CG-CB 4.28Å
385E76Confident86.1Confident25 Ų2523.3 Ų23.312%0.11711%0.108CC..Hα-helixtrans-55.1-42.2176-177.764.5-158.300112.9V383 R389 K602 F698V383-E385 HydrophobicContact CG2-CB 4.22Å; V383-E385 PolarHBondContact O-N 3.42Å; V383-E385 VanDerWaalsContact O-N 3.13Å; E385-R389 WeakPolarHBondContact O-CB 3.39Å; E385-R389 PolarHBondContact O-N 3.46Å; E385-K602 WeakPolarHBondContact OE2-CE 3.35Å; E385-K602 IonicContact OE2-NZ 3.01Å; E385-K602 PolarHBondContact OE2-NZ 3.39Å; E385-F698 HydrophobicContact CB-CB 4.05Å; E385-F698 HydrophobicContact CG-CB 3.87Å; E385-F698 HydrophobicContact CG-CD1 4.32Å; E385-F698 HydrophobicContact CG-CG 4.12Å
386I80.8Confident85.2Confident6 Ų625.9 Ų25.93%0.03112%0.122CC..Hα-helixtrans-71.2-38.4178.5-61.7-63.8000110Y327 L357 M380 A382 V383 P384 R389 I390Y327-I386 HydrophobicContact CE2-CD1 4.39Å; Y327-I386 HydrophobicContact CE2-CG1 4.18Å; Y327-I386 HydrophobicContact CE2-CG2 4.47Å; L357-I386 HydrophobicContact CD2-CG2 4.39Å; M380-I386 HydrophobicContact CE-CG2 4.23Å; A382-I386 HydrophobicContact CB-CB 4.28Å; A382-I386 HydrophobicContact CB-CG2 4.25Å; V383-I386 HydrophobicContact CG2-CB 4.34Å; V383-I386 HydrophobicContact CG2-CG1 3.73Å; V383-I386 PolarHBondContact O-N 3.46Å; P384-I386 VanDerWaalsContact C-N 3.28Å; P384-I386 PolarHBondContact O-N 3.11Å; I386-R389 PolarHBondContact O-N 3.35Å; I386-I390 HydrophobicContact CG2-CD1 3.93Å; I386-I390 WeakPolarHBondContact O-CD1 3.37Å; I386-I390 VanDerWaalsContact O-CG1 3.25Å; I386-I390 WeakPolarHBondContact O-CG1 3.34Å; I386-I390 PolarHBondContact O-N 3.03Å
387M82.8Confident84.4Confident0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-61.8-47175-58.1-56.2-171.500112.1A382 V383 P384 R389 I390 Y391 L448 C450 L455 T459 M463A382-M387 HydrophobicContact CB-CE 3.38Å; A382-M387 HydrophobicContact CB-SD 3.98Å; V383-M387 PolarHBondContact O-N 2.83Å; P384-M387 WeakPolarHBondContact O-CA 3.21Å; P384-M387 WeakPolarHBondContact O-CB 3.38Å; P384-M387 PolarHBondContact O-N 2.75Å; M387-R389 VanDerWaalsContact C-N 3.31Å; M387-R389 PolarHBondContact O-N 2.85Å; M387-I390 PolarHBondContact O-N 2.74Å; M387-Y391 WeakPolarHBondContact O-CB 3.25Å; M387-Y391 PolarHBondContact O-N 3.4Å; M387-L448 HydrophobicContact CE-CD1 4.02Å; M387-L448 HydrophobicContact CE-CD2 2.99Å; M387-L448 HydrophobicContact CE-CG 3.79Å; M387-L448 HydrophobicContact SD-CD1 4.09Å; M387-L448 HydrophobicContact SD-CD2 3.92Å; M387-C450 HydrophobicContact CE-CB 3.57Å; M387-L455 HydrophobicContact CB-CD1 3.94Å; M387-L455 HydrophobicContact CG-CD1 4.21Å; M387-T459 HydrophobicContact CB-CG2 4.2Å; M387-M463 HydrophobicContact SD-CE 3.8Å
388D77.6Confident83.6Confident8 Ų824.1 Ų24.14%0.04312%0.115CC..Hα-helixtrans-64.6-38.1-179.9-66.8-23000110.5P384 Y391 K392 T459 K602 N603P384-D388 VanDerWaalsContact O-CG 3.32Å; P384-D388 PolarHBondContact O-N 3.18Å; D388-Y391 WeakPolarHBondContact O-CB 3.22Å; D388-Y391 PolarHBondContact O-N 2.7Å; D388-K392 WeakPolarHBondContact O-CG 3.44Å; D388-K392 PolarHBondContact O-N 3.24Å; D388-T459 PolarHBondContact OD1-OG1 3.07Å; D388-K602 WeakPolarHBondContact OD2-CD 3.5Å; D388-N603 PolarHBondContact OD1-OD1 3.14Å; D388-N603 VanDerWaalsContact OD1-OD1 3.1Å
389R77.3Confident82.7Confident94 Ų9426.3 Ų26.336%0.35513%0.126SC..Hα-helixtrans-62.6-44.4172.9-172-177.7-61.4173.52.6112.1E385 I386 M387 Y391 K392 N393E385-R389 WeakPolarHBondContact O-CB 3.39Å; E385-R389 PolarHBondContact O-N 3.46Å; I386-R389 PolarHBondContact O-N 3.35Å; M387-R389 VanDerWaalsContact C-N 3.31Å; M387-R389 PolarHBondContact O-N 2.85Å; R389-Y391 VanDerWaalsContact C-N 3.35Å; R389-K392 PolarHBondContact O-N 2.89Å; R389-N393 WeakPolarHBondContact O-CB 3.48Å; R389-N393 VanDerWaalsContact O-CG 3.25Å; R389-N393 PolarHBondContact O-N 2.92Å; R389-N393 PolarHBondContact O-ND2 2.76Å
390I80.4Confident81.9Confident18 Ų1833.6 Ų33.69%0.09216%0.16CC..Hα-helixtrans-62.3-45.4175.9-67161.4000110I386 M387 K392 N393 V394 L441 M463 F467I386-I390 HydrophobicContact CG2-CD1 3.93Å; I386-I390 WeakPolarHBondContact O-CD1 3.37Å; I386-I390 VanDerWaalsContact O-CG1 3.25Å; I386-I390 WeakPolarHBondContact O-CG1 3.34Å; I386-I390 PolarHBondContact O-N 3.03Å; M387-I390 PolarHBondContact O-N 2.74Å; I390-K392 PolarHBondContact O-N 2.71Å; I390-N393 PolarHBondContact O-N 3.48Å; I390-V394 HydrophobicContact CG2-CG2 4.2Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 3.13Å; I390-L441 HydrophobicContact CD1-CD1 4.33Å; I390-L441 HydrophobicContact CD1-CD2 3.99Å; I390-M463 HydrophobicContact CB-CE 4.14Å; I390-M463 HydrophobicContact CD1-CE 4.27Å; I390-M463 HydrophobicContact CG2-CE 3.8Å; I390-M463 HydrophobicContact CG2-SD 4.18Å; I390-F467 HydrophobicContact CG2-CE2 3.62Å; I390-F467 HydrophobicContact CG2-CZ 3.39Å
391Y82.7Confident81.2Confident38 Ų3836.5 Ų36.515%0.14917%0.174CC..Hα-helixtrans-53.9-53.7175.7176-86.3000111.5M387 D388 R389 N393 V394 M395 F462M387-Y391 WeakPolarHBondContact O-CB 3.25Å; M387-Y391 PolarHBondContact O-N 3.4Å; D388-Y391 WeakPolarHBondContact O-CB 3.22Å; D388-Y391 PolarHBondContact O-N 2.7Å; R389-Y391 VanDerWaalsContact C-N 3.35Å; Y391-N393 PolarHBondContact O-N 3.14Å; Y391-V394 PolarHBondContact O-N 3.36Å; Y391-M395 HydrophobicContact CD1-CG 4.16Å; Y391-M395 HydrophobicContact CE1-CG 3.72Å; Y391-M395 HydrophobicContact CE2-CG 4.2Å; Y391-M395 WeakPolarHBondContact O-CB 3.47Å; Y391-M395 WeakPolarHBondContact O-CG 3.48Å; Y391-M395 PolarHBondContact O-N 3.34Å; Y391-F462 HydrophobicContact CD2-CB 3.98Å; Y391-F462 AromaticContact CD2-CD1 3.27Å; Y391-F462 HydrophobicContact CD2-CD1 3.27Å; Y391-F462 HydrophobicContact CD2-CD2 4.05Å; Y391-F462 AromaticContact CD2-CE1 3.59Å; Y391-F462 HydrophobicContact CD2-CE1 3.59Å; Y391-F462 HydrophobicContact CD2-CE2 4.33Å; Y391-F462 AromaticContact CD2-CG 3.5Å; Y391-F462 HydrophobicContact CD2-CG 3.5Å; Y391-F462 VanDerWaalsContact CD2-CG 3.5Å; Y391-F462 HydrophobicContact CD2-CZ 4.11Å; Y391-F462 HydrophobicContact CE2-CB 3.88Å; Y391-F462 AromaticContact CE2-CD1 3.74Å; Y391-F462 HydrophobicContact CE2-CD1 3.74Å; Y391-F462 AromaticContact CE2-CD2 3.6Å; Y391-F462 HydrophobicContact CE2-CD2 3.6Å; Y391-F462 HydrophobicContact CE2-CE1 4.08Å; Y391-F462 AromaticContact CE2-CE2 3.97Å; Y391-F462 HydrophobicContact CE2-CE2 3.97Å; Y391-F462 AromaticContact CE2-CG 3.45Å; Y391-F462 HydrophobicContact CE2-CG 3.45Å; Y391-F462 VanDerWaalsContact CE2-CG 3.45Å; Y391-F462 HydrophobicContact CE2-CZ 4.17Å; Y391-F462 HydrophobicContact CG-CD1 4.33Å; Y391-F462 HydrophobicContact CG-CE1 4.37Å
392K77.4Confident80.7Confident34 Ų3439.3 Ų39.315%0.14819%0.193CC..Hα-helixtrans-58.9-45.4179.2-71.9175.7-173.4179.30111.6D388 R389 I390 V394 M395 N396 K602 V607D388-K392 WeakPolarHBondContact O-CG 3.44Å; D388-K392 PolarHBondContact O-N 3.24Å; R389-K392 PolarHBondContact O-N 2.89Å; I390-K392 PolarHBondContact O-N 2.71Å; K392-V394 VanDerWaalsContact C-N 3.34Å; K392-V394 PolarHBondContact O-N 2.86Å; K392-M395 PolarHBondContact O-N 3.26Å; K392-N396 WeakPolarHBondContact O-CB 3.47Å; K392-N396 PolarHBondContact O-N 3.23Å; K392-N396 PolarHBondContact O-ND2 2.85Å; K392-N396 PolarHBondContact O-OD1 3.19Å; K392-K602 PolarHBondContact NZ-O 2.91Å; K392-V607 PolarHBondContact NZ-O 2.7Å
393N77.4Confident80.2Confident60 Ų6042.5 Ų42.532%0.32122%0.216SC..Hα-helixtrans-61.8-40.3178.5-74.2-17.9000112.7R389 I390 Y391 K397R389-N393 WeakPolarHBondContact O-CB 3.48Å; R389-N393 VanDerWaalsContact O-CG 3.25Å; R389-N393 PolarHBondContact O-N 2.92Å; R389-N393 PolarHBondContact O-ND2 2.76Å; I390-N393 PolarHBondContact O-N 3.48Å; Y391-N393 PolarHBondContact O-N 3.14Å; N393-K397 PolarHBondContact O-N 2.81Å
394V80.8Confident79.9Confident3 Ų347.1 Ų47.12%0.01824%0.235CC..Hα-helixtrans-66.5-47.2176.2178.70000110I390 Y391 K392 N396 K397 V398 V437 L440 F462 F467I390-V394 HydrophobicContact CG2-CG2 4.2Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 3.13Å; Y391-V394 PolarHBondContact O-N 3.36Å; K392-V394 VanDerWaalsContact C-N 3.34Å; K392-V394 PolarHBondContact O-N 2.86Å; V394-N396 VanDerWaalsContact C-N 3.35Å; V394-N396 PolarHBondContact O-N 3.05Å; V394-K397 PolarHBondContact O-N 3.16Å; V394-V398 HydrophobicContact CG1-CG2 4.45Å; V394-V398 WeakPolarHBondContact O-CG2 3.29Å; V394-V398 PolarHBondContact O-N 3.32Å; V394-V437 HydrophobicContact CG1-CG1 3.86Å; V394-V437 HydrophobicContact CG1-CG2 4.26Å; V394-V437 HydrophobicContact CG2-CG1 4Å; V394-L440 HydrophobicContact CG2-CD1 3.62Å; V394-F462 HydrophobicContact CB-CE1 4.23Å; V394-F462 HydrophobicContact CB-CZ 4.15Å; V394-F462 HydrophobicContact CG1-CE1 4.14Å; V394-F462 HydrophobicContact CG1-CZ 3.73Å; V394-F467 HydrophobicContact CG2-CZ 4.46Å
395M81.3Confident79.9Confident31 Ų3151.1 Ų51.115%0.15325%0.253CS..Hα-helixtrans-64.7-37.3-179.1-73.9-53-56.900112.9M12 Y391 K392 V398 N399 F462M12-M395 HydrophobicContact CE-CE 3.78Å; M12-M395 HydrophobicContact CE-SD 3.63Å; Y391-M395 HydrophobicContact CD1-CG 4.16Å; Y391-M395 HydrophobicContact CE1-CG 3.72Å; Y391-M395 HydrophobicContact CE2-CG 4.2Å; Y391-M395 WeakPolarHBondContact O-CB 3.47Å; Y391-M395 WeakPolarHBondContact O-CG 3.48Å; Y391-M395 PolarHBondContact O-N 3.34Å; K392-M395 PolarHBondContact O-N 3.26Å; M395-V398 PolarHBondContact O-N 3.07Å; M395-N399 WeakPolarHBondContact O-CB 3.22Å; M395-N399 VanDerWaalsContact O-CG 3.27Å; M395-N399 PolarHBondContact O-N 3.29Å; M395-N399 PolarHBondContact O-ND2 3.08Å; M395-N399 VanDerWaalsContact O-ND2 3.16Å; M395-F462 HydrophobicContact CG-CE2 4.43Å; M395-F462 HydrophobicContact CG-CZ 4.23Å; M395-F462 HydrophobicContact SD-CE2 3.67Å; M395-F462 HydrophobicContact SD-CZ 3.88Å
396N78.9Confident80.3Confident64 Ų6451.4 Ų51.434%0.34225%0.253SS..Hα-helixtrans-60.9-47.5173.8-71.5-12.2000111K392 V394 V398 N399 E400K392-N396 WeakPolarHBondContact O-CB 3.47Å; K392-N396 PolarHBondContact O-N 3.23Å; K392-N396 PolarHBondContact O-ND2 2.85Å; K392-N396 PolarHBondContact O-OD1 3.19Å; V394-N396 VanDerWaalsContact C-N 3.35Å; V394-N396 PolarHBondContact O-N 3.05Å; N396-V398 VanDerWaalsContact C-N 3.31Å; N396-V398 PolarHBondContact O-N 2.93Å; N396-N399 PolarHBondContact O-N 3.43Å; N396-N399 VanDerWaalsContact O-N 3.09Å; N396-E400 WeakPolarHBondContact O-CG 3.33Å; N396-E400 PolarHBondContact O-N 3.27Å
397K78.3Confident80.3Confident67 Ų6751.8 Ų51.829%0.29126%0.255SS..Hα-helixtrans-60.3-39.7174.4-73.1-175.7178.4-177.50112.5N393 V394 N399 E400 M401 L440N393-K397 PolarHBondContact O-N 2.81Å; V394-K397 PolarHBondContact O-N 3.16Å; K397-N399 VanDerWaalsContact C-N 3.32Å; K397-E400 PolarHBondContact O-N 3.49Å; K397-M401 WeakPolarHBondContact O-CG 3.2Å; K397-M401 PolarHBondContact O-N 2.96Å; K397-L440 VanDerWaalsContact NZ-CD2 3.31Å
398V80.4Confident80.3Confident4 Ų454.8 Ų54.82%0.02427%0.271CS..Hα-helixtrans-66.3-34.7176.3171.40000111.6V394 M395 N396 M401 R406 F409V394-V398 HydrophobicContact CG1-CG2 4.45Å; V394-V398 WeakPolarHBondContact O-CG2 3.29Å; V394-V398 PolarHBondContact O-N 3.32Å; M395-V398 PolarHBondContact O-N 3.07Å; N396-V398 VanDerWaalsContact C-N 3.31Å; N396-V398 PolarHBondContact O-N 2.93Å; V398-M401 HydrophobicContact CG2-CE 4.23Å; V398-M401 WeakPolarHBondContact O-CB 3.32Å; V398-M401 PolarHBondContact O-N 2.66Å; V398-R406 HydrophobicContact CG1-CG 4.07Å; V398-F409 HydrophobicContact CG1-CD1 3.81Å; V398-F409 HydrophobicContact CG1-CE1 4.25Å; V398-F409 HydrophobicContact CG1-CG 4.3Å; V398-F409 HydrophobicContact CG2-CD1 3.98Å; V398-F409 HydrophobicContact CG2-CD2 4.25Å; V398-F409 HydrophobicContact CG2-CE1 3.88Å; V398-F409 HydrophobicContact CG2-CE2 4.15Å; V398-F409 HydrophobicContact CG2-CG 4.17Å; V398-F409 HydrophobicContact CG2-CZ 3.96Å
399N78.9Confident80.7Confident66 Ų6654.9 Ų54.935%0.35327%0.271SS..Hα-helixtrans-72.5-29.6176.1-73.1-37.3000112.7M395 N396 K397 M401M395-N399 WeakPolarHBondContact O-CB 3.22Å; M395-N399 VanDerWaalsContact O-CG 3.27Å; M395-N399 PolarHBondContact O-N 3.29Å; M395-N399 PolarHBondContact O-ND2 3.08Å; M395-N399 VanDerWaalsContact O-ND2 3.16Å; N396-N399 PolarHBondContact O-N 3.43Å; N396-N399 VanDerWaalsContact O-N 3.09Å; K397-N399 VanDerWaalsContact C-N 3.32Å; N399-M401 VanDerWaalsContact C-N 3.29Å
400E80.3Confident81.1Confident160 Ų16050.9 Ų50.975%0.74826%0.256SS*.Hα-helixtrans-74.2-16.2173.3-70.2169.4-175.900113.2N396 K397N396-E400 WeakPolarHBondContact O-CG 3.33Å; N396-E400 PolarHBondContact O-N 3.27Å; K397-E400 PolarHBondContact O-N 3.49Å
401M81.6Confident81.2Confident65 Ų6550.9 Ų50.932%0.3226%0.256SS..SBendtrans-69.2154.8178.5-70.8176.4-164.700112.6K397 V398 N399 Q405 R406K397-M401 WeakPolarHBondContact O-CG 3.2Å; K397-M401 PolarHBondContact O-N 2.96Å; V398-M401 HydrophobicContact CG2-CE 4.23Å; V398-M401 WeakPolarHBondContact O-CB 3.32Å; V398-M401 PolarHBondContact O-N 2.66Å; N399-M401 VanDerWaalsContact C-N 3.29Å; M401-Q405 HydrophobicContact CB-CB 3.9Å; M401-Q405 HydrophobicContact CG-CB 4.36Å; M401-Q405 HydrophobicContact SD-CB 4.23Å; M401-R406 HydrophobicContact CB-CB 4.47Å
402S84.3Confident81.4Confident60 Ų6049.5 Ų49.542%0.4225%0.253SS..  trans-56.7151.7170.364.40000111.7F404 Q405 R406S402-F404 PolarHBondContact O-N 2.91Å; S402-F404 VanDerWaalsContact O-N 3.1Å; S402-Q405 PolarHBondContact O-N 3.03Å; S402-Q405 WeakPolarHBondContact OG-CB 3.48Å; S402-Q405 VanDerWaalsContact OG-CG 3.28Å; S402-Q405 WeakPolarHBondContact OG-CG 3.31Å; S402-Q405 PolarHBondContact OG-N 3.04Å; S402-Q405 PolarHBondContact OG-OE1 3.01Å; S402-R406 PolarHBondContact O-N 3.08Å
403S80Confident81.9Confident67 Ų6748.3 Ų48.347%0.46925%0.248SC..Hα-helixtrans-52.3-37.4-179.8-68.60000113.3N407S403-N407 VanDerWaalsContact O-CB 3.31Å; S403-N407 WeakPolarHBondContact O-CB 3.34Å; S403-N407 VanDerWaalsContact O-CG 3.28Å; S403-N407 PolarHBondContact O-N 3.26Å; S403-N407 VanDerWaalsContact O-N 3.08Å; S403-N407 PolarHBondContact O-ND2 2.81Å
404F79.9Confident82.4Confident109 Ų10947 Ų4748%0.47824%0.241SC..Hα-helixtrans-64-52.1175.2176.4-103.5000112.3L22 S402 R406 N407 L408L22-F404 HydrophobicContact CD1-CE2 4.21Å; L22-F404 HydrophobicContact CD2-CD2 3.89Å; L22-F404 HydrophobicContact CD2-CE2 3.84Å; L22-F404 HydrophobicContact CG-CE2 4.36Å; S402-F404 PolarHBondContact O-N 2.91Å; S402-F404 VanDerWaalsContact O-N 3.1Å; F404-R406 PolarHBondContact O-N 2.88Å; F404-N407 PolarHBondContact O-N 3.46Å; F404-L408 WeakPolarHBondContact O-CB 3.34Å; F404-L408 PolarHBondContact O-N 3.1Å
405Q81.5Confident82.5Confident94 Ų9448.1 Ų48.144%0.43925%0.245SC..Hα-helixtrans-62.5-41.7-179.7-74.1167.1-29.100112.3M401 S402 L408 F409M401-Q405 HydrophobicContact CB-CB 3.9Å; M401-Q405 HydrophobicContact CG-CB 4.36Å; M401-Q405 HydrophobicContact SD-CB 4.23Å; S402-Q405 PolarHBondContact O-N 3.03Å; S402-Q405 WeakPolarHBondContact OG-CB 3.48Å; S402-Q405 VanDerWaalsContact OG-CG 3.28Å; S402-Q405 WeakPolarHBondContact OG-CG 3.31Å; S402-Q405 PolarHBondContact OG-N 3.04Å; S402-Q405 PolarHBondContact OG-OE1 3.01Å; Q405-L408 PolarHBondContact O-N 2.84Å; Q405-F409 WeakPolarHBondContact O-CB 3.47Å; Q405-F409 PolarHBondContact O-N 2.93Å
406R83.4Confident82.8Confident32 Ų3246.8 Ų46.812%0.12124%0.238CC..Hα-helixtrans-62.9-44.3177.2-178.7176.160.4171.8-3.4111.8H16 V398 M401 S402 F404 F409 I410H16-R406 PolarHBondContact CD2-NH2 2.78Å; H16-R406 PolarHBondContact NE2-NH2 2.87Å; H16-R406 VanDerWaalsContact NE2-NH2 3.11Å; V398-R406 HydrophobicContact CG1-CG 4.07Å; M401-R406 HydrophobicContact CB-CB 4.47Å; S402-R406 PolarHBondContact O-N 3.08Å; F404-R406 PolarHBondContact O-N 2.88Å; R406-F409 WeakPolarHBondContact O-CB 3.43Å; R406-F409 PolarHBondContact O-N 2.82Å; R406-I410 HydrophobicContact CG-CD1 4.27Å; R406-I410 WeakPolarHBondContact O-CG1 3.34Å; R406-I410 PolarHBondContact O-N 2.96Å
407N81.8Confident83.1Confident13 Ų1344.3 Ų44.37%0.0722%0.224CC..Hα-helixtrans-66.6-40.3176.8-79.5-24.4000112L14 I18 S403 F404 F409 I410 L411L14-N407 HydrophobicContact CD2-CB 4.48Å; I18-N407 HydrophobicContact CD1-CB 3.76Å; I18-N407 HydrophobicContact CG1-CB 4.01Å; I18-N407 WeakPolarHBondContact CG1-ND2 3.4Å; S403-N407 VanDerWaalsContact O-CB 3.31Å; S403-N407 WeakPolarHBondContact O-CB 3.34Å; S403-N407 VanDerWaalsContact O-CG 3.28Å; S403-N407 PolarHBondContact O-N 3.26Å; S403-N407 VanDerWaalsContact O-N 3.08Å; S403-N407 PolarHBondContact O-ND2 2.81Å; F404-N407 PolarHBondContact O-N 3.46Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.42Å; N407-I410 PolarHBondContact O-N 3Å; N407-L411 WeakPolarHBondContact O-CG 3.49Å; N407-L411 PolarHBondContact O-N 3.13Å
408L83Confident83.4Confident64 Ų6445.6 Ų45.634%0.33523%0.231SC..Hα-helixtrans-60.2-41.9173.4-178.363.6000111.5F404 Q405 L411 A412F404-L408 WeakPolarHBondContact O-CB 3.34Å; F404-L408 PolarHBondContact O-N 3.1Å; Q405-L408 PolarHBondContact O-N 2.84Å; L408-L411 PolarHBondContact O-N 2.81Å; L408-A412 VanDerWaalsContact O-CB 3.23Å; L408-A412 WeakPolarHBondContact O-CB 3.21Å; L408-A412 PolarHBondContact O-N 3.32Å
409F85.9Confident83.5Confident9 Ų946 Ų464%0.03923%0.233CC..Hα-helixtrans-60.6-46.6174.7180-91000111.9V398 Q405 R406 N407 L411 A412 Y413 V433 F434 V437V398-F409 HydrophobicContact CG1-CD1 3.81Å; V398-F409 HydrophobicContact CG1-CE1 4.25Å; V398-F409 HydrophobicContact CG1-CG 4.3Å; V398-F409 HydrophobicContact CG2-CD1 3.98Å; V398-F409 HydrophobicContact CG2-CD2 4.25Å; V398-F409 HydrophobicContact CG2-CE1 3.88Å; V398-F409 HydrophobicContact CG2-CE2 4.15Å; V398-F409 HydrophobicContact CG2-CG 4.17Å; V398-F409 HydrophobicContact CG2-CZ 3.96Å; Q405-F409 WeakPolarHBondContact O-CB 3.47Å; Q405-F409 PolarHBondContact O-N 2.93Å; R406-F409 WeakPolarHBondContact O-CB 3.43Å; R406-F409 PolarHBondContact O-N 2.82Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.42Å; F409-L411 PolarHBondContact O-N 3.15Å; F409-A412 PolarHBondContact O-N 2.82Å; F409-Y413 VanDerWaalsContact O-CB 3.27Å; F409-Y413 WeakPolarHBondContact O-CB 3.29Å; F409-Y413 PolarHBondContact O-N 3.22Å; F409-V433 HydrophobicContact CD2-CG1 4.07Å; F409-F434 HydrophobicContact CD2-CE1 4.41Å; F409-F434 HydrophobicContact CE2-CD1 4.15Å; F409-F434 AromaticContact CE2-CE1 3.69Å; F409-F434 HydrophobicContact CE2-CE1 3.69Å; F409-F434 HydrophobicContact CZ-CE1 4.09Å; F409-V437 HydrophobicContact CE2-CG2 4.11Å
410I84.6Confident83.5Confident11 Ų1144.1 Ų44.16%0.05622%0.223CC..Hα-helixtrans-61.8-44.6178.4-69.1165.6000111.3M12 L14 R406 N407 Y413 N414M12-I410 HydrophobicContact CB-CG2 3.87Å; M12-I410 HydrophobicContact SD-CG1 4.39Å; L14-I410 HydrophobicContact CD2-CB 4.31Å; L14-I410 HydrophobicContact CD2-CG2 3.88Å; L14-I410 HydrophobicContact CG-CG2 4.28Å; R406-I410 HydrophobicContact CG-CD1 4.27Å; R406-I410 WeakPolarHBondContact O-CG1 3.34Å; R406-I410 PolarHBondContact O-N 2.96Å; N407-I410 PolarHBondContact O-N 3Å; I410-Y413 PolarHBondContact O-N 3.15Å; I410-N414 WeakPolarHBondContact O-CB 3.48Å; I410-N414 PolarHBondContact O-N 3.2Å; I410-N414 PolarHBondContact O-ND2 2.87Å
411L83.9Confident83.4Confident17 Ų1739.8 Ų39.89%0.08921%0.21CC..Hα-helixtrans-63.2-45.9177.1-71.5172.8000111.4I18 L23 I26 N407 L408 F409 Y413 N414 Y415I18-L411 HydrophobicContact CD1-CD1 3.98Å; L23-L411 HydrophobicContact CD1-CD1 3.94Å; L23-L411 HydrophobicContact CD1-CD2 4.18Å; I26-L411 HydrophobicContact CD1-CD1 4.22Å; I26-L411 HydrophobicContact CG2-CD1 3.86Å; N407-L411 WeakPolarHBondContact O-CG 3.49Å; N407-L411 PolarHBondContact O-N 3.13Å; L408-L411 PolarHBondContact O-N 2.81Å; F409-L411 PolarHBondContact O-N 3.15Å; L411-Y413 VanDerWaalsContact C-N 3.34Å; L411-Y413 PolarHBondContact O-N 3.14Å; L411-N414 PolarHBondContact O-N 3.27Å; L411-Y415 VanDerWaalsContact O-CB 3.32Å; L411-Y415 WeakPolarHBondContact O-CB 3.27Å; L411-Y415 PolarHBondContact O-N 2.9Å
412A86.1Confident83.1Confident9 Ų940 Ų407%0.07421%0.209CC..Hα-helixtrans-62.7-39.4177.100000112.4L408 F409 K416 V433 F434L408-A412 VanDerWaalsContact O-CB 3.23Å; L408-A412 WeakPolarHBondContact O-CB 3.21Å; L408-A412 PolarHBondContact O-N 3.32Å; F409-A412 PolarHBondContact O-N 2.82Å; A412-K416 WeakPolarHBondContact O-CB 3.33Å; A412-K416 PolarHBondContact O-N 2.94Å; A412-V433 HydrophobicContact CB-CB 4.21Å; A412-V433 HydrophobicContact CB-CG1 3.84Å; A412-V433 HydrophobicContact CB-CG2 3.93Å; A412-F434 HydrophobicContact CB-CE2 4.38Å
413Y87.8Confident82.5Confident10 Ų1037.6 Ų37.64%0.03919%0.194CC..Hα-helixtrans-62-52.7174.9-179.7-84.8000111.5M12 F409 I410 L411 Y415 K416 M417 F462 I465M12-Y413 HydrophobicContact CB-CD1 4.35Å; M12-Y413 HydrophobicContact CG-CD1 4.02Å; M12-Y413 HydrophobicContact CG-CE1 4.05Å; M12-Y413 HydrophobicContact SD-CD1 3.96Å; M12-Y413 HydrophobicContact SD-CD2 4.47Å; M12-Y413 HydrophobicContact SD-CE1 4.28Å; M12-Y413 HydrophobicContact SD-CG 4.07Å; F409-Y413 VanDerWaalsContact O-CB 3.27Å; F409-Y413 WeakPolarHBondContact O-CB 3.29Å; F409-Y413 PolarHBondContact O-N 3.22Å; I410-Y413 PolarHBondContact O-N 3.15Å; L411-Y413 VanDerWaalsContact C-N 3.34Å; L411-Y413 PolarHBondContact O-N 3.14Å; Y413-Y415 PolarHBondContact O-N 2.95Å; Y413-K416 PolarHBondContact O-N 3.06Å; Y413-M417 WeakPolarHBondContact O-CB 3.48Å; Y413-M417 PolarHBondContact O-N 2.71Å; Y413-F462 HydrophobicContact CD2-CD2 4.39Å; Y413-F462 HydrophobicContact CE2-CB 4.45Å; Y413-F462 AromaticContact CE2-CD2 3.56Å; Y413-F462 HydrophobicContact CE2-CD2 3.56Å; Y413-F462 HydrophobicContact CE2-CE2 4.19Å; Y413-F462 HydrophobicContact CE2-CG 4.27Å; Y413-F462 WeakPolarHBondContact OH-CA 3.05Å; Y413-I465 HydrophobicContact CD2-CB 4.13Å; Y413-I465 HydrophobicContact CD2-CD1 4.34Å; Y413-I465 HydrophobicContact CD2-CG2 3.45Å; Y413-I465 VanDerWaalsContact CD2-CG2 3.45Å; Y413-I465 HydrophobicContact CE1-CD1 3.95Å; Y413-I465 HydrophobicContact CE2-CB 3.81Å; Y413-I465 HydrophobicContact CE2-CD1 3.68Å; Y413-I465 HydrophobicContact CE2-CG1 4.37Å; Y413-I465 HydrophobicContact CE2-CG2 3.67Å; Y413-I465 HydrophobicContact CG-CG2 4.13Å; Y413-I465 VanDerWaalsContact CZ-CD1 3.45Å
414N86.8Confident82.3Confident33 Ų3337.1 Ų37.118%0.17618%0.182CC..Hα-helixtrans-62.8-42.5-179.6-73.5-25.6000111.4M12 I410 L411 M417 E418M12-N414 PolarHBondContact N-OD1 3.16Å; M12-N414 PolarHBondContact O-ND2 3.4Å; M12-N414 VanDerWaalsContact O-ND2 3.08Å; I410-N414 WeakPolarHBondContact O-CB 3.48Å; I410-N414 PolarHBondContact O-N 3.2Å; I410-N414 PolarHBondContact O-ND2 2.87Å; L411-N414 PolarHBondContact O-N 3.27Å; N414-M417 PolarHBondContact O-N 3.47Å; N414-E418 PolarHBondContact O-N 2.9Å; N414-E418 VanDerWaalsContact O-N 3.13Å
415Y84.7Confident82Confident26 Ų2635 Ų3510%0.10218%0.176CC..Hα-helixtrans-59.9-48.1174.7171.6-98.5000111.9I30 Y33 T34 L411 Y413 M417 E418 Q419 T426I30-Y415 HydrophobicContact CG2-CD2 3.31Å; I30-Y415 HydrophobicContact CG2-CE2 3.34Å; I30-Y415 HydrophobicContact CG2-CG 4.02Å; Y33-Y415 HydrophobicContact CD1-CE1 4.09Å; Y33-Y415 AromaticContact CD1-CZ 3.96Å; Y33-Y415 WeakPolarHBondContact CD1-OH 3.43Å; Y33-Y415 AromaticContact CE1-CE1 3.74Å; Y33-Y415 HydrophobicContact CE1-CE1 3.74Å; Y33-Y415 AromaticContact CE1-CZ 3.93Å; Y33-Y415 WeakPolarHBondContact CE1-OH 3.41Å; T34-Y415 WeakPolarHBondContact OG1-CE2 3.28Å; T34-Y415 PolarHBondContact OG1-OH 3.47Å; L411-Y415 VanDerWaalsContact O-CB 3.32Å; L411-Y415 WeakPolarHBondContact O-CB 3.27Å; L411-Y415 PolarHBondContact O-N 2.9Å; Y413-Y415 PolarHBondContact O-N 2.95Å; Y415-M417 PolarHBondContact O-N 3.33Å; Y415-E418 WeakPolarHBondContact O-CB 3.28Å; Y415-E418 PolarHBondContact O-N 3.22Å; Y415-Q419 HydrophobicContact CD1-CG 4.31Å; Y415-Q419 HydrophobicContact CD2-CG 4.43Å; Y415-Q419 HydrophobicContact CE1-CG 3.78Å; Y415-Q419 HydrophobicContact CE2-CG 3.96Å; Y415-Q419 WeakPolarHBondContact O-CG 3.36Å; Y415-Q419 PolarHBondContact O-N 3.09Å; Y415-T426 HydrophobicContact CD1-CG2 4.44Å; Y415-T426 HydrophobicContact CE1-CG2 3.83Å
416K86.1Confident81.9Confident2 Ų230.5 Ų30.51%0.00916%0.155CC..Hα-helixtrans-65.8-39.1-179.3-179.9167.2176.5-178.10112.3A412 Y413 E418 Q419 I420 T426 N430 F434 I465 C468A412-K416 WeakPolarHBondContact O-CB 3.33Å; A412-K416 PolarHBondContact O-N 2.94Å; Y413-K416 PolarHBondContact O-N 3.06Å; K416-E418 VanDerWaalsContact C-N 3.29Å; K416-E418 PolarHBondContact O-N 3Å; K416-Q419 PolarHBondContact O-N 3.16Å; K416-I420 HydrophobicContact CD-CD1 4.4Å; K416-I420 HydrophobicContact CG-CD1 3.81Å; K416-I420 HydrophobicContact CG-CG1 4.25Å; K416-I420 WeakPolarHBondContact O-CB 3.3Å; K416-I420 WeakPolarHBondContact O-CG1 3.42Å; K416-I420 PolarHBondContact O-N 3.18Å; K416-T426 WeakPolarHBondContact CD-OG1 3.43Å; K416-T426 HydrophobicContact CG-CG2 4.45Å; K416-T426 WeakPolarHBondContact CG-OG1 3.32Å; K416-N430 WeakPolarHBondContact CE-OD1 3.21Å; K416-N430 PolarHBondContact NZ-OD1 3.38Å; K416-F434 HydrophobicContact CB-CE2 4.33Å; K416-F434 HydrophobicContact CD-CD2 3.93Å; K416-F434 HydrophobicContact CD-CE2 3.61Å; K416-F434 HydrophobicContact CD-CZ 4.32Å; K416-I465 HydrophobicContact CB-CG2 4.14Å; K416-I465 HydrophobicContact CD-CG2 3.91Å; K416-I465 WeakPolarHBondContact CE-O 3.37Å; K416-I465 HydrophobicContact CG-CG2 4.01Å; K416-I465 PolarHBondContact NZ-O 3.18Å; K416-C468 PolarHBondContact NZ-SG 2.9Å
417M85.4Confident81.5Confident12 Ų1232.2 Ų32.26%0.05917%0.17CC..Hα-helixtrans-55.3-46.8173-175.4178.667.100111.1P9 T11 Y413 N414 Y415 I420 S421 I465P9-M417 HydrophobicContact CB-CE 4.18Å; P9-M417 HydrophobicContact CB-SD 4Å; P9-M417 HydrophobicContact CG-CE 3.99Å; P9-M417 HydrophobicContact CG-SD 4.27Å; T11-M417 HydrophobicContact CG2-CE 3.78Å; Y413-M417 WeakPolarHBondContact O-CB 3.48Å; Y413-M417 PolarHBondContact O-N 2.71Å; N414-M417 PolarHBondContact O-N 3.47Å; Y415-M417 PolarHBondContact O-N 3.33Å; M417-I420 PolarHBondContact O-N 2.9Å; M417-S421 WeakPolarHBondContact O-CB 2.95Å; M417-S421 PolarHBondContact O-N 3.46Å; M417-I465 HydrophobicContact CB-CD1 3.63Å; M417-I465 HydrophobicContact CB-CG1 4.5Å; M417-I465 HydrophobicContact CG-CD1 3.88Å
418E84Confident81Confident94 Ų9435.4 Ų35.444%0.43919%0.187SC..Hα-helixtrans-62.9-45.2178.2-168-171.6162.800111.6N414 Y415 K416 S421 K422N414-E418 PolarHBondContact O-N 2.9Å; N414-E418 VanDerWaalsContact O-N 3.13Å; Y415-E418 WeakPolarHBondContact O-CB 3.28Å; Y415-E418 PolarHBondContact O-N 3.22Å; K416-E418 VanDerWaalsContact C-N 3.29Å; K416-E418 PolarHBondContact O-N 3Å; E418-S421 PolarHBondContact O-N 2.76Å; E418-S421 PolarHBondContact O-OG 2.81Å; E418-K422 WeakPolarHBondContact O-CG 3.4Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 IonicContact OE1-NZ 3.91Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å
419Q82.6Confident80.8Confident12 Ų1233.1 Ų33.16%0.05618%0.176CC..Hα-helixtrans-65.3-42.4179.3-63.6-46-5400112.5Y415 K416 S421 K422 G423 R424 T426Y415-Q419 HydrophobicContact CD1-CG 4.31Å; Y415-Q419 HydrophobicContact CD2-CG 4.43Å; Y415-Q419 HydrophobicContact CE1-CG 3.78Å; Y415-Q419 HydrophobicContact CE2-CG 3.96Å; Y415-Q419 WeakPolarHBondContact O-CG 3.36Å; Y415-Q419 PolarHBondContact O-N 3.09Å; K416-Q419 PolarHBondContact O-N 3.16Å; Q419-S421 VanDerWaalsContact C-N 3.31Å; Q419-S421 PolarHBondContact O-N 3.02Å; Q419-K422 CarbonylContact O-C 3.54Å; Q419-K422 PolarHBondContact O-N 3.35Å; Q419-K422 VanDerWaalsContact O-N 3.08Å; Q419-G423 PolarHBondContact O-N 2.89Å; Q419-R424 HydrophobicContact CB-CB 4.15Å; Q419-R424 WeakPolarHBondContact O-CB 3.37Å; Q419-R424 PolarHBondContact O-N 2.55Å; Q419-T426 HydrophobicContact CB-CG2 3.65Å; Q419-T426 HydrophobicContact CG-CG2 3.79Å
420I80.8Confident80.6Confident27 Ų2733.4 Ų33.414%0.13818%0.178CC..Hα-helixtrans-62.7-39.9176.8-71.5174.5000110.8K416 M417 K422 G423 I465 Y492K416-I420 HydrophobicContact CD-CD1 4.4Å; K416-I420 HydrophobicContact CG-CD1 3.81Å; K416-I420 HydrophobicContact CG-CG1 4.25Å; K416-I420 WeakPolarHBondContact O-CB 3.3Å; K416-I420 WeakPolarHBondContact O-CG1 3.42Å; K416-I420 PolarHBondContact O-N 3.18Å; M417-I420 PolarHBondContact O-N 2.9Å; I420-K422 PolarHBondContact O-N 3.36Å; I420-K422 VanDerWaalsContact O-N 3.15Å; I420-G423 WeakPolarHBondContact O-CA 3.33Å; I420-G423 PolarHBondContact O-N 2.66Å; I420-I465 HydrophobicContact CD1-CG1 4.19Å; I420-Y492 HydrophobicContact CG2-CD1 3.53Å; I420-Y492 HydrophobicContact CG2-CD2 4.33Å; I420-Y492 HydrophobicContact CG2-CE1 4.09Å; I420-Y492 HydrophobicContact CG2-CG 3.66Å
421S77.1Confident80.3Confident70 Ų7035.6 Ų35.649%0.4919%0.194SC..Hα-helixtrans-62.3-22.2176.975.30000113.3M417 E418 Q419M417-S421 WeakPolarHBondContact O-CB 2.95Å; M417-S421 PolarHBondContact O-N 3.46Å; E418-S421 PolarHBondContact O-N 2.76Å; E418-S421 PolarHBondContact O-OG 2.81Å; Q419-S421 VanDerWaalsContact C-N 3.31Å; Q419-S421 PolarHBondContact O-N 3.02Å
422K75.6Confident80Confident69 Ų6942.6 Ų42.630%0.322%0.224SC..THydrogen-bonded Turntrans-94.811.5173.3-60.9175.5-172.7172.60112.8Q49 E418 Q419 I420 R424Q49-K422 PolarHBondContact OE1-O 3.18Å; E418-K422 WeakPolarHBondContact O-CG 3.4Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 IonicContact OE1-NZ 3.91Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å; Q419-K422 CarbonylContact O-C 3.54Å; Q419-K422 PolarHBondContact O-N 3.35Å; Q419-K422 VanDerWaalsContact O-N 3.08Å; I420-K422 PolarHBondContact O-N 3.36Å; I420-K422 VanDerWaalsContact O-N 3.15Å; K422-R424 VanDerWaalsContact C-N 3.3Å; K422-R424 HydrophobicContact CB-CG 4.27Å; K422-R424 PolarHBondContact O-N 3.36Å
423G71.5Confident79.9Confident10 Ų1043.9 Ų43.910%0.10323%0.231CC..THydrogen-bonded Turntrans70.816.3-177.900000115.3R48 Q419 I420R48-G423 WeakPolarHBondContact CB-O 3.48Å; Q419-G423 PolarHBondContact O-N 2.89Å; I420-G423 WeakPolarHBondContact O-CA 3.33Å; I420-G423 PolarHBondContact O-N 2.66Å
424R75.6Confident79.8Confident56 Ų5643.4 Ų43.421%0.21123%0.229CC..  trans-98149.3-174.5-60.4166.2-176.1-170-5.6111.9Y38 F41 Q419 K422Y38-R424 VanDerWaalsContact CE2-NH2 3.34Å; Y38-R424 PolarHBondContact OH-NH2 3.2Å; F41-R424 HydrophobicContact CE1-CB 4.37Å; F41-R424 HydrophobicContact CE1-CG 4.28Å; Q419-R424 HydrophobicContact CB-CB 4.15Å; Q419-R424 WeakPolarHBondContact O-CB 3.37Å; Q419-R424 PolarHBondContact O-N 2.55Å; K422-R424 VanDerWaalsContact C-N 3.3Å; K422-R424 HydrophobicContact CB-CG 4.27Å; K422-R424 PolarHBondContact O-N 3.36Å
425N72.8Confident79.7Confident65 Ų6550 Ų5035%0.34825%0.251SS..  trans-93.2158.8172.3-162.33.7000111.3F41 N430F41-N425 HydrophobicContact CE2-CB 4.31Å; N425-N430 PolarHBondContact OD1-ND2 3.49Å
426T79.8Confident79.7Confident0 Ų056.4 Ų56.40%028%0.28CS..  trans-131.264.9-177.249.90000112.1Y33 Y415 K416 Q419 L428 C429 N430Y33-T426 VanDerWaalsContact OH-C 3.32Å; Y415-T426 HydrophobicContact CD1-CG2 4.44Å; Y415-T426 HydrophobicContact CE1-CG2 3.83Å; K416-T426 WeakPolarHBondContact CD-OG1 3.43Å; K416-T426 HydrophobicContact CG-CG2 4.45Å; K416-T426 WeakPolarHBondContact CG-OG1 3.32Å; Q419-T426 HydrophobicContact CB-CG2 3.65Å; Q419-T426 HydrophobicContact CG-CG2 3.79Å; T426-L428 PolarHBondContact O-N 3.15Å; T426-C429 WeakPolarHBondContact O-CB 3.46Å; T426-C429 PolarHBondContact O-N 2.83Å; T426-N430 PolarHBondContact O-N 3.47Å; T426-N430 PolarHBondContact O-ND2 3.45Å; T426-N430 PolarHBondContact O-OD1 2.9Å; T426-N430 PolarHBondContact OG1-OD1 3.44Å
427P75.3Confident79.6Confident67 Ų6756.8 Ų56.844%0.43528%0.282SS..Hα-helixtrans-60-40.5-167.522.9-33.8000115T37 N430 S431T37-P427 HydrophobicContact CG2-CG 4.46Å; P427-N430 WeakPolarHBondContact O-CB 3.28Å; P427-N430 PolarHBondContact O-N 3.4Å; P427-S431 PolarHBondContact O-N 3.49Å; P427-S431 VanDerWaalsContact O-N 3.07Å
428L72.8Confident79.7Confident81 Ų8159.7 Ų59.742%0.42429%0.293SS..Hα-helixtrans-74-37.4178.4-54.6178000111.4Y33 T37 T426 N430 S431 F432Y33-L428 HydrophobicContact CD2-CB 4.09Å; Y33-L428 HydrophobicContact CD2-CD1 3.47Å; Y33-L428 VanDerWaalsContact CD2-CD1 3.47Å; Y33-L428 HydrophobicContact CD2-CG 4.15Å; Y33-L428 HydrophobicContact CE2-CB 3.3Å; Y33-L428 HydrophobicContact CE2-CD1 3.25Å; Y33-L428 HydrophobicContact CE2-CG 3.41Å; Y33-L428 VanDerWaalsContact CE2-CG 3.41Å; Y33-L428 PolarHBondContact OH-N 3.03Å; T37-L428 HydrophobicContact CG2-CD1 4.28Å; T37-L428 HydrophobicContact CG2-CG 4.41Å; T426-L428 PolarHBondContact O-N 3.15Å; L428-N430 VanDerWaalsContact C-N 3.26Å; L428-N430 PolarHBondContact O-N 2.92Å; L428-S431 PolarHBondContact O-N 3.19Å; L428-S431 VanDerWaalsContact O-N 3.08Å; L428-F432 HydrophobicContact CB-CD2 4Å; L428-F432 HydrophobicContact CB-CE2 4.07Å; L428-F432 HydrophobicContact CD2-CE2 4.25Å; L428-F432 WeakPolarHBondContact O-CD2 3.5Å; L428-F432 PolarHBondContact O-N 3.4Å
429C78.3Confident79.8Confident15 Ų1558.2 Ų58.210%0.10129%0.293CS..Hα-helixtrans-59.6-40.8173-165.80000111.1T426 S431 V433 F434T426-C429 WeakPolarHBondContact O-CB 3.46Å; T426-C429 PolarHBondContact O-N 2.83Å; C429-S431 VanDerWaalsContact C-N 3.31Å; C429-S431 PolarHBondContact O-N 2.98Å; C429-V433 PolarHBondContact O-N 2.99Å; C429-F434 PolarHBondContact O-N 3.01Å; C429-F434 VanDerWaalsContact SG-CE2 3.58Å
430N80.8Confident79.9Confident16 Ų1659.7 Ų59.79%0.08630%0.301CS..Iπ-helixtrans-60-40.2174.1-62.3-16.8000111.9K416 N425 T426 P427 L428 F434 R435 C468K416-N430 WeakPolarHBondContact CE-OD1 3.21Å; K416-N430 PolarHBondContact NZ-OD1 3.38Å; N425-N430 PolarHBondContact OD1-ND2 3.49Å; T426-N430 PolarHBondContact O-N 3.47Å; T426-N430 PolarHBondContact O-ND2 3.45Å; T426-N430 PolarHBondContact O-OD1 2.9Å; T426-N430 PolarHBondContact OG1-OD1 3.44Å; P427-N430 WeakPolarHBondContact O-CB 3.28Å; P427-N430 PolarHBondContact O-N 3.4Å; L428-N430 VanDerWaalsContact C-N 3.26Å; L428-N430 PolarHBondContact O-N 2.92Å; N430-F434 CarbonylContact O-C 3.52Å; N430-R435 PolarHBondContact O-N 3.21Å; N430-C468 HydrophobicContact CB-CB 4.43Å; N430-C468 PolarHBondContact OD1-SG 2.86Å; N430-C468 VanDerWaalsContact OD1-SG 3.35Å
431S78.2Confident80.2Confident56 Ų5658.7 Ų58.739%0.39230%0.296SS..Iπ-helixtrans-79.3-40.3-176.4-165.40000113.7P427 L428 C429 R435P427-S431 PolarHBondContact O-N 3.49Å; P427-S431 VanDerWaalsContact O-N 3.07Å; L428-S431 PolarHBondContact O-N 3.19Å; L428-S431 VanDerWaalsContact O-N 3.08Å; C429-S431 VanDerWaalsContact C-N 3.31Å; C429-S431 PolarHBondContact O-N 2.98Å; S431-R435 WeakPolarHBondContact O-CB 3.39Å
432F79.1Confident80.7Confident165 Ų16555.8 Ų55.872%0.72428%0.277SS*.Iπ-helixtrans-88.9-40.6-174.4-70.7-66.2000113.9L428L428-F432 HydrophobicContact CB-CD2 4Å; L428-F432 HydrophobicContact CB-CE2 4.07Å; L428-F432 HydrophobicContact CD2-CE2 4.25Å; L428-F432 WeakPolarHBondContact O-CD2 3.5Å; L428-F432 PolarHBondContact O-N 3.4Å
433V82.3Confident81.4Confident36 Ų3653.4 Ų53.422%0.21827%0.272CS..Iπ-helixtrans-100.4-53.7-173.6-176.60000110.9F409 A412 C429F409-V433 HydrophobicContact CD2-CG1 4.07Å; A412-V433 HydrophobicContact CB-CB 4.21Å; A412-V433 HydrophobicContact CB-CG1 3.84Å; A412-V433 HydrophobicContact CB-CG2 3.93Å; C429-V433 PolarHBondContact O-N 2.99Å
434F86Confident82.5Confident0 Ų057.1 Ų57.10%029%0.289CS..Iπ-helixtrans-86.5-11.5-169.8-66.9-71.9000114.6F409 A412 K416 C429 N430 K436 V437 R438 I465 C466 C468F409-F434 HydrophobicContact CD2-CE1 4.41Å; F409-F434 HydrophobicContact CE2-CD1 4.15Å; F409-F434 AromaticContact CE2-CE1 3.69Å; F409-F434 HydrophobicContact CE2-CE1 3.69Å; F409-F434 HydrophobicContact CZ-CE1 4.09Å; A412-F434 HydrophobicContact CB-CE2 4.38Å; K416-F434 HydrophobicContact CB-CE2 4.33Å; K416-F434 HydrophobicContact CD-CD2 3.93Å; K416-F434 HydrophobicContact CD-CE2 3.61Å; K416-F434 HydrophobicContact CD-CZ 4.32Å; C429-F434 PolarHBondContact O-N 3.01Å; C429-F434 VanDerWaalsContact SG-CE2 3.58Å; N430-F434 CarbonylContact O-C 3.52Å; F434-K436 VanDerWaalsContact C-N 3.26Å; F434-K436 PolarHBondContact O-N 3.4Å; F434-V437 WeakPolarHBondContact O-CA 3.5Å; F434-V437 WeakPolarHBondContact O-CB 3.03Å; F434-V437 PolarHBondContact O-N 3.3Å; F434-R438 WeakPolarHBondContact O-CG 3.09Å; F434-R438 PolarHBondContact O-N 3.47Å; F434-I465 HydrophobicContact CE1-CG2 4.28Å; F434-I465 HydrophobicContact CZ-CG2 3.93Å; F434-C466 HydrophobicContact CD1-CB 4.39Å; F434-C466 HydrophobicContact CE1-CB 4.49Å; F434-C468 WeakPolarHBondContact CB-SG 3.14Å
435R86Confident83.3Confident170 Ų17054.8 Ų54.864%0.64228%0.281SS*.Hα-helixtrans-54.4-40.7178.7-178.4177.1-179.4175.60.7113N430 S431 R438 S439N430-R435 PolarHBondContact O-N 3.21Å; S431-R435 WeakPolarHBondContact O-CB 3.39Å; R435-R438 PolarHBondContact O-N 3.08Å; R435-S439 PolarHBondContact O-N 3.24Å
436K83.3Confident84.3Confident162 Ų16255.5 Ų55.570%0.70428%0.279SS*.Hα-helixtrans-64.5-39.8175.8-70.7-175.9178.4-179.70111.8F434 S439F434-K436 VanDerWaalsContact C-N 3.26Å; F434-K436 PolarHBondContact O-N 3.4Å; K436-S439 PolarHBondContact O-N 2.66Å; K436-S439 PolarHBondContact O-OG 3.43Å
437V83.6Confident85Confident10 Ų1056.6 Ų56.66%0.06128%0.284CS..Hα-helixtrans-68.7-45.2178-176.90000110.9V394 F409 F434 S439 L440 C466 F467V394-V437 HydrophobicContact CG1-CG1 3.86Å; V394-V437 HydrophobicContact CG1-CG2 4.26Å; V394-V437 HydrophobicContact CG2-CG1 4Å; F409-V437 HydrophobicContact CE2-CG2 4.11Å; F434-V437 WeakPolarHBondContact O-CA 3.5Å; F434-V437 WeakPolarHBondContact O-CB 3.03Å; F434-V437 PolarHBondContact O-N 3.3Å; V437-S439 PolarHBondContact O-N 3.32Å; V437-L440 HydrophobicContact CG1-CD1 4.45Å; V437-L440 VanDerWaalsContact O-CB 3.26Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 VanDerWaalsContact O-CG 3.29Å; V437-L440 WeakPolarHBondContact O-CG 3Å; V437-L440 PolarHBondContact O-N 3.15Å; V437-L440 VanDerWaalsContact O-N 3.07Å; V437-C466 HydrophobicContact CG1-CB 3.89Å; V437-F467 HydrophobicContact CG1-CE1 4.32Å; V437-F467 HydrophobicContact CG1-CZ 4.22Å; V437-F467 WeakPolarHBondContact O-CE1 3.38Å
438R87.9Confident85.9Confident72 Ų7253.4 Ų53.427%0.27226%0.264SS..Hα-helixtrans-56.4-36.9174.8-68.4178.372.1-159.9-2.8112.8F434 R435 L440 L441 G443 F467 C468F434-R438 WeakPolarHBondContact O-CG 3.09Å; F434-R438 PolarHBondContact O-N 3.47Å; R435-R438 PolarHBondContact O-N 3.08Å; R438-L440 PolarHBondContact O-N 3.47Å; R438-L440 VanDerWaalsContact O-N 3.15Å; R438-L441 PolarHBondContact O-N 3.07Å; R438-L441 VanDerWaalsContact O-N 3.08Å; R438-G443 PolarHBondContact NH2-O 3.26Å; R438-G443 WeakPolarHBondContact O-CA 3.43Å; R438-G443 PolarHBondContact O-N 2.96Å; R438-F467 WeakPolarHBondContact CG-O 3.3Å; R438-F467 PolarHBondContact NE-O 3.16Å; R438-C468 VanDerWaalsContact CD-SG 3.58Å
439S87Confident86.9Confident63 Ų6351.4 Ų51.444%0.44125%0.253SS..G310 helixtrans-61.8-20.4179.875.60000113.8R435 K436 V437 L441 G442R435-S439 PolarHBondContact O-N 3.24Å; K436-S439 PolarHBondContact O-N 2.66Å; K436-S439 PolarHBondContact O-OG 3.43Å; V437-S439 PolarHBondContact O-N 3.32Å; S439-L441 PolarHBondContact O-N 2.86Å; S439-G442 PolarHBondContact O-N 3.28Å
440L83.8Confident87.5Confident43 Ų4350.7 Ų50.723%0.22525%0.249CC..G310 helixtrans-63.4-27.4174.8-59.7175.1000112.8T372 V394 K397 V437 R438T372-L440 PolarHBondContact OG1-O 3.21Å; T372-L440 VanDerWaalsContact OG1-O 3.12Å; V394-L440 HydrophobicContact CG2-CD1 3.62Å; K397-L440 VanDerWaalsContact NZ-CD2 3.31Å; V437-L440 HydrophobicContact CG1-CD1 4.45Å; V437-L440 VanDerWaalsContact O-CB 3.26Å; V437-L440 WeakPolarHBondContact O-CB 3.47Å; V437-L440 VanDerWaalsContact O-CG 3.29Å; V437-L440 WeakPolarHBondContact O-CG 3Å; V437-L440 PolarHBondContact O-N 3.15Å; V437-L440 VanDerWaalsContact O-N 3.07Å; R438-L440 PolarHBondContact O-N 3.47Å; R438-L440 VanDerWaalsContact O-N 3.15Å
441L87.4Confident87.9Confident6 Ų650.1 Ų50.13%0.03125%0.247CC..G310 helixtrans-11032173.7-60-179.1000111.1T372 M380 I390 R438 S439 G443 I445 L448 F467T372-L441 HydrophobicContact CG2-CD2 4.31Å; M380-L441 HydrophobicContact SD-CD1 4.38Å; M380-L441 HydrophobicContact SD-CD2 4.28Å; I390-L441 HydrophobicContact CD1-CD1 4.33Å; I390-L441 HydrophobicContact CD1-CD2 3.99Å; R438-L441 PolarHBondContact O-N 3.07Å; R438-L441 VanDerWaalsContact O-N 3.08Å; S439-L441 PolarHBondContact O-N 2.86Å; L441-G443 VanDerWaalsContact C-N 3.26Å; L441-G443 PolarHBondContact O-N 3.47Å; L441-I445 HydrophobicContact CB-CG1 3.93Å; L441-I445 WeakPolarHBondContact O-CG1 3.42Å; L441-L448 HydrophobicContact CD1-CD1 4.25Å; L441-F467 HydrophobicContact CB-CD1 4.42Å; L441-F467 HydrophobicContact CB-CE1 4.12Å; L441-F467 HydrophobicContact CD1-CD1 3.65Å; L441-F467 HydrophobicContact CD1-CE1 3.4Å; L441-F467 VanDerWaalsContact CD1-CE1 3.4Å; L441-F467 HydrophobicContact CD1-CE2 4.3Å; L441-F467 HydrophobicContact CD1-CG 4.22Å; L441-F467 HydrophobicContact CD1-CZ 3.76Å; L441-F467 HydrophobicContact CG-CD1 4.11Å; L441-F467 HydrophobicContact CG-CE1 3.51Å; L441-F467 HydrophobicContact CG-CZ 4.03Å
442G88.7Confident88Confident10 Ų1048.8 Ų48.810%0.10324%0.242CC..THydrogen-bonded Turntrans81.6-7.7176.400000115.6T372 K376 S439 N444T372-G442 WeakPolarHBondContact O-CA 3.31Å; K376-G442 WeakPolarHBondContact CG-O 3.43Å; S439-G442 PolarHBondContact O-N 3.28Å; G442-N444 VanDerWaalsContact C-N 3.29Å; G442-N444 PolarHBondContact O-N 2.96Å
443G90.1Very high88.1Confident18 Ų1842.8 Ų42.819%0.18622%0.223CC..SBendtrans85-15.2172.100000116.1R438 L441R438-G443 PolarHBondContact NH2-O 3.26Å; R438-G443 WeakPolarHBondContact O-CA 3.43Å; R438-G443 PolarHBondContact O-N 2.96Å; L441-G443 VanDerWaalsContact C-N 3.26Å; L441-G443 PolarHBondContact O-N 3.47Å
444N94.2Very high88Confident88 Ų8845 Ų4547%0.47124%0.237SC..  trans-105-2.7-173.8-73.1-1.8000114.5K376 P377 T378 G442 R446K376-N444 HydrophobicContact CB-CB 4.38Å; P377-N444 CarbonylContact O-C 3.5Å; T378-N444 HydrophobicContact CG2-CB 4.46Å; G442-N444 VanDerWaalsContact C-N 3.29Å; G442-N444 PolarHBondContact O-N 2.96Å; N444-R446 PolarHBondContact O-N 3.46Å; N444-R446 VanDerWaalsContact O-N 3.16Å
445I93.1Very high87.9Confident8 Ų845.4 Ų45.44%0.04124%0.24CC..  trans-54.4124.5178.2-67.6-70.8000109.6P377 T378 M380 L441 L448 C469P377-I445 HydrophobicContact CB-CD1 3.87Å; P377-I445 HydrophobicContact CG-CD1 3.75Å; P377-I445 HydrophobicContact CG-CG1 4.38Å; P377-I445 WeakPolarHBondContact O-CA 3.41Å; P377-I445 WeakPolarHBondContact O-CD1 3.42Å; P377-I445 PolarHBondContact O-N 3.4Å; T378-I445 WeakPolarHBondContact O-CA 3.36Å; M380-I445 HydrophobicContact CB-CD1 3.79Å; L441-I445 HydrophobicContact CB-CG1 3.93Å; L441-I445 WeakPolarHBondContact O-CG1 3.42Å; I445-L448 HydrophobicContact CG2-CB 4.24Å; I445-C469 HydrophobicContact CG2-CB 4.36Å
446R93.6Very high87.6Confident79 Ų7938.1 Ų38.130%0.29822%0.215SC..  trans-111.5-23.5176.275.8178.5-175.292.1-6.4112.5P316 D322 T378 L379 N444 C469 P470P316-R446 PolarHBondContact O-NH1 3.46Å; P316-R446 PolarHBondContact O-NH2 3.48Å; P316-R446 VanDerWaalsContact O-NH2 3.16Å; D322-R446 VanDerWaalsContact CG-NH2 3.32Å; D322-R446 IonicContact OD1-CZ 3.72Å; D322-R446 IonicContact OD1-NE 3.36Å; D322-R446 PolarHBondContact OD1-NE 2.84Å; D322-R446 IonicContact OD1-NH2 2.84Å; D322-R446 PolarHBondContact OD1-NH2 2.88Å; D322-R446 IonicContact OD2-CZ 3.71Å; D322-R446 IonicContact OD2-NE 3.84Å; D322-R446 IonicContact OD2-NH2 2.67Å; D322-R446 PolarHBondContact OD2-NH2 3.06Å; T378-R446 WeakPolarHBondContact O-CG 3.37Å; T378-R446 PolarHBondContact O-N 3.32Å; L379-R446 HydrophobicContact CD2-CG 4.24Å; N444-R446 PolarHBondContact O-N 3.46Å; N444-R446 VanDerWaalsContact O-N 3.16Å; R446-C469 WeakPolarHBondContact O-CB 3.42Å; R446-P470 WeakPolarHBondContact O-CD 3.36Å
447L93.9Very high87.7Confident23 Ų2332.1 Ų32.112%0.1220%0.196CC..EExtended strand (participates in β ladder)trans-147.7137.3176.5-177.966.7000109.9I315 T378 L379 M380 P470 V489I315-L447 HydrophobicContact CB-CD2 4.23Å; I315-L447 HydrophobicContact CD1-CD2 4.47Å; I315-L447 HydrophobicContact CG1-CD2 3.85Å; I315-L447 HydrophobicContact CG2-CD2 3.82Å; T378-L447 PolarHBondContact O-N 3.45Å; L379-L447 HydrophobicContact CD2-CB 3.86Å; L379-L447 HydrophobicContact CD2-CD2 4.45Å; M380-L447 PolarHBondContact N-O 2.83Å; L447-P470 HydrophobicContact CD1-CB 3.96Å; L447-V489 HydrophobicContact CD1-CG2 3.99Å; L447-V489 HydrophobicContact CD2-CG2 4.47Å
448L93.9Very high87.5Confident0 Ų035.4 Ų35.40%022%0.215CC..EExtended strand (participates in β ladder)trans-133.7129.6174.6170.2165.2000109.5M380 M387 L441 I445 P470 V471 G472M380-L448 VanDerWaalsContact O-CA 3.31Å; M380-L448 WeakPolarHBondContact O-CA 3.24Å; M380-L448 HydrophobicContact SD-CD1 4.35Å; M387-L448 HydrophobicContact CE-CD1 4.02Å; M387-L448 HydrophobicContact CE-CD2 2.99Å; M387-L448 HydrophobicContact CE-CG 3.79Å; M387-L448 HydrophobicContact SD-CD1 4.09Å; M387-L448 HydrophobicContact SD-CD2 3.92Å; L441-L448 HydrophobicContact CD1-CD1 4.25Å; I445-L448 HydrophobicContact CG2-CB 4.24Å; L448-P470 PolarHBondContact N-O 3.3Å; L448-P470 VanDerWaalsContact N-O 3.08Å; L448-V471 HydrophobicContact CB-CG2 4.48Å; L448-V471 HydrophobicContact CD2-CB 4.14Å; L448-V471 HydrophobicContact CD2-CG1 3.59Å; L448-V471 HydrophobicContact CD2-CG2 3.94Å; L448-V471 WeakPolarHBondContact O-CA 3.38Å; L448-G472 PolarHBondContact O-N 2.95Å
449L93.8Very high87.3Confident39 Ų3932 Ų3220%0.20420%0.203CC..EExtended strand (participates in β ladder)trans-109.5125.5-178.5-175.480.5000109.3L334 M380 A381 A382 I486L334-L449 HydrophobicContact CD1-CD2 4.19Å; M380-L449 PolarHBondContact O-N 3.34Å; A381-L449 CarbonylContact C-O 3.48Å; A381-L449 WeakPolarHBondContact CA-O 3.39Å; A382-L449 PolarHBondContact N-O 2.86Å; L449-I486 HydrophobicContact CD1-CD1 4.32Å; L449-I486 HydrophobicContact CD1-CG1 4.28Å; L449-I486 HydrophobicContact CD1-CG2 3.61Å; L449-I486 HydrophobicContact CD2-CD1 4.45Å
450C91.4Very high87.3Confident1 Ų129 Ų291%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-103.2129.2172.2-165.70000110.5A382 M387 L455 G472 Q473 G474A382-C450 CarbonylContact O-C 3.54Å; A382-C450 VanDerWaalsContact O-CA 3.31Å; A382-C450 WeakPolarHBondContact O-CA 3.25Å; M387-C450 HydrophobicContact CE-CB 3.57Å; C450-L455 HydrophobicContact CB-CD2 4Å; C450-G472 PolarHBondContact N-O 3.5Å; C450-Q473 CarbonylContact O-C 3.24Å; C450-Q473 WeakPolarHBondContact O-CA 3.44Å; C450-G474 PolarHBondContact O-N 2.92Å
451G88.4Confident87.5Confident4 Ų430.3 Ų30.34%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-149.2175.5178.400000113.6A382 A453A382-G451 PolarHBondContact O-N 3.01Å; G451-A453 VanDerWaalsContact C-N 3.32Å; G451-A453 PolarHBondContact O-N 2.88Å
452G80.8Confident87.5Confident28 Ų2830.1 Ų30.129%0.28918%0.183SC..SBendtrans87.7-23.6173.700000115.8K699G452-K699 WeakPolarHBondContact O-CE 3.21Å; G452-K699 PolarHBondContact O-NZ 3.5Å
453A81.5Confident87.4Confident39 Ų3929.7 Ų29.732%0.32218%0.178SC..SBendtrans-153.2165.3172.600000110.8P384 G451P384-A453 HydrophobicContact CG-CB 3.84Å; P384-A453 WeakPolarHBondContact CG-O 3.3Å; G451-A453 VanDerWaalsContact C-N 3.32Å; G451-A453 PolarHBondContact O-N 2.88Å
454P79.3Confident87.4Confident81 Ų8129 Ų2953%0.52617%0.17SC..  trans-62.2133.9177.7-22.934.3000112.6P384P384-P454 WeakPolarHBondContact CG-O 3.49Å
455L83.5Confident87Confident10 Ų1025 Ų255%0.05215%0.149CC..  trans-109133.8171.4-178.567.9000110.2P384 M387 C450 T459 Q460 Q473P384-L455 HydrophobicContact CB-CD1 4.07Å; P384-L455 HydrophobicContact CG-CB 4.28Å; M387-L455 HydrophobicContact CB-CD1 3.94Å; M387-L455 HydrophobicContact CG-CD1 4.21Å; C450-L455 HydrophobicContact CB-CD2 4Å; L455-T459 HydrophobicContact CD1-CG2 3.85Å; L455-Q460 HydrophobicContact CD2-CB 3.77Å; L455-Q460 HydrophobicContact CD2-CG 4.16Å; L455-Q460 HydrophobicContact CG-CB 4.35Å; L455-Q473 HydrophobicContact CB-CG 4.49Å; L455-Q473 HydrophobicContact CD2-CG 4.45Å
456S81.4Confident86.7Confident16 Ų1624.6 Ų24.611%0.11215%0.147CC..  trans-63.2141177.694.90000111.4T458 T459 Q460 A599S456-T458 PolarHBondContact O-N 3.46Å; S456-T459 PolarHBondContact O-N 3.41Å; S456-T459 WeakPolarHBondContact OG-CB 3.3Å; S456-T459 PolarHBondContact OG-N 2.79Å; S456-T459 PolarHBondContact OG-OG1 3.18Å; S456-Q460 PolarHBondContact O-N 2.83Å; S456-A599 WeakPolarHBondContact CB-O 3.25Å
457A84.3Confident86.3Confident37 Ų3721 Ų2131%0.30613%0.133SC..Hα-helixtrans-58.6-34.6177.200000112.3R461A457-R461 VanDerWaalsContact O-CB 3.27Å; A457-R461 WeakPolarHBondContact O-CB 3.27Å; A457-R461 PolarHBondContact O-N 2.86Å
458T80.5Confident85.8Confident78 Ų7821.3 Ų21.348%0.47914%0.137SC..Hα-helixtrans-66.3-47177.2-56.70000111.6S456 R461 F462S456-T458 PolarHBondContact O-N 3.46Å; T458-R461 PolarHBondContact O-N 3.47Å; T458-F462 WeakPolarHBondContact O-CB 3.47Å; T458-F462 PolarHBondContact O-N 3.35Å
459T82.6Confident85.4Confident0 Ų021.4 Ų21.40%014%0.138CC..Hα-helixtrans-63.1-48.8177.1-54.40000110.2M387 D388 L455 S456 R461 F462 M463 N603M387-T459 HydrophobicContact CB-CG2 4.2Å; D388-T459 PolarHBondContact OD1-OG1 3.07Å; L455-T459 HydrophobicContact CD1-CG2 3.85Å; S456-T459 PolarHBondContact O-N 3.41Å; S456-T459 WeakPolarHBondContact OG-CB 3.3Å; S456-T459 PolarHBondContact OG-N 2.79Å; S456-T459 PolarHBondContact OG-OG1 3.18Å; T459-R461 VanDerWaalsContact C-N 3.29Å; T459-R461 PolarHBondContact O-N 3.37Å; T459-F462 WeakPolarHBondContact O-CB 3.27Å; T459-F462 PolarHBondContact O-N 3.28Å; T459-F462 VanDerWaalsContact O-N 3.14Å; T459-M463 HydrophobicContact CG2-CG 4.21Å; T459-M463 WeakPolarHBondContact O-CG 3.37Å; T459-M463 PolarHBondContact O-N 3.12Å; T459-N603 PolarHBondContact OG1-ND2 3.02Å; T459-N603 PolarHBondContact OG1-OD1 3.4Å
460Q87.3Confident85.2Confident0 Ų020.5 Ų20.50%013%0.134CC..Hα-helixtrans-55.4-46.5179.2-170.5-173.3-1.900111.6L455 S456 M463 N464 V471 T494L455-Q460 HydrophobicContact CD2-CB 3.77Å; L455-Q460 HydrophobicContact CD2-CG 4.16Å; L455-Q460 HydrophobicContact CG-CB 4.35Å; S456-Q460 PolarHBondContact O-N 2.83Å; Q460-M463 PolarHBondContact O-N 2.9Å; Q460-N464 PolarHBondContact O-N 3.43Å; Q460-N464 PolarHBondContact O-ND2 3.41Å; Q460-V471 HydrophobicContact CG-CG1 4.07Å; Q460-V471 PolarHBondContact NE2-O 3.36Å; Q460-T494 HydrophobicContact CB-CG2 4.13Å; Q460-T494 HydrophobicContact CG-CG2 4.15Å
461R87.4Confident85.2Confident72 Ų7220.5 Ų20.527%0.27213%0.134SC..Hα-helixtrans-61.9-46.1177.7-175-178.8-56.9-113.8-4.3112A457 T458 T459 M463 N464 I465 T494A457-R461 VanDerWaalsContact O-CB 3.27Å; A457-R461 WeakPolarHBondContact O-CB 3.27Å; A457-R461 PolarHBondContact O-N 2.86Å; T458-R461 PolarHBondContact O-N 3.47Å; T459-R461 VanDerWaalsContact C-N 3.29Å; T459-R461 PolarHBondContact O-N 3.37Å; R461-M463 VanDerWaalsContact C-N 3.27Å; R461-M463 PolarHBondContact O-N 3.05Å; R461-N464 WeakPolarHBondContact O-CB 3.49Å; R461-N464 PolarHBondContact O-N 2.91Å; R461-I465 HydrophobicContact CG-CD1 3.86Å; R461-I465 WeakPolarHBondContact O-CD1 3.35Å; R461-I465 VanDerWaalsContact O-CG1 3.32Å; R461-I465 WeakPolarHBondContact O-CG1 3.49Å; R461-I465 PolarHBondContact O-N 2.89Å; R461-T494 HydrophobicContact CB-CG2 3.9Å; R461-T494 PolarHBondContact NH2-OG1 2.85Å; R461-T494 VanDerWaalsContact NH2-OG1 3.13Å
462F87.2Confident85.3Confident2 Ų220.7 Ų20.71%0.00914%0.135CC..Hα-helixtrans-57.5-44.2177.1177-88.7000111.4M12 Y391 V394 M395 Y413 T458 T459 I465 C466M12-F462 HydrophobicContact CE-CD2 4.25Å; M12-F462 HydrophobicContact CE-CE2 4.01Å; Y391-F462 HydrophobicContact CD2-CB 3.98Å; Y391-F462 AromaticContact CD2-CD1 3.27Å; Y391-F462 HydrophobicContact CD2-CD1 3.27Å; Y391-F462 HydrophobicContact CD2-CD2 4.05Å; Y391-F462 AromaticContact CD2-CE1 3.59Å; Y391-F462 HydrophobicContact CD2-CE1 3.59Å; Y391-F462 HydrophobicContact CD2-CE2 4.33Å; Y391-F462 AromaticContact CD2-CG 3.5Å; Y391-F462 HydrophobicContact CD2-CG 3.5Å; Y391-F462 VanDerWaalsContact CD2-CG 3.5Å; Y391-F462 HydrophobicContact CD2-CZ 4.11Å; Y391-F462 HydrophobicContact CE2-CB 3.88Å; Y391-F462 AromaticContact CE2-CD1 3.74Å; Y391-F462 HydrophobicContact CE2-CD1 3.74Å; Y391-F462 AromaticContact CE2-CD2 3.6Å; Y391-F462 HydrophobicContact CE2-CD2 3.6Å; Y391-F462 HydrophobicContact CE2-CE1 4.08Å; Y391-F462 AromaticContact CE2-CE2 3.97Å; Y391-F462 HydrophobicContact CE2-CE2 3.97Å; Y391-F462 AromaticContact CE2-CG 3.45Å; Y391-F462 HydrophobicContact CE2-CG 3.45Å; Y391-F462 VanDerWaalsContact CE2-CG 3.45Å; Y391-F462 HydrophobicContact CE2-CZ 4.17Å; Y391-F462 HydrophobicContact CG-CD1 4.33Å; Y391-F462 HydrophobicContact CG-CE1 4.37Å; V394-F462 HydrophobicContact CB-CE1 4.23Å; V394-F462 HydrophobicContact CB-CZ 4.15Å; V394-F462 HydrophobicContact CG1-CE1 4.14Å; V394-F462 HydrophobicContact CG1-CZ 3.73Å; M395-F462 HydrophobicContact CG-CE2 4.43Å; M395-F462 HydrophobicContact CG-CZ 4.23Å; M395-F462 HydrophobicContact SD-CE2 3.67Å; M395-F462 HydrophobicContact SD-CZ 3.88Å; Y413-F462 HydrophobicContact CD2-CD2 4.39Å; Y413-F462 HydrophobicContact CE2-CB 4.45Å; Y413-F462 AromaticContact CE2-CD2 3.56Å; Y413-F462 HydrophobicContact CE2-CD2 3.56Å; Y413-F462 HydrophobicContact CE2-CE2 4.19Å; Y413-F462 HydrophobicContact CE2-CG 4.27Å; Y413-F462 WeakPolarHBondContact OH-CA 3.05Å; T458-F462 WeakPolarHBondContact O-CB 3.47Å; T458-F462 PolarHBondContact O-N 3.35Å; T459-F462 WeakPolarHBondContact O-CB 3.27Å; T459-F462 PolarHBondContact O-N 3.28Å; T459-F462 VanDerWaalsContact O-N 3.14Å; F462-I465 PolarHBondContact O-N 3.03Å; F462-C466 HydrophobicContact CD1-CB 4.41Å; F462-C466 HydrophobicContact CE1-CB 4.17Å; F462-C466 VanDerWaalsContact CE2-SG 3.55Å; F462-C466 HydrophobicContact CZ-CB 4.48Å; F462-C466 WeakPolarHBondContact CZ-SG 3.2Å; F462-C466 VanDerWaalsContact O-CB 3.27Å; F462-C466 WeakPolarHBondContact O-CB 3.32Å; F462-C466 PolarHBondContact O-N 2.97Å; F462-C466 PolarHBondContact O-SG 3.33Å
463M88.1Confident85.8Confident0 Ų020 Ų200%013%0.125CC..Hα-helixtrans-66.3-46.2-179.8-62.3-66.1-75.800111.6M387 I390 T459 Q460 R461 I465 C466 F467 V471M387-M463 HydrophobicContact SD-CE 3.8Å; I390-M463 HydrophobicContact CB-CE 4.14Å; I390-M463 HydrophobicContact CD1-CE 4.27Å; I390-M463 HydrophobicContact CG2-CE 3.8Å; I390-M463 HydrophobicContact CG2-SD 4.18Å; T459-M463 HydrophobicContact CG2-CG 4.21Å; T459-M463 WeakPolarHBondContact O-CG 3.37Å; T459-M463 PolarHBondContact O-N 3.12Å; Q460-M463 PolarHBondContact O-N 2.9Å; R461-M463 VanDerWaalsContact C-N 3.27Å; R461-M463 PolarHBondContact O-N 3.05Å; M463-I465 PolarHBondContact O-N 3.49Å; M463-C466 PolarHBondContact O-N 3.17Å; M463-F467 HydrophobicContact CB-CD2 4.36Å; M463-F467 HydrophobicContact CE-CD2 3.62Å; M463-F467 HydrophobicContact CE-CE2 3.31Å; M463-F467 HydrophobicContact CE-CZ 4.29Å; M463-F467 WeakPolarHBondContact O-CB 3.22Å; M463-F467 PolarHBondContact O-N 3.39Å; M463-F467 HydrophobicContact SD-CD2 3.87Å; M463-F467 HydrophobicContact SD-CE2 3.5Å; M463-F467 WeakPolarHBondContact SD-CE2 3.27Å; M463-V471 HydrophobicContact CB-CB 4.35Å; M463-V471 HydrophobicContact CB-CG1 4.12Å; M463-V471 HydrophobicContact CB-CG2 3.8Å
464N88.4Confident86.4Confident5 Ų518.8 Ų18.83%0.02712%0.117CC..Hα-helixtrans-51.1-44.8173.2-89.1-43.6000112Q460 R461 C468 C469 V471 Y492Q460-N464 PolarHBondContact O-N 3.43Å; Q460-N464 PolarHBondContact O-ND2 3.41Å; R461-N464 WeakPolarHBondContact O-CB 3.49Å; R461-N464 PolarHBondContact O-N 2.91Å; N464-C468 PolarHBondContact O-N 3.27Å; N464-C469 PolarHBondContact OD1-O 3.47Å; N464-V471 WeakPolarHBondContact OD1-CB 3.42Å; N464-V471 PolarHBondContact OD1-N 2.99Å; N464-Y492 HydrophobicContact CB-CD1 4.1Å; N464-Y492 HydrophobicContact CB-CE1 4.39Å
465I87.2Confident87.2Confident3 Ų316 Ų162%0.01510%0.096CC..Hα-helixtrans-73.2-49.1-179.2-65.7161.6000111Y413 K416 M417 I420 F434 R461 F462 M463Y413-I465 HydrophobicContact CD2-CB 4.13Å; Y413-I465 HydrophobicContact CD2-CD1 4.34Å; Y413-I465 HydrophobicContact CD2-CG2 3.45Å; Y413-I465 VanDerWaalsContact CD2-CG2 3.45Å; Y413-I465 HydrophobicContact CE1-CD1 3.95Å; Y413-I465 HydrophobicContact CE2-CB 3.81Å; Y413-I465 HydrophobicContact CE2-CD1 3.68Å; Y413-I465 HydrophobicContact CE2-CG1 4.37Å; Y413-I465 HydrophobicContact CE2-CG2 3.67Å; Y413-I465 HydrophobicContact CG-CG2 4.13Å; Y413-I465 VanDerWaalsContact CZ-CD1 3.45Å; K416-I465 HydrophobicContact CB-CG2 4.14Å; K416-I465 HydrophobicContact CD-CG2 3.91Å; K416-I465 WeakPolarHBondContact CE-O 3.37Å; K416-I465 HydrophobicContact CG-CG2 4.01Å; K416-I465 PolarHBondContact NZ-O 3.18Å; M417-I465 HydrophobicContact CB-CD1 3.63Å; M417-I465 HydrophobicContact CB-CG1 4.5Å; M417-I465 HydrophobicContact CG-CD1 3.88Å; I420-I465 HydrophobicContact CD1-CG1 4.19Å; F434-I465 HydrophobicContact CE1-CG2 4.28Å; F434-I465 HydrophobicContact CZ-CG2 3.93Å; R461-I465 HydrophobicContact CG-CD1 3.86Å; R461-I465 WeakPolarHBondContact O-CD1 3.35Å; R461-I465 VanDerWaalsContact O-CG1 3.32Å; R461-I465 WeakPolarHBondContact O-CG1 3.49Å; R461-I465 PolarHBondContact O-N 2.89Å; F462-I465 PolarHBondContact O-N 3.03Å; M463-I465 PolarHBondContact O-N 3.49Å
466C86.4Confident87.7Confident0 Ų016.9 Ų16.90%011%0.107CC..Hα-helixtrans-74.3-39.7-170.5-71.70000113.5F434 V437 F462 M463 C468F434-C466 HydrophobicContact CD1-CB 4.39Å; F434-C466 HydrophobicContact CE1-CB 4.49Å; V437-C466 HydrophobicContact CG1-CB 3.89Å; F462-C466 HydrophobicContact CD1-CB 4.41Å; F462-C466 HydrophobicContact CE1-CB 4.17Å; F462-C466 VanDerWaalsContact CE2-SG 3.55Å; F462-C466 HydrophobicContact CZ-CB 4.48Å; F462-C466 WeakPolarHBondContact CZ-SG 3.2Å; F462-C466 VanDerWaalsContact O-CB 3.27Å; F462-C466 WeakPolarHBondContact O-CB 3.32Å; F462-C466 PolarHBondContact O-N 2.97Å; F462-C466 PolarHBondContact O-SG 3.33Å; M463-C466 PolarHBondContact O-N 3.17Å; C466-C468 VanDerWaalsContact C-N 3.33Å
467F84.6Confident88.4Confident3 Ų317.4 Ų17.41%0.01311%0.109CC..Hα-helixtrans-86.2-8.5-179.5-71.4-74.7000113.5I390 V394 V437 R438 L441 M463 C469I390-F467 HydrophobicContact CG2-CE2 3.62Å; I390-F467 HydrophobicContact CG2-CZ 3.39Å; V394-F467 HydrophobicContact CG2-CZ 4.46Å; V437-F467 HydrophobicContact CG1-CE1 4.32Å; V437-F467 HydrophobicContact CG1-CZ 4.22Å; V437-F467 WeakPolarHBondContact O-CE1 3.38Å; R438-F467 WeakPolarHBondContact CG-O 3.3Å; R438-F467 PolarHBondContact NE-O 3.16Å; L441-F467 HydrophobicContact CB-CD1 4.42Å; L441-F467 HydrophobicContact CB-CE1 4.12Å; L441-F467 HydrophobicContact CD1-CD1 3.65Å; L441-F467 HydrophobicContact CD1-CE1 3.4Å; L441-F467 VanDerWaalsContact CD1-CE1 3.4Å; L441-F467 HydrophobicContact CD1-CE2 4.3Å; L441-F467 HydrophobicContact CD1-CG 4.22Å; L441-F467 HydrophobicContact CD1-CZ 3.76Å; L441-F467 HydrophobicContact CG-CD1 4.11Å; L441-F467 HydrophobicContact CG-CE1 3.51Å; L441-F467 HydrophobicContact CG-CZ 4.03Å; M463-F467 HydrophobicContact CB-CD2 4.36Å; M463-F467 HydrophobicContact CE-CD2 3.62Å; M463-F467 HydrophobicContact CE-CE2 3.31Å; M463-F467 HydrophobicContact CE-CZ 4.29Å; M463-F467 WeakPolarHBondContact O-CB 3.22Å; M463-F467 PolarHBondContact O-N 3.39Å; M463-F467 HydrophobicContact SD-CD2 3.87Å; M463-F467 HydrophobicContact SD-CE2 3.5Å; M463-F467 WeakPolarHBondContact SD-CE2 3.27Å; F467-C469 PolarHBondContact O-N 2.9Å
468C84.1Confident88.9Confident30 Ų3016.3 Ų16.320%0.20310%0.098CC..SBendtrans5927.8178-42.70000113K416 N430 F434 R438 N464 C466K416-C468 PolarHBondContact NZ-SG 2.9Å; N430-C468 HydrophobicContact CB-CB 4.43Å; N430-C468 PolarHBondContact OD1-SG 2.86Å; N430-C468 VanDerWaalsContact OD1-SG 3.35Å; F434-C468 WeakPolarHBondContact CB-SG 3.14Å; R438-C468 VanDerWaalsContact CD-SG 3.58Å; N464-C468 PolarHBondContact O-N 3.27Å; C466-C468 VanDerWaalsContact C-N 3.33Å
469C86.2Confident89.7Confident2 Ų213.8 Ų13.81%0.0148%0.081CC..SBendtrans-135.7154.417965.60000109.6I445 R446 N464 F467 V471I445-C469 HydrophobicContact CG2-CB 4.36Å; R446-C469 WeakPolarHBondContact O-CB 3.42Å; N464-C469 PolarHBondContact OD1-O 3.47Å; F467-C469 PolarHBondContact O-N 2.9Å; C469-V471 PolarHBondContact O-N 3.01Å
470P88.1Confident90.4Very high19 Ų1913.8 Ų13.812%0.1238%0.081CC..  trans-58.1128.2167.9-25.536.6000111.6R446 L447 L448 V489 Y492R446-P470 WeakPolarHBondContact O-CD 3.36Å; L447-P470 HydrophobicContact CD1-CB 3.96Å; L448-P470 PolarHBondContact N-O 3.3Å; L448-P470 VanDerWaalsContact N-O 3.08Å; P470-V489 HydrophobicContact CB-CG1 4.09Å; P470-V489 WeakPolarHBondContact CB-O 3.28Å; P470-V489 HydrophobicContact CG-CG1 3.63Å; P470-V489 WeakPolarHBondContact CG-O 3.22Å; P470-Y492 WeakPolarHBondContact CG-OH 3.42Å
471V91.1Very high90.9Very high2 Ų213.8 Ų13.81%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-116.394.2174174.20000106.6L448 Q460 M463 N464 C469L448-V471 HydrophobicContact CB-CG2 4.48Å; L448-V471 HydrophobicContact CD2-CB 4.14Å; L448-V471 HydrophobicContact CD2-CG1 3.59Å; L448-V471 HydrophobicContact CD2-CG2 3.94Å; L448-V471 WeakPolarHBondContact O-CA 3.38Å; Q460-V471 HydrophobicContact CG-CG1 4.07Å; Q460-V471 PolarHBondContact NE2-O 3.36Å; M463-V471 HydrophobicContact CB-CB 4.35Å; M463-V471 HydrophobicContact CB-CG1 4.12Å; M463-V471 HydrophobicContact CB-CG2 3.8Å; N464-V471 WeakPolarHBondContact OD1-CB 3.42Å; N464-V471 PolarHBondContact OD1-N 2.99Å; C469-V471 PolarHBondContact O-N 3.01Å
472G90.6Very high91.2Very high7 Ų711.1 Ų11.17%0.0728%0.076CC..EExtended strand (participates in β ladder)trans-90.1152.2-179.500000111.7L448 C450L448-G472 PolarHBondContact O-N 2.95Å; C450-G472 PolarHBondContact N-O 3.5Å
473Q92.6Very high91.6Very high13 Ų1311 Ų116%0.0618%0.075CC..EExtended strand (participates in β ladder)trans-99.7143.1166.5-65-166.560.600109.5C450 L455 T487 V497C450-Q473 CarbonylContact O-C 3.24Å; C450-Q473 WeakPolarHBondContact O-CA 3.44Å; L455-Q473 HydrophobicContact CB-CG 4.49Å; L455-Q473 HydrophobicContact CD2-CG 4.45Å; Q473-T487 PolarHBondContact N-OG1 2.89Å; Q473-T487 PolarHBondContact O-N 3.18Å; Q473-T487 PolarHBondContact O-OG1 3.41Å; Q473-T487 VanDerWaalsContact O-OG1 3.07Å; Q473-V497 HydrophobicContact CB-CG1 4.13Å
474G93.7Very high92.1Very high15 Ų1511 Ų1116%0.1558%0.075CC..EExtended strand (participates in β ladder)trans-121.2138.7173.500000111C450 T485C450-G474 PolarHBondContact O-N 2.92Å; G474-T485 CarbonylContact C-O 3.58Å; G474-T485 VanDerWaalsContact CA-O 3.28Å; G474-T485 WeakPolarHBondContact CA-O 3.45Å
475Y95.9Very high92.5Very high22 Ų2210.8 Ų10.89%0.0867%0.074CC..EExtended strand (participates in β ladder)trans-119.6131.9173.8171.4-103.8000110.5L477 G484 T485 V497 I528 I530 T562 D564 L574 I576Y475-L477 HydrophobicContact CE1-CD1 4.33Å; Y475-L477 HydrophobicContact CE2-CD1 4.21Å; Y475-G484 CarbonylContact O-C 3.59Å; Y475-G484 VanDerWaalsContact O-CA 3.25Å; Y475-G484 WeakPolarHBondContact O-CA 3.29Å; Y475-G484 PolarHBondContact O-N 2.83Å; Y475-T485 PolarHBondContact N-O 2.72Å; Y475-T485 PolarHBondContact O-N 3.05Å; Y475-V497 HydrophobicContact CG-CG2 4.5Å; Y475-I528 HydrophobicContact CE1-CD1 4.23Å; Y475-I528 HydrophobicContact CE1-CG2 4.03Å; Y475-I530 HydrophobicContact CE1-CD1 4.02Å; Y475-T562 WeakPolarHBondContact OH-CB 3.36Å; Y475-T562 PolarHBondContact OH-OG1 3.23Å; Y475-D564 WeakPolarHBondContact OH-CB 3.4Å; Y475-D564 PolarHBondContact OH-OD2 2.94Å; Y475-D564 VanDerWaalsContact OH-OD2 3.1Å; Y475-L574 HydrophobicContact CD1-CD2 4.15Å; Y475-L574 HydrophobicContact CE1-CD2 4.38Å; Y475-I576 HydrophobicContact CD1-CD1 4.06Å; Y475-I576 HydrophobicContact CD2-CD1 3.72Å; Y475-I576 HydrophobicContact CD2-CG1 4.04Å; Y475-I576 HydrophobicContact CE1-CD1 4.18Å; Y475-I576 HydrophobicContact CE2-CD1 3.87Å; Y475-I576 HydrophobicContact CE2-CG1 4.47Å; Y475-I576 HydrophobicContact CG-CD1 3.81Å; Y475-I576 HydrophobicContact CG-CG1 4.33Å
476G94.8Very high92.9Very high28 Ų2811.4 Ų11.429%0.2898%0.077SC..  trans179.9157.118000000109.9
477L95.1Very high93.3Very high28 Ų2811.7 Ų11.715%0.1478%0.079CC..  trans-119167.8-179.8-59.593.1000109.7Y475 E479 S480 A481 G482 I530 L560 T562Y475-L477 HydrophobicContact CE1-CD1 4.33Å; Y475-L477 HydrophobicContact CE2-CD1 4.21Å; L477-E479 HydrophobicContact CB-CB 4.38Å; L477-E479 WeakPolarHBondContact CB-OE2 3.21Å; L477-E479 PolarHBondContact O-N 3.4Å; L477-S480 PolarHBondContact N-OG 3.29Å; L477-S480 VanDerWaalsContact N-OG 3.07Å; L477-S480 PolarHBondContact O-N 3.09Å; L477-S480 VanDerWaalsContact O-N 3.12Å; L477-S480 PolarHBondContact O-OG 3.3Å; L477-A481 PolarHBondContact O-N 3.41Å; L477-G482 WeakPolarHBondContact O-CA 3.26Å; L477-G482 PolarHBondContact O-N 3.14Å; L477-I530 HydrophobicContact CD1-CD1 4.22Å; L477-L560 HydrophobicContact CD1-CD2 4.42Å; L477-T562 HydrophobicContact CD1-CG2 3.79Å
478T95.6Very high93.5Very high14 Ų1412.2 Ų12.29%0.0868%0.081CC..G310 helixtrans-62.4-36.9173.9-54.20000109.8M285 T287 V297 I299 S480 A481 T536M285-T478 HydrophobicContact CB-CG2 3.9Å; M285-T478 HydrophobicContact CG-CG2 3.87Å; M285-T478 HydrophobicContact SD-CG2 3.73Å; T287-T478 HydrophobicContact CG2-CG2 3.67Å; T287-T478 WeakPolarHBondContact CG2-OG1 3.33Å; V297-T478 HydrophobicContact CB-CG2 3.81Å; V297-T478 HydrophobicContact CG1-CG2 4.14Å; V297-T478 HydrophobicContact CG2-CG2 3.86Å; I299-T478 HydrophobicContact CD1-CG2 4.11Å; T478-S480 PolarHBondContact O-N 2.78Å; T478-S480 VanDerWaalsContact O-N 3.14Å; T478-A481 PolarHBondContact O-N 2.87Å; T478-T536 WeakPolarHBondContact O-CG2 3.46Å
479E97.2Very high93.7Very high25 Ų2512.2 Ų12.212%0.1178%0.081CC..G310 helixtrans-62-15.2176.6-65.682.6175.400113.9V297 L477 T536 Y539 F550 L560V297-E479 HydrophobicContact CG2-CG 4.28Å; L477-E479 HydrophobicContact CB-CB 4.38Å; L477-E479 WeakPolarHBondContact CB-OE2 3.21Å; L477-E479 PolarHBondContact O-N 3.4Å; E479-T536 VanDerWaalsContact C-CG2 3.47Å; E479-T536 WeakPolarHBondContact CA-OG1 3.48Å; E479-T536 WeakPolarHBondContact O-CB 3.22Å; E479-T536 VanDerWaalsContact O-CG2 3.22Å; E479-T536 WeakPolarHBondContact O-CG2 3.41Å; E479-T536 PolarHBondContact O-N 3.49Å; E479-T536 PolarHBondContact O-OG1 3.04Å; E479-Y539 HydrophobicContact CG-CE1 4.14Å; E479-Y539 PolarHBondContact OE1-OH 2.88Å; E479-F550 HydrophobicContact CB-CE1 4.34Å; E479-F550 HydrophobicContact CB-CZ 3.78Å; E479-F550 HydrophobicContact CG-CE2 4.49Å; E479-F550 HydrophobicContact CG-CZ 3.95Å; E479-L560 HydrophobicContact CB-CD1 3.8Å; E479-L560 HydrophobicContact CB-CD2 3.56Å; E479-L560 HydrophobicContact CB-CG 4.34Å; E479-L560 HydrophobicContact CG-CD1 4.37Å
480S97.2Very high93.6Very high0 Ų016 Ų160%010%0.095CC..G310 helixtrans-117.420.9175.574.10000113.3L477 T478 G482 A483 N534L477-S480 PolarHBondContact N-OG 3.29Å; L477-S480 VanDerWaalsContact N-OG 3.07Å; L477-S480 PolarHBondContact O-N 3.09Å; L477-S480 VanDerWaalsContact O-N 3.12Å; L477-S480 PolarHBondContact O-OG 3.3Å; T478-S480 PolarHBondContact O-N 2.78Å; T478-S480 VanDerWaalsContact O-N 3.14Å; S480-G482 PolarHBondContact O-N 2.92Å; S480-G482 VanDerWaalsContact O-N 3.17Å; S480-A483 VanDerWaalsContact CB-O 3.24Å; S480-A483 WeakPolarHBondContact CB-O 3.44Å; S480-A483 PolarHBondContact O-N 3.4Å; S480-A483 PolarHBondContact OG-O 3.43Å; S480-N534 CarbonylContact C-O 3.56Å; S480-N534 WeakPolarHBondContact CA-O 3.49Å; S480-N534 PolarHBondContact O-ND2 3.4Å; S480-N534 VanDerWaalsContact O-ND2 3.09Å
481A97Very high93.5Very high0 Ų015.4 Ų15.40%09%0.09CC..THydrogen-bonded Turntrans54.630-174.800000113.5I299 N303 S337 L477 T478 A483 N534I299-A481 HydrophobicContact CG2-CB 4.17Å; N303-A481 HydrophobicContact CB-CB 4.32Å; S337-A481 PolarHBondContact OG-O 3.39Å; L477-A481 PolarHBondContact O-N 3.41Å; T478-A481 PolarHBondContact O-N 2.87Å; A481-A483 PolarHBondContact O-N 3.25Å; A481-N534 PolarHBondContact N-O 3.44Å
482G94.3Very high93.2Very high16 Ų1617.7 Ų17.717%0.16510%0.099CC..THydrogen-bonded Turntrans77.5-3.1-177.600000114.6M311 L477 S480M311-G482 WeakPolarHBondContact CE-O 3.49Å; L477-G482 WeakPolarHBondContact O-CA 3.26Å; L477-G482 PolarHBondContact O-N 3.14Å; S480-G482 PolarHBondContact O-N 2.92Å; S480-G482 VanDerWaalsContact O-N 3.17Å
483A96.3Very high93Very high0 Ų020.8 Ų20.80%011%0.114CC..  trans-97.7136.6-176.700000112M311 S480 A481 L501 N534M311-A483 HydrophobicContact CE-CB 3.97Å; S480-A483 VanDerWaalsContact CB-O 3.24Å; S480-A483 WeakPolarHBondContact CB-O 3.44Å; S480-A483 PolarHBondContact O-N 3.4Å; S480-A483 PolarHBondContact OG-O 3.43Å; A481-A483 PolarHBondContact O-N 3.25Å; A483-L501 HydrophobicContact CB-CD1 3.86Å; A483-N534 HydrophobicContact CB-CB 4.09Å; A483-N534 PolarHBondContact O-ND2 2.86Å; A483-N534 VanDerWaalsContact O-ND2 3.1Å
484G97.2Very high92.7Very high0 Ų021.5 Ų21.50%012%0.119CC..SBendtrans-167.1-75.3175.700000110.1Y475 P500 L501 C504Y475-G484 CarbonylContact O-C 3.59Å; Y475-G484 VanDerWaalsContact O-CA 3.25Å; Y475-G484 WeakPolarHBondContact O-CA 3.29Å; Y475-G484 PolarHBondContact O-N 2.83Å; G484-P500 WeakPolarHBondContact O-CA 3.17Å; G484-L501 PolarHBondContact O-N 2.97Å; G484-C504 PolarHBondContact O-SG 3.07Å
485T97.4Very high92.3Very high0 Ų022.1 Ų22.10%013%0.126CC..EExtended strand (participates in β ladder)trans-137.2150.9174.872.40000111G474 Y475 V497 A499 I506 L574G474-T485 CarbonylContact C-O 3.58Å; G474-T485 VanDerWaalsContact CA-O 3.28Å; G474-T485 WeakPolarHBondContact CA-O 3.45Å; Y475-T485 PolarHBondContact N-O 2.72Å; Y475-T485 PolarHBondContact O-N 3.05Å; T485-V497 CarbonylContact C-O 3.58Å; T485-V497 WeakPolarHBondContact CB-O 3.15Å; T485-V497 WeakPolarHBondContact OG1-CB 3.43Å; T485-V497 WeakPolarHBondContact OG1-CG2 3.21Å; T485-V497 PolarHBondContact OG1-O 2.9Å; T485-A499 WeakPolarHBondContact CA-O 3.33Å; T485-A499 WeakPolarHBondContact CB-O 3.48Å; T485-I506 HydrophobicContact CG2-CD1 3.46Å; T485-I506 VanDerWaalsContact CG2-CD1 3.46Å; T485-L574 HydrophobicContact CG2-CB 4.07Å; T485-L574 HydrophobicContact CG2-CD2 3.93Å
486I95.9Very high92.1Very high16 Ų1622 Ų228%0.08213%0.125CC..EExtended strand (participates in β ladder)trans-140.8135.6169.6-67.3179.4000108.5M311 R314 L449 E488 V497 L501M311-I486 HydrophobicContact CB-CD1 4.26Å; M311-I486 HydrophobicContact CG-CD1 3.93Å; R314-I486 HydrophobicContact CB-CB 4.35Å; R314-I486 HydrophobicContact CB-CG2 3.91Å; R314-I486 HydrophobicContact CG-CB 4.01Å; R314-I486 HydrophobicContact CG-CG2 4.09Å; R314-I486 PolarHBondContact NH1-O 2.83Å; L449-I486 HydrophobicContact CD1-CD1 4.32Å; L449-I486 HydrophobicContact CD1-CG1 4.28Å; L449-I486 HydrophobicContact CD1-CG2 3.61Å; L449-I486 HydrophobicContact CD2-CD1 4.45Å; I486-E488 PolarHBondContact O-N 2.78Å; I486-V497 CarbonylContact C-O 3.42Å; I486-V497 PolarHBondContact N-O 3.19Å; I486-L501 HydrophobicContact CB-CD2 3.88Å; I486-L501 HydrophobicContact CD1-CD1 4.29Å; I486-L501 HydrophobicContact CD1-CD2 4.11Å; I486-L501 HydrophobicContact CG1-CD1 4.38Å; I486-L501 HydrophobicContact CG1-CD2 3.92Å
487T93.8Very high92.1Very high6 Ų621.1 Ų21.14%0.03711%0.114CC..  trans-58.9131.4172.5-49.10000111.3Q473 D491 V497Q473-T487 PolarHBondContact N-OG1 2.89Å; Q473-T487 PolarHBondContact O-N 3.18Å; Q473-T487 PolarHBondContact O-OG1 3.41Å; Q473-T487 VanDerWaalsContact O-OG1 3.07Å; T487-D491 HydrophobicContact CG2-CB 3.85Å; T487-D491 WeakPolarHBondContact CG2-O 3.34Å; T487-V497 PolarHBondContact N-O 3.15Å
488E90.3Very high92Very high13 Ų1319.8 Ų19.86%0.06111%0.107CC..  trans-66.5149.2174.1-71171.2-162.100111.6K56 I486 W490 D491K56-E488 WeakPolarHBondContact CB-OE1 3.46Å; K56-E488 HydrophobicContact CD-CG 4.45Å; K56-E488 WeakPolarHBondContact CD-OE2 3.33Å; K56-E488 VanDerWaalsContact CG-OE1 3.28Å; K56-E488 WeakPolarHBondContact CG-OE1 3.41Å; K56-E488 WeakPolarHBondContact CG-OE2 3.43Å; I486-E488 PolarHBondContact O-N 2.78Å; E488-W490 HydrophobicContact CB-CD2 4.27Å; E488-W490 HydrophobicContact CB-CZ2 3.95Å; E488-W490 HydrophobicContact CG-CZ2 3.99Å; E488-W490 PolarHBondContact O-N 3Å; E488-W490 VanDerWaalsContact O-N 3.12Å; E488-W490 WeakPolarHBondContact OE2-CZ2 3.45Å; E488-W490 PolarHBondContact OE2-NE1 2.99Å; E488-D491 HydrophobicContact CB-CB 4.43Å; E488-D491 PolarHBondContact O-N 3.26Å
489V87.5Confident92Very high31 Ų3119.1 Ų19.119%0.18810%0.103CC..THydrogen-bonded Turntrans-64.2-23.2-171.5178.60000113.7R314 P316 L447 P470R314-V489 VanDerWaalsContact O-CG2 3.27Å; R314-V489 WeakPolarHBondContact O-CG2 3.34Å; P316-V489 HydrophobicContact CG-CB 4.08Å; P316-V489 HydrophobicContact CG-CG1 4.3Å; P316-V489 HydrophobicContact CG-CG2 3.85Å; L447-V489 HydrophobicContact CD1-CG2 3.99Å; L447-V489 HydrophobicContact CD2-CG2 4.47Å; P470-V489 HydrophobicContact CB-CG1 4.09Å; P470-V489 WeakPolarHBondContact CB-O 3.28Å; P470-V489 HydrophobicContact CG-CG1 3.63Å; P470-V489 WeakPolarHBondContact CG-O 3.22Å
490W83.1Confident92.1Very high81 Ų8118 Ų1831%0.30710%0.098SC..THydrogen-bonded Turntrans-92.6-717647.281.7000113.7K51 E488 Y492K51-W490 HydrophobicContact CB-CB 4.29Å; K51-W490 HydrophobicContact CB-CG 3.97Å; E488-W490 HydrophobicContact CB-CD2 4.27Å; E488-W490 HydrophobicContact CB-CZ2 3.95Å; E488-W490 HydrophobicContact CG-CZ2 3.99Å; E488-W490 PolarHBondContact O-N 3Å; E488-W490 VanDerWaalsContact O-N 3.12Å; E488-W490 WeakPolarHBondContact OE2-CZ2 3.45Å; E488-W490 PolarHBondContact OE2-NE1 2.99Å; W490-Y492 WeakPolarHBondContact O-CD2 3.34Å
491D86Confident92.1Very high6 Ų618 Ų183%0.03210%0.098CC..  trans-90106.2178.6-175.614000111.3T487 E488 N493 R496T487-D491 HydrophobicContact CG2-CB 3.85Å; T487-D491 WeakPolarHBondContact CG2-O 3.34Å; E488-D491 HydrophobicContact CB-CB 4.43Å; E488-D491 PolarHBondContact O-N 3.26Å; D491-N493 WeakPolarHBondContact OD1-CB 3.36Å; D491-N493 PolarHBondContact OD1-N 2.82Å; D491-N493 PolarHBondContact OD1-ND2 3.09Å; D491-R496 VanDerWaalsContact CG-NH2 3.28Å; D491-R496 IonicContact OD1-CZ 3.48Å; D491-R496 IonicContact OD1-NE 3.65Å; D491-R496 IonicContact OD1-NH2 3.7Å; D491-R496 PolarHBondContact OD1-NH2 3.23Å; D491-R496 IonicContact OD2-CZ 3.82Å; D491-R496 IonicContact OD2-NE 2.8Å; D491-R496 PolarHBondContact OD2-NE 2.76Å; D491-R496 VanDerWaalsContact OD2-NE 3.15Å; D491-R496 IonicContact OD2-NH2 3.62Å; D491-R496 PolarHBondContact OD2-NH2 3.12Å
492Y84.8Confident92.1Very high51 Ų5118.5 Ų18.520%0.210%0.101CC..  trans-95.45.5177.8-74.1-97.2000113.1I420 N464 P470 W490I420-Y492 HydrophobicContact CG2-CD1 3.53Å; I420-Y492 HydrophobicContact CG2-CD2 4.33Å; I420-Y492 HydrophobicContact CG2-CE1 4.09Å; I420-Y492 HydrophobicContact CG2-CG 3.66Å; N464-Y492 HydrophobicContact CB-CD1 4.1Å; N464-Y492 HydrophobicContact CB-CE1 4.39Å; P470-Y492 WeakPolarHBondContact CG-OH 3.42Å; W490-Y492 WeakPolarHBondContact O-CD2 3.34Å
493N86.3Confident92.2Very high71 Ų7117.8 Ų17.838%0.389%0.093SC..  trans-64.3146.9173.8-66.7-62.1000110.4D491 R496D491-N493 WeakPolarHBondContact OD1-CB 3.36Å; D491-N493 PolarHBondContact OD1-N 2.82Å; D491-N493 PolarHBondContact OD1-ND2 3.09Å; N493-R496 PolarHBondContact ND2-NH2 2.82Å; N493-R496 VanDerWaalsContact ND2-NH2 3.18Å
494T88.2Confident92.2Very high28 Ų2817.8 Ų17.817%0.1729%0.093CC..  trans-119.3148.7-172.357.90000111.5Q460 R461Q460-T494 HydrophobicContact CB-CG2 4.13Å; Q460-T494 HydrophobicContact CG-CG2 4.15Å; R461-T494 HydrophobicContact CB-CG2 3.9Å; R461-T494 PolarHBondContact NH2-OG1 2.85Å; R461-T494 VanDerWaalsContact NH2-OG1 3.13Å
495G84.8Confident92.2Very high29 Ų2918.3 Ų18.330%0.29910%0.096SC..SBendtrans87.318.817900000114.5K575G495-K575 WeakPolarHBondContact O-CG 3.46Å
496R91.6Very high92.2Very high19 Ų1918.3 Ų18.37%0.07210%0.096CC..  trans-139.5163173.766.3-171.4-169.3169.55.8110.2D491 N493 D569 D571 K575D491-R496 VanDerWaalsContact CG-NH2 3.28Å; D491-R496 IonicContact OD1-CZ 3.48Å; D491-R496 IonicContact OD1-NE 3.65Å; D491-R496 IonicContact OD1-NH2 3.7Å; D491-R496 PolarHBondContact OD1-NH2 3.23Å; D491-R496 IonicContact OD2-CZ 3.82Å; D491-R496 IonicContact OD2-NE 2.8Å; D491-R496 PolarHBondContact OD2-NE 2.76Å; D491-R496 VanDerWaalsContact OD2-NE 3.15Å; D491-R496 IonicContact OD2-NH2 3.62Å; D491-R496 PolarHBondContact OD2-NH2 3.12Å; N493-R496 PolarHBondContact ND2-NH2 2.82Å; N493-R496 VanDerWaalsContact ND2-NH2 3.18Å; R496-D569 WeakPolarHBondContact CD-OD2 3.23Å; R496-D569 IonicContact CZ-OD2 2.76Å; R496-D569 IonicContact NE-OD2 3.39Å; R496-D569 IonicContact NH1-OD2 3.16Å; R496-D569 PolarHBondContact NH1-OD2 2.98Å; R496-D571 IonicContact CZ-OD1 3.74Å; R496-D571 IonicContact CZ-OD2 2.73Å; R496-D571 IonicContact NH1-OD1 2.68Å; R496-D571 PolarHBondContact NH1-OD1 3.02Å; R496-D571 IonicContact NH1-OD2 2.86Å; R496-D571 PolarHBondContact NH1-OD2 3.15Å; R496-D571 IonicContact NH2-OD2 2.8Å; R496-D571 PolarHBondContact NH2-OD2 2.71Å; R496-K575 HydrophobicContact CB-CB 4.31Å
497V93.7Very high92.2Very high10 Ų1020.1 Ų20.16%0.06110%0.103CC..  trans-110.710.8-171.9-63.80000113.9Q473 Y475 T485 I486 T487 L574 I576Q473-V497 HydrophobicContact CB-CG1 4.13Å; Y475-V497 HydrophobicContact CG-CG2 4.5Å; T485-V497 CarbonylContact C-O 3.58Å; T485-V497 WeakPolarHBondContact CB-O 3.15Å; T485-V497 WeakPolarHBondContact OG1-CB 3.43Å; T485-V497 WeakPolarHBondContact OG1-CG2 3.21Å; T485-V497 PolarHBondContact OG1-O 2.9Å; I486-V497 CarbonylContact C-O 3.42Å; I486-V497 PolarHBondContact N-O 3.19Å; T487-V497 PolarHBondContact N-O 3.15Å; V497-L574 HydrophobicContact CG2-CB 3.96Å; V497-L574 HydrophobicContact CG2-CD2 4.21Å; V497-L574 HydrophobicContact CG2-CG 4.12Å; V497-L574 WeakPolarHBondContact CG2-O 3.39Å; V497-L574 PolarHBondContact N-O 2.95Å; V497-I576 HydrophobicContact CG1-CG1 3.89Å; V497-I576 HydrophobicContact CG2-CD1 3.99Å; V497-I576 HydrophobicContact CG2-CG1 3.9Å
498G94.7Very high92.3Very high0 Ų020.6 Ų20.60%011%0.105CC..BIsolated β-bridgetrans84.1-175.5177.500000114.1L574G498-L574 PolarHBondContact O-N 2.78Å
499A95.7Very high92.5Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-84.9158.2179.500000112.2K56 A57 R314 T485 L501K56-A499 HydrophobicContact CB-CB 3.59Å; A57-A499 HydrophobicContact CB-CB 3.98Å; R314-A499 PolarHBondContact NH1-O 3.47Å; T485-A499 WeakPolarHBondContact CA-O 3.33Å; T485-A499 WeakPolarHBondContact CB-O 3.48Å; A499-L501 PolarHBondContact O-N 3Å
500P97.6Very high92.8Very high0 Ų026.4 Ų26.40%013%0.131CC..EExtended strand (participates in β ladder)trans-42.9138.1169.6-2933.7000112.8A57 R314 G484 I506A57-P500 HydrophobicContact CB-CG 4.3Å; R314-P500 PolarHBondContact NH2-O 3.16Å; G484-P500 WeakPolarHBondContact O-CA 3.17Å; P500-I506 HydrophobicContact CB-CD1 4.33Å; P500-I506 HydrophobicContact CB-CG1 4.32Å; P500-I506 HydrophobicContact CG-CB 4.26Å; P500-I506 HydrophobicContact CG-CD1 4.04Å; P500-I506 HydrophobicContact CG-CG1 4.1Å
501L97.6Very high93.3Very high1 Ų123.9 Ų23.91%0.00512%0.121CC..  trans-69.8154171.2-65-179000110.4M311 R314 A483 G484 I486 A499 C503 C504M311-L501 HydrophobicContact CG-CD1 4.06Å; R314-L501 HydrophobicContact CG-CD2 3.6Å; A483-L501 HydrophobicContact CB-CD1 3.86Å; G484-L501 PolarHBondContact O-N 2.97Å; I486-L501 HydrophobicContact CB-CD2 3.88Å; I486-L501 HydrophobicContact CD1-CD1 4.29Å; I486-L501 HydrophobicContact CD1-CD2 4.11Å; I486-L501 HydrophobicContact CG1-CD1 4.38Å; I486-L501 HydrophobicContact CG1-CD2 3.92Å; A499-L501 PolarHBondContact O-N 3Å; L501-C503 PolarHBondContact O-N 3.1Å; L501-C504 PolarHBondContact O-N 2.86Å; L501-C504 PolarHBondContact O-SG 3.39Å
502V97.1Very high93.4Very high10 Ų1030.9 Ų30.96%0.06115%0.154CC..THydrogen-bonded Turntrans-61.6-15.9-178.2-65.90000114.4N72 S73 L77 A78 E313N72-V502 HydrophobicContact CB-CG1 3.91Å; S73-V502 WeakPolarHBondContact OG-CA 3.4Å; L77-V502 CarbonylContact C-O 3.51Å; L77-V502 WeakPolarHBondContact CA-O 3.25Å; A78-V502 HydrophobicContact CB-CB 4.23Å; A78-V502 HydrophobicContact CB-CG2 3.94Å; A78-V502 PolarHBondContact N-O 3.22Å; E313-V502 HydrophobicContact CB-CG2 4.16Å; E313-V502 HydrophobicContact CG-CG1 4.31Å; E313-V502 HydrophobicContact CG-CG2 4.28Å
503C96.9Very high93.2Very high1 Ų135.7 Ų35.71%0.00718%0.178CC..THydrogen-bonded Turntrans-87.8-6.9178.267.30000114.6A78 A306 L501 N534A78-C503 WeakPolarHBondContact O-CA 3.41Å; A78-C503 WeakPolarHBondContact O-CB 3.43Å; A306-C503 HydrophobicContact CB-CB 4.35Å; A306-C503 WeakPolarHBondContact O-CB 3.32Å; A306-C503 PolarHBondContact O-SG 2.79Å; A306-C503 VanDerWaalsContact O-SG 3.41Å; L501-C503 PolarHBondContact O-N 3.1Å; C503-N534 PolarHBondContact O-OD1 3.26Å
504C96.8Very high92.9Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-144.1164.9-173.267.60000112.9G484 L501 I530 G531 N534G484-C504 PolarHBondContact O-SG 3.07Å; L501-C504 PolarHBondContact O-N 2.86Å; L501-C504 PolarHBondContact O-SG 3.39Å; C504-I530 HydrophobicContact CB-CG2 4.16Å; C504-G531 CarbonylContact C-O 3.57Å; C504-G531 WeakPolarHBondContact CA-O 3.46Å; C504-G531 VanDerWaalsContact CB-O 3.24Å; C504-G531 WeakPolarHBondContact CB-O 3.47Å; C504-N534 VanDerWaalsContact CB-OD1 3.31Å; C504-N534 WeakPolarHBondContact CB-OD1 3.33Å
505E96.5Very high92.7Very high12 Ų1232.7 Ų32.76%0.05617%0.169CC..EExtended strand (participates in β ladder)trans-129.9154.217360.3179.5170.100110.4A67 Y68 R69 L77 G531 W559A67-E505 HydrophobicContact CB-CB 3.96Å; A67-E505 HydrophobicContact CB-CG 4.08Å; A67-E505 WeakPolarHBondContact CB-OE2 3.19Å; Y68-E505 WeakPolarHBondContact O-CA 3.34Å; R69-E505 HydrophobicContact CG-CB 3.69Å; R69-E505 IonicContact CZ-OE2 3.25Å; R69-E505 VanDerWaalsContact CZ-OE2 3.25Å; R69-E505 IonicContact NE-OE2 2.78Å; R69-E505 PolarHBondContact NE-OE2 2.86Å; R69-E505 IonicContact NH2-OE1 3.61Å; R69-E505 IonicContact NH2-OE2 2.83Å; R69-E505 PolarHBondContact NH2-OE2 2.81Å; L77-E505 HydrophobicContact CD1-CG 4.36Å; L77-E505 HydrophobicContact CD2-CB 4.43Å; E505-G531 PolarHBondContact N-O 3.39Å; E505-G531 PolarHBondContact O-N 3.45Å; E505-W559 HydrophobicContact CG-CH2 3.59Å; E505-W559 HydrophobicContact CG-CZ2 4.22Å; E505-W559 HydrophobicContact CG-CZ3 4.26Å; E505-W559 WeakPolarHBondContact OE1-CZ2 3.38Å
506I97.4Very high93Very high0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-129.4129.9-172.4-61.3-174.9000111.2A67 Y68 T485 P500 I528 L529 I530 F568 L574A67-I506 CarbonylContact C-O 3.53Å; A67-I506 WeakPolarHBondContact CA-O 3.49Å; Y68-I506 PolarHBondContact N-O 2.88Å; Y68-I506 PolarHBondContact O-N 2.75Å; T485-I506 HydrophobicContact CG2-CD1 3.46Å; T485-I506 VanDerWaalsContact CG2-CD1 3.46Å; P500-I506 HydrophobicContact CB-CD1 4.33Å; P500-I506 HydrophobicContact CB-CG1 4.32Å; P500-I506 HydrophobicContact CG-CB 4.26Å; P500-I506 HydrophobicContact CG-CD1 4.04Å; P500-I506 HydrophobicContact CG-CG1 4.1Å; I506-I528 HydrophobicContact CG2-CG2 3.75Å; I506-L529 CarbonylContact C-O 3.58Å; I506-L529 VanDerWaalsContact CA-O 3.25Å; I506-L529 WeakPolarHBondContact CA-O 3.29Å; I506-I530 HydrophobicContact CG1-CG1 4.39Å; I506-F568 HydrophobicContact CB-CZ 4.01Å; I506-F568 HydrophobicContact CG2-CE2 4.21Å; I506-F568 HydrophobicContact CG2-CZ 3.7Å; I506-L574 HydrophobicContact CD1-CD2 4.19Å
507K95.4Very high93Very high53 Ų5334.7 Ų34.723%0.2317%0.17CC..EExtended strand (participates in β ladder)trans-111.8155.4172.3-69.4173179.2167.10110.5A67 L529 W559A67-K507 HydrophobicContact CB-CD 4.36Å; A67-K507 HydrophobicContact CB-CG 3.64Å; K507-L529 HydrophobicContact CB-CB 4.2Å; K507-L529 HydrophobicContact CB-CD1 4.45Å; K507-L529 PolarHBondContact N-O 3.36Å; K507-L529 PolarHBondContact O-N 3.09Å; K507-W559 HydrophobicContact CB-CZ3 4.08Å; K507-W559 HydrophobicContact CD-CE3 4.21Å; K507-W559 HydrophobicContact CD-CH2 3.41Å; K507-W559 VanDerWaalsContact CD-CH2 3.41Å; K507-W559 HydrophobicContact CD-CZ2 3.81Å; K507-W559 HydrophobicContact CD-CZ3 3.62Å; K507-W559 HydrophobicContact CG-CH2 3.62Å; K507-W559 HydrophobicContact CG-CZ2 4.49Å; K507-W559 HydrophobicContact CG-CZ3 3.64Å
508L95.6Very high92.8Very high16 Ų1635.5 Ų35.58%0.08417%0.174CC..EExtended strand (participates in β ladder)trans-106.9118.6166.5-62.7-179.2000109.3N518 P524 E527 I528 F568L508-N518 HydrophobicContact CB-CB 4.19Å; L508-P524 HydrophobicContact CD1-CB 4.23Å; L508-P524 HydrophobicContact CD1-CG 4.42Å; L508-P524 VanDerWaalsContact CD1-O 3.3Å; L508-P524 WeakPolarHBondContact CD1-O 3.25Å; L508-E527 CarbonylContact C-O 3.53Å; L508-E527 WeakPolarHBondContact CA-O 3.29Å; L508-I528 HydrophobicContact CD2-CG1 4.1Å; L508-F568 HydrophobicContact CD1-CD2 3.58Å; L508-F568 HydrophobicContact CD1-CE2 4.09Å; L508-F568 HydrophobicContact CD2-CD2 4.42Å; L508-F568 HydrophobicContact CD2-CE2 4.19Å; L508-F568 HydrophobicContact CG-CD2 3.85Å; L508-F568 HydrophobicContact CG-CE2 3.8Å
509K94.8Very high92.6Very high106 Ų10639.4 Ų39.446%0.46120%0.198SC..EExtended strand (participates in β ladder)trans-94.7134.1173.8-179.8-178.2179.1-177.50109.7W511 G526 E527 L529K509-W511 PolarHBondContact O-N 3.43Å; K509-G526 CarbonylContact O-C 2.79Å; K509-G526 WeakPolarHBondContact O-CA 3.33Å; K509-E527 HydrophobicContact CB-CB 4.25Å; K509-E527 PolarHBondContact N-O 2.96Å; K509-E527 PolarHBondContact O-N 3.22Å; K509-L529 HydrophobicContact CB-CD1 3.91Å; K509-L529 HydrophobicContact CB-CD2 4.33Å; K509-L529 HydrophobicContact CB-CG 4.04Å; K509-L529 HydrophobicContact CD-CD1 4.37Å; K509-L529 HydrophobicContact CD-CD2 4.5Å
510N94.5Very high92.3Very high60 Ų6040.8 Ų40.832%0.32121%0.206SC..  trans-58.1140.4177.3-65.4-13.4000111F517 N518N510-F517 HydrophobicContact CB-CD1 4.22Å; N510-F517 WeakPolarHBondContact OD1-CA 3.42Å; N510-N518 PolarHBondContact OD1-N 3.34Å; N510-N518 PolarHBondContact OD1-OD1 2.84Å; N510-N518 VanDerWaalsContact OD1-OD1 3.11Å
511W92.8Very high91.8Very high29 Ų2949.6 Ų49.611%0.1124%0.244CC..BIsolated β-bridgetrans-124.788.5170.5-176.637.3000108.6K509 E513 G514 G515 Y516 I565 K580 L583 Y591K509-W511 PolarHBondContact O-N 3.43Å; W511-E513 VanDerWaalsContact C-N 3.33Å; W511-E513 PolarHBondContact NE1-OE2 3.49Å; W511-E513 PolarHBondContact O-N 3.08Å; W511-G514 PolarHBondContact O-N 2.91Å; W511-G514 VanDerWaalsContact O-N 3.14Å; W511-G515 PolarHBondContact O-N 3.5Å; W511-G515 VanDerWaalsContact O-N 3.08Å; W511-Y516 AromaticContact CE3-CD2 3.58Å; W511-Y516 HydrophobicContact CE3-CD2 3.58Å; W511-Y516 AromaticContact CE3-CE2 4Å; W511-Y516 HydrophobicContact CE3-CE2 4Å; W511-Y516 AromaticContact CZ3-CD2 3.94Å; W511-Y516 HydrophobicContact CZ3-CD2 3.94Å; W511-Y516 AromaticContact CZ3-CE2 3.86Å; W511-Y516 HydrophobicContact CZ3-CE2 3.86Å; W511-Y516 PolarHBondContact N-O 2.98Å; W511-Y516 PolarHBondContact O-N 3.17Å; W511-I565 HydrophobicContact CB-CD1 4.4Å; W511-I565 HydrophobicContact CD2-CD1 4.27Å; W511-I565 HydrophobicContact CE3-CD1 3.63Å; W511-I565 HydrophobicContact CE3-CG1 3.91Å; W511-I565 HydrophobicContact CZ3-CD1 4.34Å; W511-I565 HydrophobicContact CZ3-CG1 4.14Å; W511-K580 HydrophobicContact CD2-CD 4.34Å; W511-K580 HydrophobicContact CD2-CG 4.26Å; W511-K580 HydrophobicContact CE3-CG 4.19Å; W511-K580 HydrophobicContact CH2-CB 4.5Å; W511-K580 HydrophobicContact CH2-CG 4.45Å; W511-K580 HydrophobicContact CZ2-CG 4.49Å; W511-K580 HydrophobicContact CZ3-CG 4.31Å; W511-L583 HydrophobicContact CH2-CB 4.37Å; W511-L583 HydrophobicContact CH2-CD1 4.36Å; W511-L583 HydrophobicContact CZ3-CB 4.45Å; W511-L583 HydrophobicContact CZ3-CD1 3.66Å; W511-Y591 HydrophobicContact CH2-CE1 4.35Å
512E87.9Confident91.4Very high152 Ų15254.9 Ų54.971%0.7128%0.278SS*.G310 helixtrans-59.6-41.6-172.6-60.2-176.2174.500112.2G514 G515 F517E512-G514 PolarHBondContact O-N 3.35Å; E512-G515 PolarHBondContact O-N 2.93Å; E512-G515 VanDerWaalsContact O-N 3.08Å; E512-F517 HydrophobicContact CG-CE1 4.14Å
513E82.3Confident91.1Very high152 Ų15256.7 Ų56.771%0.7129%0.286SS*.G310 helixtrans-58.5-38178.3-56.3167.5155.400111.9W511 Y591W511-E513 VanDerWaalsContact C-N 3.33Å; W511-E513 PolarHBondContact NE1-OE2 3.49Å; W511-E513 PolarHBondContact O-N 3.08Å; E513-Y591 PolarHBondContact O-OH 3.45Å
514G79Confident91Very high5 Ų557.9 Ų57.95%0.05229%0.293CS..G310 helixtrans-85.9-9.6178.600000114.7W511 E512 Y516W511-G514 PolarHBondContact O-N 2.91Å; W511-G514 VanDerWaalsContact O-N 3.14Å; E512-G514 PolarHBondContact O-N 3.35Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 WeakPolarHBondContact O-CD2 3.26Å; G514-Y516 VanDerWaalsContact O-CE2 3.25Å; G514-Y516 WeakPolarHBondContact O-CE2 3.27Å
515G84.9Confident90.9Very high31 Ų3161.3 Ų61.332%0.3231%0.307SS..THydrogen-bonded Turntrans67.332-17500000113.9W511 E512 R525W511-G515 PolarHBondContact O-N 3.5Å; W511-G515 VanDerWaalsContact O-N 3.08Å; E512-G515 PolarHBondContact O-N 2.93Å; E512-G515 VanDerWaalsContact O-N 3.08Å; G515-R525 PolarHBondContact O-NH2 3.28Å
516Y90.3Very high90.8Very high21 Ų2160.8 Ų60.88%0.08230%0.304CS..BIsolated β-bridgetrans-109.8120.6176.7-63.4-84.1000110.4W511 G514 R525 I565 I577 L583W511-Y516 AromaticContact CE3-CD2 3.58Å; W511-Y516 HydrophobicContact CE3-CD2 3.58Å; W511-Y516 AromaticContact CE3-CE2 4Å; W511-Y516 HydrophobicContact CE3-CE2 4Å; W511-Y516 AromaticContact CZ3-CD2 3.94Å; W511-Y516 HydrophobicContact CZ3-CD2 3.94Å; W511-Y516 AromaticContact CZ3-CE2 3.86Å; W511-Y516 HydrophobicContact CZ3-CE2 3.86Å; W511-Y516 PolarHBondContact N-O 2.98Å; W511-Y516 PolarHBondContact O-N 3.17Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 WeakPolarHBondContact O-CD2 3.26Å; G514-Y516 VanDerWaalsContact O-CE2 3.25Å; G514-Y516 WeakPolarHBondContact O-CE2 3.27Å; Y516-R525 HydrophobicContact CD1-CB 3.89Å; Y516-I565 HydrophobicContact CD1-CG2 3.92Å; Y516-I565 HydrophobicContact CD2-CG2 4.3Å; Y516-I565 HydrophobicContact CE1-CG2 4.14Å; Y516-I565 HydrophobicContact CG-CG2 3.99Å; Y516-I577 HydrophobicContact CD1-CD1 4.22Å; Y516-I577 HydrophobicContact CE1-CD1 3.81Å; Y516-L583 HydrophobicContact CE2-CD1 4.06Å
517F90.9Very high90.7Very high69 Ų6961.4 Ų61.430%0.30331%0.307SS..  trans-127.5141.7-176.5-54.2-88000111.9N510 E512 T519 D520 R525N510-F517 HydrophobicContact CB-CD1 4.22Å; N510-F517 WeakPolarHBondContact OD1-CA 3.42Å; E512-F517 HydrophobicContact CG-CE1 4.14Å; F517-T519 PolarHBondContact O-N 3.32Å; F517-D520 PolarHBondContact N-OD2 2.85Å; F517-D520 WeakPolarHBondContact O-CB 3.28Å; F517-D520 PolarHBondContact O-N 3.05Å; F517-R525 CarbonylContact C-O 3.53Å; F517-R525 PolarHBondContact N-O 2.82Å; F517-R525 PolarHBondContact O-N 2.94Å
518N90.8Very high90.8Very high27 Ų2758.9 Ų58.914%0.14430%0.296CS..THydrogen-bonded Turntrans-66.7-7.3176.666.70.2000112.9P64 L508 N510 P524 R525P64-N518 PolarHBondContact O-ND2 2.84Å; L508-N518 HydrophobicContact CB-CB 4.19Å; N510-N518 PolarHBondContact OD1-N 3.34Å; N510-N518 PolarHBondContact OD1-OD1 2.84Å; N510-N518 VanDerWaalsContact OD1-OD1 3.11Å; N518-P524 WeakPolarHBondContact O-CB 3.48Å; N518-R525 WeakPolarHBondContact CA-O 3.43Å; N518-R525 PolarHBondContact N-O 3.41Å
519T90.9Very high90.9Very high83 Ų8358.6 Ų58.651%0.50930%0.295SS..THydrogen-bonded Turntrans-99.7-1.9173.850.60000113.6P64 F517P64-T519 HydrophobicContact CB-CG2 4.15Å; F517-T519 PolarHBondContact O-N 3.32Å
520D88.8Confident91.1Very high29 Ų2953.6 Ų53.616%0.15527%0.273CS..  trans-54.5148.8179.9-77.3-19.6000112.2F517 H523 R525F517-D520 PolarHBondContact N-OD2 2.85Å; F517-D520 WeakPolarHBondContact O-CB 3.28Å; F517-D520 PolarHBondContact O-N 3.05Å; D520-H523 CarbonylContact C-O 3.51Å; D520-H523 WeakPolarHBondContact CB-O 3.27Å; D520-H523 CarbonylContact O-C 3.6Å; D520-H523 VanDerWaalsContact O-C 3.24Å; D520-H523 VanDerWaalsContact O-O 3.12Å; D520-R525 HydrophobicContact CB-CG 4.49Å; D520-R525 IonicContact OD2-CZ 3.41Å; D520-R525 IonicContact OD2-NE 3.71Å; D520-R525 PolarHBondContact OD2-NE 3.03Å; D520-R525 IonicContact OD2-NH2 2.72Å; D520-R525 PolarHBondContact OD2-NH2 2.67Å
521K87.3Confident91.2Very high185 Ų18550.7 Ų50.780%0.80426%0.257SS*.SBendtrans-121.8142.9176.5-62.1-61.8-179.5-170.30109.9
522P88.4Confident91.4Very high111 Ų11149.4 Ų49.472%0.72125%0.253SS*.SBendcis-74.8-21.56.330.7-35.8000114.3
523H92.1Very high91.8Very high48 Ų4846.3 Ų46.322%0.22224%0.239CC..SBendtrans-123140.8-173.5-51.7155.3000110.9D520 E567 F568D520-H523 CarbonylContact C-O 3.51Å; D520-H523 WeakPolarHBondContact CB-O 3.27Å; D520-H523 CarbonylContact O-C 3.6Å; D520-H523 VanDerWaalsContact O-C 3.24Å; D520-H523 VanDerWaalsContact O-O 3.12Å; H523-E567 HydrophobicContact CB-CG 3.47Å; H523-E567 VanDerWaalsContact CB-CG 3.47Å; H523-E567 IonicContact CE1-OE1 3.33Å; H523-E567 IonicContact CG-OE1 2.68Å; H523-E567 IonicContact ND1-OE1 2.66Å; H523-E567 PolarHBondContact ND1-OE1 2.94Å; H523-F568 WeakPolarHBondContact CB-O 3.38Å
524P93.4Very high92.5Very high26 Ų2639.1 Ų39.117%0.16921%0.205CC..  trans-72138.7178.232.6-36.9000110.6L508 N518 E567 F568L508-P524 HydrophobicContact CD1-CB 4.23Å; L508-P524 HydrophobicContact CD1-CG 4.42Å; L508-P524 VanDerWaalsContact CD1-O 3.3Å; L508-P524 WeakPolarHBondContact CD1-O 3.25Å; N518-P524 WeakPolarHBondContact O-CB 3.48Å; P524-E567 WeakPolarHBondContact O-CA 3.46Å; P524-F568 HydrophobicContact CG-CB 4.05Å; P524-F568 PolarHBondContact O-N 3.39Å
525R94.3Very high93.4Very high73 Ų7339.1 Ų39.128%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-129.6158-177.3-57.1179.4-58166.48111.7G515 Y516 F517 N518 D520 G566 E567 I577G515-R525 PolarHBondContact O-NH2 3.28Å; Y516-R525 HydrophobicContact CD1-CB 3.89Å; F517-R525 CarbonylContact C-O 3.53Å; F517-R525 PolarHBondContact N-O 2.82Å; F517-R525 PolarHBondContact O-N 2.94Å; N518-R525 WeakPolarHBondContact CA-O 3.43Å; N518-R525 PolarHBondContact N-O 3.41Å; D520-R525 HydrophobicContact CB-CG 4.49Å; D520-R525 IonicContact OD2-CZ 3.41Å; D520-R525 IonicContact OD2-NE 3.71Å; D520-R525 PolarHBondContact OD2-NE 3.03Å; D520-R525 IonicContact OD2-NH2 2.72Å; D520-R525 PolarHBondContact OD2-NH2 2.67Å; R525-G566 CarbonylContact C-O 3.6Å; R525-G566 VanDerWaalsContact CA-O 3.27Å; R525-G566 WeakPolarHBondContact CA-O 3.45Å; R525-E567 WeakPolarHBondContact CD-OE2 3.49Å; R525-E567 HydrophobicContact CG-CB 4.05Å; R525-E567 HydrophobicContact CG-CG 3.91Å; R525-I577 HydrophobicContact CG-CD1 4.31Å
526G94.8Very high94.1Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans161.9-17717500000113K509 I528 I565 G566K509-G526 CarbonylContact O-C 2.79Å; K509-G526 WeakPolarHBondContact O-CA 3.33Å; G526-I528 PolarHBondContact O-N 3.44Å; G526-I565 CarbonylContact O-C 3.57Å; G526-I565 WeakPolarHBondContact O-CA 3.34Å; G526-G566 PolarHBondContact N-O 3.46Å; G526-G566 PolarHBondContact O-N 3.3Å
527E96.3Very high94.3Very high14 Ų1440 Ų407%0.06520%0.201CC..EExtended strand (participates in β ladder)trans-65.2128.2170.1177.1173.9-132.200110.7L508 K509 L529 G563 D564 I565 K580L508-E527 CarbonylContact C-O 3.53Å; L508-E527 WeakPolarHBondContact CA-O 3.29Å; K509-E527 HydrophobicContact CB-CB 4.25Å; K509-E527 PolarHBondContact N-O 2.96Å; K509-E527 PolarHBondContact O-N 3.22Å; E527-L529 HydrophobicContact CG-CD2 4.15Å; E527-L529 PolarHBondContact O-N 3.23Å; E527-G563 PolarHBondContact OE1-N 3.19Å; E527-D564 WeakPolarHBondContact CA-O 3.28Å; E527-I565 HydrophobicContact CB-CD1 4.13Å; E527-K580 VanDerWaalsContact CD-CE 3.46Å; E527-K580 WeakPolarHBondContact OE1-CE 3.25Å; E527-K580 IonicContact OE1-NZ 3.14Å; E527-K580 PolarHBondContact OE1-NZ 3.08Å; E527-K580 IonicContact OE2-NZ 3.65Å; E527-K580 PolarHBondContact OE2-NZ 3.25Å
528I97.6Very high94.6Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-73.6123.5177.3-59.9157.9000108.4Y475 I506 L508 G526 I530 T562 D564 L574 I576Y475-I528 HydrophobicContact CE1-CD1 4.23Å; Y475-I528 HydrophobicContact CE1-CG2 4.03Å; I506-I528 HydrophobicContact CG2-CG2 3.75Å; L508-I528 HydrophobicContact CD2-CG1 4.1Å; G526-I528 PolarHBondContact O-N 3.44Å; I528-I530 HydrophobicContact CG2-CG1 4.23Å; I528-T562 HydrophobicContact CB-CG2 4.44Å; I528-T562 HydrophobicContact CG2-CG2 4.23Å; I528-T562 WeakPolarHBondContact O-CB 3.32Å; I528-T562 VanDerWaalsContact O-CG2 3.25Å; I528-T562 WeakPolarHBondContact O-CG2 3.46Å; I528-T562 PolarHBondContact O-N 2.91Å; I528-T562 PolarHBondContact O-OG1 2.87Å; I528-D564 HydrophobicContact CD1-CB 4.2Å; I528-D564 PolarHBondContact N-O 2.67Å; I528-L574 HydrophobicContact CD1-CD1 4.42Å; I528-L574 HydrophobicContact CD1-CD2 3.98Å; I528-L574 HydrophobicContact CG1-CD1 4.32Å; I528-L574 HydrophobicContact CG1-CD2 4.34Å; I528-L574 HydrophobicContact CG2-CD2 4.31Å; I528-I576 HydrophobicContact CD1-CD1 3.43Å; I528-I576 VanDerWaalsContact CD1-CD1 3.43Å
529L97.6Very high94.8Very high10 Ų1036.2 Ų36.25%0.05218%0.183CC..EExtended strand (participates in β ladder)trans-110131.7167.8-51.6-175.7000109.3I506 K507 K509 E527 F551 W559 L560 C561I506-L529 CarbonylContact C-O 3.58Å; I506-L529 VanDerWaalsContact CA-O 3.25Å; I506-L529 WeakPolarHBondContact CA-O 3.29Å; K507-L529 HydrophobicContact CB-CB 4.2Å; K507-L529 HydrophobicContact CB-CD1 4.45Å; K507-L529 PolarHBondContact N-O 3.36Å; K507-L529 PolarHBondContact O-N 3.09Å; K509-L529 HydrophobicContact CB-CD1 3.91Å; K509-L529 HydrophobicContact CB-CD2 4.33Å; K509-L529 HydrophobicContact CB-CG 4.04Å; K509-L529 HydrophobicContact CD-CD1 4.37Å; K509-L529 HydrophobicContact CD-CD2 4.5Å; E527-L529 HydrophobicContact CG-CD2 4.15Å; E527-L529 PolarHBondContact O-N 3.23Å; L529-F551 HydrophobicContact CD1-CE1 4.18Å; L529-F551 HydrophobicContact CD1-CZ 4.05Å; L529-W559 HydrophobicContact CB-CE3 3.91Å; L529-W559 HydrophobicContact CB-CZ3 4.43Å; L529-L560 VanDerWaalsContact CA-O 3.25Å; L529-L560 WeakPolarHBondContact CA-O 3.22Å; L529-C561 HydrophobicContact CD2-CB 4.05Å
530I98.3Very high95.1Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-108.8126.2176.5-57.6176.5000108.8Y475 L477 C504 I506 I528 V535 W559 L560 T562Y475-I530 HydrophobicContact CE1-CD1 4.02Å; L477-I530 HydrophobicContact CD1-CD1 4.22Å; C504-I530 HydrophobicContact CB-CG2 4.16Å; I506-I530 HydrophobicContact CG1-CG1 4.39Å; I528-I530 HydrophobicContact CG2-CG1 4.23Å; I530-V535 HydrophobicContact CG2-CG2 4.31Å; I530-V535 WeakPolarHBondContact O-CG2 3.35Å; I530-W559 CarbonylContact O-C 3.51Å; I530-W559 WeakPolarHBondContact O-CA 3.07Å; I530-L560 PolarHBondContact N-O 3.39Å; I530-L560 PolarHBondContact O-N 3.3Å; I530-T562 HydrophobicContact CD1-CG2 3.91Å; I530-T562 HydrophobicContact CG1-CG2 3.9Å
531G97.4Very high95.4Very high0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-116.8149.9172.700000110.7C504 E505 R558C504-G531 CarbonylContact C-O 3.57Å; C504-G531 WeakPolarHBondContact CA-O 3.46Å; C504-G531 VanDerWaalsContact CB-O 3.24Å; C504-G531 WeakPolarHBondContact CB-O 3.47Å; E505-G531 PolarHBondContact N-O 3.39Å; E505-G531 PolarHBondContact O-N 3.45Å; G531-R558 WeakPolarHBondContact CA-O 3.4Å
532G96.3Very high95.7Very high2 Ų231.9 Ų31.92%0.02116%0.158CC..EExtended strand (participates in β ladder)trans142.5174177.200000112.5N534 V535G532-N534 PolarHBondContact O-N 2.87Å; G532-V535 WeakPolarHBondContact O-CB 3.48Å; G532-V535 WeakPolarHBondContact O-CG2 3.48Å; G532-V535 PolarHBondContact O-N 2.82Å; G532-V535 VanDerWaalsContact O-N 3.14Å
533Q96.3Very high96Very high87 Ų8733.2 Ų33.241%0.40715%0.154SC..THydrogen-bonded Turntrans-70.2-13.2179.9-169.616313.500112.8N303 A306 V535N303-Q533 WeakPolarHBondContact CA-O 3.48Å; N303-Q533 PolarHBondContact ND2-O 3.47Å; A306-Q533 HydrophobicContact CB-CB 3.93Å; A306-Q533 HydrophobicContact CB-CG 4.25Å; Q533-V535 VanDerWaalsContact C-N 3.27Å; Q533-V535 PolarHBondContact O-N 3.45Å
534N97.4Very high96.1Very high0 Ų034.8 Ų34.80%018%0.175CC..THydrogen-bonded Turntrans-74.1-14171.866.3-58.7000113.7A306 S480 A481 A483 C503 C504 G532 T536A306-N534 HydrophobicContact CB-CB 4.29Å; S480-N534 CarbonylContact C-O 3.56Å; S480-N534 WeakPolarHBondContact CA-O 3.49Å; S480-N534 PolarHBondContact O-ND2 3.4Å; S480-N534 VanDerWaalsContact O-ND2 3.09Å; A481-N534 PolarHBondContact N-O 3.44Å; A483-N534 HydrophobicContact CB-CB 4.09Å; A483-N534 PolarHBondContact O-ND2 2.86Å; A483-N534 VanDerWaalsContact O-ND2 3.1Å; C503-N534 PolarHBondContact O-OD1 3.26Å; C504-N534 VanDerWaalsContact CB-OD1 3.31Å; C504-N534 WeakPolarHBondContact CB-OD1 3.33Å; G532-N534 PolarHBondContact O-N 2.87Å; N534-T536 PolarHBondContact O-N 3.34Å
535V98.3Very high95.9Very high5 Ų536.2 Ų36.23%0.0318%0.179CC..SBendtrans-70.2122.8178.71800000110.2N303 I530 G532 Q533 F550 R558 L560N303-V535 PolarHBondContact ND2-O 3.07Å; I530-V535 HydrophobicContact CG2-CG2 4.31Å; I530-V535 WeakPolarHBondContact O-CG2 3.35Å; G532-V535 WeakPolarHBondContact O-CB 3.48Å; G532-V535 WeakPolarHBondContact O-CG2 3.48Å; G532-V535 PolarHBondContact O-N 2.82Å; G532-V535 VanDerWaalsContact O-N 3.14Å; Q533-V535 VanDerWaalsContact C-N 3.27Å; Q533-V535 PolarHBondContact O-N 3.45Å; V535-F550 HydrophobicContact CG1-CD1 3.73Å; V535-F550 HydrophobicContact CG1-CE1 3.78Å; V535-R558 HydrophobicContact CG1-CB 4.46Å; V535-R558 HydrophobicContact CG1-CG 3.9Å; V535-L560 HydrophobicContact CG1-CB 4.04Å
536T97.8Very high95.9Very high0 Ų033.9 Ų33.90%017%0.173CC..  trans-71.5169.4-170.461.80000114.1V297 M298 I299 T478 E479 N534 G538 F550 R558V297-T536 HydrophobicContact CG1-CG2 3.91Å; V297-T536 WeakPolarHBondContact CG1-OG1 3.39Å; M298-T536 WeakPolarHBondContact O-CB 3.32Å; I299-T536 HydrophobicContact CB-CG2 4.34Å; I299-T536 HydrophobicContact CG1-CG2 3.86Å; I299-T536 HydrophobicContact CG2-CG2 4.16Å; T478-T536 WeakPolarHBondContact O-CG2 3.46Å; E479-T536 VanDerWaalsContact C-CG2 3.47Å; E479-T536 WeakPolarHBondContact CA-OG1 3.48Å; E479-T536 WeakPolarHBondContact O-CB 3.22Å; E479-T536 VanDerWaalsContact O-CG2 3.22Å; E479-T536 WeakPolarHBondContact O-CG2 3.41Å; E479-T536 PolarHBondContact O-N 3.49Å; E479-T536 PolarHBondContact O-OG1 3.04Å; N534-T536 PolarHBondContact O-N 3.34Å; T536-G538 PolarHBondContact O-N 3.14Å; T536-F550 WeakPolarHBondContact OG1-CZ 2.94Å; T536-R558 PolarHBondContact O-NE 3.34Å; T536-R558 VanDerWaalsContact O-NE 3.08Å; T536-R558 PolarHBondContact O-NH1 3.43Å; T536-R558 PolarHBondContact O-NH2 3.49Å
537M95.9Very high96Very high70 Ų7041.2 Ų41.235%0.34521%0.205SC..  trans-74-9.5-175.8-59.2-1787400114I281 M298 R558I281-M537 HydrophobicContact CG1-SD 3.82Å; M298-M537 HydrophobicContact CB-CB 3.95Å; M298-M537 HydrophobicContact CE-CB 4.36Å; M298-M537 WeakPolarHBondContact O-CB 3.45Å; M298-M537 PolarHBondContact O-N 3.29Å; M537-R558 VanDerWaalsContact C-CZ 3.46Å; M537-R558 VanDerWaalsContact CA-NH1 3.27Å; M537-R558 PolarHBondContact O-NH1 3.25Å; M537-R558 VanDerWaalsContact O-NH1 3.1Å; M537-R558 PolarHBondContact O-NH2 3.44Å
538G96.1Very high95.8Very high0 Ų043.6 Ų43.60%023%0.227CC..  trans112.8-156.1-177.700000112.3M298 T536M298-G538 PolarHBondContact N-O 3.07Å; T536-G538 PolarHBondContact O-N 3.14Å
539Y96.5Very high95.7Very high17 Ų1744.6 Ų44.67%0.06723%0.232CC..BIsolated β-bridgetrans-102.9134.6-176.9-55.3-76.8000111.6K295 G296 V297 E479 K541 N542 K545 T546 D549 F550K295-Y539 HydrophobicContact CB-CD1 4.28Å; G296-Y539 CarbonylContact O-C 3.53Å; G296-Y539 WeakPolarHBondContact O-CA 3.48Å; V297-Y539 HydrophobicContact CG2-CD1 4.05Å; V297-Y539 HydrophobicContact CG2-CE1 4.01Å; E479-Y539 HydrophobicContact CG-CE1 4.14Å; E479-Y539 PolarHBondContact OE1-OH 2.88Å; Y539-K541 PolarHBondContact O-N 3.36Å; Y539-N542 PolarHBondContact O-N 2.67Å; Y539-K545 HydrophobicContact CD2-CB 3.89Å; Y539-K545 HydrophobicContact CD2-CG 3.72Å; Y539-K545 HydrophobicContact CE2-CB 4.17Å; Y539-K545 HydrophobicContact CE2-CG 3.52Å; Y539-T546 PolarHBondContact N-OG1 3.13Å; Y539-D549 HydrophobicContact CE2-CB 4.15Å; Y539-D549 VanDerWaalsContact CE2-OD2 3.28Å; Y539-D549 WeakPolarHBondContact CE2-OD2 3.24Å; Y539-D549 PolarHBondContact OH-OD2 3.27Å; Y539-F550 HydrophobicContact CD2-CE2 4.33Å; Y539-F550 HydrophobicContact CE2-CD2 4.47Å; Y539-F550 AromaticContact CE2-CE2 3.83Å; Y539-F550 HydrophobicContact CE2-CE2 3.83Å
540Y96.3Very high95.7Very high36 Ų3644.7 Ų44.714%0.14123%0.232CC..THydrogen-bonded Turntrans-59.5125.9180-167.9-102.1000110.6N161 E204 T205 I284 G296 M298 N542N161-Y540 PolarHBondContact ND2-OH 2.89Å; E204-Y540 HydrophobicContact CG-CD1 4.23Å; E204-Y540 WeakPolarHBondContact O-CE1 3.4Å; T205-Y540 HydrophobicContact CG2-CD1 4.14Å; T205-Y540 HydrophobicContact CG2-CE1 4.02Å; I284-Y540 HydrophobicContact CD1-CD2 3.55Å; I284-Y540 HydrophobicContact CD1-CE2 3.55Å; I284-Y540 HydrophobicContact CD1-CG 4.23Å; I284-Y540 HydrophobicContact CG1-CD2 4.26Å; I284-Y540 HydrophobicContact CG2-CD2 4.48Å; I284-Y540 HydrophobicContact CG2-CG 4.24Å; G296-Y540 PolarHBondContact O-N 3.07Å; M298-Y540 HydrophobicContact CG-CD2 3.98Å; M298-Y540 HydrophobicContact CG-CG 4.49Å; M298-Y540 HydrophobicContact SD-CD2 3.79Å; Y540-N542 PolarHBondContact O-N 3.19Å
541K95.3Very high95.6Very high117 Ų11748.8 Ų48.851%0.50925%0.25SS..THydrogen-bonded Turntrans50.226.3-177.8-65.1179.1175.2176.40114.8E204 E206 Y539E204-K541 HydrophobicContact CG-CD 4.39Å; E204-K541 PolarHBondContact O-NZ 2.82Å; E206-K541 IonicContact OE1-NZ 3.84Å; E206-K541 PolarHBondContact OE1-NZ 3.21Å; Y539-K541 PolarHBondContact O-N 3.36Å
542N93.4Very high95.5Very high54 Ų5455.1 Ų55.129%0.28928%0.28SS..  trans-135.572.7-179-166.2-22000112Y539 Y540 A544 K545 T546Y539-N542 PolarHBondContact O-N 2.67Å; Y540-N542 PolarHBondContact O-N 3.19Å; N542-A544 PolarHBondContact O-N 3.36Å; N542-K545 WeakPolarHBondContact OD1-CB 3.47Å; N542-K545 PolarHBondContact OD1-N 3.03Å; N542-K545 VanDerWaalsContact OD1-N 3.09Å; N542-T546 WeakPolarHBondContact O-CB 3.33Å; N542-T546 PolarHBondContact O-N 2.78Å; N542-T546 PolarHBondContact O-OG1 3.27Å
543E94.6Very high95.3Very high138 Ų13856.7 Ų56.765%0.64529%0.288SS*.Hα-helixtrans-64.2-38.8-178.9-66.3-174.9-170.300113.1K545 T546 K547E543-K545 VanDerWaalsContact C-N 3.35Å; E543-K545 PolarHBondContact O-N 2.92Å; E543-T546 WeakPolarHBondContact O-CB 3.49Å; E543-T546 PolarHBondContact O-N 3.44Å; E543-T546 VanDerWaalsContact O-N 3.16Å; E543-K547 WeakPolarHBondContact O-CG 3.34Å; E543-K547 PolarHBondContact O-N 3.13Å
544A93.4Very high95Very high81 Ų8162.2 Ų62.267%0.66931%0.313SS*.Hα-helixtrans-60.4-45.8-179.100000111.3N542 T546 A548N542-A544 PolarHBondContact O-N 3.36Å; A544-T546 VanDerWaalsContact C-N 3.35Å; A544-A548 PolarHBondContact O-N 3.41Å
545K91Very high94.5Very high57 Ų5769.2 Ų69.225%0.24835%0.351CS..Hα-helixtrans-71.2-33.4176.5-167.160.9179133.80111.9Y539 N542 E543 A548 D549Y539-K545 HydrophobicContact CD2-CB 3.89Å; Y539-K545 HydrophobicContact CD2-CG 3.72Å; Y539-K545 HydrophobicContact CE2-CB 4.17Å; Y539-K545 HydrophobicContact CE2-CG 3.52Å; N542-K545 WeakPolarHBondContact OD1-CB 3.47Å; N542-K545 PolarHBondContact OD1-N 3.03Å; N542-K545 VanDerWaalsContact OD1-N 3.09Å; E543-K545 VanDerWaalsContact C-N 3.35Å; E543-K545 PolarHBondContact O-N 2.92Å; K545-A548 PolarHBondContact O-N 3Å; K545-D549 WeakPolarHBondContact CE-OD2 3.17Å; K545-D549 IonicContact NZ-OD1 3.6Å; K545-D549 PolarHBondContact NZ-OD1 3.39Å; K545-D549 IonicContact NZ-OD2 3.44Å; K545-D549 PolarHBondContact NZ-OD2 3.04Å; K545-D549 PolarHBondContact O-N 2.81Å; K545-D549 VanDerWaalsContact O-N 3.13Å
546T94.5Very high94.2Very high23 Ų2371.4 Ų71.414%0.14137%0.374CS..Hα-helixtrans-61.9-47.4176.1-60.30000111.4Y539 N542 E543 A544 A548 D549 F550Y539-T546 PolarHBondContact N-OG1 3.13Å; N542-T546 WeakPolarHBondContact O-CB 3.33Å; N542-T546 PolarHBondContact O-N 2.78Å; N542-T546 PolarHBondContact O-OG1 3.27Å; E543-T546 WeakPolarHBondContact O-CB 3.49Å; E543-T546 PolarHBondContact O-N 3.44Å; E543-T546 VanDerWaalsContact O-N 3.16Å; A544-T546 VanDerWaalsContact C-N 3.35Å; T546-A548 PolarHBondContact O-N 3.19Å; T546-D549 PolarHBondContact O-N 3.07Å; T546-F550 HydrophobicContact CG2-CD2 4.22Å; T546-F550 WeakPolarHBondContact O-CB 3.42Å; T546-F550 WeakPolarHBondContact O-CD2 3.43Å; T546-F550 PolarHBondContact O-N 3.49Å
547K94.9Very high93.9Very high155 Ų15573.7 Ų73.767%0.67439%0.385SS*.Hα-helixtrans-67.5-24177.6-68.7174.8-177.4170.70113.4E543E543-K547 WeakPolarHBondContact O-CG 3.34Å; E543-K547 PolarHBondContact O-N 3.13Å
548A93.1Very high93.9Very high63 Ų6372.8 Ų72.852%0.52138%0.378SS..Hα-helixtrans-77.2-36.5177.100000112.7A544 K545 T546A544-A548 PolarHBondContact O-N 3.41Å; K545-A548 PolarHBondContact O-N 3Å; T546-A548 PolarHBondContact O-N 3.19Å
549D94.9Very high93.9Very high22 Ų2272.8 Ų72.812%0.11838%0.378CS..Hα-helixtrans-102.2-17.1-173-61.4-13.6000113Y539 K545 T546 C561Y539-D549 HydrophobicContact CE2-CB 4.15Å; Y539-D549 VanDerWaalsContact CE2-OD2 3.28Å; Y539-D549 WeakPolarHBondContact CE2-OD2 3.24Å; Y539-D549 PolarHBondContact OH-OD2 3.27Å; K545-D549 WeakPolarHBondContact CE-OD2 3.17Å; K545-D549 IonicContact NZ-OD1 3.6Å; K545-D549 PolarHBondContact NZ-OD1 3.39Å; K545-D549 IonicContact NZ-OD2 3.44Å; K545-D549 PolarHBondContact NZ-OD2 3.04Å; K545-D549 PolarHBondContact O-N 2.81Å; K545-D549 VanDerWaalsContact O-N 3.13Å; T546-D549 PolarHBondContact O-N 3.07Å; D549-C561 WeakPolarHBondContact O-CB 3.26Å; D549-C561 PolarHBondContact O-N 3.47Å
550F97.3Very high94Very high12 Ų1272.1 Ų72.15%0.05338%0.375CS..EExtended strand (participates in β ladder)trans-127.9144.6-178.9-58.1-98.9000111.4E479 V535 T536 Y539 T546 W559 L560E479-F550 HydrophobicContact CB-CE1 4.34Å; E479-F550 HydrophobicContact CB-CZ 3.78Å; E479-F550 HydrophobicContact CG-CE2 4.49Å; E479-F550 HydrophobicContact CG-CZ 3.95Å; V535-F550 HydrophobicContact CG1-CD1 3.73Å; V535-F550 HydrophobicContact CG1-CE1 3.78Å; T536-F550 WeakPolarHBondContact OG1-CZ 2.94Å; Y539-F550 HydrophobicContact CD2-CE2 4.33Å; Y539-F550 HydrophobicContact CE2-CD2 4.47Å; Y539-F550 AromaticContact CE2-CE2 3.83Å; Y539-F550 HydrophobicContact CE2-CE2 3.83Å; T546-F550 HydrophobicContact CG2-CD2 4.22Å; T546-F550 WeakPolarHBondContact O-CB 3.42Å; T546-F550 WeakPolarHBondContact O-CD2 3.43Å; T546-F550 PolarHBondContact O-N 3.49Å; F550-W559 VanDerWaalsContact CA-O 3.3Å; F550-W559 WeakPolarHBondContact CA-O 3.46Å; F550-L560 HydrophobicContact CD1-CB 4.27Å; F550-L560 HydrophobicContact CD1-CD1 4.12Å; F550-L560 HydrophobicContact CE1-CB 4.22Å; F550-L560 HydrophobicContact CE1-CD1 3.72Å; F550-L560 HydrophobicContact CE1-CG 4.45Å; F550-L560 HydrophobicContact CE2-CD1 4.25Å; F550-L560 HydrophobicContact CZ-CD1 3.8Å
551F96.1Very high94Very high86 Ų8671.3 Ų71.338%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-146162.9171.169.1-84.5000110.5L529 R558 W559L529-F551 HydrophobicContact CD1-CE1 4.18Å; L529-F551 HydrophobicContact CD1-CZ 4.05Å; F551-R558 WeakPolarHBondContact O-CA 3.47Å; F551-W559 HydrophobicContact CD1-CB 3.97Å; F551-W559 HydrophobicContact CD2-CB 4.29Å; F551-W559 HydrophobicContact CE1-CB 3.49Å; F551-W559 VanDerWaalsContact CE1-CB 3.49Å; F551-W559 HydrophobicContact CE1-CG 4.29Å; F551-W559 HydrophobicContact CE2-CB 3.85Å; F551-W559 AromaticContact CE2-CD1 3.77Å; F551-W559 AromaticContact CE2-CG 3.92Å; F551-W559 HydrophobicContact CE2-CG 3.92Å; F551-W559 HydrophobicContact CG-CB 4.35Å; F551-W559 HydrophobicContact CZ-CB 3.42Å; F551-W559 VanDerWaalsContact CZ-CB 3.42Å; F551-W559 AromaticContact CZ-CG 3.72Å; F551-W559 HydrophobicContact CZ-CG 3.72Å; F551-W559 PolarHBondContact N-O 3.25Å; F551-W559 VanDerWaalsContact N-O 3.1Å; F551-W559 PolarHBondContact O-N 2.95Å
552E95.4Very high94Very high133 Ų13366.5 Ų66.562%0.62136%0.355SS*.EExtended strand (participates in β ladder)trans-109.7139.7171.4-70178.3179.700108.7Q557 R558E552-Q557 WeakPolarHBondContact CA-O 3.2Å; E552-R558 HydrophobicContact CG-CB 4.21Å; E552-R558 HydrophobicContact CG-CG 4.3Å
553D92.7Very high94Very high35 Ų3565.1 Ų65.119%0.18735%0.353CS..  trans-87178174.273.115.3000112.3N555 G556 Q557 W559D553-N555 PolarHBondContact O-N 3.48Å; D553-N555 VanDerWaalsContact O-N 3.1Å; D553-N555 WeakPolarHBondContact OD1-CA 3.47Å; D553-N555 WeakPolarHBondContact OD1-CB 3.48Å; D553-N555 PolarHBondContact OD1-N 3.03Å; D553-G556 PolarHBondContact O-N 3.26Å; D553-G556 PolarHBondContact OD1-N 3.44Å; D553-Q557 PolarHBondContact N-O 3.1Å; D553-Q557 WeakPolarHBondContact OD1-CB 3.23Å; D553-Q557 PolarHBondContact OD1-N 3.46Å; D553-W559 PolarHBondContact OD2-NE1 3.41Å
554E90.3Very high94Very high202 Ų20259 Ų5994%0.94433%0.326SS*.THydrogen-bonded Turntrans-59.8-20.9-178.5-61.8176.7176.300113.6G556E554-G556 VanDerWaalsContact C-N 3.33Å
555N87.9Confident94.1Very high147 Ų14755.2 Ų55.279%0.78629%0.294SS*.THydrogen-bonded Turntrans-92.54.9177.6-56.6-51.3000112.3D553 Q557D553-N555 PolarHBondContact O-N 3.48Å; D553-N555 VanDerWaalsContact O-N 3.1Å; D553-N555 WeakPolarHBondContact OD1-CA 3.47Å; D553-N555 WeakPolarHBondContact OD1-CB 3.48Å; D553-N555 PolarHBondContact OD1-N 3.03Å; N555-Q557 PolarHBondContact O-N 3.09Å
556G90Very high94.3Very high51 Ų5152.5 Ų52.553%0.52628%0.282SS..SBendtrans73.311.4-175.100000113.7D553 E554 R558D553-G556 PolarHBondContact O-N 3.26Å; D553-G556 PolarHBondContact OD1-N 3.44Å; E554-G556 VanDerWaalsContact C-N 3.33Å; G556-R558 PolarHBondContact O-N 3.39Å
557Q92.3Very high94.3Very high48 Ų4852.8 Ų52.822%0.22428%0.282CS..  trans-76.7125.1174.4176.6607500108.8E552 D553 N555 W559E552-Q557 WeakPolarHBondContact CA-O 3.2Å; D553-Q557 PolarHBondContact N-O 3.1Å; D553-Q557 WeakPolarHBondContact OD1-CB 3.23Å; D553-Q557 PolarHBondContact OD1-N 3.46Å; N555-Q557 PolarHBondContact O-N 3.09Å; Q557-W559 HydrophobicContact CG-CZ2 4.11Å; Q557-W559 PolarHBondContact O-NE1 2.92Å
558R95.2Very high94.3Very high51 Ų5145.5 Ų45.519%0.19225%0.25CS..EExtended strand (participates in β ladder)trans-77.9134.6173.3-167.3173.8178.5154.2-1.5111.4G531 V535 T536 M537 F551 E552 G556G531-R558 WeakPolarHBondContact CA-O 3.4Å; V535-R558 HydrophobicContact CG1-CB 4.46Å; V535-R558 HydrophobicContact CG1-CG 3.9Å; T536-R558 PolarHBondContact O-NE 3.34Å; T536-R558 VanDerWaalsContact O-NE 3.08Å; T536-R558 PolarHBondContact O-NH1 3.43Å; T536-R558 PolarHBondContact O-NH2 3.49Å; M537-R558 VanDerWaalsContact C-CZ 3.46Å; M537-R558 VanDerWaalsContact CA-NH1 3.27Å; M537-R558 PolarHBondContact O-NH1 3.25Å; M537-R558 VanDerWaalsContact O-NH1 3.1Å; M537-R558 PolarHBondContact O-NH2 3.44Å; F551-R558 WeakPolarHBondContact O-CA 3.47Å; E552-R558 HydrophobicContact CG-CB 4.21Å; E552-R558 HydrophobicContact CG-CG 4.3Å; G556-R558 PolarHBondContact O-N 3.39Å
559W97.4Very high94.3Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-121.4141.1179.8-67.689.4000111A67 E505 K507 L529 I530 F550 F551 D553 Q557A67-W559 HydrophobicContact CB-CH2 3.92Å; E505-W559 HydrophobicContact CG-CH2 3.59Å; E505-W559 HydrophobicContact CG-CZ2 4.22Å; E505-W559 HydrophobicContact CG-CZ3 4.26Å; E505-W559 WeakPolarHBondContact OE1-CZ2 3.38Å; K507-W559 HydrophobicContact CB-CZ3 4.08Å; K507-W559 HydrophobicContact CD-CE3 4.21Å; K507-W559 HydrophobicContact CD-CH2 3.41Å; K507-W559 VanDerWaalsContact CD-CH2 3.41Å; K507-W559 HydrophobicContact CD-CZ2 3.81Å; K507-W559 HydrophobicContact CD-CZ3 3.62Å; K507-W559 HydrophobicContact CG-CH2 3.62Å; K507-W559 HydrophobicContact CG-CZ2 4.49Å; K507-W559 HydrophobicContact CG-CZ3 3.64Å; L529-W559 HydrophobicContact CB-CE3 3.91Å; L529-W559 HydrophobicContact CB-CZ3 4.43Å; I530-W559 CarbonylContact O-C 3.51Å; I530-W559 WeakPolarHBondContact O-CA 3.07Å; F550-W559 VanDerWaalsContact CA-O 3.3Å; F550-W559 WeakPolarHBondContact CA-O 3.46Å; F551-W559 HydrophobicContact CD1-CB 3.97Å; F551-W559 HydrophobicContact CD2-CB 4.29Å; F551-W559 HydrophobicContact CE1-CB 3.49Å; F551-W559 VanDerWaalsContact CE1-CB 3.49Å; F551-W559 HydrophobicContact CE1-CG 4.29Å; F551-W559 HydrophobicContact CE2-CB 3.85Å; F551-W559 AromaticContact CE2-CD1 3.77Å; F551-W559 AromaticContact CE2-CG 3.92Å; F551-W559 HydrophobicContact CE2-CG 3.92Å; F551-W559 HydrophobicContact CG-CB 4.35Å; F551-W559 HydrophobicContact CZ-CB 3.42Å; F551-W559 VanDerWaalsContact CZ-CB 3.42Å; F551-W559 AromaticContact CZ-CG 3.72Å; F551-W559 HydrophobicContact CZ-CG 3.72Å; F551-W559 PolarHBondContact N-O 3.25Å; F551-W559 VanDerWaalsContact N-O 3.1Å; F551-W559 PolarHBondContact O-N 2.95Å; D553-W559 PolarHBondContact OD2-NE1 3.41Å; Q557-W559 HydrophobicContact CG-CZ2 4.11Å; Q557-W559 PolarHBondContact O-NE1 2.92Å
560L98.1Very high94.1Very high3 Ų348.3 Ų48.32%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-103.7121.8170.816964.3000109.8L477 E479 L529 I530 V535 F550 T562L477-L560 HydrophobicContact CD1-CD2 4.42Å; E479-L560 HydrophobicContact CB-CD1 3.8Å; E479-L560 HydrophobicContact CB-CD2 3.56Å; E479-L560 HydrophobicContact CB-CG 4.34Å; E479-L560 HydrophobicContact CG-CD1 4.37Å; L529-L560 VanDerWaalsContact CA-O 3.25Å; L529-L560 WeakPolarHBondContact CA-O 3.22Å; I530-L560 PolarHBondContact N-O 3.39Å; I530-L560 PolarHBondContact O-N 3.3Å; V535-L560 HydrophobicContact CG1-CB 4.04Å; F550-L560 HydrophobicContact CD1-CB 4.27Å; F550-L560 HydrophobicContact CD1-CD1 4.12Å; F550-L560 HydrophobicContact CE1-CB 4.22Å; F550-L560 HydrophobicContact CE1-CD1 3.72Å; F550-L560 HydrophobicContact CE1-CG 4.45Å; F550-L560 HydrophobicContact CE2-CD1 4.25Å; F550-L560 HydrophobicContact CZ-CD1 3.8Å; L560-T562 HydrophobicContact CD2-CG2 4.15Å; L560-T562 HydrophobicContact CG-CG2 4.13Å; L560-T562 PolarHBondContact O-N 3.43Å
561C97Very high93.9Very high20 Ų2048.8 Ų48.814%0.13527%0.266CS..EExtended strand (participates in β ladder)trans-77.9102163-62.20000109.1L529 D549 G563L529-C561 HydrophobicContact CD2-CB 4.05Å; D549-C561 WeakPolarHBondContact O-CB 3.26Å; D549-C561 PolarHBondContact O-N 3.47Å; C561-G563 VanDerWaalsContact C-N 3.28Å; C561-G563 PolarHBondContact O-N 3.48Å
562T95.1Very high93.7Very high16 Ų1644.8 Ų44.810%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-71.4-23.5-171.363.80000113.5Y475 L477 I528 I530 L560 D564Y475-T562 WeakPolarHBondContact OH-CB 3.36Å; Y475-T562 PolarHBondContact OH-OG1 3.23Å; L477-T562 HydrophobicContact CD1-CG2 3.79Å; I528-T562 HydrophobicContact CB-CG2 4.44Å; I528-T562 HydrophobicContact CG2-CG2 4.23Å; I528-T562 WeakPolarHBondContact O-CB 3.32Å; I528-T562 VanDerWaalsContact O-CG2 3.25Å; I528-T562 WeakPolarHBondContact O-CG2 3.46Å; I528-T562 PolarHBondContact O-N 2.91Å; I528-T562 PolarHBondContact O-OG1 2.87Å; I530-T562 HydrophobicContact CD1-CG2 3.91Å; I530-T562 HydrophobicContact CG1-CG2 3.9Å; L560-T562 HydrophobicContact CD2-CG2 4.15Å; L560-T562 HydrophobicContact CG-CG2 4.13Å; L560-T562 PolarHBondContact O-N 3.43Å; T562-D564 PolarHBondContact O-N 3.49Å; T562-D564 PolarHBondContact OG1-N 3.04Å; T562-D564 VanDerWaalsContact OG1-N 3.16Å
563G93.2Very high93.7Very high24 Ų2438.4 Ų38.425%0.24722%0.219CC..EExtended strand (participates in β ladder)trans71.68.6-169.800000113.9E527 C561 K580E527-G563 PolarHBondContact OE1-N 3.19Å; C561-G563 VanDerWaalsContact C-N 3.28Å; C561-G563 PolarHBondContact O-N 3.48Å; G563-K580 WeakPolarHBondContact O-CB 3.37Å; G563-K580 WeakPolarHBondContact O-CG 3.24Å; G563-K580 PolarHBondContact O-N 3.04Å
564D94.3Very high93.9Very high11 Ų1136.8 Ų36.86%0.05921%0.21CC..EExtended strand (participates in β ladder)trans-107.2141.7177.7-63.8-33000110Y475 E527 I528 T562 R579Y475-D564 WeakPolarHBondContact OH-CB 3.4Å; Y475-D564 PolarHBondContact OH-OD2 2.94Å; Y475-D564 VanDerWaalsContact OH-OD2 3.1Å; E527-D564 WeakPolarHBondContact CA-O 3.28Å; I528-D564 HydrophobicContact CD1-CB 4.2Å; I528-D564 PolarHBondContact N-O 2.67Å; T562-D564 PolarHBondContact O-N 3.49Å; T562-D564 PolarHBondContact OG1-N 3.04Å; T562-D564 VanDerWaalsContact OG1-N 3.16Å; D564-R579 VanDerWaalsContact OD1-CG 3.27Å; D564-R579 WeakPolarHBondContact OD1-CG 3.25Å; D564-R579 IonicContact OD1-NE 2.9Å
565I94.6Very high94.1Very high0 Ų031.2 Ų31.20%018%0.182CC..EExtended strand (participates in β ladder)trans-96.5132.1178.4-57.6-55.1000109.5W511 Y516 G526 E527 I577 D578 K580 L583W511-I565 HydrophobicContact CB-CD1 4.4Å; W511-I565 HydrophobicContact CD2-CD1 4.27Å; W511-I565 HydrophobicContact CE3-CD1 3.63Å; W511-I565 HydrophobicContact CE3-CG1 3.91Å; W511-I565 HydrophobicContact CZ3-CD1 4.34Å; W511-I565 HydrophobicContact CZ3-CG1 4.14Å; Y516-I565 HydrophobicContact CD1-CG2 3.92Å; Y516-I565 HydrophobicContact CD2-CG2 4.3Å; Y516-I565 HydrophobicContact CE1-CG2 4.14Å; Y516-I565 HydrophobicContact CG-CG2 3.99Å; G526-I565 CarbonylContact O-C 3.57Å; G526-I565 WeakPolarHBondContact O-CA 3.34Å; E527-I565 HydrophobicContact CB-CD1 4.13Å; I565-I577 HydrophobicContact CB-CB 4.33Å; I565-I577 HydrophobicContact CG2-CB 4.11Å; I565-I577 HydrophobicContact CG2-CD1 3.97Å; I565-I577 HydrophobicContact CG2-CG1 4.33Å; I565-I577 PolarHBondContact O-N 3.07Å; I565-D578 PolarHBondContact N-O 2.84Å; I565-K580 HydrophobicContact CD1-CD 4.24Å; I565-K580 HydrophobicContact CD1-CG 3.57Å; I565-K580 HydrophobicContact CG1-CG 3.87Å; I565-L583 HydrophobicContact CB-CD1 4.25Å; I565-L583 HydrophobicContact CG1-CD1 3.74Å
566G95.2Very high94.3Very high0 Ų026.3 Ų26.30%016%0.156CC..EExtended strand (participates in β ladder)trans-130167.9179.900000113.6R525 G526 K575R525-G566 CarbonylContact C-O 3.6Å; R525-G566 VanDerWaalsContact CA-O 3.27Å; R525-G566 WeakPolarHBondContact CA-O 3.45Å; G526-G566 PolarHBondContact N-O 3.46Å; G526-G566 PolarHBondContact O-N 3.3Å; G566-K575 CarbonylContact C-O 3.6Å; G566-K575 WeakPolarHBondContact CA-O 3.34Å
567E94.9Very high94.3Very high30 Ų3025.8 Ų25.814%0.1414%0.14CC..EExtended strand (participates in β ladder)trans-136.5135.6176.6-178.7178120.200108.9H523 P524 R525 K575 I577H523-E567 HydrophobicContact CB-CG 3.47Å; H523-E567 VanDerWaalsContact CB-CG 3.47Å; H523-E567 IonicContact CE1-OE1 3.33Å; H523-E567 IonicContact CG-OE1 2.68Å; H523-E567 IonicContact ND1-OE1 2.66Å; H523-E567 PolarHBondContact ND1-OE1 2.94Å; P524-E567 WeakPolarHBondContact O-CA 3.46Å; R525-E567 WeakPolarHBondContact CD-OE2 3.49Å; R525-E567 HydrophobicContact CG-CB 4.05Å; R525-E567 HydrophobicContact CG-CG 3.91Å; E567-K575 PolarHBondContact N-O 2.84Å; E567-K575 PolarHBondContact O-N 3.5Å; E567-I577 HydrophobicContact CB-CD1 4.28Å; E567-I577 HydrophobicContact CB-CG1 4.42Å
568F95.3Very high93.8Very high2 Ų223.9 Ų23.91%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-95127.2173-79.8-68.2000111.6Y68 I506 L508 H523 P524 C573 L574Y68-F568 HydrophobicContact CD1-CD1 4.09Å; Y68-F568 HydrophobicContact CD1-CD2 4.37Å; Y68-F568 HydrophobicContact CD1-CE1 4.13Å; Y68-F568 HydrophobicContact CD1-CE2 4.41Å; Y68-F568 HydrophobicContact CD1-CG 4.22Å; Y68-F568 HydrophobicContact CD1-CZ 4.3Å; Y68-F568 AromaticContact CD2-CD2 3.78Å; Y68-F568 HydrophobicContact CD2-CD2 3.78Å; Y68-F568 AromaticContact CD2-CE2 3.5Å; Y68-F568 HydrophobicContact CD2-CE2 3.5Å; Y68-F568 VanDerWaalsContact CD2-CE2 3.5Å; Y68-F568 HydrophobicContact CD2-CG 4.43Å; Y68-F568 AromaticContact CD2-CZ 3.93Å; Y68-F568 HydrophobicContact CD2-CZ 3.93Å; Y68-F568 HydrophobicContact CE1-CB 4.34Å; Y68-F568 HydrophobicContact CE1-CD1 4.35Å; Y68-F568 HydrophobicContact CE1-CD2 4.33Å; Y68-F568 HydrophobicContact CE1-CG 4.11Å; Y68-F568 AromaticContact CE2-CD2 3.74Å; Y68-F568 HydrophobicContact CE2-CD2 3.74Å; Y68-F568 AromaticContact CE2-CE2 3.95Å; Y68-F568 HydrophobicContact CE2-CE2 3.95Å; Y68-F568 HydrophobicContact CE2-CG 4.33Å; Y68-F568 HydrophobicContact CG-CD1 4.32Å; Y68-F568 HydrophobicContact CG-CD2 4.11Å; Y68-F568 AromaticContact CG-CE1 3.99Å; Y68-F568 HydrophobicContact CG-CE1 3.99Å; Y68-F568 AromaticContact CG-CE2 3.77Å; Y68-F568 HydrophobicContact CG-CE2 3.77Å; Y68-F568 HydrophobicContact CG-CG 4.38Å; Y68-F568 AromaticContact CG-CZ 3.71Å; Y68-F568 HydrophobicContact CG-CZ 3.71Å; I506-F568 HydrophobicContact CB-CZ 4.01Å; I506-F568 HydrophobicContact CG2-CE2 4.21Å; I506-F568 HydrophobicContact CG2-CZ 3.7Å; L508-F568 HydrophobicContact CD1-CD2 3.58Å; L508-F568 HydrophobicContact CD1-CE2 4.09Å; L508-F568 HydrophobicContact CD2-CD2 4.42Å; L508-F568 HydrophobicContact CD2-CE2 4.19Å; L508-F568 HydrophobicContact CG-CD2 3.85Å; L508-F568 HydrophobicContact CG-CE2 3.8Å; H523-F568 WeakPolarHBondContact CB-O 3.38Å; P524-F568 HydrophobicContact CG-CB 4.05Å; P524-F568 PolarHBondContact O-N 3.39Å; F568-C573 WeakPolarHBondContact CA-O 3.34Å; F568-L574 HydrophobicContact CD1-CB 4.29Å; F568-L574 HydrophobicContact CD1-CD1 4.17Å; F568-L574 HydrophobicContact CE1-CB 3.98Å; F568-L574 HydrophobicContact CE1-CD1 3.95Å; F568-L574 HydrophobicContact CE2-CD1 4.37Å; F568-L574 HydrophobicContact CG-CD1 4.47Å; F568-L574 HydrophobicContact CZ-CD1 4.05Å
569D93.3Very high93.4Very high32 Ų3226.3 Ų26.317%0.17114%0.141CC..  trans-69.8159.2167.1-77.2-24.7000110.8R496 D571 G572 C573R496-D569 WeakPolarHBondContact CD-OD2 3.23Å; R496-D569 IonicContact CZ-OD2 2.76Å; R496-D569 IonicContact NE-OD2 3.39Å; R496-D569 IonicContact NH1-OD2 3.16Å; R496-D569 PolarHBondContact NH1-OD2 2.98Å; D569-D571 VanDerWaalsContact CB-OD1 3.32Å; D569-D571 WeakPolarHBondContact CB-OD1 3.19Å; D569-D571 PolarHBondContact O-N 2.87Å; D569-G572 PolarHBondContact O-N 3.36Å; D569-C573 HydrophobicContact CB-CB 4.3Å; D569-C573 PolarHBondContact N-O 3.44Å
570P91.5Very high92.7Very high111 Ų11128.5 Ų28.572%0.72115%0.151SC*.THydrogen-bonded Turntrans-58.3-21.7178.3-26.135.1000115.5G572P570-G572 VanDerWaalsContact C-N 3.31Å
571D92.3Very high91.9Very high23 Ų2335.4 Ų35.412%0.12318%0.181CC..THydrogen-bonded Turntrans-88.74.8175.871.2-19.3000113.5K56 A57 R496 D569 C573K56-D571 PolarHBondContact N-O 3.3Å; K56-D571 IonicContact NZ-OD2 2.68Å; K56-D571 PolarHBondContact NZ-OD2 3.38Å; A57-D571 PolarHBondContact N-O 3.41Å; R496-D571 IonicContact CZ-OD1 3.74Å; R496-D571 IonicContact CZ-OD2 2.73Å; R496-D571 IonicContact NH1-OD1 2.68Å; R496-D571 PolarHBondContact NH1-OD1 3.02Å; R496-D571 IonicContact NH1-OD2 2.86Å; R496-D571 PolarHBondContact NH1-OD2 3.15Å; R496-D571 IonicContact NH2-OD2 2.8Å; R496-D571 PolarHBondContact NH2-OD2 2.71Å; D569-D571 VanDerWaalsContact CB-OD1 3.32Å; D569-D571 WeakPolarHBondContact CB-OD1 3.19Å; D569-D571 PolarHBondContact O-N 2.87Å; D571-C573 WeakPolarHBondContact OD1-CB 3.29Å; D571-C573 PolarHBondContact OD1-N 2.68Å
572G92.7Very high91Very high1 Ų135.6 Ų35.61%0.0118%0.18CC..SBendtrans82.97.317900000114.5A57 D569 P570A57-G572 WeakPolarHBondContact O-CA 3.47Å; D569-G572 PolarHBondContact O-N 3.36Å; P570-G572 VanDerWaalsContact C-N 3.31Å
573C95.3Very high90.2Very high0 Ų035.4 Ų35.40%018%0.179CC..  trans-72.6139.9171.1-74.40000111.2F568 D569 D571F568-C573 WeakPolarHBondContact CA-O 3.34Å; D569-C573 HydrophobicContact CB-CB 4.3Å; D569-C573 PolarHBondContact N-O 3.44Å; D571-C573 WeakPolarHBondContact OD1-CB 3.29Å; D571-C573 PolarHBondContact OD1-N 2.68Å
574L96.1Very high89.5Confident0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-87.7138.5173.6-174.167.4000110.1Y475 T485 V497 G498 I506 I528 F568 I576Y475-L574 HydrophobicContact CD1-CD2 4.15Å; Y475-L574 HydrophobicContact CE1-CD2 4.38Å; T485-L574 HydrophobicContact CG2-CB 4.07Å; T485-L574 HydrophobicContact CG2-CD2 3.93Å; V497-L574 HydrophobicContact CG2-CB 3.96Å; V497-L574 HydrophobicContact CG2-CD2 4.21Å; V497-L574 HydrophobicContact CG2-CG 4.12Å; V497-L574 WeakPolarHBondContact CG2-O 3.39Å; V497-L574 PolarHBondContact N-O 2.95Å; G498-L574 PolarHBondContact O-N 2.78Å; I506-L574 HydrophobicContact CD1-CD2 4.19Å; I528-L574 HydrophobicContact CD1-CD1 4.42Å; I528-L574 HydrophobicContact CD1-CD2 3.98Å; I528-L574 HydrophobicContact CG1-CD1 4.32Å; I528-L574 HydrophobicContact CG1-CD2 4.34Å; I528-L574 HydrophobicContact CG2-CD2 4.31Å; F568-L574 HydrophobicContact CD1-CB 4.29Å; F568-L574 HydrophobicContact CD1-CD1 4.17Å; F568-L574 HydrophobicContact CE1-CB 3.98Å; F568-L574 HydrophobicContact CE1-CD1 3.95Å; F568-L574 HydrophobicContact CE2-CD1 4.37Å; F568-L574 HydrophobicContact CG-CD1 4.47Å; F568-L574 HydrophobicContact CZ-CD1 4.05Å; L574-I576 HydrophobicContact CD2-CD1 3.91Å; L574-I576 HydrophobicContact CG-CD1 4.2Å
575K94.2Very high88.8Confident85 Ų8539.3 Ų39.337%0.3719%0.19SC..EExtended strand (participates in β ladder)trans-116.6132.3166.9173.4175.5176-164.50108.7G495 R496 G566 E567G495-K575 WeakPolarHBondContact O-CG 3.46Å; R496-K575 HydrophobicContact CB-CB 4.31Å; G566-K575 CarbonylContact C-O 3.6Å; G566-K575 WeakPolarHBondContact CA-O 3.34Å; E567-K575 PolarHBondContact N-O 2.84Å; E567-K575 PolarHBondContact O-N 3.5Å
576I92.7Very high88.2Confident44 Ų4439.4 Ų39.423%0.22619%0.19CC..EExtended strand (participates in β ladder)trans-85.8128.3174.9-50.6-57.5000108.2Y475 V497 I528 L574Y475-I576 HydrophobicContact CD1-CD1 4.06Å; Y475-I576 HydrophobicContact CD2-CD1 3.72Å; Y475-I576 HydrophobicContact CD2-CG1 4.04Å; Y475-I576 HydrophobicContact CE1-CD1 4.18Å; Y475-I576 HydrophobicContact CE2-CD1 3.87Å; Y475-I576 HydrophobicContact CE2-CG1 4.47Å; Y475-I576 HydrophobicContact CG-CD1 3.81Å; Y475-I576 HydrophobicContact CG-CG1 4.33Å; V497-I576 HydrophobicContact CG1-CG1 3.89Å; V497-I576 HydrophobicContact CG2-CD1 3.99Å; V497-I576 HydrophobicContact CG2-CG1 3.9Å; I528-I576 HydrophobicContact CD1-CD1 3.43Å; I528-I576 VanDerWaalsContact CD1-CD1 3.43Å; L574-I576 HydrophobicContact CD2-CD1 3.91Å; L574-I576 HydrophobicContact CG-CD1 4.2Å
577I88.7Confident87Confident40 Ų4045.9 Ų45.921%0.20522%0.22CC..EExtended strand (participates in β ladder)trans-83.8-66.9173.9-60.5-171.8000108.5Y516 R525 I565 E567 S593Y516-I577 HydrophobicContact CD1-CD1 4.22Å; Y516-I577 HydrophobicContact CE1-CD1 3.81Å; R525-I577 HydrophobicContact CG-CD1 4.31Å; I565-I577 HydrophobicContact CB-CB 4.33Å; I565-I577 HydrophobicContact CG2-CB 4.11Å; I565-I577 HydrophobicContact CG2-CD1 3.97Å; I565-I577 HydrophobicContact CG2-CG1 4.33Å; I565-I577 PolarHBondContact O-N 3.07Å; E567-I577 HydrophobicContact CB-CD1 4.28Å; E567-I577 HydrophobicContact CB-CG1 4.42Å; I577-S593 PolarHBondContact O-OG 3.34Å
578D83.5Confident85.7Confident9 Ų947.8 Ų47.85%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-171.3-179.3172.6-147.2-28.6000110I565 L583 S593 L594 G595I565-D578 PolarHBondContact N-O 2.84Å; D578-L583 HydrophobicContact CB-CD1 4.49Å; D578-L583 HydrophobicContact CB-CD2 3.78Å; D578-L583 HydrophobicContact CB-CG 3.9Å; D578-S593 WeakPolarHBondContact CB-OG 3.31Å; D578-S593 VanDerWaalsContact CG-OG 3.3Å; D578-S593 WeakPolarHBondContact OD2-CA 3.42Å; D578-S593 VanDerWaalsContact OD2-CB 3.28Å; D578-S593 WeakPolarHBondContact OD2-CB 3.44Å; D578-S593 PolarHBondContact OD2-OG 2.76Å; D578-L594 PolarHBondContact OD2-N 3.09Å; D578-G595 PolarHBondContact OD2-N 2.99Å; D578-G595 VanDerWaalsContact OD2-N 3.11Å
579R85.3Confident84.1Confident101 Ų10149.2 Ų49.238%0.38126%0.257SS..EExtended strand (participates in β ladder)trans-74.6141.8169.5-47-163.9140.4171.1-3.5110.4D564 K581 D582 L583D564-R579 VanDerWaalsContact OD1-CG 3.27Å; D564-R579 WeakPolarHBondContact OD1-CG 3.25Å; D564-R579 IonicContact OD1-NE 2.9Å; R579-K581 PolarHBondContact O-N 2.96Å; R579-D582 HydrophobicContact CB-CB 4.02Å; R579-D582 PolarHBondContact O-N 3.06Å; R579-L583 PolarHBondContact O-N 2.78Å
580K84.5Confident83.3Confident47 Ų4751.3 Ų51.320%0.20427%0.266CS..THydrogen-bonded Turntrans-50.6-36.7173.5-78.5-175.5176.1179.10113.3W511 E527 G563 I565W511-K580 HydrophobicContact CD2-CD 4.34Å; W511-K580 HydrophobicContact CD2-CG 4.26Å; W511-K580 HydrophobicContact CE3-CG 4.19Å; W511-K580 HydrophobicContact CH2-CB 4.5Å; W511-K580 HydrophobicContact CH2-CG 4.45Å; W511-K580 HydrophobicContact CZ2-CG 4.49Å; W511-K580 HydrophobicContact CZ3-CG 4.31Å; E527-K580 VanDerWaalsContact CD-CE 3.46Å; E527-K580 WeakPolarHBondContact OE1-CE 3.25Å; E527-K580 IonicContact OE1-NZ 3.14Å; E527-K580 PolarHBondContact OE1-NZ 3.08Å; E527-K580 IonicContact OE2-NZ 3.65Å; E527-K580 PolarHBondContact OE2-NZ 3.25Å; G563-K580 WeakPolarHBondContact O-CB 3.37Å; G563-K580 WeakPolarHBondContact O-CG 3.24Å; G563-K580 PolarHBondContact O-N 3.04Å; I565-K580 HydrophobicContact CD1-CD 4.24Å; I565-K580 HydrophobicContact CD1-CG 3.57Å; I565-K580 HydrophobicContact CG1-CG 3.87Å
581K80.6Confident82.7Confident148 Ų14848.7 Ų48.764%0.64324%0.242SC*.THydrogen-bonded Turntrans-78.1-21.6180-64.1-177.5-179.5177.90114R579R579-K581 PolarHBondContact O-N 2.96Å
582D77.6Confident82.2Confident24 Ų2447.6 Ų47.613%0.12824%0.236CC..THydrogen-bonded Turntrans-96.5-11.6-178.7-69.28.4000111.3R579 V584 L594 R702R579-D582 HydrophobicContact CB-CB 4.02Å; R579-D582 PolarHBondContact O-N 3.06Å; D582-V584 PolarHBondContact O-N 3.26Å; D582-L594 WeakPolarHBondContact O-CG 3.46Å; D582-R702 IonicContact OD1-NE 2.62Å; D582-R702 PolarHBondContact OD1-NE 3.24Å; D582-R702 IonicContact OD2-CZ 3.91Å; D582-R702 IonicContact OD2-NE 3.87Å; D582-R702 PolarHBondContact OD2-NE 2.82Å; D582-R702 IonicContact OD2-NH2 2.86Å
583L79.1Confident81.8Confident12 Ų1247.9 Ų47.96%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-76.3107.8167.9-70.7169.9000110W511 Y516 I565 D578 R579 Y591W511-L583 HydrophobicContact CH2-CB 4.37Å; W511-L583 HydrophobicContact CH2-CD1 4.36Å; W511-L583 HydrophobicContact CZ3-CB 4.45Å; W511-L583 HydrophobicContact CZ3-CD1 3.66Å; Y516-L583 HydrophobicContact CE2-CD1 4.06Å; I565-L583 HydrophobicContact CB-CD1 4.25Å; I565-L583 HydrophobicContact CG1-CD1 3.74Å; D578-L583 HydrophobicContact CB-CD1 4.49Å; D578-L583 HydrophobicContact CB-CD2 3.78Å; D578-L583 HydrophobicContact CB-CG 3.9Å; R579-L583 PolarHBondContact O-N 2.78Å; L583-Y591 HydrophobicContact CB-CD1 4.15Å
584V78.3Confident81.5Confident21 Ų2148.2 Ų48.213%0.12724%0.24CC..EExtended strand (participates in β ladder)trans-104.1120.9178.1-176.90000109.2D582 L586 V592 L594 A614D582-V584 PolarHBondContact O-N 3.26Å; V584-L586 PolarHBondContact O-N 2.81Å; V584-V592 PolarHBondContact N-O 3.04Å; V584-V592 PolarHBondContact O-N 3.49Å; V584-L594 HydrophobicContact CG2-CD1 3.97Å; V584-L594 HydrophobicContact CG2-CG 4.44Å; V584-A614 HydrophobicContact CB-CB 3.87Å; V584-A614 HydrophobicContact CG1-CB 3.79Å; V584-A614 HydrophobicContact CG2-CB 4.23Å
585K78.9Confident80.8Confident95 Ų9548.6 Ų48.641%0.41324%0.244SC..EExtended strand (participates in β ladder)trans-73.6119.7168.5-165.8176.7-175.4170.50109G589 E590 Y591 S616K585-G589 WeakPolarHBondContact CE-O 3.46Å; K585-E590 CarbonylContact C-O 3.52Å; K585-E590 WeakPolarHBondContact CA-O 3.45Å; K585-Y591 HydrophobicContact CB-CD1 3.97Å; K585-Y591 HydrophobicContact CB-CE1 3.59Å; K585-Y591 HydrophobicContact CB-CE2 4.35Å; K585-Y591 HydrophobicContact CB-CG 4.49Å; K585-Y591 HydrophobicContact CD-CE2 4.06Å; K585-Y591 HydrophobicContact CG-CD2 4.44Å; K585-Y591 HydrophobicContact CG-CE1 4.25Å; K585-Y591 HydrophobicContact CG-CE2 4.1Å; K585-S616 WeakPolarHBondContact O-CA 3.32Å; K585-S616 WeakPolarHBondContact O-CB 3.44Å; K585-S616 PolarHBondContact O-OG 2.86Å
586L81.7Confident80.3Confident3 Ų348.9 Ų48.92%0.01625%0.245CC..  trans-75166171.7-63.6-179.7000110.8V584 A588 G589 E590 V592 A614 F674V584-L586 PolarHBondContact O-N 2.81Å; L586-A588 PolarHBondContact O-N 3.17Å; L586-G589 PolarHBondContact O-N 2.82Å; L586-E590 PolarHBondContact N-O 3.05Å; L586-V592 HydrophobicContact CD1-CG2 3.54Å; L586-V592 HydrophobicContact CD2-CG2 4.34Å; L586-V592 HydrophobicContact CG-CG2 3.79Å; L586-A614 HydrophobicContact CD2-CB 4.03Å; L586-F674 HydrophobicContact CD1-CB 4.09Å; L586-F674 HydrophobicContact CD1-CD2 4.18Å
587Q71.6Confident80Confident135 Ų13546.8 Ų46.863%0.63123%0.234SC*.THydrogen-bonded Turntrans-56.4-33.8-180-174.1-175.51.700113.2G589 S616 Y617 H618Q587-G589 PolarHBondContact O-N 3.32Å; Q587-S616 WeakPolarHBondContact CA-O 3.42Å; Q587-S616 PolarHBondContact N-O 2.85Å; Q587-Y617 PolarHBondContact OE1-O 2.67Å; Q587-H618 PolarHBondContact N-O 3.02Å
588A67.3Low80.1Confident71 Ų7145.6 Ų45.659%0.58723%0.228SC*.THydrogen-bonded Turntrans-77.9-3.3179.100000113.5L586 E590L586-A588 PolarHBondContact O-N 3.17Å; A588-E590 WeakPolarHBondContact CA-OE2 3.49Å; A588-E590 WeakPolarHBondContact CB-OE2 3.21Å
589G61.9Low80.1Confident32 Ų3246 Ų4633%0.3323%0.233SC..SBendtrans100.2-8.7171.100000114.6K585 L586 Q587K585-G589 WeakPolarHBondContact CE-O 3.46Å; L586-G589 PolarHBondContact O-N 2.82Å; Q587-G589 PolarHBondContact O-N 3.32Å
590E75.3Confident80.1Confident75 Ų7542.6 Ų42.635%0.3523%0.226SC..PPolyproline II helixtrans-74.4144.2176.3-5288.4164.900111.7K585 L586 A588 F674K585-E590 CarbonylContact C-O 3.52Å; K585-E590 WeakPolarHBondContact CA-O 3.45Å; L586-E590 PolarHBondContact N-O 3.05Å; A588-E590 WeakPolarHBondContact CA-OE2 3.49Å; A588-E590 WeakPolarHBondContact CB-OE2 3.21Å; E590-F674 HydrophobicContact CB-CD2 3.93Å; E590-F674 HydrophobicContact CB-CE1 4.49Å; E590-F674 HydrophobicContact CB-CE2 3.86Å; E590-F674 HydrophobicContact CB-CG 4.32Å; E590-F674 HydrophobicContact CB-CZ 4.16Å; E590-F674 HydrophobicContact CG-CD1 4.34Å; E590-F674 HydrophobicContact CG-CE1 4.36Å; E590-F674 HydrophobicContact CG-CG 4.44Å; E590-F674 HydrophobicContact CG-CZ 4.49Å
591Y78.4Confident80.4Confident56 Ų5640.4 Ų40.422%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-93.8126.9172.4-78.8-87.3000110.6W511 E513 L583 K585W511-Y591 HydrophobicContact CH2-CE1 4.35Å; E513-Y591 PolarHBondContact O-OH 3.45Å; L583-Y591 HydrophobicContact CB-CD1 4.15Å; K585-Y591 HydrophobicContact CB-CD1 3.97Å; K585-Y591 HydrophobicContact CB-CE1 3.59Å; K585-Y591 HydrophobicContact CB-CE2 4.35Å; K585-Y591 HydrophobicContact CB-CG 4.49Å; K585-Y591 HydrophobicContact CD-CE2 4.06Å; K585-Y591 HydrophobicContact CG-CD2 4.44Å; K585-Y591 HydrophobicContact CG-CE1 4.25Å; K585-Y591 HydrophobicContact CG-CE2 4.1Å
592V82.3Confident80.7Confident0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-100.5128.4173.5176.60000109.9V584 L586 L594 V597 V621 F674 E675V584-V592 PolarHBondContact N-O 3.04Å; V584-V592 PolarHBondContact O-N 3.49Å; L586-V592 HydrophobicContact CD1-CG2 3.54Å; L586-V592 HydrophobicContact CD2-CG2 4.34Å; L586-V592 HydrophobicContact CG-CG2 3.79Å; V592-L594 HydrophobicContact CG1-CD2 4.14Å; V592-V597 HydrophobicContact CG1-CG2 4.33Å; V592-V621 HydrophobicContact CB-CG2 4.4Å; V592-V621 HydrophobicContact CG1-CG2 3.84Å; V592-V621 HydrophobicContact CG2-CG2 4.01Å; V592-F674 HydrophobicContact CG2-CD2 3.61Å; V592-F674 HydrophobicContact CG2-CE2 3.95Å; V592-E675 HydrophobicContact CG1-CG 4.44Å
593S85.3Confident80.8Confident8 Ų834.7 Ų34.76%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-84.7104.3165.8167.10000109.7I577 D578 G595 K596 V597I577-S593 PolarHBondContact O-OG 3.34Å; D578-S593 WeakPolarHBondContact CB-OG 3.31Å; D578-S593 VanDerWaalsContact CG-OG 3.3Å; D578-S593 WeakPolarHBondContact OD2-CA 3.42Å; D578-S593 VanDerWaalsContact OD2-CB 3.28Å; D578-S593 WeakPolarHBondContact OD2-CB 3.44Å; D578-S593 PolarHBondContact OD2-OG 2.76Å; S593-G595 VanDerWaalsContact C-N 3.32Å; S593-G595 PolarHBondContact O-N 3.12Å; S593-K596 PolarHBondContact O-N 3.35Å; S593-K596 WeakPolarHBondContact OG-CB 3.33Å; S593-K596 PolarHBondContact OG-N 3.22Å; S593-V597 WeakPolarHBondContact O-CG2 3.49Å; S593-V597 PolarHBondContact O-N 3.07Å
594L87.3Confident81.1Confident7 Ų735.6 Ų35.64%0.03720%0.196CC..Hα-helixtrans-64.6-38.3179.5-62.5178.3000111.5D578 D582 V584 V592 K596 V597 E598 A612 A614 V621D578-L594 PolarHBondContact OD2-N 3.09Å; D582-L594 WeakPolarHBondContact O-CG 3.46Å; V584-L594 HydrophobicContact CG2-CD1 3.97Å; V584-L594 HydrophobicContact CG2-CG 4.44Å; V592-L594 HydrophobicContact CG1-CD2 4.14Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.3Å; L594-V597 PolarHBondContact O-N 2.88Å; L594-E598 VanDerWaalsContact O-CG 3.27Å; L594-E598 WeakPolarHBondContact O-CG 3.38Å; L594-E598 PolarHBondContact O-N 3.18Å; L594-A612 HydrophobicContact CB-CB 4.31Å; L594-A612 HydrophobicContact CD2-CB 3.89Å; L594-A614 HydrophobicContact CD2-CB 3.89Å; L594-V621 HydrophobicContact CD2-CG1 4.43Å
595G82.7Confident81.4Confident8 Ų838.1 Ų38.18%0.08221%0.213CC..Hα-helixtrans-64.4-37.1179.200000113D578 S593 E598 A599D578-G595 PolarHBondContact OD2-N 2.99Å; D578-G595 VanDerWaalsContact OD2-N 3.11Å; S593-G595 VanDerWaalsContact C-N 3.32Å; S593-G595 PolarHBondContact O-N 3.12Å; G595-E598 PolarHBondContact O-N 2.84Å; G595-A599 WeakPolarHBondContact O-CB 3.33Å; G595-A599 PolarHBondContact O-N 3.33Å
596K82.8Confident81.9Confident90 Ų9034.2 Ų34.239%0.39120%0.197SC..Hα-helixtrans-62.6-46.3175.1178.8-169.1172.6-156.50111.5S593 L594 E598 A599 A600 L671 E675S593-K596 PolarHBondContact O-N 3.35Å; S593-K596 WeakPolarHBondContact OG-CB 3.33Å; S593-K596 PolarHBondContact OG-N 3.22Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.3Å; K596-E598 VanDerWaalsContact C-N 3.34Å; K596-E598 PolarHBondContact O-N 2.86Å; K596-A599 PolarHBondContact O-N 3.13Å; K596-A600 WeakPolarHBondContact O-CB 3.45Å; K596-A600 PolarHBondContact O-N 3.47Å; K596-A600 VanDerWaalsContact O-N 3.08Å; K596-L671 HydrophobicContact CD-CD2 4.21Å; K596-L671 HydrophobicContact CG-CD2 4.1Å; K596-E675 WeakPolarHBondContact CD-OE1 3.33Å; K596-E675 IonicContact NZ-OE1 2.94Å; K596-E675 PolarHBondContact NZ-OE1 2.72Å; K596-E675 IonicContact NZ-OE2 3.74Å; K596-E675 PolarHBondContact NZ-OE2 3.1Å
597V86.8Confident82.3Confident0 Ų034.1 Ų34.10%020%0.196CC..Hα-helixtrans-61.1-45.8178.7177.10000110.6V592 S593 L594 A600 L601 A612 L671 E675 P677V592-V597 HydrophobicContact CG1-CG2 4.33Å; S593-V597 WeakPolarHBondContact O-CG2 3.49Å; S593-V597 PolarHBondContact O-N 3.07Å; L594-V597 PolarHBondContact O-N 2.88Å; V597-A600 PolarHBondContact O-N 2.66Å; V597-L601 HydrophobicContact CG1-CD1 3.86Å; V597-L601 WeakPolarHBondContact O-CG 3.37Å; V597-L601 PolarHBondContact O-N 2.77Å; V597-L601 VanDerWaalsContact O-N 3.13Å; V597-A612 HydrophobicContact CB-CB 4.17Å; V597-A612 HydrophobicContact CG1-CB 4.04Å; V597-L671 HydrophobicContact CB-CD1 4.46Å; V597-L671 HydrophobicContact CG1-CD1 4.27Å; V597-L671 HydrophobicContact CG2-CD1 4.31Å; V597-E675 HydrophobicContact CG2-CB 3.86Å; V597-E675 WeakPolarHBondContact CG2-O 3.16Å; V597-P677 HydrophobicContact CG1-CG 4.05Å
598E89.9Confident83Confident16 Ų1630.5 Ų30.58%0.07518%0.181CC..Hα-helixtrans-61.8-49.9178.9-70.6161.2175.700112L594 G595 K596 A600 L601 K602 I610 C611 A612 L700 R702L594-E598 VanDerWaalsContact O-CG 3.27Å; L594-E598 WeakPolarHBondContact O-CG 3.38Å; L594-E598 PolarHBondContact O-N 3.18Å; G595-E598 PolarHBondContact O-N 2.84Å; K596-E598 VanDerWaalsContact C-N 3.34Å; K596-E598 PolarHBondContact O-N 2.86Å; E598-A600 PolarHBondContact O-N 3.33Å; E598-L601 PolarHBondContact O-N 2.9Å; E598-K602 WeakPolarHBondContact O-CB 3.34Å; E598-K602 PolarHBondContact O-N 3.02Å; E598-I610 HydrophobicContact CB-CG2 4.39Å; E598-C611 WeakPolarHBondContact OE1-CA 3.01Å; E598-A612 HydrophobicContact CG-CB 3.9Å; E598-A612 PolarHBondContact OE1-N 3.39Å; E598-L700 HydrophobicContact CG-CD1 4.36Å; E598-L700 WeakPolarHBondContact OE2-CD1 3.36Å; E598-R702 VanDerWaalsContact CD-NH2 3.35Å; E598-R702 IonicContact OE1-CZ 3.26Å; E598-R702 IonicContact OE1-NH1 3.92Å; E598-R702 PolarHBondContact OE1-NH1 2.85Å; E598-R702 IonicContact OE1-NH2 2.66Å; E598-R702 PolarHBondContact OE1-NH2 2.75Å; E598-R702 IonicContact OE2-CZ 3.81Å; E598-R702 IonicContact OE2-NH1 3.59Å; E598-R702 IonicContact OE2-NH2 3.62Å; E598-R702 PolarHBondContact OE2-NH2 3.07Å
599A84.6Confident84.1Confident18 Ų1827.7 Ų27.715%0.14916%0.156CC..Hα-helixtrans-61.2-33.3179.700000112.7S456 G595 K596S456-A599 WeakPolarHBondContact CB-O 3.25Å; G595-A599 WeakPolarHBondContact O-CB 3.33Å; G595-A599 PolarHBondContact O-N 3.33Å; K596-A599 PolarHBondContact O-N 3.13Å
600A85.8Confident85.6Confident29 Ų2926.2 Ų26.224%0.2414%0.141CC..Hα-helixtrans-70.6-41.3177.100000112.6K596 V597 E598 A669 L671K596-A600 WeakPolarHBondContact O-CB 3.45Å; K596-A600 PolarHBondContact O-N 3.47Å; K596-A600 VanDerWaalsContact O-N 3.08Å; V597-A600 PolarHBondContact O-N 2.66Å; E598-A600 PolarHBondContact O-N 3.33Å; A600-A669 HydrophobicContact CB-CB 3.98Å; A600-L671 HydrophobicContact CB-CD1 4Å; A600-L671 HydrophobicContact CB-CD2 4.26Å; A600-L671 HydrophobicContact CB-CG 4.29Å
601L89.6Confident86.5Confident0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-90.1-21-172.2-65.4178.6000114.2V597 E598 N603 L604 I610 L662 A665 A666 P677V597-L601 HydrophobicContact CG1-CD1 3.86Å; V597-L601 WeakPolarHBondContact O-CG 3.37Å; V597-L601 PolarHBondContact O-N 2.77Å; V597-L601 VanDerWaalsContact O-N 3.13Å; E598-L601 PolarHBondContact O-N 2.9Å; L601-N603 PolarHBondContact O-N 3.23Å; L601-N603 VanDerWaalsContact O-N 3.16Å; L601-L604 HydrophobicContact CD2-CD1 4.19Å; L601-L604 WeakPolarHBondContact O-CD1 3.27Å; L601-L604 WeakPolarHBondContact O-CG 3.41Å; L601-L604 PolarHBondContact O-N 2.83Å; L601-I610 HydrophobicContact CB-CD1 3.8Å; L601-I610 HydrophobicContact CB-CG2 4.43Å; L601-I610 HydrophobicContact CD1-CD1 3.78Å; L601-I610 HydrophobicContact CG-CD1 4.46Å; L601-L662 HydrophobicContact CB-CD2 4.45Å; L601-L662 HydrophobicContact CD2-CD2 4.48Å; L601-L662 WeakPolarHBondContact CD2-O 3.48Å; L601-A665 HydrophobicContact CD2-CB 4.09Å; L601-A666 HydrophobicContact CD2-CB 4.03Å; L601-P677 HydrophobicContact CD1-CG 4.05Å
602K86.9Confident87.1Confident28 Ų2820.2 Ų20.212%0.12212%0.115CC..THydrogen-bonded Turntrans-62.4-23.2-175.6-173.5166.4-178166.30115.3E385 D388 K392 E598 L604 N609 I610E385-K602 WeakPolarHBondContact OE2-CE 3.35Å; E385-K602 IonicContact OE2-NZ 3.01Å; E385-K602 PolarHBondContact OE2-NZ 3.39Å; D388-K602 WeakPolarHBondContact OD2-CD 3.5Å; K392-K602 PolarHBondContact NZ-O 2.91Å; E598-K602 WeakPolarHBondContact O-CB 3.34Å; E598-K602 PolarHBondContact O-N 3.02Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 3.14Å; K602-N609 WeakPolarHBondContact CE-OD1 3.38Å; K602-N609 PolarHBondContact NZ-OD1 3.1Å; K602-N609 VanDerWaalsContact NZ-OD1 3.16Å; K602-I610 HydrophobicContact CB-CG2 4.09Å
603N80.4Confident87.6Confident25 Ų2521.7 Ų21.713%0.13412%0.121CC..THydrogen-bonded Turntrans-84-0-177.2-72.4-62.9000114.2D388 T459 L601D388-N603 PolarHBondContact OD1-OD1 3.14Å; D388-N603 VanDerWaalsContact OD1-OD1 3.1Å; T459-N603 PolarHBondContact OG1-ND2 3.02Å; T459-N603 PolarHBondContact OG1-OD1 3.4Å; L601-N603 PolarHBondContact O-N 3.23Å; L601-N603 VanDerWaalsContact O-N 3.16Å
604L85.6Confident87.7Confident31 Ų3121.7 Ų21.716%0.16212%0.121CC..SBendtrans-68.4137.7176.5-68.8164.9000110.5L601 K602 L606 V607 L662 A665L601-L604 HydrophobicContact CD2-CD1 4.19Å; L601-L604 WeakPolarHBondContact O-CD1 3.27Å; L601-L604 WeakPolarHBondContact O-CG 3.41Å; L601-L604 PolarHBondContact O-N 2.83Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 3.14Å; L604-L606 PolarHBondContact O-N 3.42Å; L604-L606 VanDerWaalsContact O-N 3.11Å; L604-V607 HydrophobicContact CB-CB 4.27Å; L604-V607 HydrophobicContact CB-CG2 3.95Å; L604-V607 HydrophobicContact CD1-CG2 4.4Å; L604-V607 PolarHBondContact O-N 2.53Å; L604-L662 HydrophobicContact CD1-CD2 3.53Å; L604-A665 HydrophobicContact CD1-CB 3.51Å; L604-A665 HydrophobicContact CD2-CB 3.45Å; L604-A665 VanDerWaalsContact CD2-CB 3.45Å; L604-A665 HydrophobicContact CG-CB 3.93Å
605P84.4Confident87.6Confident74 Ų7423.4 Ų23.448%0.48113%0.13SC..THydrogen-bonded Turntrans-54.8-33.7178.7-26.934.6000113.1V607 N628 E631P605-V607 VanDerWaalsContact C-N 3.25Å; P605-V607 PolarHBondContact O-N 2.79Å; P605-N628 VanDerWaalsContact O-CB 3.23Å; P605-N628 WeakPolarHBondContact O-CB 3.48Å; P605-E631 HydrophobicContact CB-CG 4.2Å; P605-E631 WeakPolarHBondContact O-CG 3.46Å
606L89.6Confident87.5Confident13 Ų1326 Ų267%0.06815%0.147CC..THydrogen-bonded Turntrans-72.6-14.3-179.4-16665.1000113.8L604 P627 N628 E631 L632 L635 V658 V661L604-L606 PolarHBondContact O-N 3.42Å; L604-L606 VanDerWaalsContact O-N 3.11Å; L606-P627 CarbonylContact O-C 3.48Å; L606-P627 WeakPolarHBondContact O-CA 3.35Å; L606-N628 PolarHBondContact O-N 3.19Å; L606-E631 HydrophobicContact CD1-CB 4.11Å; L606-L632 HydrophobicContact CD1-CB 4.07Å; L606-L632 HydrophobicContact CD1-CD1 3.89Å; L606-L632 HydrophobicContact CG-CD1 4.49Å; L606-L635 HydrophobicContact CD1-CD2 4.05Å; L606-L635 HydrophobicContact CD2-CD2 3.85Å; L606-V658 HydrophobicContact CD2-CB 4.08Å; L606-V658 HydrophobicContact CD2-CG1 3.79Å; L606-V658 HydrophobicContact CD2-CG2 3.72Å; L606-V658 HydrophobicContact CG-CG2 4.46Å; L606-V661 HydrophobicContact CD2-CB 4.41Å; L606-V661 HydrophobicContact CD2-CG1 4.38Å
607V90.8Very high87.4Confident0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-114.3120.4-170.7177.60000109.4K392 L604 P605 N609 I610 V625 L662K392-V607 PolarHBondContact NZ-O 2.7Å; L604-V607 HydrophobicContact CB-CB 4.27Å; L604-V607 HydrophobicContact CB-CG2 3.95Å; L604-V607 HydrophobicContact CD1-CG2 4.4Å; L604-V607 PolarHBondContact O-N 2.53Å; P605-V607 VanDerWaalsContact C-N 3.25Å; P605-V607 PolarHBondContact O-N 2.79Å; V607-N609 WeakPolarHBondContact CG1-O 3.34Å; V607-I610 HydrophobicContact CG1-CB 3.96Å; V607-I610 HydrophobicContact CG1-CG2 4.22Å; V607-V625 HydrophobicContact CG1-CG1 4.27Å; V607-V625 HydrophobicContact CG2-CG1 4.01Å; V607-L662 HydrophobicContact CG2-CD2 3.77Å
608D86.1Confident87.2Confident59 Ų5932.9 Ų32.932%0.31617%0.174SC..EExtended strand (participates in β ladder)trans-85.7-45.5167.4-80.7-16.4000110.9V626 N628D608-V626 HydrophobicContact CB-CB 4.44Å; D608-V626 HydrophobicContact CB-CG1 4.13Å; D608-V626 PolarHBondContact N-O 3.28Å; D608-N628 PolarHBondContact OD1-ND2 3.08Å; D608-N628 WeakPolarHBondContact OD2-CA 3.28Å
609N89.2Confident87Confident12 Ų1235.3 Ų35.36%0.06419%0.193CC..EExtended strand (participates in β ladder)trans-143.9153.9173.3-105.3-45.2000111.3K602 V607 V625 V626 W687K602-N609 WeakPolarHBondContact CE-OD1 3.38Å; K602-N609 PolarHBondContact NZ-OD1 3.1Å; K602-N609 VanDerWaalsContact NZ-OD1 3.16Å; V607-N609 WeakPolarHBondContact CG1-O 3.34Å; N609-V625 WeakPolarHBondContact O-CA 3.3Å; N609-V626 HydrophobicContact CB-CB 4.05Å; N609-V626 HydrophobicContact CB-CG2 3.99Å; N609-V626 PolarHBondContact N-O 3.39Å; N609-V626 PolarHBondContact O-N 3.34Å; N609-W687 HydrophobicContact CB-CD2 4.38Å; N609-W687 HydrophobicContact CB-CE3 3.75Å; N609-W687 HydrophobicContact CB-CZ3 4.04Å
610I93.6Very high87.2Confident2 Ų236.7 Ų36.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-143.1141.8177.8-175.4168.1000110.2E598 L601 K602 V607 F624 V625 L662 L700E598-I610 HydrophobicContact CB-CG2 4.39Å; L601-I610 HydrophobicContact CB-CD1 3.8Å; L601-I610 HydrophobicContact CB-CG2 4.43Å; L601-I610 HydrophobicContact CD1-CD1 3.78Å; L601-I610 HydrophobicContact CG-CD1 4.46Å; K602-I610 HydrophobicContact CB-CG2 4.09Å; V607-I610 HydrophobicContact CG1-CB 3.96Å; V607-I610 HydrophobicContact CG1-CG2 4.22Å; I610-F624 CarbonylContact C-O 3.57Å; I610-F624 VanDerWaalsContact CA-O 3.28Å; I610-F624 WeakPolarHBondContact CA-O 3.42Å; I610-V625 HydrophobicContact CD1-CG2 4.01Å; I610-V625 HydrophobicContact CG1-CG2 4.02Å; I610-L662 HydrophobicContact CD1-CD2 4.41Å; I610-L700 WeakPolarHBondContact O-CD1 3.39Å
611C93.5Very high87.5Confident3 Ų335.3 Ų35.32%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-126.2119.1169.8179.30000108.4E598 G623 F624 W687 L700 L705E598-C611 WeakPolarHBondContact OE1-CA 3.01Å; C611-G623 CarbonylContact O-C 3.57Å; C611-G623 WeakPolarHBondContact O-CA 3.42Å; C611-F624 HydrophobicContact CB-CB 4.47Å; C611-F624 HydrophobicContact CB-CD2 4.02Å; C611-F624 PolarHBondContact N-O 2.87Å; C611-F624 PolarHBondContact O-N 3.39Å; C611-W687 HydrophobicContact CB-CH2 3.53Å; C611-W687 HydrophobicContact CB-CZ3 3.75Å; C611-L700 HydrophobicContact CB-CD1 4.02Å; C611-L705 HydrophobicContact CB-CD1 3.99Å
612A92.8Very high87.7Confident1 Ų135.3 Ų35.31%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-80.3142.617000000109.2L594 V597 E598 V621 R702L594-A612 HydrophobicContact CB-CB 4.31Å; L594-A612 HydrophobicContact CD2-CB 3.89Å; V597-A612 HydrophobicContact CB-CB 4.17Å; V597-A612 HydrophobicContact CG1-CB 4.04Å; E598-A612 HydrophobicContact CG-CB 3.9Å; E598-A612 PolarHBondContact OE1-N 3.39Å; A612-V621 HydrophobicContact CB-CG1 4.18Å; A612-R702 PolarHBondContact O-NH1 3Å
613Y92.1Very high88.1Confident31 Ų3134 Ų3412%0.12218%0.177CC..EExtended strand (participates in β ladder)trans-136.5134.4176.1179.1-85.5000109.9N615 V621 I622 F624 K706 I713 Y717Y613-N615 HydrophobicContact CE1-CB 4.19Å; Y613-V621 WeakPolarHBondContact O-CG1 3.41Å; Y613-I622 HydrophobicContact CD1-CD1 3.76Å; Y613-I622 HydrophobicContact CD1-CG1 3.82Å; Y613-I622 HydrophobicContact CG-CD1 4.48Å; Y613-I622 HydrophobicContact CG-CG1 4.38Å; Y613-I622 PolarHBondContact N-O 2.73Å; Y613-I622 WeakPolarHBondContact O-CG1 3.34Å; Y613-I622 PolarHBondContact O-N 2.85Å; Y613-F624 HydrophobicContact CG-CE2 4.3Å; Y613-F624 HydrophobicContact CG-CZ 4.44Å; Y613-K706 HydrophobicContact CE2-CB 4.24Å; Y613-K706 HydrophobicContact CE2-CD 3.89Å; Y613-K706 HydrophobicContact CE2-CG 3.83Å; Y613-K706 VanDerWaalsContact OH-CE 3.3Å; Y613-K706 WeakPolarHBondContact OH-CE 3.38Å; Y613-I713 HydrophobicContact CD1-CD1 4.5Å; Y613-I713 HydrophobicContact CD2-CD1 4.43Å; Y613-I713 HydrophobicContact CE1-CD1 4.24Å; Y613-I713 HydrophobicContact CE1-CG1 4.46Å; Y613-I713 HydrophobicContact CE1-CG2 3.88Å; Y613-I713 HydrophobicContact CE2-CD1 4.19Å; Y613-Y717 AromaticContact CD1-CE2 3.79Å; Y613-Y717 HydrophobicContact CD1-CE2 3.79Å; Y613-Y717 HydrophobicContact CE1-CD2 4.5Å; Y613-Y717 AromaticContact CE1-CE2 3.71Å; Y613-Y717 HydrophobicContact CE1-CE2 3.71Å; Y613-Y717 PolarHBondContact O-OH 3.16Å
614A87.4Confident88.8Confident8 Ų832.9 Ų32.97%0.06617%0.171CC..  trans-132.9155.1175.700000109.8V584 L586 L594 V621 Y717V584-A614 HydrophobicContact CB-CB 3.87Å; V584-A614 HydrophobicContact CG1-CB 3.79Å; V584-A614 HydrophobicContact CG2-CB 4.23Å; L586-A614 HydrophobicContact CD2-CB 4.03Å; L594-A614 HydrophobicContact CD2-CB 3.89Å; A614-V621 HydrophobicContact CB-CG2 4.26Å; A614-Y717 WeakPolarHBondContact CA-OH 3.43Å
615N84.3Confident89.3Confident43 Ų4331.4 Ų31.423%0.2316%0.164CC..  trans-136.4135.7176179.1-2.1000108.9Y613 Y617 H618 Y717Y613-N615 HydrophobicContact CE1-CB 4.19Å; N615-Y617 PolarHBondContact O-N 2.64Å; N615-Y617 VanDerWaalsContact O-N 3.14Å; N615-Y617 VanDerWaalsContact OD1-CD2 3.27Å; N615-Y617 WeakPolarHBondContact OD1-CD2 3.19Å; N615-Y617 PolarHBondContact OD1-N 3.04Å; N615-H618 PolarHBondContact O-N 3.43Å; N615-Y717 HydrophobicContact CB-CE2 4.3Å
616S80.8Confident89.7Confident62 Ų6228.2 Ų28.243%0.43414%0.143SC..THydrogen-bonded Turntrans-63.4-18.1-175.9-59.20000115.4K585 Q587 H618K585-S616 WeakPolarHBondContact O-CA 3.32Å; K585-S616 WeakPolarHBondContact O-CB 3.44Å; K585-S616 PolarHBondContact O-OG 2.86Å; Q587-S616 WeakPolarHBondContact CA-O 3.42Å; Q587-S616 PolarHBondContact N-O 2.85Å; S616-H618 PolarHBondContact O-N 2.82Å
617Y80.6Confident89.9Confident188 Ų18827.7 Ų27.774%0.73714%0.14SC*.THydrogen-bonded Turntrans-79-4.4173.6-61-68.1000114.1Q587 N615Q587-Y617 PolarHBondContact OE1-O 2.67Å; N615-Y617 PolarHBondContact O-N 2.64Å; N615-Y617 VanDerWaalsContact O-N 3.14Å; N615-Y617 VanDerWaalsContact OD1-CD2 3.27Å; N615-Y617 WeakPolarHBondContact OD1-CD2 3.19Å; N615-Y617 PolarHBondContact OD1-N 3.04Å
618H84.1Confident89.8Confident48 Ų4829.5 Ų29.522%0.22215%0.15CC..SBendtrans-125.5157.1-177.4-61.9-77000111.7Q587 N615 S616 Y717Q587-H618 PolarHBondContact N-O 3.02Å; N615-H618 PolarHBondContact O-N 3.43Å; S616-H618 PolarHBondContact O-N 2.82Å; H618-Y717 HydrophobicContact CB-CD1 3.67Å; H618-Y717 HydrophobicContact CB-CE1 3.42Å; H618-Y717 VanDerWaalsContact CB-CE1 3.42Å; H618-Y717 AromaticContact CD2-CD1 3.28Å; H618-Y717 WeakPolarHBondContact CD2-CD1 3Å; H618-Y717 AromaticContact CD2-CE1 3.67Å; H618-Y717 AromaticContact CD2-CG 3.55Å; H618-Y717 AromaticContact CE1-CD1 3.76Å; H618-Y717 AromaticContact CE1-CG 3.95Å; H618-Y717 AromaticContact CG-CD1 3.18Å; H618-Y717 AromaticContact CG-CE1 3.48Å; H618-Y717 VanDerWaalsContact CG-CE1 3.48Å; H618-Y717 AromaticContact CG-CG 3.93Å; H618-Y717 AromaticContact ND1-CD1 3.51Å; H618-Y717 AromaticContact NE2-CD1 3.66Å; H618-Y717 AromaticContact NE2-CG 3.58Å
619S84.9Confident89.9Confident67 Ų6732 Ų3247%0.46916%0.16SC..SBendtrans-93.66.7-178.256.60000114.1
620Y88.4Confident89.8Confident47 Ų4739.7 Ų39.718%0.18419%0.192CC..SBendtrans-147.7159.2-174.564.1-90.2000113.7I622 V678 M716 Y717Y620-I622 HydrophobicContact CD2-CG2 4.05Å; Y620-I622 HydrophobicContact CE2-CG2 3.78Å; Y620-V678 HydrophobicContact CD2-CB 3.9Å; Y620-V678 HydrophobicContact CD2-CG2 4.3Å; Y620-V678 HydrophobicContact CG-CB 4.31Å; Y620-V678 HydrophobicContact CG-CG2 4.27Å; Y620-M716 PolarHBondContact OH-O 3.03Å; Y620-Y717 AromaticContact CD2-CE1 3.97Å; Y620-Y717 HydrophobicContact CD2-CE1 3.97Å; Y620-Y717 HydrophobicContact CE1-CD1 4.31Å; Y620-Y717 HydrophobicContact CE1-CE1 4.4Å; Y620-Y717 AromaticContact CE2-CD1 3.78Å; Y620-Y717 HydrophobicContact CE2-CD1 3.78Å; Y620-Y717 AromaticContact CE2-CE1 3.59Å; Y620-Y717 HydrophobicContact CE2-CE1 3.59Å; Y620-Y717 AromaticContact CZ-CD1 3.63Å; Y620-Y717 AromaticContact CZ-CE1 3.84Å; Y620-Y717 WeakPolarHBondContact O-CE1 3.43Å; Y620-Y717 PolarHBondContact O-OH 3.33Å
621V91.6Very high89.5Confident0 Ų043.4 Ų43.40%021%0.21CC..EExtended strand (participates in β ladder)trans-94.2149179.3-176.30000110V592 L594 A612 Y613 A614 F674 P677 V678V592-V621 HydrophobicContact CB-CG2 4.4Å; V592-V621 HydrophobicContact CG1-CG2 3.84Å; V592-V621 HydrophobicContact CG2-CG2 4.01Å; L594-V621 HydrophobicContact CD2-CG1 4.43Å; A612-V621 HydrophobicContact CB-CG1 4.18Å; Y613-V621 WeakPolarHBondContact O-CG1 3.41Å; A614-V621 HydrophobicContact CB-CG2 4.26Å; V621-F674 WeakPolarHBondContact CG2-O 3.48Å; V621-P677 HydrophobicContact CG1-CG 4.36Å; V621-P677 CarbonylContact O-C 3.53Å; V621-P677 WeakPolarHBondContact O-CA 3.46Å; V621-V678 PolarHBondContact O-N 3.09Å
622I94.5Very high89.3Confident0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-122165.8170.261.2165.6000110Y613 Y620 F624 K679 I713 M716 Y717Y613-I622 HydrophobicContact CD1-CD1 3.76Å; Y613-I622 HydrophobicContact CD1-CG1 3.82Å; Y613-I622 HydrophobicContact CG-CD1 4.48Å; Y613-I622 HydrophobicContact CG-CG1 4.38Å; Y613-I622 PolarHBondContact N-O 2.73Å; Y613-I622 WeakPolarHBondContact O-CG1 3.34Å; Y613-I622 PolarHBondContact O-N 2.85Å; Y620-I622 HydrophobicContact CD2-CG2 4.05Å; Y620-I622 HydrophobicContact CE2-CG2 3.78Å; I622-F624 HydrophobicContact CD1-CZ 4.33Å; I622-K679 CarbonylContact C-O 3.52Å; I622-K679 VanDerWaalsContact CA-O 3.27Å; I622-K679 WeakPolarHBondContact CA-O 3.5Å; I622-K679 HydrophobicContact CG2-CB 4.09Å; I622-I713 HydrophobicContact CD1-CG1 4.13Å; I622-M716 HydrophobicContact CB-CE 4.42Å; I622-M716 HydrophobicContact CB-SD 4.01Å; I622-M716 HydrophobicContact CD1-CB 4.2Å; I622-M716 HydrophobicContact CD1-CE 3.6Å; I622-M716 HydrophobicContact CD1-SD 4.18Å; I622-M716 HydrophobicContact CG1-CE 4.47Å; I622-M716 HydrophobicContact CG2-CB 4.11Å; I622-M716 HydrophobicContact CG2-SD 4.31Å; I622-Y717 HydrophobicContact CD1-CD2 3.97Å; I622-Y717 HydrophobicContact CD1-CE2 3.48Å; I622-Y717 VanDerWaalsContact CD1-CE2 3.48Å; I622-Y717 HydrophobicContact CG1-CE2 3.78Å; I622-Y717 HydrophobicContact CG2-CE1 4.15Å; I622-Y717 HydrophobicContact CG2-CE2 4.25Å
623G94.8Very high89.1Confident0 Ų046.5 Ų46.50%023%0.229CC..EExtended strand (participates in β ladder)trans-137.9142.9-177.900000114.9C611 K679 I680 R681C611-G623 CarbonylContact O-C 3.57Å; C611-G623 WeakPolarHBondContact O-CA 3.42Å; G623-K679 PolarHBondContact N-O 3.28Å; G623-I680 CarbonylContact O-C 3.55Å; G623-I680 WeakPolarHBondContact O-CA 3.28Å; G623-I680 WeakPolarHBondContact O-CB 3.33Å; G623-R681 PolarHBondContact O-N 3.16Å
624F95.6Very high88.9Confident1 Ų148.1 Ų48.10%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-104130166.5-43.3-68.3000108.3I610 C611 Y613 I622 R681 W687 Y709 I713 M716I610-F624 CarbonylContact C-O 3.57Å; I610-F624 VanDerWaalsContact CA-O 3.28Å; I610-F624 WeakPolarHBondContact CA-O 3.42Å; C611-F624 HydrophobicContact CB-CB 4.47Å; C611-F624 HydrophobicContact CB-CD2 4.02Å; C611-F624 PolarHBondContact N-O 2.87Å; C611-F624 PolarHBondContact O-N 3.39Å; Y613-F624 HydrophobicContact CG-CE2 4.3Å; Y613-F624 HydrophobicContact CG-CZ 4.44Å; I622-F624 HydrophobicContact CD1-CZ 4.33Å; F624-R681 WeakPolarHBondContact CA-O 3.23Å; F624-R681 HydrophobicContact CD1-CB 4.03Å; F624-W687 HydrophobicContact CB-CH2 3.94Å; F624-W687 HydrophobicContact CB-CZ2 3.83Å; F624-W687 WeakPolarHBondContact O-CH2 3.06Å; F624-Y709 HydrophobicContact CB-CD2 4.06Å; F624-Y709 HydrophobicContact CB-CE2 3.9Å; F624-Y709 AromaticContact CD1-CD1 3.89Å; F624-Y709 HydrophobicContact CD1-CD1 3.89Å; F624-Y709 AromaticContact CD1-CD2 3.67Å; F624-Y709 HydrophobicContact CD1-CD2 3.67Å; F624-Y709 HydrophobicContact CD1-CE1 4.47Å; F624-Y709 HydrophobicContact CD1-CE2 4.3Å; F624-Y709 AromaticContact CD1-CG 3.47Å; F624-Y709 HydrophobicContact CD1-CG 3.47Å; F624-Y709 VanDerWaalsContact CD1-CG 3.47Å; F624-Y709 AromaticContact CD2-CD2 3.89Å; F624-Y709 HydrophobicContact CD2-CD2 3.89Å; F624-Y709 HydrophobicContact CD2-CE2 4.44Å; F624-Y709 HydrophobicContact CD2-CG 4.45Å; F624-Y709 HydrophobicContact CE1-CD1 4.36Å; F624-Y709 HydrophobicContact CE1-CD2 4.12Å; F624-Y709 AromaticContact CE1-CG 3.71Å; F624-Y709 HydrophobicContact CE1-CG 3.71Å; F624-Y709 HydrophobicContact CE2-CD2 4.28Å; F624-Y709 HydrophobicContact CG-CD1 4.49Å; F624-Y709 AromaticContact CG-CD2 3.58Å; F624-Y709 HydrophobicContact CG-CD2 3.58Å; F624-Y709 AromaticContact CG-CE2 3.96Å; F624-Y709 HydrophobicContact CG-CE2 3.96Å; F624-Y709 AromaticContact CG-CG 3.91Å; F624-Y709 HydrophobicContact CG-CG 3.91Å; F624-Y709 HydrophobicContact CZ-CD2 4.41Å; F624-Y709 HydrophobicContact CZ-CG 4.29Å; F624-I713 HydrophobicContact CE1-CG1 3.98Å; F624-I713 HydrophobicContact CZ-CD1 3.81Å; F624-I713 HydrophobicContact CZ-CG1 3.51Å; F624-M716 HydrophobicContact CD1-CE 4.19Å; F624-M716 HydrophobicContact CE1-CE 3.61Å
625V95.8Very high89Confident0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-128.1123.8-171.8178.30000109.3V607 N609 I610 P627 L662 I680 R681 L682 S683V607-V625 HydrophobicContact CG1-CG1 4.27Å; V607-V625 HydrophobicContact CG2-CG1 4.01Å; N609-V625 WeakPolarHBondContact O-CA 3.3Å; I610-V625 HydrophobicContact CD1-CG2 4.01Å; I610-V625 HydrophobicContact CG1-CG2 4.02Å; V625-P627 WeakPolarHBondContact O-CD 3.37Å; V625-L662 HydrophobicContact CG2-CD1 3.97Å; V625-I680 HydrophobicContact CG2-CG2 4.45Å; V625-R681 PolarHBondContact N-O 3.14Å; V625-L682 HydrophobicContact CB-CD2 4.09Å; V625-L682 HydrophobicContact CG1-CD2 4.19Å; V625-L682 CarbonylContact O-C 3.54Å; V625-L682 WeakPolarHBondContact O-CA 3.29Å; V625-S683 PolarHBondContact O-N 3.35Å
626V93.8Very high89.2Confident8 Ų847.3 Ų47.35%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-86.1109162.5-176.40000106.5D608 N609 W687D608-V626 HydrophobicContact CB-CB 4.44Å; D608-V626 HydrophobicContact CB-CG1 4.13Å; D608-V626 PolarHBondContact N-O 3.28Å; N609-V626 HydrophobicContact CB-CB 4.05Å; N609-V626 HydrophobicContact CB-CG2 3.99Å; N609-V626 PolarHBondContact N-O 3.39Å; N609-V626 PolarHBondContact O-N 3.34Å; V626-W687 HydrophobicContact CG2-CB 4.42Å; V626-W687 VanDerWaalsContact CG2-CD1 3.44Å; V626-W687 HydrophobicContact CG2-CD2 3.46Å; V626-W687 VanDerWaalsContact CG2-CD2 3.46Å; V626-W687 HydrophobicContact CG2-CE3 4.16Å; V626-W687 HydrophobicContact CG2-CG 3.57Å; V626-W687 HydrophobicContact CG2-CH2 4.46Å; V626-W687 HydrophobicContact CG2-CZ2 3.83Å
627P92.9Very high89.6Confident1 Ų152 Ų521%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-80.6148.2-177.725.6-18.9000111.2L606 V625 Q629 L632 W645 L682 S683L606-P627 CarbonylContact O-C 3.48Å; L606-P627 WeakPolarHBondContact O-CA 3.35Å; V625-P627 WeakPolarHBondContact O-CD 3.37Å; P627-Q629 PolarHBondContact O-N 2.93Å; P627-L632 HydrophobicContact CB-CB 4.13Å; P627-L632 HydrophobicContact CB-CD1 4.09Å; P627-L632 HydrophobicContact CB-CD2 3.86Å; P627-L632 HydrophobicContact CB-CG 4.24Å; P627-L632 HydrophobicContact CG-CD2 3.71Å; P627-W645 HydrophobicContact CB-CH2 4.3Å; P627-W645 HydrophobicContact CG-CH2 3.71Å; P627-W645 HydrophobicContact CG-CZ2 4.15Å; P627-L682 HydrophobicContact CB-CD2 4.47Å; P627-L682 HydrophobicContact CG-CB 4.42Å; P627-L682 HydrophobicContact CG-CD2 4.32Å; P627-S683 WeakPolarHBondContact CD-O 3.36Å
628N89.8Confident90Very high39 Ų3949.9 Ų49.921%0.20924%0.235CC..  trans-68.3120.4169.4-173.4-81000109.5P605 L606 D608 K630 E631 L632P605-N628 VanDerWaalsContact O-CB 3.23Å; P605-N628 WeakPolarHBondContact O-CB 3.48Å; L606-N628 PolarHBondContact O-N 3.19Å; D608-N628 PolarHBondContact OD1-ND2 3.08Å; D608-N628 WeakPolarHBondContact OD2-CA 3.28Å; N628-K630 VanDerWaalsContact C-N 3.32Å; N628-K630 PolarHBondContact O-N 3.45Å; N628-K630 PolarHBondContact OD1-N 3.23Å; N628-E631 HydrophobicContact CB-CB 4.18Å; N628-E631 HydrophobicContact CB-CG 4.29Å; N628-E631 PolarHBondContact O-N 2.89Å; N628-E631 PolarHBondContact OD1-N 3.31Å; N628-L632 WeakPolarHBondContact O-CB 3.23Å; N628-L632 PolarHBondContact O-N 3.08Å
629Q87.3Confident90.2Very high111 Ų11152.9 Ų52.952%0.51925%0.247SC..Hα-helixtrans-56.6-44.4-171.9-171.5174.216.500113P627 T633 W645P627-Q629 PolarHBondContact O-N 2.93Å; Q629-T633 WeakPolarHBondContact O-CB 3.38Å; Q629-T633 PolarHBondContact O-N 3.36Å; Q629-T633 VanDerWaalsContact O-N 3.1Å; Q629-T633 PolarHBondContact O-OG1 3.5Å; Q629-W645 VanDerWaalsContact CA-CH2 3.49Å; Q629-W645 HydrophobicContact CB-CH2 3.87Å; Q629-W645 HydrophobicContact CB-CZ2 4.32Å; Q629-W645 HydrophobicContact CB-CZ3 3.99Å; Q629-W645 HydrophobicContact CG-CD2 4.13Å; Q629-W645 HydrophobicContact CG-CE3 3.78Å; Q629-W645 HydrophobicContact CG-CH2 4.04Å; Q629-W645 HydrophobicContact CG-CZ2 4.4Å; Q629-W645 HydrophobicContact CG-CZ3 3.72Å
630K86.6Confident90.3Very high173 Ų17352.6 Ų52.675%0.75225%0.254SS*.Hα-helixtrans-67.2-47-178.2-66-176.9179.4-179.20111.7N628 E634N628-K630 VanDerWaalsContact C-N 3.32Å; N628-K630 PolarHBondContact O-N 3.45Å; N628-K630 PolarHBondContact OD1-N 3.23Å; K630-E634 WeakPolarHBondContact O-CB 3.38Å; K630-E634 PolarHBondContact O-N 2.76Å; K630-E634 VanDerWaalsContact O-N 3.08Å
631E88.3Confident90.2Very high80 Ų8052.2 Ų52.237%0.37426%0.255SS..Hα-helixtrans-69.1-38.1-177.2-64.3-63.8150.800112P605 L606 N628 E634 L635P605-E631 HydrophobicContact CB-CG 4.2Å; P605-E631 WeakPolarHBondContact O-CG 3.46Å; L606-E631 HydrophobicContact CD1-CB 4.11Å; N628-E631 HydrophobicContact CB-CB 4.18Å; N628-E631 HydrophobicContact CB-CG 4.29Å; N628-E631 PolarHBondContact O-N 2.89Å; N628-E631 PolarHBondContact OD1-N 3.31Å; E631-E634 PolarHBondContact O-N 3.36Å; E631-L635 WeakPolarHBondContact O-CB 3.44Å; E631-L635 PolarHBondContact O-N 3.33Å
632L89.9Confident89.9Confident0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-67.6-43.5177.1-169.577.8000111.6L606 P627 N628 E634 L635 A636 W645 M654 V658 L682L606-L632 HydrophobicContact CD1-CB 4.07Å; L606-L632 HydrophobicContact CD1-CD1 3.89Å; L606-L632 HydrophobicContact CG-CD1 4.49Å; P627-L632 HydrophobicContact CB-CB 4.13Å; P627-L632 HydrophobicContact CB-CD1 4.09Å; P627-L632 HydrophobicContact CB-CD2 3.86Å; P627-L632 HydrophobicContact CB-CG 4.24Å; P627-L632 HydrophobicContact CG-CD2 3.71Å; N628-L632 WeakPolarHBondContact O-CB 3.23Å; N628-L632 PolarHBondContact O-N 3.08Å; L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 2.87Å; L632-L635 PolarHBondContact O-N 2.84Å; L632-A636 WeakPolarHBondContact O-CB 3.26Å; L632-A636 PolarHBondContact O-N 3.38Å; L632-W645 HydrophobicContact CB-CZ3 4.09Å; L632-W645 HydrophobicContact CD2-CE3 4.36Å; L632-W645 HydrophobicContact CD2-CH2 3.9Å; L632-W645 HydrophobicContact CD2-CZ3 3.51Å; L632-W645 HydrophobicContact CG-CZ3 4.37Å; L632-M654 HydrophobicContact CD1-CE 3.39Å; L632-M654 HydrophobicContact CG-CE 3.79Å; L632-V658 HydrophobicContact CD1-CG2 3.6Å; L632-L682 HydrophobicContact CD1-CD1 4.39Å
633T88.1Confident89.3Confident69 Ų6963.5 Ų63.542%0.42332%0.315SS..Hα-helixtrans-62.9-39176.7-58.20000111.5Q629 A636 R637Q629-T633 WeakPolarHBondContact O-CB 3.38Å; Q629-T633 PolarHBondContact O-N 3.36Å; Q629-T633 VanDerWaalsContact O-N 3.1Å; Q629-T633 PolarHBondContact O-OG1 3.5Å; T633-A636 PolarHBondContact O-N 3.4Å; T633-R637 WeakPolarHBondContact O-CB 3.36Å; T633-R637 PolarHBondContact O-N 3.48Å
634E88.4Confident89Confident65 Ų6566.8 Ų66.830%0.30434%0.335SS..Hα-helixtrans-68.4-37175.6-179.458.1-164.400112.3K630 E631 L632 R637 K638K630-E634 WeakPolarHBondContact O-CB 3.38Å; K630-E634 PolarHBondContact O-N 2.76Å; K630-E634 VanDerWaalsContact O-N 3.08Å; E631-E634 PolarHBondContact O-N 3.36Å; L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 2.87Å; E634-R637 PolarHBondContact O-N 2.91Å; E634-R637 IonicContact OE1-CZ 3.62Å; E634-R637 IonicContact OE1-NE 3.5Å; E634-R637 IonicContact OE1-NH2 3.54Å; E634-R637 PolarHBondContact OE1-NH2 2.88Å; E634-R637 IonicContact OE2-CZ 3.13Å; E634-R637 IonicContact OE2-NE 2.83Å; E634-R637 PolarHBondContact OE2-NE 2.96Å; E634-R637 IonicContact OE2-NH2 2.66Å; E634-K638 WeakPolarHBondContact O-CG 3.49Å; E634-K638 PolarHBondContact O-N 3.45Å; E634-K638 WeakPolarHBondContact OE1-CE 3.46Å; E634-K638 IonicContact OE1-NZ 3.33Å
635L88.4Confident88.7Confident32 Ų3268.8 Ų68.817%0.16834%0.342CS..Hα-helixtrans-63.5-46.1172.9-178.663.1000111.4L606 E631 L632 R637 K638 K639 M654 V658L606-L635 HydrophobicContact CD1-CD2 4.05Å; L606-L635 HydrophobicContact CD2-CD2 3.85Å; E631-L635 WeakPolarHBondContact O-CB 3.44Å; E631-L635 PolarHBondContact O-N 3.33Å; L632-L635 PolarHBondContact O-N 2.84Å; L635-R637 VanDerWaalsContact C-N 3.34Å; L635-R637 PolarHBondContact O-N 3.4Å; L635-K638 PolarHBondContact O-N 3.48Å; L635-K639 HydrophobicContact CD1-CG 4.44Å; L635-K639 WeakPolarHBondContact O-CG 3.49Å; L635-K639 PolarHBondContact O-N 2.87Å; L635-M654 HydrophobicContact CD2-CE 4.43Å; L635-V658 HydrophobicContact CD2-CG2 4.4Å
636A89.1Confident88.3Confident2 Ų273.8 Ų73.82%0.01737%0.366CS..Hα-helixtrans-58.9-45.6176.300000111.2L632 T633 K638 K639 G640 L641 L648 M654L632-A636 WeakPolarHBondContact O-CB 3.26Å; L632-A636 PolarHBondContact O-N 3.38Å; T633-A636 PolarHBondContact O-N 3.4Å; A636-K638 PolarHBondContact O-N 3.45Å; A636-K639 CarbonylContact O-C 3.58Å; A636-K639 PolarHBondContact O-N 3.38Å; A636-K639 VanDerWaalsContact O-N 3.09Å; A636-G640 PolarHBondContact O-N 2.65Å; A636-L641 HydrophobicContact CB-CB 4.25Å; A636-L641 PolarHBondContact O-N 3Å; A636-L648 HydrophobicContact CB-CD1 4.08Å; A636-L648 HydrophobicContact CB-CD2 3.8Å; A636-M654 HydrophobicContact CB-CE 4.18Å; A636-M654 HydrophobicContact CB-SD 3.88Å
637R89.1Confident88Confident162 Ų16278.7 Ų78.761%0.61139%0.388SS*.Hα-helixtrans-58-45175.9-169.1-169.671.379.10.4112.2T633 E634 L635 K639 G640T633-R637 WeakPolarHBondContact O-CB 3.36Å; T633-R637 PolarHBondContact O-N 3.48Å; E634-R637 PolarHBondContact O-N 2.91Å; E634-R637 IonicContact OE1-CZ 3.62Å; E634-R637 IonicContact OE1-NE 3.5Å; E634-R637 IonicContact OE1-NH2 3.54Å; E634-R637 PolarHBondContact OE1-NH2 2.88Å; E634-R637 IonicContact OE2-CZ 3.13Å; E634-R637 IonicContact OE2-NE 2.83Å; E634-R637 PolarHBondContact OE2-NE 2.96Å; E634-R637 IonicContact OE2-NH2 2.66Å; L635-R637 VanDerWaalsContact C-N 3.34Å; L635-R637 PolarHBondContact O-N 3.4Å; R637-K639 VanDerWaalsContact C-N 3.25Å; R637-K639 PolarHBondContact O-N 3.06Å; R637-G640 PolarHBondContact O-N 3.25Å
638K89.4Confident87.9Confident142 Ų14279.2 Ų79.262%0.61739%0.391SS*.Hα-helixtrans-64.4-29.4177.4-76173.2-177.9164.70113.1E634 L635 A636E634-K638 WeakPolarHBondContact O-CG 3.49Å; E634-K638 PolarHBondContact O-N 3.45Å; E634-K638 WeakPolarHBondContact OE1-CE 3.46Å; E634-K638 IonicContact OE1-NZ 3.33Å; L635-K638 PolarHBondContact O-N 3.48Å; A636-K638 PolarHBondContact O-N 3.45Å
639K88.2Confident87.9Confident112 Ų11277.4 Ų77.449%0.48738%0.381SS..Hα-helixtrans-92.5-1180-65.7-74.4172.5156.10113.4L635 A636 R637 L641 E657L635-K639 HydrophobicContact CD1-CG 4.44Å; L635-K639 WeakPolarHBondContact O-CG 3.49Å; L635-K639 PolarHBondContact O-N 2.87Å; A636-K639 CarbonylContact O-C 3.58Å; A636-K639 PolarHBondContact O-N 3.38Å; A636-K639 VanDerWaalsContact O-N 3.09Å; R637-K639 VanDerWaalsContact C-N 3.25Å; R637-K639 PolarHBondContact O-N 3.06Å; K639-L641 VanDerWaalsContact C-N 3.28Å; K639-L641 HydrophobicContact CB-CD1 4.16Å; K639-L641 HydrophobicContact CB-CG 4.27Å; K639-L641 PolarHBondContact O-N 3.29Å; K639-E657 WeakPolarHBondContact CE-OE2 3.22Å; K639-E657 IonicContact NZ-OE2 3.87Å; K639-E657 PolarHBondContact NZ-OE2 3.43Å
640G87.3Confident87.9Confident60 Ų6075.8 Ų75.862%0.61938%0.376SS*.THydrogen-bonded Turntrans75.913.7-179.900000114.3A636 R637A636-G640 PolarHBondContact O-N 2.65Å; R637-G640 PolarHBondContact O-N 3.25Å
641L86.3Confident88.1Confident39 Ų3969.2 Ų69.220%0.20435%0.352CS..  trans-85.7129.8-179.5-63.1170.7000109.8A636 K639 L648 E653 M654A636-L641 HydrophobicContact CB-CB 4.25Å; A636-L641 PolarHBondContact O-N 3Å; K639-L641 VanDerWaalsContact C-N 3.28Å; K639-L641 HydrophobicContact CB-CD1 4.16Å; K639-L641 HydrophobicContact CB-CG 4.27Å; K639-L641 PolarHBondContact O-N 3.29Å; L641-L648 HydrophobicContact CB-CD2 4.43Å; L641-E653 HydrophobicContact CD1-CB 4.36Å; L641-E653 HydrophobicContact CD2-CB 4.48Å; L641-E653 WeakPolarHBondContact CD2-OE2 3.34Å; L641-M654 HydrophobicContact CB-SD 4.29Å; L641-M654 HydrophobicContact CD1-CG 3.9Å; L641-M654 HydrophobicContact CD1-SD 3.28Å; L641-M654 WeakPolarHBondContact CD1-SD 3.1Å; L641-M654 HydrophobicContact CG-SD 4.39Å
642K83.7Confident88.1Confident202 Ų20269.1 Ų69.188%0.87836%0.359SS*.  trans-121.3139.5-179.3-64-177.6-177.71780109.4
643G83.5Confident88.1Confident36 Ų3674.8 Ų74.837%0.37139%0.386SS..  trans171170.3175.800000111.4E647G643-E647 WeakPolarHBondContact CA-OE2 3.42Å
644T88.4Confident88.3Confident68 Ų6871.5 Ų71.542%0.41737%0.366SS..  trans-64.5166.8166.7620000111E646 E647 L648T644-E646 VanDerWaalsContact C-N 3.27Å; T644-E646 PolarHBondContact O-N 3.34Å; T644-E647 PolarHBondContact N-OE2 3.36Å; T644-E647 PolarHBondContact O-N 3.45Å; T644-E647 WeakPolarHBondContact OG1-CB 3.07Å; T644-E647 WeakPolarHBondContact OG1-CG 3.39Å; T644-E647 PolarHBondContact OG1-N 2.84Å; T644-E647 PolarHBondContact OG1-OE1 3.14Å; T644-E647 PolarHBondContact OG1-OE2 3.45Å; T644-L648 WeakPolarHBondContact O-CG 3.42Å; T644-L648 PolarHBondContact O-N 3.13Å
645W87.9Confident88.6Confident43 Ų4369.2 Ų69.216%0.16336%0.355CS..Hα-helixtrans-57.4-43.6178.7170.7-115.5000111.8P627 Q629 L632 L648 C649 P684P627-W645 HydrophobicContact CB-CH2 4.3Å; P627-W645 HydrophobicContact CG-CH2 3.71Å; P627-W645 HydrophobicContact CG-CZ2 4.15Å; Q629-W645 VanDerWaalsContact CA-CH2 3.49Å; Q629-W645 HydrophobicContact CB-CH2 3.87Å; Q629-W645 HydrophobicContact CB-CZ2 4.32Å; Q629-W645 HydrophobicContact CB-CZ3 3.99Å; Q629-W645 HydrophobicContact CG-CD2 4.13Å; Q629-W645 HydrophobicContact CG-CE3 3.78Å; Q629-W645 HydrophobicContact CG-CH2 4.04Å; Q629-W645 HydrophobicContact CG-CZ2 4.4Å; Q629-W645 HydrophobicContact CG-CZ3 3.72Å; L632-W645 HydrophobicContact CB-CZ3 4.09Å; L632-W645 HydrophobicContact CD2-CE3 4.36Å; L632-W645 HydrophobicContact CD2-CH2 3.9Å; L632-W645 HydrophobicContact CD2-CZ3 3.51Å; L632-W645 HydrophobicContact CG-CZ3 4.37Å; W645-L648 PolarHBondContact O-N 3.25Å; W645-C649 PolarHBondContact O-N 2.98Å; W645-C649 VanDerWaalsContact O-N 3.13Å; W645-C649 PolarHBondContact O-SG 3.28Å; W645-C649 VanDerWaalsContact O-SG 3.35Å; W645-P684 PolarHBondContact NE1-O 2.86Å
646E88.3Confident88.8Confident106 Ų10672 Ų7250%0.49537%0.37SS..Hα-helixtrans-65.7-42.3176.9-63.978.6-166.900111.5T644 L648 C649 N650 P684T644-E646 VanDerWaalsContact C-N 3.27Å; T644-E646 PolarHBondContact O-N 3.34Å; E646-L648 PolarHBondContact O-N 3.05Å; E646-C649 PolarHBondContact O-N 3.48Å; E646-N650 WeakPolarHBondContact O-CB 3.47Å; E646-N650 PolarHBondContact O-N 3.35Å; E646-N650 PolarHBondContact O-ND2 3.21Å; E646-P684 HydrophobicContact CG-CB 4.41Å
647E88.1Confident88.9Confident111 Ų11173.5 Ų73.552%0.51938%0.376SS..Hα-helixtrans-62.8-41.7176.9-76.1159.9-158.400112.2G643 T644 N650 S651G643-E647 WeakPolarHBondContact CA-OE2 3.42Å; T644-E647 PolarHBondContact N-OE2 3.36Å; T644-E647 PolarHBondContact O-N 3.45Å; T644-E647 WeakPolarHBondContact OG1-CB 3.07Å; T644-E647 WeakPolarHBondContact OG1-CG 3.39Å; T644-E647 PolarHBondContact OG1-N 2.84Å; T644-E647 PolarHBondContact OG1-OE1 3.14Å; T644-E647 PolarHBondContact OG1-OE2 3.45Å; E647-N650 CarbonylContact O-C 3.5Å; E647-N650 PolarHBondContact O-N 2.71Å; E647-N650 VanDerWaalsContact O-N 3.16Å; E647-S651 PolarHBondContact O-N 3.03Å
648L89.3Confident89.1Confident12 Ų1265.8 Ų65.86%0.06335%0.347CS..Hα-helixtrans-64-41.3177.5-71.3175.2000111.8A636 L641 T644 W645 E646 N650 S651 M654A636-L648 HydrophobicContact CB-CD1 4.08Å; A636-L648 HydrophobicContact CB-CD2 3.8Å; L641-L648 HydrophobicContact CB-CD2 4.43Å; T644-L648 WeakPolarHBondContact O-CG 3.42Å; T644-L648 PolarHBondContact O-N 3.13Å; W645-L648 PolarHBondContact O-N 3.25Å; E646-L648 PolarHBondContact O-N 3.05Å; L648-N650 VanDerWaalsContact C-N 3.27Å; L648-N650 PolarHBondContact O-N 3.47Å; L648-S651 PolarHBondContact O-N 3.24Å; L648-M654 HydrophobicContact CD2-CG 4.16Å; L648-M654 HydrophobicContact CD2-SD 4.47Å; L648-M654 VanDerWaalsContact O-CB 3.25Å; L648-M654 WeakPolarHBondContact O-CB 3.09Å; L648-M654 WeakPolarHBondContact O-CG 3.23Å
649C89.6Confident89.4Confident0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-70.4-24.9175.3-64.70000112.5W645 E646 R681 L682 P684W645-C649 PolarHBondContact O-N 2.98Å; W645-C649 VanDerWaalsContact O-N 3.13Å; W645-C649 PolarHBondContact O-SG 3.28Å; W645-C649 VanDerWaalsContact O-SG 3.35Å; E646-C649 PolarHBondContact O-N 3.48Å; C649-R681 PolarHBondContact O-NH1 2.98Å; C649-L682 HydrophobicContact CB-CB 4.06Å; C649-L682 WeakPolarHBondContact O-CB 3.4Å; C649-P684 HydrophobicContact CB-CB 3.99Å; C649-P684 HydrophobicContact CB-CG 4.38Å
650N88.9Confident89.6Confident78 Ų7860.3 Ų60.342%0.41733%0.325SS..Hα-helixtrans-89.9-7.4178.1-74-54.4000114.6E646 E647 L648 R681E646-N650 WeakPolarHBondContact O-CB 3.47Å; E646-N650 PolarHBondContact O-N 3.35Å; E646-N650 PolarHBondContact O-ND2 3.21Å; E647-N650 CarbonylContact O-C 3.5Å; E647-N650 PolarHBondContact O-N 2.71Å; E647-N650 VanDerWaalsContact O-N 3.16Å; L648-N650 VanDerWaalsContact C-N 3.27Å; L648-N650 PolarHBondContact O-N 3.47Å; N650-R681 PolarHBondContact OD1-NH1 3.3Å; N650-R681 VanDerWaalsContact OD1-NH1 3.13Å; N650-R681 PolarHBondContact OD1-NH2 3.32Å
651S90Very high89.8Confident34 Ų3459.8 Ų59.824%0.23831%0.31CS..  trans-78125.5-178.2172.80000112.6E647 L648 E653 M654 E655E647-S651 PolarHBondContact O-N 3.03Å; L648-S651 PolarHBondContact O-N 3.24Å; S651-E653 PolarHBondContact O-N 3.18Å; S651-E653 PolarHBondContact OG-N 3.44Å; S651-M654 PolarHBondContact O-N 3.14Å; S651-M654 PolarHBondContact OG-N 3.08Å; S651-E655 PolarHBondContact O-N 3.41Å
652C88.4Confident90.1Very high79 Ų7958.1 Ų58.153%0.53430%0.301SS..Hα-helixtrans-59.9-32.9172.6-64.40000112.6E655 N656C652-E655 PolarHBondContact O-N 3.45Å; C652-N656 PolarHBondContact O-N 3.04Å; C652-N656 PolarHBondContact O-ND2 2.92Å; C652-N656 VanDerWaalsContact O-ND2 3.14Å
653E90.4Very high90.5Very high119 Ų11950 Ų5056%0.55627%0.27SS*.Hα-helixtrans-67.3-41.9177.9-64.9174.516500110.7L641 S651 N656 E657L641-E653 HydrophobicContact CD1-CB 4.36Å; L641-E653 HydrophobicContact CD2-CB 4.48Å; L641-E653 WeakPolarHBondContact CD2-OE2 3.34Å; S651-E653 PolarHBondContact O-N 3.18Å; S651-E653 PolarHBondContact OG-N 3.44Å; E653-N656 PolarHBondContact O-N 3.01Å; E653-E657 PolarHBondContact O-N 2.62Å; E653-E657 VanDerWaalsContact O-N 3.08Å
654M92.3Very high90.8Very high0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-65.7-43.8174.5-76.5-57.8-54.100112L632 L635 A636 L641 L648 S651 N656 E657 V658 L682L632-M654 HydrophobicContact CD1-CE 3.39Å; L632-M654 HydrophobicContact CG-CE 3.79Å; L635-M654 HydrophobicContact CD2-CE 4.43Å; A636-M654 HydrophobicContact CB-CE 4.18Å; A636-M654 HydrophobicContact CB-SD 3.88Å; L641-M654 HydrophobicContact CB-SD 4.29Å; L641-M654 HydrophobicContact CD1-CG 3.9Å; L641-M654 HydrophobicContact CD1-SD 3.28Å; L641-M654 WeakPolarHBondContact CD1-SD 3.1Å; L641-M654 HydrophobicContact CG-SD 4.39Å; L648-M654 HydrophobicContact CD2-CG 4.16Å; L648-M654 HydrophobicContact CD2-SD 4.47Å; L648-M654 VanDerWaalsContact O-CB 3.25Å; L648-M654 WeakPolarHBondContact O-CB 3.09Å; L648-M654 WeakPolarHBondContact O-CG 3.23Å; S651-M654 PolarHBondContact O-N 3.14Å; S651-M654 PolarHBondContact OG-N 3.08Å; M654-N656 VanDerWaalsContact C-N 3.26Å; M654-N656 PolarHBondContact O-N 3.47Å; M654-E657 PolarHBondContact O-N 3.26Å; M654-V658 WeakPolarHBondContact O-CG2 3.45Å; M654-V658 PolarHBondContact O-N 2.92Å; M654-L682 HydrophobicContact CB-CD1 4.09Å
655E93.5Very high90.8Very high16 Ų1652.1 Ų52.18%0.07527%0.268CS..Hα-helixtrans-54.7-43.7174.5-75.1179.2171.200111.1S651 C652 V658 L659 I680 R681 L682 R715S651-E655 PolarHBondContact O-N 3.41Å; C652-E655 PolarHBondContact O-N 3.45Å; E655-V658 PolarHBondContact O-N 2.89Å; E655-L659 VanDerWaalsContact O-CB 3.24Å; E655-L659 WeakPolarHBondContact O-CB 3.48Å; E655-L659 PolarHBondContact O-N 3.48Å; E655-I680 HydrophobicContact CB-CG1 4.26Å; E655-I680 WeakPolarHBondContact O-CD1 3.38Å; E655-R681 WeakPolarHBondContact OE1-CD 3.46Å; E655-R681 IonicContact OE1-NH1 3.52Å; E655-R681 PolarHBondContact OE1-NH1 3.44Å; E655-L682 HydrophobicContact CG-CD1 4.26Å; E655-L682 HydrophobicContact CG-CG 4.04Å; E655-R715 IonicContact OE1-CZ 2.83Å; E655-R715 IonicContact OE1-NH1 3.15Å; E655-R715 IonicContact OE1-NH2 3.19Å; E655-R715 PolarHBondContact OE1-NH2 2.93Å; E655-R715 IonicContact OE2-CZ 2.69Å; E655-R715 IonicContact OE2-NH1 2.69Å; E655-R715 IonicContact OE2-NH2 3.83Å; E655-R715 PolarHBondContact OE2-NH2 3.4Å
656N92.1Very high90.8Very high91 Ų9150.1 Ų50.149%0.48726%0.26SS..Hα-helixtrans-66.4-40.2178.1-74.6-34.6000113.4C652 E653 M654 L659 K660C652-N656 PolarHBondContact O-N 3.04Å; C652-N656 PolarHBondContact O-ND2 2.92Å; C652-N656 VanDerWaalsContact O-ND2 3.14Å; E653-N656 PolarHBondContact O-N 3.01Å; M654-N656 VanDerWaalsContact C-N 3.26Å; M654-N656 PolarHBondContact O-N 3.47Å; N656-L659 PolarHBondContact O-N 3.14Å; N656-K660 WeakPolarHBondContact O-CG 3.29Å; N656-K660 PolarHBondContact O-N 2.96Å; N656-K660 VanDerWaalsContact O-N 3.14Å
657E93.2Very high90.7Very high33 Ų3350.4 Ų50.415%0.15426%0.264CS..Hα-helixtrans-68.4-40.4177.6-71-59.9121.800111.8K639 E653 M654 K660 V661K639-E657 WeakPolarHBondContact CE-OE2 3.22Å; K639-E657 IonicContact NZ-OE2 3.87Å; K639-E657 PolarHBondContact NZ-OE2 3.43Å; E653-E657 PolarHBondContact O-N 2.62Å; E653-E657 VanDerWaalsContact O-N 3.08Å; M654-E657 PolarHBondContact O-N 3.26Å; E657-K660 PolarHBondContact O-N 3Å; E657-K660 IonicContact OE1-NZ 3.84Å; E657-K660 PolarHBondContact OE1-NZ 3.3Å; E657-V661 PolarHBondContact O-N 3.21Å
658V93.4Very high90.5Very high0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-65.5-41.5174.4175.60000110.8L606 L632 L635 M654 E655 K660 V661 L662 I680 L682L606-V658 HydrophobicContact CD2-CB 4.08Å; L606-V658 HydrophobicContact CD2-CG1 3.79Å; L606-V658 HydrophobicContact CD2-CG2 3.72Å; L606-V658 HydrophobicContact CG-CG2 4.46Å; L632-V658 HydrophobicContact CD1-CG2 3.6Å; L635-V658 HydrophobicContact CD2-CG2 4.4Å; M654-V658 WeakPolarHBondContact O-CG2 3.45Å; M654-V658 PolarHBondContact O-N 2.92Å; E655-V658 PolarHBondContact O-N 2.89Å; V658-K660 VanDerWaalsContact C-N 3.31Å; V658-K660 PolarHBondContact O-N 3.49Å; V658-V661 WeakPolarHBondContact O-CB 3.4Å; V658-V661 PolarHBondContact O-N 3.25Å; V658-V661 VanDerWaalsContact O-N 3.14Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.2Å; V658-L662 WeakPolarHBondContact O-CG 3.45Å; V658-L662 PolarHBondContact O-N 2.8Å; V658-I680 HydrophobicContact CB-CD1 3.73Å; V658-I680 HydrophobicContact CG1-CD1 3.58Å; V658-L682 HydrophobicContact CB-CD2 4.16Å; V658-L682 HydrophobicContact CG1-CD2 3.94Å; V658-L682 HydrophobicContact CG2-CD1 4.08Å; V658-L682 HydrophobicContact CG2-CD2 4.04Å
659L94.5Very high90Very high27 Ų2751.3 Ų51.314%0.14129%0.287CS..Hα-helixtrans-57.9-40.4177.1175.765.2000112.6E655 N656 V661 L662 S663 P677 V678 I680E655-L659 VanDerWaalsContact O-CB 3.24Å; E655-L659 WeakPolarHBondContact O-CB 3.48Å; E655-L659 PolarHBondContact O-N 3.48Å; N656-L659 PolarHBondContact O-N 3.14Å; L659-V661 PolarHBondContact O-N 3.26Å; L659-L662 PolarHBondContact O-N 2.95Å; L659-S663 WeakPolarHBondContact O-CB 3.31Å; L659-S663 PolarHBondContact O-N 3.38Å; L659-S663 PolarHBondContact O-OG 3.01Å; L659-P677 VanDerWaalsContact CD1-O 3.22Å; L659-P677 WeakPolarHBondContact CD1-O 3.24Å; L659-V678 WeakPolarHBondContact CD2-O 3.46Å; L659-I680 HydrophobicContact CB-CD1 4.13Å; L659-I680 HydrophobicContact CB-CG1 4.23Å; L659-I680 HydrophobicContact CD1-CG2 4.1Å
660K93Very high89.6Confident112 Ų11256 Ų5649%0.48732%0.319SS..Hα-helixtrans-59.5-46.9175.4-71.2169.9-171.8170.10111.1N656 E657 V658 L662 S663 E664N656-K660 WeakPolarHBondContact O-CG 3.29Å; N656-K660 PolarHBondContact O-N 2.96Å; N656-K660 VanDerWaalsContact O-N 3.14Å; E657-K660 PolarHBondContact O-N 3Å; E657-K660 IonicContact OE1-NZ 3.84Å; E657-K660 PolarHBondContact OE1-NZ 3.3Å; V658-K660 VanDerWaalsContact C-N 3.31Å; V658-K660 PolarHBondContact O-N 3.49Å; K660-L662 PolarHBondContact O-N 2.83Å; K660-S663 PolarHBondContact O-N 2.85Å; K660-E664 WeakPolarHBondContact O-CG 3.22Å; K660-E664 PolarHBondContact O-N 3.07Å
661V91.8Very high89.4Confident50 Ų5052.9 Ų52.930%0.30330%0.303SS..Hα-helixtrans-61.7-44.1177.9177.50000111.2L606 E657 V658 L659 S663 A665L606-V661 HydrophobicContact CD2-CB 4.41Å; L606-V661 HydrophobicContact CD2-CG1 4.38Å; E657-V661 PolarHBondContact O-N 3.21Å; V658-V661 WeakPolarHBondContact O-CB 3.4Å; V658-V661 PolarHBondContact O-N 3.25Å; V658-V661 VanDerWaalsContact O-N 3.14Å; L659-V661 PolarHBondContact O-N 3.26Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 2.91Å; V661-A665 WeakPolarHBondContact O-CB 3.35Å; V661-A665 PolarHBondContact O-N 2.76Å; V661-A665 VanDerWaalsContact O-N 3.12Å
662L92.7Very high89.1Confident3 Ų356.6 Ų56.62%0.01632%0.316CS..Hα-helixtrans-62-41.2175.9-67.1173.4000111.9L601 L604 V607 I610 V625 V658 L659 K660 A665 A666 I680L601-L662 HydrophobicContact CB-CD2 4.45Å; L601-L662 HydrophobicContact CD2-CD2 4.48Å; L601-L662 WeakPolarHBondContact CD2-O 3.48Å; L604-L662 HydrophobicContact CD1-CD2 3.53Å; V607-L662 HydrophobicContact CG2-CD2 3.77Å; I610-L662 HydrophobicContact CD1-CD2 4.41Å; V625-L662 HydrophobicContact CG2-CD1 3.97Å; V658-L662 HydrophobicContact CG1-CD1 4.04Å; V658-L662 HydrophobicContact CG1-CG 4.2Å; V658-L662 WeakPolarHBondContact O-CG 3.45Å; V658-L662 PolarHBondContact O-N 2.8Å; L659-L662 PolarHBondContact O-N 2.95Å; K660-L662 PolarHBondContact O-N 2.83Å; L662-A665 WeakPolarHBondContact O-CB 3.33Å; L662-A665 PolarHBondContact O-N 2.93Å; L662-A666 WeakPolarHBondContact O-CB 3.28Å; L662-A666 PolarHBondContact O-N 3.34Å; L662-I680 HydrophobicContact CD1-CD1 3.87Å; L662-I680 HydrophobicContact CD1-CG2 3.79Å
663S91.6Very high89Confident33 Ų3361.7 Ų61.723%0.23133%0.329CS..Hα-helixtrans-66.3-44.4-178.8-57.70000111.6L659 K660 V661 A665 A666 I667L659-S663 WeakPolarHBondContact O-CB 3.31Å; L659-S663 PolarHBondContact O-N 3.38Å; L659-S663 PolarHBondContact O-OG 3.01Å; K660-S663 PolarHBondContact O-N 2.85Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 2.91Å; S663-A665 VanDerWaalsContact C-N 3.28Å; S663-A665 PolarHBondContact O-N 2.84Å; S663-A666 WeakPolarHBondContact O-CB 3.41Å; S663-A666 PolarHBondContact O-N 3Å; S663-I667 VanDerWaalsContact O-CG1 3.3Å; S663-I667 WeakPolarHBondContact O-CG1 3.4Å; S663-I667 PolarHBondContact O-N 2.79Å
664E90.3Very high88.7Confident131 Ų13158.9 Ų58.961%0.61232%0.316SS*.Hα-helixtrans-60.9-39.8175.4-71.8174.8-171.700112K660 S668K660-E664 WeakPolarHBondContact O-CG 3.22Å; K660-E664 PolarHBondContact O-N 3.07Å; E664-S668 WeakPolarHBondContact O-CB 3.25Å; E664-S668 PolarHBondContact O-N 3.36Å; E664-S668 PolarHBondContact O-OG 3.41Å
665A87.3Confident88.5Confident17 Ų1759.4 Ų59.414%0.1432%0.318CS..Hα-helixtrans-68-42.2176.400000112.6L601 L604 V661 L662 S663 I667 S668 A669L601-A665 HydrophobicContact CD2-CB 4.09Å; L604-A665 HydrophobicContact CD1-CB 3.51Å; L604-A665 HydrophobicContact CD2-CB 3.45Å; L604-A665 VanDerWaalsContact CD2-CB 3.45Å; L604-A665 HydrophobicContact CG-CB 3.93Å; V661-A665 WeakPolarHBondContact O-CB 3.35Å; V661-A665 PolarHBondContact O-N 2.76Å; V661-A665 VanDerWaalsContact O-N 3.12Å; L662-A665 WeakPolarHBondContact O-CB 3.33Å; L662-A665 PolarHBondContact O-N 2.93Å; S663-A665 VanDerWaalsContact C-N 3.28Å; S663-A665 PolarHBondContact O-N 2.84Å; A665-I667 PolarHBondContact O-N 3.33Å; A665-S668 CarbonylContact O-C 3.49Å; A665-S668 WeakPolarHBondContact O-CB 3.36Å; A665-S668 PolarHBondContact O-N 2.66Å; A665-A669 WeakPolarHBondContact O-CB 3.25Å; A665-A669 PolarHBondContact O-N 2.68Å
666A87.3Confident88.4Confident0 Ų059.6 Ų59.60%032%0.319CS..Hα-helixtrans-58.5-46.8176.500000111.6L601 L662 S663 S668 A669 S670 L671 I676L601-A666 HydrophobicContact CD2-CB 4.03Å; L662-A666 WeakPolarHBondContact O-CB 3.28Å; L662-A666 PolarHBondContact O-N 3.34Å; S663-A666 WeakPolarHBondContact O-CB 3.41Å; S663-A666 PolarHBondContact O-N 3Å; A666-S668 VanDerWaalsContact C-N 3.33Å; A666-S668 PolarHBondContact O-N 3.23Å; A666-A669 CarbonylContact O-C 3.45Å; A666-A669 PolarHBondContact O-N 3.22Å; A666-A669 VanDerWaalsContact O-N 3.16Å; A666-S670 PolarHBondContact O-N 2.94Å; A666-L671 HydrophobicContact CB-CB 4.33Å; A666-L671 HydrophobicContact CB-CD1 3.89Å; A666-L671 HydrophobicContact CB-CG 4.49Å; A666-L671 WeakPolarHBondContact O-CB 3.48Å; A666-L671 PolarHBondContact O-N 2.8Å; A666-I676 HydrophobicContact CB-CB 4.3Å; A666-I676 HydrophobicContact CB-CD1 3.87Å; A666-I676 HydrophobicContact CB-CG1 3.79Å; A666-I676 HydrophobicContact CB-CG2 3.8Å
667I87.3Confident88.5Confident112 Ų11255.4 Ų55.457%0.57430%0.297SS*.Hα-helixtrans-62-43.5176.3-65.1164.7000110.3S663 A665 A669 S670 I676S663-I667 VanDerWaalsContact O-CG1 3.3Å; S663-I667 WeakPolarHBondContact O-CG1 3.4Å; S663-I667 PolarHBondContact O-N 2.79Å; A665-I667 PolarHBondContact O-N 3.33Å; I667-A669 PolarHBondContact O-N 2.83Å; I667-S670 PolarHBondContact O-N 3.02Å; I667-I676 HydrophobicContact CG1-CD1 3.76Å
668S82.7Confident88.5Confident96 Ų9657.4 Ų57.467%0.67131%0.311SS*.Hα-helixtrans-64.6-27.5177.4-60.70000113E664 A665 A666 S670E664-S668 WeakPolarHBondContact O-CB 3.25Å; E664-S668 PolarHBondContact O-N 3.36Å; E664-S668 PolarHBondContact O-OG 3.41Å; A665-S668 CarbonylContact O-C 3.49Å; A665-S668 WeakPolarHBondContact O-CB 3.36Å; A665-S668 PolarHBondContact O-N 2.66Å; A666-S668 VanDerWaalsContact C-N 3.33Å; A666-S668 PolarHBondContact O-N 3.23Å; S668-S670 VanDerWaalsContact C-N 3.27Å
669A78.9Confident88.6Confident46 Ų4661.3 Ų61.338%0.3833%0.328SS..THydrogen-bonded Turntrans-85.54.6174.200000113.3A600 A665 A666 I667 L671A600-A669 HydrophobicContact CB-CB 3.98Å; A665-A669 WeakPolarHBondContact O-CB 3.25Å; A665-A669 PolarHBondContact O-N 2.68Å; A666-A669 CarbonylContact O-C 3.45Å; A666-A669 PolarHBondContact O-N 3.22Å; A666-A669 VanDerWaalsContact O-N 3.16Å; I667-A669 PolarHBondContact O-N 2.83Å; A669-L671 VanDerWaalsContact C-N 3.27Å; A669-L671 HydrophobicContact CB-CG 4.5Å; A669-L671 PolarHBondContact O-N 3.46Å
670S82.4Confident88.6Confident98 Ų9860.3 Ų60.369%0.68532%0.323SS*.THydrogen-bonded Turntrans57.238.3-177.8-52.10000113.1A666 I667 S668A666-S670 PolarHBondContact O-N 2.94Å; I667-S670 PolarHBondContact O-N 3.02Å; S668-S670 VanDerWaalsContact C-N 3.27Å
671L83.7Confident88.8Confident14 Ų1456.5 Ų56.57%0.07331%0.305CS..  trans-73.3142.6165.2-64.9-176000109.9K596 V597 A600 A666 A669 E675 I676K596-L671 HydrophobicContact CD-CD2 4.21Å; K596-L671 HydrophobicContact CG-CD2 4.1Å; V597-L671 HydrophobicContact CB-CD1 4.46Å; V597-L671 HydrophobicContact CG1-CD1 4.27Å; V597-L671 HydrophobicContact CG2-CD1 4.31Å; A600-L671 HydrophobicContact CB-CD1 4Å; A600-L671 HydrophobicContact CB-CD2 4.26Å; A600-L671 HydrophobicContact CB-CG 4.29Å; A666-L671 HydrophobicContact CB-CB 4.33Å; A666-L671 HydrophobicContact CB-CD1 3.89Å; A666-L671 HydrophobicContact CB-CG 4.49Å; A666-L671 WeakPolarHBondContact O-CB 3.48Å; A666-L671 PolarHBondContact O-N 2.8Å; A669-L671 VanDerWaalsContact C-N 3.27Å; A669-L671 HydrophobicContact CB-CG 4.5Å; A669-L671 PolarHBondContact O-N 3.46Å; L671-E675 WeakPolarHBondContact CA-OE2 3.37Å; L671-E675 HydrophobicContact CB-CB 4.3Å; L671-I676 HydrophobicContact CB-CG1 4.33Å
672E83.4Confident88.9Confident112 Ų11254.1 Ų54.152%0.52329%0.291SS..  trans-70.1153175.7-65.4-61.4153.200110.6F674 E675 I676E672-F674 HydrophobicContact CB-CD1 3.73Å; E672-F674 HydrophobicContact CB-CE1 3.31Å; E672-F674 HydrophobicContact CB-CE2 4.47Å; E672-F674 HydrophobicContact CB-CG 4.45Å; E672-F674 HydrophobicContact CB-CZ 3.72Å; E672-F674 HydrophobicContact CG-CE1 3.77Å; E672-F674 HydrophobicContact CG-CZ 4.01Å; E672-F674 PolarHBondContact O-N 3.04Å; E672-F674 VanDerWaalsContact O-N 3.08Å; E672-E675 HydrophobicContact CB-CG 4.06Å; E672-E675 PolarHBondContact N-OE2 3.49Å; E672-E675 WeakPolarHBondContact O-CA 3.45Å; E672-E675 WeakPolarHBondContact O-CB 3.09Å; E672-E675 PolarHBondContact O-N 3.06Å; E672-I676 WeakPolarHBondContact O-CG1 3.22Å; E672-I676 PolarHBondContact O-N 2.96Å
673K86.6Confident88.9Confident186 Ų18654.2 Ų54.281%0.80929%0.292SS*.THydrogen-bonded Turntrans-54.4-36.7-175.4-174.8179.2176.4-176.10113.2E675K673-E675 VanDerWaalsContact C-N 3.31Å
674F84.7Confident88.7Confident60 Ų6054.3 Ų54.326%0.26329%0.292SS..THydrogen-bonded Turntrans-77.5-14.9179.765.2-94.7000113.3L586 E590 V592 V621 E672L586-F674 HydrophobicContact CD1-CB 4.09Å; L586-F674 HydrophobicContact CD1-CD2 4.18Å; E590-F674 HydrophobicContact CB-CD2 3.93Å; E590-F674 HydrophobicContact CB-CE1 4.49Å; E590-F674 HydrophobicContact CB-CE2 3.86Å; E590-F674 HydrophobicContact CB-CG 4.32Å; E590-F674 HydrophobicContact CB-CZ 4.16Å; E590-F674 HydrophobicContact CG-CD1 4.34Å; E590-F674 HydrophobicContact CG-CE1 4.36Å; E590-F674 HydrophobicContact CG-CG 4.44Å; E590-F674 HydrophobicContact CG-CZ 4.49Å; V592-F674 HydrophobicContact CG2-CD2 3.61Å; V592-F674 HydrophobicContact CG2-CE2 3.95Å; V621-F674 WeakPolarHBondContact CG2-O 3.48Å; E672-F674 HydrophobicContact CB-CD1 3.73Å; E672-F674 HydrophobicContact CB-CE1 3.31Å; E672-F674 HydrophobicContact CB-CE2 4.47Å; E672-F674 HydrophobicContact CB-CG 4.45Å; E672-F674 HydrophobicContact CB-CZ 3.72Å; E672-F674 HydrophobicContact CG-CE1 3.77Å; E672-F674 HydrophobicContact CG-CZ 4.01Å; E672-F674 PolarHBondContact O-N 3.04Å; E672-F674 VanDerWaalsContact O-N 3.08Å
675E87.4Confident88.5Confident10 Ų1053.4 Ų53.45%0.04729%0.287CS..THydrogen-bonded Turntrans-84.7-21175.2-63.6-179.7133.900112.3V592 K596 V597 L671 E672 K673 P677V592-E675 HydrophobicContact CG1-CG 4.44Å; K596-E675 WeakPolarHBondContact CD-OE1 3.33Å; K596-E675 IonicContact NZ-OE1 2.94Å; K596-E675 PolarHBondContact NZ-OE1 2.72Å; K596-E675 IonicContact NZ-OE2 3.74Å; K596-E675 PolarHBondContact NZ-OE2 3.1Å; V597-E675 HydrophobicContact CG2-CB 3.86Å; V597-E675 WeakPolarHBondContact CG2-O 3.16Å; L671-E675 WeakPolarHBondContact CA-OE2 3.37Å; L671-E675 HydrophobicContact CB-CB 4.3Å; E672-E675 HydrophobicContact CB-CG 4.06Å; E672-E675 PolarHBondContact N-OE2 3.49Å; E672-E675 WeakPolarHBondContact O-CA 3.45Å; E672-E675 WeakPolarHBondContact O-CB 3.09Å; E672-E675 PolarHBondContact O-N 3.06Å; K673-E675 VanDerWaalsContact C-N 3.31Å; E675-P677 WeakPolarHBondContact O-CD 3.36Å
676I92.4Very high88.4Confident21 Ų2156.6 Ų56.611%0.10831%0.307CS..SBendtrans-74.4125.3-175.3-51-172.8000110A666 I667 L671 E672 V678A666-I676 HydrophobicContact CB-CB 4.3Å; A666-I676 HydrophobicContact CB-CD1 3.87Å; A666-I676 HydrophobicContact CB-CG1 3.79Å; A666-I676 HydrophobicContact CB-CG2 3.8Å; I667-I676 HydrophobicContact CG1-CD1 3.76Å; L671-I676 HydrophobicContact CB-CG1 4.33Å; E672-I676 WeakPolarHBondContact O-CG1 3.22Å; E672-I676 PolarHBondContact O-N 2.96Å; I676-V678 PolarHBondContact O-N 3.07Å
677P94Very high88.5Confident2 Ų257 Ų571%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-57.2128.1173.7-25.134.8000111.4V597 L601 V621 L659 E675 I680V597-P677 HydrophobicContact CG1-CG 4.05Å; L601-P677 HydrophobicContact CD1-CG 4.05Å; V621-P677 HydrophobicContact CG1-CG 4.36Å; V621-P677 CarbonylContact O-C 3.53Å; V621-P677 WeakPolarHBondContact O-CA 3.46Å; L659-P677 VanDerWaalsContact CD1-O 3.22Å; L659-P677 WeakPolarHBondContact CD1-O 3.24Å; E675-P677 WeakPolarHBondContact O-CD 3.36Å; P677-I680 HydrophobicContact CB-CG2 4.41Å
678V94Very high88.1Confident75 Ų7553.6 Ų53.646%0.45529%0.293SS..EExtended strand (participates in β ladder)trans-94-22.2-179.6178.70000111.8Y620 V621 L659 I676Y620-V678 HydrophobicContact CD2-CB 3.9Å; Y620-V678 HydrophobicContact CD2-CG2 4.3Å; Y620-V678 HydrophobicContact CG-CB 4.31Å; Y620-V678 HydrophobicContact CG-CG2 4.27Å; V621-V678 PolarHBondContact O-N 3.09Å; L659-V678 WeakPolarHBondContact CD2-O 3.46Å; I676-V678 PolarHBondContact O-N 3.07Å
679K94.2Very high87.5Confident82 Ų8249.6 Ų49.636%0.35727%0.265SS..EExtended strand (participates in β ladder)trans-140150.3175.6-61.5-179.9-177.71800109.6I622 G623 M716I622-K679 CarbonylContact C-O 3.52Å; I622-K679 VanDerWaalsContact CA-O 3.27Å; I622-K679 WeakPolarHBondContact CA-O 3.5Å; I622-K679 HydrophobicContact CG2-CB 4.09Å; G623-K679 PolarHBondContact N-O 3.28Å; K679-M716 HydrophobicContact CB-CB 4.21Å; K679-M716 HydrophobicContact CB-CG 3.94Å; K679-M716 HydrophobicContact CB-SD 3.8Å; K679-M716 HydrophobicContact CD-CB 4.02Å; K679-M716 HydrophobicContact CD-CG 4.3Å; K679-M716 WeakPolarHBondContact CD-O 3.41Å; K679-M716 WeakPolarHBondContact CE-O 3.22Å; K679-M716 PolarHBondContact NZ-O 3.17Å
680I95.9Very high86.9Confident6 Ų654.4 Ų54.43%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-135.2163.6178.164.3171.4000112.9G623 V625 E655 V658 L659 L662 P677 L682G623-I680 CarbonylContact O-C 3.55Å; G623-I680 WeakPolarHBondContact O-CA 3.28Å; G623-I680 WeakPolarHBondContact O-CB 3.33Å; V625-I680 HydrophobicContact CG2-CG2 4.45Å; E655-I680 HydrophobicContact CB-CG1 4.26Å; E655-I680 WeakPolarHBondContact O-CD1 3.38Å; V658-I680 HydrophobicContact CB-CD1 3.73Å; V658-I680 HydrophobicContact CG1-CD1 3.58Å; L659-I680 HydrophobicContact CB-CD1 4.13Å; L659-I680 HydrophobicContact CB-CG1 4.23Å; L659-I680 HydrophobicContact CD1-CG2 4.1Å; L662-I680 HydrophobicContact CD1-CD1 3.87Å; L662-I680 HydrophobicContact CD1-CG2 3.79Å; P677-I680 HydrophobicContact CB-CG2 4.41Å; I680-L682 HydrophobicContact CD1-CD2 4.18Å
681R95.4Very high86.6Confident32 Ų3252.7 Ų52.712%0.12127%0.265CS..EExtended strand (participates in β ladder)trans-126.3125.8168.317858.6168.7149.25.5109.7G623 F624 V625 C649 N650 E655 Y709 D712 M716G623-R681 PolarHBondContact O-N 3.16Å; F624-R681 WeakPolarHBondContact CA-O 3.23Å; F624-R681 HydrophobicContact CD1-CB 4.03Å; V625-R681 PolarHBondContact N-O 3.14Å; C649-R681 PolarHBondContact O-NH1 2.98Å; N650-R681 PolarHBondContact OD1-NH1 3.3Å; N650-R681 VanDerWaalsContact OD1-NH1 3.13Å; N650-R681 PolarHBondContact OD1-NH2 3.32Å; E655-R681 WeakPolarHBondContact OE1-CD 3.46Å; E655-R681 IonicContact OE1-NH1 3.52Å; E655-R681 PolarHBondContact OE1-NH1 3.44Å; R681-Y709 HydrophobicContact CG-CD1 4.12Å; R681-Y709 HydrophobicContact CG-CE1 4.22Å; R681-D712 HydrophobicContact CB-CB 4.44Å; R681-D712 HydrophobicContact CG-CB 4.09Å; R681-D712 IonicContact CZ-OD1 3.99Å; R681-D712 VanDerWaalsContact NE-CG 3.32Å; R681-D712 IonicContact NE-OD1 3.86Å; R681-D712 PolarHBondContact NE-OD1 3.28Å; R681-D712 IonicContact NE-OD2 2.71Å; R681-D712 PolarHBondContact NE-OD2 3.13Å; R681-M716 HydrophobicContact CB-CE 4.02Å
682L94.8Very high86.1Confident1 Ų153.2 Ų53.21%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-85134.2173.6-58.4174.1000110V625 P627 L632 C649 M654 E655 V658 I680V625-L682 HydrophobicContact CB-CD2 4.09Å; V625-L682 HydrophobicContact CG1-CD2 4.19Å; V625-L682 CarbonylContact O-C 3.54Å; V625-L682 WeakPolarHBondContact O-CA 3.29Å; P627-L682 HydrophobicContact CB-CD2 4.47Å; P627-L682 HydrophobicContact CG-CB 4.42Å; P627-L682 HydrophobicContact CG-CD2 4.32Å; L632-L682 HydrophobicContact CD1-CD1 4.39Å; C649-L682 HydrophobicContact CB-CB 4.06Å; C649-L682 WeakPolarHBondContact O-CB 3.4Å; M654-L682 HydrophobicContact CB-CD1 4.09Å; E655-L682 HydrophobicContact CG-CD1 4.26Å; E655-L682 HydrophobicContact CG-CG 4.04Å; V658-L682 HydrophobicContact CB-CD2 4.16Å; V658-L682 HydrophobicContact CG1-CD2 3.94Å; V658-L682 HydrophobicContact CG2-CD1 4.08Å; V658-L682 HydrophobicContact CG2-CD2 4.04Å; I680-L682 HydrophobicContact CD1-CD2 4.18Å
683S92.4Very high86Confident4 Ų448.4 Ų48.43%0.02825%0.251CS..  trans-104.8119.4178.9-170.40000110.5V625 P627 E685 Y709V625-S683 PolarHBondContact O-N 3.35Å; P627-S683 WeakPolarHBondContact CD-O 3.36Å; S683-E685 PolarHBondContact O-N 2.78Å; S683-E685 PolarHBondContact OG-O 3.5Å; S683-Y709 WeakPolarHBondContact CB-OH 3.14Å; S683-Y709 PolarHBondContact OG-OH 2.68Å
684P87.6Confident85.6Confident36 Ų3639.6 Ų39.623%0.23421%0.213CC..SBendtrans-72.1-19.9175.329.3-33.4000112.4W645 E646 C649W645-P684 PolarHBondContact NE1-O 2.86Å; E646-P684 HydrophobicContact CG-CB 4.41Å; C649-P684 HydrophobicContact CB-CB 3.99Å; C649-P684 HydrophobicContact CB-CG 4.38Å
685E86.1Confident84.9Confident111 Ų11137.1 Ų37.152%0.51920%0.203SC..SBendtrans-96.2129-178.3-66.3-173.3175.700111.6S683S683-E685 PolarHBondContact O-N 2.78Å; S683-E685 PolarHBondContact OG-O 3.5Å
686P86.3Confident83.7Confident84 Ų8437.2 Ų37.255%0.54520%0.204SC..PPolyproline II helixtrans-68.1138.3175.728.5-33.7000111.2T688P686-T688 PolarHBondContact O-N 2.9Å
687W87.9Confident82.2Confident10 Ų1036.8 Ų36.84%0.03820%0.203CC..PPolyproline II helixtrans-79.2123.3175-56.7-9.9000110.3N609 C611 F624 V626 L693 V694 L700 L705 Y709N609-W687 HydrophobicContact CB-CD2 4.38Å; N609-W687 HydrophobicContact CB-CE3 3.75Å; N609-W687 HydrophobicContact CB-CZ3 4.04Å; C611-W687 HydrophobicContact CB-CH2 3.53Å; C611-W687 HydrophobicContact CB-CZ3 3.75Å; F624-W687 HydrophobicContact CB-CH2 3.94Å; F624-W687 HydrophobicContact CB-CZ2 3.83Å; F624-W687 WeakPolarHBondContact O-CH2 3.06Å; V626-W687 HydrophobicContact CG2-CB 4.42Å; V626-W687 VanDerWaalsContact CG2-CD1 3.44Å; V626-W687 HydrophobicContact CG2-CD2 3.46Å; V626-W687 VanDerWaalsContact CG2-CD2 3.46Å; V626-W687 HydrophobicContact CG2-CE3 4.16Å; V626-W687 HydrophobicContact CG2-CG 3.57Å; V626-W687 HydrophobicContact CG2-CH2 4.46Å; V626-W687 HydrophobicContact CG2-CZ2 3.83Å; W687-L693 HydrophobicContact CB-CB 4.23Å; W687-L693 HydrophobicContact CG-CB 4.2Å; W687-L693 HydrophobicContact CG-CD1 4.1Å; W687-V694 HydrophobicContact CB-CG1 4.11Å; W687-L700 HydrophobicContact CE3-CD2 3.68Å; W687-L700 HydrophobicContact CZ3-CD2 3.6Å; W687-L705 HydrophobicContact CD2-CD2 4.02Å; W687-L705 HydrophobicContact CE3-CD2 4.21Å; W687-L705 HydrophobicContact CH2-CD2 4.08Å; W687-L705 HydrophobicContact CZ2-CD2 3.86Å; W687-L705 HydrophobicContact CZ3-CD1 4.38Å; W687-L705 HydrophobicContact CZ3-CD2 4.25Å; W687-Y709 AromaticContact CZ2-CE2 3.96Å; W687-Y709 HydrophobicContact CZ2-CE2 3.96Å; W687-Y709 PolarHBondContact NE1-OH 3.33Å
688T78.9Confident80.9Confident39 Ų3939.3 Ų39.324%0.23921%0.214CC..  trans-138.4159-176.560.40000109.7P686 E690 T691 G692P686-T688 PolarHBondContact O-N 2.9Å; T688-E690 VanDerWaalsContact CB-OE2 3.24Å; T688-E690 WeakPolarHBondContact CB-OE2 3.44Å; T688-E690 PolarHBondContact O-N 3.36Å; T688-E690 PolarHBondContact OG1-OE2 3.49Å; T688-T691 PolarHBondContact N-OG1 2.52Å; T688-T691 PolarHBondContact O-N 3.29Å; T688-T691 PolarHBondContact O-OG1 3.44Å; T688-T691 WeakPolarHBondContact OG1-CG2 3.18Å; T688-T691 PolarHBondContact OG1-N 3.33Å; T688-T691 PolarHBondContact OG1-OG1 2.85Å; T688-G692 PolarHBondContact O-N 2.84Å
689P71.3Confident80Confident13 Ų1338.4 Ų38.48%0.08420%0.204CC..THydrogen-bonded Turntrans-54.1-35.1172.8-27.136.2000112.1G692 V694 F698P689-G692 PolarHBondContact O-N 3.34Å; P689-G692 VanDerWaalsContact O-N 3.07Å; P689-V694 HydrophobicContact CG-CG2 4.22Å; P689-F698 HydrophobicContact CG-CD1 4.5Å; P689-F698 HydrophobicContact CG-CE1 4.09Å; P689-F698 HydrophobicContact CG-CE2 4.48Å; P689-F698 HydrophobicContact CG-CZ 4.07Å
690E66.1Low79.5Confident147 Ų14736 Ų3669%0.68720%0.195SC*.THydrogen-bonded Turntrans-67.5-36.5178.7-61.278.6-172.200113.1T688 G692T688-E690 VanDerWaalsContact CB-OE2 3.24Å; T688-E690 WeakPolarHBondContact CB-OE2 3.44Å; T688-E690 PolarHBondContact O-N 3.36Å; T688-E690 PolarHBondContact OG1-OE2 3.49Å; E690-G692 PolarHBondContact O-N 3Å
691T75Confident78.7Confident62 Ų6237.6 Ų37.638%0.3820%0.202SC..THydrogen-bonded Turntrans-73.1-9.5172.760.40000112.7T688 L693T688-T691 PolarHBondContact N-OG1 2.52Å; T688-T691 PolarHBondContact O-N 3.29Å; T688-T691 PolarHBondContact O-OG1 3.44Å; T688-T691 WeakPolarHBondContact OG1-CG2 3.18Å; T688-T691 PolarHBondContact OG1-N 3.33Å; T688-T691 PolarHBondContact OG1-OG1 2.85Å; T691-L693 PolarHBondContact O-N 3.33Å
692G74.2Confident78.2Confident25 Ų2538.1 Ų38.126%0.25820%0.204SC..THydrogen-bonded Turntrans73.26.217900000114.5T688 P689 E690 K701T688-G692 PolarHBondContact O-N 2.84Å; P689-G692 PolarHBondContact O-N 3.34Å; P689-G692 VanDerWaalsContact O-N 3.07Å; E690-G692 PolarHBondContact O-N 3Å; G692-K701 WeakPolarHBondContact O-CD 3.17Å
693L80.5Confident77.5Confident11 Ų1143.8 Ų43.86%0.05823%0.228CC..SBendtrans-87.3-16.8-179.2-62.8-179.6000113.4W687 T691 K701 L705 H708W687-L693 HydrophobicContact CB-CB 4.23Å; W687-L693 HydrophobicContact CG-CB 4.2Å; W687-L693 HydrophobicContact CG-CD1 4.1Å; T691-L693 PolarHBondContact O-N 3.33Å; L693-K701 WeakPolarHBondContact O-CB 3.37Å; L693-K701 PolarHBondContact O-N 3.43Å; L693-K701 VanDerWaalsContact O-N 3.09Å; L693-L705 HydrophobicContact CB-CD2 4.06Å; L693-L705 HydrophobicContact CB-CG 4.48Å; L693-L705 HydrophobicContact CD1-CD2 4.38Å; L693-L705 HydrophobicContact CD2-CD2 4.14Å; L693-L705 HydrophobicContact CD2-CG 4.48Å; L693-L705 HydrophobicContact CG-CD2 4.43Å; L693-H708 HydrophobicContact CD2-CB 3.94Å
694V78.7Confident77.1Confident1 Ų146.6 Ų46.61%0.00624%0.241CC..BIsolated β-bridgetrans-125.3161.3169.3-64.80000110.4W687 P689 F698 K699 L700 K701W687-V694 HydrophobicContact CB-CG1 4.11Å; P689-V694 HydrophobicContact CG-CG2 4.22Å; V694-F698 HydrophobicContact CG2-CD1 4.49Å; V694-K699 CarbonylContact C-O 3.11Å; V694-K699 WeakPolarHBondContact CA-O 3.41Å; V694-K699 WeakPolarHBondContact CB-O 3.29Å; V694-L700 HydrophobicContact CG1-CD2 4.05Å; V694-K701 WeakPolarHBondContact O-CE 3.34Å; V694-K701 PolarHBondContact O-NZ 3.01Å
695T70.1Confident77.1Confident8 Ų844.9 Ų44.95%0.04923%0.23CC..  trans-74.8168.6168.872.10000110.1A697 F698 K699 K701T695-A697 PolarHBondContact O-N 2.98Å; T695-A697 PolarHBondContact OG1-N 3.12Å; T695-F698 VanDerWaalsContact O-CA 3.28Å; T695-F698 WeakPolarHBondContact O-CA 3.43Å; T695-F698 PolarHBondContact O-N 2.81Å; T695-K699 HydrophobicContact CG2-CB 4.13Å; T695-K699 PolarHBondContact N-O 3.17Å; T695-K699 VanDerWaalsContact OG1-CB 3.31Å; T695-K699 WeakPolarHBondContact OG1-CB 3.43Å; T695-K699 PolarHBondContact OG1-N 2.99Å; T695-K701 HydrophobicContact CG2-CD 4.43Å; T695-K701 HydrophobicContact CG2-CG 3.78Å
696D62.1Low77.2Confident12 Ų1243.7 Ų43.76%0.06422%0.223CC..THydrogen-bonded Turntrans-64.9-21.9177.7-62-10.6000112.8Y190 T192 F698Y190-D696 WeakPolarHBondContact CB-OD2 3.37Å; Y190-D696 HydrophobicContact CD1-CB 3.6Å; Y190-D696 HydrophobicContact CE1-CB 4.22Å; Y190-D696 HydrophobicContact CG-CB 4.06Å; T192-D696 WeakPolarHBondContact CB-OD1 3.4Å; T192-D696 WeakPolarHBondContact CB-OD2 3.39Å; T192-D696 WeakPolarHBondContact OG1-CB 2.86Å; T192-D696 PolarHBondContact OG1-OD1 2.92Å; T192-D696 PolarHBondContact OG1-OD2 3.44Å; D696-F698 VanDerWaalsContact C-N 3.26Å
697A59.9Low77.2Confident12 Ų1244.5 Ų44.510%0.09923%0.226CC..THydrogen-bonded Turntrans-90.118.916900000112.7T695 K699T695-A697 PolarHBondContact O-N 2.98Å; T695-A697 PolarHBondContact OG1-N 3.12Å; A697-K699 VanDerWaalsContact C-N 3.26Å; A697-K699 HydrophobicContact CB-CG 4.36Å; A697-K699 PolarHBondContact O-N 2.89Å
698F68.1Low77.3Confident54 Ų5448.5 Ų48.524%0.23725%0.245CC..SBendtrans57.329.5-178.7-65.4-92.9000114.9E385 P689 V694 T695 D696E385-F698 HydrophobicContact CB-CB 4.05Å; E385-F698 HydrophobicContact CG-CB 3.87Å; E385-F698 HydrophobicContact CG-CD1 4.32Å; E385-F698 HydrophobicContact CG-CG 4.12Å; P689-F698 HydrophobicContact CG-CD1 4.5Å; P689-F698 HydrophobicContact CG-CE1 4.09Å; P689-F698 HydrophobicContact CG-CE2 4.48Å; P689-F698 HydrophobicContact CG-CZ 4.07Å; V694-F698 HydrophobicContact CG2-CD1 4.49Å; T695-F698 VanDerWaalsContact O-CA 3.28Å; T695-F698 WeakPolarHBondContact O-CA 3.43Å; T695-F698 PolarHBondContact O-N 2.81Å; D696-F698 VanDerWaalsContact C-N 3.26Å
699K75.5Confident78Confident56 Ų5647 Ų4724%0.24324%0.235CC..  trans-89.6144.1174.6-50.5-176.4-166.5-1780110.3G452 V694 T695 A697 K701G452-K699 WeakPolarHBondContact O-CE 3.21Å; G452-K699 PolarHBondContact O-NZ 3.5Å; V694-K699 CarbonylContact C-O 3.11Å; V694-K699 WeakPolarHBondContact CA-O 3.41Å; V694-K699 WeakPolarHBondContact CB-O 3.29Å; T695-K699 HydrophobicContact CG2-CB 4.13Å; T695-K699 PolarHBondContact N-O 3.17Å; T695-K699 VanDerWaalsContact OG1-CB 3.31Å; T695-K699 WeakPolarHBondContact OG1-CB 3.43Å; T695-K699 PolarHBondContact OG1-N 2.99Å; A697-K699 VanDerWaalsContact C-N 3.26Å; A697-K699 HydrophobicContact CB-CG 4.36Å; A697-K699 PolarHBondContact O-N 2.89Å; K699-K701 PolarHBondContact O-N 3.19Å
700L82.8Confident78.9Confident33 Ų3349.8 Ų49.817%0.17325%0.247CC..BIsolated β-bridgetrans-63.9131.7179.9-59175.3000111.8E598 I610 C611 W687 V694 R702 L705E598-L700 HydrophobicContact CG-CD1 4.36Å; E598-L700 WeakPolarHBondContact OE2-CD1 3.36Å; I610-L700 WeakPolarHBondContact O-CD1 3.39Å; C611-L700 HydrophobicContact CB-CD1 4.02Å; W687-L700 HydrophobicContact CE3-CD2 3.68Å; W687-L700 HydrophobicContact CZ3-CD2 3.6Å; V694-L700 HydrophobicContact CG1-CD2 4.05Å; L700-R702 PolarHBondContact O-N 2.72Å; L700-L705 HydrophobicContact CB-CD1 4.01Å; L700-L705 HydrophobicContact CD2-CD1 4.15Å
701K79.9Confident80.1Confident38 Ų3846.3 Ų46.317%0.16524%0.244CC..  trans-94.383.6171.7-79.2-178.8178.6168.40109.5G692 L693 V694 T695 K699 K703 E704 L705G692-K701 WeakPolarHBondContact O-CD 3.17Å; L693-K701 WeakPolarHBondContact O-CB 3.37Å; L693-K701 PolarHBondContact O-N 3.43Å; L693-K701 VanDerWaalsContact O-N 3.09Å; V694-K701 WeakPolarHBondContact O-CE 3.34Å; V694-K701 PolarHBondContact O-NZ 3.01Å; T695-K701 HydrophobicContact CG2-CD 4.43Å; T695-K701 HydrophobicContact CG2-CG 3.78Å; K699-K701 PolarHBondContact O-N 3.19Å; K701-K703 VanDerWaalsContact C-N 3.31Å; K701-K703 PolarHBondContact O-N 3.06Å; K701-E704 HydrophobicContact CB-CB 4.01Å; K701-E704 HydrophobicContact CB-CG 4.21Å; K701-E704 WeakPolarHBondContact CB-OE2 3.48Å; K701-E704 HydrophobicContact CD-CG 4.38Å; K701-E704 PolarHBondContact O-N 2.72Å; K701-L705 WeakPolarHBondContact O-CB 3.39Å; K701-L705 WeakPolarHBondContact O-CG 3.5Å; K701-L705 PolarHBondContact O-N 2.9Å
702R84.6Confident80.9Confident44 Ų4444.7 Ų44.717%0.16623%0.233CC..Hα-helixtrans-56.5-37.8-169.8-66.3-173.1-177.7-68.5-6.9114.1D582 E598 A612 L700 K706D582-R702 IonicContact OD1-NE 2.62Å; D582-R702 PolarHBondContact OD1-NE 3.24Å; D582-R702 IonicContact OD2-CZ 3.91Å; D582-R702 IonicContact OD2-NE 3.87Å; D582-R702 PolarHBondContact OD2-NE 2.82Å; D582-R702 IonicContact OD2-NH2 2.86Å; E598-R702 VanDerWaalsContact CD-NH2 3.35Å; E598-R702 IonicContact OE1-CZ 3.26Å; E598-R702 IonicContact OE1-NH1 3.92Å; E598-R702 PolarHBondContact OE1-NH1 2.85Å; E598-R702 IonicContact OE1-NH2 2.66Å; E598-R702 PolarHBondContact OE1-NH2 2.75Å; E598-R702 IonicContact OE2-CZ 3.81Å; E598-R702 IonicContact OE2-NH1 3.59Å; E598-R702 IonicContact OE2-NH2 3.62Å; E598-R702 PolarHBondContact OE2-NH2 3.07Å; A612-R702 PolarHBondContact O-NH1 3Å; L700-R702 PolarHBondContact O-N 2.72Å; R702-K706 VanDerWaalsContact O-CB 3.28Å; R702-K706 WeakPolarHBondContact O-CB 3.28Å; R702-K706 PolarHBondContact O-N 3.08Å
703K80.8Confident81.7Confident119 Ų11943.9 Ų43.952%0.51722%0.222SC..Hα-helixtrans-69.1-42-178.7-176.8-176.8177.4-174.50111.2K701 K706 T707K701-K703 VanDerWaalsContact C-N 3.31Å; K701-K703 PolarHBondContact O-N 3.06Å; K703-K706 PolarHBondContact O-N 2.79Å; K703-T707 PolarHBondContact O-N 2.86Å; K703-T707 PolarHBondContact O-OG1 3.1Å
704E82.8Confident82.2Confident63 Ų6346.8 Ų46.829%0.29424%0.235SC..Hα-helixtrans-67.8-44.9177.4-66.975.7179.800110.2K701 K706 T707 H708K701-E704 HydrophobicContact CB-CB 4.01Å; K701-E704 HydrophobicContact CB-CG 4.21Å; K701-E704 WeakPolarHBondContact CB-OE2 3.48Å; K701-E704 HydrophobicContact CD-CG 4.38Å; K701-E704 PolarHBondContact O-N 2.72Å; E704-K706 PolarHBondContact O-N 3.1Å; E704-T707 PolarHBondContact O-N 3.4Å; E704-H708 WeakPolarHBondContact O-CB 3.46Å; E704-H708 PolarHBondContact O-N 2.89Å
705L88.4Confident82.8Confident0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-59.6-45.2172.2-76.2162.4000111.9C611 W687 L693 L700 K701 T707 H708 Y709C611-L705 HydrophobicContact CB-CD1 3.99Å; W687-L705 HydrophobicContact CD2-CD2 4.02Å; W687-L705 HydrophobicContact CE3-CD2 4.21Å; W687-L705 HydrophobicContact CH2-CD2 4.08Å; W687-L705 HydrophobicContact CZ2-CD2 3.86Å; W687-L705 HydrophobicContact CZ3-CD1 4.38Å; W687-L705 HydrophobicContact CZ3-CD2 4.25Å; L693-L705 HydrophobicContact CB-CD2 4.06Å; L693-L705 HydrophobicContact CB-CG 4.48Å; L693-L705 HydrophobicContact CD1-CD2 4.38Å; L693-L705 HydrophobicContact CD2-CD2 4.14Å; L693-L705 HydrophobicContact CD2-CG 4.48Å; L693-L705 HydrophobicContact CG-CD2 4.43Å; L700-L705 HydrophobicContact CB-CD1 4.01Å; L700-L705 HydrophobicContact CD2-CD1 4.15Å; K701-L705 WeakPolarHBondContact O-CB 3.39Å; K701-L705 WeakPolarHBondContact O-CG 3.5Å; K701-L705 PolarHBondContact O-N 2.9Å; L705-T707 VanDerWaalsContact C-N 3.3Å; L705-T707 PolarHBondContact O-N 2.78Å; L705-H708 PolarHBondContact O-N 3.37Å; L705-Y709 HydrophobicContact CD2-CD2 4.27Å; L705-Y709 HydrophobicContact CD2-CE2 3.74Å; L705-Y709 VanDerWaalsContact O-CD2 3.25Å; L705-Y709 WeakPolarHBondContact O-CD2 3.4Å; L705-Y709 PolarHBondContact O-N 3.22Å
706K87.7Confident83.8Confident87 Ų8751.4 Ų51.438%0.37825%0.252SS..Hα-helixtrans-57.3-45.3174.6179.4-173.5179.2171.90111.4Y613 R702 K703 E704 Q710 I713Y613-K706 HydrophobicContact CE2-CB 4.24Å; Y613-K706 HydrophobicContact CE2-CD 3.89Å; Y613-K706 HydrophobicContact CE2-CG 3.83Å; Y613-K706 VanDerWaalsContact OH-CE 3.3Å; Y613-K706 WeakPolarHBondContact OH-CE 3.38Å; R702-K706 VanDerWaalsContact O-CB 3.28Å; R702-K706 WeakPolarHBondContact O-CB 3.28Å; R702-K706 PolarHBondContact O-N 3.08Å; K703-K706 PolarHBondContact O-N 2.79Å; E704-K706 PolarHBondContact O-N 3.1Å; K706-Q710 WeakPolarHBondContact O-CA 3.3Å; K706-Q710 PolarHBondContact O-N 3.26Å; K706-Q710 VanDerWaalsContact O-N 3.07Å; K706-I713 HydrophobicContact CB-CD1 4.4Å; K706-I713 HydrophobicContact CG-CD1 3.82Å
707T87.3Confident85Confident100 Ų10051.8 Ų51.861%0.61325%0.253SS*.Hα-helixtrans-66-43.3-179.7-53.80000110.8K703 E704 L705 Q710K703-T707 PolarHBondContact O-N 2.86Å; K703-T707 PolarHBondContact O-OG1 3.1Å; E704-T707 PolarHBondContact O-N 3.4Å; L705-T707 VanDerWaalsContact C-N 3.3Å; L705-T707 PolarHBondContact O-N 2.78Å; T707-Q710 WeakPolarHBondContact O-CB 3.46Å; T707-Q710 PolarHBondContact O-N 3.11Å
708H89.9Confident85.7Confident95 Ų9553.3 Ų53.344%0.4427%0.269SS..Hα-helixtrans-63.3-42.3178.8-176.988.3000112.3L693 E704 L705L693-H708 HydrophobicContact CD2-CB 3.94Å; E704-H708 WeakPolarHBondContact O-CB 3.46Å; E704-H708 PolarHBondContact O-N 2.89Å; L705-H708 PolarHBondContact O-N 3.37Å
709Y92.5Very high84.9Confident7 Ų760.6 Ų60.63%0.02730%0.295CS..THydrogen-bonded Turntrans-96.919.7-179.7-64.9-70.8000114.1F624 R681 S683 W687 L705 A711 D712 I713F624-Y709 HydrophobicContact CB-CD2 4.06Å; F624-Y709 HydrophobicContact CB-CE2 3.9Å; F624-Y709 AromaticContact CD1-CD1 3.89Å; F624-Y709 HydrophobicContact CD1-CD1 3.89Å; F624-Y709 AromaticContact CD1-CD2 3.67Å; F624-Y709 HydrophobicContact CD1-CD2 3.67Å; F624-Y709 HydrophobicContact CD1-CE1 4.47Å; F624-Y709 HydrophobicContact CD1-CE2 4.3Å; F624-Y709 AromaticContact CD1-CG 3.47Å; F624-Y709 HydrophobicContact CD1-CG 3.47Å; F624-Y709 VanDerWaalsContact CD1-CG 3.47Å; F624-Y709 AromaticContact CD2-CD2 3.89Å; F624-Y709 HydrophobicContact CD2-CD2 3.89Å; F624-Y709 HydrophobicContact CD2-CE2 4.44Å; F624-Y709 HydrophobicContact CD2-CG 4.45Å; F624-Y709 HydrophobicContact CE1-CD1 4.36Å; F624-Y709 HydrophobicContact CE1-CD2 4.12Å; F624-Y709 AromaticContact CE1-CG 3.71Å; F624-Y709 HydrophobicContact CE1-CG 3.71Å; F624-Y709 HydrophobicContact CE2-CD2 4.28Å; F624-Y709 HydrophobicContact CG-CD1 4.49Å; F624-Y709 AromaticContact CG-CD2 3.58Å; F624-Y709 HydrophobicContact CG-CD2 3.58Å; F624-Y709 AromaticContact CG-CE2 3.96Å; F624-Y709 HydrophobicContact CG-CE2 3.96Å; F624-Y709 AromaticContact CG-CG 3.91Å; F624-Y709 HydrophobicContact CG-CG 3.91Å; F624-Y709 HydrophobicContact CZ-CD2 4.41Å; F624-Y709 HydrophobicContact CZ-CG 4.29Å; R681-Y709 HydrophobicContact CG-CD1 4.12Å; R681-Y709 HydrophobicContact CG-CE1 4.22Å; S683-Y709 WeakPolarHBondContact CB-OH 3.14Å; S683-Y709 PolarHBondContact OG-OH 2.68Å; W687-Y709 AromaticContact CZ2-CE2 3.96Å; W687-Y709 HydrophobicContact CZ2-CE2 3.96Å; W687-Y709 PolarHBondContact NE1-OH 3.33Å; L705-Y709 HydrophobicContact CD2-CD2 4.27Å; L705-Y709 HydrophobicContact CD2-CE2 3.74Å; L705-Y709 VanDerWaalsContact O-CD2 3.25Å; L705-Y709 WeakPolarHBondContact O-CD2 3.4Å; L705-Y709 PolarHBondContact O-N 3.22Å; Y709-A711 VanDerWaalsContact C-N 3.32Å; Y709-A711 PolarHBondContact O-N 2.88Å; Y709-D712 PolarHBondContact O-N 2.64Å; Y709-I713 WeakPolarHBondContact O-CG1 3.46Å; Y709-I713 PolarHBondContact O-N 2.78Å
710Q91.2Very high83.2Confident72 Ų7271.2 Ų71.234%0.33634%0.342SS..Hα-helixtrans-57-43-172.4-178.859.242.600112.8K706 T707 D712 I713 E714K706-Q710 WeakPolarHBondContact O-CA 3.3Å; K706-Q710 PolarHBondContact O-N 3.26Å; K706-Q710 VanDerWaalsContact O-N 3.07Å; T707-Q710 WeakPolarHBondContact O-CB 3.46Å; T707-Q710 PolarHBondContact O-N 3.11Å; Q710-D712 VanDerWaalsContact C-N 3.34Å; Q710-D712 PolarHBondContact O-N 3.47Å; Q710-I713 PolarHBondContact O-N 3.36Å; Q710-E714 PolarHBondContact NE2-OE1 3.49Å; Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 2.87Å; Q710-E714 VanDerWaalsContact O-N 3.13Å
711A90.8Very high83.2Confident74 Ų7473.2 Ų73.261%0.61235%0.35SS*.Hα-helixtrans-64.5-38.1176.700000112.5Y709 E714 R715Y709-A711 VanDerWaalsContact C-N 3.32Å; Y709-A711 PolarHBondContact O-N 2.88Å; A711-E714 PolarHBondContact O-N 3.23Å; A711-R715 WeakPolarHBondContact O-CB 3.16Å; A711-R715 PolarHBondContact O-N 2.79Å
712D91.4Very high83.4Confident28 Ų2875 Ų7515%0.1536%0.36CS..Hα-helixtrans-71.4-34.8177.8-67.6-55.9000112.1R681 Y709 Q710 R715 M716R681-D712 HydrophobicContact CB-CB 4.44Å; R681-D712 HydrophobicContact CG-CB 4.09Å; R681-D712 IonicContact CZ-OD1 3.99Å; R681-D712 VanDerWaalsContact NE-CG 3.32Å; R681-D712 IonicContact NE-OD1 3.86Å; R681-D712 PolarHBondContact NE-OD1 3.28Å; R681-D712 IonicContact NE-OD2 2.71Å; R681-D712 PolarHBondContact NE-OD2 3.13Å; Y709-D712 PolarHBondContact O-N 2.64Å; Q710-D712 VanDerWaalsContact C-N 3.34Å; Q710-D712 PolarHBondContact O-N 3.47Å; D712-R715 WeakPolarHBondContact O-CB 3.37Å; D712-R715 PolarHBondContact O-N 3.04Å; D712-R715 IonicContact OD1-CZ 2.72Å; D712-R715 IonicContact OD1-NE 2.72Å; D712-M716 HydrophobicContact CB-CE 4.15Å; D712-M716 WeakPolarHBondContact O-CB 3.44Å; D712-M716 WeakPolarHBondContact O-CE 3.39Å; D712-M716 WeakPolarHBondContact O-CG 3.5Å; D712-M716 PolarHBondContact O-N 2.83Å
713I91.7Very high83.3Confident8 Ų876.7 Ų76.74%0.04137%0.371CS..Hα-helixtrans-60.3-48.3173.2-69.8169000109.9Y613 I622 F624 K706 Y709 Q710 R715 M716 Y717Y613-I713 HydrophobicContact CD1-CD1 4.5Å; Y613-I713 HydrophobicContact CD2-CD1 4.43Å; Y613-I713 HydrophobicContact CE1-CD1 4.24Å; Y613-I713 HydrophobicContact CE1-CG1 4.46Å; Y613-I713 HydrophobicContact CE1-CG2 3.88Å; Y613-I713 HydrophobicContact CE2-CD1 4.19Å; I622-I713 HydrophobicContact CD1-CG1 4.13Å; F624-I713 HydrophobicContact CE1-CG1 3.98Å; F624-I713 HydrophobicContact CZ-CD1 3.81Å; F624-I713 HydrophobicContact CZ-CG1 3.51Å; K706-I713 HydrophobicContact CB-CD1 4.4Å; K706-I713 HydrophobicContact CG-CD1 3.82Å; Y709-I713 WeakPolarHBondContact O-CG1 3.46Å; Y709-I713 PolarHBondContact O-N 2.78Å; Q710-I713 PolarHBondContact O-N 3.36Å; I713-R715 VanDerWaalsContact C-N 3.34Å; I713-R715 PolarHBondContact O-N 2.96Å; I713-M716 PolarHBondContact O-N 2.98Å; I713-Y717 HydrophobicContact CG2-CD2 3.87Å; I713-Y717 HydrophobicContact CG2-CE2 4.33Å; I713-Y717 PolarHBondContact O-N 3.03Å
714E89.7Confident83.5Confident71 Ų7174.2 Ų74.233%0.33236%0.362SS..Hα-helixtrans-61.3-42.6176.9-71.7171.6-159.300111.5Q710 A711 M716 G718 R719Q710-E714 PolarHBondContact NE2-OE1 3.49Å; Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 2.87Å; Q710-E714 VanDerWaalsContact O-N 3.13Å; A711-E714 PolarHBondContact O-N 3.23Å; E714-M716 PolarHBondContact O-N 3.36Å; E714-G718 CarbonylContact O-C 3.54Å; E714-G718 WeakPolarHBondContact O-CA 3.45Å; E714-G718 PolarHBondContact O-N 2.92Å; E714-R719 PolarHBondContact O-N 3.46Å; E714-R719 IonicContact OE2-NE 3.04Å; E714-R719 IonicContact OE2-NH2 3.22Å
715R91.1Very high83.5Confident102 Ų10274.9 Ų74.939%0.38537%0.366SS..Hα-helixtrans-59.6-45.3174.4-176.8-17173.115810.3111.9E655 A711 D712 I713E655-R715 IonicContact OE1-CZ 2.83Å; E655-R715 IonicContact OE1-NH1 3.15Å; E655-R715 IonicContact OE1-NH2 3.19Å; E655-R715 PolarHBondContact OE1-NH2 2.93Å; E655-R715 IonicContact OE2-CZ 2.69Å; E655-R715 IonicContact OE2-NH1 2.69Å; E655-R715 IonicContact OE2-NH2 3.83Å; E655-R715 PolarHBondContact OE2-NH2 3.4Å; A711-R715 WeakPolarHBondContact O-CB 3.16Å; A711-R715 PolarHBondContact O-N 2.79Å; D712-R715 WeakPolarHBondContact O-CB 3.37Å; D712-R715 PolarHBondContact O-N 3.04Å; D712-R715 IonicContact OD1-CZ 2.72Å; D712-R715 IonicContact OD1-NE 2.72Å; I713-R715 VanDerWaalsContact C-N 3.34Å; I713-R715 PolarHBondContact O-N 2.96Å
716M91.3Very high83.2Confident5 Ų579.9 Ų79.93%0.02539%0.391CS..Hα-helixtrans-74.6-41.9-175.2-75.1-172.8-81.600112.7Y620 I622 F624 K679 R681 D712 I713 E714 G718Y620-M716 PolarHBondContact OH-O 3.03Å; I622-M716 HydrophobicContact CB-CE 4.42Å; I622-M716 HydrophobicContact CB-SD 4.01Å; I622-M716 HydrophobicContact CD1-CB 4.2Å; I622-M716 HydrophobicContact CD1-CE 3.6Å; I622-M716 HydrophobicContact CD1-SD 4.18Å; I622-M716 HydrophobicContact CG1-CE 4.47Å; I622-M716 HydrophobicContact CG2-CB 4.11Å; I622-M716 HydrophobicContact CG2-SD 4.31Å; F624-M716 HydrophobicContact CD1-CE 4.19Å; F624-M716 HydrophobicContact CE1-CE 3.61Å; K679-M716 HydrophobicContact CB-CB 4.21Å; K679-M716 HydrophobicContact CB-CG 3.94Å; K679-M716 HydrophobicContact CB-SD 3.8Å; K679-M716 HydrophobicContact CD-CB 4.02Å; K679-M716 HydrophobicContact CD-CG 4.3Å; K679-M716 WeakPolarHBondContact CD-O 3.41Å; K679-M716 WeakPolarHBondContact CE-O 3.22Å; K679-M716 PolarHBondContact NZ-O 3.17Å; R681-M716 HydrophobicContact CB-CE 4.02Å; D712-M716 HydrophobicContact CB-CE 4.15Å; D712-M716 WeakPolarHBondContact O-CB 3.44Å; D712-M716 WeakPolarHBondContact O-CE 3.39Å; D712-M716 WeakPolarHBondContact O-CG 3.5Å; D712-M716 PolarHBondContact O-N 2.83Å; I713-M716 PolarHBondContact O-N 2.98Å; E714-M716 PolarHBondContact O-N 3.36Å; M716-G718 PolarHBondContact O-N 2.95Å
717Y87.6Confident82.9Confident20 Ų2079.4 Ų79.48%0.07839%0.391CS..Hα-helixtrans-77.7-11.3176.3-79.1-59.2000114Y613 A614 N615 H618 Y620 I622 I713Y613-Y717 AromaticContact CD1-CE2 3.79Å; Y613-Y717 HydrophobicContact CD1-CE2 3.79Å; Y613-Y717 HydrophobicContact CE1-CD2 4.5Å; Y613-Y717 AromaticContact CE1-CE2 3.71Å; Y613-Y717 HydrophobicContact CE1-CE2 3.71Å; Y613-Y717 PolarHBondContact O-OH 3.16Å; A614-Y717 WeakPolarHBondContact CA-OH 3.43Å; N615-Y717 HydrophobicContact CB-CE2 4.3Å; H618-Y717 HydrophobicContact CB-CD1 3.67Å; H618-Y717 HydrophobicContact CB-CE1 3.42Å; H618-Y717 VanDerWaalsContact CB-CE1 3.42Å; H618-Y717 AromaticContact CD2-CD1 3.28Å; H618-Y717 WeakPolarHBondContact CD2-CD1 3Å; H618-Y717 AromaticContact CD2-CE1 3.67Å; H618-Y717 AromaticContact CD2-CG 3.55Å; H618-Y717 AromaticContact CE1-CD1 3.76Å; H618-Y717 AromaticContact CE1-CG 3.95Å; H618-Y717 AromaticContact CG-CD1 3.18Å; H618-Y717 AromaticContact CG-CE1 3.48Å; H618-Y717 VanDerWaalsContact CG-CE1 3.48Å; H618-Y717 AromaticContact CG-CG 3.93Å; H618-Y717 AromaticContact ND1-CD1 3.51Å; H618-Y717 AromaticContact NE2-CD1 3.66Å; H618-Y717 AromaticContact NE2-CG 3.58Å; Y620-Y717 AromaticContact CD2-CE1 3.97Å; Y620-Y717 HydrophobicContact CD2-CE1 3.97Å; Y620-Y717 HydrophobicContact CE1-CD1 4.31Å; Y620-Y717 HydrophobicContact CE1-CE1 4.4Å; Y620-Y717 AromaticContact CE2-CD1 3.78Å; Y620-Y717 HydrophobicContact CE2-CD1 3.78Å; Y620-Y717 AromaticContact CE2-CE1 3.59Å; Y620-Y717 HydrophobicContact CE2-CE1 3.59Å; Y620-Y717 AromaticContact CZ-CD1 3.63Å; Y620-Y717 AromaticContact CZ-CE1 3.84Å; Y620-Y717 WeakPolarHBondContact O-CE1 3.43Å; Y620-Y717 PolarHBondContact O-OH 3.33Å; I622-Y717 HydrophobicContact CD1-CD2 3.97Å; I622-Y717 HydrophobicContact CD1-CE2 3.48Å; I622-Y717 VanDerWaalsContact CD1-CE2 3.48Å; I622-Y717 HydrophobicContact CG1-CE2 3.78Å; I622-Y717 HydrophobicContact CG2-CE1 4.15Å; I622-Y717 HydrophobicContact CG2-CE2 4.25Å; I713-Y717 HydrophobicContact CG2-CD2 3.87Å; I713-Y717 HydrophobicContact CG2-CE2 4.33Å; I713-Y717 PolarHBondContact O-N 3.03Å
718G75.6Confident82.5Confident43 Ų4377.8 Ų77.844%0.44337%0.374SS..  trans85.1127-174.200000109.7E714 M716 K720E714-G718 CarbonylContact O-C 3.54Å; E714-G718 WeakPolarHBondContact O-CA 3.45Å; E714-G718 PolarHBondContact O-N 2.92Å; M716-G718 PolarHBondContact O-N 2.95Å; G718-K720 PolarHBondContact O-N 3.1Å
719R50.9Low81.9Confident208 Ų20876.4 Ų76.479%0.78537%0.369SS*.  trans-60.2136.3161.1-86-175.2173.5172-2107.8E714E714-R719 PolarHBondContact O-N 3.46Å; E714-R719 IonicContact OE2-NE 3.04Å; E714-R719 IonicContact OE2-NH2 3.22Å
720K39.3Very low81Confident279 Ų27982.7 Ų82.7100%1.21340%0.4SS*.  trans-61.20154.3-84.9-171.7175-177.60109.4G718G718-K720 PolarHBondContact O-N 3.1Å

Retrieved 720 of 720 residues in 144.6 ms (Link to these results)

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