A0A087YBX3_POEFO Loading...

Transmembrane protein 248-like

AlphaFold DB , UniProt , Accession A0A087YBX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low55.6Low246 Ų246122.9 Ų122.9100%1.21263%0.633SS**  01130-74.3131.179.400106.4
2S45.4Very low56.5Low74 Ų74119.4 Ų119.452%0.51763%0.627SS.*  -168.8107.866.4165.70000108.8G4 S5S2-G4 VanDerWaalsContact C-N 3.31Å; S2-S5 PolarHBondContact O-OG 3.4Å; S2-S5 WeakPolarHBondContact OG-CB 3.34Å; S2-S5 PolarHBondContact OG-N 3.06Å; S2-S5 PolarHBondContact OG-OG 2.86Å
3Q47.3Very low57.4Low186 Ų186121 Ų12187%0.86963%0.629SS**SBendtrans-79.5-17.5166.1-85.6177.3-10.500111.8
4G50.7Low58Low52 Ų52118.1 Ų118.154%0.53662%0.615SS.*Hα-helixtrans-78.1-25.1-174.900000115.2S2 R8S2-G4 VanDerWaalsContact C-N 3.31Å; G4-R8 PolarHBondContact O-N 2.68Å
5S52.6Low58.8Low58 Ų58115.3 Ų115.341%0.40661%0.606SS.*Hα-helixtrans-67.9-40.3179.2450000112.2S2 L7 R8 E9S2-S5 PolarHBondContact O-OG 3.4Å; S2-S5 WeakPolarHBondContact OG-CB 3.34Å; S2-S5 PolarHBondContact OG-N 3.06Å; S2-S5 PolarHBondContact OG-OG 2.86Å; S5-L7 PolarHBondContact O-N 3.27Å; S5-R8 PolarHBondContact O-N 3.13Å; S5-E9 WeakPolarHBondContact O-CB 3.25Å; S5-E9 PolarHBondContact O-N 3.05Å
6N60.8Low60.2Low125 Ų125114.5 Ų114.567%0.66861%0.61SS**Hα-helixtrans-66.5-36.4179.5-80.6-34.1000113.4Y10N6-Y10 WeakPolarHBondContact O-CB 3.26Å; N6-Y10 PolarHBondContact O-N 3.14Å; N6-Y10 VanDerWaalsContact O-N 3.14Å
7L60.8Low61.6Low127 Ų127110.4 Ų110.467%0.66560%0.601SS**Hα-helixtrans-71.5-40.9-179.2-142.6131.4000110.6S5 Y10 V11S5-L7 PolarHBondContact O-N 3.27Å; L7-Y10 PolarHBondContact O-N 2.97Å; L7-V11 HydrophobicContact CD2-CG2 4.38Å; L7-V11 WeakPolarHBondContact O-CB 3.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.02Å
8R64.1Low62.8Low206 Ų206105.4 Ų105.478%0.77758%0.575SS**Hα-helixtrans-64.9-42.2176.4-176.2174.7166.2-149.5-4.6112.5G4 S5 V11 S12G4-R8 PolarHBondContact O-N 2.68Å; S5-R8 PolarHBondContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 3.06Å; R8-S12 PolarHBondContact O-N 2.86Å; R8-S12 PolarHBondContact O-OG 2.96Å; R8-S12 VanDerWaalsContact O-OG 3.06Å
9E64.4Low64.2Low117 Ų117104.3 Ų104.355%0.54757%0.572SS.*Hα-helixtrans-61.7-44176.3-158.988.9-155.100111.9S5 S12 H13S5-E9 WeakPolarHBondContact O-CB 3.25Å; S5-E9 PolarHBondContact O-N 3.05Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.3Å; E9-H13 PolarHBondContact O-N 3.47Å; E9-H13 VanDerWaalsContact O-N 3.08Å
10Y62.9Low65.5Low99 Ų99104.9 Ų104.939%0.38857%0.569SS.*Hα-helixtrans-66.5-41.3178.7-175.7-97.4000112.5N6 L7 S12 H13 N14 A248N6-Y10 WeakPolarHBondContact O-CB 3.26Å; N6-Y10 PolarHBondContact O-N 3.14Å; N6-Y10 VanDerWaalsContact O-N 3.14Å; L7-Y10 PolarHBondContact O-N 2.97Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 3.26Å; Y10-H13 PolarHBondContact O-N 3.15Å; Y10-N14 PolarHBondContact O-N 3.27Å; Y10-N14 VanDerWaalsContact O-N 3.1Å; Y10-A248 WeakPolarHBondContact OH-CB 3.37Å
11V63.7Low66.7Low62 Ų62102.4 Ų102.438%0.37655%0.553SS.*Hα-helixtrans-62.9-38.3175.6172.50000111.1L7 R8 T18L7-V11 HydrophobicContact CD2-CG2 4.38Å; L7-V11 WeakPolarHBondContact O-CB 3.34Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.02Å; R8-V11 PolarHBondContact O-N 3.06Å; V11-T18 HydrophobicContact CB-CG2 4.47Å; V11-T18 HydrophobicContact CG1-CG2 4.26Å; V11-T18 HydrophobicContact CG2-CG2 3.83Å
12S65.4Low69.2Low81 Ų8195 Ų9557%0.56652%0.518SS*.Hα-helixtrans-71.8-30.4176.2470000113.9R8 E9 Y10R8-S12 PolarHBondContact O-N 2.86Å; R8-S12 PolarHBondContact O-OG 2.96Å; R8-S12 VanDerWaalsContact O-OG 3.06Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 3.27Å; E9-S12 PolarHBondContact O-OG 3.3Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 3.26Å
13H68.2Low71.5Confident140 Ų14094.9 Ų94.965%0.64852%0.516SS*.Hα-helixtrans-86.2-24.5-177.2-104.3-49.7000114.5E9 Y10 P15E9-H13 PolarHBondContact O-N 3.47Å; E9-H13 VanDerWaalsContact O-N 3.08Å; Y10-H13 PolarHBondContact O-N 3.15Å; H13-P15 VanDerWaalsContact C-CD 3.46Å
14N66.2Low73.8Confident81 Ų8187.1 Ų87.143%0.43348%0.48SS..  trans-13159.6-178-65.8-83.4000113.5Y10 G17 T18Y10-N14 PolarHBondContact O-N 3.27Å; Y10-N14 VanDerWaalsContact O-N 3.1Å; N14-G17 PolarHBondContact O-N 2.95Å; N14-T18 PolarHBondContact O-N 2.98Å; N14-T18 PolarHBondContact O-OG1 3.08Å
15P70.1Confident76Confident75 Ų7587.3 Ų87.349%0.48747%0.469SS..Hα-helixtrans-55.3-46.9-169.96.1-12.7000115H13 G17 T19H13-P15 VanDerWaalsContact C-CD 3.46Å; P15-G17 PolarHBondContact O-N 3.31Å; P15-T19 PolarHBondContact O-N 2.9Å; P15-T19 PolarHBondContact O-OG1 3.09Å
16P81Confident78.1Confident103 Ų10388.6 Ų88.667%0.66947%0.474SS*.Hα-helixtrans-65.7-36.1-179.2-21.533000113.6F20P16-F20 WeakPolarHBondContact O-CB 3.39Å; P16-F20 PolarHBondContact O-N 3.16Å
17G83.7Confident79.8Confident44 Ų4486.1 Ų86.145%0.45446%0.46SS..Hα-helixtrans-71.2-41-17700000112.5N14 P15 F21N14-G17 PolarHBondContact O-N 2.95Å; P15-G17 PolarHBondContact O-N 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.42Å; G17-F21 PolarHBondContact O-N 3.46Å
18T84.2Confident81.5Confident21 Ų2180 Ų8013%0.12943%0.429CS..Hα-helixtrans-63.3-47.3175.2-57.80000111.3V11 N14 F20 F21 L22V11-T18 HydrophobicContact CB-CG2 4.47Å; V11-T18 HydrophobicContact CG1-CG2 4.26Å; V11-T18 HydrophobicContact CG2-CG2 3.83Å; N14-T18 PolarHBondContact O-N 2.98Å; N14-T18 PolarHBondContact O-OG1 3.08Å; T18-F20 PolarHBondContact O-N 3.41Å; T18-F21 PolarHBondContact O-N 2.8Å; T18-L22 HydrophobicContact CG2-CD1 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.4Å; T18-L22 PolarHBondContact O-N 2.9Å
19T88.1Confident83.1Confident85 Ų8576.3 Ų76.352%0.52142%0.418SS..Hα-helixtrans-61.6-45.4179-56.10000111.1P15 F21 L22 C23P15-T19 PolarHBondContact O-N 2.9Å; P15-T19 PolarHBondContact O-OG1 3.09Å; T19-F21 PolarHBondContact O-N 2.78Å; T19-L22 PolarHBondContact O-N 2.93Å; T19-C23 PolarHBondContact O-N 2.87Å; T19-C23 PolarHBondContact O-SG 3.18Å
20F90.7Very high84.6Confident116 Ų11674 Ų7451%0.50942%0.416SS..Hα-helixtrans-57-47.9176.3178.3-106000112.3P16 T18 L22 C23 L24 L244P16-F20 WeakPolarHBondContact O-CB 3.39Å; P16-F20 PolarHBondContact O-N 3.16Å; T18-F20 PolarHBondContact O-N 3.41Å; F20-L22 PolarHBondContact O-N 3.42Å; F20-C23 PolarHBondContact O-N 3.05Å; F20-L24 HydrophobicContact CD1-CD1 4Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CE1-CG 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.3Å; F20-L24 HydrophobicContact CE2-CD2 4.26Å; F20-L24 HydrophobicContact CE2-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 3.57Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.03Å; F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 2.92Å; F20-L244 HydrophobicContact CD1-CD1 4.25Å; F20-L244 HydrophobicContact CE1-CD1 4.1Å
21F91.5Very high86.3Confident53 Ų5371.8 Ų71.823%0.23241%0.408CS..Hα-helixtrans-58.6-47.2176.8173-94.4000112.4G17 T18 T19 C23 L24 L25 C241 L244 C245G17-F21 WeakPolarHBondContact O-CB 3.42Å; G17-F21 PolarHBondContact O-N 3.46Å; T18-F21 PolarHBondContact O-N 2.8Å; T19-F21 PolarHBondContact O-N 2.78Å; F21-C23 VanDerWaalsContact C-N 3.32Å; F21-C23 PolarHBondContact O-N 3.09Å; F21-L24 PolarHBondContact O-N 2.77Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 PolarHBondContact O-N 3.48Å; F21-C241 HydrophobicContact CD2-CB 4.23Å; F21-C241 HydrophobicContact CE2-CB 3.66Å; F21-C241 HydrophobicContact CZ-CB 4.46Å; F21-L244 HydrophobicContact CD2-CB 4.4Å; F21-L244 HydrophobicContact CD2-CD1 4.37Å; F21-C245 VanDerWaalsContact CE2-SG 3.53Å
22L91.6Very high87.8Confident90 Ų9072 Ų7247%0.47141%0.406SS..Hα-helixtrans-62.6-39.9178.8-70.1175.7000111.6T18 T19 F20 L25 T26T18-L22 HydrophobicContact CG2-CD1 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.4Å; T18-L22 PolarHBondContact O-N 2.9Å; T19-L22 PolarHBondContact O-N 2.93Å; F20-L22 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-T26 WeakPolarHBondContact O-CG2 3.25Å; L22-T26 PolarHBondContact O-N 2.9Å; L22-T26 PolarHBondContact O-OG1 3.04Å
23C94.5Very high89.2Confident71 Ų7172.7 Ų72.748%0.4841%0.407SS..Hα-helixtrans-62.8-42.3175.2-69.60000112.6T19 F20 F21 L25 T26 L27T19-C23 PolarHBondContact O-N 2.87Å; T19-C23 PolarHBondContact O-SG 3.18Å; F20-C23 PolarHBondContact O-N 3.05Å; F21-C23 VanDerWaalsContact C-N 3.32Å; F21-C23 PolarHBondContact O-N 3.09Å; C23-L25 VanDerWaalsContact C-N 3.34Å; C23-T26 PolarHBondContact O-OG1 3.11Å; C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.16Å; C23-L27 PolarHBondContact O-N 2.91Å
24L95.4Very high90.4Very high23 Ų2370 Ų7012%0.1240%0.397CS..Hα-helixtrans-64.9-40.4175.9-67.1-178.1000111.6F20 F21 L27 A28 L237 V240 L244F20-L24 HydrophobicContact CD1-CD1 4Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.38Å; F20-L24 HydrophobicContact CE1-CG 4.14Å; F20-L24 HydrophobicContact CE2-CD1 4.3Å; F20-L24 HydrophobicContact CE2-CD2 4.26Å; F20-L24 HydrophobicContact CE2-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 3.57Å; F20-L24 HydrophobicContact CZ-CD2 4.15Å; F20-L24 HydrophobicContact CZ-CG 4.03Å; F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 2.92Å; F21-L24 PolarHBondContact O-N 2.77Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 2.99Å; L24-L237 HydrophobicContact CD2-CD2 3.92Å; L24-V240 HydrophobicContact CD1-CG1 3.94Å; L24-L244 HydrophobicContact CD1-CD1 4.22Å
25L95.3Very high91.7Very high57 Ų5766.5 Ų66.530%0.29838%0.378SS..Hα-helixtrans-64.7-46178.3-168.182.6000111.7F21 L22 C23 A28 F29 L238F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.42Å; C23-L25 VanDerWaalsContact C-N 3.34Å; L25-A28 PolarHBondContact O-N 3.43Å; L25-F29 PolarHBondContact O-N 3.24Å; L25-L238 HydrophobicContact CD1-CD2 4.39Å
26T96.7Very high92.8Very high85 Ų8566.4 Ų66.452%0.52138%0.38SS..Hα-helixtrans-64.9-42.5177.654.50000111.1L22 C23 A28 F29 S30L22-T26 WeakPolarHBondContact O-CG2 3.25Å; L22-T26 PolarHBondContact O-N 2.9Å; L22-T26 PolarHBondContact O-OG1 3.04Å; C23-T26 PolarHBondContact O-OG1 3.11Å; T26-A28 PolarHBondContact O-N 3.04Å; T26-F29 PolarHBondContact O-N 2.88Å; T26-S30 PolarHBondContact O-N 3.38Å; T26-S30 PolarHBondContact O-OG 2.63Å; T26-S30 VanDerWaalsContact O-OG 3.1Å
27L97Very high93.4Very high72 Ų7267.2 Ų67.238%0.37737%0.37SS..Hα-helixtrans-60.4-44.9176.5-174.364.6000111.9C23 L24 F29 S30 F31 L237C23-L27 VanDerWaalsContact O-CB 3.25Å; C23-L27 WeakPolarHBondContact O-CB 3.16Å; C23-L27 PolarHBondContact O-N 2.91Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-F29 PolarHBondContact O-N 2.83Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-F31 HydrophobicContact CD1-CD1 4.48Å; L27-F31 HydrophobicContact CD1-CE1 3.81Å; L27-F31 HydrophobicContact CD1-CE2 4.04Å; L27-F31 HydrophobicContact CD1-CZ 3.56Å; L27-F31 HydrophobicContact CD2-CE2 4.21Å; L27-F31 HydrophobicContact CD2-CZ 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.35Å; L27-F31 HydrophobicContact CG-CE1 4.46Å; L27-F31 HydrophobicContact CG-CE2 3.83Å; L27-F31 HydrophobicContact CG-CZ 3.9Å; L27-F31 WeakPolarHBondContact O-CG 3.25Å; L27-F31 PolarHBondContact O-N 3.28Å; L27-L237 HydrophobicContact CB-CD1 4.39Å; L27-L237 HydrophobicContact CD2-CD1 3.92Å; L27-L237 HydrophobicContact CG-CD1 3.96Å
28A97.3Very high93.7Very high0 Ų065.8 Ų65.80%035%0.353CS..Hα-helixtrans-59.8-46176.200000111.7L24 L25 T26 F31 I32 L237 L238L24-A28 WeakPolarHBondContact O-CB 3.45Å; L24-A28 PolarHBondContact O-N 2.99Å; L25-A28 PolarHBondContact O-N 3.43Å; T26-A28 PolarHBondContact O-N 3.04Å; A28-F31 PolarHBondContact O-N 2.94Å; A28-I32 WeakPolarHBondContact O-CG1 3.06Å; A28-I32 PolarHBondContact O-N 2.87Å; A28-L237 HydrophobicContact CB-CB 3.86Å; A28-L237 HydrophobicContact CB-CD1 4.3Å; A28-L238 HydrophobicContact CB-CD2 3.99Å; A28-L238 HydrophobicContact CB-CG 4.08Å
29F96.8Very high93.9Very high127 Ų12773.3 Ų73.356%0.55738%0.38SS*.Hα-helixtrans-62-43.4176.4-106.5-84.2000112.5L25 T26 L27 F31 I32 V33L25-F29 PolarHBondContact O-N 3.24Å; T26-F29 PolarHBondContact O-N 2.88Å; L27-F29 PolarHBondContact O-N 2.83Å; F29-F31 VanDerWaalsContact C-N 3.31Å; F29-F31 PolarHBondContact O-N 2.92Å; F29-I32 PolarHBondContact O-N 2.87Å; F29-V33 WeakPolarHBondContact O-CG2 3.43Å; F29-V33 PolarHBondContact O-N 2.97Å
30S97.1Very high93.8Very high70 Ų7073.1 Ų73.149%0.4938%0.383SS..Hα-helixtrans-59.3-42.5176.1-64.70000111.7T26 L27 V33 L34T26-S30 PolarHBondContact O-N 3.38Å; T26-S30 PolarHBondContact O-OG 2.63Å; T26-S30 VanDerWaalsContact O-OG 3.1Å; L27-S30 PolarHBondContact O-N 2.94Å; S30-V33 PolarHBondContact O-N 3.05Å; S30-L34 VanDerWaalsContact O-CB 3.25Å; S30-L34 WeakPolarHBondContact O-CB 3.38Å; S30-L34 PolarHBondContact O-N 2.76Å
31F97.3Very high93.7Very high52 Ų5272 Ų7223%0.22838%0.379CS..Hα-helixtrans-65.6-38.1176-69.9-15000112.8L27 A28 F29 L34 S35 L230 V233 L237L27-F31 HydrophobicContact CD1-CD1 4.48Å; L27-F31 HydrophobicContact CD1-CE1 3.81Å; L27-F31 HydrophobicContact CD1-CE2 4.04Å; L27-F31 HydrophobicContact CD1-CZ 3.56Å; L27-F31 HydrophobicContact CD2-CE2 4.21Å; L27-F31 HydrophobicContact CD2-CZ 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.35Å; L27-F31 HydrophobicContact CG-CE1 4.46Å; L27-F31 HydrophobicContact CG-CE2 3.83Å; L27-F31 HydrophobicContact CG-CZ 3.9Å; L27-F31 WeakPolarHBondContact O-CG 3.25Å; L27-F31 PolarHBondContact O-N 3.28Å; A28-F31 PolarHBondContact O-N 2.94Å; F29-F31 VanDerWaalsContact C-N 3.31Å; F29-F31 PolarHBondContact O-N 2.92Å; F31-L34 PolarHBondContact O-N 3.01Å; F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.42Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 3.47Å; F31-L230 HydrophobicContact CB-CG 4.16Å; F31-L230 HydrophobicContact CD1-CD1 4.33Å; F31-L230 HydrophobicContact CD1-CG 4.45Å; F31-L230 HydrophobicContact CG-CG 4.38Å; F31-L230 WeakPolarHBondContact O-CD2 3.46Å; F31-V233 HydrophobicContact CD2-CB 4.46Å; F31-V233 HydrophobicContact CD2-CG1 3.87Å; F31-V233 HydrophobicContact CE2-CG1 3.66Å; F31-L237 HydrophobicContact CD2-CD1 3.9Å; F31-L237 HydrophobicContact CE2-CD1 3.92Å
32I95.4Very high93.3Very high66 Ų6672.7 Ų72.734%0.33839%0.39SS..Hα-helixtrans-63.9-46.7175-66.5166.6000111A28 F29 S35 S36 L238A28-I32 WeakPolarHBondContact O-CG1 3.06Å; A28-I32 PolarHBondContact O-N 2.87Å; F29-I32 PolarHBondContact O-N 2.87Å; I32-S35 WeakPolarHBondContact O-CB 3.25Å; I32-S35 PolarHBondContact O-N 2.76Å; I32-S36 PolarHBondContact O-N 2.94Å; I32-L238 HydrophobicContact CD1-CD1 4.11Å
33V95.4Very high93Very high95 Ų9570.5 Ų70.558%0.57638%0.379SS*.Hα-helixtrans-62.4-45.8178.5172.80000110.7F29 S30 S35 S36 Y37F29-V33 WeakPolarHBondContact O-CG2 3.43Å; F29-V33 PolarHBondContact O-N 2.97Å; S30-V33 PolarHBondContact O-N 3.05Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.13Å; V33-S36 PolarHBondContact O-N 3.36Å; V33-Y37 WeakPolarHBondContact O-CB 3.5Å; V33-Y37 PolarHBondContact O-N 2.82Å
34L93.9Very high92.6Very high84 Ų8470.7 Ų70.744%0.4438%0.379SS..Hα-helixtrans-64.6-34.9177.8-176.259.5000111.6S30 F31 S38 L230S30-L34 VanDerWaalsContact O-CB 3.25Å; S30-L34 WeakPolarHBondContact O-CB 3.38Å; S30-L34 PolarHBondContact O-N 2.76Å; F31-L34 PolarHBondContact O-N 3.01Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.24Å; L34-S38 PolarHBondContact O-OG 3.36Å; L34-L230 HydrophobicContact CB-CD2 3.7Å; L34-L230 HydrophobicContact CD2-CD2 3.85Å; L34-L230 HydrophobicContact CG-CD2 3.6Å
35S93.4Very high92Very high7 Ų770.8 Ų70.85%0.04938%0.38CS..Hα-helixtrans-63.6-48.3175.1-58.60000110.8F31 I32 V33 S38 Y39 L230F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.42Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 3.47Å; I32-S35 WeakPolarHBondContact O-CB 3.25Å; I32-S35 PolarHBondContact O-N 2.76Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.13Å; S35-S38 CarbonylContact O-C 3.59Å; S35-S38 PolarHBondContact O-N 3.1Å; S35-Y39 WeakPolarHBondContact O-CB 3.29Å; S35-Y39 PolarHBondContact O-N 3.15Å; S35-L230 WeakPolarHBondContact OG-CB 3.33Å; S35-L230 WeakPolarHBondContact OG-CD2 3.38Å
36S92.7Very high91.4Very high74 Ų7472.9 Ų72.952%0.51740%0.397SS..Hα-helixtrans-62.4-44.1179.3179.60000111.9I32 V33 Y39 S40I32-S36 PolarHBondContact O-N 2.94Å; V33-S36 PolarHBondContact O-N 3.36Å; S36-Y39 PolarHBondContact O-N 2.93Å; S36-S40 PolarHBondContact O-N 2.92Å; S36-S40 PolarHBondContact O-OG 2.98Å
37Y93.4Very high90.7Very high120 Ų12075.1 Ų75.147%0.47141%0.406SS..Hα-helixtrans-61.5-49.8175.6-179.6-96.2000111.4V33 Y39 S40 H41 L43V33-Y37 WeakPolarHBondContact O-CB 3.5Å; V33-Y37 PolarHBondContact O-N 2.82Å; Y37-Y39 PolarHBondContact O-N 2.98Å; Y37-S40 PolarHBondContact O-N 2.9Å; Y37-S40 VanDerWaalsContact O-N 3.07Å; Y37-H41 AromaticContact CD2-CE1 3.83Å; Y37-H41 AromaticContact CD2-ND1 3.55Å; Y37-H41 HydrophobicContact CE1-CB 4.31Å; Y37-H41 HydrophobicContact CE2-CB 4.48Å; Y37-H41 AromaticContact CE2-CE1 3.59Å; Y37-H41 AromaticContact CE2-CG 3.77Å; Y37-H41 AromaticContact CE2-ND1 3.42Å; Y37-H41 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H41 AromaticContact CE2-NE2 3.99Å; Y37-H41 AromaticContact CZ-CG 3.87Å; Y37-H41 AromaticContact CZ-ND1 3.96Å; Y37-H41 PolarHBondContact O-N 2.84Å; Y37-H41 PolarHBondContact O-ND1 3.13Å; Y37-L43 HydrophobicContact CE1-CD2 4.1Å
38S90.3Very high89.9Confident13 Ų1375 Ų759%0.09141%0.405CS..Hα-helixtrans-67.6-19.9179.8-55.10000112.7L34 S35 Q223L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.24Å; L34-S38 PolarHBondContact O-OG 3.36Å; S35-S38 CarbonylContact O-C 3.59Å; S35-S38 PolarHBondContact O-N 3.1Å; S38-Q223 VanDerWaalsContact O-CG 3.31Å; S38-Q223 WeakPolarHBondContact O-CG 3.42Å; S38-Q223 PolarHBondContact O-NE2 3.48Å
39Y88.9Confident88.7Confident179 Ų17983.3 Ų83.370%0.70244%0.443SS*.Hα-helixtrans-78.5-32.9171.6-179.3-96.8000112S35 S36 Y37S35-Y39 WeakPolarHBondContact O-CB 3.29Å; S35-Y39 PolarHBondContact O-N 3.15Å; S36-Y39 PolarHBondContact O-N 2.93Å; Y37-Y39 PolarHBondContact O-N 2.98Å
40S86.3Confident87.9Confident81 Ų8180.8 Ų80.857%0.56643%0.433SS*.Hα-helixtrans-92.9-21.2-171.1-52.20000114S36 Y37S36-S40 PolarHBondContact O-N 2.92Å; S36-S40 PolarHBondContact O-OG 2.98Å; Y37-S40 PolarHBondContact O-N 2.9Å; Y37-S40 VanDerWaalsContact O-N 3.07Å
41H87Confident87.4Confident94 Ų9478.2 Ų78.244%0.43541%0.414SS..SBendtrans-119.6132.9-177-65.178.8000110.4Y37 L43 Q223Y37-H41 AromaticContact CD2-CE1 3.83Å; Y37-H41 AromaticContact CD2-ND1 3.55Å; Y37-H41 HydrophobicContact CE1-CB 4.31Å; Y37-H41 HydrophobicContact CE2-CB 4.48Å; Y37-H41 AromaticContact CE2-CE1 3.59Å; Y37-H41 AromaticContact CE2-CG 3.77Å; Y37-H41 AromaticContact CE2-ND1 3.42Å; Y37-H41 WeakPolarHBondContact CE2-ND1 3.45Å; Y37-H41 AromaticContact CE2-NE2 3.99Å; Y37-H41 AromaticContact CZ-CG 3.87Å; Y37-H41 AromaticContact CZ-ND1 3.96Å; Y37-H41 PolarHBondContact O-N 2.84Å; Y37-H41 PolarHBondContact O-ND1 3.13Å; H41-L43 PolarHBondContact O-N 2.85Å; H41-Q223 PolarHBondContact O-NE2 3.3Å
42S83.9Confident87.1Confident66 Ų6675.7 Ų75.746%0.46240%0.403SS..PPolyproline II helixtrans-63.9129.5168-57.60000109.7M217S42-M217 WeakPolarHBondContact O-CE 3.38Å
43L85.4Confident86.9Confident44 Ų4473 Ų7323%0.2339%0.389CS..PPolyproline II helixtrans-103.2143.2-178.4-66.6175.2000110.2Y37 H41 M217 L218Y37-L43 HydrophobicContact CE1-CD2 4.1Å; H41-L43 PolarHBondContact O-N 2.85Å; L43-M217 CarbonylContact O-C 3.58Å; L43-M217 WeakPolarHBondContact O-CA 3.34Å; L43-L218 HydrophobicContact CB-CD1 4Å; L43-L218 PolarHBondContact O-N 3.42Å
44P85Confident86.7Confident75 Ų7570.7 Ų70.749%0.48738%0.375SS..BIsolated β-bridgetrans-66144.8174.728.9-34.3000110.5P46 T215 M217P44-P46 WeakPolarHBondContact O-CD 3.46Å; P44-T215 HydrophobicContact CB-CG2 3.76Å; P44-M217 HydrophobicContact CB-SD 4.37Å
45N83.8Confident86.7Confident25 Ų2566.7 Ų66.713%0.13435%0.354CS..PPolyproline II helixtrans-69.9118.6175.3-174.8-22.4000110.1D47 I48 V216 L218N45-D47 VanDerWaalsContact C-N 3.26Å; N45-D47 PolarHBondContact O-N 2.73Å; N45-D47 WeakPolarHBondContact OD1-CB 3.36Å; N45-D47 PolarHBondContact OD1-N 3.26Å; N45-I48 HydrophobicContact CB-CG1 4.16Å; N45-I48 PolarHBondContact O-N 2.04Å; N45-V216 HydrophobicContact CB-CB 4.4Å; N45-V216 HydrophobicContact CB-CG1 4.16Å; N45-V216 WeakPolarHBondContact CB-O 3.25Å; N45-V216 PolarHBondContact N-O 3.29Å; N45-L218 HydrophobicContact CB-CD2 4.48Å; N45-L218 HydrophobicContact CB-CG 4.44Å
46P82.9Confident86.7Confident102 Ų10266.3 Ų66.366%0.66235%0.352SS*.THydrogen-bonded Turntrans-71.5-17-178.331.2-36.6000114P44 I48P44-P46 WeakPolarHBondContact O-CD 3.46Å; P46-I48 PolarHBondContact O-N 3.36Å
47D82.2Confident86.7Confident132 Ų13266.2 Ų66.271%0.70635%0.345SS*.THydrogen-bonded Turntrans-77.1-11.2-179.9-59.1-34.3000112.4N45 E49N45-D47 VanDerWaalsContact C-N 3.26Å; N45-D47 PolarHBondContact O-N 2.73Å; N45-D47 WeakPolarHBondContact OD1-CB 3.36Å; N45-D47 PolarHBondContact OD1-N 3.26Å; D47-E49 PolarHBondContact O-N 2.92Å
48I80.4Confident86.7Confident70 Ų7061.1 Ų61.136%0.35933%0.327SS..  trans-93.193.5177.2-53.2-57.3000109N45 P46 Q50 D51 V216N45-I48 HydrophobicContact CB-CG1 4.16Å; N45-I48 PolarHBondContact O-N 2.04Å; P46-I48 PolarHBondContact O-N 3.36Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.99Å; I48-D51 HydrophobicContact CG2-CB 4.24Å; I48-V216 HydrophobicContact CG1-CB 4.08Å; I48-V216 HydrophobicContact CG1-CG2 4.23Å
49E71.9Confident86.9Confident174 Ų17460.5 Ų60.581%0.81332%0.323SS*.  trans-73.2-23.3-179.5-61.1-172.6171.200113.4D47D47-E49 PolarHBondContact O-N 2.92Å
50Q78.9Confident87.2Confident73 Ų7352.8 Ų52.834%0.34130%0.295SS..  trans-136.4104-174.2-64.5179.50.700111.3I48 L138I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 2.99Å; Q50-L138 PolarHBondContact NE2-O 2.93Å; Q50-L138 VanDerWaalsContact NE2-O 3.13Å; Q50-L138 PolarHBondContact OE1-O 3.41Å
51D87.4Confident87.6Confident16 Ų1652.9 Ų52.99%0.08629%0.293CS..  trans-117.5169.3175.674.6-9.4000112.3I48 N53 T54 L55 T215I48-D51 HydrophobicContact CG2-CB 4.24Å; D51-N53 VanDerWaalsContact C-N 3.28Å; D51-N53 PolarHBondContact O-N 3.29Å; D51-T54 PolarHBondContact O-N 3.38Å; D51-T54 WeakPolarHBondContact OD1-CB 3.26Å; D51-T54 PolarHBondContact OD1-N 2.04Å; D51-T54 PolarHBondContact OD1-OG1 2.81Å; D51-L55 PolarHBondContact O-N 3.29Å; D51-L55 VanDerWaalsContact O-N 3.15Å; D51-T215 PolarHBondContact OD2-OG1 2.77Å
52W91.1Very high87.9Confident0 Ų049 Ų490%028%0.275CS..Hα-helixtrans-64.1-34179.2-73.498.6000112.1T54 L55 L56 L105 L107 I162 L169 P170 V174 P175 L214W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.42Å; W52-L55 HydrophobicContact CE3-CD1 3.79Å; W52-L55 HydrophobicContact CH2-CD1 4.49Å; W52-L55 HydrophobicContact CZ3-CD1 3.62Å; W52-L55 PolarHBondContact O-N 3.47Å; W52-L56 VanDerWaalsContact O-CB 3.32Å; W52-L56 WeakPolarHBondContact O-CB 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.25Å; W52-L56 PolarHBondContact O-N 2.91Å; W52-L105 HydrophobicContact CH2-CD1 4.02Å; W52-L105 HydrophobicContact CZ2-CD1 4.11Å; W52-L107 HydrophobicContact CE3-CD1 3.94Å; W52-L107 HydrophobicContact CH2-CD1 3.18Å; W52-L107 HydrophobicContact CZ2-CD1 3.84Å; W52-L107 HydrophobicContact CZ3-CD1 3.22Å; W52-I162 HydrophobicContact CH2-CG2 4.08Å; W52-I162 HydrophobicContact CZ3-CG2 4.28Å; W52-L169 HydrophobicContact CH2-CD2 4.35Å; W52-P170 HydrophobicContact CD2-CB 4.15Å; W52-P170 HydrophobicContact CD2-CG 4.12Å; W52-P170 HydrophobicContact CE3-CG 4.46Å; W52-P170 HydrophobicContact CG-CB 4.13Å; W52-P170 HydrophobicContact CG-CG 4.41Å; W52-P170 HydrophobicContact CZ2-CB 4.41Å; W52-P170 HydrophobicContact CZ2-CG 4.46Å; W52-P170 PolarHBondContact NE1-O 2.94Å; W52-V174 HydrophobicContact CZ2-CG1 4.43Å; W52-P175 HydrophobicContact CB-CG 4.35Å; W52-P175 HydrophobicContact CD2-CG 3.94Å; W52-P175 HydrophobicContact CE3-CG 4.23Å; W52-P175 HydrophobicContact CG-CG 3.99Å; W52-L214 HydrophobicContact CB-CB 4.25Å; W52-L214 HydrophobicContact CB-CD1 4.43Å
53N91.6Very high88.3Confident8 Ų848 Ų484%0.04326%0.262CS..Hα-helixtrans-61.1-40.5174.8-83.3-39.9000111.9D51 L57 F208 D211 T215D51-N53 VanDerWaalsContact C-N 3.28Å; D51-N53 PolarHBondContact O-N 3.29Å; N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.02Å; N53-F208 HydrophobicContact CB-CE1 4.47Å; N53-F208 HydrophobicContact CB-CZ 4.4Å; N53-F208 WeakPolarHBondContact O-CE1 3.45Å; N53-F208 VanDerWaalsContact OD1-CZ 3.23Å; N53-F208 WeakPolarHBondContact OD1-CZ 3.44Å; N53-D211 PolarHBondContact ND2-O 3.47Å; N53-D211 PolarHBondContact OD1-N 3.27Å; N53-D211 VanDerWaalsContact OD1-N 3.1Å; N53-D211 PolarHBondContact OD1-O 2.95Å; N53-T215 PolarHBondContact ND2-OG1 3.22Å
54T90.6Very high88.5Confident47 Ų4746 Ų4629%0.28825%0.252SS..Hα-helixtrans-67.5-44.1178.1-610000111.6D51 W52 S58 K137D51-T54 PolarHBondContact O-N 3.38Å; D51-T54 WeakPolarHBondContact OD1-CB 3.26Å; D51-T54 PolarHBondContact OD1-N 2.04Å; D51-T54 PolarHBondContact OD1-OG1 2.81Å; W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.42Å; T54-S58 WeakPolarHBondContact O-CB 3.19Å; T54-S58 PolarHBondContact O-N 3.15Å; T54-K137 HydrophobicContact CG2-CB 4.15Å; T54-K137 HydrophobicContact CG2-CD 3.94Å
55L93.1Very high88.8Confident0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-58.6-56.1175.2-175.9175.2000110.6D51 W52 L57 S58 F59 L138 I162 P170D51-L55 PolarHBondContact O-N 3.29Å; D51-L55 VanDerWaalsContact O-N 3.15Å; W52-L55 HydrophobicContact CE3-CD1 3.79Å; W52-L55 HydrophobicContact CH2-CD1 4.49Å; W52-L55 HydrophobicContact CZ3-CD1 3.62Å; W52-L55 PolarHBondContact O-N 3.47Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 2.86Å; L55-S58 PolarHBondContact O-N 2.88Å; L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 3.37Å; L55-L138 HydrophobicContact CB-CD2 4.16Å; L55-L138 HydrophobicContact CD1-CD1 3.55Å; L55-L138 HydrophobicContact CD1-CD2 3.94Å; L55-L138 HydrophobicContact CD1-CG 4.16Å; L55-L138 HydrophobicContact CG-CD1 3.93Å; L55-L138 HydrophobicContact CG-CD2 4.18Å; L55-L138 HydrophobicContact CG-CG 4.22Å; L55-I162 HydrophobicContact CD1-CD1 3.92Å; L55-P170 HydrophobicContact CD1-CG 4.09Å
56L94.1Very high89Confident0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-65.5-37.6-174.9-67170.9000111.5W52 F59 S60 V109 L160 F208 L214W52-L56 VanDerWaalsContact O-CB 3.32Å; W52-L56 WeakPolarHBondContact O-CB 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.25Å; W52-L56 PolarHBondContact O-N 2.91Å; L56-F59 PolarHBondContact O-N 2.85Å; L56-S60 WeakPolarHBondContact O-CB 3.3Å; L56-S60 PolarHBondContact O-N 3.42Å; L56-V109 HydrophobicContact CD1-CB 3.95Å; L56-V109 HydrophobicContact CD1-CG1 3.94Å; L56-V109 HydrophobicContact CD2-CB 4.07Å; L56-V109 HydrophobicContact CD2-CG1 4.07Å; L56-V109 HydrophobicContact CD2-CG2 4.12Å; L56-L160 HydrophobicContact CD2-CD2 3.69Å; L56-F208 HydrophobicContact CB-CD1 4.44Å; L56-F208 HydrophobicContact CB-CD2 3.7Å; L56-F208 HydrophobicContact CB-CE1 4.15Å; L56-F208 HydrophobicContact CB-CE2 3.38Å; L56-F208 HydrophobicContact CB-CG 4.22Å; L56-F208 HydrophobicContact CB-CZ 3.61Å; L56-F208 HydrophobicContact CD1-CD2 4.48Å; L56-F208 HydrophobicContact CD1-CE2 3.63Å; L56-F208 HydrophobicContact CD1-CZ 4.08Å; L56-F208 HydrophobicContact CG-CE2 4.13Å; L56-L214 HydrophobicContact CD1-CD1 3.99Å
57L93.4Very high88.9Confident71 Ų7144.9 Ų44.937%0.37223%0.229SC..Hα-helixtrans-62.8-49.4172.8-179.963.5000111.1N53 L55 F59 S60 T61 F208N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.02Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 2.86Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 3.41Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 3.22Å; L57-T61 PolarHBondContact O-N 3.41Å; L57-F208 HydrophobicContact CB-CD1 3.74Å; L57-F208 HydrophobicContact CB-CE1 3.94Å; L57-F208 HydrophobicContact CD1-CD1 4.04Å; L57-F208 HydrophobicContact CG-CD1 4.5Å
58S93.6Very high88.1Confident14 Ų1446.1 Ų46.110%0.09823%0.231CC..Hα-helixtrans-57.6-44.9177.3-160.10000110.5T54 L55 S60 T61 F62 Q135T54-S58 WeakPolarHBondContact O-CB 3.19Å; T54-S58 PolarHBondContact O-N 3.15Å; L55-S58 PolarHBondContact O-N 2.88Å; S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-N 3.42Å; S58-T61 PolarHBondContact O-OG1 3.14Å; S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 WeakPolarHBondContact O-CE2 3.45Å; S58-Q135 PolarHBondContact OG-O 3.36Å
59F94.2Very high87Confident0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-62.6-39.5179.3-175-127.8000112.9L55 L56 L57 T61 F62 L64 L111 L131 L136 L146 L148 L160 M206L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 3.37Å; L56-F59 PolarHBondContact O-N 2.85Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 3.41Å; F59-T61 PolarHBondContact O-N 2.71Å; F59-F62 HydrophobicContact CD2-CD2 4.3Å; F59-F62 WeakPolarHBondContact O-CD2 3.29Å; F59-F62 PolarHBondContact O-N 3.28Å; F59-L64 HydrophobicContact CE2-CD2 4.4Å; F59-L64 HydrophobicContact CZ-CD1 4.18Å; F59-L111 HydrophobicContact CD1-CD2 4.07Å; F59-L111 HydrophobicContact CE1-CD2 4.1Å; F59-L131 HydrophobicContact CD2-CD1 3.9Å; F59-L131 HydrophobicContact CE2-CD1 4Å; F59-L136 HydrophobicContact CB-CD2 3.9Å; F59-L136 HydrophobicContact CD2-CD2 3.95Å; F59-L136 HydrophobicContact CG-CD2 4.27Å; F59-L146 HydrophobicContact CD2-CD1 3.65Å; F59-L146 HydrophobicContact CE1-CD1 4.34Å; F59-L146 HydrophobicContact CE2-CD1 3.44Å; F59-L146 VanDerWaalsContact CE2-CD1 3.44Å; F59-L146 HydrophobicContact CG-CD1 4.24Å; F59-L146 HydrophobicContact CZ-CD1 3.83Å; F59-L148 HydrophobicContact CE1-CD1 3.77Å; F59-L148 HydrophobicContact CE1-CD2 3.73Å; F59-L148 HydrophobicContact CE1-CG 4.07Å; F59-L148 HydrophobicContact CZ-CD1 3.58Å; F59-L148 HydrophobicContact CZ-CD2 3.93Å; F59-L148 HydrophobicContact CZ-CG 4.28Å; F59-L160 HydrophobicContact CE1-CD1 4.31Å; F59-M206 HydrophobicContact CD1-CE 4.41Å; F59-M206 HydrophobicContact CD1-SD 4.01Å; F59-M206 HydrophobicContact CD2-CE 4.43Å; F59-M206 HydrophobicContact CE1-CE 4.13Å; F59-M206 HydrophobicContact CE1-SD 3.48Å; F59-M206 WeakPolarHBondContact CE1-SD 3.29Å; F59-M206 HydrophobicContact CE2-CE 4.11Å; F59-M206 HydrophobicContact CE2-SD 4.47Å; F59-M206 HydrophobicContact CZ-CE 3.93Å; F59-M206 HydrophobicContact CZ-SD 3.71Å; F59-M206 WeakPolarHBondContact O-CE 3.28Å
60S94.3Very high85.5Confident17 Ų1745 Ų4512%0.11924%0.239CC..Hα-helixtrans-65.9-18.9179.773.30000115.1L56 L57 S58 F62L56-S60 WeakPolarHBondContact O-CB 3.3Å; L56-S60 PolarHBondContact O-N 3.42Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 3.22Å; S58-S60 VanDerWaalsContact C-N 3.35Å; S58-S60 PolarHBondContact O-N 3.37Å; S60-F62 PolarHBondContact O-N 3.21Å
61T94.2Very high83.6Confident83 Ų8347.4 Ų47.451%0.50926%0.264SS..THydrogen-bonded Turntrans-73.4-15178.364.30000113.1L57 S58 F59L57-T61 PolarHBondContact O-N 3.41Å; S58-T61 PolarHBondContact O-N 3.42Å; S58-T61 PolarHBondContact O-OG1 3.14Å; F59-T61 PolarHBondContact O-N 2.71Å
62F93.3Very high81Confident13 Ų1351.1 Ų51.16%0.05729%0.291CS..SBendtrans-86.6150.4178.3-62.6-64.6000111.9S58 F59 S60 L131 Q135 V192 N194 M206S58-F62 WeakPolarHBondContact O-CD2 3.36Å; S58-F62 WeakPolarHBondContact O-CE2 3.45Å; F59-F62 HydrophobicContact CD2-CD2 4.3Å; F59-F62 WeakPolarHBondContact O-CD2 3.29Å; F59-F62 PolarHBondContact O-N 3.28Å; S60-F62 PolarHBondContact O-N 3.21Å; F62-L131 HydrophobicContact CD2-CD1 4.32Å; F62-L131 HydrophobicContact CE2-CD1 4.36Å; F62-Q135 HydrophobicContact CZ-CB 4.05Å; F62-V192 HydrophobicContact CB-CG1 3.66Å; F62-V192 HydrophobicContact CD1-CG1 3.37Å; F62-V192 HydrophobicContact CD2-CG1 4.27Å; F62-V192 HydrophobicContact CE1-CG1 4.08Å; F62-V192 HydrophobicContact CG-CG1 3.49Å; F62-V192 VanDerWaalsContact CG-CG1 3.49Å; F62-N194 WeakPolarHBondContact CD1-OD1 3.47Å; F62-N194 WeakPolarHBondContact CE1-OD1 3.18Å; F62-M206 HydrophobicContact CB-CE 4.43Å; F62-M206 WeakPolarHBondContact O-CE 3.5Å
63H92Very high78.6Confident45 Ų4556.7 Ų56.721%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-100.8139.2164-59.7-79.3000109.3T193 Y204H63-T193 HydrophobicContact CB-CG2 3.78Å; H63-T193 PolarHBondContact N-O 2.93Å; H63-T193 PolarHBondContact O-N 3.04Å; H63-Y204 WeakPolarHBondContact CA-O 3.39Å
64L91.6Very high75.9Confident1 Ų160.5 Ų60.51%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-106.7115.4178.6-56.9-179.1000108.7F59 L127 T129 L148 V190 E191 V192 C203 Y204 M206F59-L64 HydrophobicContact CE2-CD2 4.4Å; F59-L64 HydrophobicContact CZ-CD1 4.18Å; L64-L127 HydrophobicContact CD1-CD1 4.22Å; L64-T129 HydrophobicContact CD2-CG2 4.27Å; L64-L148 HydrophobicContact CD1-CD2 3.86Å; L64-V190 HydrophobicContact CB-CB 3.95Å; L64-V190 HydrophobicContact CB-CG1 4.38Å; L64-V190 HydrophobicContact CB-CG2 3.77Å; L64-V190 HydrophobicContact CD1-CG2 4.17Å; L64-V190 HydrophobicContact CD2-CG2 4.12Å; L64-V190 HydrophobicContact CG-CG2 4.23Å; L64-E191 WeakPolarHBondContact CA-O 3.19Å; L64-V192 HydrophobicContact CD2-CG2 3.61Å; L64-C203 CarbonylContact O-C 3.57Å; L64-C203 VanDerWaalsContact O-CA 3.28Å; L64-C203 WeakPolarHBondContact O-CA 3.49Å; L64-Y204 HydrophobicContact CB-CD2 4.45Å; L64-Y204 PolarHBondContact N-O 2.72Å; L64-Y204 VanDerWaalsContact O-CD2 3.29Å; L64-Y204 WeakPolarHBondContact O-CD2 3.31Å; L64-Y204 PolarHBondContact O-N 3.46Å; L64-M206 HydrophobicContact CD1-CE 4.01Å; L64-M206 HydrophobicContact CD1-SD 3.94Å; L64-M206 HydrophobicContact CD2-CE 4.32Å; L64-M206 HydrophobicContact CG-CE 3.88Å; L64-M206 HydrophobicContact CG-SD 4.44Å
65C90.3Very high73.2Confident3 Ų366.7 Ų66.72%0.0239%0.385CS..EExtended strand (participates in β ladder)trans-116135.8-176.5-62.90000111.6K67 V190 E191 P197 Q201 T202 C203C65-K67 PolarHBondContact O-N 2.9Å; C65-V190 CarbonylContact O-C 3.54Å; C65-V190 VanDerWaalsContact O-CA 3.25Å; C65-V190 WeakPolarHBondContact O-CA 3.27Å; C65-E191 PolarHBondContact N-O 3.14Å; C65-E191 PolarHBondContact O-N 3.43Å; C65-P197 VanDerWaalsContact SG-CD 3.59Å; C65-P197 VanDerWaalsContact SG-CG 3.58Å; C65-Q201 HydrophobicContact CB-CG 4.27Å; C65-T202 WeakPolarHBondContact CA-O 3.48Å; C65-C203 HydrophobicContact CB-CB 4.12Å; C65-C203 WeakPolarHBondContact CB-SG 3.24Å; C65-C203 WeakPolarHBondContact SG-CB 3.36Å; C65-C203 CovalentContact SG-SG 2.04Å; C65-C203 PolarHBondContact SG-SG 3.31Å
66E88.7Confident70.7Confident62 Ų6273.3 Ų73.329%0.2943%0.426SS..EExtended strand (participates in β ladder)trans-63.7126.5-178.8-64.1-172.7168.700111.3E68 V188 Q201 T202 Y204E66-E68 PolarHBondContact O-N 3.22Å; E66-V188 HydrophobicContact CB-CG1 4.35Å; E66-V188 HydrophobicContact CG-CG1 3.75Å; E66-Q201 VanDerWaalsContact O-CD 3.29Å; E66-Q201 VanDerWaalsContact O-CG 3.29Å; E66-Q201 WeakPolarHBondContact O-CG 3.29Å; E66-Q201 PolarHBondContact O-NE2 3.43Å; E66-T202 HydrophobicContact CG-CG2 4.48Å; E66-T202 PolarHBondContact N-O 3.21Å; E66-Y204 HydrophobicContact CG-CE2 3.98Å; E66-Y204 PolarHBondContact OE1-OH 2.86Å
67K81.2Confident67.5Low113 Ų11378.3 Ų78.349%0.49146%0.461SS..PPolyproline II helixtrans-63.2126.4-179.2-165.3174.9-174.3-1790111.5C65 N69 A70 P189C65-K67 PolarHBondContact O-N 2.9Å; K67-N69 PolarHBondContact O-N 3.21Å; K67-N69 VanDerWaalsContact O-N 3.15Å; K67-A70 HydrophobicContact CD-CB 3.85Å; K67-A70 HydrophobicContact CG-CB 4.44Å; K67-P189 PolarHBondContact N-O 3.29Å
68E65.3Low64.8Low159 Ų15980.5 Ų80.574%0.74348%0.48SS*.SBendtrans-60117.7170.4-94.2-170.9150.800109.7E66 A70E66-E68 PolarHBondContact O-N 3.22Å; E68-A70 PolarHBondContact O-N 3.19Å
69N55.9Low62.2Low159 Ų15987.7 Ų87.785%0.8552%0.515SS*.  trans13.779.2171.6-74.4-28.5000115.8K67 S71K67-N69 PolarHBondContact O-N 3.21Å; K67-N69 VanDerWaalsContact O-N 3.15Å; N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 3.36Å
70A40.9Very low59.1Low61 Ų6191.9 Ų91.950%0.50455%0.55SS.*  trans-80.678.9168.400000110.4K67 E68 S72K67-A70 HydrophobicContact CD-CB 3.85Å; K67-A70 HydrophobicContact CG-CB 4.44Å; E68-A70 PolarHBondContact O-N 3.19Å; A70-S72 PolarHBondContact O-N 3.37Å
71S39.4Very low56.3Low123 Ų12396.7 Ų96.786%0.8658%0.581SS**  trans-71.770.5156.445.70000109.8N69N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 3.36Å
72S32.8Very low53.4Low94 Ų94100.1 Ų100.166%0.65760%0.595SS**SBendtrans-168.6135161.2-175.60000109.9A70 A74A70-S72 PolarHBondContact O-N 3.37Å; S72-A74 PolarHBondContact O-N 2.86Å; S72-A74 VanDerWaalsContact O-N 3.14Å
73P41.3Very low50.3Low117 Ų117108 Ų10876%0.7663%0.632SS**  trans-72110.5-172.930.1-32.6000109.8H75P73-H75 PolarHBondContact O-N 3.2Å
74A33.9Very low47.3Very low89 Ų89112 Ų11274%0.73666%0.66SS**  trans-67.8108.4166.400000108.4S72 T76S72-A74 PolarHBondContact O-N 2.86Å; S72-A74 VanDerWaalsContact O-N 3.14Å; A74-T76 PolarHBondContact O-N 2.83Å
75H34.8Very low44.3Very low176 Ų176119.2 Ų119.282%0.81570%0.697SS**  trans0.1107.4162.9-67.7-72.8000116.5P73 S77P73-H75 PolarHBondContact O-N 3.2Å; H75-S77 PolarHBondContact O-N 3.02Å
76T38.6Very low41.4Very low139 Ų139127.4 Ų127.485%0.85374%0.735SS**  trans2.999.5150.8-25.80000115.8A74A74-T76 PolarHBondContact O-N 2.83Å
77S27.3Very low38.9Very low105 Ų105132.8 Ų132.873%0.73476%0.76SS**  trans-107.7136145.7-82.40000108.2H75 I79H75-S77 PolarHBondContact O-N 3.02Å; S77-I79 PolarHBondContact O-N 2.95Å
78P37Very low36.2Very low118 Ų118137.3 Ų137.377%0.76678%0.78SS**  trans-73.2104.5179.328.5-29.7000109.2
79I40Very low34.7Very low164 Ų164137 Ų13784%0.84178%0.783SS**  trans-75.4118.8154.2-62.3170000106S77S77-I79 PolarHBondContact O-N 2.95Å
80A29.4Very low33.3Very low89 Ų89139.1 Ų139.174%0.73679%0.785SS**  trans-123.4139.8152.700000108.1
81P35.3Very low32.7Very low118 Ų118144.7 Ų144.777%0.76680%0.798SS**  trans-83.3165.1-169.8316.8000113
82L33Very low32.4Very low154 Ų154144.9 Ų144.981%0.80679%0.788SS**  trans-32.4126.2167.9-145.980000114.6
83Q27.6Very low32.1Very low178 Ų178146 Ų14683%0.83280%0.795SS**  trans-142.2114.1155.7-74.2-167.3-21.800111.1
84T29.3Very low32.1Very low131 Ų131148 Ų14880%0.80480%0.798SS**  trans-80.2110.3165-300000108.4
85I28.2Very low31.9Very low151 Ų151150.7 Ų150.777%0.77480%0.8SS**  trans-146.6132.9158.2-57.2-175.6000110.5
86Q28.7Very low31.9Very low176 Ų176147.3 Ų147.382%0.82280%0.803SS**  trans-35.4140.9174.9-75.5177.5-61.600119.1
87E36.5Very low31.8Very low175 Ų175146.6 Ų146.682%0.81880%0.799SS**  trans14.7117.3131.3-164.3179.4-177.200119.4
88K24.8Very low32.6Very low207 Ų207153.2 Ų153.290%0.981%0.808SS**  trans-164.2128.4132.3-147.2168.3-175.8171.20113.3
89D33.1Very low33.1Very low153 Ų153152.7 Ų152.782%0.81881%0.806SS**  trans-42.3139.9168.8-85.2-59.8000115.9
90K28.1Very low34Very low203 Ų203148 Ų14888%0.88379%0.788SS**  -171.2107.8127.5-161.3166.4177.5-177.70114.5
91K28Very low36.7Very low178 Ų178147 Ų14777%0.77478%0.776SS**  trans23.7126.2144.1-102.2-166.4159.1-1740122.3
92I32Very low39.3Very low128 Ų128145.3 Ų145.366%0.65676%0.763SS**  trans73.9109.7139.1-52.7163000118.5
93S27.5Very low42Very low116 Ų116143.4 Ų143.481%0.81175%0.748SS**  -159.6141.2111.965.50000111.4
94I41.3Very low45Very low159 Ų159138.6 Ų138.682%0.81573%0.729SS**  trans-86.4111.4-176.3-59.6155.9000107.1
95N30.2Very low47.9Very low146 Ų146134.3 Ų134.378%0.78170%0.701SS**  trans-177.494.1140.7-101.70.5000107.1T97N95-T97 PolarHBondContact O-N 3.33Å
96A33.3Very low50.9Low105 Ų105130.4 Ų130.487%0.86868%0.679SS**  trans-72.480.3177.100000109.9R98A96-R98 PolarHBondContact O-N 3.4Å
97T38.1Very low53.9Low125 Ų125122.2 Ų122.277%0.76764%0.641SS**  trans-58.3118.1146.9-53.90000105.2N95 S99N95-T97 PolarHBondContact O-N 3.33Å; T97-S99 PolarHBondContact O-N 2.77Å
98R43.6Very low56.6Low244 Ų244116.4 Ų116.492%0.92161%0.613SS**  trans-53.389174.2-88.4-179.4180157.5-0.9108.7A96 S100A96-R98 PolarHBondContact O-N 3.4Å; R98-S100 PolarHBondContact O-N 3.44Å; R98-S100 VanDerWaalsContact O-N 3.13Å
99S47Very low59.8Low106 Ų106106.5 Ų106.574%0.74157%0.57SS**  trans-71.7103.9163.159.80000104.7T97 S101T97-S99 PolarHBondContact O-N 2.77Å; S99-S101 VanDerWaalsContact C-N 3.3Å; S99-S101 PolarHBondContact O-N 3.4Å
100S60Low62.6Low66 Ų66100 Ų10046%0.46254%0.537SS..  trans-60.898.917043.50000107.5R98 V102R98-S100 PolarHBondContact O-N 3.44Å; R98-S100 VanDerWaalsContact O-N 3.13Å; S100-V102 PolarHBondContact O-N 3.37Å
101S85Confident65.7Low67 Ų6790.4 Ų90.447%0.46950%0.495SS..PPolyproline II helixtrans-57.7129.1171.947.20000108S99 T166S99-S101 VanDerWaalsContact C-N 3.3Å; S99-S101 PolarHBondContact O-N 3.4Å; S101-T166 VanDerWaalsContact O-CG2 3.25Å; S101-T166 WeakPolarHBondContact O-CG2 3.37Å; S101-T166 PolarHBondContact O-N 3.22Å; S101-T166 PolarHBondContact O-OG1 3.01Å; S101-T166 WeakPolarHBondContact OG-CG2 3.04Å; S101-T166 PolarHBondContact OG-OG1 2.88Å
102V89.3Confident68.6Low84 Ų8482.9 Ų82.951%0.50947%0.466SS..EExtended strand (participates in β ladder)trans-87.4127.4174.41780000107.4S100 R163S100-V102 PolarHBondContact O-N 3.37Å; V102-R163 HydrophobicContact CG1-CG 3.66Å
103K90.3Very high71.4Confident113 Ų11377.6 Ų77.649%0.49144%0.439SS..EExtended strand (participates in β ladder)trans-99.7145.5172-97-178.3-160.5174.30109.9R163 A164 T166 L169K103-R163 WeakPolarHBondContact O-CA 3.07Å; K103-A164 PolarHBondContact N-O 2.9Å; K103-A164 PolarHBondContact O-N 3.02Å; K103-A164 VanDerWaalsContact O-N 3.09Å; K103-T166 HydrophobicContact CB-CG2 3.87Å; K103-T166 HydrophobicContact CD-CG2 3.52Å; K103-T166 VanDerWaalsContact CE-CG2 3.48Å; K103-T166 HydrophobicContact CG-CG2 3.37Å; K103-L169 HydrophobicContact CB-CD1 3.84Å
104D90Very high74.2Confident78 Ų7876.6 Ų76.642%0.41742%0.424SS..EExtended strand (participates in β ladder)trans-117.9121.6170.6-159.7-16.6000107.2H106 T161D104-H106 IonicContact OD1-CE1 3.41Å; D104-T161 VanDerWaalsContact OD1-CG2 3.25Å; D104-T161 WeakPolarHBondContact OD1-CG2 3.2Å
105L90.7Very high76.4Confident41 Ų4170.3 Ų70.322%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-126.4132.2-175.8-62174.6000109.7W52 L107 T161 I162 L169W52-L105 HydrophobicContact CH2-CD1 4.02Å; W52-L105 HydrophobicContact CZ2-CD1 4.11Å; L105-L107 HydrophobicContact CB-CD1 4.15Å; L105-L107 HydrophobicContact CB-CD2 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.5Å; L105-T161 CarbonylContact O-C 3.49Å; L105-T161 VanDerWaalsContact O-CA 3.25Å; L105-T161 WeakPolarHBondContact O-CA 2.95Å; L105-I162 HydrophobicContact CB-CG2 3.8Å; L105-I162 HydrophobicContact CD1-CG2 4.37Å; L105-I162 PolarHBondContact N-O 2.63Å; L105-I162 PolarHBondContact O-N 2.74Å; L105-L169 HydrophobicContact CD1-CD1 4Å
106H92.1Very high78.8Confident68 Ų6866.3 Ų66.332%0.31538%0.378SS..EExtended strand (participates in β ladder)trans-109109.3174-53.8-72.4000109D104 T161 S177 C178 V180D104-H106 IonicContact OD1-CE1 3.41Å; H106-T161 VanDerWaalsContact CE1-CG2 3.46Å; H106-T161 WeakPolarHBondContact CE1-CG2 2.8Å; H106-T161 WeakPolarHBondContact ND1-CG2 3.18Å; H106-T161 PolarHBondContact ND1-OG1 3.43Å; H106-S177 CarbonylContact O-C 3.51Å; H106-S177 WeakPolarHBondContact O-CA 3.35Å; H106-C178 PolarHBondContact O-N 2.79Å; H106-V180 HydrophobicContact CB-CG2 4.26Å
107L92.1Very high80.8Confident4 Ų463.2 Ų63.22%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-121.4128.2-164-59.9174000110.7W52 L105 V109 L160 I162 V174 P175 C178W52-L107 HydrophobicContact CE3-CD1 3.94Å; W52-L107 HydrophobicContact CH2-CD1 3.18Å; W52-L107 HydrophobicContact CZ2-CD1 3.84Å; W52-L107 HydrophobicContact CZ3-CD1 3.22Å; L105-L107 HydrophobicContact CB-CD1 4.15Å; L105-L107 HydrophobicContact CB-CD2 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.5Å; L107-V109 HydrophobicContact CB-CG1 3.86Å; L107-V109 PolarHBondContact O-N 2.91Å; L107-L160 PolarHBondContact N-O 2.91Å; L107-L160 PolarHBondContact O-N 2.9Å; L107-I162 HydrophobicContact CD1-CG2 3.84Å; L107-V174 HydrophobicContact CD2-CG1 3.76Å; L107-P175 HydrophobicContact CB-CB 4.14Å; L107-P175 HydrophobicContact CB-CG 4.37Å; L107-P175 HydrophobicContact CD1-CG 4.3Å; L107-P175 HydrophobicContact CD2-CB 4.26Å; L107-P175 HydrophobicContact CD2-CG 4.41Å; L107-C178 PolarHBondContact O-SG 3.49Å
108H91.6Very high81.8Confident53 Ų5363.9 Ų63.925%0.24536%0.356CS..EExtended strand (participates in β ladder)trans-81.6111171.4-171-99.1000108.2H157 P175 P176 C178H108-H157 VanDerWaalsContact CE1-CB 3.41Å; H108-H157 WeakPolarHBondContact CE1-CB 3.41Å; H108-H157 AromaticContact CE1-CD2 3.6Å; H108-H157 AromaticContact CE1-CG 3.47Å; H108-H157 VanDerWaalsContact CE1-CG 3.47Å; H108-H157 AromaticContact ND1-CD2 4Å; H108-H157 WeakPolarHBondContact NE2-CB 3.05Å; H108-H157 AromaticContact NE2-CG 4Å; H108-P175 WeakPolarHBondContact O-CB 3.45Å; H108-P176 HydrophobicContact CB-CB 4.37Å; H108-P176 WeakPolarHBondContact CB-O 3.4Å; H108-P176 PolarHBondContact N-O 3.34Å; H108-C178 PolarHBondContact N-SG 2.68Å; H108-C178 VanDerWaalsContact N-SG 3.38Å
109V92.9Very high82.2Confident0 Ų057.3 Ų57.30%035%0.347CS..EExtended strand (participates in β ladder)trans-128.5145.7-169.2-630000111.9L56 L107 L111 H157 I158 L160 P175L56-V109 HydrophobicContact CD1-CB 3.95Å; L56-V109 HydrophobicContact CD1-CG1 3.94Å; L56-V109 HydrophobicContact CD2-CB 4.07Å; L56-V109 HydrophobicContact CD2-CG1 4.07Å; L56-V109 HydrophobicContact CD2-CG2 4.12Å; L107-V109 HydrophobicContact CB-CG1 3.86Å; L107-V109 PolarHBondContact O-N 2.91Å; V109-L111 HydrophobicContact CG2-CB 4.26Å; V109-L111 PolarHBondContact O-N 2.9Å; V109-H157 VanDerWaalsContact O-CA 3.26Å; V109-H157 WeakPolarHBondContact O-CA 3.33Å; V109-I158 HydrophobicContact CG2-CD1 4.37Å; V109-I158 HydrophobicContact CG2-CG1 3.68Å; V109-I158 PolarHBondContact N-O 3.32Å; V109-I158 PolarHBondContact O-N 3.16Å; V109-L160 HydrophobicContact CG1-CB 4.45Å; V109-L160 HydrophobicContact CG2-CB 3.69Å; V109-L160 HydrophobicContact CG2-CD2 4.4Å; V109-P175 HydrophobicContact CG1-CB 4.04Å; V109-P175 HydrophobicContact CG1-CG 4.02Å
110P92.6Very high82.6Confident17 Ų1754 Ų5411%0.1133%0.331CS..  trans-80.570.1-178.233-34.5000111.2E156 F208 R209 D211 L214P110-E156 CarbonylContact C-O 3.47Å; P110-F208 HydrophobicContact CG-CE2 3.94Å; P110-F208 VanDerWaalsContact O-CD2 3.23Å; P110-F208 WeakPolarHBondContact O-CD2 3.34Å; P110-R209 PolarHBondContact O-N 3.03Å; P110-D211 HydrophobicContact CG-CB 4Å; P110-L214 HydrophobicContact CG-CD1 4.44Å
111L91.6Very high82.6Confident0 Ų056 Ų560%034%0.34CS..EExtended strand (participates in β ladder)trans-124.3122.8177.4-163.373.4000108.4F59 V109 L148 E156 I158 M206 F208F59-L111 HydrophobicContact CD1-CD2 4.07Å; F59-L111 HydrophobicContact CE1-CD2 4.1Å; V109-L111 HydrophobicContact CG2-CB 4.26Å; V109-L111 PolarHBondContact O-N 2.9Å; L111-L148 HydrophobicContact CD2-CD2 4.45Å; L111-E156 CarbonylContact C-O 3.38Å; L111-E156 PolarHBondContact N-O 2.81Å; L111-E156 VanDerWaalsContact N-O 3.16Å; L111-I158 HydrophobicContact CB-CD1 4.01Å; L111-I158 HydrophobicContact CB-CG1 3.97Å; L111-I158 HydrophobicContact CD2-CD1 3.61Å; L111-I158 HydrophobicContact CD2-CG1 4.47Å; L111-I158 HydrophobicContact CG-CD1 4.29Å; L111-I158 WeakPolarHBondContact O-CG2 3.02Å; L111-M206 HydrophobicContact CD1-CB 4.05Å; L111-M206 HydrophobicContact CD2-CB 4.11Å; L111-M206 HydrophobicContact CD2-CG 4.03Å; L111-M206 HydrophobicContact CD2-SD 3.69Å; L111-M206 HydrophobicContact CG-CB 4.06Å; L111-M206 HydrophobicContact CG-CG 4.41Å; L111-F208 HydrophobicContact CD1-CB 3.62Å; L111-F208 HydrophobicContact CD1-CD2 4.04Å; L111-F208 HydrophobicContact CD1-CG 4.28Å
112A90.1Very high81.7Confident21 Ų2155 Ų5517%0.17433%0.329CS..EExtended strand (participates in β ladder)trans-95141172.400000109.9S155 M206 H207A112-S155 VanDerWaalsContact CB-O 3.27Å; A112-S155 WeakPolarHBondContact CB-O 3.17Å; A112-M206 CarbonylContact O-C 3.5Å; A112-M206 VanDerWaalsContact O-CA 3.26Å; A112-M206 WeakPolarHBondContact O-CA 3.39Å; A112-H207 HydrophobicContact CB-CB 4.38Å; A112-H207 PolarHBondContact N-O 2.95Å; A112-H207 PolarHBondContact O-N 2.94Å
113V89.3Confident80.6Confident16 Ų1657 Ų5710%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-113.6130.4179.5-1760000109.9I150 I158 Y204 S205 M206V113-I150 HydrophobicContact CB-CD1 3.93Å; V113-I150 HydrophobicContact CB-CG1 4.17Å; V113-I150 HydrophobicContact CG1-CD1 3.92Å; V113-I150 HydrophobicContact CG2-CD1 4.37Å; V113-I150 HydrophobicContact CG2-CG1 4.14Å; V113-I158 HydrophobicContact CG2-CD1 4.47Å; V113-I158 HydrophobicContact CG2-CG2 3.88Å; V113-Y204 HydrophobicContact CG1-CD1 4.16Å; V113-Y204 HydrophobicContact CG1-CG 4.38Å; V113-S205 WeakPolarHBondContact CA-O 3.41Å; V113-M206 HydrophobicContact CG2-CG 4.34Å
114I88Confident79.7Confident96 Ų9656.3 Ų56.349%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-121.2125.5-179.1-56.9167.7000108.6Y204 S205I114-Y204 CarbonylContact O-C 3.51Å; I114-Y204 VanDerWaalsContact O-CA 3.29Å; I114-Y204 WeakPolarHBondContact O-CA 3.34Å; I114-S205 PolarHBondContact N-O 3.03Å; I114-S205 PolarHBondContact O-N 3.3Å
115S86.1Confident79.3Confident26 Ų2654 Ų5418%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-84.8140.7175.2171.80000111.1S117S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact OG-N 2.84Å; S115-S117 PolarHBondContact OG-O 2.73Å
116S82.1Confident79.1Confident63 Ų6352.6 Ų52.644%0.44131%0.313SS..SBendtrans-72.2-23.6168.664.70000112.9C203S116-C203 PolarHBondContact N-O 3.42Å; S116-C203 PolarHBondContact OG-N 3.25Å; S116-C203 PolarHBondContact OG-O 3.3Å
117S73.9Confident79.1Confident39 Ų3949.5 Ų49.527%0.27330%0.299SS..  trans-92.4124.6179.11790000111.2S115 S119S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact OG-N 2.84Å; S115-S117 PolarHBondContact OG-O 2.73Å; S117-S119 PolarHBondContact O-N 2.89Å
118P59.2Low79Confident140 Ų14053.3 Ų53.391%0.90932%0.316SS*.THydrogen-bonded Turntrans-72.9-12179.428.7-34000113.8
119S52.2Low79.1Confident105 Ų10551.5 Ų51.573%0.73431%0.308SS*.THydrogen-bonded Turntrans-99.5-6.4-178.3-171.60000113.6S117 T121S117-S119 PolarHBondContact O-N 2.89Å; S119-T121 PolarHBondContact O-N 3.23Å
120G56.3Low79.2Confident38 Ų3854.9 Ų54.939%0.39233%0.329SS..  trans-79111.5-176.700000112L122G120-L122 PolarHBondContact O-N 2.87Å
121T58.8Low79.2Confident108 Ų10854.3 Ų54.366%0.66333%0.325SS*.  trans-69.3110.3167.1540000108.9S119 K123 I125S119-T121 PolarHBondContact O-N 3.23Å; T121-K123 PolarHBondContact O-N 3.38Å; T121-K123 VanDerWaalsContact O-N 3.14Å; T121-I125 VanDerWaalsContact O-CD1 3.3Å; T121-I125 WeakPolarHBondContact O-CD1 3.47Å
122L66.7Low79.3Confident44 Ų4456.5 Ų56.523%0.2334%0.338CS..  trans-71.1-0.7176.9-68.9177000113.9G120 I150 Y204G120-L122 PolarHBondContact O-N 2.87Å; L122-I150 HydrophobicContact CB-CD1 3.82Å; L122-I150 HydrophobicContact CB-CG2 4.42Å; L122-I150 HydrophobicContact CD1-CD1 4.26Å; L122-I150 HydrophobicContact CD2-CD1 3.69Å; L122-I150 HydrophobicContact CG-CD1 4.13Å; L122-Y204 HydrophobicContact CD2-CD1 3.91Å; L122-Y204 HydrophobicContact CD2-CE1 3.55Å
123K65.9Low79.4Confident128 Ų12855.5 Ų55.556%0.55733%0.33SS*.THydrogen-bonded Turntrans-80.5136.9178.4-62-173.7177.1-174.30109.3T121 I125 P152T121-K123 PolarHBondContact O-N 3.38Å; T121-K123 VanDerWaalsContact O-N 3.14Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.32Å; K123-P152 HydrophobicContact CD-CB 4.21Å; K123-P152 HydrophobicContact CG-CB 4.24Å
124D71.3Confident79.5Confident98 Ų9861.8 Ų61.852%0.52436%0.356SS..THydrogen-bonded Turntrans64.630.7175.4-50.6-48.9000115.6I185 S186D124-I185 HydrophobicContact CB-CG1 4.43Å; D124-I185 WeakPolarHBondContact O-CG2 3.43Å; D124-S186 PolarHBondContact O-N 3.2Å; D124-S186 VanDerWaalsContact O-N 3.13Å
125I80.9Confident79.7Confident28 Ų2861 Ų6114%0.14435%0.35CS..EExtended strand (participates in β ladder)trans-113.9135.2171.6-59.2175.9000109.9T121 K123 L127 V188T121-I125 VanDerWaalsContact O-CD1 3.3Å; T121-I125 WeakPolarHBondContact O-CD1 3.47Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.32Å; I125-L127 HydrophobicContact CG2-CD2 3.66Å; I125-L127 HydrophobicContact CG2-CG 4.37Å; I125-V188 HydrophobicContact CG2-CB 4.28Å; I125-V188 HydrophobicContact CG2-CG2 3.79Å
126V88.4Confident80Confident13 Ų1359.7 Ų59.78%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-113.2113.9166.1166.90000108.8A147 L148 R149 I185 S186 R187 V188V126-A147 HydrophobicContact CG1-CB 3.96Å; V126-L148 VanDerWaalsContact CA-O 3.29Å; V126-L148 WeakPolarHBondContact CA-O 3.34Å; V126-R149 HydrophobicContact CG2-CB 3.92Å; V126-R149 HydrophobicContact CG2-CG 4.14Å; V126-I185 HydrophobicContact CB-CG2 3.9Å; V126-I185 HydrophobicContact CG2-CG2 3.38Å; V126-S186 PolarHBondContact N-O 3.35Å; V126-R187 HydrophobicContact CB-CG 4.26Å; V126-R187 HydrophobicContact CG1-CG 4.34Å; V126-R187 CarbonylContact O-C 3.57Å; V126-R187 WeakPolarHBondContact O-CA 3.49Å; V126-V188 PolarHBondContact O-N 2.99Å
127L90.4Very high80.4Confident2 Ų263 Ų631%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-82.6128.4173.7-52.6178.1000108.2L64 I125 A147 L148 V188 V190 Y204L64-L127 HydrophobicContact CD1-CD1 4.22Å; I125-L127 HydrophobicContact CG2-CD2 3.66Å; I125-L127 HydrophobicContact CG2-CG 4.37Å; L127-A147 CarbonylContact O-C 3.36Å; L127-A147 VanDerWaalsContact O-CA 3.26Å; L127-A147 WeakPolarHBondContact O-CA 3.42Å; L127-L148 HydrophobicContact CB-CB 4.36Å; L127-L148 PolarHBondContact N-O 3.01Å; L127-L148 PolarHBondContact O-N 2.83Å; L127-V188 HydrophobicContact CD2-CB 4.2Å; L127-V190 HydrophobicContact CB-CG1 4.26Å; L127-V190 HydrophobicContact CB-CG2 4.18Å; L127-V190 HydrophobicContact CD2-CG1 3.89Å; L127-Y204 HydrophobicContact CD1-CD1 4.19Å; L127-Y204 HydrophobicContact CD1-CD2 3.51Å; L127-Y204 HydrophobicContact CD1-CE2 3.96Å; L127-Y204 HydrophobicContact CD1-CG 3.63Å; L127-Y204 HydrophobicContact CD2-CD2 3.88Å; L127-Y204 HydrophobicContact CD2-CE2 3.43Å; L127-Y204 VanDerWaalsContact CD2-CE2 3.43Å; L127-Y204 HydrophobicContact CG-CD2 4.35Å; L127-Y204 HydrophobicContact CG-CE2 4.35Å
128F91.8Very high81Confident85 Ų8561.2 Ų61.237%0.37334%0.335SS..EExtended strand (participates in β ladder)trans-124.5136.9178.174.6-92.8000112L146 A147 R187 V188 P189 V190F128-L146 WeakPolarHBondContact CA-O 3.48Å; F128-A147 HydrophobicContact CB-CB 4.45Å; F128-R187 HydrophobicContact CD1-CB 4.07Å; F128-R187 HydrophobicContact CE1-CB 4.14Å; F128-V188 VanDerWaalsContact CD1-C 3.4Å; F128-V188 VanDerWaalsContact CD1-O 3.25Å; F128-V188 WeakPolarHBondContact CD1-O 3.36Å; F128-V188 PolarHBondContact N-O 3.01Å; F128-P189 HydrophobicContact CE1-CB 3.74Å; F128-P189 VanDerWaalsContact CE1-CD 3.49Å; F128-P189 HydrophobicContact CE1-CG 4.11Å; F128-P189 HydrophobicContact CE2-CB 3.76Å; F128-P189 VanDerWaalsContact CZ-CA 3.45Å; F128-P189 HydrophobicContact CZ-CB 3.31Å; F128-P189 HydrophobicContact CZ-CG 3.91Å; F128-V190 WeakPolarHBondContact O-CG2 3.35Å; F128-V190 PolarHBondContact O-N 3.26Å
129T93.2Very high82.3Confident14 Ų1455.7 Ų55.79%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-150.2168.9179.3-160.90000111.4L64 L146 V190 V192L64-T129 HydrophobicContact CD2-CG2 4.27Å; T129-L146 HydrophobicContact CG2-CB 4.24Å; T129-L146 PolarHBondContact N-O 3.4Å; T129-L146 PolarHBondContact O-N 2.8Å; T129-V190 WeakPolarHBondContact CB-O 3.43Å; T129-V190 PolarHBondContact OG1-O 2.91Å; T129-V192 HydrophobicContact CG2-CG2 3.92Å; T129-V192 WeakPolarHBondContact OG1-CG2 3.49Å
130T93.8Very high84Confident72 Ų7256.5 Ų56.544%0.44230%0.3SS..EExtended strand (participates in β ladder)trans-132.1131.6175.4-60.50000108.9L143 V144 S145T130-L143 HydrophobicContact CG2-CB 4.15Å; T130-L143 HydrophobicContact CG2-CD2 4.27Å; T130-V144 WeakPolarHBondContact CA-O 3.43Å; T130-S145 PolarHBondContact OG1-OG 3.27Å
131L93.1Very high85.6Confident4 Ų463.9 Ų63.92%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-124.9162.5-179.6-76.1173000110.4F59 F62 Q135 L136 V144 L146 V192F59-L131 HydrophobicContact CD2-CD1 3.9Å; F59-L131 HydrophobicContact CE2-CD1 4Å; F62-L131 HydrophobicContact CD2-CD1 4.32Å; F62-L131 HydrophobicContact CE2-CD1 4.36Å; L131-Q135 HydrophobicContact CD2-CB 4.43Å; L131-L136 HydrophobicContact CB-CD1 4.24Å; L131-L136 HydrophobicContact CB-CG 4.29Å; L131-L136 HydrophobicContact CD1-CD2 3.76Å; L131-L136 HydrophobicContact CD1-CG 4.2Å; L131-V144 PolarHBondContact N-O 3.15Å; L131-V144 PolarHBondContact O-N 3.09Å; L131-L146 HydrophobicContact CD1-CD1 4.02Å; L131-V192 HydrophobicContact CD1-CG2 4.27Å; L131-V192 HydrophobicContact CD2-CB 3.9Å; L131-V192 HydrophobicContact CD2-CG1 3.8Å; L131-V192 HydrophobicContact CD2-CG2 3.74Å; L131-V192 HydrophobicContact CG-CG2 4.06Å
132T93.6Very high87.2Confident46 Ų4661.3 Ų61.328%0.28230%0.301SS..EExtended strand (participates in β ladder)trans-82.8147.2167.961.40000110.4K134 Q135 L136 E142 L143T132-K134 PolarHBondContact O-N 3.16Å; T132-Q135 WeakPolarHBondContact O-CB 3.2Å; T132-Q135 PolarHBondContact O-N 2.79Å; T132-Q135 VanDerWaalsContact OG1-CD 3.28Å; T132-Q135 VanDerWaalsContact OG1-CG 3.25Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.41Å; T132-Q135 PolarHBondContact OG1-N 3.12Å; T132-Q135 PolarHBondContact OG1-OE1 2.76Å; T132-L136 PolarHBondContact O-N 2.85Å; T132-E142 CarbonylContact C-O 3.52Å; T132-E142 WeakPolarHBondContact CA-O 3.29Å; T132-L143 HydrophobicContact CG2-CD2 4.22Å
133A91.8Very high88.4Confident0 Ų064.6 Ų64.60%032%0.319CS..THydrogen-bonded Turntrans-55.9-34.2177.200000112.1Q135 L136 K137 L138 G139 E142 V144 I168A133-Q135 PolarHBondContact O-N 2.75Å; A133-L136 CarbonylContact O-C 3.53Å; A133-L136 PolarHBondContact O-N 2.86Å; A133-L136 VanDerWaalsContact O-N 3.15Å; A133-K137 PolarHBondContact O-N 3.1Å; A133-K137 VanDerWaalsContact O-N 3.1Å; A133-L138 HydrophobicContact CB-CB 4.38Å; A133-L138 PolarHBondContact O-N 3.46Å; A133-G139 CarbonylContact C-O 3.59Å; A133-G139 PolarHBondContact O-N 2.88Å; A133-E142 HydrophobicContact CB-CB 4.26Å; A133-E142 PolarHBondContact N-O 2.95Å; A133-V144 HydrophobicContact CB-CG2 4.23Å; A133-I168 HydrophobicContact CB-CD1 3.7Å
134K92.1Very high89.7Confident149 Ų14958.5 Ų58.565%0.64829%0.292SS*.THydrogen-bonded Turntrans-62.2-38.4174.3-176.4174.7-1781790113.6T132 L136 K137 G139 D140T132-K134 PolarHBondContact O-N 3.16Å; K134-L136 PolarHBondContact O-N 3.48Å; K134-K137 PolarHBondContact O-N 3.37Å; K134-G139 WeakPolarHBondContact CA-O 3.43Å; K134-G139 WeakPolarHBondContact CB-O 3.18Å; K134-G139 PolarHBondContact N-O 3.27Å; K134-G139 VanDerWaalsContact N-O 3.11Å; K134-D140 WeakPolarHBondContact CB-O 3.48Å; K134-D140 PolarHBondContact N-O 3.29Å; K134-D140 VanDerWaalsContact N-O 3.09Å
135Q91.9Very high90.8Very high78 Ų7856.4 Ų56.436%0.36429%0.285SS..THydrogen-bonded Turntrans-66.8-25.5176.3-73.2166.7-57.500112.3S58 F62 L131 T132 A133S58-Q135 PolarHBondContact OG-O 3.36Å; F62-Q135 HydrophobicContact CZ-CB 4.05Å; L131-Q135 HydrophobicContact CD2-CB 4.43Å; T132-Q135 WeakPolarHBondContact O-CB 3.2Å; T132-Q135 PolarHBondContact O-N 2.79Å; T132-Q135 VanDerWaalsContact OG1-CD 3.28Å; T132-Q135 VanDerWaalsContact OG1-CG 3.25Å; T132-Q135 WeakPolarHBondContact OG1-CG 3.41Å; T132-Q135 PolarHBondContact OG1-N 3.12Å; T132-Q135 PolarHBondContact OG1-OE1 2.76Å; A133-Q135 PolarHBondContact O-N 2.75Å
136L91.9Very high91.5Very high0 Ų055.3 Ų55.30%028%0.279CS..THydrogen-bonded Turntrans-96.52.8177.8-63.8175.2000113.5F59 L131 T132 A133 K134 L138 V144 L146F59-L136 HydrophobicContact CB-CD2 3.9Å; F59-L136 HydrophobicContact CD2-CD2 3.95Å; F59-L136 HydrophobicContact CG-CD2 4.27Å; L131-L136 HydrophobicContact CB-CD1 4.24Å; L131-L136 HydrophobicContact CB-CG 4.29Å; L131-L136 HydrophobicContact CD1-CD2 3.76Å; L131-L136 HydrophobicContact CD1-CG 4.2Å; T132-L136 PolarHBondContact O-N 2.85Å; A133-L136 CarbonylContact O-C 3.53Å; A133-L136 PolarHBondContact O-N 2.86Å; A133-L136 VanDerWaalsContact O-N 3.15Å; K134-L136 PolarHBondContact O-N 3.48Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 HydrophobicContact CB-CD1 4.06Å; L136-L138 HydrophobicContact CB-CG 4.06Å; L136-L138 HydrophobicContact CD1-CD1 4.41Å; L136-L138 PolarHBondContact O-N 3Å; L136-V144 HydrophobicContact CD1-CB 3.84Å; L136-V144 HydrophobicContact CD1-CG1 3.66Å; L136-V144 HydrophobicContact CD1-CG2 4.23Å; L136-L146 HydrophobicContact CD1-CD1 4.08Å; L136-L146 HydrophobicContact CD2-CD1 4.31Å
137K90.3Very high91.7Very high132 Ų13255.8 Ų55.857%0.57429%0.285SS*.THydrogen-bonded Turntrans56.734.1-174.5-56.7-178.6178-177.50114.1T54 A133 K134T54-K137 HydrophobicContact CG2-CB 4.15Å; T54-K137 HydrophobicContact CG2-CD 3.94Å; A133-K137 PolarHBondContact O-N 3.1Å; A133-K137 VanDerWaalsContact O-N 3.1Å; K134-K137 PolarHBondContact O-N 3.37Å
138L88.1Confident91.7Very high2 Ų255.8 Ų55.81%0.0129%0.285CS..SBendtrans-106-20.6179.4-68179.5000113.9Q50 L55 A133 L136 P170Q50-L138 PolarHBondContact NE2-O 2.93Å; Q50-L138 VanDerWaalsContact NE2-O 3.13Å; Q50-L138 PolarHBondContact OE1-O 3.41Å; L55-L138 HydrophobicContact CB-CD2 4.16Å; L55-L138 HydrophobicContact CD1-CD1 3.55Å; L55-L138 HydrophobicContact CD1-CD2 3.94Å; L55-L138 HydrophobicContact CD1-CG 4.16Å; L55-L138 HydrophobicContact CG-CD1 3.93Å; L55-L138 HydrophobicContact CG-CD2 4.18Å; L55-L138 HydrophobicContact CG-CG 4.22Å; A133-L138 HydrophobicContact CB-CB 4.38Å; A133-L138 PolarHBondContact O-N 3.46Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 HydrophobicContact CB-CD1 4.06Å; L136-L138 HydrophobicContact CB-CG 4.06Å; L136-L138 HydrophobicContact CD1-CD1 4.41Å; L136-L138 PolarHBondContact O-N 3Å; L138-P170 HydrophobicContact CD2-CG 3.63Å
139G86.3Confident91.6Very high23 Ų2354.7 Ų54.724%0.23728%0.278CS..  trans177.3-152.9-174.700000110.9A133 K134A133-G139 CarbonylContact C-O 3.59Å; A133-G139 PolarHBondContact O-N 2.88Å; K134-G139 WeakPolarHBondContact CA-O 3.43Å; K134-G139 WeakPolarHBondContact CB-O 3.18Å; K134-G139 PolarHBondContact N-O 3.27Å; K134-G139 VanDerWaalsContact N-O 3.11Å
140D87Confident91.2Very high123 Ų12355.1 Ų55.166%0.65828%0.28SS*.SBendtrans-103.1-93.7-176.3-70.2-46.2000112.3K134K134-D140 WeakPolarHBondContact CB-O 3.48Å; K134-D140 PolarHBondContact N-O 3.29Å; K134-D140 VanDerWaalsContact N-O 3.09Å
141K89.8Confident90.4Very high192 Ų19254.1 Ų54.184%0.83527%0.271SS*.SBendtrans-102.3-2.7-162.8-61.9180-176.11770114.4
142E92Very high89.3Confident54 Ų5458.1 Ų58.125%0.25230%0.298SS..  trans-70.6149.3-176-58.3-170.4128.200111.1T132 A133 P165 H167 I168T132-E142 CarbonylContact C-O 3.52Å; T132-E142 WeakPolarHBondContact CA-O 3.29Å; A133-E142 HydrophobicContact CB-CB 4.26Å; A133-E142 PolarHBondContact N-O 2.95Å; E142-P165 HydrophobicContact CB-CG 4.41Å; E142-H167 IonicContact OE1-CE1 3.37Å; E142-H167 PolarHBondContact OE1-CE1 3.48Å; E142-H167 IonicContact OE1-NE2 3.87Å; E142-H167 PolarHBondContact OE1-NE2 3.17Å; E142-H167 IonicContact OE2-CE1 2.96Å; E142-H167 PolarHBondContact OE2-CE1 2.63Å; E142-H167 IonicContact OE2-NE2 3.26Å; E142-H167 PolarHBondContact OE2-NE2 2.71Å; E142-I168 HydrophobicContact CB-CD1 4.1Å; E142-I168 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I168 WeakPolarHBondContact OE2-CG1 3.26Å; E142-I168 WeakPolarHBondContact OE2-CG2 3.26Å
143L92.1Very high88.3Confident114 Ų11465.4 Ų65.460%0.59733%0.329SS*.EExtended strand (participates in β ladder)trans-91.8136.7178.8-64.4174.7000109.9T130 T132T130-L143 HydrophobicContact CG2-CB 4.15Å; T130-L143 HydrophobicContact CG2-CD2 4.27Å; T132-L143 HydrophobicContact CG2-CD2 4.22Å
144V93.9Very high87.5Confident0 Ų067.7 Ų67.70%034%0.341CS..EExtended strand (participates in β ladder)trans-122.5116.2179.2179.70000107.7T130 L131 A133 L136 L146 I162 A164 I168T130-V144 WeakPolarHBondContact CA-O 3.43Å; L131-V144 PolarHBondContact N-O 3.15Å; L131-V144 PolarHBondContact O-N 3.09Å; A133-V144 HydrophobicContact CB-CG2 4.23Å; L136-V144 HydrophobicContact CD1-CB 3.84Å; L136-V144 HydrophobicContact CD1-CG1 3.66Å; L136-V144 HydrophobicContact CD1-CG2 4.23Å; V144-L146 HydrophobicContact CG1-CD2 3.87Å; V144-L146 HydrophobicContact CG1-CG 4.24Å; V144-I162 HydrophobicContact CG1-CD1 3.79Å; V144-I162 HydrophobicContact CG1-CG1 3.71Å; V144-A164 HydrophobicContact CB-CB 4.5Å; V144-A164 HydrophobicContact CG1-CB 4.19Å; V144-A164 HydrophobicContact CG2-CB 4.01Å; V144-I168 HydrophobicContact CG2-CD1 3.88Å
145S94.9Very high86.8Confident54 Ų5465.2 Ų65.238%0.37834%0.343SS..EExtended strand (participates in β ladder)trans-90.5131.1175-61.10000109.6T130 R163T130-S145 PolarHBondContact OG1-OG 3.27Å; S145-R163 PolarHBondContact N-O 3.32Å; S145-R163 PolarHBondContact O-N 3.44Å
146L94.6Very high86.5Confident4 Ų467.2 Ų67.22%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-122.3135.6-178.5-60.2176.1000109.7F59 F128 T129 L131 L136 V144 L148 L160 T161 I162F59-L146 HydrophobicContact CD2-CD1 3.65Å; F59-L146 HydrophobicContact CE1-CD1 4.34Å; F59-L146 HydrophobicContact CE2-CD1 3.44Å; F59-L146 VanDerWaalsContact CE2-CD1 3.44Å; F59-L146 HydrophobicContact CG-CD1 4.24Å; F59-L146 HydrophobicContact CZ-CD1 3.83Å; F128-L146 WeakPolarHBondContact CA-O 3.48Å; T129-L146 HydrophobicContact CG2-CB 4.24Å; T129-L146 PolarHBondContact N-O 3.4Å; T129-L146 PolarHBondContact O-N 2.8Å; L131-L146 HydrophobicContact CD1-CD1 4.02Å; L136-L146 HydrophobicContact CD1-CD1 4.08Å; L136-L146 HydrophobicContact CD2-CD1 4.31Å; V144-L146 HydrophobicContact CG1-CD2 3.87Å; V144-L146 HydrophobicContact CG1-CG 4.24Å; L146-L148 HydrophobicContact CB-CD1 4.29Å; L146-L160 HydrophobicContact CB-CD1 4.45Å; L146-L160 HydrophobicContact CD2-CD1 4.28Å; L146-T161 CarbonylContact C-O 3.53Å; L146-T161 WeakPolarHBondContact CA-O 3.32Å; L146-I162 HydrophobicContact CD2-CB 3.85Å; L146-I162 HydrophobicContact CD2-CD1 3.87Å; L146-I162 HydrophobicContact CD2-CG1 3.65Å
147A92.2Very high86.4Confident24 Ų2469.5 Ų69.520%0.19836%0.362CS..EExtended strand (participates in β ladder)trans-131.2126.2169.800000110.6V126 L127 F128 T161V126-A147 HydrophobicContact CG1-CB 3.96Å; L127-A147 CarbonylContact O-C 3.36Å; L127-A147 VanDerWaalsContact O-CA 3.26Å; L127-A147 WeakPolarHBondContact O-CA 3.42Å; F128-A147 HydrophobicContact CB-CB 4.45Å; A147-T161 PolarHBondContact N-O 3.45Å; A147-T161 PolarHBondContact O-N 3.38Å
148L91.6Very high86.4Confident1 Ų163.3 Ų63.31%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-110121.1-174.4-71.868.4000108.1F59 L64 L111 V126 L127 L146 I158 L160 M206F59-L148 HydrophobicContact CE1-CD1 3.77Å; F59-L148 HydrophobicContact CE1-CD2 3.73Å; F59-L148 HydrophobicContact CE1-CG 4.07Å; F59-L148 HydrophobicContact CZ-CD1 3.58Å; F59-L148 HydrophobicContact CZ-CD2 3.93Å; F59-L148 HydrophobicContact CZ-CG 4.28Å; L64-L148 HydrophobicContact CD1-CD2 3.86Å; L111-L148 HydrophobicContact CD2-CD2 4.45Å; V126-L148 VanDerWaalsContact CA-O 3.29Å; V126-L148 WeakPolarHBondContact CA-O 3.34Å; L127-L148 HydrophobicContact CB-CB 4.36Å; L127-L148 PolarHBondContact N-O 3.01Å; L127-L148 PolarHBondContact O-N 2.83Å; L146-L148 HydrophobicContact CB-CD1 4.29Å; L148-I158 HydrophobicContact CB-CD1 4.06Å; L148-I158 HydrophobicContact CD2-CD1 3.79Å; L148-I158 HydrophobicContact CG-CD1 3.77Å; L148-L160 HydrophobicContact CD1-CD1 3.78Å; L148-L160 HydrophobicContact CG-CD1 3.98Å; L148-M206 HydrophobicContact CD2-SD 3.64Å
149R88.6Confident86.5Confident62 Ų6263.7 Ų63.723%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-110.1121.4170.1-177.9-170.9-82.3-163.31.7108.7V126 I158 C159 S181V126-R149 HydrophobicContact CG2-CB 3.92Å; V126-R149 HydrophobicContact CG2-CG 4.14Å; R149-I158 WeakPolarHBondContact O-CB 3.49Å; R149-C159 HydrophobicContact CB-CB 4.23Å; R149-C159 PolarHBondContact N-O 3.07Å; R149-C159 PolarHBondContact O-N 3.45Å; R149-S181 PolarHBondContact NH1-O 3.1Å; R149-S181 PolarHBondContact NH2-O 3.24Å
150I84.9Confident86.9Confident23 Ų2362.6 Ų62.612%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-78.3132175.2-58.5167.5000108.5V113 L122 I158V113-I150 HydrophobicContact CB-CD1 3.93Å; V113-I150 HydrophobicContact CB-CG1 4.17Å; V113-I150 HydrophobicContact CG1-CD1 3.92Å; V113-I150 HydrophobicContact CG2-CD1 4.37Å; V113-I150 HydrophobicContact CG2-CG1 4.14Å; L122-I150 HydrophobicContact CB-CD1 3.82Å; L122-I150 HydrophobicContact CB-CG2 4.42Å; L122-I150 HydrophobicContact CD1-CD1 4.26Å; L122-I150 HydrophobicContact CD2-CD1 3.69Å; L122-I150 HydrophobicContact CG-CD1 4.13Å; I150-I158 HydrophobicContact CG1-CG2 4.27Å
151L78.6Confident87.1Confident51 Ų5158.2 Ų58.227%0.26730%0.304SS..  trans-86.3131.6177-76.583.4000109.2E153 D154 I158 C159L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.28Å; L151-D154 HydrophobicContact CB-CB 4.33Å; L151-D154 VanDerWaalsContact O-O 3.07Å; L151-I158 VanDerWaalsContact CD1-CA 3.49Å; L151-C159 HydrophobicContact CD1-CB 3.99Å
152P69.4Low87.3Confident89 Ų8949 Ų4958%0.57827%0.265SS*.SBendtrans-71.5-20.9-176.926.2-33.1000113.9K123K123-P152 HydrophobicContact CD-CB 4.21Å; K123-P152 HydrophobicContact CG-CB 4.24Å
153E72.6Confident87.4Confident198 Ų19853 Ų5393%0.92528%0.277SS*.SBendtrans-97.1-14-178.2-65.3-174.4160.400113.3L151L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.28Å
154D74.2Confident87.4Confident48 Ų4847.6 Ų47.626%0.25725%0.249SC..  trans-135.9108.2-175.1-168-23.5000109.8L151 E156 H157L151-D154 HydrophobicContact CB-CB 4.33Å; L151-D154 VanDerWaalsContact O-O 3.07Å; D154-E156 WeakPolarHBondContact OD1-CA 3.23Å; D154-E156 PolarHBondContact OD1-N 3.19Å; D154-H157 VanDerWaalsContact CG-ND1 3.26Å; D154-H157 VanDerWaalsContact O-O 3.08Å; D154-H157 IonicContact OD1-CG 3.12Å; D154-H157 PolarHBondContact OD1-N 3.46Å; D154-H157 IonicContact OD1-ND1 3.92Å; D154-H157 PolarHBondContact OD1-ND1 2.89Å; D154-H157 VanDerWaalsContact OD1-ND1 3.12Å; D154-H157 WeakPolarHBondContact OD2-CB 3.18Å; D154-H157 IonicContact OD2-CE1 3.42Å; D154-H157 IonicContact OD2-CG 2.75Å; D154-H157 IonicContact OD2-ND1 3.75Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å
155S77.3Confident87.3Confident98 Ų9848.3 Ų48.369%0.68525%0.254SS*.SBendtrans-84.7-10.8178.156.10000113.6A112A112-S155 VanDerWaalsContact CB-O 3.27Å; A112-S155 WeakPolarHBondContact CB-O 3.17Å
156E86.2Confident87Confident120 Ų12047.5 Ų47.556%0.56125%0.246SC*.SBendtrans-96-18.2-179.3-62.4-165.2168.900112.5P110 L111 D154P110-E156 CarbonylContact C-O 3.47Å; L111-E156 CarbonylContact C-O 3.38Å; L111-E156 PolarHBondContact N-O 2.81Å; L111-E156 VanDerWaalsContact N-O 3.16Å; D154-E156 WeakPolarHBondContact OD1-CA 3.23Å; D154-E156 PolarHBondContact OD1-N 3.19Å
157H89.8Confident86.7Confident48 Ų4853 Ų5322%0.22227%0.272CS..  trans-122.2150.4177.9-54.682.2000112.4H108 V109 D154H108-H157 VanDerWaalsContact CE1-CB 3.41Å; H108-H157 WeakPolarHBondContact CE1-CB 3.41Å; H108-H157 AromaticContact CE1-CD2 3.6Å; H108-H157 AromaticContact CE1-CG 3.47Å; H108-H157 VanDerWaalsContact CE1-CG 3.47Å; H108-H157 AromaticContact ND1-CD2 4Å; H108-H157 WeakPolarHBondContact NE2-CB 3.05Å; H108-H157 AromaticContact NE2-CG 4Å; V109-H157 VanDerWaalsContact O-CA 3.26Å; V109-H157 WeakPolarHBondContact O-CA 3.33Å; D154-H157 VanDerWaalsContact CG-ND1 3.26Å; D154-H157 VanDerWaalsContact O-O 3.08Å; D154-H157 IonicContact OD1-CG 3.12Å; D154-H157 PolarHBondContact OD1-N 3.46Å; D154-H157 IonicContact OD1-ND1 3.92Å; D154-H157 PolarHBondContact OD1-ND1 2.89Å; D154-H157 VanDerWaalsContact OD1-ND1 3.12Å; D154-H157 WeakPolarHBondContact OD2-CB 3.18Å; D154-H157 IonicContact OD2-CE1 3.42Å; D154-H157 IonicContact OD2-CG 2.75Å; D154-H157 IonicContact OD2-ND1 3.75Å; D154-H157 PolarHBondContact OD2-ND1 3.44Å
158I90.4Very high86.6Confident2 Ų252.4 Ų52.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-127.5167.116965.1173.3000110.8V109 L111 V113 L148 R149 I150 L151V109-I158 HydrophobicContact CG2-CD1 4.37Å; V109-I158 HydrophobicContact CG2-CG1 3.68Å; V109-I158 PolarHBondContact N-O 3.32Å; V109-I158 PolarHBondContact O-N 3.16Å; L111-I158 HydrophobicContact CB-CD1 4.01Å; L111-I158 HydrophobicContact CB-CG1 3.97Å; L111-I158 HydrophobicContact CD2-CD1 3.61Å; L111-I158 HydrophobicContact CD2-CG1 4.47Å; L111-I158 HydrophobicContact CG-CD1 4.29Å; L111-I158 WeakPolarHBondContact O-CG2 3.02Å; V113-I158 HydrophobicContact CG2-CD1 4.47Å; V113-I158 HydrophobicContact CG2-CG2 3.88Å; L148-I158 HydrophobicContact CB-CD1 4.06Å; L148-I158 HydrophobicContact CD2-CD1 3.79Å; L148-I158 HydrophobicContact CG-CD1 3.77Å; R149-I158 WeakPolarHBondContact O-CB 3.49Å; I150-I158 HydrophobicContact CG1-CG2 4.27Å; L151-I158 VanDerWaalsContact CD1-CA 3.49Å
159C90.9Very high86.5Confident9 Ų952.9 Ų52.96%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-94.6111.3162.8-168.70000110.6R149 L151 C178R149-C159 HydrophobicContact CB-CB 4.23Å; R149-C159 PolarHBondContact N-O 3.07Å; R149-C159 PolarHBondContact O-N 3.45Å; L151-C159 HydrophobicContact CD1-CB 3.99Å; C159-C178 WeakPolarHBondContact CA-SG 3.47Å; C159-C178 HydrophobicContact CB-CB 3.85Å; C159-C178 WeakPolarHBondContact CB-SG 3.26Å; C159-C178 WeakPolarHBondContact SG-CB 3.39Å; C159-C178 CovalentContact SG-SG 2.04Å; C159-C178 PolarHBondContact SG-SG 2.89Å
160L93.1Very high86.4Confident0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-96.3119.8174.9179.566.5000109.7L56 F59 L107 V109 L146 L148L56-L160 HydrophobicContact CD2-CD2 3.69Å; F59-L160 HydrophobicContact CE1-CD1 4.31Å; L107-L160 PolarHBondContact N-O 2.91Å; L107-L160 PolarHBondContact O-N 2.9Å; V109-L160 HydrophobicContact CG1-CB 4.45Å; V109-L160 HydrophobicContact CG2-CB 3.69Å; V109-L160 HydrophobicContact CG2-CD2 4.4Å; L146-L160 HydrophobicContact CB-CD1 4.45Å; L146-L160 HydrophobicContact CD2-CD1 4.28Å; L148-L160 HydrophobicContact CD1-CD1 3.78Å; L148-L160 HydrophobicContact CG-CD1 3.98Å
161T92.7Very high86.2Confident31 Ų3155.9 Ų55.919%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-95.3123.6166.7-560000109D104 L105 H106 L146 A147D104-T161 VanDerWaalsContact OD1-CG2 3.25Å; D104-T161 WeakPolarHBondContact OD1-CG2 3.2Å; L105-T161 CarbonylContact O-C 3.49Å; L105-T161 VanDerWaalsContact O-CA 3.25Å; L105-T161 WeakPolarHBondContact O-CA 2.95Å; H106-T161 VanDerWaalsContact CE1-CG2 3.46Å; H106-T161 WeakPolarHBondContact CE1-CG2 2.8Å; H106-T161 WeakPolarHBondContact ND1-CG2 3.18Å; H106-T161 PolarHBondContact ND1-OG1 3.43Å; L146-T161 CarbonylContact C-O 3.53Å; L146-T161 WeakPolarHBondContact CA-O 3.32Å; A147-T161 PolarHBondContact N-O 3.45Å; A147-T161 PolarHBondContact O-N 3.38Å
162I93.6Very high86.2Confident0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-121.7126177.3-177.2167.3000110.2W52 L55 L105 L107 V144 L146 L169W52-I162 HydrophobicContact CH2-CG2 4.08Å; W52-I162 HydrophobicContact CZ3-CG2 4.28Å; L55-I162 HydrophobicContact CD1-CD1 3.92Å; L105-I162 HydrophobicContact CB-CG2 3.8Å; L105-I162 HydrophobicContact CD1-CG2 4.37Å; L105-I162 PolarHBondContact N-O 2.63Å; L105-I162 PolarHBondContact O-N 2.74Å; L107-I162 HydrophobicContact CD1-CG2 3.84Å; V144-I162 HydrophobicContact CG1-CD1 3.79Å; V144-I162 HydrophobicContact CG1-CG1 3.71Å; L146-I162 HydrophobicContact CD2-CB 3.85Å; L146-I162 HydrophobicContact CD2-CD1 3.87Å; L146-I162 HydrophobicContact CD2-CG1 3.65Å; I162-L169 HydrophobicContact CD1-CD2 3.56Å; I162-L169 HydrophobicContact CG1-CD2 3.97Å; I162-L169 HydrophobicContact CG2-CD2 4.42Å
163R93.6Very high86.9Confident137 Ų13754.8 Ų54.852%0.51728%0.282SS..EExtended strand (participates in β ladder)trans-119.9114.6176.2-172.1174.2177.5178.9-0.4110.2V102 K103 S145V102-R163 HydrophobicContact CG1-CG 3.66Å; K103-R163 WeakPolarHBondContact O-CA 3.07Å; S145-R163 PolarHBondContact N-O 3.32Å; S145-R163 PolarHBondContact O-N 3.44Å
164A92.9Very high87.5Confident1 Ų148.8 Ų48.81%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-156.8162.4-174.400000112.4K103 V144 I168 L169K103-A164 PolarHBondContact N-O 2.9Å; K103-A164 PolarHBondContact O-N 3.02Å; K103-A164 VanDerWaalsContact O-N 3.09Å; V144-A164 HydrophobicContact CB-CB 4.5Å; V144-A164 HydrophobicContact CG1-CB 4.19Å; V144-A164 HydrophobicContact CG2-CB 4.01Å; A164-I168 HydrophobicContact CB-CD1 4.17Å; A164-I168 HydrophobicContact CB-CG1 4.39Å; A164-L169 HydrophobicContact CB-CD1 4.26Å; A164-L169 HydrophobicContact CB-CD2 3.88Å; A164-L169 HydrophobicContact CB-CG 3.98Å
165P91.8Very high88.3Confident14 Ų1446.8 Ų46.89%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-54.9137.8168.5-26.736.9000112.4E142 H167 I168E142-P165 HydrophobicContact CB-CG 4.41Å; P165-H167 PolarHBondContact O-N 2.92Å; P165-H167 VanDerWaalsContact O-N 3.08Å; P165-I168 HydrophobicContact CB-CG1 4.27Å; P165-I168 VanDerWaalsContact O-CG1 3.26Å; P165-I168 WeakPolarHBondContact O-CG1 3.23Å; P165-I168 PolarHBondContact O-N 2.94Å
166T87.9Confident88.9Confident37 Ų3746.1 Ų46.123%0.22724%0.242CC..THydrogen-bonded Turntrans-59.3-25.6-174.443.40000115.7S101 K103S101-T166 VanDerWaalsContact O-CG2 3.25Å; S101-T166 WeakPolarHBondContact O-CG2 3.37Å; S101-T166 PolarHBondContact O-N 3.22Å; S101-T166 PolarHBondContact O-OG1 3.01Å; S101-T166 WeakPolarHBondContact OG-CG2 3.04Å; S101-T166 PolarHBondContact OG-OG1 2.88Å; K103-T166 HydrophobicContact CB-CG2 3.87Å; K103-T166 HydrophobicContact CD-CG2 3.52Å; K103-T166 VanDerWaalsContact CE-CG2 3.48Å; K103-T166 HydrophobicContact CG-CG2 3.37Å
167H88.1Confident89Confident121 Ų12145.3 Ų45.356%0.5625%0.25SC*.THydrogen-bonded Turntrans-86.5-11.1-171.867.5-80.5000113.7E142 P165E142-H167 IonicContact OE1-CE1 3.37Å; E142-H167 PolarHBondContact OE1-CE1 3.48Å; E142-H167 IonicContact OE1-NE2 3.87Å; E142-H167 PolarHBondContact OE1-NE2 3.17Å; E142-H167 IonicContact OE2-CE1 2.96Å; E142-H167 PolarHBondContact OE2-CE1 2.63Å; E142-H167 IonicContact OE2-NE2 3.26Å; E142-H167 PolarHBondContact OE2-NE2 2.71Å; P165-H167 PolarHBondContact O-N 2.92Å; P165-H167 VanDerWaalsContact O-N 3.08Å
168I89.8Confident88.8Confident11 Ų1144.1 Ų44.16%0.05625%0.246CC..THydrogen-bonded Turntrans-106-6.3174.760.9156.4000113.2A133 E142 V144 A164 P165A133-I168 HydrophobicContact CB-CD1 3.7Å; E142-I168 HydrophobicContact CB-CD1 4.1Å; E142-I168 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I168 WeakPolarHBondContact OE2-CG1 3.26Å; E142-I168 WeakPolarHBondContact OE2-CG2 3.26Å; V144-I168 HydrophobicContact CG2-CD1 3.88Å; A164-I168 HydrophobicContact CB-CD1 4.17Å; A164-I168 HydrophobicContact CB-CG1 4.39Å; P165-I168 HydrophobicContact CB-CG1 4.27Å; P165-I168 VanDerWaalsContact O-CG1 3.26Å; P165-I168 WeakPolarHBondContact O-CG1 3.23Å; P165-I168 PolarHBondContact O-N 2.94Å
169L89.3Confident88.2Confident10 Ų1054.3 Ų54.35%0.05229%0.286CS..SBendtrans-79.2137.9177.9-75.2171.7000109.9W52 K103 L105 I162 A164 I171W52-L169 HydrophobicContact CH2-CD2 4.35Å; K103-L169 HydrophobicContact CB-CD1 3.84Å; L105-L169 HydrophobicContact CD1-CD1 4Å; I162-L169 HydrophobicContact CD1-CD2 3.56Å; I162-L169 HydrophobicContact CG1-CD2 3.97Å; I162-L169 HydrophobicContact CG2-CD2 4.42Å; A164-L169 HydrophobicContact CB-CD1 4.26Å; A164-L169 HydrophobicContact CB-CD2 3.88Å; A164-L169 HydrophobicContact CB-CG 3.98Å; L169-I171 PolarHBondContact O-N 3.42Å
170P88.4Confident86.9Confident8 Ų857 Ų575%0.05230%0.302CS..  trans-59.5129.2175.3-2031.6000110.3W52 L55 L138W52-P170 HydrophobicContact CD2-CB 4.15Å; W52-P170 HydrophobicContact CD2-CG 4.12Å; W52-P170 HydrophobicContact CE3-CG 4.46Å; W52-P170 HydrophobicContact CG-CB 4.13Å; W52-P170 HydrophobicContact CG-CG 4.41Å; W52-P170 HydrophobicContact CZ2-CB 4.41Å; W52-P170 HydrophobicContact CZ2-CG 4.46Å; W52-P170 PolarHBondContact NE1-O 2.94Å; L55-P170 HydrophobicContact CD1-CG 4.09Å; L138-P170 HydrophobicContact CD2-CG 3.63Å
171I79.5Confident85.5Confident141 Ų14160.2 Ų60.272%0.72333%0.325SS*.  trans-79.5-40.3-167.9-59.2172000110.8L169 V174L169-I171 PolarHBondContact O-N 3.42Å; I171-V174 WeakPolarHBondContact O-CG2 3.5Å
172T78.6Confident83.8Confident80 Ų8067.6 Ų67.649%0.49136%0.357SS..SBendtrans-163.4155.5-176.244.90000112.8V216T172-V216 WeakPolarHBondContact O-CG2 3.25Å
173P83.6Confident82.2Confident37 Ų3770.3 Ų70.324%0.2438%0.376CS..SBendcis-77.6131.4-10.524.6-24.3000111S213 L214P173-S213 WeakPolarHBondContact CB-O 3.18Å; P173-S213 WeakPolarHBondContact CG-O 3.44Å; P173-L214 WeakPolarHBondContact CD-O 3.03Å; P173-L214 VanDerWaalsContact CG-C 3.45Å
174V86.8Confident80.6Confident72 Ų7272.2 Ų72.244%0.43640%0.397SS..PPolyproline II helixtrans-78.1133.9-175.7-174.70000109.5W52 L107 I171W52-V174 HydrophobicContact CZ2-CG1 4.43Å; L107-V174 HydrophobicContact CD2-CG1 3.76Å; I171-V174 WeakPolarHBondContact O-CG2 3.5Å
175P89.7Confident79.8Confident5 Ų573.5 Ų73.53%0.03240%0.403CS..PPolyproline II helixtrans-57.7153.9174.9-2027.5000112.1W52 L107 H108 V109 L214W52-P175 HydrophobicContact CB-CG 4.35Å; W52-P175 HydrophobicContact CD2-CG 3.94Å; W52-P175 HydrophobicContact CE3-CG 4.23Å; W52-P175 HydrophobicContact CG-CG 3.99Å; L107-P175 HydrophobicContact CB-CB 4.14Å; L107-P175 HydrophobicContact CB-CG 4.37Å; L107-P175 HydrophobicContact CD1-CG 4.3Å; L107-P175 HydrophobicContact CD2-CB 4.26Å; L107-P175 HydrophobicContact CD2-CG 4.41Å; H108-P175 WeakPolarHBondContact O-CB 3.45Å; V109-P175 HydrophobicContact CG1-CB 4.04Å; V109-P175 HydrophobicContact CG1-CG 4.02Å; P175-L214 HydrophobicContact CB-CD2 3.95Å; P175-L214 HydrophobicContact CG-CD1 4.28Å; P175-L214 HydrophobicContact CG-CD2 3.76Å
176P89.9Confident79.2Confident85 Ų8576.2 Ų76.255%0.55242%0.422SS*.PPolyproline II helixtrans-55145.6175.8-23.233000111.9H108H108-P176 HydrophobicContact CB-CB 4.37Å; H108-P176 WeakPolarHBondContact CB-O 3.4Å; H108-P176 PolarHBondContact N-O 3.34Å
177S88.2Confident79.1Confident103 Ų10383.6 Ų83.672%0.7245%0.446SS*.BIsolated β-bridgetrans-74.9139.5178.261.10000111.8H106H106-S177 CarbonylContact O-C 3.51Å; H106-S177 WeakPolarHBondContact O-CA 3.35Å
178C87Confident79Confident23 Ų2378.9 Ų78.916%0.15543%0.426CS..PPolyproline II helixtrans-80.7150.9167.3-37.50000111.9H106 L107 H108 C159H106-C178 PolarHBondContact O-N 2.79Å; L107-C178 PolarHBondContact O-SG 3.49Å; H108-C178 PolarHBondContact N-SG 2.68Å; H108-C178 VanDerWaalsContact N-SG 3.38Å; C159-C178 WeakPolarHBondContact CA-SG 3.47Å; C159-C178 HydrophobicContact CB-CB 3.85Å; C159-C178 WeakPolarHBondContact CB-SG 3.26Å; C159-C178 WeakPolarHBondContact SG-CB 3.39Å; C159-C178 CovalentContact SG-SG 2.04Å; C159-C178 PolarHBondContact SG-SG 2.89Å
179Y76.1Confident79Confident215 Ų21581.1 Ų81.184%0.84344%0.441SS*.PPolyproline II helixtrans-84.2121.6162.9-169.7-99.7000110.6S181Y179-S181 PolarHBondContact O-N 3.35Å
180V65.4Low79Confident66 Ų6681.1 Ų81.140%0.444%0.442SS..  trans-89.5101.2178.1-175.60000109H106H106-V180 HydrophobicContact CB-CG2 4.26Å
181S63.3Low79.2Confident67 Ų6786.6 Ų86.647%0.46947%0.466SS..  trans-80.4129.1166.2-173.20000109.9R149 Y179 S183R149-S181 PolarHBondContact NH1-O 3.1Å; R149-S181 PolarHBondContact NH2-O 3.24Å; Y179-S181 PolarHBondContact O-N 3.35Å; S181-S183 VanDerWaalsContact C-N 3.29Å; S181-S183 PolarHBondContact O-N 3Å
182E56.4Low79.7Confident187 Ų18781.4 Ų81.487%0.87444%0.441SS*.  trans-76.475.2172.8-69.8-170.4160.100110.2
183S59.1Low80Confident57 Ų5779.7 Ų79.740%0.39943%0.431SS..  trans-90.3154.7161.546.70000110.2S181 I185S181-S183 VanDerWaalsContact C-N 3.29Å; S181-S183 PolarHBondContact O-N 3Å; S183-I185 PolarHBondContact O-N 3.04Å; S183-I185 WeakPolarHBondContact OG-CD1 3.49Å; S183-I185 WeakPolarHBondContact OG-CG1 3.41Å
184N60.8Low80.1Confident177 Ų17783.5 Ų83.595%0.94745%0.449SS*.  trans-64.680.5173.9-73.1-42.2000110
185I75.8Confident79.6Confident27 Ų2787.4 Ų87.414%0.13846%0.463CS..PPolyproline II helixtrans-99.4132.7-174.5-73.2157.5000110.3D124 V126 S183 R187D124-I185 HydrophobicContact CB-CG1 4.43Å; D124-I185 WeakPolarHBondContact O-CG2 3.43Å; V126-I185 HydrophobicContact CB-CG2 3.9Å; V126-I185 HydrophobicContact CG2-CG2 3.38Å; S183-I185 PolarHBondContact O-N 3.04Å; S183-I185 WeakPolarHBondContact OG-CD1 3.49Å; S183-I185 WeakPolarHBondContact OG-CG1 3.41Å; I185-R187 PolarHBondContact O-N 3.07Å
186S80.4Confident78.7Confident72 Ų7292.2 Ų92.250%0.50349%0.487SS..EExtended strand (participates in β ladder)trans-70.7126.5175.8-171.90000110D124 V126D124-S186 PolarHBondContact O-N 3.2Å; D124-S186 VanDerWaalsContact O-N 3.13Å; V126-S186 PolarHBondContact N-O 3.35Å
187R84.7Confident77.7Confident191 Ų19190.1 Ų90.172%0.72147%0.474SS*.EExtended strand (participates in β ladder)trans-98.5118.4174.7-72.5-174.7172.495.7-3.4109.3V126 F128 I185V126-R187 HydrophobicContact CB-CG 4.26Å; V126-R187 HydrophobicContact CG1-CG 4.34Å; V126-R187 CarbonylContact O-C 3.57Å; V126-R187 WeakPolarHBondContact O-CA 3.49Å; F128-R187 HydrophobicContact CD1-CB 4.07Å; F128-R187 HydrophobicContact CE1-CB 4.14Å; I185-R187 PolarHBondContact O-N 3.07Å
188V86.8Confident76.4Confident23 Ų2390.8 Ų90.814%0.13949%0.485CS..EExtended strand (participates in β ladder)trans-111.2117.9-176-178.50000109.6E66 I125 V126 L127 F128 V190E66-V188 HydrophobicContact CB-CG1 4.35Å; E66-V188 HydrophobicContact CG-CG1 3.75Å; I125-V188 HydrophobicContact CG2-CB 4.28Å; I125-V188 HydrophobicContact CG2-CG2 3.79Å; V126-V188 PolarHBondContact O-N 2.99Å; L127-V188 HydrophobicContact CD2-CB 4.2Å; F128-V188 VanDerWaalsContact CD1-C 3.4Å; F128-V188 VanDerWaalsContact CD1-O 3.25Å; F128-V188 WeakPolarHBondContact CD1-O 3.36Å; F128-V188 PolarHBondContact N-O 3.01Å; V188-V190 HydrophobicContact CG1-CG1 4.37Å; V188-V190 PolarHBondContact O-N 3.43Å
189P89.3Confident75.3Confident58 Ų5892.7 Ų92.738%0.37750%0.499SS..EExtended strand (participates in β ladder)trans-68.5127.4173.921.1-24.9000109.5K67 F128K67-P189 PolarHBondContact N-O 3.29Å; F128-P189 HydrophobicContact CE1-CB 3.74Å; F128-P189 VanDerWaalsContact CE1-CD 3.49Å; F128-P189 HydrophobicContact CE1-CG 4.11Å; F128-P189 HydrophobicContact CE2-CB 3.76Å; F128-P189 VanDerWaalsContact CZ-CA 3.45Å; F128-P189 HydrophobicContact CZ-CB 3.31Å; F128-P189 HydrophobicContact CZ-CG 3.91Å
190V90.1Very high74.9Confident10 Ų1088.3 Ų88.36%0.06150%0.5CS..EExtended strand (participates in β ladder)trans-120.8137.8176.4-62.50000111.7L64 C65 L127 F128 T129 V188 Y204L64-V190 HydrophobicContact CB-CB 3.95Å; L64-V190 HydrophobicContact CB-CG1 4.38Å; L64-V190 HydrophobicContact CB-CG2 3.77Å; L64-V190 HydrophobicContact CD1-CG2 4.17Å; L64-V190 HydrophobicContact CD2-CG2 4.12Å; L64-V190 HydrophobicContact CG-CG2 4.23Å; C65-V190 CarbonylContact O-C 3.54Å; C65-V190 VanDerWaalsContact O-CA 3.25Å; C65-V190 WeakPolarHBondContact O-CA 3.27Å; L127-V190 HydrophobicContact CB-CG1 4.26Å; L127-V190 HydrophobicContact CB-CG2 4.18Å; L127-V190 HydrophobicContact CD2-CG1 3.89Å; F128-V190 WeakPolarHBondContact O-CG2 3.35Å; F128-V190 PolarHBondContact O-N 3.26Å; T129-V190 WeakPolarHBondContact CB-O 3.43Å; T129-V190 PolarHBondContact OG1-O 2.91Å; V188-V190 HydrophobicContact CG1-CG1 4.37Å; V188-V190 PolarHBondContact O-N 3.43Å; V190-Y204 HydrophobicContact CG1-CD2 4.43Å; V190-Y204 HydrophobicContact CG1-CE2 4.36Å
191E91.1Very high75.6Confident122 Ų12287.2 Ų87.257%0.5749%0.491SS*.EExtended strand (participates in β ladder)trans-88.8142.3170.8-173.2166.8-172.700109.9L64 C65L64-E191 WeakPolarHBondContact CA-O 3.19Å; C65-E191 PolarHBondContact N-O 3.14Å; C65-E191 PolarHBondContact O-N 3.43Å
192V90.1Very high76.6Confident32 Ų3285.6 Ų85.619%0.19448%0.478CS..EExtended strand (participates in β ladder)trans-94122.7-178.9172.60000109.3F62 L64 T129 L131F62-V192 HydrophobicContact CB-CG1 3.66Å; F62-V192 HydrophobicContact CD1-CG1 3.37Å; F62-V192 HydrophobicContact CD2-CG1 4.27Å; F62-V192 HydrophobicContact CE1-CG1 4.08Å; F62-V192 HydrophobicContact CG-CG1 3.49Å; F62-V192 VanDerWaalsContact CG-CG1 3.49Å; L64-V192 HydrophobicContact CD2-CG2 3.61Å; T129-V192 HydrophobicContact CG2-CG2 3.92Å; T129-V192 WeakPolarHBondContact OG1-CG2 3.49Å; L131-V192 HydrophobicContact CD1-CG2 4.27Å; L131-V192 HydrophobicContact CD2-CB 3.9Å; L131-V192 HydrophobicContact CD2-CG1 3.8Å; L131-V192 HydrophobicContact CD2-CG2 3.74Å; L131-V192 HydrophobicContact CG-CG2 4.06Å
193T86.5Confident78.2Confident44 Ų4476.8 Ų76.827%0.2744%0.437SS..EExtended strand (participates in β ladder)trans-126.2151.4175.6178.50000111.4H63 Q195H63-T193 HydrophobicContact CB-CG2 3.78Å; H63-T193 PolarHBondContact N-O 2.93Å; H63-T193 PolarHBondContact O-N 3.04Å; T193-Q195 WeakPolarHBondContact CG2-O 3.26Å; T193-Q195 PolarHBondContact OG1-N 2.68Å; T193-Q195 PolarHBondContact OG1-O 2.97Å
194N83.9Confident79.6Confident118 Ų11874.3 Ų74.363%0.63142%0.419SS*.SBendtrans-87.6-11.7175.7-64.5-55.1000112.9F62F62-N194 WeakPolarHBondContact CD1-OD1 3.47Å; F62-N194 WeakPolarHBondContact CE1-OD1 3.18Å
195Q77.4Confident81Confident154 Ų15467.7 Ų67.772%0.7239%0.386SS*.SBendtrans-135142.3-178.2-74.4177.4-8.500109.8T193 P197T193-Q195 WeakPolarHBondContact CG2-O 3.26Å; T193-Q195 PolarHBondContact OG1-N 2.68Å; T193-Q195 PolarHBondContact OG1-O 2.97Å; Q195-P197 WeakPolarHBondContact O-CD 3.42Å
196L71.1Confident81.8Confident105 Ų10567.1 Ų67.155%0.5538%0.383SS..  trans-64.3119.8175.3-163.970.2000108.9C203L196-C203 HydrophobicContact CD1-CB 3.87Å
197P68.7Low82.4Confident42 Ų4269.5 Ų69.527%0.27339%0.386SS..  trans-67.6147.7-177.826.1-31.6000110.8C65 Q195 S199 C203C65-P197 VanDerWaalsContact SG-CD 3.59Å; C65-P197 VanDerWaalsContact SG-CG 3.58Å; Q195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-S199 PolarHBondContact O-N 3.3Å; P197-C203 WeakPolarHBondContact CD-SG 3.43Å; P197-C203 WeakPolarHBondContact CG-SG 3.38Å
198A60.5Low82.8Confident116 Ų11661.2 Ų61.296%0.95936%0.355SS*.SBendtrans-79.3-2.2177.500000113.5
199S64.1Low82.9Confident63 Ų6368.8 Ų68.844%0.44138%0.381SS..SBendtrans-82164.2-179.960.10000111.7P197 Q201P197-S199 PolarHBondContact O-N 3.3Å; S199-Q201 PolarHBondContact O-N 2.63Å; S199-Q201 WeakPolarHBondContact OG-CB 3.34Å
200S67.4Low82.8Confident124 Ų12472.8 Ų72.887%0.86739%0.393SS*.SBendtrans-70.820.6175.2550000114.4
201Q80.4Confident82.7Confident43 Ų4374.6 Ų74.620%0.20140%0.402CS..  trans-79.5137.2-176.3-171.4178.7-5.200110.3C65 E66 S199 C203C65-Q201 HydrophobicContact CB-CG 4.27Å; E66-Q201 VanDerWaalsContact O-CD 3.29Å; E66-Q201 VanDerWaalsContact O-CG 3.29Å; E66-Q201 WeakPolarHBondContact O-CG 3.29Å; E66-Q201 PolarHBondContact O-NE2 3.43Å; S199-Q201 PolarHBondContact O-N 2.63Å; S199-Q201 WeakPolarHBondContact OG-CB 3.34Å; Q201-C203 PolarHBondContact O-N 2.83Å
202T85Confident82.3Confident32 Ų3273.2 Ų73.220%0.19640%0.404CS..  trans-69.2125.1173.5-53.90000109.1C65 E66 Y204C65-T202 WeakPolarHBondContact CA-O 3.48Å; E66-T202 HydrophobicContact CG-CG2 4.48Å; E66-T202 PolarHBondContact N-O 3.21Å; T202-Y204 HydrophobicContact CG2-CE1 4.27Å; T202-Y204 HydrophobicContact CG2-CE2 4.31Å
203C89.1Confident82Confident2 Ų275.1 Ų75.11%0.01442%0.418CS..EExtended strand (participates in β ladder)trans-129151.1177.6-64.30000110.6L64 C65 S116 L196 P197 Q201L64-C203 CarbonylContact O-C 3.57Å; L64-C203 VanDerWaalsContact O-CA 3.28Å; L64-C203 WeakPolarHBondContact O-CA 3.49Å; C65-C203 HydrophobicContact CB-CB 4.12Å; C65-C203 WeakPolarHBondContact CB-SG 3.24Å; C65-C203 WeakPolarHBondContact SG-CB 3.36Å; C65-C203 CovalentContact SG-SG 2.04Å; C65-C203 PolarHBondContact SG-SG 3.31Å; S116-C203 PolarHBondContact N-O 3.42Å; S116-C203 PolarHBondContact OG-N 3.25Å; S116-C203 PolarHBondContact OG-O 3.3Å; L196-C203 HydrophobicContact CD1-CB 3.87Å; P197-C203 WeakPolarHBondContact CD-SG 3.43Å; P197-C203 WeakPolarHBondContact CG-SG 3.38Å; Q201-C203 PolarHBondContact O-N 2.83Å
204Y88.8Confident82Confident6 Ų673.2 Ų73.22%0.02441%0.406CS..EExtended strand (participates in β ladder)trans-117.7123.4179.9-51.4-82.6000108.6H63 L64 E66 V113 I114 L122 L127 V190 T202H63-Y204 WeakPolarHBondContact CA-O 3.39Å; L64-Y204 HydrophobicContact CB-CD2 4.45Å; L64-Y204 PolarHBondContact N-O 2.72Å; L64-Y204 VanDerWaalsContact O-CD2 3.29Å; L64-Y204 WeakPolarHBondContact O-CD2 3.31Å; L64-Y204 PolarHBondContact O-N 3.46Å; E66-Y204 HydrophobicContact CG-CE2 3.98Å; E66-Y204 PolarHBondContact OE1-OH 2.86Å; V113-Y204 HydrophobicContact CG1-CD1 4.16Å; V113-Y204 HydrophobicContact CG1-CG 4.38Å; I114-Y204 CarbonylContact O-C 3.51Å; I114-Y204 VanDerWaalsContact O-CA 3.29Å; I114-Y204 WeakPolarHBondContact O-CA 3.34Å; L122-Y204 HydrophobicContact CD2-CD1 3.91Å; L122-Y204 HydrophobicContact CD2-CE1 3.55Å; L127-Y204 HydrophobicContact CD1-CD1 4.19Å; L127-Y204 HydrophobicContact CD1-CD2 3.51Å; L127-Y204 HydrophobicContact CD1-CE2 3.96Å; L127-Y204 HydrophobicContact CD1-CG 3.63Å; L127-Y204 HydrophobicContact CD2-CD2 3.88Å; L127-Y204 HydrophobicContact CD2-CE2 3.43Å; L127-Y204 VanDerWaalsContact CD2-CE2 3.43Å; L127-Y204 HydrophobicContact CG-CD2 4.35Å; L127-Y204 HydrophobicContact CG-CE2 4.35Å; V190-Y204 HydrophobicContact CG1-CD2 4.43Å; V190-Y204 HydrophobicContact CG1-CE2 4.36Å; T202-Y204 HydrophobicContact CG2-CE1 4.27Å; T202-Y204 HydrophobicContact CG2-CE2 4.31Å
205S90.9Very high82Confident38 Ų3868.8 Ų68.827%0.26638%0.384SS..EExtended strand (participates in β ladder)trans-96.1153.5166.259.90000109.6V113 I114V113-S205 WeakPolarHBondContact CA-O 3.41Å; I114-S205 PolarHBondContact N-O 3.03Å; I114-S205 PolarHBondContact O-N 3.3Å
206M91.6Very high82.3Confident14 Ų1463.4 Ų63.47%0.06936%0.361CS..EExtended strand (participates in β ladder)trans-121.1137.6-178.9-66.4169.2-70.200109.1F59 F62 L64 L111 A112 V113 L148F59-M206 HydrophobicContact CD1-CE 4.41Å; F59-M206 HydrophobicContact CD1-SD 4.01Å; F59-M206 HydrophobicContact CD2-CE 4.43Å; F59-M206 HydrophobicContact CE1-CE 4.13Å; F59-M206 HydrophobicContact CE1-SD 3.48Å; F59-M206 WeakPolarHBondContact CE1-SD 3.29Å; F59-M206 HydrophobicContact CE2-CE 4.11Å; F59-M206 HydrophobicContact CE2-SD 4.47Å; F59-M206 HydrophobicContact CZ-CE 3.93Å; F59-M206 HydrophobicContact CZ-SD 3.71Å; F59-M206 WeakPolarHBondContact O-CE 3.28Å; F62-M206 HydrophobicContact CB-CE 4.43Å; F62-M206 WeakPolarHBondContact O-CE 3.5Å; L64-M206 HydrophobicContact CD1-CE 4.01Å; L64-M206 HydrophobicContact CD1-SD 3.94Å; L64-M206 HydrophobicContact CD2-CE 4.32Å; L64-M206 HydrophobicContact CG-CE 3.88Å; L64-M206 HydrophobicContact CG-SD 4.44Å; L111-M206 HydrophobicContact CD1-CB 4.05Å; L111-M206 HydrophobicContact CD2-CB 4.11Å; L111-M206 HydrophobicContact CD2-CG 4.03Å; L111-M206 HydrophobicContact CD2-SD 3.69Å; L111-M206 HydrophobicContact CG-CB 4.06Å; L111-M206 HydrophobicContact CG-CG 4.41Å; A112-M206 CarbonylContact O-C 3.5Å; A112-M206 VanDerWaalsContact O-CA 3.26Å; A112-M206 WeakPolarHBondContact O-CA 3.39Å; V113-M206 HydrophobicContact CG2-CG 4.34Å; L148-M206 HydrophobicContact CD2-SD 3.64Å
207H92.1Very high82.9Confident122 Ų12261.6 Ų61.657%0.56535%0.351SS*.EExtended strand (participates in β ladder)trans-116.5115.7174.6-175-85.2000109.2A112A112-H207 HydrophobicContact CB-CB 4.38Å; A112-H207 PolarHBondContact N-O 2.95Å; A112-H207 PolarHBondContact O-N 2.94Å
208F93Very high83.7Confident18 Ų1861.4 Ų61.48%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-101.1133.8-179.9178.6-117.3000111.4N53 L56 L57 P110 L111 K210N53-F208 HydrophobicContact CB-CE1 4.47Å; N53-F208 HydrophobicContact CB-CZ 4.4Å; N53-F208 WeakPolarHBondContact O-CE1 3.45Å; N53-F208 VanDerWaalsContact OD1-CZ 3.23Å; N53-F208 WeakPolarHBondContact OD1-CZ 3.44Å; L56-F208 HydrophobicContact CB-CD1 4.44Å; L56-F208 HydrophobicContact CB-CD2 3.7Å; L56-F208 HydrophobicContact CB-CE1 4.15Å; L56-F208 HydrophobicContact CB-CE2 3.38Å; L56-F208 HydrophobicContact CB-CG 4.22Å; L56-F208 HydrophobicContact CB-CZ 3.61Å; L56-F208 HydrophobicContact CD1-CD2 4.48Å; L56-F208 HydrophobicContact CD1-CE2 3.63Å; L56-F208 HydrophobicContact CD1-CZ 4.08Å; L56-F208 HydrophobicContact CG-CE2 4.13Å; L57-F208 HydrophobicContact CB-CD1 3.74Å; L57-F208 HydrophobicContact CB-CE1 3.94Å; L57-F208 HydrophobicContact CD1-CD1 4.04Å; L57-F208 HydrophobicContact CG-CD1 4.5Å; P110-F208 HydrophobicContact CG-CE2 3.94Å; P110-F208 VanDerWaalsContact O-CD2 3.23Å; P110-F208 WeakPolarHBondContact O-CD2 3.34Å; L111-F208 HydrophobicContact CD1-CB 3.62Å; L111-F208 HydrophobicContact CD1-CD2 4.04Å; L111-F208 HydrophobicContact CD1-CG 4.28Å; F208-K210 HydrophobicContact CE1-CB 4.49Å; F208-K210 HydrophobicContact CE1-CG 3.93Å
209R89.6Confident84.9Confident181 Ų18158.9 Ų58.968%0.68332%0.32SS*.  trans-111.2123.5168.9-171.7176.7-178.7179.7-0.4108.7P110 D211P110-R209 PolarHBondContact O-N 3.03Å; R209-D211 PolarHBondContact O-N 2.97Å
210K88.2Confident85.9Confident143 Ų14362.8 Ų62.862%0.62233%0.333SS*.  trans-57.4132.8175.8-71.9-175.2178.7-176.10110.3F208F208-K210 HydrophobicContact CE1-CB 4.49Å; F208-K210 HydrophobicContact CE1-CG 3.93Å
211D86.3Confident86.9Confident48 Ų4864.3 Ų64.326%0.25733%0.327SS..  trans-114.1116.5177.6-179.5-8.1000109.2N53 P110 R209 S213 L214N53-D211 PolarHBondContact ND2-O 3.47Å; N53-D211 PolarHBondContact OD1-N 3.27Å; N53-D211 VanDerWaalsContact OD1-N 3.1Å; N53-D211 PolarHBondContact OD1-O 2.95Å; P110-D211 HydrophobicContact CG-CB 4Å; R209-D211 PolarHBondContact O-N 2.97Å; D211-S213 PolarHBondContact O-N 3.37Å; D211-S213 VanDerWaalsContact O-N 3.16Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.42Å; D211-S213 PolarHBondContact OD1-N 2.92Å; D211-S213 PolarHBondContact OD1-OG 3.2Å; D211-S213 PolarHBondContact OD2-OG 3.5Å; D211-L214 HydrophobicContact CB-CB 4.48Å; D211-L214 HydrophobicContact CB-CD1 4.09Å; D211-L214 HydrophobicContact CB-CG 4Å; D211-L214 WeakPolarHBondContact O-CB 3.45Å; D211-L214 PolarHBondContact O-N 2.97Å
212P83.7Confident87.3Confident93 Ų9366.5 Ų66.560%0.60434%0.337SS*.G310 helixtrans-62.3-20.3179.627.7-35.3000113.1L214 T215P212-L214 PolarHBondContact O-N 3.35Å; P212-T215 PolarHBondContact O-N 3.03Å
213S84.3Confident87.5Confident71 Ų7165.4 Ų65.450%0.49733%0.329SS..G310 helixtrans-69.6-15.6174.780.70000113.4P173 D211P173-S213 WeakPolarHBondContact CB-O 3.18Å; P173-S213 WeakPolarHBondContact CG-O 3.44Å; D211-S213 PolarHBondContact O-N 3.37Å; D211-S213 VanDerWaalsContact O-N 3.16Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.42Å; D211-S213 PolarHBondContact OD1-N 2.92Å; D211-S213 PolarHBondContact OD1-OG 3.2Å; D211-S213 PolarHBondContact OD2-OG 3.5Å
214L85.3Confident87.6Confident4 Ų467 Ų672%0.02135%0.346CS..G310 helixtrans-98.32.7179.7-59.7-173.3000113.8W52 L56 P110 P173 P175 D211 P212W52-L214 HydrophobicContact CB-CB 4.25Å; W52-L214 HydrophobicContact CB-CD1 4.43Å; L56-L214 HydrophobicContact CD1-CD1 3.99Å; P110-L214 HydrophobicContact CG-CD1 4.44Å; P173-L214 WeakPolarHBondContact CD-O 3.03Å; P173-L214 VanDerWaalsContact CG-C 3.45Å; P175-L214 HydrophobicContact CB-CD2 3.95Å; P175-L214 HydrophobicContact CG-CD1 4.28Å; P175-L214 HydrophobicContact CG-CD2 3.76Å; D211-L214 HydrophobicContact CB-CB 4.48Å; D211-L214 HydrophobicContact CB-CD1 4.09Å; D211-L214 HydrophobicContact CB-CG 4Å; D211-L214 WeakPolarHBondContact O-CB 3.45Å; D211-L214 PolarHBondContact O-N 2.97Å; P212-L214 PolarHBondContact O-N 3.35Å
215T84.3Confident87.8Confident26 Ų2670.6 Ų70.616%0.1637%0.369CS..SBendtrans-116.8136.1175.3-67.70000109.8P44 D51 N53 P212 M217P44-T215 HydrophobicContact CB-CG2 3.76Å; D51-T215 PolarHBondContact OD2-OG1 2.77Å; N53-T215 PolarHBondContact ND2-OG1 3.22Å; P212-T215 PolarHBondContact O-N 3.03Å; T215-M217 HydrophobicContact CG2-SD 4.09Å; T215-M217 PolarHBondContact O-N 2.99Å
216V84.3Confident87.8Confident40 Ų4071.5 Ų71.524%0.24238%0.378CS..  trans-70.8114.3169.7-1770000107.8N45 I48 T172N45-V216 HydrophobicContact CB-CB 4.4Å; N45-V216 HydrophobicContact CB-CG1 4.16Å; N45-V216 WeakPolarHBondContact CB-O 3.25Å; N45-V216 PolarHBondContact N-O 3.29Å; I48-V216 HydrophobicContact CG1-CB 4.08Å; I48-V216 HydrophobicContact CG1-CG2 4.23Å; T172-V216 WeakPolarHBondContact O-CG2 3.25Å
217M84.2Confident87.8Confident68 Ų6871.8 Ų71.834%0.33538%0.381SS..BIsolated β-bridgetrans-85.6150.7173.1-56.7-58.9-111.400109.8S42 L43 P44 T215S42-M217 WeakPolarHBondContact O-CE 3.38Å; L43-M217 CarbonylContact O-C 3.58Å; L43-M217 WeakPolarHBondContact O-CA 3.34Å; P44-M217 HydrophobicContact CB-SD 4.37Å; T215-M217 HydrophobicContact CG2-SD 4.09Å; T215-M217 PolarHBondContact O-N 2.99Å
218L84.4Confident88Confident38 Ų3872.8 Ų72.820%0.19938%0.384CS..PPolyproline II helixtrans-57.4141.6167.9-78.2164.1000109.7L43 N45 E222L43-L218 HydrophobicContact CB-CD1 4Å; L43-L218 PolarHBondContact O-N 3.42Å; N45-L218 HydrophobicContact CB-CD2 4.48Å; N45-L218 HydrophobicContact CB-CG 4.44Å; L218-E222 HydrophobicContact CD2-CB 3.89Å
219T86.3Confident88.1Confident62 Ų6277 Ų7738%0.3840%0.403SS..PPolyproline II helixtrans-68.8156.7171.562.80000110.3E221 E222 Q223T219-E221 PolarHBondContact O-N 3.48Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.31Å; T219-E222 PolarHBondContact N-OE2 2.96Å; T219-E222 PolarHBondContact O-N 2.88Å; T219-E222 WeakPolarHBondContact OG1-CB 3.37Å; T219-E222 WeakPolarHBondContact OG1-CG 3.38Å; T219-E222 PolarHBondContact OG1-N 3.41Å; T219-E222 PolarHBondContact OG1-OE2 3.32Å; T219-Q223 VanDerWaalsContact O-CB 3.26Å; T219-Q223 WeakPolarHBondContact O-CB 3.48Å; T219-Q223 PolarHBondContact O-N 2.96Å
220M84.9Confident88.3Confident145 Ų14570.2 Ų70.271%0.71438%0.381SS*.Hα-helixtrans-59.1-28.8176.6-69.3-65.6-171.500112.3G224M220-G224 WeakPolarHBondContact O-CA 3.46Å; M220-G224 PolarHBondContact O-N 2.88Å
221E88.4Confident88.7Confident157 Ų15766.5 Ų66.573%0.73437%0.37SS*.Hα-helixtrans-71.9-51.2178.5-68.1145.1-165.100111.2T219 Q223 G224 V225T219-E221 PolarHBondContact O-N 3.48Å; E221-Q223 VanDerWaalsContact C-N 3.35Å; E221-Q223 PolarHBondContact O-N 2.93Å; E221-G224 PolarHBondContact O-N 3.47Å; E221-V225 WeakPolarHBondContact O-CG2 3.31Å; E221-V225 PolarHBondContact O-N 3.04Å
222E87.8Confident89.2Confident89 Ų8969.2 Ų69.242%0.41638%0.381SS..Hα-helixtrans-61.3-45.2177.2-68.616214600111.2L218 T219 G224 V225 A226L218-E222 HydrophobicContact CD2-CB 3.89Å; T219-E222 WeakPolarHBondContact CB-OE2 3.41Å; T219-E222 WeakPolarHBondContact CG2-OE2 3.31Å; T219-E222 PolarHBondContact N-OE2 2.96Å; T219-E222 PolarHBondContact O-N 2.88Å; T219-E222 WeakPolarHBondContact OG1-CB 3.37Å; T219-E222 WeakPolarHBondContact OG1-CG 3.38Å; T219-E222 PolarHBondContact OG1-N 3.41Å; T219-E222 PolarHBondContact OG1-OE2 3.32Å; E222-G224 VanDerWaalsContact C-N 3.32Å; E222-G224 PolarHBondContact O-N 3.27Å; E222-V225 PolarHBondContact O-N 3.47Å; E222-A226 PolarHBondContact O-N 2.99Å; E222-A226 VanDerWaalsContact O-N 3.15Å
223Q89.9Confident89.8Confident8 Ų868 Ų684%0.03737%0.372CS..Hα-helixtrans-62-41175.4-177.5163.342.800111.7S38 H41 T219 E221 V225 A226 V227S38-Q223 VanDerWaalsContact O-CG 3.31Å; S38-Q223 WeakPolarHBondContact O-CG 3.42Å; S38-Q223 PolarHBondContact O-NE2 3.48Å; H41-Q223 PolarHBondContact O-NE2 3.3Å; T219-Q223 VanDerWaalsContact O-CB 3.26Å; T219-Q223 WeakPolarHBondContact O-CB 3.48Å; T219-Q223 PolarHBondContact O-N 2.96Å; E221-Q223 VanDerWaalsContact C-N 3.35Å; E221-Q223 PolarHBondContact O-N 2.93Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 3.41Å; Q223-A226 PolarHBondContact O-N 3.43Å; Q223-V227 WeakPolarHBondContact O-CG2 3.35Å; Q223-V227 PolarHBondContact O-N 3.02Å
224G90.9Very high90.4Very high36 Ų3664.9 Ų64.937%0.37135%0.349SS..Hα-helixtrans-61.3-39.5176.400000112.8M220 E221 E222 K228M220-G224 WeakPolarHBondContact O-CA 3.46Å; M220-G224 PolarHBondContact O-N 2.88Å; E221-G224 PolarHBondContact O-N 3.47Å; E222-G224 VanDerWaalsContact C-N 3.32Å; E222-G224 PolarHBondContact O-N 3.27Å; G224-K228 VanDerWaalsContact O-CB 3.24Å; G224-K228 WeakPolarHBondContact O-CB 3.38Å; G224-K228 PolarHBondContact O-N 3.47Å
225V92.8Very high90.9Very high81 Ų8169 Ų6949%0.49137%0.374SS..Hα-helixtrans-63-47.6174.7173.70000110.6E221 E222 Q223 K228 H229E221-V225 WeakPolarHBondContact O-CG2 3.31Å; E221-V225 PolarHBondContact O-N 3.04Å; E222-V225 PolarHBondContact O-N 3.47Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 3.41Å; V225-K228 PolarHBondContact O-N 3.26Å; V225-H229 PolarHBondContact O-CD2 3.21Å; V225-H229 PolarHBondContact O-N 3.27Å
226A90.7Very high91.5Very high57 Ų5771.5 Ų71.547%0.47139%0.392SS..Hα-helixtrans-60.4-48.3178.200000112E222 Q223 K228 H229 L230E222-A226 PolarHBondContact O-N 2.99Å; E222-A226 VanDerWaalsContact O-N 3.15Å; Q223-A226 PolarHBondContact O-N 3.43Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.43Å; A226-H229 PolarHBondContact O-N 2.99Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.33Å
227V93.5Very high92.1Very high21 Ų2170.9 Ų70.913%0.12739%0.387CS..Hα-helixtrans-59.8-44.2177.41700000111Q223 H229 L230 V231Q223-V227 WeakPolarHBondContact O-CG2 3.35Å; Q223-V227 PolarHBondContact O-N 3.02Å; V227-H229 PolarHBondContact O-N 3.2Å; V227-L230 PolarHBondContact O-N 3Å; V227-V231 HydrophobicContact CG1-CG2 4.37Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.27Å
228K94.7Very high92.7Very high143 Ų14370.3 Ų70.362%0.62239%0.386SS*.Hα-helixtrans-57.9-48.5178.3-179.7-176.9174.5-175.30111.5G224 V225 A226 L230 V231 E232G224-K228 VanDerWaalsContact O-CB 3.24Å; G224-K228 WeakPolarHBondContact O-CB 3.38Å; G224-K228 PolarHBondContact O-N 3.47Å; V225-K228 PolarHBondContact O-N 3.26Å; A226-K228 VanDerWaalsContact C-N 3.33Å; A226-K228 PolarHBondContact O-N 3.43Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 2.93Å; K228-V231 PolarHBondContact O-N 3.17Å; K228-E232 WeakPolarHBondContact O-CB 3.47Å; K228-E232 PolarHBondContact O-N 2.91Å
229H95.1Very high93.3Very high106 Ų10669.9 Ų69.949%0.49139%0.39SS..Hα-helixtrans-62.5-40.5177.9-75.5-60.5000112.2V225 A226 V227 V231 E232 V233V225-H229 PolarHBondContact O-CD2 3.21Å; V225-H229 PolarHBondContact O-N 3.27Å; A226-H229 PolarHBondContact O-N 2.99Å; V227-H229 PolarHBondContact O-N 3.2Å; H229-V231 VanDerWaalsContact C-N 3.35Å; H229-V231 PolarHBondContact O-N 3.41Å; H229-E232 PolarHBondContact O-N 3.39Å; H229-V233 WeakPolarHBondContact O-CB 3.39Å; H229-V233 VanDerWaalsContact O-CG2 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.39Å; H229-V233 PolarHBondContact O-N 3.48Å
230L95.4Very high93.7Very high39 Ų3970 Ų7020%0.20439%0.391CS..Hα-helixtrans-64.4-41.3-179.9-142.176.9000111.6F31 L34 S35 A226 V227 K228 S234F31-L230 HydrophobicContact CB-CG 4.16Å; F31-L230 HydrophobicContact CD1-CD1 4.33Å; F31-L230 HydrophobicContact CD1-CG 4.45Å; F31-L230 HydrophobicContact CG-CG 4.38Å; F31-L230 WeakPolarHBondContact O-CD2 3.46Å; L34-L230 HydrophobicContact CB-CD2 3.7Å; L34-L230 HydrophobicContact CD2-CD2 3.85Å; L34-L230 HydrophobicContact CG-CD2 3.6Å; S35-L230 WeakPolarHBondContact OG-CB 3.33Å; S35-L230 WeakPolarHBondContact OG-CD2 3.38Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 2.93Å; L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.27Å
231V95.8Very high94.2Very high64 Ų6463.4 Ų63.439%0.38836%0.359SS..Hα-helixtrans-66.2-47.2173.6173.40000111V227 K228 H229 V233 S234 V235V227-V231 HydrophobicContact CG1-CG2 4.37Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.27Å; K228-V231 PolarHBondContact O-N 3.17Å; H229-V231 VanDerWaalsContact C-N 3.35Å; H229-V231 PolarHBondContact O-N 3.41Å; V231-V233 PolarHBondContact O-N 3.17Å; V231-S234 WeakPolarHBondContact CA-OG 3.43Å; V231-S234 PolarHBondContact O-N 3.36Å; V231-S234 VanDerWaalsContact O-N 3.14Å; V231-S234 PolarHBondContact O-OG 3.48Å; V231-V235 HydrophobicContact CG1-CG2 4.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 3.22Å
232E96.7Very high94.5Very high106 Ų10661.4 Ų61.450%0.49535%0.353SS..Hα-helixtrans-56.8-49.2179.6-175.8174.8175.800111.6K228 H229 S234 V235 C236K228-E232 WeakPolarHBondContact O-CB 3.47Å; K228-E232 PolarHBondContact O-N 2.91Å; H229-E232 PolarHBondContact O-N 3.39Å; E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 PolarHBondContact O-N 2.91Å; E232-V235 PolarHBondContact O-N 2.98Å; E232-C236 PolarHBondContact O-N 3.26Å; E232-C236 PolarHBondContact O-SG 3.34Å; E232-C236 VanDerWaalsContact O-SG 3.35Å
233V96.6Very high94.7Very high68 Ų6862.6 Ų62.641%0.41236%0.361SS..Hα-helixtrans-62.5-41.4176.6175.30000111.1F31 H229 V231 V235 C236 L237F31-V233 HydrophobicContact CD2-CB 4.46Å; F31-V233 HydrophobicContact CD2-CG1 3.87Å; F31-V233 HydrophobicContact CE2-CG1 3.66Å; H229-V233 WeakPolarHBondContact O-CB 3.39Å; H229-V233 VanDerWaalsContact O-CG2 3.29Å; H229-V233 WeakPolarHBondContact O-CG2 3.39Å; H229-V233 PolarHBondContact O-N 3.48Å; V231-V233 PolarHBondContact O-N 3.17Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.26Å; V233-C236 PolarHBondContact O-N 2.98Å; V233-L237 HydrophobicContact CG1-CD1 4.12Å; V233-L237 HydrophobicContact CG1-CG 4.36Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.29Å
234S96.6Very high94.7Very high4 Ų465.4 Ų65.43%0.02838%0.376CS..Hα-helixtrans-62.1-40.1177.778.10000112.6L230 V231 E232 L237 L238L230-S234 WeakPolarHBondContact O-CB 3.44Å; L230-S234 PolarHBondContact O-N 3.27Å; V231-S234 WeakPolarHBondContact CA-OG 3.43Å; V231-S234 PolarHBondContact O-N 3.36Å; V231-S234 VanDerWaalsContact O-N 3.14Å; V231-S234 PolarHBondContact O-OG 3.48Å; E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 PolarHBondContact O-N 2.91Å; S234-L237 PolarHBondContact O-N 2.88Å; S234-L238 WeakPolarHBondContact O-CG 3.35Å; S234-L238 PolarHBondContact O-N 3.1Å
235V96.7Very high94.5Very high90 Ų9066.3 Ų66.355%0.54538%0.376SS..Hα-helixtrans-66.1-42.9176.6171.40000110.4V231 E232 V233 L237 L238 G239V231-V235 HydrophobicContact CG1-CG2 4.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 3.22Å; E232-V235 PolarHBondContact O-N 2.98Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.26Å; V235-L237 PolarHBondContact O-N 2.88Å; V235-L238 PolarHBondContact O-N 3.25Å; V235-G239 PolarHBondContact O-N 3.45Å
236C96.9Very high94.3Very high79 Ų7967.4 Ų67.453%0.53438%0.378SS..Hα-helixtrans-59.2-45.8174.1-69.60000111.9E232 V233 L238 G239 V240E232-C236 PolarHBondContact O-N 3.26Å; E232-C236 PolarHBondContact O-SG 3.34Å; E232-C236 VanDerWaalsContact O-SG 3.35Å; V233-C236 PolarHBondContact O-N 2.98Å; C236-L238 PolarHBondContact O-N 2.95Å; C236-G239 PolarHBondContact O-N 3.48Å; C236-V240 WeakPolarHBondContact O-CG2 3.05Å; C236-V240 PolarHBondContact O-N 3.35Å
237L96.6Very high94.1Very high27 Ų2766.7 Ų66.714%0.14137%0.372CS..Hα-helixtrans-62-43.5178.2-71173.3000111.9L24 L27 A28 F31 V233 S234 V235 G239 V240 C241L24-L237 HydrophobicContact CD2-CD2 3.92Å; L27-L237 HydrophobicContact CB-CD1 4.39Å; L27-L237 HydrophobicContact CD2-CD1 3.92Å; L27-L237 HydrophobicContact CG-CD1 3.96Å; A28-L237 HydrophobicContact CB-CB 3.86Å; A28-L237 HydrophobicContact CB-CD1 4.3Å; F31-L237 HydrophobicContact CD2-CD1 3.9Å; F31-L237 HydrophobicContact CE2-CD1 3.92Å; V233-L237 HydrophobicContact CG1-CD1 4.12Å; V233-L237 HydrophobicContact CG1-CG 4.36Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.29Å; S234-L237 PolarHBondContact O-N 2.88Å; V235-L237 PolarHBondContact O-N 2.88Å; L237-G239 VanDerWaalsContact C-N 3.32Å; L237-G239 PolarHBondContact O-N 3.39Å; L237-V240 PolarHBondContact O-N 3.05Å; L237-C241 PolarHBondContact O-N 3.27Å; L237-C241 PolarHBondContact O-SG 2.98Å; L237-C241 VanDerWaalsContact O-SG 3.37Å
238L96.6Very high93.6Very high57 Ų5766.7 Ų66.730%0.29837%0.374SS..Hα-helixtrans-62.7-39.4174.5-71176.9000112L25 A28 I32 S234 V235 C236 C241 L242L25-L238 HydrophobicContact CD1-CD2 4.39Å; A28-L238 HydrophobicContact CB-CD2 3.99Å; A28-L238 HydrophobicContact CB-CG 4.08Å; I32-L238 HydrophobicContact CD1-CD1 4.11Å; S234-L238 WeakPolarHBondContact O-CG 3.35Å; S234-L238 PolarHBondContact O-N 3.1Å; V235-L238 PolarHBondContact O-N 3.25Å; C236-L238 PolarHBondContact O-N 2.95Å; L238-C241 WeakPolarHBondContact O-CB 3.35Å; L238-C241 PolarHBondContact O-N 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.08Å
239G96.4Very high92.9Very high29 Ų2963.5 Ų63.530%0.29937%0.37SS..Hα-helixtrans-59.1-45173.600000112.5V235 C236 L237 L242 I243V235-G239 PolarHBondContact O-N 3.45Å; C236-G239 PolarHBondContact O-N 3.48Å; L237-G239 VanDerWaalsContact C-N 3.32Å; L237-G239 PolarHBondContact O-N 3.39Å; G239-L242 PolarHBondContact O-N 3.49Å; G239-I243 WeakPolarHBondContact O-CG1 3.45Å; G239-I243 PolarHBondContact O-N 3.45Å
240V95.1Very high92.2Very high65 Ų6563.5 Ų63.539%0.39437%0.373SS..Hα-helixtrans-61.6-45.1174.3174.10000110.9L24 C236 L237 L242 I243 L244L24-V240 HydrophobicContact CD1-CG1 3.94Å; C236-V240 WeakPolarHBondContact O-CG2 3.05Å; C236-V240 PolarHBondContact O-N 3.35Å; L237-V240 PolarHBondContact O-N 3.05Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 2.75Å; V240-I243 PolarHBondContact O-N 3.06Å; V240-L244 HydrophobicContact CG1-CD1 4.17Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.9Å
241C94.4Very high91Very high6 Ų669.5 Ų69.54%0.04140%0.397CS..Hα-helixtrans-57.4-43.3175-72.40000112F21 L237 L238 L244 C245F21-C241 HydrophobicContact CD2-CB 4.23Å; F21-C241 HydrophobicContact CE2-CB 3.66Å; F21-C241 HydrophobicContact CZ-CB 4.46Å; L237-C241 PolarHBondContact O-N 3.27Å; L237-C241 PolarHBondContact O-SG 2.98Å; L237-C241 VanDerWaalsContact O-SG 3.37Å; L238-C241 WeakPolarHBondContact O-CB 3.35Å; L238-C241 PolarHBondContact O-N 3.29Å; C241-L244 PolarHBondContact O-N 3.24Å; C241-C245 PolarHBondContact O-N 3.32Å; C241-C245 PolarHBondContact O-SG 3.04Å
242L94.4Very high89.5Confident115 Ų11570.5 Ų70.560%0.60240%0.404SS*.Hα-helixtrans-63-43.3176.5-72171.4000112.2L238 G239 V240 L244 C245 I246L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.08Å; G239-L242 PolarHBondContact O-N 3.49Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 2.75Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.42Å; L242-C245 WeakPolarHBondContact O-CB 3.34Å; L242-C245 PolarHBondContact O-N 2.74Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.37Å
243I93.1Very high87.7Confident113 Ų11368.7 Ų68.758%0.57940%0.403SS*.Hα-helixtrans-61.5-43.9176.3-68.8160.9000110.7G239 V240 C245 I246 A247G239-I243 WeakPolarHBondContact O-CG1 3.45Å; G239-I243 PolarHBondContact O-N 3.45Å; V240-I243 PolarHBondContact O-N 3.06Å; I243-C245 VanDerWaalsContact C-N 3.32Å; I243-C245 PolarHBondContact O-N 3.2Å; I243-I246 PolarHBondContact O-N 3.48Å; I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 3.49Å
244L89.3Confident85.7Confident68 Ų6869.4 Ų69.436%0.35641%0.407SS..Hα-helixtrans-61-41.6176.8-69174.2000111.6F20 F21 L24 V240 C241 L242 A247 A248F20-L244 HydrophobicContact CD1-CD1 4.25Å; F20-L244 HydrophobicContact CE1-CD1 4.1Å; F21-L244 HydrophobicContact CD2-CB 4.4Å; F21-L244 HydrophobicContact CD2-CD1 4.37Å; L24-L244 HydrophobicContact CD1-CD1 4.22Å; V240-L244 HydrophobicContact CG1-CD1 4.17Å; V240-L244 HydrophobicContact CG1-CG 4.42Å; V240-L244 WeakPolarHBondContact O-CG 3.36Å; V240-L244 PolarHBondContact O-N 2.9Å; C241-L244 PolarHBondContact O-N 3.24Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.42Å; L244-A247 PolarHBondContact O-N 2.95Å; L244-A248 WeakPolarHBondContact O-CB 3.36Å; L244-A248 PolarHBondContact O-N 2.96Å
245C88Confident83.7Confident55 Ų5572.9 Ų72.937%0.37243%0.43SS..Hα-helixtrans-60.3-49.2174.3-71.30000111.7F21 C241 L242 I243 A247 A248 S249F21-C245 VanDerWaalsContact CE2-SG 3.53Å; C241-C245 PolarHBondContact O-N 3.32Å; C241-C245 PolarHBondContact O-SG 3.04Å; L242-C245 WeakPolarHBondContact O-CB 3.34Å; L242-C245 PolarHBondContact O-N 2.74Å; I243-C245 VanDerWaalsContact C-N 3.32Å; I243-C245 PolarHBondContact O-N 3.2Å; C245-A247 PolarHBondContact O-N 3.28Å; C245-A248 PolarHBondContact O-N 3.11Å; C245-S249 PolarHBondContact O-N 3.14Å; C245-S249 PolarHBondContact O-OG 3.06Å; C245-S249 VanDerWaalsContact O-OG 3.05Å
246I88.7Confident81.4Confident103 Ų10374.7 Ų74.753%0.52843%0.432SS..Hα-helixtrans-62.2-45179.8-66.2165.1000110.7L242 I243 A248 S249 L250L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.37Å; I243-I246 PolarHBondContact O-N 3.48Å; I246-A248 VanDerWaalsContact C-N 3.32Å; I246-A248 PolarHBondContact O-N 3.32Å; I246-S249 PolarHBondContact O-N 3.11Å; I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.47Å
247A85.9Confident79.1Confident43 Ų4380.2 Ų80.236%0.35544%0.441SS..Hα-helixtrans-62.1-39.7178.700000112I243 L244 C245 K251I243-A247 WeakPolarHBondContact O-CB 3.47Å; I243-A247 PolarHBondContact O-N 3.49Å; L244-A247 PolarHBondContact O-N 2.95Å; C245-A247 PolarHBondContact O-N 3.28Å; A247-K251 WeakPolarHBondContact O-CG 3.45Å; A247-K251 PolarHBondContact O-N 3.04Å; A247-K251 VanDerWaalsContact O-N 3.11Å
248A82.3Confident76.9Confident21 Ų2184.1 Ų84.117%0.17446%0.462CS..Hα-helixtrans-64.7-45.3174.200000111.8Y10 L244 C245 I246 L250 K251 T252Y10-A248 WeakPolarHBondContact OH-CB 3.37Å; L244-A248 WeakPolarHBondContact O-CB 3.36Å; L244-A248 PolarHBondContact O-N 2.96Å; C245-A248 PolarHBondContact O-N 3.11Å; I246-A248 VanDerWaalsContact C-N 3.32Å; I246-A248 PolarHBondContact O-N 3.32Å; A248-L250 PolarHBondContact O-N 3.33Å; A248-K251 PolarHBondContact O-N 3.17Å; A248-T252 PolarHBondContact O-N 3.29Å; A248-T252 VanDerWaalsContact O-N 3.11Å; A248-T252 PolarHBondContact O-OG1 3.05Å
249S79.9Confident74.7Confident76 Ų7689.6 Ų89.653%0.53148%0.48SS..Hα-helixtrans-63.6-38.2178-58.10000113.1C245 I246 T252 S253C245-S249 PolarHBondContact O-N 3.14Å; C245-S249 PolarHBondContact O-OG 3.06Å; C245-S249 VanDerWaalsContact O-OG 3.05Å; I246-S249 PolarHBondContact O-N 3.11Å; S249-T252 PolarHBondContact O-OG1 3.46Å; S249-T252 VanDerWaalsContact O-OG1 3.05Å; S249-S253 PolarHBondContact O-N 3.09Å
250L80.1Confident72.6Confident106 Ų10692.8 Ų92.856%0.55549%0.49SS*.Hα-helixtrans-66.8-43.5176-72169000111I246 A248 T252 S253 V254I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.34Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.47Å; A248-L250 PolarHBondContact O-N 3.33Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.46Å; L250-S253 PolarHBondContact O-N 3.47Å; L250-S253 PolarHBondContact O-OG 3.17Å; L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.05Å
251K71.4Confident70.3Confident165 Ų16592.6 Ų92.672%0.71750%0.495SS*.Hα-helixtrans-63.6-31.5177.8-76-176.8-178.2-173.10113.8A247 A248 P255A247-K251 WeakPolarHBondContact O-CG 3.45Å; A247-K251 PolarHBondContact O-N 3.04Å; A247-K251 VanDerWaalsContact O-N 3.11Å; A248-K251 PolarHBondContact O-N 3.17Å; K251-P255 WeakPolarHBondContact O-CD 2.89Å
252T63.3Low68Low85 Ų8594.6 Ų94.652%0.52152%0.516SS..Hα-helixtrans-81.7-22.5176.354.90000113A248 S249 L250 P255A248-T252 PolarHBondContact O-N 3.29Å; A248-T252 VanDerWaalsContact O-N 3.11Å; A248-T252 PolarHBondContact O-OG1 3.05Å; S249-T252 PolarHBondContact O-OG1 3.46Å; S249-T252 VanDerWaalsContact O-OG1 3.05Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.46Å; T252-P255 WeakPolarHBondContact O-CD 3.43Å; T252-P255 WeakPolarHBondContact O-CG 3.39Å
253S58.4Low65.7Low67 Ų6795 Ų9547%0.46952%0.515SS..Hα-helixtrans-75.9-31.2176.172.40000114.3S249 L250S249-S253 PolarHBondContact O-N 3.09Å; L250-S253 PolarHBondContact O-N 3.47Å; L250-S253 PolarHBondContact O-OG 3.17Å
254V55.9Low63.4Low83 Ų8396 Ų9650%0.50352%0.522SS..Hα-helixtrans-64.4-47.4178.5175.30000114L250 H256 R257L250-V254 WeakPolarHBondContact O-CG2 3.46Å; L250-V254 PolarHBondContact O-N 3.05Å; V254-H256 PolarHBondContact O-N 3.21Å; V254-R257 PolarHBondContact O-N 2.83Å
255P53.4Low61.4Low78 Ų7898 Ų9851%0.50654%0.541SS..Hα-helixtrans-65.4-22.2-177.122.1-32.8000114K251 T252K251-P255 WeakPolarHBondContact O-CD 2.89Å; T252-P255 WeakPolarHBondContact O-CD 3.43Å; T252-P255 WeakPolarHBondContact O-CG 3.39Å
256H49.2Very low59.3Low127 Ų127103.8 Ų103.859%0.58856%0.563SS**Hα-helixtrans-76-24.5175.4-162.3-67.4000112.6V254 L260V254-H256 PolarHBondContact O-N 3.21Å; H256-L260 PolarHBondContact O-N 3.41Å
257R48.2Very low57.5Low196 Ų196103.4 Ų103.474%0.7457%0.569SS**Hα-helixtrans-79.6-33.6-179.9-158.9167.278173.75.5112.2V254 L260 A261V254-R257 PolarHBondContact O-N 2.83Å; R257-L260 PolarHBondContact O-N 3.07Å; R257-A261 PolarHBondContact O-N 3.49Å
258D51.6Low55.6Low108 Ų108110 Ų11058%0.57859%0.593SS**Hα-helixtrans-72.9-31.9177.7-63.8-26.9000112.1A261 G262D258-A261 PolarHBondContact O-N 3.47Å; D258-G262 PolarHBondContact O-N 3.44Å; D258-G262 VanDerWaalsContact O-N 3.09Å
259Y49.6Very low54Low173 Ų173114.5 Ų114.568%0.67862%0.62SS**Hα-helixtrans-66.1-38.8172.6-174.1-98.5000112.7
260L51.4Low52.1Low96 Ų96119.5 Ų119.550%0.50364%0.64SS.*Hα-helixtrans-73.8-28.8175.8-87160.4000113.1H256 R257H256-L260 PolarHBondContact O-N 3.41Å; R257-L260 PolarHBondContact O-N 3.07Å
261A48.8Very low50.5Low61 Ų61121.3 Ų121.350%0.50465%0.649SS.*Hα-helixtrans-73.6-33.3174.700000112.5R257 D258 Q263R257-A261 PolarHBondContact O-N 3.49Å; D258-A261 PolarHBondContact O-N 3.47Å; A261-Q263 VanDerWaalsContact C-N 3.34Å; A261-Q263 PolarHBondContact O-N 3.49Å
262G44.9Very low48.9Very low47 Ų47122.3 Ų122.349%0.48566%0.656SS.*Hα-helixtrans-68.8-26.517700000114.5D258D258-G262 PolarHBondContact O-N 3.44Å; D258-G262 VanDerWaalsContact O-N 3.09Å
263Q46.9Very low47.8Very low123 Ų123127 Ų12758%0.57569%0.692SS**G310 helixtrans-80-17.6-176.7-154.2171.513.600113.9A261A261-Q263 VanDerWaalsContact C-N 3.34Å; A261-Q263 PolarHBondContact O-N 3.49Å
264N44.7Very low47.2Very low136 Ų136130 Ų13073%0.72770%0.704SS**G310 helixtrans-86.5-5.3177.5-88.5-13.9000114.3
265S45.9Very low46.8Very low109 Ų109132.5 Ų132.576%0.76271%0.714SS**G310 helixtrans-96.41.9176-720000113.9
266Q45.8Very low46.4Very low177 Ų177135.5 Ų135.583%0.82773%0.726SS**SBendtrans-113.123.8-173.8-157.5158.9-4.700113.8
267S48.9Very low46.3Very low94 Ų94136 Ų13666%0.65773%0.734SS**  trans-12962.1176.742.30000111.2
268E46.6Very low46.1Very low183 Ų183132.3 Ų132.386%0.85573%0.733SS**  trans-106.9118.1163.5-135.7173.2141.700108.4
269P48.9Very low45.8Very low115 Ų115133.9 Ų133.975%0.74774%0.744SS**PPolyproline II helixtrans-79.4122.5-179.329.5-30.5000110.8I271P269-I271 PolarHBondContact O-N 3.43Å
270L41Very low45.5Very low181 Ų181131.1 Ų131.195%0.94875%0.748SS**PPolyproline II helixtrans-68123.2168.4-87.2163.8000110.1
271I45.7Very low45.1Very low143 Ų143133.8 Ų133.873%0.73377%0.767SS**PPolyproline II helixtrans-82.9153172.6-66.5169.4000109.7P269P269-I271 PolarHBondContact O-N 3.43Å
272E38.6Very low44.8Very low186 Ų186139.8 Ų139.887%0.86979%0.789SS**  trans74.7135.5170-84.5171.7149.500116.8
273S39.2Very low44.7Very low184 Ų184148.3 Ų148.3100%1.28782%0.817SS**  cis-150.6030.6-177.80000112.8

Retrieved 273 of 273 residues in 409.1 ms (Link to these results)