A0A060XH14_ONCMY Loading...

Rhomboid domain containing 3

AlphaFold DB , UniProt , Accession A0A060XH14, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rhbdd3, Length 362 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
1M39.9Very low44.4Very low193 Ų193112.9 Ų112.995%0.95154%0.543SS*.  0-48.60-165.5171.2-172.200110.4D3 R4M1-D3 PolarHBondContact N-OD2 3.43Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.03Å
2V37.2Very low45.1Very low98 Ų98105.1 Ų105.159%0.59451%0.505SS*.Hα-helixtrans-42.6-38.7168.3-179.60000112.6R4 I5 C6V2-R4 VanDerWaalsContact C-N 3.26Å; V2-R4 PolarHBondContact O-N 3.16Å; V2-R4 VanDerWaalsContact O-N 3.16Å; V2-I5 CarbonylContact O-C 3.57Å; V2-I5 WeakPolarHBondContact O-CA 3.38Å; V2-I5 WeakPolarHBondContact O-CB 3.37Å; V2-I5 PolarHBondContact O-N 3.04Å; V2-C6 PolarHBondContact O-N 3.16Å
3D35.5Very low45.6Very low121 Ų12198.5 Ų98.565%0.64748%0.481SS*.Hα-helixtrans-55.3-33.6-179.8-33.4-83.7000113.9M1 S7M1-D3 PolarHBondContact N-OD2 3.43Å; M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.08Å; D3-S7 VanDerWaalsContact O-CB 3.26Å; D3-S7 WeakPolarHBondContact O-CB 3.38Å; D3-S7 PolarHBondContact O-N 2.89Å
4R43.6Very low46.4Very low206 Ų20693.4 Ų93.478%0.77746%0.461SS*.Hα-helixtrans-75.1-30.2174.1-74.5-169.7177.5-171.61.6112.3M1 V2 S7 I8M1-R4 PolarHBondContact O-N 3.03Å; V2-R4 VanDerWaalsContact C-N 3.26Å; V2-R4 PolarHBondContact O-N 3.16Å; V2-R4 VanDerWaalsContact O-N 3.16Å; R4-S7 WeakPolarHBondContact O-CB 3.45Å; R4-I8 WeakPolarHBondContact O-CG1 3.49Å; R4-I8 PolarHBondContact O-N 2.88Å; R4-I8 VanDerWaalsContact O-N 3.08Å
5I44.7Very low47.4Very low101 Ų10195.2 Ų95.252%0.51847%0.473SS..Hα-helixtrans-74.3-46.2175.8-53.7174.3000109.2V2 S7 I8 W9V2-I5 CarbonylContact O-C 3.57Å; V2-I5 WeakPolarHBondContact O-CA 3.38Å; V2-I5 WeakPolarHBondContact O-CB 3.37Å; V2-I5 PolarHBondContact O-N 3.04Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.08Å; I5-I8 WeakPolarHBondContact O-CB 3.26Å; I5-I8 PolarHBondContact O-N 3.4Å; I5-I8 VanDerWaalsContact O-N 3.1Å; I5-W9 PolarHBondContact O-N 2.96Å; I5-W9 VanDerWaalsContact O-N 3.08Å
6C42.2Very low48.6Very low60 Ų6090.8 Ų90.841%0.40545%0.449SS..Hα-helixtrans-57.2-42.1169.2-65.20000111.3V2 I8 W9 F10V2-C6 PolarHBondContact O-N 3.16Å; C6-I8 PolarHBondContact O-N 2.84Å; C6-W9 WeakPolarHBondContact O-CB 3.48Å; C6-W9 PolarHBondContact O-N 3.41Å; C6-W9 VanDerWaalsContact O-N 3.15Å; C6-F10 WeakPolarHBondContact O-CD2 3.5Å; C6-F10 PolarHBondContact O-N 3.08Å
7S46.3Very low49.5Very low49 Ų4991.2 Ų91.234%0.34346%0.46SS..Hα-helixtrans-55.5-48.9173.1-173.80000111.1D3 R4 I5 W9 F10 W11D3-S7 VanDerWaalsContact O-CB 3.26Å; D3-S7 WeakPolarHBondContact O-CB 3.38Å; D3-S7 PolarHBondContact O-N 2.89Å; R4-S7 WeakPolarHBondContact O-CB 3.45Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.08Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.46Å; S7-F10 CarbonylContact O-C 3.55Å; S7-F10 WeakPolarHBondContact O-CA 3.48Å; S7-F10 WeakPolarHBondContact O-CB 3.49Å; S7-F10 PolarHBondContact O-N 2.92Å; S7-W11 VanDerWaalsContact C-CD1 3.48Å; S7-W11 PolarHBondContact O-N 3.47Å; S7-W11 PolarHBondContact OG-NE1 3.22Å; S7-W11 VanDerWaalsContact OG-NE1 3.09Å
8I49.5Very low50.7Low73 Ų7387.6 Ų87.637%0.37445%0.45SS..Hα-helixtrans-56.5-41.8176.7-68.7163.4000111.7R4 I5 C6 F10 W11 F12R4-I8 WeakPolarHBondContact O-CG1 3.49Å; R4-I8 PolarHBondContact O-N 2.88Å; R4-I8 VanDerWaalsContact O-N 3.08Å; I5-I8 WeakPolarHBondContact O-CB 3.26Å; I5-I8 PolarHBondContact O-N 3.4Å; I5-I8 VanDerWaalsContact O-N 3.1Å; C6-I8 PolarHBondContact O-N 2.84Å; I8-F10 PolarHBondContact O-N 3.37Å; I8-W11 PolarHBondContact O-N 3.24Å; I8-F12 PolarHBondContact O-N 2.93Å
9W51.7Low52.2Low87 Ų8788.6 Ų88.633%0.3345%0.451SS..Hα-helixtrans-59.3-43.9171.1-92.235.7000112.7I5 C6 S7 W11 F12 G13 L78 P81I5-W9 PolarHBondContact O-N 2.96Å; I5-W9 VanDerWaalsContact O-N 3.08Å; C6-W9 WeakPolarHBondContact O-CB 3.48Å; C6-W9 PolarHBondContact O-N 3.41Å; C6-W9 VanDerWaalsContact O-N 3.15Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.46Å; W9-W11 VanDerWaalsContact C-N 3.34Å; W9-W11 PolarHBondContact O-N 3.26Å; W9-F12 PolarHBondContact O-N 3.07Å; W9-G13 PolarHBondContact O-N 3.41Å; W9-L78 PolarHBondContact NE1-O 3.44Å; W9-L78 VanDerWaalsContact NE1-O 3.1Å; W9-P81 HydrophobicContact CH2-CB 3.5Å; W9-P81 HydrophobicContact CH2-CG 3.75Å; W9-P81 HydrophobicContact CZ2-CB 4Å; W9-P81 HydrophobicContact CZ2-CG 4.06Å; W9-P81 HydrophobicContact CZ3-CB 3.97Å
10F47.4Very low54Low128 Ų12886.5 Ų86.556%0.56144%0.438SS*.Hα-helixtrans-66.3-26.3173.6-89.5-92.9000114.2C6 S7 I8 F12 N15C6-F10 WeakPolarHBondContact O-CD2 3.5Å; C6-F10 PolarHBondContact O-N 3.08Å; S7-F10 CarbonylContact O-C 3.55Å; S7-F10 WeakPolarHBondContact O-CA 3.48Å; S7-F10 WeakPolarHBondContact O-CB 3.49Å; S7-F10 PolarHBondContact O-N 2.92Å; I8-F10 PolarHBondContact O-N 3.37Å; F10-F12 PolarHBondContact O-N 3.08Å; F10-N15 WeakPolarHBondContact CE1-OD1 3.36Å
11W49.9Very low55.7Low126 Ų12684.5 Ų84.548%0.47743%0.428SS..Hα-helixtrans-69.3-22.5174.1-7597.3000112.7S7 I8 W9S7-W11 VanDerWaalsContact C-CD1 3.48Å; S7-W11 PolarHBondContact O-N 3.47Å; S7-W11 PolarHBondContact OG-NE1 3.22Å; S7-W11 VanDerWaalsContact OG-NE1 3.09Å; I8-W11 PolarHBondContact O-N 3.24Å; W9-W11 VanDerWaalsContact C-N 3.34Å; W9-W11 PolarHBondContact O-N 3.26Å
12F53.6Low58Low19 Ų1975.3 Ų75.38%0.08338%0.383CS..Hα-helixtrans-114.8-31.1-175.7-75.5-88.5000115.2I8 W9 F10 C82 R86 Q135 V139 L144I8-F12 PolarHBondContact O-N 2.93Å; W9-F12 PolarHBondContact O-N 3.07Å; F10-F12 PolarHBondContact O-N 3.08Å; F12-C82 HydrophobicContact CB-CB 4.28Å; F12-R86 PolarHBondContact O-NE 3.4Å; F12-R86 PolarHBondContact O-NH2 3.2Å; F12-Q135 HydrophobicContact CD1-CG 4.08Å; F12-V139 HydrophobicContact CD1-CG2 3.87Å; F12-V139 HydrophobicContact CE1-CG2 3.74Å; F12-L144 HydrophobicContact CE2-CD1 3.94Å; F12-L144 HydrophobicContact CE2-CD2 4.31Å; F12-L144 HydrophobicContact CZ-CD1 4.44Å; F12-L144 HydrophobicContact CZ-CD2 4.36Å
13G51.4Low60.6Low19 Ų1970.9 Ų70.920%0.19636%0.356CS..  trans-88.6162.9178.400000114.7W9W9-G13 PolarHBondContact O-N 3.41Å
14S57.1Low63.3Low28 Ų2867.1 Ų67.120%0.19634%0.338CS..  trans-97.3155.4166.5-168.30000109.9R16 R85 R214S14-R16 PolarHBondContact O-N 2.97Å; S14-R85 WeakPolarHBondContact O-CD 3.11Å; S14-R85 WeakPolarHBondContact O-CG 3.45Å; S14-R85 PolarHBondContact O-NE 3.05Å; S14-R214 PolarHBondContact OG-NH2 3.31Å; S14-R214 VanDerWaalsContact OG-NH2 3.11Å
15N60.7Low65.7Low120 Ų12062.4 Ų62.464%0.64232%0.323SS*.  trans-75.654.9175.4-70.22.9000112.6F10F10-N15 WeakPolarHBondContact CE1-OD1 3.36Å
16R66.9Low68Low25 Ų2558.3 Ų58.39%0.09430%0.302CS..  trans-85.9131.8174.1-71.5-174.7171.9174.3-4.4110.5S14 R85 V209 P210 Y212S14-R16 PolarHBondContact O-N 2.97Å; R16-R85 HydrophobicContact CB-CG 4.45Å; R16-R85 PolarHBondContact O-NE 3.21Å; R16-R85 PolarHBondContact O-NH2 3.17Å; R16-V209 HydrophobicContact CB-CG1 3.84Å; R16-P210 VanDerWaalsContact CZ-O 3.31Å; R16-P210 PolarHBondContact NH1-O 3.28Å; R16-Y212 PolarHBondContact NH2-O 2.86Å
17P63.7Low70.5Confident98 Ų9857 Ų5764%0.63629%0.291SS*.  trans-71.2175.3162.334.3-35.3000110.4
18G70.7Confident72.7Confident26 Ų2659.1 Ų59.127%0.26830%0.302SS..SBendtrans111.8151.2-177.300000113Y208G18-Y208 VanDerWaalsContact CA-O 3.24Å; G18-Y208 WeakPolarHBondContact CA-O 3.32Å
19F80.4Confident74.7Confident107 Ų10757.8 Ų57.847%0.46930%0.295SS..  trans-76.8144175.1-177.3-104.1000111.1L21 T24 W206 Y208 V209F19-L21 HydrophobicContact CD1-CB 4.2Å; F19-L21 HydrophobicContact CD1-CD1 4.37Å; F19-L21 HydrophobicContact CE1-CD1 4.4Å; F19-L21 PolarHBondContact O-N 3.43Å; F19-T24 HydrophobicContact CE1-CG2 3.99Å; F19-T24 WeakPolarHBondContact CE1-OG1 3.38Å; F19-T24 HydrophobicContact CZ-CG2 3.76Å; F19-W206 WeakPolarHBondContact CB-O 3.37Å; F19-W206 PolarHBondContact N-O 3.28Å; F19-Y208 CarbonylContact O-C 3.56Å; F19-Y208 WeakPolarHBondContact O-CA 3.26Å; F19-V209 WeakPolarHBondContact O-CG2 3.42Å
20F86.9Confident76.6Confident46 Ų4653.9 Ų53.920%0.20228%0.281CS..  trans-79.655.2-177.6-53.5-67.9000112.5G22 T23 T24 P81 E84 R85 V209F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.9Å; F20-T23 VanDerWaalsContact CB-OG1 3.26Å; F20-T23 WeakPolarHBondContact CB-OG1 3.47Å; F20-T23 PolarHBondContact O-N 3.35Å; F20-T23 VanDerWaalsContact O-N 3.13Å; F20-T23 PolarHBondContact O-OG1 3.03Å; F20-T24 PolarHBondContact O-N 3.2Å; F20-T24 PolarHBondContact O-OG1 3.28Å; F20-P81 HydrophobicContact CD1-CB 3.87Å; F20-P81 HydrophobicContact CD2-CB 4.09Å; F20-P81 HydrophobicContact CD2-CG 4.46Å; F20-P81 HydrophobicContact CE1-CB 3.87Å; F20-P81 HydrophobicContact CE2-CB 4.1Å; F20-P81 HydrophobicContact CG-CB 3.99Å; F20-P81 HydrophobicContact CG-CG 4.44Å; F20-P81 HydrophobicContact CZ-CB 3.99Å; F20-E84 VanDerWaalsContact CA-OE2 3.32Å; F20-E84 WeakPolarHBondContact CA-OE2 3.41Å; F20-R85 HydrophobicContact CE1-CB 4.22Å; F20-V209 HydrophobicContact CD1-CG2 4.2Å
21L89.6Confident78.7Confident44 Ų4449 Ų4923%0.2327%0.266CS..Hα-helixtrans-51.9-45.6-171.9-174.164.8000112.6F19 T23 T24 F25 E84 T89 F200 L203 A207F19-L21 HydrophobicContact CD1-CB 4.2Å; F19-L21 HydrophobicContact CD1-CD1 4.37Å; F19-L21 HydrophobicContact CE1-CD1 4.4Å; F19-L21 PolarHBondContact O-N 3.43Å; L21-T23 PolarHBondContact O-N 3.08Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-N 3.15Å; L21-T24 PolarHBondContact O-OG1 3.43Å; L21-F25 VanDerWaalsContact O-CB 3.25Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 2.92Å; L21-E84 PolarHBondContact N-OE1 3.37Å; L21-T89 HydrophobicContact CB-CG2 4.24Å; L21-F200 HydrophobicContact CD2-CE1 4.2Å; L21-L203 HydrophobicContact CD2-CD2 3.5Å; L21-A207 WeakPolarHBondContact CB-O 3.38Å
22G89.6Confident80.7Confident0 Ų048.8 Ų48.80%027%0.274CS..Hα-helixtrans-61.2-45.3-178.800000111.9F20 F25 L26 E84F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.9Å; G22-F25 PolarHBondContact O-N 3.09Å; G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.25Å; G22-L26 PolarHBondContact O-N 3.15Å; G22-E84 PolarHBondContact N-OE1 3Å; G22-E84 PolarHBondContact N-OE2 3.48Å
23T91.9Very high82.4Confident5 Ų548.7 Ų48.73%0.03127%0.274CS..Hα-helixtrans-66.3-42.8176.262.80000112.6F20 L21 F25 L26 L27 G80 P81 E84 F92F20-T23 VanDerWaalsContact CB-OG1 3.26Å; F20-T23 WeakPolarHBondContact CB-OG1 3.47Å; F20-T23 PolarHBondContact O-N 3.35Å; F20-T23 VanDerWaalsContact O-N 3.13Å; F20-T23 PolarHBondContact O-OG1 3.03Å; L21-T23 PolarHBondContact O-N 3.08Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.33Å; T23-L26 PolarHBondContact O-N 3.08Å; T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 3.42Å; T23-G80 VanDerWaalsContact CG2-CA 3.45Å; T23-P81 HydrophobicContact CG2-CG 4.29Å; T23-E84 HydrophobicContact CG2-CB 4.42Å; T23-E84 WeakPolarHBondContact CG2-OE2 3.47Å; T23-E84 PolarHBondContact N-OE2 2.82Å; T23-F92 HydrophobicContact CG2-CE1 3.86Å; T23-F92 HydrophobicContact CG2-CZ 3.98Å
24T92.4Very high84.3Confident43 Ų4352.2 Ų52.226%0.26428%0.282SS..Hα-helixtrans-65.8-35.2178.8550000111.9F19 F20 L21 L27 T28F19-T24 HydrophobicContact CE1-CG2 3.99Å; F19-T24 WeakPolarHBondContact CE1-OG1 3.38Å; F19-T24 HydrophobicContact CZ-CG2 3.76Å; F20-T24 PolarHBondContact O-N 3.2Å; F20-T24 PolarHBondContact O-OG1 3.28Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-N 3.15Å; L21-T24 PolarHBondContact O-OG1 3.43Å; T24-L27 PolarHBondContact O-N 2.84Å; T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 VanDerWaalsContact O-CG2 3.3Å; T24-T28 WeakPolarHBondContact O-CG2 3.38Å; T24-T28 PolarHBondContact O-N 2.84Å; T24-T28 PolarHBondContact O-OG1 2.84Å
25F93.1Very high85.9Confident107 Ų10758 Ų5847%0.46931%0.309SS..Hα-helixtrans-65-46.7174.2176.3-98.2000112.1L21 G22 T23 L27 T28 L29 L93L21-F25 VanDerWaalsContact O-CB 3.25Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 2.92Å; G22-F25 PolarHBondContact O-N 3.09Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.33Å; F25-L27 VanDerWaalsContact C-N 3.35Å; F25-L27 PolarHBondContact O-N 3.1Å; F25-T28 PolarHBondContact O-N 2.84Å; F25-T28 PolarHBondContact O-OG1 2.94Å; F25-L29 HydrophobicContact CE1-CD1 3.97Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 VanDerWaalsContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 2.91Å; F25-L93 HydrophobicContact CD1-CD2 4.1Å
26L93.4Very high87.1Confident14 Ų1454.6 Ų54.67%0.07330%0.303CS..Hα-helixtrans-65.9-37.8177.3-64.3172.7000111.6G22 T23 M30 F61 L76 F92 L93G22-L26 VanDerWaalsContact O-CG 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.25Å; G22-L26 PolarHBondContact O-N 3.15Å; T23-L26 PolarHBondContact O-N 3.08Å; L26-M30 VanDerWaalsContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CB 3.19Å; L26-M30 PolarHBondContact O-N 3.01Å; L26-F61 HydrophobicContact CB-CE1 4.48Å; L26-F61 HydrophobicContact CD2-CE1 3.57Å; L26-F61 HydrophobicContact CD2-CZ 3.71Å; L26-L76 HydrophobicContact CB-CD2 3.81Å; L26-L76 HydrophobicContact CD1-CD1 4.48Å; L26-F92 HydrophobicContact CD1-CE1 3.61Å; L26-F92 HydrophobicContact CD1-CZ 3.69Å; L26-L93 HydrophobicContact CD1-CD2 4.15Å; L26-L93 HydrophobicContact CD2-CD2 4.08Å; L26-L93 HydrophobicContact CG-CD2 3.93Å
27L93.8Very high87.8Confident34 Ų3456.2 Ų56.218%0.17833%0.327CS..Hα-helixtrans-66.7-45.7175.1-75.4165.1000112.7T23 T24 F25 M30 G31 A73 L76 L77T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.4Å; T23-L27 PolarHBondContact O-N 3.42Å; T24-L27 PolarHBondContact O-N 2.84Å; F25-L27 VanDerWaalsContact C-N 3.35Å; F25-L27 PolarHBondContact O-N 3.1Å; L27-M30 HydrophobicContact CD2-CE 4.4Å; L27-M30 PolarHBondContact O-N 2.96Å; L27-G31 PolarHBondContact O-N 2.82Å; L27-A73 HydrophobicContact CD2-CB 4.17Å; L27-L76 HydrophobicContact CD2-CB 4.19Å; L27-L76 HydrophobicContact CD2-CD2 3.75Å; L27-L76 HydrophobicContact CD2-CG 4.05Å; L27-L76 HydrophobicContact CG-CD2 3.67Å; L27-L76 HydrophobicContact CG-CG 3.98Å; L27-L77 HydrophobicContact CD1-CD2 3.54Å; L27-L77 HydrophobicContact CD1-CG 3.84Å; L27-L77 HydrophobicContact CD2-CG 4.28Å
28T93Very high88.5Confident93 Ų9354.7 Ų54.757%0.57131%0.313SS*.Hα-helixtrans-68.6-37178.752.90000111.6T24 F25 G31 L32T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 VanDerWaalsContact O-CG2 3.3Å; T24-T28 WeakPolarHBondContact O-CG2 3.38Å; T24-T28 PolarHBondContact O-N 2.84Å; T24-T28 PolarHBondContact O-OG1 2.84Å; F25-T28 PolarHBondContact O-N 2.84Å; F25-T28 PolarHBondContact O-OG1 2.94Å; T28-G31 PolarHBondContact O-N 3.49Å; T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 PolarHBondContact O-N 3.4Å
29L92Very high88.6Confident44 Ų4458.9 Ų58.923%0.2334%0.336CS..Hα-helixtrans-65.7-44.1176-159.4159.1000111.1F25 L32 M33 F61F25-L29 HydrophobicContact CE1-CD1 3.97Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 VanDerWaalsContact O-CB 3.25Å; F25-L29 WeakPolarHBondContact O-CB 3.42Å; F25-L29 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.19Å; L29-M33 HydrophobicContact CD2-CG 3.97Å; L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.32Å; L29-M33 WeakPolarHBondContact O-CG 3.43Å; L29-M33 PolarHBondContact O-N 3.12Å; L29-F61 HydrophobicContact CD2-CB 3.67Å; L29-F61 HydrophobicContact CD2-CD1 3.78Å; L29-F61 HydrophobicContact CD2-CD2 3.72Å; L29-F61 HydrophobicContact CD2-CE1 4.32Å; L29-F61 HydrophobicContact CD2-CE2 4.26Å; L29-F61 HydrophobicContact CD2-CG 3.44Å; L29-F61 VanDerWaalsContact CD2-CG 3.44Å
30M91.3Very high88.6Confident5 Ų554 Ų543%0.02532%0.315CS..Hα-helixtrans-62.9-42.1174.6-168.1179.576.500112.3L26 L27 W34 F61 L69 N72 A73L26-M30 VanDerWaalsContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CB 3.19Å; L26-M30 PolarHBondContact O-N 3.01Å; L27-M30 HydrophobicContact CD2-CE 4.4Å; L27-M30 PolarHBondContact O-N 2.96Å; M30-W34 PolarHBondContact O-N 3.17Å; M30-W34 VanDerWaalsContact O-N 3.16Å; M30-F61 HydrophobicContact CB-CD1 4.42Å; M30-L69 HydrophobicContact CE-CD1 3.87Å; M30-L69 HydrophobicContact CG-CD1 3.71Å; M30-L69 HydrophobicContact SD-CD1 4.19Å; M30-N72 HydrophobicContact SD-CB 4.19Å; M30-A73 HydrophobicContact CE-CB 3.69Å
31G90.9Very high88.4Confident25 Ų2553.6 Ų53.626%0.25832%0.318SS..Hα-helixtrans-66.1-38174.300000113.5L27 T28 W34 L35L27-G31 PolarHBondContact O-N 2.82Å; T28-G31 PolarHBondContact O-N 3.49Å; G31-W34 PolarHBondContact O-N 3.46Å; G31-L35 WeakPolarHBondContact O-CB 3.41Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 3.24Å
32L91.6Very high87.9Confident123 Ų12351.6 Ų51.664%0.64431%0.308SS*.Hα-helixtrans-70.2-37.9177.4-174.666.8000112T28 L29 W34 G36T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 3.19Å; L32-W34 VanDerWaalsContact C-N 3.35Å; L32-G36 PolarHBondContact O-N 2.66Å
33M90.9Very high87.4Confident17 Ų1754.2 Ų54.28%0.08433%0.326CS..Hα-helixtrans-62.9-40.4173.2-77.2-67.1-63.400112L29 G37 I38 A40 L58 F61L29-M33 HydrophobicContact CD2-CG 3.97Å; L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.32Å; L29-M33 WeakPolarHBondContact O-CG 3.43Å; L29-M33 PolarHBondContact O-N 3.12Å; M33-G37 PolarHBondContact O-N 2.9Å; M33-I38 HydrophobicContact CE-CB 3.85Å; M33-I38 HydrophobicContact CE-CG2 3.88Å; M33-I38 PolarHBondContact O-N 3.48Å; M33-I38 HydrophobicContact SD-CB 4.27Å; M33-I38 HydrophobicContact SD-CD1 4.31Å; M33-A40 HydrophobicContact CE-CB 4.26Å; M33-L58 HydrophobicContact CE-CB 4.04Å; M33-L58 HydrophobicContact CE-CD1 4.18Å; M33-L58 HydrophobicContact CE-CD2 4.48Å; M33-L58 HydrophobicContact CE-CG 4.47Å; M33-L58 HydrophobicContact SD-CD1 4.28Å; M33-L58 HydrophobicContact SD-CD2 4.13Å; M33-F61 HydrophobicContact CG-CB 4Å
34W90.1Very high86.9Confident93 Ų9354.5 Ų54.535%0.35233%0.327SS..Hα-helixtrans-66.7-51.3173.9178.1-96.7000112.2M30 G31 L32 G36 G37 H63 L66 L69M30-W34 PolarHBondContact O-N 3.17Å; M30-W34 VanDerWaalsContact O-N 3.16Å; G31-W34 PolarHBondContact O-N 3.46Å; L32-W34 VanDerWaalsContact C-N 3.35Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 3.41Å; W34-G37 PolarHBondContact O-N 2.87Å; W34-H63 HydrophobicContact CE3-CB 4.28Å; W34-H63 VanDerWaalsContact CE3-O 3.29Å; W34-H63 VanDerWaalsContact CZ3-O 3.26Å; W34-H63 WeakPolarHBondContact CZ3-O 3.29Å; W34-L66 HydrophobicContact CH2-CB 4.12Å; W34-L66 HydrophobicContact CZ2-CB 4.09Å; W34-L66 HydrophobicContact CZ2-CD1 4.01Å; W34-L69 HydrophobicContact CB-CD1 4.28Å; W34-L69 HydrophobicContact CB-CD2 4.04Å; W34-L69 HydrophobicContact CD2-CD2 3.64Å; W34-L69 HydrophobicContact CE3-CD2 4.17Å; W34-L69 HydrophobicContact CG-CD2 3.55Å
35L90.4Very high86.1Confident148 Ų14853.6 Ų53.678%0.77533%0.326SS*.Hα-helixtrans-64.2-34.2179.4-73.4170.2000113.2G31 G37G31-L35 WeakPolarHBondContact O-CB 3.41Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 3.24Å; L35-G37 PolarHBondContact O-N 3.08Å
36G86.1Confident84.8Confident49 Ų4951.7 Ų51.751%0.50533%0.325SS..THydrogen-bonded Turntrans-76.6-6.7174.600000114.2L32 W34 I38L32-G36 PolarHBondContact O-N 2.66Å; W34-G36 VanDerWaalsContact C-N 3.32Å; W34-G36 PolarHBondContact O-N 3.41Å; G36-I38 VanDerWaalsContact C-N 3.3Å; G36-I38 WeakPolarHBondContact O-CG1 3.49Å; G36-I38 PolarHBondContact O-N 2.85Å
37G81.7Confident83.7Confident59 Ų5955.2 Ų55.261%0.60836%0.364SS*.THydrogen-bonded Turntrans57.938.1178.100000113.7M33 W34 L35 P39M33-G37 PolarHBondContact O-N 2.9Å; W34-G37 PolarHBondContact O-N 2.87Å; L35-G37 PolarHBondContact O-N 3.08Å; G37-P39 WeakPolarHBondContact O-CD 3.44Å
38I78.1Confident82.3Confident67 Ų6754.9 Ų54.934%0.34437%0.369SS..  trans-95.399.4-174.7-55.1-179.3000110.1M33 G36 A40M33-I38 HydrophobicContact CE-CB 3.85Å; M33-I38 HydrophobicContact CE-CG2 3.88Å; M33-I38 PolarHBondContact O-N 3.48Å; M33-I38 HydrophobicContact SD-CB 4.27Å; M33-I38 HydrophobicContact SD-CD1 4.31Å; G36-I38 VanDerWaalsContact C-N 3.3Å; G36-I38 WeakPolarHBondContact O-CG1 3.49Å; G36-I38 PolarHBondContact O-N 2.85Å; I38-A40 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact O-N 3.14Å
39P74.6Confident81.3Confident114 Ų11458.4 Ų58.474%0.7438%0.379SS*.  trans-72108.7174.930.1-35.4000110.2G37G37-P39 WeakPolarHBondContact O-CD 3.44Å
40A79.8Confident80Confident4 Ų467.3 Ų67.33%0.03341%0.411CS..  trans-118.599168.200000108.2M33 I38 L58 Y59 S62M33-A40 HydrophobicContact CE-CB 4.26Å; I38-A40 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact O-N 3.14Å; A40-L58 HydrophobicContact CB-CB 3.77Å; A40-Y59 WeakPolarHBondContact O-CA 3.46Å; A40-S62 VanDerWaalsContact O-CB 3.29Å; A40-S62 WeakPolarHBondContact O-CB 3.26Å; A40-S62 PolarHBondContact O-OG 2.92Å
41S82.1Confident79Confident38 Ų3869.7 Ų69.727%0.26643%0.427SS..  trans-127.4131.6-179.959.90000109.8R120S41-R120 PolarHBondContact OG-NE 2.87Å; S41-R120 PolarHBondContact OG-NH2 2.83Å
42L79.4Confident78.3Confident2 Ų270 Ų701%0.0143%0.43CS..EExtended strand (participates in β ladder)trans-82.6129.4177.9-61.4175.9000110.1L44 P51 D55 L56 Y59 P104 R120 V121L42-L44 HydrophobicContact CB-CD1 4.17Å; L42-L44 HydrophobicContact CB-CD2 4.25Å; L42-L44 HydrophobicContact CB-CG 3.94Å; L42-L44 HydrophobicContact CD1-CD1 4.29Å; L42-P51 HydrophobicContact CD2-CB 3.36Å; L42-P51 HydrophobicContact CD2-CG 4.05Å; L42-D55 HydrophobicContact CD2-CB 3.95Å; L42-L56 HydrophobicContact CD1-CD1 4.4Å; L42-Y59 HydrophobicContact CD1-CD1 3.4Å; L42-Y59 HydrophobicContact CD1-CD2 3.96Å; L42-Y59 HydrophobicContact CD1-CE1 3.8Å; L42-Y59 HydrophobicContact CD1-CE2 4.34Å; L42-Y59 HydrophobicContact CD1-CG 3.48Å; L42-Y59 VanDerWaalsContact CD1-CG 3.48Å; L42-Y59 HydrophobicContact CG-CD1 4.02Å; L42-Y59 HydrophobicContact CG-CD2 4.38Å; L42-Y59 HydrophobicContact CG-CG 3.75Å; L42-P104 HydrophobicContact CD1-CB 3.71Å; L42-P104 HydrophobicContact CD1-CG 3.43Å; L42-P104 VanDerWaalsContact CD1-CG 3.43Å; L42-R120 CarbonylContact O-C 3.59Å; L42-R120 WeakPolarHBondContact O-CA 3.35Å; L42-V121 HydrophobicContact CB-CB 4.43Å; L42-V121 PolarHBondContact N-O 3Å; L42-V121 PolarHBondContact O-N 2.94Å
43S79.7Confident77.6Confident55 Ų5569.7 Ų69.739%0.38544%0.437SS..EExtended strand (participates in β ladder)trans-92.2120.515943.60000108.7S119S43-S119 WeakPolarHBondContact CA-O 3.35Å
44L80.6Confident77.1Confident11 Ų1176.2 Ų76.26%0.05846%0.46CS..EExtended strand (participates in β ladder)trans-128.3126.5-174.6-61.5171.8000109.2L42 P104 Y107 L111 A118 S119 V121L42-L44 HydrophobicContact CB-CD1 4.17Å; L42-L44 HydrophobicContact CB-CD2 4.25Å; L42-L44 HydrophobicContact CB-CG 3.94Å; L42-L44 HydrophobicContact CD1-CD1 4.29Å; L44-P104 HydrophobicContact CD1-CB 3.9Å; L44-P104 HydrophobicContact CD2-CB 4.25Å; L44-Y107 HydrophobicContact CD1-CD1 3.96Å; L44-L111 HydrophobicContact CB-CD1 4.18Å; L44-L111 WeakPolarHBondContact O-CD1 3.44Å; L44-A118 CarbonylContact O-C 3.48Å; L44-A118 WeakPolarHBondContact O-CA 3.47Å; L44-S119 PolarHBondContact N-O 3.18Å; L44-S119 PolarHBondContact O-N 3.25Å; L44-S119 PolarHBondContact O-OG 3.08Å; L44-V121 HydrophobicContact CD1-CB 4.35Å; L44-V121 HydrophobicContact CD1-CG2 4.12Å
45G74.8Confident76.7Confident23 Ų2374.4 Ų74.424%0.23746%0.458CS..SBendtrans141.1179.5177.800000112.9G47 G48G45-G47 PolarHBondContact O-N 2.93Å; G45-G48 PolarHBondContact O-N 3.09Å
46P66.9Low76.3Confident68 Ų6870 Ų7044%0.44243%0.434SS..THydrogen-bonded Turntrans-62.3128.3179.426.7-33.7000110.9G48 D116P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 2.87Å; P46-D116 VanDerWaalsContact CD-O 3.23Å; P46-D116 WeakPolarHBondContact CD-O 3.4Å; P46-D116 WeakPolarHBondContact CG-O 3.36Å
47G69.1Low76Confident87 Ų8770.2 Ų70.290%0.89743%0.429SS*.THydrogen-bonded Turntrans81.1-4.6-17400000115.1G45G45-G47 PolarHBondContact O-N 2.93Å
48G65.4Low76.3Confident27 Ų2769.1 Ų69.128%0.27841%0.408SS..PPolyproline II helixtrans-65.5148.7170.500000112.4G45 P46G45-G48 PolarHBondContact O-N 3.09Å; P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 2.87Å
49Q71.3Confident76.8Confident168 Ų16866 Ų6679%0.78539%0.392SS*.PPolyproline II helixtrans-83133.6178.2-162.4164.821.900110
50Y66.2Low77.4Confident231 Ų23160.6 Ų60.691%0.90636%0.357SS*.PPolyproline II helixtrans-57123.1-176.9-69.6-78.6000111.5
51P70.3Confident77.9Confident55 Ų5561.1 Ų61.136%0.35736%0.359SS..PPolyproline II helixtrans-73.7144.5-17629.3-35.3000112L42L42-P51 HydrophobicContact CD2-CB 3.36Å; L42-P51 HydrophobicContact CD2-CG 4.05Å
52G76.4Confident78.1Confident32 Ų3259.6 Ų59.633%0.3335%0.348SS..PPolyproline II helixtrans-70.5156.4172.900000112R54 D55 L56G52-R54 PolarHBondContact O-N 3.24Å; G52-R54 VanDerWaalsContact O-N 3.12Å; G52-D55 VanDerWaalsContact CA-OD2 3.31Å; G52-D55 WeakPolarHBondContact CA-OD2 3.4Å; G52-D55 PolarHBondContact N-OD2 3.28Å; G52-D55 PolarHBondContact O-N 3.17Å; G52-L56 PolarHBondContact O-N 3.04Å
53C75.1Confident78.5Confident115 Ų11560.3 Ų60.378%0.77735%0.351SS*.Hα-helixtrans-58.1-27.4175.5-59.30000112.9S57C53-S57 PolarHBondContact O-N 3Å; C53-S57 PolarHBondContact O-OG 3.11Å
54R81.2Confident78.8Confident154 Ų15461.9 Ų61.958%0.58135%0.353SS*.Hα-helixtrans-66.7-46.1171.7179.6-179.7178.1-153-1.4111.5G52 S57 L58G52-R54 PolarHBondContact O-N 3.24Å; G52-R54 VanDerWaalsContact O-N 3.12Å; R54-S57 PolarHBondContact O-N 2.97Å; R54-S57 PolarHBondContact O-OG 3.26Å; R54-L58 HydrophobicContact CG-CD1 3.64Å; R54-L58 HydrophobicContact CG-CG 4.23Å; R54-L58 WeakPolarHBondContact O-CB 3.17Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.22Å
55D81.4Confident79.1Confident56 Ų5665.5 Ų65.530%0.29937%0.369SS..Hα-helixtrans-71.3-40.1-176.3-43.3-53.9000110L42 G52 S57 L58 Y59L42-D55 HydrophobicContact CD2-CB 3.95Å; G52-D55 VanDerWaalsContact CA-OD2 3.31Å; G52-D55 WeakPolarHBondContact CA-OD2 3.4Å; G52-D55 PolarHBondContact N-OD2 3.28Å; G52-D55 PolarHBondContact O-N 3.17Å; D55-S57 PolarHBondContact O-N 3.48Å; D55-S57 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 3.38Å; D55-Y59 WeakPolarHBondContact O-CB 3.43Å; D55-Y59 PolarHBondContact O-N 2.92Å
56L82.6Confident79.8Confident54 Ų5469.4 Ų69.428%0.28338%0.384SS..Hα-helixtrans-58.2-24.7174-164.276.6000113.4L42 G52 Y59 P104L42-L56 HydrophobicContact CD1-CD1 4.4Å; G52-L56 PolarHBondContact O-N 3.04Å; L56-Y59 WeakPolarHBondContact O-CD1 3.36Å; L56-Y59 VanDerWaalsContact O-CE1 3.32Å; L56-Y59 WeakPolarHBondContact O-CE1 3.31Å; L56-P104 HydrophobicContact CD1-CB 3.7Å; L56-P104 HydrophobicContact CD1-CG 3.8Å
57S79.9Confident80.9Confident55 Ų5570.4 Ų70.439%0.38539%0.391SS..Hα-helixtrans-100.5-32.3177.247.60000113.5C53 R54 D55 F61C53-S57 PolarHBondContact O-N 3Å; C53-S57 PolarHBondContact O-OG 3.11Å; R54-S57 PolarHBondContact O-N 2.97Å; R54-S57 PolarHBondContact O-OG 3.26Å; D55-S57 PolarHBondContact O-N 3.48Å; D55-S57 VanDerWaalsContact O-N 3.14Å; S57-F61 WeakPolarHBondContact O-CD2 3.25Å; S57-F61 WeakPolarHBondContact O-CE2 3.35Å
58L86.7Confident81.8Confident35 Ų3566.8 Ų66.818%0.18335%0.352CS..Hα-helixtrans-87.7-20.6-177.7-66.5-175.8000114.8M33 A40 R54 D55 A60 F61 S62M33-L58 HydrophobicContact CE-CB 4.04Å; M33-L58 HydrophobicContact CE-CD1 4.18Å; M33-L58 HydrophobicContact CE-CD2 4.48Å; M33-L58 HydrophobicContact CE-CG 4.47Å; M33-L58 HydrophobicContact SD-CD1 4.28Å; M33-L58 HydrophobicContact SD-CD2 4.13Å; A40-L58 HydrophobicContact CB-CB 3.77Å; R54-L58 HydrophobicContact CG-CD1 3.64Å; R54-L58 HydrophobicContact CG-CG 4.23Å; R54-L58 WeakPolarHBondContact O-CB 3.17Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.22Å; D55-L58 PolarHBondContact O-N 3.38Å; L58-A60 PolarHBondContact O-N 2.91Å; L58-A60 VanDerWaalsContact O-N 3.17Å; L58-F61 PolarHBondContact O-N 3.39Å; L58-S62 PolarHBondContact O-N 3.48Å; L58-S62 VanDerWaalsContact O-N 3.15Å
59Y88.8Confident83.1Confident2 Ų266.5 Ų66.51%0.00834%0.344CS..THydrogen-bonded Turntrans-60.1-30.3-175.885.9-81.9000114.2A40 L42 D55 L56 F61 S62 I100 P104 V121 C122 G123A40-Y59 WeakPolarHBondContact O-CA 3.46Å; L42-Y59 HydrophobicContact CD1-CD1 3.4Å; L42-Y59 HydrophobicContact CD1-CD2 3.96Å; L42-Y59 HydrophobicContact CD1-CE1 3.8Å; L42-Y59 HydrophobicContact CD1-CE2 4.34Å; L42-Y59 HydrophobicContact CD1-CG 3.48Å; L42-Y59 VanDerWaalsContact CD1-CG 3.48Å; L42-Y59 HydrophobicContact CG-CD1 4.02Å; L42-Y59 HydrophobicContact CG-CD2 4.38Å; L42-Y59 HydrophobicContact CG-CG 3.75Å; D55-Y59 WeakPolarHBondContact O-CB 3.43Å; D55-Y59 PolarHBondContact O-N 2.92Å; L56-Y59 WeakPolarHBondContact O-CD1 3.36Å; L56-Y59 VanDerWaalsContact O-CE1 3.32Å; L56-Y59 WeakPolarHBondContact O-CE1 3.31Å; Y59-F61 PolarHBondContact O-N 3.43Å; Y59-S62 PolarHBondContact O-OG 3.49Å; Y59-I100 HydrophobicContact CD1-CG2 4.42Å; Y59-I100 HydrophobicContact CE1-CG2 3.7Å; Y59-I100 PolarHBondContact OH-O 3.1Å; Y59-I100 VanDerWaalsContact OH-O 3.12Å; Y59-P104 HydrophobicContact CD1-CG 4.38Å; Y59-P104 HydrophobicContact CE1-CG 3.56Å; Y59-P104 WeakPolarHBondContact OH-CD 3.32Å; Y59-V121 HydrophobicContact CD2-CG1 3.81Å; Y59-V121 HydrophobicContact CE2-CG1 3.77Å; Y59-C122 CarbonylContact O-C 3.36Å; Y59-G123 PolarHBondContact O-N 2.83Å
60A88.6Confident84Confident0 Ų063.3 Ų63.30%033%0.332CS..THydrogen-bonded Turntrans-73.5-13.4178.900000112.6L58 I100 G123 S124L58-A60 PolarHBondContact O-N 2.91Å; L58-A60 VanDerWaalsContact O-N 3.17Å; A60-I100 HydrophobicContact CB-CB 4.4Å; A60-I100 HydrophobicContact CB-CD1 3.78Å; A60-I100 HydrophobicContact CB-CG1 3.61Å; A60-I100 HydrophobicContact CB-CG2 3.96Å; A60-G123 CarbonylContact O-C 3.38Å; A60-S124 VanDerWaalsContact O-CA 3.26Å; A60-S124 WeakPolarHBondContact O-CA 3.23Å; A60-S124 WeakPolarHBondContact O-CB 3.5Å; A60-S124 PolarHBondContact O-N 3.25Å
61F88.7Confident85.3Confident15 Ų1553.9 Ų53.97%0.06630%0.295CS..THydrogen-bonded Turntrans-109.3-14.4-179.1-57.2-74.6000113.1L26 L29 M30 M33 S57 L58 Y59 I100L26-F61 HydrophobicContact CB-CE1 4.48Å; L26-F61 HydrophobicContact CD2-CE1 3.57Å; L26-F61 HydrophobicContact CD2-CZ 3.71Å; L29-F61 HydrophobicContact CD2-CB 3.67Å; L29-F61 HydrophobicContact CD2-CD1 3.78Å; L29-F61 HydrophobicContact CD2-CD2 3.72Å; L29-F61 HydrophobicContact CD2-CE1 4.32Å; L29-F61 HydrophobicContact CD2-CE2 4.26Å; L29-F61 HydrophobicContact CD2-CG 3.44Å; L29-F61 VanDerWaalsContact CD2-CG 3.44Å; M30-F61 HydrophobicContact CB-CD1 4.42Å; M33-F61 HydrophobicContact CG-CB 4Å; S57-F61 WeakPolarHBondContact O-CD2 3.25Å; S57-F61 WeakPolarHBondContact O-CE2 3.35Å; L58-F61 PolarHBondContact O-N 3.39Å; Y59-F61 PolarHBondContact O-N 3.43Å; F61-I100 HydrophobicContact CE2-CD1 3.84Å; F61-I100 HydrophobicContact CZ-CD1 3.72Å
62S87.4Confident86.3Confident7 Ų751.3 Ų51.35%0.04928%0.278CS..  trans-75.2144.2168.370.60000110.3A40 L58 Y59 G123A40-S62 VanDerWaalsContact O-CB 3.29Å; A40-S62 WeakPolarHBondContact O-CB 3.26Å; A40-S62 PolarHBondContact O-OG 2.92Å; L58-S62 PolarHBondContact O-N 3.48Å; L58-S62 VanDerWaalsContact O-N 3.15Å; Y59-S62 PolarHBondContact O-OG 3.49Å; S62-G123 VanDerWaalsContact O-CA 3.23Å; S62-G123 WeakPolarHBondContact O-CA 3.41Å; S62-G123 PolarHBondContact O-N 2.92Å; S62-G123 VanDerWaalsContact O-N 3.09Å
63H87.4Confident87Confident16 Ų1650.8 Ų50.87%0.07427%0.27CS..  trans-138.7137.7171.1-78.1-82.6000107.3W34 S68 L69 N72 G123W34-H63 HydrophobicContact CE3-CB 4.28Å; W34-H63 VanDerWaalsContact CE3-O 3.29Å; W34-H63 VanDerWaalsContact CZ3-O 3.26Å; W34-H63 WeakPolarHBondContact CZ3-O 3.29Å; H63-S68 PolarHBondContact ND1-OG 3.47Å; H63-L69 HydrophobicContact CB-CB 3.93Å; H63-L69 HydrophobicContact CB-CD1 4.03Å; H63-N72 PolarHBondContact CE1-ND2 3.33Å; H63-N72 VanDerWaalsContact CE1-ND2 3.26Å; H63-G123 WeakPolarHBondContact CE1-CA 3.18Å
64E85.7Confident87.8Confident89 Ų8949.2 Ų49.242%0.41625%0.253SS..SBendtrans-96.6-26.8-178.9-58.5-171.4-130.100111.5R120 C122E64-R120 VanDerWaalsContact CD-CZ 3.48Å; E64-R120 VanDerWaalsContact CD-NH1 3.32Å; E64-R120 IonicContact OE1-CZ 3.09Å; E64-R120 IonicContact OE1-NE 3.78Å; E64-R120 IonicContact OE1-NH1 3.19Å; E64-R120 PolarHBondContact OE1-NH1 3.15Å; E64-R120 IonicContact OE1-NH2 2.68Å; E64-R120 PolarHBondContact OE1-NH2 2.87Å; E64-R120 IonicContact OE2-CZ 3.12Å; E64-R120 IonicContact OE2-NH1 2.67Å; E64-R120 PolarHBondContact OE2-NH1 3.02Å; E64-R120 IonicContact OE2-NH2 2.73Å; E64-R120 PolarHBondContact OE2-NH2 3.48Å; E64-C122 PolarHBondContact OE1-SG 3.28Å
65E87.4Confident88.3Confident87 Ų8742.8 Ų42.841%0.40723%0.23SC..SBendtrans-116.2131.2-179.4-60.5173.1-138.800110.9P67 S68 L69 S167E65-P67 HydrophobicContact CB-CG 4.02Å; E65-S68 WeakPolarHBondContact O-CA 3.38Å; E65-S68 WeakPolarHBondContact O-CB 3.24Å; E65-S68 PolarHBondContact O-N 3.45Å; E65-S68 PolarHBondContact O-OG 2.84Å; E65-L69 PolarHBondContact O-N 3.31Å; E65-S167 PolarHBondContact OE1-OG 3.45Å
66L89.3Confident88.8Confident105 Ų10540.7 Ų40.755%0.5522%0.219SC..Hα-helixtrans-52.2-43.2172-175.964.5000114.3W34 S68 L69 L70W34-L66 HydrophobicContact CH2-CB 4.12Å; W34-L66 HydrophobicContact CZ2-CB 4.09Å; W34-L66 HydrophobicContact CZ2-CD1 4.01Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.02Å; L66-L69 HydrophobicContact CD1-CD2 4.23Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.33Å
67P89.8Confident89.3Confident88 Ų8842.6 Ų42.657%0.57123%0.229SC*.Hα-helixtrans-61.5-37173.522.5-34.6000112.9E65 L70 Y71E65-P67 HydrophobicContact CB-CG 4.02Å; P67-L70 PolarHBondContact O-N 3.11Å; P67-Y71 WeakPolarHBondContact O-CB 3.35Å; P67-Y71 PolarHBondContact O-N 3.07Å
68S88.9Confident89.7Confident12 Ų1244.3 Ų44.38%0.08423%0.233CC..Hα-helixtrans-64.9-41.4175.684.20000111.7H63 E65 L66 N72H63-S68 PolarHBondContact ND1-OG 3.47Å; E65-S68 WeakPolarHBondContact O-CA 3.38Å; E65-S68 WeakPolarHBondContact O-CB 3.24Å; E65-S68 PolarHBondContact O-N 3.45Å; E65-S68 PolarHBondContact O-OG 2.84Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.02Å; S68-N72 WeakPolarHBondContact O-CB 3.28Å; S68-N72 PolarHBondContact O-N 3.42Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 2.93Å
69L91.3Very high89.8Confident21 Ų2144 Ų4411%0.1123%0.232CC..Hα-helixtrans-62.6-48.9175.7-179.776.1000110.6M30 W34 H63 E65 L66 N72 A73M30-L69 HydrophobicContact CE-CD1 3.87Å; M30-L69 HydrophobicContact CG-CD1 3.71Å; M30-L69 HydrophobicContact SD-CD1 4.19Å; W34-L69 HydrophobicContact CB-CD1 4.28Å; W34-L69 HydrophobicContact CB-CD2 4.04Å; W34-L69 HydrophobicContact CD2-CD2 3.64Å; W34-L69 HydrophobicContact CE3-CD2 4.17Å; W34-L69 HydrophobicContact CG-CD2 3.55Å; H63-L69 HydrophobicContact CB-CB 3.93Å; H63-L69 HydrophobicContact CB-CD1 4.03Å; E65-L69 PolarHBondContact O-N 3.31Å; L66-L69 HydrophobicContact CD1-CD2 4.23Å; L66-L69 PolarHBondContact O-N 2.87Å; L69-N72 PolarHBondContact O-N 2.87Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.99Å
70L92.1Very high89.9Confident101 Ų10143.9 Ų43.953%0.52923%0.231SC..Hα-helixtrans-64.2-42.1-178.1-17761.4000111.8L66 P67 A73 I74L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.33Å; P67-L70 PolarHBondContact O-N 3.11Å; L70-A73 PolarHBondContact O-N 3.03Å; L70-I74 HydrophobicContact CD1-CD1 3.95Å; L70-I74 HydrophobicContact CD1-CG1 4.27Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.69Å
71Y91.6Very high89.9Confident33 Ų3344.2 Ų44.213%0.12923%0.234CC..Hα-helixtrans-58.6-49.3174176.1-102.9000111.5P67 A73 I74 L75 L160 N161 L164 L165P67-Y71 WeakPolarHBondContact O-CB 3.35Å; P67-Y71 PolarHBondContact O-N 3.07Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 2.76Å; Y71-I74 PolarHBondContact O-N 3.49Å; Y71-L75 HydrophobicContact CE1-CD2 3.97Å; Y71-L75 VanDerWaalsContact O-CB 3.28Å; Y71-L75 WeakPolarHBondContact O-CB 3.27Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y71-L160 HydrophobicContact CE2-CD2 4.38Å; Y71-N161 WeakPolarHBondContact CE1-OD1 3.43Å; Y71-N161 PolarHBondContact OH-OD1 3.26Å; Y71-L164 HydrophobicContact CD2-CD2 3.68Å; Y71-L164 HydrophobicContact CE2-CD2 3.57Å; Y71-L165 HydrophobicContact CD1-CD1 3.51Å; Y71-L165 HydrophobicContact CD1-CD2 4.34Å; Y71-L165 HydrophobicContact CD1-CG 4.5Å; Y71-L165 HydrophobicContact CE1-CD1 3.52Å; Y71-L165 HydrophobicContact CG-CD1 4.14Å
72N91.3Very high89.8Confident1 Ų143.8 Ų43.81%0.00523%0.232CC..Hα-helixtrans-69.8-30.7-179.2-76.5-75.4000112.8M30 H63 S68 L69 L76 S125 Q128M30-N72 HydrophobicContact SD-CB 4.19Å; H63-N72 PolarHBondContact CE1-ND2 3.33Å; H63-N72 VanDerWaalsContact CE1-ND2 3.26Å; S68-N72 WeakPolarHBondContact O-CB 3.28Å; S68-N72 PolarHBondContact O-N 3.42Å; S68-N72 VanDerWaalsContact O-N 3.11Å; S68-N72 PolarHBondContact O-ND2 2.93Å; L69-N72 PolarHBondContact O-N 2.87Å; N72-L76 WeakPolarHBondContact O-CB 3.16Å; N72-L76 PolarHBondContact O-N 3.04Å; N72-S125 WeakPolarHBondContact OD1-CA 3.26Å; N72-S125 VanDerWaalsContact OD1-CB 3.27Å; N72-S125 WeakPolarHBondContact OD1-CB 3.47Å; N72-S125 PolarHBondContact OD1-N 2.83Å; N72-Q128 PolarHBondContact O-NE2 3.25Å; N72-Q128 PolarHBondContact O-OE1 3.45Å; N72-Q128 PolarHBondContact OD1-NE2 3.06Å
73A92.9Very high89.9Confident20 Ų2043.7 Ų43.717%0.16523%0.231CC..Hα-helixtrans-66.7-46.9171.300000111.8L27 M30 L69 L70 Y71 L76 L77L27-A73 HydrophobicContact CD2-CB 4.17Å; M30-A73 HydrophobicContact CE-CB 3.69Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.99Å; L70-A73 PolarHBondContact O-N 3.03Å; Y71-A73 VanDerWaalsContact C-N 3.34Å; Y71-A73 PolarHBondContact O-N 2.76Å; A73-L76 PolarHBondContact O-N 3.45Å; A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.31Å; A73-L77 PolarHBondContact O-N 2.67Å
74I92.1Very high90Very high82 Ų8243 Ų4342%0.42123%0.228SC..Hα-helixtrans-63.3-45.4177.3-70.7167.9000110.7L70 Y71 L76 L77 L78L70-I74 HydrophobicContact CD1-CD1 3.95Å; L70-I74 HydrophobicContact CD1-CG1 4.27Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.69Å; Y71-I74 PolarHBondContact O-N 3.49Å; I74-L76 PolarHBondContact O-N 3.2Å; I74-L77 PolarHBondContact O-N 3.19Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CB 3.07Å; I74-L78 VanDerWaalsContact O-CG 3.25Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.95Å
75L90.9Very high90Very high19 Ų1941.6 Ų41.610%0.09922%0.219CC..Hα-helixtrans-64.2-40.3180-172.364.7000111.6Y71 L78 L79 Q128 L157Y71-L75 HydrophobicContact CE1-CD2 3.97Å; Y71-L75 VanDerWaalsContact O-CB 3.28Å; Y71-L75 WeakPolarHBondContact O-CB 3.27Å; Y71-L75 PolarHBondContact O-N 3.35Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-L79 HydrophobicContact CD1-CD1 3.53Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CG-CD1 3.98Å; L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 2.79Å; L75-Q128 VanDerWaalsContact CB-OE1 3.24Å; L75-Q128 HydrophobicContact CD2-CB 4.08Å; L75-L157 HydrophobicContact CD1-CD1 4.39Å
76L92.4Very high89.9Confident12 Ų1239.7 Ų39.76%0.06321%0.208CC..Hα-helixtrans-69-39.8174.8-178.854.6000112.5L26 L27 N72 A73 I74 L78 G80 P81 F92 Q128L26-L76 HydrophobicContact CB-CD2 3.81Å; L26-L76 HydrophobicContact CD1-CD1 4.48Å; L27-L76 HydrophobicContact CD2-CB 4.19Å; L27-L76 HydrophobicContact CD2-CD2 3.75Å; L27-L76 HydrophobicContact CD2-CG 4.05Å; L27-L76 HydrophobicContact CG-CD2 3.67Å; L27-L76 HydrophobicContact CG-CG 3.98Å; N72-L76 WeakPolarHBondContact O-CB 3.16Å; N72-L76 PolarHBondContact O-N 3.04Å; A73-L76 PolarHBondContact O-N 3.45Å; I74-L76 PolarHBondContact O-N 3.2Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.06Å; L76-G80 PolarHBondContact O-N 3.36Å; L76-P81 WeakPolarHBondContact O-CD 3.17Å; L76-F92 HydrophobicContact CD1-CZ 4.17Å; L76-Q128 VanDerWaalsContact N-OE1 3.1Å
77L91.6Very high89.8Confident95 Ų9534.8 Ų34.850%0.49718%0.182SC..Hα-helixtrans-63.7-34.9173.1-78.6166000112.7L27 A73 I74 P81L27-L77 HydrophobicContact CD1-CD2 3.54Å; L27-L77 HydrophobicContact CD1-CG 3.84Å; L27-L77 HydrophobicContact CD2-CG 4.28Å; A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.31Å; A73-L77 PolarHBondContact O-N 2.67Å; I74-L77 PolarHBondContact O-N 3.19Å; L77-P81 VanDerWaalsContact O-CD 3.24Å; L77-P81 WeakPolarHBondContact O-CD 3.43Å; L77-P81 WeakPolarHBondContact O-CG 3.5Å
78L88.8Confident89.7Confident90 Ų9030.6 Ų30.647%0.47116%0.155SC..Hα-helixtrans-82.1-42.6-178.7-72.8171.6000113.4W9 I74 L75 L76W9-L78 PolarHBondContact NE1-O 3.44Å; W9-L78 VanDerWaalsContact NE1-O 3.1Å; I74-L78 HydrophobicContact CG2-CD1 3.7Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CB 3.07Å; I74-L78 VanDerWaalsContact O-CG 3.25Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 2.85Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å
79L89.3Confident89.7Confident29 Ų2930 Ų3015%0.15215%0.151CC..Hα-helixtrans-95.7-40-174.5-63.7-177.9000113.2L75 C82 Q83 F132L75-L79 HydrophobicContact CD1-CD1 3.53Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CG-CD1 3.98Å; L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 2.79Å; L79-C82 WeakPolarHBondContact O-CB 3.38Å; L79-C82 PolarHBondContact O-N 3.23Å; L79-C82 VanDerWaalsContact O-N 3.08Å; L79-Q83 WeakPolarHBondContact O-CG 3.39Å; L79-Q83 PolarHBondContact O-N 2.95Å; L79-F132 HydrophobicContact CD1-CB 4.15Å; L79-F132 HydrophobicContact CD1-CD2 3.55Å; L79-F132 HydrophobicContact CD1-CE2 4.1Å; L79-F132 HydrophobicContact CD1-CG 4.01Å; L79-F132 HydrophobicContact CD2-CD2 3.77Å; L79-F132 HydrophobicContact CD2-CE2 3.66Å; L79-F132 HydrophobicContact CG-CD2 4.29Å
80G90Very high89.6Confident0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-54.3-51.7-173.700000113.1T23 L76 C82 Q83 E84T23-G80 VanDerWaalsContact CG2-CA 3.45Å; L76-G80 VanDerWaalsContact O-CA 3.23Å; L76-G80 WeakPolarHBondContact O-CA 3.06Å; L76-G80 PolarHBondContact O-N 3.36Å; G80-C82 PolarHBondContact O-N 2.93Å; G80-Q83 WeakPolarHBondContact O-CA 3.37Å; G80-Q83 WeakPolarHBondContact O-CB 3.38Å; G80-Q83 PolarHBondContact O-N 3.48Å; G80-E84 WeakPolarHBondContact O-CB 3.36Å; G80-E84 PolarHBondContact O-N 2.87Å
81P88.7Confident89.6Confident7 Ų724.7 Ų24.75%0.04512%0.123CC..Hα-helixtrans-60.5-31.3-179.9-29.338.1000112.4W9 F20 T23 L76 L77 R85W9-P81 HydrophobicContact CH2-CB 3.5Å; W9-P81 HydrophobicContact CH2-CG 3.75Å; W9-P81 HydrophobicContact CZ2-CB 4Å; W9-P81 HydrophobicContact CZ2-CG 4.06Å; W9-P81 HydrophobicContact CZ3-CB 3.97Å; F20-P81 HydrophobicContact CD1-CB 3.87Å; F20-P81 HydrophobicContact CD2-CB 4.09Å; F20-P81 HydrophobicContact CD2-CG 4.46Å; F20-P81 HydrophobicContact CE1-CB 3.87Å; F20-P81 HydrophobicContact CE2-CB 4.1Å; F20-P81 HydrophobicContact CG-CB 3.99Å; F20-P81 HydrophobicContact CG-CG 4.44Å; F20-P81 HydrophobicContact CZ-CB 3.99Å; T23-P81 HydrophobicContact CG2-CG 4.29Å; L76-P81 WeakPolarHBondContact O-CD 3.17Å; L77-P81 VanDerWaalsContact O-CD 3.24Å; L77-P81 WeakPolarHBondContact O-CD 3.43Å; L77-P81 WeakPolarHBondContact O-CG 3.5Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å; P81-R85 PolarHBondContact O-N 3.44Å; P81-R85 VanDerWaalsContact O-N 3.1Å
82C86.1Confident89.6Confident6 Ų623.1 Ų23.14%0.04112%0.117CC..Hα-helixtrans-73.4-32.9173.7-68.40000113.1F12 L79 G80 R86F12-C82 HydrophobicContact CB-CB 4.28Å; L79-C82 WeakPolarHBondContact O-CB 3.38Å; L79-C82 PolarHBondContact O-N 3.23Å; L79-C82 VanDerWaalsContact O-N 3.08Å; G80-C82 PolarHBondContact O-N 2.93Å; C82-R86 WeakPolarHBondContact O-CB 3.4Å; C82-R86 PolarHBondContact O-N 3.2Å
83Q90.1Very high89.7Confident5 Ų524.3 Ų24.32%0.02312%0.123CC..Hα-helixtrans-75.4-51.2178.4-70.8171.91.300111.3L79 G80 R85 R86 W87 F92 Q135L79-Q83 WeakPolarHBondContact O-CG 3.39Å; L79-Q83 PolarHBondContact O-N 2.95Å; G80-Q83 WeakPolarHBondContact O-CA 3.37Å; G80-Q83 WeakPolarHBondContact O-CB 3.38Å; G80-Q83 PolarHBondContact O-N 3.48Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.3Å; Q83-R86 PolarHBondContact O-N 3.48Å; Q83-W87 HydrophobicContact CB-CE3 3.96Å; Q83-W87 HydrophobicContact CB-CH2 4.39Å; Q83-W87 HydrophobicContact CB-CZ3 3.77Å; Q83-W87 HydrophobicContact CG-CH2 4.19Å; Q83-W87 HydrophobicContact CG-CZ3 4.03Å; Q83-W87 PolarHBondContact O-N 2.89Å; Q83-F92 HydrophobicContact CB-CD2 3.79Å; Q83-F92 HydrophobicContact CB-CE2 3.92Å; Q83-Q135 HydrophobicContact CG-CB 4.47Å; Q83-Q135 HydrophobicContact CG-CG 4.3Å; Q83-Q135 VanDerWaalsContact CG-OE1 3.25Å
84E90.5Very high89.7Confident0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-56.4-45.2173.5177.6160.3-15800111.4F20 L21 G22 T23 G80 R86 W87 G88 T89 F92 V209F20-E84 VanDerWaalsContact CA-OE2 3.32Å; F20-E84 WeakPolarHBondContact CA-OE2 3.41Å; L21-E84 PolarHBondContact N-OE1 3.37Å; G22-E84 PolarHBondContact N-OE1 3Å; G22-E84 PolarHBondContact N-OE2 3.48Å; T23-E84 HydrophobicContact CG2-CB 4.42Å; T23-E84 WeakPolarHBondContact CG2-OE2 3.47Å; T23-E84 PolarHBondContact N-OE2 2.82Å; G80-E84 WeakPolarHBondContact O-CB 3.36Å; G80-E84 PolarHBondContact O-N 2.87Å; E84-R86 PolarHBondContact O-N 2.91Å; E84-W87 PolarHBondContact O-N 3.47Å; E84-G88 CarbonylContact O-C 3.6Å; E84-G88 VanDerWaalsContact O-CA 3.29Å; E84-G88 WeakPolarHBondContact O-CA 3.44Å; E84-G88 PolarHBondContact O-N 3.31Å; E84-T89 VanDerWaalsContact OE1-CB 3.26Å; E84-T89 WeakPolarHBondContact OE1-CB 3.23Å; E84-T89 VanDerWaalsContact OE1-CG2 3.27Å; E84-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E84-T89 PolarHBondContact OE1-OG1 3.12Å; E84-F92 HydrophobicContact CB-CB 4.28Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.06Å; E84-F92 HydrophobicContact CG-CD1 4.48Å; E84-V209 HydrophobicContact CG-CB 4.24Å; E84-V209 HydrophobicContact CG-CG2 4.16Å
85R85.3Confident89.8Confident61 Ų6120.8 Ų20.823%0.2311%0.106CC..Hα-helixtrans-66.9-18.1176.3-177.9169.9-107.1-161.8-1.3115S14 R16 F20 P81 Q83S14-R85 WeakPolarHBondContact O-CD 3.11Å; S14-R85 WeakPolarHBondContact O-CG 3.45Å; S14-R85 PolarHBondContact O-NE 3.05Å; R16-R85 HydrophobicContact CB-CG 4.45Å; R16-R85 PolarHBondContact O-NE 3.21Å; R16-R85 PolarHBondContact O-NH2 3.17Å; F20-R85 HydrophobicContact CE1-CB 4.22Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å; P81-R85 PolarHBondContact O-N 3.44Å; P81-R85 VanDerWaalsContact O-N 3.1Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.3Å
86R84.3Confident89.9Confident46 Ų4620 Ų2017%0.17410%0.102CC..Hα-helixtrans-91-44.2174.6-178.7-176.2-70-162.2-1.5111.9F12 C82 Q83 E84 Q135 Q138F12-R86 PolarHBondContact O-NE 3.4Å; F12-R86 PolarHBondContact O-NH2 3.2Å; C82-R86 WeakPolarHBondContact O-CB 3.4Å; C82-R86 PolarHBondContact O-N 3.2Å; Q83-R86 PolarHBondContact O-N 3.48Å; E84-R86 PolarHBondContact O-N 2.91Å; R86-Q135 PolarHBondContact NH1-O 3.48Å; R86-Q138 VanDerWaalsContact CD-OE1 3.29Å
87W87.1Confident90Very high2 Ų224.1 Ų24.11%0.00812%0.124CC..Hα-helixtrans-95.3-25.1-171.3-59.7-34.4000113.5Q83 E84 A91 F92 L95 L131 A134 Q135 I188 Q192Q83-W87 HydrophobicContact CB-CE3 3.96Å; Q83-W87 HydrophobicContact CB-CH2 4.39Å; Q83-W87 HydrophobicContact CB-CZ3 3.77Å; Q83-W87 HydrophobicContact CG-CH2 4.19Å; Q83-W87 HydrophobicContact CG-CZ3 4.03Å; Q83-W87 PolarHBondContact O-N 2.89Å; E84-W87 PolarHBondContact O-N 3.47Å; W87-A91 HydrophobicContact CB-CB 4.01Å; W87-F92 HydrophobicContact CE3-CB 4.36Å; W87-F92 HydrophobicContact CE3-CD2 4.13Å; W87-F92 HydrophobicContact CZ3-CD2 4.22Å; W87-L95 HydrophobicContact CD2-CD1 3.83Å; W87-L95 HydrophobicContact CE3-CD1 3.61Å; W87-L95 HydrophobicContact CG-CD1 4.43Å; W87-L95 HydrophobicContact CH2-CD1 4.26Å; W87-L95 HydrophobicContact CZ2-CD1 4.47Å; W87-L95 HydrophobicContact CZ3-CD1 3.84Å; W87-L131 HydrophobicContact CH2-CB 4.19Å; W87-L131 HydrophobicContact CH2-CD2 4.43Å; W87-L131 WeakPolarHBondContact CH2-O 3.31Å; W87-L131 HydrophobicContact CZ3-CB 4.24Å; W87-L131 HydrophobicContact CZ3-CD2 4.07Å; W87-A134 HydrophobicContact CH2-CB 4.37Å; W87-A134 HydrophobicContact CZ2-CB 4.24Å; W87-Q135 HydrophobicContact CH2-CB 4.3Å; W87-Q135 HydrophobicContact CZ2-CB 4.1Å; W87-I188 HydrophobicContact CG-CG2 4.2Å; W87-I188 HydrophobicContact CZ2-CD1 4.48Å; W87-Q192 WeakPolarHBondContact O-CG 3.45Å; W87-Q192 PolarHBondContact O-NE2 3.24Å
88G88.1Confident90.1Very high0 Ų022 Ų220%011%0.113CC..  trans90.2149.8-163.200000110.8E84 V90 A91 F92 V209E84-G88 CarbonylContact O-C 3.6Å; E84-G88 VanDerWaalsContact O-CA 3.29Å; E84-G88 WeakPolarHBondContact O-CA 3.44Å; E84-G88 PolarHBondContact O-N 3.31Å; G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 3.18Å; G88-A91 PolarHBondContact O-N 2.85Å; G88-F92 WeakPolarHBondContact O-CB 3.47Å; G88-F92 PolarHBondContact O-N 3.22Å; G88-V209 WeakPolarHBondContact CA-O 3.49Å
89T89.4Confident90.3Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-53.9-46-176-59.10000112.4L21 E84 F92 L93 V209L21-T89 HydrophobicContact CB-CG2 4.24Å; E84-T89 VanDerWaalsContact OE1-CB 3.26Å; E84-T89 WeakPolarHBondContact OE1-CB 3.23Å; E84-T89 VanDerWaalsContact OE1-CG2 3.27Å; E84-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E84-T89 PolarHBondContact OE1-OG1 3.12Å; T89-F92 PolarHBondContact O-N 3.44Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å; T89-V209 PolarHBondContact N-O 3.04Å; T89-V209 PolarHBondContact OG1-N 3.04Å; T89-V209 PolarHBondContact OG1-O 3.19Å
90V89.4Confident90.5Very high11 Ų1116.7 Ų16.77%0.0679%0.085CC..Hα-helixtrans-63.7-47.5-176.8-169.70000111.5G88 A94 E195 F200G88-V90 VanDerWaalsContact C-N 3.32Å; G88-V90 PolarHBondContact O-N 3.18Å; V90-A94 WeakPolarHBondContact O-CB 3.47Å; V90-A94 PolarHBondContact O-N 3.05Å; V90-E195 HydrophobicContact CB-CB 4.21Å; V90-E195 HydrophobicContact CB-CG 4.46Å; V90-E195 HydrophobicContact CG2-CB 3.87Å; V90-E195 HydrophobicContact CG2-CG 3.63Å; V90-F200 HydrophobicContact CB-CE2 4.41Å; V90-F200 HydrophobicContact CG1-CE2 4.36Å; V90-F200 HydrophobicContact CG2-CD2 3.43Å; V90-F200 VanDerWaalsContact CG2-CD2 3.43Å; V90-F200 HydrophobicContact CG2-CE2 3.57Å; V90-F200 HydrophobicContact CG2-CG 4.3Å
91A91.1Very high90.6Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-69.2-35.5179.900000112.2W87 G88 L95 L191 Q192W87-A91 HydrophobicContact CB-CB 4.01Å; G88-A91 PolarHBondContact O-N 2.85Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CD1 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.35Å; A91-L191 HydrophobicContact CB-CB 4.13Å; A91-Q192 HydrophobicContact CB-CG 3.78Å
92F93.1Very high90.8Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-64.1-48.5174.2169.4-108.5000112.3T23 L26 L76 Q83 E84 W87 G88 T89 L95 S96 L131T23-F92 HydrophobicContact CG2-CE1 3.86Å; T23-F92 HydrophobicContact CG2-CZ 3.98Å; L26-F92 HydrophobicContact CD1-CE1 3.61Å; L26-F92 HydrophobicContact CD1-CZ 3.69Å; L76-F92 HydrophobicContact CD1-CZ 4.17Å; Q83-F92 HydrophobicContact CB-CD2 3.79Å; Q83-F92 HydrophobicContact CB-CE2 3.92Å; E84-F92 HydrophobicContact CB-CB 4.28Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.06Å; E84-F92 HydrophobicContact CG-CD1 4.48Å; W87-F92 HydrophobicContact CE3-CB 4.36Å; W87-F92 HydrophobicContact CE3-CD2 4.13Å; W87-F92 HydrophobicContact CZ3-CD2 4.22Å; G88-F92 WeakPolarHBondContact O-CB 3.47Å; G88-F92 PolarHBondContact O-N 3.22Å; T89-F92 PolarHBondContact O-N 3.44Å; F92-L95 PolarHBondContact O-N 3.47Å; F92-S96 WeakPolarHBondContact O-CB 3.28Å; F92-S96 PolarHBondContact O-N 3.36Å; F92-S96 PolarHBondContact O-OG 2.87Å; F92-L131 HydrophobicContact CD2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD1 3.97Å
93L93.2Very high91.1Very high26 Ų2621.3 Ų21.314%0.13612%0.115CC..Hα-helixtrans-64.7-42.4175.9-72.1174.6000111.8F25 L26 T89 S96 L97F25-L93 HydrophobicContact CD1-CD2 4.1Å; L26-L93 HydrophobicContact CD1-CD2 4.15Å; L26-L93 HydrophobicContact CD2-CD2 4.08Å; L26-L93 HydrophobicContact CG-CD2 3.93Å; T89-L93 HydrophobicContact CG2-CD1 4Å; T89-L93 WeakPolarHBondContact O-CG 3.34Å; T89-L93 PolarHBondContact O-N 2.96Å; L93-S96 WeakPolarHBondContact O-CB 3.3Å; L93-S96 PolarHBondContact O-N 3.11Å; L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å
94A92.3Very high91.1Very high27 Ų2721.1 Ų21.122%0.22311%0.114CC..Hα-helixtrans-63.2-42.3177.700000112.6V90 S96 L98 L191V90-A94 WeakPolarHBondContact O-CB 3.47Å; V90-A94 PolarHBondContact O-N 3.05Å; A94-S96 VanDerWaalsContact C-N 3.33Å; A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.16Å; A94-L191 HydrophobicContact CB-CD1 4.24Å; A94-L191 HydrophobicContact CB-CD2 4.22Å
95L93.9Very high91Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-65.2-36173.5-72.5166.6000112.2W87 A91 F92 S99 L131 Y183 F187 I188 L191W87-L95 HydrophobicContact CD2-CD1 3.83Å; W87-L95 HydrophobicContact CE3-CD1 3.61Å; W87-L95 HydrophobicContact CG-CD1 4.43Å; W87-L95 HydrophobicContact CH2-CD1 4.26Å; W87-L95 HydrophobicContact CZ2-CD1 4.47Å; W87-L95 HydrophobicContact CZ3-CD1 3.84Å; A91-L95 WeakPolarHBondContact O-CB 3.37Å; A91-L95 WeakPolarHBondContact O-CD1 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.35Å; F92-L95 PolarHBondContact O-N 3.47Å; L95-S99 WeakPolarHBondContact O-CB 3.35Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.28Å; L95-L131 HydrophobicContact CB-CD2 3.59Å; L95-Y183 HydrophobicContact CD2-CD1 4.1Å; L95-Y183 HydrophobicContact CD2-CD2 3.71Å; L95-Y183 HydrophobicContact CD2-CE1 4.19Å; L95-Y183 HydrophobicContact CD2-CE2 3.8Å; L95-Y183 HydrophobicContact CD2-CG 3.87Å; L95-F187 HydrophobicContact CD2-CE1 4.21Å; L95-I188 HydrophobicContact CD1-CD1 3.9Å; L95-I188 HydrophobicContact CD1-CG1 3.95Å; L95-I188 HydrophobicContact CD1-CG2 4.49Å; L95-I188 HydrophobicContact CD2-CD1 4.4Å; L95-I188 HydrophobicContact CD2-CG1 4.06Å; L95-L191 HydrophobicContact CD2-CD1 3.53Å; L95-L191 HydrophobicContact CG-CD1 3.63Å
96S94.1Very high91.3Very high2 Ų224.3 Ų24.31%0.01414%0.138CC..Hα-helixtrans-64.3-54.3176.6-56.40000110.6F92 L93 A94 L98 S99 I100 L131F92-S96 WeakPolarHBondContact O-CB 3.28Å; F92-S96 PolarHBondContact O-N 3.36Å; F92-S96 PolarHBondContact O-OG 2.87Å; L93-S96 WeakPolarHBondContact O-CB 3.3Å; L93-S96 PolarHBondContact O-N 3.11Å; A94-S96 VanDerWaalsContact C-N 3.33Å; S96-L98 VanDerWaalsContact C-N 3.32Å; S96-L98 PolarHBondContact O-N 3.22Å; S96-S99 WeakPolarHBondContact O-CB 3.23Å; S96-S99 PolarHBondContact O-N 2.87Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-I100 VanDerWaalsContact O-CG1 3.26Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.1Å; S96-L131 WeakPolarHBondContact OG-CD1 3.38Å
97L92.8Very high91.6Very high100 Ų10022.2 Ų22.252%0.52413%0.131SC..Hα-helixtrans-60.5-40.1177.8-68.7169.6000112.2L93 I100 A101L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-I100 PolarHBondContact O-N 3.01Å; L97-A101 WeakPolarHBondContact O-CB 3Å; L97-A101 PolarHBondContact O-N 2.81Å
98L93.9Very high91.7Very high51 Ų5123.7 Ų23.727%0.26714%0.143SC..Hα-helixtrans-66.5-37.4175.9-176.365.3000112.3A94 S96 L102 Y183 F187A94-L98 WeakPolarHBondContact O-CB 3.23Å; A94-L98 PolarHBondContact O-N 3.16Å; S96-L98 VanDerWaalsContact C-N 3.32Å; S96-L98 PolarHBondContact O-N 3.22Å; L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 2.92Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 2.9Å; L98-L102 PolarHBondContact O-N 2.9Å; L98-Y183 HydrophobicContact CD2-CE1 3.74Å; L98-Y183 HydrophobicContact CG-CE1 4.38Å; L98-F187 HydrophobicContact CD2-CE1 3.6Å; L98-F187 HydrophobicContact CD2-CZ 3.51Å
99S94.1Very high91.8Very high0 Ų028.1 Ų28.10%017%0.166CC..Hα-helixtrans-64.7-46.2174-61.40000110.7L95 S96 A101 L102 L103 Y183L95-S99 WeakPolarHBondContact O-CB 3.35Å; L95-S99 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact O-OG 3.28Å; S96-S99 WeakPolarHBondContact O-CB 3.23Å; S96-S99 PolarHBondContact O-N 2.87Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.9Å; S99-L102 PolarHBondContact O-N 3.34Å; S99-L103 VanDerWaalsContact O-CB 3.28Å; S99-L103 WeakPolarHBondContact O-CB 3.37Å; S99-L103 WeakPolarHBondContact O-CG 3.48Å; S99-L103 PolarHBondContact O-N 3.08Å; S99-Y183 PolarHBondContact N-OH 3.46Å; S99-Y183 PolarHBondContact OG-OH 3.12Å; S99-Y183 VanDerWaalsContact OG-OH 3.06Å
100I93.4Very high91.8Very high6 Ų630.5 Ų30.53%0.03118%0.178CC..Hα-helixtrans-58.3-43.7177.6-67.5167000111Y59 A60 F61 S96 L97 P104 T127Y59-I100 HydrophobicContact CD1-CG2 4.42Å; Y59-I100 HydrophobicContact CE1-CG2 3.7Å; Y59-I100 PolarHBondContact OH-O 3.1Å; Y59-I100 VanDerWaalsContact OH-O 3.12Å; A60-I100 HydrophobicContact CB-CB 4.4Å; A60-I100 HydrophobicContact CB-CD1 3.78Å; A60-I100 HydrophobicContact CB-CG1 3.61Å; A60-I100 HydrophobicContact CB-CG2 3.96Å; F61-I100 HydrophobicContact CE2-CD1 3.84Å; F61-I100 HydrophobicContact CZ-CD1 3.72Å; S96-I100 VanDerWaalsContact O-CG1 3.26Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.1Å; L97-I100 PolarHBondContact O-N 3.01Å; I100-P104 WeakPolarHBondContact O-CD 3.48Å; I100-T127 HydrophobicContact CD1-CG2 4.37Å; I100-T127 HydrophobicContact CG1-CG2 3.87Å; I100-T127 WeakPolarHBondContact CG1-OG1 3.49Å
101A91.8Very high91.7Very high45 Ų4530 Ų3037%0.37218%0.175SC..Hα-helixtrans-74.3-32.7-179.700000114.2L97 S99 P105L97-A101 WeakPolarHBondContact O-CB 3Å; L97-A101 PolarHBondContact O-N 2.81Å; S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.9Å; A101-P105 WeakPolarHBondContact O-CD 3.48Å; A101-P105 WeakPolarHBondContact O-CG 3.29Å
102L92.4Very high91.5Very high66 Ų6637.9 Ų37.935%0.34621%0.21SC..Hα-helixtrans-86.4-26.4-179-69.7178000113.9L98 S99 P105 L106 I179L98-L102 HydrophobicContact CD1-CD1 3.79Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.82Å; L98-L102 HydrophobicContact CG-CG 4.35Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 2.92Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 2.9Å; L98-L102 PolarHBondContact O-N 2.9Å; S99-L102 PolarHBondContact O-N 3.34Å; L102-P105 WeakPolarHBondContact O-CD 3.26Å; L102-P105 WeakPolarHBondContact O-CG 3.12Å; L102-L106 HydrophobicContact CB-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CD1 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; L102-I179 HydrophobicContact CB-CD1 4.26Å
103L92.6Very high91.3Very high0 Ų044.3 Ų44.30%024%0.243CC..Hα-helixtrans-60.4-53-177.3-91.3165.8000113.4S99 Y107 A126 L172 C175 A176 I179S99-L103 VanDerWaalsContact O-CB 3.28Å; S99-L103 WeakPolarHBondContact O-CB 3.37Å; S99-L103 WeakPolarHBondContact O-CG 3.48Å; S99-L103 PolarHBondContact O-N 3.08Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 3.39Å; L103-A126 HydrophobicContact CD1-CB 3.89Å; L103-A126 HydrophobicContact CD2-CB 4.29Å; L103-L172 HydrophobicContact CB-CD1 4.2Å; L103-L172 HydrophobicContact CD2-CD1 3.83Å; L103-L172 HydrophobicContact CD2-CG 4.37Å; L103-C175 HydrophobicContact CD2-CB 4.12Å; L103-A176 HydrophobicContact CD2-CB 3.98Å; L103-I179 HydrophobicContact CB-CD1 4.36Å; L103-I179 HydrophobicContact CD2-CD1 3.62Å; L103-I179 HydrophobicContact CG-CD1 3.63Å
104P90Very high90.9Very high1 Ų146.4 Ų46.41%0.00626%0.26CS..Hα-helixtrans-60.9-48.8-179.5-25.236.3000115.3L42 L44 L56 Y59 I100 L106 Y107 A108L42-P104 HydrophobicContact CD1-CB 3.71Å; L42-P104 HydrophobicContact CD1-CG 3.43Å; L42-P104 VanDerWaalsContact CD1-CG 3.43Å; L44-P104 HydrophobicContact CD1-CB 3.9Å; L44-P104 HydrophobicContact CD2-CB 4.25Å; L56-P104 HydrophobicContact CD1-CB 3.7Å; L56-P104 HydrophobicContact CD1-CG 3.8Å; Y59-P104 HydrophobicContact CD1-CG 4.38Å; Y59-P104 HydrophobicContact CE1-CG 3.56Å; Y59-P104 WeakPolarHBondContact OH-CD 3.32Å; I100-P104 WeakPolarHBondContact O-CD 3.48Å; P104-L106 PolarHBondContact O-N 3.1Å; P104-Y107 PolarHBondContact O-N 3.39Å; P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.96Å
105P89.4Confident90.4Very high60 Ų6048.3 Ų48.339%0.3928%0.282SS..Hα-helixtrans-67.8-36.6-179.625.9-34000112.2A101 L102 A108 I109A101-P105 WeakPolarHBondContact O-CD 3.48Å; A101-P105 WeakPolarHBondContact O-CG 3.29Å; L102-P105 WeakPolarHBondContact O-CD 3.26Å; L102-P105 WeakPolarHBondContact O-CG 3.12Å; P105-A108 PolarHBondContact O-N 2.91Å; P105-I109 WeakPolarHBondContact O-CB 3.43Å; P105-I109 WeakPolarHBondContact O-CD1 3.38Å; P105-I109 VanDerWaalsContact O-CG1 3.23Å; P105-I109 WeakPolarHBondContact O-CG1 3.28Å; P105-I109 PolarHBondContact O-N 2.85Å
106L91.3Very high89.8Confident67 Ų6751.7 Ų51.735%0.35130%0.3SS..Hα-helixtrans-66.1-40175.1-73.7170.4000111.7L102 P104 I109 L110 I179L102-L106 HydrophobicContact CB-CD1 4.26Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CD1 3.43Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; P104-L106 PolarHBondContact O-N 3.1Å; L106-I109 PolarHBondContact O-N 3.08Å; L106-L110 VanDerWaalsContact O-CD1 3.23Å; L106-L110 WeakPolarHBondContact O-CD1 3.35Å; L106-L110 PolarHBondContact O-N 3.45Å; L106-L110 VanDerWaalsContact O-N 3.11Å; L106-I179 HydrophobicContact CD1-CD1 3.71Å; L106-I179 HydrophobicContact CD1-CG1 3.54Å
107Y90.7Very high89.3Confident3 Ų359.3 Ų59.31%0.01234%0.335CS..Hα-helixtrans-68.5-41.7175.7-178.6-141.2000112.5L44 L103 P104 I109 L110 L111 S119 V121 P169 L171 L172L44-Y107 HydrophobicContact CD1-CD1 3.96Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 PolarHBondContact O-N 3.39Å; P104-Y107 PolarHBondContact O-N 3.39Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.44Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.08Å; Y107-L111 HydrophobicContact CD1-CD1 4.29Å; Y107-L111 HydrophobicContact CD2-CD1 4.35Å; Y107-L111 HydrophobicContact CD2-CG 4.04Å; Y107-L111 HydrophobicContact CE1-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 3.66Å; Y107-L111 HydrophobicContact CE2-CG 3.59Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.47Å; Y107-S119 VanDerWaalsContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact OH-CB 3.47Å; Y107-S119 PolarHBondContact OH-OG 3.1Å; Y107-S119 VanDerWaalsContact OH-OG 3.11Å; Y107-V121 HydrophobicContact CD1-CG2 4.03Å; Y107-V121 HydrophobicContact CE1-CG2 3.7Å; Y107-P169 HydrophobicContact CE1-CB 4.34Å; Y107-P169 HydrophobicContact CE1-CG 3.74Å; Y107-P169 WeakPolarHBondContact OH-CB 3.34Å; Y107-P169 WeakPolarHBondContact OH-CG 3.42Å; Y107-L171 HydrophobicContact CD2-CB 4.11Å; Y107-L171 HydrophobicContact CE2-CB 3.55Å; Y107-L171 HydrophobicContact CE2-CD1 4.32Å; Y107-L172 HydrophobicContact CD1-CB 4.07Å; Y107-L172 HydrophobicContact CD1-CD1 3.8Å; Y107-L172 HydrophobicContact CD1-CG 4.45Å; Y107-L172 HydrophobicContact CE1-CB 4.22Å; Y107-L172 HydrophobicContact CG-CB 4.23Å; Y107-L172 HydrophobicContact CG-CD1 3.96Å
108A89Confident88.7Confident32 Ų3257.1 Ų57.126%0.26433%0.332SS..Hα-helixtrans-60.9-37.7174.800000112.6P104 P105 L111 F112P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.96Å; P105-A108 PolarHBondContact O-N 2.91Å; A108-L111 PolarHBondContact O-N 3.01Å; A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.01Å
109I89.4Confident88.2Confident94 Ų9455.9 Ų55.948%0.48233%0.327SS..Hα-helixtrans-63-43.1172-71163.5000110.9P105 L106 Y107 F112 I113P105-I109 WeakPolarHBondContact O-CB 3.43Å; P105-I109 WeakPolarHBondContact O-CD1 3.38Å; P105-I109 VanDerWaalsContact O-CG1 3.23Å; P105-I109 WeakPolarHBondContact O-CG1 3.28Å; P105-I109 PolarHBondContact O-N 2.85Å; L106-I109 PolarHBondContact O-N 3.08Å; Y107-I109 VanDerWaalsContact C-N 3.31Å; Y107-I109 PolarHBondContact O-N 3.44Å; I109-F112 PolarHBondContact O-N 2.98Å; I109-I113 HydrophobicContact CG2-CD1 3.74Å; I109-I113 WeakPolarHBondContact O-CD1 3.43Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.47Å; I109-I113 PolarHBondContact O-N 3.33Å; I109-I113 VanDerWaalsContact O-N 3.08Å
110L89.3Confident87.8Confident50 Ų5061.9 Ų61.926%0.26235%0.35SS..Hα-helixtrans-62.8-46.3176-95.579.8000112.1L106 Y107 F112 I113 S114L106-L110 VanDerWaalsContact O-CD1 3.23Å; L106-L110 WeakPolarHBondContact O-CD1 3.35Å; L106-L110 PolarHBondContact O-N 3.45Å; L106-L110 VanDerWaalsContact O-N 3.11Å; Y107-L110 PolarHBondContact O-N 3.04Å; Y107-L110 VanDerWaalsContact O-N 3.08Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.18Å; L110-I113 PolarHBondContact O-N 3.13Å; L110-I113 VanDerWaalsContact O-N 3.1Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.07Å; L110-S114 VanDerWaalsContact O-OG 3.11Å
111L88.2Confident87.5Confident0 Ų061.7 Ų61.70%035%0.349CS..Hα-helixtrans-58.3-42.2177.5-70.6172.6000112.3L44 Y107 A108 I113 S114 G115 D116L44-L111 HydrophobicContact CB-CD1 4.18Å; L44-L111 WeakPolarHBondContact O-CD1 3.44Å; Y107-L111 HydrophobicContact CD1-CD1 4.29Å; Y107-L111 HydrophobicContact CD2-CD1 4.35Å; Y107-L111 HydrophobicContact CD2-CG 4.04Å; Y107-L111 HydrophobicContact CE1-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD1 3.94Å; Y107-L111 HydrophobicContact CE2-CD2 3.66Å; Y107-L111 HydrophobicContact CE2-CG 3.59Å; Y107-L111 HydrophobicContact CG-CD1 4.49Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.47Å; A108-L111 PolarHBondContact O-N 3.01Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.16Å; L111-S114 WeakPolarHBondContact CA-OG 3.45Å; L111-S114 PolarHBondContact O-N 2.91Å; L111-S114 PolarHBondContact O-OG 3.4Å; L111-G115 PolarHBondContact O-N 2.95Å; L111-D116 HydrophobicContact CD2-CB 3.72Å; L111-D116 WeakPolarHBondContact CD2-OD2 3.36Å; L111-D116 PolarHBondContact O-N 3.41Å
112F86.6Confident87.2Confident165 Ų16560.8 Ų60.872%0.72434%0.34SS*.Hα-helixtrans-66.7-31.2177.1-168.2-92.2000112.7A108 I109 L110A108-F112 WeakPolarHBondContact O-CB 3.32Å; A108-F112 PolarHBondContact O-N 3.01Å; I109-F112 PolarHBondContact O-N 2.98Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.18Å
113I88.6Confident87Confident135 Ų13557.9 Ų57.969%0.69233%0.326SS*.Hα-helixtrans-78.3-36.3175.5-68.5166.5000111.7I109 L110 L111I109-I113 HydrophobicContact CG2-CD1 3.74Å; I109-I113 WeakPolarHBondContact O-CD1 3.43Å; I109-I113 VanDerWaalsContact O-CG1 3.26Å; I109-I113 WeakPolarHBondContact O-CG1 3.47Å; I109-I113 PolarHBondContact O-N 3.33Å; I109-I113 VanDerWaalsContact O-N 3.08Å; L110-I113 PolarHBondContact O-N 3.13Å; L110-I113 VanDerWaalsContact O-N 3.1Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.16Å
114S85.6Confident86.8Confident71 Ų7158.3 Ų58.350%0.49733%0.329SS..Hα-helixtrans-81.5-15.8179.259.30000114L110 L111 D116L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.07Å; L110-S114 VanDerWaalsContact O-OG 3.11Å; L111-S114 WeakPolarHBondContact CA-OG 3.45Å; L111-S114 PolarHBondContact O-N 2.91Å; L111-S114 PolarHBondContact O-OG 3.4Å; S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 VanDerWaalsContact OG-CB 3.31Å; S114-D116 WeakPolarHBondContact OG-CB 3.28Å
115G81.1Confident86.9Confident67 Ų6758.4 Ų58.469%0.69133%0.33SS*.THydrogen-bonded Turntrans68.328.2-173.500000112.9L111L111-G115 PolarHBondContact O-N 2.95Å
116D82.1Confident87.1Confident70 Ų7055.7 Ų55.737%0.37431%0.312SS..  trans-86.9158.5-176.2-171.821000111.2P46 L111 S114P46-D116 VanDerWaalsContact CD-O 3.23Å; P46-D116 WeakPolarHBondContact CD-O 3.4Å; P46-D116 WeakPolarHBondContact CG-O 3.36Å; L111-D116 HydrophobicContact CD2-CB 3.72Å; L111-D116 WeakPolarHBondContact CD2-OD2 3.36Å; L111-D116 PolarHBondContact O-N 3.41Å; S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 VanDerWaalsContact OG-CB 3.31Å; S114-D116 WeakPolarHBondContact OG-CB 3.28Å
117E82.8Confident87.2Confident162 Ų16252.8 Ų52.876%0.75730%0.297SS*.  trans-72.3167-171.6-68.8-165.5166.400113.5S119E117-S119 PolarHBondContact O-N 2.78Å
118A81.2Confident87.3Confident55 Ų5553.2 Ų53.246%0.45530%0.299SS..  trans-67.7101.1177.600000111.5L44L44-A118 CarbonylContact O-C 3.48Å; L44-A118 WeakPolarHBondContact O-CA 3.47Å
119S83.8Confident87.6Confident24 Ų2451.7 Ų51.717%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-84.8153.4-179.368.40000112.6S43 L44 Y107 E117S43-S119 WeakPolarHBondContact CA-O 3.35Å; L44-S119 PolarHBondContact N-O 3.18Å; L44-S119 PolarHBondContact O-N 3.25Å; L44-S119 PolarHBondContact O-OG 3.08Å; Y107-S119 VanDerWaalsContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact CE1-OG 3.23Å; Y107-S119 WeakPolarHBondContact OH-CB 3.47Å; Y107-S119 PolarHBondContact OH-OG 3.1Å; Y107-S119 VanDerWaalsContact OH-OG 3.11Å; E117-S119 PolarHBondContact O-N 2.78Å
120R84.8Confident87.8Confident126 Ų12647.2 Ų47.248%0.47526%0.264SS..EExtended strand (participates in β ladder)trans-104.7134.5174.3-167.9168175.2-122.9-8.3110.4S41 L42 E64S41-R120 PolarHBondContact OG-NE 2.87Å; S41-R120 PolarHBondContact OG-NH2 2.83Å; L42-R120 CarbonylContact O-C 3.59Å; L42-R120 WeakPolarHBondContact O-CA 3.35Å; E64-R120 VanDerWaalsContact CD-CZ 3.48Å; E64-R120 VanDerWaalsContact CD-NH1 3.32Å; E64-R120 IonicContact OE1-CZ 3.09Å; E64-R120 IonicContact OE1-NE 3.78Å; E64-R120 IonicContact OE1-NH1 3.19Å; E64-R120 PolarHBondContact OE1-NH1 3.15Å; E64-R120 IonicContact OE1-NH2 2.68Å; E64-R120 PolarHBondContact OE1-NH2 2.87Å; E64-R120 IonicContact OE2-CZ 3.12Å; E64-R120 IonicContact OE2-NH1 2.67Å; E64-R120 PolarHBondContact OE2-NH1 3.02Å; E64-R120 IonicContact OE2-NH2 2.73Å; E64-R120 PolarHBondContact OE2-NH2 3.48Å
121V86.6Confident88.1Confident3 Ų345 Ų452%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-130.7127.4-173.5173.30000111.2L42 L44 Y59 Y107 P169 L172L42-V121 HydrophobicContact CB-CB 4.43Å; L42-V121 PolarHBondContact N-O 3Å; L42-V121 PolarHBondContact O-N 2.94Å; L44-V121 HydrophobicContact CD1-CB 4.35Å; L44-V121 HydrophobicContact CD1-CG2 4.12Å; Y59-V121 HydrophobicContact CD2-CG1 3.81Å; Y59-V121 HydrophobicContact CE2-CG1 3.77Å; Y107-V121 HydrophobicContact CD1-CG2 4.03Å; Y107-V121 HydrophobicContact CE1-CG2 3.7Å; V121-P169 HydrophobicContact CG2-CG 3.97Å; V121-L172 HydrophobicContact CB-CD2 4.42Å; V121-L172 HydrophobicContact CG1-CD2 3.42Å; V121-L172 VanDerWaalsContact CG1-CD2 3.42Å; V121-L172 HydrophobicContact CG2-CD2 4.09Å
122C86.1Confident88.3Confident25 Ų2546 Ų4617%0.16926%0.256CS..  trans-147.9159.8174.157.20000110.5Y59 E64Y59-C122 CarbonylContact O-C 3.36Å; E64-C122 PolarHBondContact OE1-SG 3.28Å
123G87.8Confident88.6Confident5 Ų538.1 Ų38.15%0.05222%0.222CC..SBendtrans87.9157173.400000116.7Y59 A60 S62 H63 S125Y59-G123 PolarHBondContact O-N 2.83Å; A60-G123 CarbonylContact O-C 3.38Å; S62-G123 VanDerWaalsContact O-CA 3.23Å; S62-G123 WeakPolarHBondContact O-CA 3.41Å; S62-G123 PolarHBondContact O-N 2.92Å; S62-G123 VanDerWaalsContact O-N 3.09Å; H63-G123 WeakPolarHBondContact CE1-CA 3.18Å; G123-S125 PolarHBondContact O-N 3.35Å
124S88.8Confident88.7Confident10 Ų1031.7 Ų31.77%0.0719%0.189CC..SBendtrans-82.8-2.6-174.250.40000115A60 A126 T127 Q128A60-S124 VanDerWaalsContact O-CA 3.26Å; A60-S124 WeakPolarHBondContact O-CA 3.23Å; A60-S124 WeakPolarHBondContact O-CB 3.5Å; A60-S124 PolarHBondContact O-N 3.25Å; S124-A126 PolarHBondContact O-N 2.86Å; S124-T127 CarbonylContact O-C 3.44Å; S124-T127 WeakPolarHBondContact O-CA 3.34Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.43Å; S124-T127 PolarHBondContact O-N 2.95Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.09Å; S124-Q128 PolarHBondContact OG-NE2 3.25Å
125S92.3Very high88.9Confident3 Ų328.4 Ų28.42%0.02117%0.166CC..Hα-helixtrans-58.8-41.5-167.954.50000113.9N72 G123 L129 H173N72-S125 WeakPolarHBondContact OD1-CA 3.26Å; N72-S125 VanDerWaalsContact OD1-CB 3.27Å; N72-S125 WeakPolarHBondContact OD1-CB 3.47Å; N72-S125 PolarHBondContact OD1-N 2.83Å; G123-S125 PolarHBondContact O-N 3.35Å; S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.4Å; S125-H173 PolarHBondContact OG-CE1 3.03Å
126A92.6Very high89.2Confident2 Ų225.5 Ų25.52%0.01714%0.135CC..Hα-helixtrans-67-39.4173.200000112.2L103 S124 L129 A130 L172 A176L103-A126 HydrophobicContact CD1-CB 3.89Å; L103-A126 HydrophobicContact CD2-CB 4.29Å; S124-A126 PolarHBondContact O-N 2.86Å; A126-L129 PolarHBondContact O-N 2.91Å; A126-A130 PolarHBondContact O-N 2.96Å; A126-L172 HydrophobicContact CB-CD2 3.95Å; A126-L172 HydrophobicContact CB-CG 3.83Å; A126-A176 HydrophobicContact CB-CB 4.22Å; A126-A176 WeakPolarHBondContact O-CB 3.36Å
127T93.4Very high89.4Confident7 Ų727.1 Ų27.14%0.04314%0.136CC..Hα-helixtrans-61.7-46.5175-66.60000111.1I100 S124 L129 A130 L131I100-T127 HydrophobicContact CD1-CG2 4.37Å; I100-T127 HydrophobicContact CG1-CG2 3.87Å; I100-T127 WeakPolarHBondContact CG1-OG1 3.49Å; S124-T127 CarbonylContact O-C 3.44Å; S124-T127 WeakPolarHBondContact O-CA 3.34Å; S124-T127 VanDerWaalsContact O-CB 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.43Å; S124-T127 PolarHBondContact O-N 2.95Å; T127-L129 PolarHBondContact O-N 3.14Å; T127-A130 WeakPolarHBondContact O-CB 3.47Å; T127-A130 PolarHBondContact O-N 2.9Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 2.73Å; T127-L131 VanDerWaalsContact O-N 3.14Å
128Q93.5Very high89.3Confident11 Ų1121.6 Ų21.65%0.05111%0.11CC..Hα-helixtrans-64.4-39.3178.5-62.4-170.636.100111.8N72 L75 L76 S124 L131 F132N72-Q128 PolarHBondContact O-NE2 3.25Å; N72-Q128 PolarHBondContact O-OE1 3.45Å; N72-Q128 PolarHBondContact OD1-NE2 3.06Å; L75-Q128 VanDerWaalsContact CB-OE1 3.24Å; L75-Q128 HydrophobicContact CD2-CB 4.08Å; L76-Q128 VanDerWaalsContact N-OE1 3.1Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.09Å; S124-Q128 PolarHBondContact OG-NE2 3.25Å; Q128-L131 PolarHBondContact O-N 2.57Å; Q128-F132 VanDerWaalsContact O-CB 3.31Å; Q128-F132 WeakPolarHBondContact O-CB 3.26Å; Q128-F132 PolarHBondContact O-N 2.92Å
129L94.3Very high89.1Confident0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-61-43.7172.3177.960000111.8S125 A126 T127 L131 F132 T133 L157 H173 A176 I177S125-L129 WeakPolarHBondContact O-CB 3.39Å; S125-L129 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 2.91Å; T127-L129 PolarHBondContact O-N 3.14Å; L129-L131 PolarHBondContact O-N 3.12Å; L129-F132 PolarHBondContact O-N 3.09Å; L129-T133 HydrophobicContact CD1-CG2 4.15Å; L129-T133 HydrophobicContact CG-CG2 4.4Å; L129-T133 WeakPolarHBondContact O-CG2 3.34Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-L157 HydrophobicContact CD1-CB 4.02Å; L129-L157 HydrophobicContact CD1-CD2 3.87Å; L129-L157 HydrophobicContact CD1-CG 4.02Å; L129-H173 HydrophobicContact CD2-CB 3.74Å; L129-H173 WeakPolarHBondContact CD2-O 3.47Å; L129-A176 HydrophobicContact CB-CB 4.29Å; L129-A176 HydrophobicContact CD2-CB 4.28Å; L129-A176 HydrophobicContact CG-CB 4.26Å; L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CG1 4.1Å; L129-I177 HydrophobicContact CG-CG1 4.24Å
130A95.1Very high87.8Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-58.4-50.317800000111.6A126 T127 F132 T133 A134 A176 G180A126-A130 PolarHBondContact O-N 2.96Å; T127-A130 WeakPolarHBondContact O-CB 3.47Å; T127-A130 PolarHBondContact O-N 2.9Å; A130-F132 VanDerWaalsContact C-N 3.34Å; A130-F132 PolarHBondContact O-N 3.3Å; A130-T133 PolarHBondContact O-N 2.85Å; A130-T133 PolarHBondContact O-OG1 3.34Å; A130-A134 PolarHBondContact O-N 3.11Å; A130-A176 WeakPolarHBondContact CA-O 3.25Å; A130-A176 HydrophobicContact CB-CB 3.95Å; A130-A176 WeakPolarHBondContact CB-O 3.31Å; A130-G180 WeakPolarHBondContact O-CA 3.47Å
131L94.3Very high86.3Confident5 Ų527 Ų273%0.02614%0.138CC..Hα-helixtrans-60.2-43.2176-59.7176.5000111.5W87 F92 L95 S96 T127 Q128 L129 T133 A134 Q135W87-L131 HydrophobicContact CH2-CB 4.19Å; W87-L131 HydrophobicContact CH2-CD2 4.43Å; W87-L131 WeakPolarHBondContact CH2-O 3.31Å; W87-L131 HydrophobicContact CZ3-CB 4.24Å; W87-L131 HydrophobicContact CZ3-CD2 4.07Å; F92-L131 HydrophobicContact CD2-CD1 4.49Å; F92-L131 HydrophobicContact CE2-CD1 3.97Å; L95-L131 HydrophobicContact CB-CD2 3.59Å; S96-L131 WeakPolarHBondContact OG-CD1 3.38Å; T127-L131 WeakPolarHBondContact O-CG 3.4Å; T127-L131 PolarHBondContact O-N 2.73Å; T127-L131 VanDerWaalsContact O-N 3.14Å; Q128-L131 PolarHBondContact O-N 2.57Å; L129-L131 PolarHBondContact O-N 3.12Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.44Å
132F92.9Very high85Confident19 Ų1933.5 Ų33.58%0.08316%0.163CC..Hα-helixtrans-61.9-37.7177.1-174-115.6000112.8L79 Q128 L129 A130 Q135 C136 L153 L157L79-F132 HydrophobicContact CD1-CB 4.15Å; L79-F132 HydrophobicContact CD1-CD2 3.55Å; L79-F132 HydrophobicContact CD1-CE2 4.1Å; L79-F132 HydrophobicContact CD1-CG 4.01Å; L79-F132 HydrophobicContact CD2-CD2 3.77Å; L79-F132 HydrophobicContact CD2-CE2 3.66Å; L79-F132 HydrophobicContact CG-CD2 4.29Å; Q128-F132 VanDerWaalsContact O-CB 3.31Å; Q128-F132 WeakPolarHBondContact O-CB 3.26Å; Q128-F132 PolarHBondContact O-N 2.92Å; L129-F132 PolarHBondContact O-N 3.09Å; A130-F132 VanDerWaalsContact C-N 3.34Å; A130-F132 PolarHBondContact O-N 3.3Å; F132-Q135 WeakPolarHBondContact O-CB 3.17Å; F132-Q135 PolarHBondContact O-N 3.43Å; F132-C136 WeakPolarHBondContact O-CB 3.36Å; F132-C136 PolarHBondContact O-N 3.45Å; F132-C136 PolarHBondContact O-SG 3Å; F132-L153 HydrophobicContact CE1-CB 4.38Å; F132-L153 HydrophobicContact CE1-CD2 4.17Å; F132-L153 HydrophobicContact CE1-CG 3.85Å; F132-L153 HydrophobicContact CE2-CD2 4.35Å; F132-L153 HydrophobicContact CZ-CD2 3.5Å; F132-L153 VanDerWaalsContact CZ-CD2 3.5Å; F132-L153 HydrophobicContact CZ-CG 3.65Å; F132-L157 HydrophobicContact CB-CD2 4.22Å; F132-L157 HydrophobicContact CD1-CB 4.3Å; F132-L157 HydrophobicContact CD1-CD2 3.39Å; F132-L157 HydrophobicContact CD1-CG 4.48Å; F132-L157 HydrophobicContact CE1-CB 4.15Å; F132-L157 HydrophobicContact CE1-CD2 3.8Å; F132-L157 HydrophobicContact CG-CD2 3.92Å
133T92.6Very high83.6Confident1 Ų139.7 Ų39.71%0.00619%0.187CC..Hα-helixtrans-66.3-4117675.20000112L129 A130 L131 C136 R137 P154 I177 G180L129-T133 HydrophobicContact CD1-CG2 4.15Å; L129-T133 HydrophobicContact CG-CG2 4.4Å; L129-T133 WeakPolarHBondContact O-CG2 3.34Å; L129-T133 PolarHBondContact O-N 2.93Å; A130-T133 PolarHBondContact O-N 2.85Å; A130-T133 PolarHBondContact O-OG1 3.34Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; T133-C136 PolarHBondContact O-N 3.49Å; T133-R137 WeakPolarHBondContact O-CB 3.38Å; T133-R137 PolarHBondContact O-N 3.48Å; T133-P154 HydrophobicContact CG2-CB 3.58Å; T133-P154 HydrophobicContact CG2-CG 3.87Å; T133-I177 HydrophobicContact CG2-CB 4.23Å; T133-I177 HydrophobicContact CG2-CG1 3.93Å; T133-I177 HydrophobicContact CG2-CG2 4.35Å; T133-G180 WeakPolarHBondContact OG1-CA 3.3Å
134A91.9Very high82.1Confident0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-64.5-39.8175.100000111.7W87 A130 L131 R137 Q138 Y183W87-A134 HydrophobicContact CH2-CB 4.37Å; W87-A134 HydrophobicContact CZ2-CB 4.24Å; A130-A134 PolarHBondContact O-N 3.11Å; L131-A134 PolarHBondContact O-N 3.22Å; A134-R137 PolarHBondContact O-N 2.86Å; A134-Q138 WeakPolarHBondContact O-CG 3.32Å; A134-Q138 PolarHBondContact O-N 3.44Å; A134-Y183 HydrophobicContact CB-CD2 4.02Å
135Q89.8Confident80.6Confident2 Ų247.2 Ų47.21%0.00922%0.224CC..Hα-helixtrans-63.4-43.4174.3-174.6-173.812.200111.8F12 Q83 R86 W87 L131 F132 Q138F12-Q135 HydrophobicContact CD1-CG 4.08Å; Q83-Q135 HydrophobicContact CG-CB 4.47Å; Q83-Q135 HydrophobicContact CG-CG 4.3Å; Q83-Q135 VanDerWaalsContact CG-OE1 3.25Å; R86-Q135 PolarHBondContact NH1-O 3.48Å; W87-Q135 HydrophobicContact CH2-CB 4.3Å; W87-Q135 HydrophobicContact CZ2-CB 4.1Å; L131-Q135 WeakPolarHBondContact O-CB 3.43Å; L131-Q135 PolarHBondContact O-N 3.44Å; F132-Q135 WeakPolarHBondContact O-CB 3.17Å; F132-Q135 PolarHBondContact O-N 3.43Å; Q135-Q138 PolarHBondContact O-N 3.25Å
136C87.3Confident79Confident5 Ų557.7 Ų57.73%0.03426%0.263CS..Hα-helixtrans-62.9-48.3175.6-70.80000111.3F132 T133 Q138 V139 V150 P154F132-C136 WeakPolarHBondContact O-CB 3.36Å; F132-C136 PolarHBondContact O-N 3.45Å; F132-C136 PolarHBondContact O-SG 3Å; T133-C136 PolarHBondContact O-N 3.49Å; C136-Q138 PolarHBondContact O-N 3.5Å; C136-V139 PolarHBondContact O-N 3.44Å; C136-V150 HydrophobicContact CB-CG1 3.63Å; C136-V150 WeakPolarHBondContact O-CG1 3.32Å; C136-P154 HydrophobicContact CB-CG 4.07Å
137R85.2Confident77.6Confident105 Ų10563 Ų6340%0.39630%0.299SS..Hα-helixtrans-56.3-34.1178.1-174.1-171.9-176.5-166.818.6113.4T133 A134 H181 Y183T133-R137 WeakPolarHBondContact O-CB 3.38Å; T133-R137 PolarHBondContact O-N 3.48Å; A134-R137 PolarHBondContact O-N 2.86Å; R137-H181 PolarHBondContact NH1-O 3.03Å; R137-H181 PolarHBondContact NH2-O 2.91Å; R137-Y183 VanDerWaalsContact NH1-C 3.25Å; R137-Y183 PolarHBondContact NH1-O 3.39Å
138Q80.6Confident76.4Confident46 Ų4664.9 Ų64.922%0.21531%0.31CS..THydrogen-bonded Turntrans-77.8-13.7178.9-77.8-176.9-8.300114.8R86 A134 Q135 C136 T140R86-Q138 VanDerWaalsContact CD-OE1 3.29Å; A134-Q138 WeakPolarHBondContact O-CG 3.32Å; A134-Q138 PolarHBondContact O-N 3.44Å; Q135-Q138 PolarHBondContact O-N 3.25Å; C136-Q138 PolarHBondContact O-N 3.5Å; Q138-T140 PolarHBondContact O-N 3Å
139V76.6Confident75.7Confident21 Ų2167.6 Ų67.613%0.12733%0.329CS..SBendtrans-84.5102.5176.5179.60000109.4F12 C136 Q141 R142 V150F12-V139 HydrophobicContact CD1-CG2 3.87Å; F12-V139 HydrophobicContact CE1-CG2 3.74Å; C136-V139 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-N 3.45Å; V139-R142 HydrophobicContact CG1-CB 4.04Å; V139-R142 HydrophobicContact CG1-CG 4.26Å; V139-V150 HydrophobicContact CB-CG1 4.36Å
140T57.1Low75Confident128 Ų12868 Ų6879%0.78533%0.331SS*.  trans-59.797.2179-42.60000111.8Q138 R142Q138-T140 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.14Å; T140-R142 VanDerWaalsContact O-N 3.09Å
141Q54Low74.3Confident168 Ų16875.3 Ų75.379%0.78536%0.359SS*.SBendtrans40.349.9166.1-66.8-64.8-5.700116.6V139V139-Q141 PolarHBondContact O-N 3.45Å
142R58.4Low73.9Confident141 Ų14179.8 Ų79.853%0.53238%0.378SS..  trans-95.5124.1164.9-65.1-179.1175.3-157.4-1109V139 T140 L144 V150V139-R142 HydrophobicContact CG1-CB 4.04Å; V139-R142 HydrophobicContact CG1-CG 4.26Å; T140-R142 PolarHBondContact O-N 3.14Å; T140-R142 VanDerWaalsContact O-N 3.09Å; R142-L144 PolarHBondContact O-N 3.36Å; R142-V150 WeakPolarHBondContact O-CG2 3.44Å
143K57.8Low73.7Confident154 Ų15480.4 Ų80.467%0.6738%0.383SS*.EExtended strand (participates in β ladder)trans-72.1109.5172.7-67.8-171.3179.6-174.60109.3R146 V148K143-R146 WeakPolarHBondContact CD-O 3.45Å; K143-R146 PolarHBondContact O-N 2.91Å; K143-R146 VanDerWaalsContact O-N 3.16Å; K143-V148 CarbonylContact C-O 3.58Å
144L56.5Low73.6Confident34 Ų3480.5 Ų80.518%0.17838%0.383CS..EExtended strand (participates in β ladder)trans-68135.6177.3-168.765.1000109F12 R142 R146 C147 V148 V150 L153F12-L144 HydrophobicContact CE2-CD1 3.94Å; F12-L144 HydrophobicContact CE2-CD2 4.31Å; F12-L144 HydrophobicContact CZ-CD1 4.44Å; F12-L144 HydrophobicContact CZ-CD2 4.36Å; R142-L144 PolarHBondContact O-N 3.36Å; L144-R146 PolarHBondContact O-N 2.8Å; L144-C147 PolarHBondContact O-N 3.08Å; L144-V148 PolarHBondContact N-O 3.05Å; L144-V148 PolarHBondContact O-N 3.16Å; L144-V150 HydrophobicContact CB-CG2 3.89Å; L144-L153 HydrophobicContact CD2-CD1 4.3Å; L144-L153 HydrophobicContact CD2-CD2 3.57Å
145L56.2Low73.5Confident139 Ų13984.2 Ų84.273%0.72840%0.397SS*.THydrogen-bonded Turntrans53.620.1-171.9-112.172.8000114.7C147L145-C147 PolarHBondContact O-N 3.21Å
146R58.8Low73.5Confident224 Ų22487.4 Ų87.485%0.84541%0.414SS*.THydrogen-bonded Turntrans65.7-23.5-173.7-139.7176.1-166.8173.12.9115.1K143 L144K143-R146 WeakPolarHBondContact CD-O 3.45Å; K143-R146 PolarHBondContact O-N 2.91Å; K143-R146 VanDerWaalsContact O-N 3.16Å; L144-R146 PolarHBondContact O-N 2.8Å
147C63.6Low73.6Confident113 Ų11387.9 Ų87.976%0.76442%0.416SS*.THydrogen-bonded Turntrans-99.6-29.3-174.3-59.50000115L144 L145L144-C147 PolarHBondContact O-N 3.08Å; L145-C147 PolarHBondContact O-N 3.21Å
148V68.1Low73.8Confident46 Ų4684.4 Ų84.428%0.27941%0.405SS..EExtended strand (participates in β ladder)trans-109.9127.9-172-175.90000111.2K143 L144 F152 L156K143-V148 CarbonylContact C-O 3.58Å; L144-V148 PolarHBondContact N-O 3.05Å; L144-V148 PolarHBondContact O-N 3.16Å; V148-F152 HydrophobicContact CG1-CD1 4.43Å; V148-L156 HydrophobicContact CG1-CD1 4.21Å
149P77.6Confident74.3Confident68 Ų6887.3 Ų87.344%0.44242%0.421SS..EExtended strand (participates in β ladder)trans-71.9132.317129.8-32.4000110.1W151 F152P149-W151 PolarHBondContact O-N 3.46Å; P149-W151 VanDerWaalsContact O-N 3.08Å; P149-F152 HydrophobicContact CG-CB 4.03Å; P149-F152 WeakPolarHBondContact O-CB 3.48Å; P149-F152 PolarHBondContact O-N 2.93Å
150V81Confident74.8Confident8 Ų890.1 Ų90.15%0.04844%0.435CS..G310 helixtrans-59.1-25.8-175.5165.40000113.3C136 V139 R142 L144 F152 L153 P154C136-V150 HydrophobicContact CB-CG1 3.63Å; C136-V150 WeakPolarHBondContact O-CG1 3.32Å; V139-V150 HydrophobicContact CB-CG1 4.36Å; R142-V150 WeakPolarHBondContact O-CG2 3.44Å; L144-V150 HydrophobicContact CB-CG2 3.89Å; V150-F152 VanDerWaalsContact C-N 3.26Å; V150-F152 PolarHBondContact O-N 3.11Å; V150-L153 VanDerWaalsContact O-CB 3.29Å; V150-L153 WeakPolarHBondContact O-CB 3.25Å; V150-L153 PolarHBondContact O-N 3.21Å; V150-P154 WeakPolarHBondContact O-CD 3.06Å
151W80.5Confident76.3Confident155 Ų15584 Ų8459%0.58740%0.398SS*.G310 helixtrans-66.7-22.6173.8-174.371.9000114.2P149 P154 W155 H181P149-W151 PolarHBondContact O-N 3.46Å; P149-W151 VanDerWaalsContact O-N 3.08Å; W151-P154 WeakPolarHBondContact O-CD 3.29Å; W151-W155 AromaticContact CH2-NE1 3.88Å; W151-W155 HydrophobicContact CZ2-CZ2 4.43Å; W151-W155 AromaticContact CZ2-NE1 3.77Å; W151-H181 AromaticContact CD1-NE2 3.67Å; W151-H181 AromaticContact NE1-CE1 3.9Å; W151-H181 AromaticContact NE1-NE2 3Å; W151-H181 PolarHBondContact NE1-NE2 3.45Å
152F86Confident77.9Confident98 Ų9880.3 Ų80.343%0.4338%0.383SS..G310 helixtrans-81.8-17.6174.9-168.8-118000113V148 P149 V150 W155 L156V148-F152 HydrophobicContact CG1-CD1 4.43Å; P149-F152 HydrophobicContact CG-CB 4.03Å; P149-F152 WeakPolarHBondContact O-CB 3.48Å; P149-F152 PolarHBondContact O-N 2.93Å; V150-F152 VanDerWaalsContact C-N 3.26Å; V150-F152 PolarHBondContact O-N 3.11Å; F152-W155 HydrophobicContact CD2-CB 4.14Å; F152-W155 HydrophobicContact CE2-CB 4.11Å; F152-W155 WeakPolarHBondContact O-CB 3.32Å; F152-W155 PolarHBondContact O-N 3.45Å; F152-L156 HydrophobicContact CD1-CD1 3.77Å; F152-L156 HydrophobicContact CD1-CD2 4.34Å; F152-L156 HydrophobicContact CD1-CG 3.77Å; F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CE1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CG 3.64Å; F152-L156 HydrophobicContact CZ-CD2 4.43Å; F152-L156 HydrophobicContact CZ-CG 4.45Å; F152-L156 PolarHBondContact O-N 3.25Å; F152-L156 VanDerWaalsContact O-N 3.15Å
153L88.2Confident79.2Confident33 Ų3378.7 Ų78.717%0.17339%0.388CS..Hα-helixtrans-63.4-36.2-173.4-160.565.4000114.2F132 L144 V150 W155 L156 L157F132-L153 HydrophobicContact CE1-CB 4.38Å; F132-L153 HydrophobicContact CE1-CD2 4.17Å; F132-L153 HydrophobicContact CE1-CG 3.85Å; F132-L153 HydrophobicContact CE2-CD2 4.35Å; F132-L153 HydrophobicContact CZ-CD2 3.5Å; F132-L153 VanDerWaalsContact CZ-CD2 3.5Å; F132-L153 HydrophobicContact CZ-CG 3.65Å; L144-L153 HydrophobicContact CD2-CD1 4.3Å; L144-L153 HydrophobicContact CD2-CD2 3.57Å; V150-L153 VanDerWaalsContact O-CB 3.29Å; V150-L153 WeakPolarHBondContact O-CB 3.25Å; V150-L153 PolarHBondContact O-N 3.21Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3.25Å; L153-L156 HydrophobicContact CD1-CD1 4.25Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-L157 PolarHBondContact O-N 2.89Å; L153-L157 VanDerWaalsContact O-N 3.07Å
154P90.1Very high80.4Confident2 Ų275.6 Ų75.61%0.01338%0.379CS..Hα-helixtrans-58.2-38167.6-3240.5000115.3T133 C136 V150 W151 L157 L158T133-P154 HydrophobicContact CG2-CB 3.58Å; T133-P154 HydrophobicContact CG2-CG 3.87Å; C136-P154 HydrophobicContact CB-CG 4.07Å; V150-P154 WeakPolarHBondContact O-CD 3.06Å; W151-P154 WeakPolarHBondContact O-CD 3.29Å; P154-L157 PolarHBondContact O-N 3.3Å; P154-L158 PolarHBondContact O-N 3.3Å
155W90.7Very high81.6Confident78 Ų7874.2 Ų74.230%0.29537%0.372SS..Hα-helixtrans-74.1-31.5-178.6-5798000111.5W151 F152 L153 L158 L159 F174 I177W151-W155 AromaticContact CH2-NE1 3.88Å; W151-W155 HydrophobicContact CZ2-CZ2 4.43Å; W151-W155 AromaticContact CZ2-NE1 3.77Å; F152-W155 HydrophobicContact CD2-CB 4.14Å; F152-W155 HydrophobicContact CE2-CB 4.11Å; F152-W155 WeakPolarHBondContact O-CB 3.32Å; F152-W155 PolarHBondContact O-N 3.45Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3.25Å; W155-L158 HydrophobicContact CE3-CD2 3.92Å; W155-L158 HydrophobicContact CZ3-CD2 4.27Å; W155-L159 PolarHBondContact O-N 3.03Å; W155-L159 VanDerWaalsContact O-N 3.08Å; W155-F174 HydrophobicContact CH2-CD2 4.38Å; W155-F174 HydrophobicContact CH2-CE2 4.02Å; W155-F174 HydrophobicContact CZ3-CD2 4.19Å; W155-F174 HydrophobicContact CZ3-CE2 4.17Å; W155-I177 HydrophobicContact CD2-CD1 4.34Å; W155-I177 HydrophobicContact CE3-CD1 3.94Å; W155-I177 HydrophobicContact CH2-CD1 4.44Å; W155-I177 HydrophobicContact CH2-CG2 4.27Å; W155-I177 HydrophobicContact CZ2-CG2 4.13Å; W155-I177 HydrophobicContact CZ3-CD1 3.99Å
156L90Very high82.4Confident69 Ų6972.7 Ų72.736%0.36137%0.37SS..Hα-helixtrans-65.1-40.9167.1-72.1169.6000112.1V148 F152 L153 L159 L160V148-L156 HydrophobicContact CG1-CD1 4.21Å; F152-L156 HydrophobicContact CD1-CD1 3.77Å; F152-L156 HydrophobicContact CD1-CD2 4.34Å; F152-L156 HydrophobicContact CD1-CG 3.77Å; F152-L156 HydrophobicContact CE1-CD1 4Å; F152-L156 HydrophobicContact CE1-CD2 3.72Å; F152-L156 HydrophobicContact CE1-CG 3.64Å; F152-L156 HydrophobicContact CZ-CD2 4.43Å; F152-L156 HydrophobicContact CZ-CG 4.45Å; F152-L156 PolarHBondContact O-N 3.25Å; F152-L156 VanDerWaalsContact O-N 3.15Å; L153-L156 HydrophobicContact CD1-CD1 4.25Å; L153-L156 PolarHBondContact O-N 2.98Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.46Å
157L88.1Confident82.9Confident16 Ų1665.1 Ų65.18%0.08435%0.351CS..Hα-helixtrans-70.6-33.4177.1-172.360.5000112.4L75 L129 F132 L153 P154 L160 N161L75-L157 HydrophobicContact CD1-CD1 4.39Å; L129-L157 HydrophobicContact CD1-CB 4.02Å; L129-L157 HydrophobicContact CD1-CD2 3.87Å; L129-L157 HydrophobicContact CD1-CG 4.02Å; F132-L157 HydrophobicContact CB-CD2 4.22Å; F132-L157 HydrophobicContact CD1-CB 4.3Å; F132-L157 HydrophobicContact CD1-CD2 3.39Å; F132-L157 HydrophobicContact CD1-CG 4.48Å; F132-L157 HydrophobicContact CE1-CB 4.15Å; F132-L157 HydrophobicContact CE1-CD2 3.8Å; F132-L157 HydrophobicContact CG-CD2 3.92Å; L153-L157 PolarHBondContact O-N 2.89Å; L153-L157 VanDerWaalsContact O-N 3.07Å; P154-L157 PolarHBondContact O-N 3.3Å; L157-L160 HydrophobicContact CD1-CD2 4.11Å; L157-L160 PolarHBondContact O-N 2.82Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 VanDerWaalsContact O-CG 3.31Å; L157-N161 PolarHBondContact O-N 3.42Å
158L90.2Very high83.7Confident32 Ų3260.3 Ų60.317%0.16832%0.319CS..Hα-helixtrans-59.1-49168.9172.368.6000111.5P154 W155 L160 N161 L162 H173 I177P154-L158 PolarHBondContact O-N 3.3Å; W155-L158 HydrophobicContact CE3-CD2 3.92Å; W155-L158 HydrophobicContact CZ3-CD2 4.27Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.48Å; L158-N161 PolarHBondContact O-N 2.91Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-H173 HydrophobicContact CD1-CB 3.32Å; L158-I177 HydrophobicContact CB-CD1 4.12Å; L158-I177 HydrophobicContact CD2-CD1 3.88Å; L158-I177 HydrophobicContact CG-CD1 4.42Å
159L90.1Very high84.5Confident106 Ų10659.5 Ų59.556%0.55531%0.314SS*.Hα-helixtrans-63.2-39.4178.5-17267.6000111.3W155 L156 L162 V163W155-L159 PolarHBondContact O-N 3.03Å; W155-L159 VanDerWaalsContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 3.43Å; L159-L162 PolarHBondContact O-N 3.15Å; L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 2.81Å
160L88.3Confident84.9Confident80 Ų8057.8 Ų57.842%0.41931%0.309SS..Hα-helixtrans-64.2-46174.7-17270.2000111.9Y71 L156 L157 L158 L162 V163 L164Y71-L160 HydrophobicContact CE2-CD2 4.38Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 PolarHBondContact O-N 3.46Å; L157-L160 HydrophobicContact CD1-CD2 4.11Å; L157-L160 PolarHBondContact O-N 2.82Å; L158-L160 VanDerWaalsContact C-N 3.31Å; L158-L160 PolarHBondContact O-N 3.48Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.93Å; L160-V163 PolarHBondContact O-N 2.85Å; L160-L164 HydrophobicContact CD1-CD1 3.74Å; L160-L164 HydrophobicContact CD1-CD2 4.28Å; L160-L164 HydrophobicContact CG-CD1 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 3.48Å
161N87.8Confident85.2Confident0 Ų060.6 Ų60.60%032%0.323CS..Hα-helixtrans-57.9-42.7175.5-78.6-2.9000111.4Y71 L157 L158 V163 L164 L165 H173Y71-N161 WeakPolarHBondContact CE1-OD1 3.43Å; Y71-N161 PolarHBondContact OH-OD1 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 VanDerWaalsContact O-CG 3.31Å; L157-N161 PolarHBondContact O-N 3.42Å; L158-N161 PolarHBondContact O-N 2.91Å; N161-V163 VanDerWaalsContact C-N 3.3Å; N161-V163 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact O-N 2.91Å; N161-L165 WeakPolarHBondContact O-CA 3.17Å; N161-L165 WeakPolarHBondContact O-CB 3.33Å; N161-L165 PolarHBondContact O-N 2.83Å; N161-H173 PolarHBondContact ND2-CE1 3.33Å; N161-H173 PolarHBondContact ND2-ND1 3.49Å
162L87.6Confident85.7Confident91 Ų9153.5 Ų53.548%0.47630%0.296SS..Hα-helixtrans-66.4-29.6-179.7-170.764.4000113.1L158 L159 L160L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.93Å
163V85.8Confident86Confident106 Ų10648.9 Ų48.964%0.64228%0.276SS*.Hα-helixtrans-85.4-35.4177.4175.80000112.3L159 L160 N161L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 2.81Å; L160-V163 PolarHBondContact O-N 2.85Å; N161-V163 VanDerWaalsContact C-N 3.3Å; N161-V163 PolarHBondContact O-N 3.48Å
164L82.9Confident86.2Confident90 Ų9051 Ų5147%0.47128%0.284SS..Hα-helixtrans-90.2-22.9-177.7-89.762000114.1Y71 L160 N161 P166Y71-L164 HydrophobicContact CD2-CD2 3.68Å; Y71-L164 HydrophobicContact CE2-CD2 3.57Å; L160-L164 HydrophobicContact CD1-CD1 3.74Å; L160-L164 HydrophobicContact CD1-CD2 4.28Å; L160-L164 HydrophobicContact CG-CD1 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact O-N 2.91Å; L164-P166 VanDerWaalsContact C-CD 3.49Å
165L82.3Confident86.3Confident5 Ų551 Ų513%0.02628%0.284CS..  trans-13164.9-177.8-61.992.4000110.5Y71 N161 S167 T168Y71-L165 HydrophobicContact CD1-CD1 3.51Å; Y71-L165 HydrophobicContact CD1-CD2 4.34Å; Y71-L165 HydrophobicContact CD1-CG 4.5Å; Y71-L165 HydrophobicContact CE1-CD1 3.52Å; Y71-L165 HydrophobicContact CG-CD1 4.14Å; N161-L165 WeakPolarHBondContact O-CA 3.17Å; N161-L165 WeakPolarHBondContact O-CB 3.33Å; N161-L165 PolarHBondContact O-N 2.83Å; L165-S167 PolarHBondContact O-N 3.32Å; L165-S167 VanDerWaalsContact O-N 3.12Å; L165-T168 HydrophobicContact CB-CG2 4.05Å; L165-T168 WeakPolarHBondContact CB-OG1 3.45Å; L165-T168 HydrophobicContact CD2-CG2 4.23Å; L165-T168 PolarHBondContact O-N 3.33Å; L165-T168 PolarHBondContact O-OG1 2.97Å
166P71.8Confident86.5Confident106 Ų10647.3 Ų47.369%0.68827%0.27SS*.THydrogen-bonded Turntrans-61.6-19.3179.528-36.5000113L164 T168L164-P166 VanDerWaalsContact C-CD 3.49Å; P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.3Å
167S70.9Confident86.7Confident65 Ų6544.1 Ų44.146%0.45525%0.254SS..THydrogen-bonded Turntrans-74.3-4.3171.9410000114.3E65 L165E65-S167 PolarHBondContact OE1-OG 3.45Å; L165-S167 PolarHBondContact O-N 3.32Å; L165-S167 VanDerWaalsContact O-N 3.12Å
168T79.4Confident86.9Confident13 Ų1347 Ų478%0.0827%0.269CS..SBendtrans-110.4130178.763.90000112.6L165 P166 G170 H173L165-T168 HydrophobicContact CB-CG2 4.05Å; L165-T168 WeakPolarHBondContact CB-OG1 3.45Å; L165-T168 HydrophobicContact CD2-CG2 4.23Å; L165-T168 PolarHBondContact O-N 3.33Å; L165-T168 PolarHBondContact O-OG1 2.97Å; P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.3Å; T168-G170 PolarHBondContact O-N 3.3Å; T168-H173 PolarHBondContact OG1-NE2 3.07Å
169P84.6Confident87.2Confident29 Ų2945.8 Ų45.819%0.18826%0.262CS..  trans-69.6127.4-17324.1-32000112.7Y107 V121 L171 L172 H173Y107-P169 HydrophobicContact CE1-CB 4.34Å; Y107-P169 HydrophobicContact CE1-CG 3.74Å; Y107-P169 WeakPolarHBondContact OH-CB 3.34Å; Y107-P169 WeakPolarHBondContact OH-CG 3.42Å; V121-P169 HydrophobicContact CG2-CG 3.97Å; P169-L171 PolarHBondContact O-N 3.47Å; P169-L172 HydrophobicContact CG-CB 4.03Å; P169-L172 WeakPolarHBondContact O-CB 3.44Å; P169-L172 PolarHBondContact O-N 3.22Å; P169-H173 PolarHBondContact O-CD2 2.91Å
170G85.8Confident87.3Confident31 Ų3140.8 Ų40.832%0.3224%0.236SC..Hα-helixtrans-58.3-30.3-179.100000114.4T168 L172 H173 F174T168-G170 PolarHBondContact O-N 3.3Å; G170-L172 PolarHBondContact O-N 2.81Å; G170-H173 PolarHBondContact O-N 3.13Å; G170-F174 PolarHBondContact O-N 3.06Å
171L88.6Confident87.4Confident67 Ų6739.2 Ų39.235%0.35123%0.227SC..Hα-helixtrans-63.9-35.7175.4-71.9175.5000112.9Y107 P169 F174 C175Y107-L171 HydrophobicContact CD2-CB 4.11Å; Y107-L171 HydrophobicContact CE2-CB 3.55Å; Y107-L171 HydrophobicContact CE2-CD1 4.32Å; P169-L171 PolarHBondContact O-N 3.47Å; L171-F174 WeakPolarHBondContact O-CB 3.32Å; L171-F174 PolarHBondContact O-N 3.14Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.04Å; L171-C175 VanDerWaalsContact O-SG 3.34Å
172L91.1Very high87.7Confident6 Ų644.5 Ų44.53%0.03126%0.255CS..Hα-helixtrans-66-40.1175.1179.772.3000111.3L103 Y107 V121 A126 P169 G170 F174 C175 A176L103-L172 HydrophobicContact CB-CD1 4.2Å; L103-L172 HydrophobicContact CD2-CD1 3.83Å; L103-L172 HydrophobicContact CD2-CG 4.37Å; Y107-L172 HydrophobicContact CD1-CB 4.07Å; Y107-L172 HydrophobicContact CD1-CD1 3.8Å; Y107-L172 HydrophobicContact CD1-CG 4.45Å; Y107-L172 HydrophobicContact CE1-CB 4.22Å; Y107-L172 HydrophobicContact CG-CB 4.23Å; Y107-L172 HydrophobicContact CG-CD1 3.96Å; V121-L172 HydrophobicContact CB-CD2 4.42Å; V121-L172 HydrophobicContact CG1-CD2 3.42Å; V121-L172 VanDerWaalsContact CG1-CD2 3.42Å; V121-L172 HydrophobicContact CG2-CD2 4.09Å; A126-L172 HydrophobicContact CB-CD2 3.95Å; A126-L172 HydrophobicContact CB-CG 3.83Å; P169-L172 HydrophobicContact CG-CB 4.03Å; P169-L172 WeakPolarHBondContact O-CB 3.44Å; P169-L172 PolarHBondContact O-N 3.22Å; G170-L172 PolarHBondContact O-N 2.81Å; L172-F174 VanDerWaalsContact C-N 3.32Å; L172-C175 WeakPolarHBondContact O-CB 3.26Å; L172-C175 PolarHBondContact O-N 3.24Å; L172-A176 PolarHBondContact O-N 2.78Å
173H92.3Very high87.9Confident1 Ų140.6 Ų40.61%0.00523%0.234CC..Hα-helixtrans-67.3-32.8173.8-67.1-76.1000112.1S125 L129 L158 N161 T168 P169 G170 A176 I177S125-H173 PolarHBondContact OG-CE1 3.03Å; L129-H173 HydrophobicContact CD2-CB 3.74Å; L129-H173 WeakPolarHBondContact CD2-O 3.47Å; L158-H173 HydrophobicContact CD1-CB 3.32Å; N161-H173 PolarHBondContact ND2-CE1 3.33Å; N161-H173 PolarHBondContact ND2-ND1 3.49Å; T168-H173 PolarHBondContact OG1-NE2 3.07Å; P169-H173 PolarHBondContact O-CD2 2.91Å; G170-H173 PolarHBondContact O-N 3.13Å; H173-A176 WeakPolarHBondContact O-CB 3.38Å; H173-A176 PolarHBondContact O-N 3.4Å; H173-I177 WeakPolarHBondContact O-CG1 3.18Å; H173-I177 PolarHBondContact O-N 3.17Å
174F91.6Very high88.1Confident78 Ų7842.8 Ų42.834%0.34223%0.231SC..Hα-helixtrans-65.3-44.2170-176.8-102.8000111.7W155 G170 L171 L172 A176 I177 L178W155-F174 HydrophobicContact CH2-CD2 4.38Å; W155-F174 HydrophobicContact CH2-CE2 4.02Å; W155-F174 HydrophobicContact CZ3-CD2 4.19Å; W155-F174 HydrophobicContact CZ3-CE2 4.17Å; G170-F174 PolarHBondContact O-N 3.06Å; L171-F174 WeakPolarHBondContact O-CB 3.32Å; L171-F174 PolarHBondContact O-N 3.14Å; L172-F174 VanDerWaalsContact C-N 3.32Å; F174-A176 VanDerWaalsContact C-N 3.28Å; F174-A176 PolarHBondContact O-N 3.42Å; F174-I177 WeakPolarHBondContact O-CB 3Å; F174-I177 PolarHBondContact O-N 2.95Å; F174-I177 VanDerWaalsContact O-N 3.12Å; F174-L178 HydrophobicContact CD1-CD1 4.09Å; F174-L178 HydrophobicContact CD1-CG 4.47Å; F174-L178 HydrophobicContact CE1-CD1 3.75Å; F174-L178 HydrophobicContact CE1-CG 4.23Å; F174-L178 HydrophobicContact CZ-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CD2 4.43Å; F174-L178 PolarHBondContact O-N 3.48Å; F174-L178 VanDerWaalsContact O-N 3.1Å
175C92.8Very high88.4Confident2 Ų242.5 Ų42.51%0.01423%0.234CC..Hα-helixtrans-56.2-40.7171.4-68.60000112.2L103 L171 L172 I177 L178 I179L103-C175 HydrophobicContact CD2-CB 4.12Å; L171-C175 PolarHBondContact O-N 3.11Å; L171-C175 PolarHBondContact O-SG 3.04Å; L171-C175 VanDerWaalsContact O-SG 3.34Å; L172-C175 WeakPolarHBondContact O-CB 3.26Å; L172-C175 PolarHBondContact O-N 3.24Å; C175-I177 PolarHBondContact O-N 2.88Å; C175-L178 WeakPolarHBondContact O-CB 3.5Å; C175-L178 PolarHBondContact O-N 2.98Å; C175-L178 VanDerWaalsContact O-N 3.16Å; C175-I179 VanDerWaalsContact O-CG1 3.28Å; C175-I179 WeakPolarHBondContact O-CG1 3.33Å; C175-I179 PolarHBondContact O-N 3.24Å
176A94.5Very high88.7Confident0 Ų046.3 Ų46.30%026%0.261CS..Hα-helixtrans-58.9-43.1174.800000113L103 A126 L129 A130 L172 H173 F174 L178 I179 G180L103-A176 HydrophobicContact CD2-CB 3.98Å; A126-A176 HydrophobicContact CB-CB 4.22Å; A126-A176 WeakPolarHBondContact O-CB 3.36Å; L129-A176 HydrophobicContact CB-CB 4.29Å; L129-A176 HydrophobicContact CD2-CB 4.28Å; L129-A176 HydrophobicContact CG-CB 4.26Å; A130-A176 WeakPolarHBondContact CA-O 3.25Å; A130-A176 HydrophobicContact CB-CB 3.95Å; A130-A176 WeakPolarHBondContact CB-O 3.31Å; L172-A176 PolarHBondContact O-N 2.78Å; H173-A176 WeakPolarHBondContact O-CB 3.38Å; H173-A176 PolarHBondContact O-N 3.4Å; F174-A176 VanDerWaalsContact C-N 3.28Å; F174-A176 PolarHBondContact O-N 3.42Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 2.73Å; A176-G180 PolarHBondContact O-N 2.96Å
177I94.3Very high89.6Confident2 Ų245.1 Ų45.11%0.0125%0.245CC..Hα-helixtrans-61-42.8174.9-63.4172.5000110.5L129 T133 W155 L158 H173 F174 C175 H181L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CG1 4.1Å; L129-I177 HydrophobicContact CG-CG1 4.24Å; T133-I177 HydrophobicContact CG2-CB 4.23Å; T133-I177 HydrophobicContact CG2-CG1 3.93Å; T133-I177 HydrophobicContact CG2-CG2 4.35Å; W155-I177 HydrophobicContact CD2-CD1 4.34Å; W155-I177 HydrophobicContact CE3-CD1 3.94Å; W155-I177 HydrophobicContact CH2-CD1 4.44Å; W155-I177 HydrophobicContact CH2-CG2 4.27Å; W155-I177 HydrophobicContact CZ2-CG2 4.13Å; W155-I177 HydrophobicContact CZ3-CD1 3.99Å; L158-I177 HydrophobicContact CB-CD1 4.12Å; L158-I177 HydrophobicContact CD2-CD1 3.88Å; L158-I177 HydrophobicContact CG-CD1 4.42Å; H173-I177 WeakPolarHBondContact O-CG1 3.18Å; H173-I177 PolarHBondContact O-N 3.17Å; F174-I177 WeakPolarHBondContact O-CB 3Å; F174-I177 PolarHBondContact O-N 2.95Å; F174-I177 VanDerWaalsContact O-N 3.12Å; C175-I177 PolarHBondContact O-N 2.88Å; I177-H181 WeakPolarHBondContact CG2-ND1 3.37Å; I177-H181 WeakPolarHBondContact O-CB 3.32Å; I177-H181 PolarHBondContact O-N 3.3Å; I177-H181 PolarHBondContact O-ND1 2.95Å
178L93.1Very high90.4Very high77 Ų7742.1 Ų42.140%0.40322%0.224SC..Hα-helixtrans-64.7-42.4177.3-63178.9000112.5F174 C175 A176 H181 N182F174-L178 HydrophobicContact CD1-CD1 4.09Å; F174-L178 HydrophobicContact CD1-CG 4.47Å; F174-L178 HydrophobicContact CE1-CD1 3.75Å; F174-L178 HydrophobicContact CE1-CG 4.23Å; F174-L178 HydrophobicContact CZ-CD1 4.46Å; F174-L178 HydrophobicContact CZ-CD2 4.43Å; F174-L178 PolarHBondContact O-N 3.48Å; F174-L178 VanDerWaalsContact O-N 3.1Å; C175-L178 WeakPolarHBondContact O-CB 3.5Å; C175-L178 PolarHBondContact O-N 2.98Å; C175-L178 VanDerWaalsContact O-N 3.16Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 2.9Å; L178-H181 PolarHBondContact O-N 3.19Å; L178-N182 PolarHBondContact O-N 3.38Å; L178-N182 VanDerWaalsContact O-N 3.09Å; L178-N182 PolarHBondContact O-ND2 2.9Å
179I94.6Very high90.8Very high7 Ų742.4 Ų42.44%0.03623%0.23CC..Hα-helixtrans-63-50.9179.5-69.1162.2000110.7L102 L103 L106 C175 A176 H181 N182 Y183L102-I179 HydrophobicContact CB-CD1 4.26Å; L103-I179 HydrophobicContact CB-CD1 4.36Å; L103-I179 HydrophobicContact CD2-CD1 3.62Å; L103-I179 HydrophobicContact CG-CD1 3.63Å; L106-I179 HydrophobicContact CD1-CD1 3.71Å; L106-I179 HydrophobicContact CD1-CG1 3.54Å; C175-I179 VanDerWaalsContact O-CG1 3.28Å; C175-I179 WeakPolarHBondContact O-CG1 3.33Å; C175-I179 PolarHBondContact O-N 3.24Å; A176-I179 PolarHBondContact O-N 2.73Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.75Å; I179-N182 WeakPolarHBondContact O-CA 3.27Å; I179-N182 WeakPolarHBondContact O-CB 3.22Å; I179-N182 PolarHBondContact O-N 3.39Å; I179-Y183 HydrophobicContact CG2-CE1 4.1Å; I179-Y183 HydrophobicContact CG2-CE2 4Å; I179-Y183 WeakPolarHBondContact CG2-OH 3.38Å; I179-Y183 PolarHBondContact O-N 2.95Å
180G93.3Very high91Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-71.9-25179.900000114.1A130 T133 A176 N182 Y183A130-G180 WeakPolarHBondContact O-CA 3.47Å; T133-G180 WeakPolarHBondContact OG1-CA 3.3Å; A176-G180 PolarHBondContact O-N 2.96Å; G180-N182 PolarHBondContact O-N 3.15Å; G180-Y183 PolarHBondContact O-N 3.14Å
181H91.2Very high91.1Very high48 Ų4844.2 Ų44.222%0.22223%0.233CC..Hα-helixtrans-67.2-23164.3-83.683.2000113.1R137 W151 I177 L178 I179R137-H181 PolarHBondContact NH1-O 3.03Å; R137-H181 PolarHBondContact NH2-O 2.91Å; W151-H181 AromaticContact CD1-NE2 3.67Å; W151-H181 AromaticContact NE1-CE1 3.9Å; W151-H181 AromaticContact NE1-NE2 3Å; W151-H181 PolarHBondContact NE1-NE2 3.45Å; I177-H181 WeakPolarHBondContact CG2-ND1 3.37Å; I177-H181 WeakPolarHBondContact O-CB 3.32Å; I177-H181 PolarHBondContact O-N 3.3Å; I177-H181 PolarHBondContact O-ND1 2.95Å; L178-H181 PolarHBondContact O-N 3.19Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.75Å
182N93Very high91.1Very high111 Ų11142 Ų4259%0.59422%0.221SC*.Hα-helixtrans-81.7-22.5173.1-84.1-74.7000113.3L178 I179 G180 R184L178-N182 PolarHBondContact O-N 3.38Å; L178-N182 VanDerWaalsContact O-N 3.09Å; L178-N182 PolarHBondContact O-ND2 2.9Å; I179-N182 WeakPolarHBondContact O-CA 3.27Å; I179-N182 WeakPolarHBondContact O-CB 3.22Å; I179-N182 PolarHBondContact O-N 3.39Å; G180-N182 PolarHBondContact O-N 3.15Å; N182-R184 PolarHBondContact O-N 3.06Å
183Y92.2Very high90.8Very high9 Ų948.4 Ų48.44%0.03525%0.249CC..  trans-66.194.9172.9-62.2-25.3000111.9L95 L98 S99 A134 R137 I179 G180 F187L95-Y183 HydrophobicContact CD2-CD1 4.1Å; L95-Y183 HydrophobicContact CD2-CD2 3.71Å; L95-Y183 HydrophobicContact CD2-CE1 4.19Å; L95-Y183 HydrophobicContact CD2-CE2 3.8Å; L95-Y183 HydrophobicContact CD2-CG 3.87Å; L98-Y183 HydrophobicContact CD2-CE1 3.74Å; L98-Y183 HydrophobicContact CG-CE1 4.38Å; S99-Y183 PolarHBondContact N-OH 3.46Å; S99-Y183 PolarHBondContact OG-OH 3.12Å; S99-Y183 VanDerWaalsContact OG-OH 3.06Å; A134-Y183 HydrophobicContact CB-CD2 4.02Å; R137-Y183 VanDerWaalsContact NH1-C 3.25Å; R137-Y183 PolarHBondContact NH1-O 3.39Å; I179-Y183 HydrophobicContact CG2-CE1 4.1Å; I179-Y183 HydrophobicContact CG2-CE2 4Å; I179-Y183 WeakPolarHBondContact CG2-OH 3.38Å; I179-Y183 PolarHBondContact O-N 2.95Å; G180-Y183 PolarHBondContact O-N 3.14Å; Y183-F187 HydrophobicContact CD1-CD1 4.05Å; Y183-F187 HydrophobicContact CD1-CE1 4Å; Y183-F187 HydrophobicContact CE1-CE1 4.16Å
184R90.3Very high90.3Very high151 Ų15150.8 Ų50.857%0.5726%0.261SS*.  trans-79.6150.3176.8-64.8-178.8-172.3-153.81.3110.4N182 S186 F187 I188N182-R184 PolarHBondContact O-N 3.06Å; R184-S186 PolarHBondContact O-N 2.95Å; R184-F187 WeakPolarHBondContact O-CB 3.37Å; R184-F187 PolarHBondContact O-N 3.28Å; R184-I188 PolarHBondContact O-N 3.34Å; R184-I188 VanDerWaalsContact O-N 3.12Å
185P88.6Confident89.7Confident85 Ų8548 Ų4855%0.55225%0.249SC*.Hα-helixtrans-54.8-34.9175-26.435000113.5I188 G189P185-I188 PolarHBondContact O-N 2.99Å; P185-G189 PolarHBondContact O-N 3.41Å
186S89.1Confident88.8Confident85 Ų8553.7 Ų53.759%0.59428%0.279SS*.Hα-helixtrans-63.1-42174.949.90000113.2R184 G189 V190R184-S186 PolarHBondContact O-N 2.95Å; S186-G189 CarbonylContact O-C 3.56Å; S186-G189 PolarHBondContact O-N 3.46Å; S186-V190 PolarHBondContact O-N 3.04Å; S186-V190 VanDerWaalsContact O-N 3.11Å
187F89.6Confident87.8Confident80 Ų8060.1 Ų60.135%0.35131%0.312SS..Hα-helixtrans-66.6-42.8177.2177.7-106000111.6L95 L98 Y183 R184 G189 V190 L191L95-F187 HydrophobicContact CD2-CE1 4.21Å; L98-F187 HydrophobicContact CD2-CE1 3.6Å; L98-F187 HydrophobicContact CD2-CZ 3.51Å; Y183-F187 HydrophobicContact CD1-CD1 4.05Å; Y183-F187 HydrophobicContact CD1-CE1 4Å; Y183-F187 HydrophobicContact CE1-CE1 4.16Å; R184-F187 WeakPolarHBondContact O-CB 3.37Å; R184-F187 PolarHBondContact O-N 3.28Å; F187-G189 VanDerWaalsContact C-N 3.26Å; F187-G189 PolarHBondContact O-N 3.19Å; F187-V190 WeakPolarHBondContact O-CA 3.49Å; F187-V190 WeakPolarHBondContact O-CB 3.28Å; F187-V190 PolarHBondContact O-N 2.87Å; F187-L191 HydrophobicContact CD1-CD1 4.29Å; F187-L191 HydrophobicContact CE1-CD1 3.71Å; F187-L191 HydrophobicContact CE1-CG 4.19Å; F187-L191 HydrophobicContact CZ-CD1 4.16Å; F187-L191 HydrophobicContact CZ-CD2 4.25Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 PolarHBondContact O-N 2.89Å; F187-L191 VanDerWaalsContact O-N 3.08Å
188I88.7Confident86.4Confident3 Ų360.6 Ų60.62%0.01532%0.317CS..Hα-helixtrans-63.7-36174.8-66.1176.5000110.5W87 L95 R184 P185 V190 L191 Q192W87-I188 HydrophobicContact CG-CG2 4.2Å; W87-I188 HydrophobicContact CZ2-CD1 4.48Å; L95-I188 HydrophobicContact CD1-CD1 3.9Å; L95-I188 HydrophobicContact CD1-CG1 3.95Å; L95-I188 HydrophobicContact CD1-CG2 4.49Å; L95-I188 HydrophobicContact CD2-CD1 4.4Å; L95-I188 HydrophobicContact CD2-CG1 4.06Å; R184-I188 PolarHBondContact O-N 3.34Å; R184-I188 VanDerWaalsContact O-N 3.12Å; P185-I188 PolarHBondContact O-N 2.99Å; I188-V190 VanDerWaalsContact C-N 3.25Å; I188-V190 PolarHBondContact O-N 3.31Å; I188-L191 PolarHBondContact O-N 3.18Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.27Å; I188-Q192 WeakPolarHBondContact O-CG 3.36Å; I188-Q192 PolarHBondContact O-N 2.95Å
189G87.5Confident85.1Confident19 Ų1961.7 Ų61.720%0.19632%0.323CS..Hα-helixtrans-65.5-17.8169.700000115.4P185 S186 F187 K193P185-G189 PolarHBondContact O-N 3.41Å; S186-G189 CarbonylContact O-C 3.56Å; S186-G189 PolarHBondContact O-N 3.46Å; F187-G189 VanDerWaalsContact C-N 3.26Å; F187-G189 PolarHBondContact O-N 3.19Å; G189-K193 WeakPolarHBondContact O-CG 3.32Å
190V89.1Confident83.6Confident80 Ų8063 Ų6349%0.48533%0.328SS..Hα-helixtrans-81.9-44.7168.7174.90000110.3S186 F187 I188 Q192 K193 I194S186-V190 PolarHBondContact O-N 3.04Å; S186-V190 VanDerWaalsContact O-N 3.11Å; F187-V190 WeakPolarHBondContact O-CA 3.49Å; F187-V190 WeakPolarHBondContact O-CB 3.28Å; F187-V190 PolarHBondContact O-N 2.87Å; I188-V190 VanDerWaalsContact C-N 3.25Å; I188-V190 PolarHBondContact O-N 3.31Å; V190-Q192 VanDerWaalsContact C-N 3.25Å; V190-Q192 PolarHBondContact O-N 3.48Å; V190-K193 WeakPolarHBondContact O-CA 3.48Å; V190-K193 WeakPolarHBondContact O-CB 3.42Å; V190-K193 PolarHBondContact O-N 3.4Å; V190-I194 PolarHBondContact O-N 3.01Å
191L88.4Confident82.3Confident17 Ų1769.2 Ų69.29%0.08936%0.361CS..Hα-helixtrans-60.1-37.1175-61.9-179.9000112A91 A94 L95 F187 I188 K193 I194A91-L191 HydrophobicContact CB-CB 4.13Å; A94-L191 HydrophobicContact CB-CD1 4.24Å; A94-L191 HydrophobicContact CB-CD2 4.22Å; L95-L191 HydrophobicContact CD2-CD1 3.53Å; L95-L191 HydrophobicContact CG-CD1 3.63Å; F187-L191 HydrophobicContact CD1-CD1 4.29Å; F187-L191 HydrophobicContact CE1-CD1 3.71Å; F187-L191 HydrophobicContact CE1-CG 4.19Å; F187-L191 HydrophobicContact CZ-CD1 4.16Å; F187-L191 HydrophobicContact CZ-CD2 4.25Å; F187-L191 HydrophobicContact CZ-CG 4.27Å; F187-L191 PolarHBondContact O-N 2.89Å; F187-L191 VanDerWaalsContact O-N 3.08Å; I188-L191 PolarHBondContact O-N 3.18Å; L191-K193 PolarHBondContact O-N 3.29Å; L191-I194 HydrophobicContact CD2-CD1 3.8Å; L191-I194 WeakPolarHBondContact O-CB 3.44Å; L191-I194 PolarHBondContact O-N 3.35Å; L191-I194 VanDerWaalsContact O-N 3.15Å
192Q87.6Confident81.1Confident22 Ų2276 Ų7610%0.10339%0.391CS..Hα-helixtrans-63.7-23.2172.1-76.5173.4-27.700114.1W87 A91 I188 V190 N196 Y211W87-Q192 WeakPolarHBondContact O-CG 3.45Å; W87-Q192 PolarHBondContact O-NE2 3.24Å; A91-Q192 HydrophobicContact CB-CG 3.78Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.27Å; I188-Q192 WeakPolarHBondContact O-CG 3.36Å; I188-Q192 PolarHBondContact O-N 2.95Å; V190-Q192 VanDerWaalsContact C-N 3.25Å; V190-Q192 PolarHBondContact O-N 3.48Å; Q192-N196 PolarHBondContact O-ND2 3.35Å; Q192-Y211 HydrophobicContact CB-CD1 3.8Å; Q192-Y211 HydrophobicContact CB-CD2 3.81Å; Q192-Y211 HydrophobicContact CB-CE1 3.94Å; Q192-Y211 HydrophobicContact CB-CE2 3.97Å; Q192-Y211 HydrophobicContact CB-CG 3.75Å; Q192-Y211 HydrophobicContact CG-CD1 4.47Å; Q192-Y211 HydrophobicContact CG-CD2 3.58Å; Q192-Y211 HydrophobicContact CG-CE2 3.9Å; Q192-Y211 HydrophobicContact CG-CG 3.93Å; Q192-Y211 WeakPolarHBondContact O-CD1 3.25Å; Q192-Y211 VanDerWaalsContact OE1-CE2 3.28Å
193K85.1Confident80Confident139 Ų13973.6 Ų73.660%0.60438%0.378SS*.Hα-helixtrans-76.1-27.3173.9-73172.6-177.6-174.60112.5G189 V190 L191 E195 N196G189-K193 WeakPolarHBondContact O-CG 3.32Å; V190-K193 WeakPolarHBondContact O-CA 3.48Å; V190-K193 WeakPolarHBondContact O-CB 3.42Å; V190-K193 PolarHBondContact O-N 3.4Å; L191-K193 PolarHBondContact O-N 3.29Å; K193-E195 PolarHBondContact O-N 3.26Å; K193-N196 WeakPolarHBondContact CA-ND2 3.35Å; K193-N196 WeakPolarHBondContact O-CB 3.35Å; K193-N196 PolarHBondContact O-N 2.95Å; K193-N196 PolarHBondContact O-ND2 3.5Å
194I82.1Confident78.9Confident52 Ų5276.1 Ų76.127%0.26740%0.395SS..Hα-helixtrans-59.5-31-179.6-58.6177.2000111.5V190 L191 N196 I197 I199V190-I194 PolarHBondContact O-N 3.01Å; L191-I194 HydrophobicContact CD2-CD1 3.8Å; L191-I194 WeakPolarHBondContact O-CB 3.44Å; L191-I194 PolarHBondContact O-N 3.35Å; L191-I194 VanDerWaalsContact O-N 3.15Å; I194-N196 PolarHBondContact O-N 3.47Å; I194-I197 HydrophobicContact CG2-CD1 4.38Å; I194-I197 VanDerWaalsContact O-CB 3.26Å; I194-I197 WeakPolarHBondContact O-CB 3.3Å; I194-I197 PolarHBondContact O-N 2.97Å; I194-I199 HydrophobicContact CG2-CD1 3.58Å
195E78.9Confident77.8Confident19 Ų1973.8 Ų73.89%0.08939%0.394CS..G310 helixtrans-55.7-38.8174.6-168.3170.3137.600112.6V90 K193 I197 G198 P210 Y211V90-E195 HydrophobicContact CB-CB 4.21Å; V90-E195 HydrophobicContact CB-CG 4.46Å; V90-E195 HydrophobicContact CG2-CB 3.87Å; V90-E195 HydrophobicContact CG2-CG 3.63Å; K193-E195 PolarHBondContact O-N 3.26Å; E195-I197 PolarHBondContact O-N 3.24Å; E195-G198 PolarHBondContact O-N 3.33Å; E195-P210 VanDerWaalsContact OE1-CA 3.22Å; E195-P210 WeakPolarHBondContact OE1-CA 3.45Å; E195-P210 WeakPolarHBondContact OE1-CB 3.27Å; E195-Y211 VanDerWaalsContact CD-N 3.32Å; E195-Y211 PolarHBondContact OE1-N 3.45Å; E195-Y211 VanDerWaalsContact OE2-CB 3.31Å; E195-Y211 WeakPolarHBondContact OE2-CB 3.25Å; E195-Y211 PolarHBondContact OE2-N 3.18Å
196N73.8Confident76.8Confident122 Ų12278.8 Ų78.865%0.65240%0.402SS*.G310 helixtrans-71.4-8.9177.8-49.2-93.7000113.6Q192 K193 I194 G198Q192-N196 PolarHBondContact O-ND2 3.35Å; K193-N196 WeakPolarHBondContact CA-ND2 3.35Å; K193-N196 WeakPolarHBondContact O-CB 3.35Å; K193-N196 PolarHBondContact O-N 2.95Å; K193-N196 PolarHBondContact O-ND2 3.5Å; I194-N196 PolarHBondContact O-N 3.47Å; N196-G198 PolarHBondContact O-N 3.21Å
197I72.8Confident76Confident135 Ų13575.4 Ų75.469%0.69238%0.379SS*.G310 helixtrans-78-9.4172.5-51.7178.3000110.2I194 E195I194-I197 HydrophobicContact CG2-CD1 4.38Å; I194-I197 VanDerWaalsContact O-CB 3.26Å; I194-I197 WeakPolarHBondContact O-CB 3.3Å; I194-I197 PolarHBondContact O-N 2.97Å; E195-I197 PolarHBondContact O-N 3.24Å
198G65.1Low75.4Confident11 Ų1172.4 Ų72.411%0.11337%0.365CS..THydrogen-bonded Turntrans95.915.3164.900000115.7E195 N196 F200 N201E195-G198 PolarHBondContact O-N 3.33Å; N196-G198 PolarHBondContact O-N 3.21Å; G198-F200 PolarHBondContact O-N 2.97Å; G198-N201 WeakPolarHBondContact CA-ND2 3.33Å; G198-N201 VanDerWaalsContact CA-OD1 3.32Å; G198-N201 WeakPolarHBondContact CA-OD1 3.24Å; G198-N201 WeakPolarHBondContact O-CB 3.42Å; G198-N201 PolarHBondContact O-N 3.15Å
199I65.6Low74.8Confident101 Ų10172.3 Ų72.352%0.51837%0.365SS..THydrogen-bonded Turntrans-53.9-30179.2-56.9-176.4000112I194I194-I199 HydrophobicContact CG2-CD1 3.58Å
200F63.9Low74.1Confident33 Ų3371.6 Ų71.615%0.14536%0.357CS..THydrogen-bonded Turntrans-109.412.4-179.7-72.2-94.4000114.1L21 V90 G198 F202 L203 Y208L21-F200 HydrophobicContact CD2-CE1 4.2Å; V90-F200 HydrophobicContact CB-CE2 4.41Å; V90-F200 HydrophobicContact CG1-CE2 4.36Å; V90-F200 HydrophobicContact CG2-CD2 3.43Å; V90-F200 VanDerWaalsContact CG2-CD2 3.43Å; V90-F200 HydrophobicContact CG2-CE2 3.57Å; V90-F200 HydrophobicContact CG2-CG 4.3Å; G198-F200 PolarHBondContact O-N 2.97Å; F200-F202 PolarHBondContact O-N 3.45Å; F200-L203 HydrophobicContact CD1-CD1 4.11Å; F200-L203 HydrophobicContact CD1-CD2 4.15Å; F200-L203 HydrophobicContact CE1-CD2 4.5Å; F200-L203 PolarHBondContact O-N 3.36Å; F200-Y208 HydrophobicContact CB-CE1 4.3Å; F200-Y208 HydrophobicContact CB-CE2 4.24Å
201N65Low73.1Confident131 Ų13171 Ų7170%0.70135%0.346SS*.THydrogen-bonded Turntrans-61.1-14.4179-75.1-0.9000114.3G198G198-N201 WeakPolarHBondContact CA-ND2 3.33Å; G198-N201 VanDerWaalsContact CA-OD1 3.32Å; G198-N201 WeakPolarHBondContact CA-OD1 3.24Å; G198-N201 WeakPolarHBondContact O-CB 3.42Å; G198-N201 PolarHBondContact O-N 3.15Å
202F67.2Low71.9Confident191 Ų19176.1 Ų76.184%0.83837%0.365SS*.THydrogen-bonded Turntrans-89.8-11.1175.7-59.3-77.2000113.6F200F200-F202 PolarHBondContact O-N 3.45Å
203L69.8Low70.1Confident61 Ų6177.5 Ų77.532%0.31938%0.378SS..SBendtrans-101.7136.4177.9-77.981.5000109.7L21 F200 A207 Y208L21-L203 HydrophobicContact CD2-CD2 3.5Å; F200-L203 HydrophobicContact CD1-CD1 4.11Å; F200-L203 HydrophobicContact CD1-CD2 4.15Å; F200-L203 HydrophobicContact CE1-CD2 4.5Å; F200-L203 PolarHBondContact O-N 3.36Å; L203-A207 HydrophobicContact CD2-CB 4.47Å; L203-Y208 HydrophobicContact CB-CD1 4.04Å; L203-Y208 HydrophobicContact CB-CE1 4.19Å
204P68.8Low68.4Low62 Ų6280.9 Ų80.940%0.40339%0.387SS..  trans-71.9152177.231.2-35.6000111.3W206 A207P204-W206 HydrophobicContact CG-CD2 4.15Å; P204-W206 VanDerWaalsContact CG-CE2 3.45Å; P204-W206 HydrophobicContact CG-CG 4.45Å; P204-W206 HydrophobicContact CG-CZ2 3.68Å; P204-W206 PolarHBondContact O-N 3.22Å; P204-A207 HydrophobicContact CG-CB 3.99Å; P204-A207 WeakPolarHBondContact O-CB 3.41Å; P204-A207 PolarHBondContact O-N 3.01Å
205D66.8Low66.5Low102 Ų10285.9 Ų85.955%0.54541%0.413SS..THydrogen-bonded Turntrans-57.1-16.6-172.4-66.2-11.1000115.9
206W67.5Low64.7Low190 Ų19094.9 Ų94.972%0.7245%0.446SS*.THydrogen-bonded Turntrans-83.5-23.1174.360-100.8000113.6F19 P204 Y208F19-W206 WeakPolarHBondContact CB-O 3.37Å; F19-W206 PolarHBondContact N-O 3.28Å; P204-W206 HydrophobicContact CG-CD2 4.15Å; P204-W206 VanDerWaalsContact CG-CE2 3.45Å; P204-W206 HydrophobicContact CG-CG 4.45Å; P204-W206 HydrophobicContact CG-CZ2 3.68Å; P204-W206 PolarHBondContact O-N 3.22Å; W206-Y208 PolarHBondContact O-N 3Å
207A73.6Confident63Low13 Ų1395.5 Ų95.511%0.10745%0.449CS..SBendtrans-82.2-10.2-169.600000114.1L21 L203 P204L21-A207 WeakPolarHBondContact CB-O 3.38Å; L203-A207 HydrophobicContact CD2-CB 4.47Å; P204-A207 HydrophobicContact CG-CB 3.99Å; P204-A207 WeakPolarHBondContact O-CB 3.41Å; P204-A207 PolarHBondContact O-N 3.01Å
208Y75.4Confident61.3Low18 Ų1893.9 Ų93.97%0.07145%0.447CS..SBendtrans-143178.4175.467.4-76.8000110G18 F19 F200 L203 W206 P210G18-Y208 VanDerWaalsContact CA-O 3.24Å; G18-Y208 WeakPolarHBondContact CA-O 3.32Å; F19-Y208 CarbonylContact O-C 3.56Å; F19-Y208 WeakPolarHBondContact O-CA 3.26Å; F200-Y208 HydrophobicContact CB-CE1 4.3Å; F200-Y208 HydrophobicContact CB-CE2 4.24Å; L203-Y208 HydrophobicContact CB-CD1 4.04Å; L203-Y208 HydrophobicContact CB-CE1 4.19Å; W206-Y208 PolarHBondContact O-N 3Å; Y208-P210 HydrophobicContact CD2-CB 4.49Å; Y208-P210 HydrophobicContact CD2-CG 4.16Å; Y208-P210 HydrophobicContact CE2-CB 3.89Å; Y208-P210 HydrophobicContact CE2-CG 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å
209V76.9Confident60Low0 Ų098.7 Ų98.70%047%0.474CS..  trans-104.5106173.1-176.30000109.9R16 F19 F20 E84 G88 T89R16-V209 HydrophobicContact CB-CG1 3.84Å; F19-V209 WeakPolarHBondContact O-CG2 3.42Å; F20-V209 HydrophobicContact CD1-CG2 4.2Å; E84-V209 HydrophobicContact CG-CB 4.24Å; E84-V209 HydrophobicContact CG-CG2 4.16Å; G88-V209 WeakPolarHBondContact CA-O 3.49Å; T89-V209 PolarHBondContact N-O 3.04Å; T89-V209 PolarHBondContact OG1-N 3.04Å; T89-V209 PolarHBondContact OG1-O 3.19Å
210P72.2Confident58.8Low5 Ų5103.5 Ų103.53%0.03249%0.487CS..  trans-75.7153.2-173.9-17.832.6000114.2R16 E195 Y208 Y212R16-P210 VanDerWaalsContact CZ-O 3.31Å; R16-P210 PolarHBondContact NH1-O 3.28Å; E195-P210 VanDerWaalsContact OE1-CA 3.22Å; E195-P210 WeakPolarHBondContact OE1-CA 3.45Å; E195-P210 WeakPolarHBondContact OE1-CB 3.27Å; Y208-P210 HydrophobicContact CD2-CB 4.49Å; Y208-P210 HydrophobicContact CD2-CG 4.16Å; Y208-P210 HydrophobicContact CE2-CB 3.89Å; Y208-P210 HydrophobicContact CE2-CG 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; P210-Y212 HydrophobicContact CB-CD2 4.1Å; P210-Y212 HydrophobicContact CB-CE1 4.43Å; P210-Y212 HydrophobicContact CB-CE2 3.72Å; P210-Y212 HydrophobicContact CG-CE2 3.74Å; P210-Y212 PolarHBondContact O-N 3.34Å; P210-Y212 VanDerWaalsContact O-N 3.14Å
211Y69.3Low57.2Low66 Ų66108.8 Ų108.826%0.25952%0.517SS..  trans-79.673.9162.4-176.8-104.7000111.5Q192 E195 S213Q192-Y211 HydrophobicContact CB-CD1 3.8Å; Q192-Y211 HydrophobicContact CB-CD2 3.81Å; Q192-Y211 HydrophobicContact CB-CE1 3.94Å; Q192-Y211 HydrophobicContact CB-CE2 3.97Å; Q192-Y211 HydrophobicContact CB-CG 3.75Å; Q192-Y211 HydrophobicContact CG-CD1 4.47Å; Q192-Y211 HydrophobicContact CG-CD2 3.58Å; Q192-Y211 HydrophobicContact CG-CE2 3.9Å; Q192-Y211 HydrophobicContact CG-CG 3.93Å; Q192-Y211 WeakPolarHBondContact O-CD1 3.25Å; Q192-Y211 VanDerWaalsContact OE1-CE2 3.28Å; E195-Y211 VanDerWaalsContact CD-N 3.32Å; E195-Y211 PolarHBondContact OE1-N 3.45Å; E195-Y211 VanDerWaalsContact OE2-CB 3.31Å; E195-Y211 WeakPolarHBondContact OE2-CB 3.25Å; E195-Y211 PolarHBondContact OE2-N 3.18Å; Y211-S213 PolarHBondContact O-N 3.05Å
212Y62Low55.9Low125 Ų125109.2 Ų109.249%0.4953%0.525SS..  trans-66.4115.8158.3-59.5-66.6000109.5R16 P210R16-Y212 PolarHBondContact NH2-O 2.86Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; P210-Y212 HydrophobicContact CB-CD2 4.1Å; P210-Y212 HydrophobicContact CB-CE1 4.43Å; P210-Y212 HydrophobicContact CB-CE2 3.72Å; P210-Y212 HydrophobicContact CG-CE2 3.74Å; P210-Y212 PolarHBondContact O-N 3.34Å; P210-Y212 VanDerWaalsContact O-N 3.14Å
213S50.1Low54.5Low52 Ų52104.6 Ų104.636%0.36452%0.516SS..  trans-67.3127.7169.857.30000109.3Y211 L215 R216Y211-S213 PolarHBondContact O-N 3.05Å; S213-L215 PolarHBondContact O-N 2.89Å; S213-R216 PolarHBondContact O-N 3.32Å
214R50.7Low52.8Low210 Ų210110.9 Ų110.979%0.79254%0.544SS*.THydrogen-bonded Turntrans-68.515.4-178.4-63.2-172.8177.6-164.8-1.9114.4S14S14-R214 PolarHBondContact OG-NH2 3.31Å; S14-R214 VanDerWaalsContact OG-NH2 3.11Å
215L41.1Very low51.4Low157 Ų157119.6 Ų119.682%0.82257%0.569SS**THydrogen-bonded Turntrans-135.99.9-173.5-71.9171.4000112.6S213 L217S213-L215 PolarHBondContact O-N 2.89Å; L215-L217 PolarHBondContact O-N 3.14Å
216R42.2Very low49.9Very low207 Ų207120.3 Ų120.378%0.78158%0.582SS**  trans-75.782.9156.7-127.3-179.2-174.5166.82.5108S213S213-R216 PolarHBondContact O-N 3.32Å
217L37.1Very low48.1Very low136 Ų136114.5 Ų114.571%0.71258%0.58SS**  trans-50.8153.1157.6-79.3156.3000109L215 T219L215-L217 PolarHBondContact O-N 3.14Å; L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 3.36Å
218P37.8Very low46.1Very low101 Ų101119.8 Ų119.866%0.65661%0.614SS**  trans-6290.1173.2-2234.3000111.1Y220P218-Y220 HydrophobicContact CB-CD2 4.19Å; P218-Y220 HydrophobicContact CB-CE2 4.02Å; P218-Y220 PolarHBondContact O-N 3.15Å
219T38.3Very low44.1Very low112 Ų112128.4 Ų128.469%0.68765%0.652SS**  trans-70.782164.149.60000107.3L217 N221L217-T219 VanDerWaalsContact C-N 3.3Å; L217-T219 PolarHBondContact O-N 3.36Å; T219-N221 PolarHBondContact O-N 3.41Å
220Y38.4Very low42.1Very low202 Ų202133.8 Ų133.879%0.79269%0.687SS**  trans-51.3107.4164.6-79.8-83.5000107.5P218 T222P218-Y220 HydrophobicContact CB-CD2 4.19Å; P218-Y220 HydrophobicContact CB-CE2 4.02Å; P218-Y220 PolarHBondContact O-N 3.15Å; Y220-T222 PolarHBondContact O-N 2.91Å
221N31.9Very low40.2Very low144 Ų144142.4 Ų142.477%0.7773%0.727SS**  trans-80.289.7-171.3-161.710.2000107.8T219 S223T219-N221 PolarHBondContact O-N 3.41Å; N221-S223 PolarHBondContact O-N 3.38Å
222T37.1Very low38.5Very low140 Ų140145.7 Ų145.786%0.85975%0.754SS**  trans-72.140.7-17444.90000113.4Y220Y220-T222 PolarHBondContact O-N 2.91Å
223S37.2Very low37Very low94 Ų94144.5 Ų144.566%0.65776%0.764SS**  trans-118.930.7-175.1-154.10000112.6N221N221-S223 PolarHBondContact O-N 3.38Å
224Q34.9Very low36.2Very low192 Ų192148.3 Ų148.390%0.89779%0.787SS**  trans-137.870.8163.3-72.4-159.96.900111
225R39.4Very low35.3Very low245 Ų245143.2 Ų143.293%0.92578%0.784SS**  trans-143.859.8165.8-158.9-174.2-176.4-179.42.6113.1
226S34.1Very low34.7Very low118 Ų118142.8 Ų142.883%0.82578%0.782SS**  trans-157.635.5171.847.80000113.5
227G30.6Very low34.1Very low67 Ų67143.9 Ų143.969%0.69179%0.786SS**PPolyproline II helixtrans-82.7129.8161.900000110.1
228P32.5Very low33.9Very low125 Ų125143.4 Ų143.481%0.81279%0.789SS**PPolyproline II helixtrans-73.7133.1-176.228.2-33.5000112.2
229F32.8Very low34.1Very low199 Ų199143.2 Ų143.287%0.87379%0.788SS**PPolyproline II helixtrans-65.2130.9168.1-89.7-102.8000110.5Q231F229-Q231 PolarHBondContact O-N 3.07Å
230P35.4Very low33.7Very low113 Ų113145 Ų14573%0.73479%0.79SS**PPolyproline II helixtrans-67.1119.4160.7-15.430.4000109.4
231Q31.3Very low33.4Very low185 Ų185142.6 Ų142.686%0.86479%0.786SS**PPolyproline II helixtrans-71.7127.2166-71.7-178.2-16.900109F229F229-Q231 PolarHBondContact O-N 3.07Å
232V32.7Very low33.2Very low136 Ų136141.2 Ų141.282%0.82478%0.779SS**  trans-109.4104.2171177.70000108
233S30.6Very low32.8Very low100 Ų100142.8 Ų142.870%0.69977%0.774SS**  trans-72.1141176.4-57.80000111.1
234P34.9Very low32.9Very low131 Ų131143.7 Ų143.785%0.85178%0.778SS**  trans-80138.4-179.231.8-34.4000112.3
235S31.1Very low33.2Very low104 Ų104140.4 Ų140.473%0.72777%0.773SS**  trans-150.2114.6165.8-166.40000112.7
236N28.9Very low32.7Very low148 Ų148135.3 Ų135.379%0.79177%0.769SS**  trans37.7107.8149.6-58.9-14.8000121.9
237R28.6Very low32.8Very low230 Ų230136.3 Ų136.387%0.86877%0.765SS**  5.7143.5118.7-64.4-179.6-174.2179.42.2116.5
238T32.8Very low33Very low125 Ų125138.4 Ų138.477%0.76777%0.767SS**  cis-179-175.615.717.80000108
239P42.8Very low33.1Very low97 Ų97140.5 Ų140.563%0.6377%0.765SS**  cis-130175.8-46.539.1-23.4000114
240M30Very low33.5Very low149 Ų149135.8 Ų135.873%0.73476%0.755SS**  trans67.9170.4159.7-74.5139.37800116.2
241E31.4Very low33.2Very low152 Ų152141.7 Ų141.771%0.7176%0.762SS**  cis-162.1158.5-2.5-115.1151.4174.400106.3
242D28.8Very low33.4Very low116 Ų116141 Ų14162%0.6276%0.764SS**  cis-164.2-165.9-10.5-150.6-13.2000112.1
243F28.8Very low33.3Very low173 Ų173138.9 Ų138.976%0.75976%0.76SS**  trans-7158.2163.4-67-59000122.9
244P38.3Very low33.7Very low112 Ų112139.5 Ų139.573%0.72777%0.765SS**  cis-131.1-165.2-22.342.1-22.8000111.8
245P41.8Very low33.9Very low123 Ų123138.2 Ų138.280%0.79975%0.754SS**  trans-98.7158.5-157.638.9-36.6000117.1
246V29.2Very low34.1Very low139 Ų139136.6 Ų136.684%0.84274%0.741SS**  trans-129.2119.7163178.70000110
247N35.1Very low34.4Very low138 Ų138137.4 Ų137.474%0.73874%0.74SS**  trans-105.5134.8171.9174.625.7000109.6Q249N247-Q249 PolarHBondContact OD1-N 3.34Å; N247-Q249 VanDerWaalsContact OD1-N 3.08Å
248P34.4Very low35.1Very low112 Ų112135.5 Ų135.573%0.72773%0.733SS**  trans-136.2102.214432.7-16.2000113.1
249Q36.4Very low35.4Very low168 Ų168134.3 Ų134.379%0.78572%0.721SS**  trans-71141.8139.3-79.9-162-17.800108.3N247N247-Q249 PolarHBondContact OD1-N 3.34Å; N247-Q249 VanDerWaalsContact OD1-N 3.08Å
250P40.6Very low35.5Very low100 Ų100135.8 Ų135.865%0.64972%0.723SS**  -128.3178.878.220.42.2000111.3
251W28.6Very low36Very low237 Ų237134.8 Ų134.890%0.89872%0.721SS**  cis-138164.323.8-7261.3000111.7A253W251-A253 PolarHBondContact O-N 2.84Å
252L36Very low36.5Very low172 Ų172129.5 Ų129.590%0.90171%0.707SS**  trans-69.5127.3173-79.678.8000111.7
253A30.9Very low37.3Very low90 Ų90127.8 Ų127.874%0.74470%0.704SS**  trans-115.4108.6148.600000107.4W251 V255W251-A253 PolarHBondContact O-N 2.84Å; A253-V255 PolarHBondContact O-N 3.34Å
254S39.1Very low38.2Very low113 Ų113122 Ų12279%0.7969%0.689SS**  trans-74.595.6-176.3540000111.1
255V38.6Very low38.8Very low104 Ų104119.6 Ų119.663%0.6368%0.678SS**  trans-67.7125.7171.5-177.10000108.9A253 L259A253-V255 PolarHBondContact O-N 3.34Å; V255-L259 HydrophobicContact CG1-CB 4.26Å; V255-L259 HydrophobicContact CG1-CD2 3.97Å
256P35.6Very low39.4Very low70 Ų70117.8 Ų117.846%0.45567%0.665SS.*  trans-72.1143.2-177.329.2-35.8000112.3W258 L259P256-W258 VanDerWaalsContact CG-NE1 3.33Å; P256-W258 PolarHBondContact O-N 3.48Å; P256-L259 PolarHBondContact O-N 3.42Å
257H34.3Very low40.7Very low166 Ų166114.4 Ų114.477%0.76965%0.647SS**THydrogen-bonded Turntrans-53.3-28.2-170.2-90.9-93.5000116.2L259 L260H257-L259 PolarHBondContact O-N 2.9Å; H257-L260 PolarHBondContact O-N 3.48Å
258W44.4Very low41.9Very low190 Ų190114.4 Ų114.472%0.7264%0.642SS**Hα-helixtrans-62.8-14.6-176.765.4-99.2000114.3P256 L260P256-W258 VanDerWaalsContact CG-NE1 3.33Å; P256-W258 PolarHBondContact O-N 3.48Å; W258-L260 VanDerWaalsContact C-N 3.32Å
259L39.1Very low43.2Very low100 Ų100111.9 Ų111.952%0.52463%0.631SS.*Hα-helixtrans-74.9-20175.2-148.283000113.3V255 P256 H257V255-L259 HydrophobicContact CG1-CB 4.26Å; V255-L259 HydrophobicContact CG1-CD2 3.97Å; P256-L259 PolarHBondContact O-N 3.42Å; H257-L259 PolarHBondContact O-N 2.9Å
260L44.9Very low44.7Very low128 Ų128109.9 Ų109.967%0.6762%0.622SS**Hα-helixtrans-83.7-45.3-172.4-140.173.8000112.5H257 W258 G262 S263 A264H257-L260 PolarHBondContact O-N 3.48Å; W258-L260 VanDerWaalsContact C-N 3.32Å; L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.98Å; L260-S263 WeakPolarHBondContact O-CB 3.22Å; L260-S263 PolarHBondContact O-N 2.86Å; L260-A264 PolarHBondContact O-N 2.91Å
261D40.1Very low46.2Very low127 Ų127110.5 Ų110.568%0.67962%0.619SS**Hα-helixtrans-62-35.8-178-61.6-32.4000112.3S263 A265D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.42Å; D261-A265 PolarHBondContact O-N 2.57Å
262G40.4Very low48.3Very low41 Ų41104.1 Ų104.142%0.42360%0.602SS.*Hα-helixtrans-65.8-31.7175.200000113.5L260 V266L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.98Å; G262-V266 WeakPolarHBondContact O-CB 3.34Å; G262-V266 VanDerWaalsContact O-CG2 3.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.49Å; G262-V266 PolarHBondContact O-N 3.14Å; G262-V266 VanDerWaalsContact O-N 3.15Å
263S46.6Very low50.4Low80 Ų80102.4 Ų102.456%0.55959%0.589SS**Hα-helixtrans-70.5-42.8178.7-171.10000111.7L260 D261 S267L260-S263 WeakPolarHBondContact O-CB 3.22Å; L260-S263 PolarHBondContact O-N 2.86Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.42Å; S263-S267 VanDerWaalsContact O-CB 3.32Å; S263-S267 WeakPolarHBondContact O-CB 3.35Å; S263-S267 PolarHBondContact O-N 2.71Å
264A48.7Very low52.6Low53 Ų53102 Ų10244%0.43857%0.572SS.*Hα-helixtrans-63.8-51.1176.700000111.5L260 V266 S267 E268L260-A264 PolarHBondContact O-N 2.91Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.83Å; A264-S267 WeakPolarHBondContact O-CB 3.35Å; A264-S267 PolarHBondContact O-N 3.28Å; A264-S267 VanDerWaalsContact O-N 3.14Å; A264-E268 PolarHBondContact O-N 3.22Å
265A50.8Low54.5Low60 Ų60102.9 Ų102.950%0.49656%0.564SS.*Hα-helixtrans-63.4-35.6-178.100000113.5D261 A269D261-A265 PolarHBondContact O-N 2.57Å; A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.93Å
266V53.4Low56.2Low86 Ų86104 Ų10452%0.52156%0.564SS.*Hα-helixtrans-70.5-40.2173.8170.80000111.2G262 A264 A269 Q270G262-V266 WeakPolarHBondContact O-CB 3.34Å; G262-V266 VanDerWaalsContact O-CG2 3.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.49Å; G262-V266 PolarHBondContact O-N 3.14Å; G262-V266 VanDerWaalsContact O-N 3.15Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.83Å; V266-A269 PolarHBondContact O-N 3.01Å; V266-Q270 WeakPolarHBondContact O-CG 3.21Å; V266-Q270 PolarHBondContact O-N 3.32Å
267S57.4Low58.3Low67 Ų67105 Ų10547%0.46957%0.565SS.*Hα-helixtrans-63.2-43.7176.3-169.90000112.1S263 A264 Q270 L271S263-S267 VanDerWaalsContact O-CB 3.32Å; S263-S267 WeakPolarHBondContact O-CB 3.35Å; S263-S267 PolarHBondContact O-N 2.71Å; A264-S267 WeakPolarHBondContact O-CB 3.35Å; A264-S267 PolarHBondContact O-N 3.28Å; A264-S267 VanDerWaalsContact O-N 3.14Å; S267-Q270 PolarHBondContact O-N 2.98Å; S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.31Å
268E58.6Low60.4Low138 Ų138104.3 Ų104.365%0.64556%0.555SS**Hα-helixtrans-63.6-42.6174.9-72.9-177.9176.500112.2A264 L271 L272A264-E268 PolarHBondContact O-N 3.22Å; E268-L271 PolarHBondContact O-N 3.05Å; E268-L272 WeakPolarHBondContact O-CB 3.4Å; E268-L272 PolarHBondContact O-N 3.38Å
269A63.1Low61.8Low59 Ų5997.9 Ų97.949%0.48854%0.543SS..Hα-helixtrans-62.4-42.5176.200000112.2A265 V266 L272 E273A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.93Å; V266-A269 PolarHBondContact O-N 3.01Å; A269-L272 PolarHBondContact O-N 2.83Å; A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 3.27Å
270Q67.4Low63.6Low127 Ų12795.1 Ų95.159%0.59354%0.539SS*.Hα-helixtrans-68.1-38175.8-72.7-173.8-53.300112.4V266 S267 L272 E273 E274V266-Q270 WeakPolarHBondContact O-CG 3.21Å; V266-Q270 PolarHBondContact O-N 3.32Å; S267-Q270 PolarHBondContact O-N 2.98Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; Q270-E273 PolarHBondContact O-N 2.81Å; Q270-E274 VanDerWaalsContact O-CB 3.31Å; Q270-E274 WeakPolarHBondContact O-CB 3.46Å; Q270-E274 PolarHBondContact O-N 3.19Å
271L71.4Confident64.8Low112 Ų11293.4 Ų93.459%0.58653%0.529SS*.Hα-helixtrans-63.1-42174-116.2170.2000111.5S267 E268 Q275S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.31Å; E268-L271 PolarHBondContact O-N 3.05Å; L271-Q275 WeakPolarHBondContact O-CB 3.41Å; L271-Q275 PolarHBondContact O-N 2.96Å
272L74.1Confident66.3Low103 Ų10392 Ų9254%0.53952%0.521SS..Hα-helixtrans-71.6-36.4179.4-167.9132.8000112E268 A269 Q270 Q275 M276E268-L272 WeakPolarHBondContact O-CB 3.4Å; E268-L272 PolarHBondContact O-N 3.38Å; A269-L272 PolarHBondContact O-N 2.83Å; Q270-L272 VanDerWaalsContact C-N 3.34Å; L272-Q275 PolarHBondContact O-N 3.01Å; L272-M276 HydrophobicContact CD2-CG 4.31Å; L272-M276 HydrophobicContact CD2-SD 3.72Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.22Å; L272-M276 PolarHBondContact O-N 2.95Å
273E78.4Confident67.7Low137 Ų13792.5 Ų92.564%0.6452%0.521SS*.Hα-helixtrans-63.7-48.3171.5-175170.1-157.600111.4A269 Q270 Q275 M276 L277A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 3.27Å; Q270-E273 PolarHBondContact O-N 2.81Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.89Å; E273-M276 PolarHBondContact O-N 3.41Å; E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.27Å
274E78.5Confident68.7Low82 Ų8292.9 Ų92.938%0.38352%0.524SS..Hα-helixtrans-59.2-40.4174.317768.1-166.500111.7Q270 L277 R278Q270-E274 VanDerWaalsContact O-CB 3.31Å; Q270-E274 WeakPolarHBondContact O-CB 3.46Å; Q270-E274 PolarHBondContact O-N 3.19Å; E274-L277 PolarHBondContact O-N 2.82Å; E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 VanDerWaalsContact O-CG 3.26Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 2.85Å; E274-R278 IonicContact OE1-NE 3.01Å; E274-R278 PolarHBondContact OE1-NE 2.9Å; E274-R278 IonicContact OE1-NH2 2.85Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å
275Q78.6Confident69.3Low130 Ų13095.6 Ų95.661%0.60753%0.53SS*.Hα-helixtrans-72-38.7179.5-164.6171.525.500112.3L271 L272 E273 A279L271-Q275 WeakPolarHBondContact O-CB 3.41Å; L271-Q275 PolarHBondContact O-N 2.96Å; L272-Q275 PolarHBondContact O-N 3.01Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.89Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 2.93Å
276M75Confident69.5Low129 Ų129100.1 Ų100.164%0.63554%0.541SS*.Hα-helixtrans-67.1-37.7171.3-76.5-175.374.400112.1L272 E273 A279 G280L272-M276 HydrophobicContact CD2-CG 4.31Å; L272-M276 HydrophobicContact CD2-SD 3.72Å; L272-M276 WeakPolarHBondContact O-CB 3.31Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.22Å; L272-M276 PolarHBondContact O-N 2.95Å; E273-M276 PolarHBondContact O-N 3.41Å; M276-A279 PolarHBondContact O-N 3.24Å; M276-G280 PolarHBondContact O-N 2.94Å
277L78.9Confident69.3Low91 Ų91103.2 Ų103.248%0.47656%0.555SS.*Hα-helixtrans-66.8-42.5177-170.9152.4000110.7E273 E274 G280 I281E273-L277 WeakPolarHBondContact O-CB 3.41Å; E273-L277 PolarHBondContact O-N 3.27Å; E274-L277 PolarHBondContact O-N 2.82Å; L277-G280 PolarHBondContact O-N 3.11Å; L277-I281 HydrophobicContact CD2-CD1 3.62Å; L277-I281 HydrophobicContact CD2-CG1 4.39Å; L277-I281 WeakPolarHBondContact O-CG1 3.49Å; L277-I281 PolarHBondContact O-N 2.95Å
278R77.7Confident69Low150 Ų150102.4 Ų102.457%0.56655%0.552SS**Hα-helixtrans-62.3-42.4170.8-72.5173.3-172.2-156.95.3112.5E274 G280 I281 L282E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 VanDerWaalsContact O-CG 3.26Å; E274-R278 WeakPolarHBondContact O-CG 3.49Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 2.85Å; E274-R278 IonicContact OE1-NE 3.01Å; E274-R278 PolarHBondContact OE1-NE 2.9Å; E274-R278 IonicContact OE1-NH2 2.85Å; E274-R278 PolarHBondContact OE1-NH2 3.33Å; R278-G280 VanDerWaalsContact C-N 3.33Å; R278-G280 PolarHBondContact O-N 3.39Å; R278-I281 PolarHBondContact O-N 3.12Å; R278-L282 WeakPolarHBondContact O-CG 3.39Å; R278-L282 PolarHBondContact O-N 2.98Å
279A75.6Confident68.3Low56 Ų56101.3 Ų101.346%0.46356%0.557SS.*Hα-helixtrans-62.9-39.717500000112Q275 M276 L282 A283Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 2.93Å; M276-A279 PolarHBondContact O-N 3.24Å; A279-L282 PolarHBondContact O-N 3.08Å; A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 3.33Å
280G75.6Confident67.3Low42 Ų42107.7 Ų107.743%0.43358%0.577SS.*Hα-helixtrans-64.9-39.917400000113.3M276 L277 R278 S284M276-G280 PolarHBondContact O-N 2.94Å; L277-G280 PolarHBondContact O-N 3.11Å; R278-G280 VanDerWaalsContact C-N 3.33Å; R278-G280 PolarHBondContact O-N 3.39Å; G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.47Å
281I71.4Confident66.1Low91 Ų91108.2 Ų108.247%0.46758%0.579SS.*Hα-helixtrans-63.9-46173.1-71.2172.1000110.8L277 R278 S284 L285L277-I281 HydrophobicContact CD2-CD1 3.62Å; L277-I281 HydrophobicContact CD2-CG1 4.39Å; L277-I281 WeakPolarHBondContact O-CG1 3.49Å; L277-I281 PolarHBondContact O-N 2.95Å; R278-I281 PolarHBondContact O-N 3.12Å; I281-S284 PolarHBondContact O-N 3.01Å; I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.28Å
282L70.6Confident64.9Low99 Ų99109.7 Ų109.752%0.51860%0.596SS.*Hα-helixtrans-65.5-41.5179.4-71.1172.8000112.2R278 A279 L285 Q286R278-L282 WeakPolarHBondContact O-CG 3.39Å; R278-L282 PolarHBondContact O-N 2.98Å; A279-L282 PolarHBondContact O-N 3.08Å; L282-L285 PolarHBondContact O-N 2.91Å; L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 VanDerWaalsContact O-CG 3.25Å; L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 3.3Å
283A70.5Confident63.4Low50 Ų50108.2 Ų108.241%0.41361%0.605SS.*Hα-helixtrans-62.7-43.8173.600000111.9A279 L285 Q286 D287A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 3.33Å; A283-L285 VanDerWaalsContact C-N 3.25Å; A283-L285 PolarHBondContact O-N 2.96Å; A283-Q286 CarbonylContact O-C 3.6Å; A283-Q286 PolarHBondContact O-N 2.83Å; A283-D287 PolarHBondContact O-N 3.28Å
284S67.3Low61.6Low89 Ų89106.3 Ų106.362%0.62260%0.603SS**Hα-helixtrans-67.9-22.1177.2-165.20000113.6G280 I281G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.47Å; I281-S284 PolarHBondContact O-N 3.01Å
285L60.1Low59.9Low110 Ų110110.1 Ų110.158%0.57662%0.618SS**Hα-helixtrans-82.5-28.2168.9-75.8166.9000112.5I281 L282 A283 A288I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 WeakPolarHBondContact O-CB 3.2Å; I281-L285 WeakPolarHBondContact O-CG 3.43Å; I281-L285 PolarHBondContact O-N 3.28Å; L282-L285 PolarHBondContact O-N 2.91Å; A283-L285 VanDerWaalsContact C-N 3.25Å; A283-L285 PolarHBondContact O-N 2.96Å; L285-A288 WeakPolarHBondContact O-CB 3.39Å; L285-A288 PolarHBondContact O-N 2.76Å
286Q54.9Low58.3Low155 Ų155110.1 Ų110.172%0.72463%0.627SS**Hα-helixtrans-80.9-21.2176.8-73.1164.8-11.600112.8L282 A283L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 VanDerWaalsContact O-CG 3.25Å; L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 3.3Å; A283-Q286 CarbonylContact O-C 3.6Å; A283-Q286 PolarHBondContact O-N 2.83Å
287D50.9Low57Low151 Ų151112.5 Ų112.581%0.80764%0.636SS**THydrogen-bonded Turntrans-78.3-2.4163.9-88.1-23.8000113.1A283A283-D287 PolarHBondContact O-N 3.28Å
288A49.8Very low55.4Low50 Ų50112.7 Ų112.741%0.41364%0.641SS.*SBendtrans-90.2124.5171.300000110.4L285 E290L285-A288 WeakPolarHBondContact O-CB 3.39Å; L285-A288 PolarHBondContact O-N 2.76Å; A288-E290 PolarHBondContact O-N 3.17Å
289P44.1Very low53.5Low114 Ų114109.5 Ų109.574%0.7464%0.642SS**  trans-7895.5-174.130-34.9000112.4E291P289-E291 PolarHBondContact O-N 2.97Å
290E43.4Very low52.1Low194 Ų194113.7 Ų113.791%0.90765%0.65SS**  trans-73.763.2163.6-70.7-159.8147.400112A288A288-E290 PolarHBondContact O-N 3.17Å
291E40.4Very low50.8Low138 Ų138116.9 Ų116.965%0.64567%0.666SS**  trans-166.1127152.3-119.6176.8-151.900112.5P289 G293P289-E291 PolarHBondContact O-N 2.97Å; E291-G293 VanDerWaalsContact C-N 3.33Å; E291-G293 PolarHBondContact O-N 3.38Å
292P47.2Very low49.8Very low143 Ų143117.1 Ų117.193%0.92968%0.675SS**THydrogen-bonded Turntrans-80.474.3178.533.7-35.3000111.7
293G43.6Very low48.8Very low72 Ų72113.9 Ų113.974%0.74266%0.659SS**THydrogen-bonded Turntrans-178.3-12.2174.700000118.6E291E291-G293 VanDerWaalsContact C-N 3.33Å; E291-G293 PolarHBondContact O-N 3.38Å
294T39.5Very low48.4Very low96 Ų96113.9 Ų113.959%0.58966%0.656SS**  trans-88.2122.4-171.946.50000113.4V296T294-V296 PolarHBondContact O-N 3.47Å
295K42.5Very low48.3Very low162 Ų162117.1 Ų117.170%0.70466%0.66SS**  trans-61.1130.7175.3-91.6-177.4169.1-176.70111.7E297K295-E297 PolarHBondContact O-N 3.35Å
296V45.6Very low48.5Very low130 Ų130117.5 Ų117.579%0.78866%0.662SS**  trans-79.3103.8174.2-178.90000110.5T294 V298T294-V296 PolarHBondContact O-N 3.47Å; V296-V298 HydrophobicContact CG1-CG2 4.27Å; V296-V298 PolarHBondContact O-N 3.27Å
297E47.5Very low49Very low179 Ų179114.8 Ų114.884%0.83664%0.644SS**  trans-79.5102.9175.7-68.3-158.4145.600112.3K295 S299K295-E297 PolarHBondContact O-N 3.35Å; E297-S299 PolarHBondContact O-N 3.01Å
298V44.9Very low49.9Very low95 Ų95109.3 Ų109.358%0.57662%0.615SS**  trans-84.8112.7176.4-175.40000111.1V296 K300 A326V296-V298 HydrophobicContact CG1-CG2 4.27Å; V296-V298 PolarHBondContact O-N 3.27Å; V298-K300 PolarHBondContact O-N 3.35Å; V298-A326 HydrophobicContact CG1-CB 4.38Å
299S38Very low50.9Low84 Ų84110.8 Ų110.859%0.58761%0.614SS**  trans-65.8127.3179.2-77.90000113.2E297 S301 S302E297-S299 PolarHBondContact O-N 3.01Å; S299-S301 PolarHBondContact O-N 3.19Å; S299-S302 PolarHBondContact O-N 3.34Å
300K46.9Very low52.3Low143 Ų143109.3 Ų109.362%0.62260%0.597SS**G310 helixtrans-66.1-3.9-173.4-63-168.7176.1-170.70115.8V298 S302 M349V298-K300 PolarHBondContact O-N 3.35Å; K300-S302 VanDerWaalsContact C-N 3.31Å; K300-S302 PolarHBondContact O-N 2.94Å; K300-M349 PolarHBondContact NZ-SD 3.09Å
301S48.2Very low53.4Low110 Ų110100.1 Ų100.177%0.76955%0.554SS**G310 helixtrans-72.9-18.8177.3470000114.3S299S299-S301 PolarHBondContact O-N 3.19Å
302S49.3Very low55Low95 Ų9598.7 Ų98.766%0.66455%0.547SS*.G310 helixtrans-93.611.3-170.8-59.30000115S299 K300S299-S302 PolarHBondContact O-N 3.34Å; K300-S302 VanDerWaalsContact C-N 3.31Å; K300-S302 PolarHBondContact O-N 2.94Å
303V51.3Low56.4Low31 Ų31100.1 Ų100.119%0.18854%0.539CS..SBendtrans-116.5122.7-173-175.10000110.9F305 L308 V322 L325V303-F305 PolarHBondContact O-N 2.9Å; V303-L308 HydrophobicContact CG1-CD1 4.35Å; V303-V322 HydrophobicContact CG2-CG1 4.48Å; V303-L325 HydrophobicContact CG1-CD2 3.8Å
304S61.8Low57.3Low50 Ų50101.5 Ų101.535%0.3553%0.527SS..  trans-7199177.9580000111.3L306 R307 L308S304-L306 PolarHBondContact O-N 3.04Å; S304-R307 PolarHBondContact O-N 3.04Å; S304-R307 WeakPolarHBondContact OG-CD 3.36Å; S304-R307 WeakPolarHBondContact OG-CG 3.31Å; S304-L308 PolarHBondContact O-N 2.88Å
305F64.5Low58.7Low158 Ų158100.1 Ų100.169%0.69353%0.532SS*.Hα-helixtrans-42-43.9-178-175.6-97.2000114.4V303 R307 L308 Q309V303-F305 PolarHBondContact O-N 2.9Å; F305-R307 VanDerWaalsContact C-N 3.33Å; F305-R307 PolarHBondContact O-N 3.4Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 PolarHBondContact O-N 2.95Å; F305-Q309 PolarHBondContact O-N 2.94Å
306L64.9Low60Low118 Ų11894.7 Ų94.762%0.61851%0.508SS*.Hα-helixtrans-60.2-37.6-179.6-151.1168.3000112.7S304 Q310S304-L306 PolarHBondContact O-N 3.04Å; L306-Q310 HydrophobicContact CD2-CG 4.37Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.39Å; L306-Q310 VanDerWaalsContact O-N 3.13Å
307R64.5Low61.5Low97 Ų9792 Ų9237%0.36649%0.494SS..Hα-helixtrans-75.8-33.3176.9-66.6-173.9-176.2156.7-7112.8S304 F305 Q309 Q310 L311 L325 R329 L331S304-R307 PolarHBondContact O-N 3.04Å; S304-R307 WeakPolarHBondContact OG-CD 3.36Å; S304-R307 WeakPolarHBondContact OG-CG 3.31Å; F305-R307 VanDerWaalsContact C-N 3.33Å; F305-R307 PolarHBondContact O-N 3.4Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; R307-Q310 WeakPolarHBondContact O-CB 3.38Å; R307-Q310 PolarHBondContact O-N 2.92Å; R307-L311 PolarHBondContact O-N 3.45Å; R307-L311 VanDerWaalsContact O-N 3.08Å; R307-L325 HydrophobicContact CB-CD1 3.94Å; R307-L325 HydrophobicContact CB-CD2 4.11Å; R307-R329 PolarHBondContact NH1-O 2.95Å; R307-L331 HydrophobicContact CB-CD1 3.99Å; R307-L331 HydrophobicContact CG-CD1 4.38Å
308L69.5Low62.5Low36 Ų3686.1 Ų86.119%0.18847%0.47CS..Hα-helixtrans-60.7-48.2172.2-157-178.9000109.3V303 S304 F305 Q310 L311 E312 T318 V322V303-L308 HydrophobicContact CG1-CD1 4.35Å; S304-L308 PolarHBondContact O-N 2.88Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 PolarHBondContact O-N 2.95Å; L308-Q310 PolarHBondContact O-N 2.82Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-L311 VanDerWaalsContact O-N 3.11Å; L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 PolarHBondContact O-N 3.4Å; L308-T318 HydrophobicContact CD2-CG2 4.05Å; L308-V322 HydrophobicContact CD1-CG2 3.54Å; L308-V322 HydrophobicContact CD2-CG2 4.49Å; L308-V322 HydrophobicContact CG-CG2 3.94Å
309Q71.8Confident63.6Low82 Ų8285.6 Ų85.638%0.38346%0.464SS..Hα-helixtrans-63.3-25.5176-162.1-178.930.100113.5F305 R307 K313F305-Q309 PolarHBondContact O-N 2.94Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-K313 WeakPolarHBondContact O-CB 3.39Å; Q309-K313 WeakPolarHBondContact O-CG 3.25Å; Q309-K313 PolarHBondContact O-N 3.34Å; Q309-K313 VanDerWaalsContact O-N 3.16Å
310Q72.2Confident65Low82 Ų8283.5 Ų83.538%0.38344%0.444SS..Hα-helixtrans-73.9-40.7171.9-75.4173.5-47.400112.3L306 R307 L308 K313 M314 L331L306-Q310 HydrophobicContact CD2-CG 4.37Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.39Å; L306-Q310 VanDerWaalsContact O-N 3.13Å; R307-Q310 WeakPolarHBondContact O-CB 3.38Å; R307-Q310 PolarHBondContact O-N 2.92Å; L308-Q310 PolarHBondContact O-N 2.82Å; Q310-K313 PolarHBondContact O-N 2.93Å; Q310-M314 WeakPolarHBondContact O-CE 3.45Å; Q310-M314 PolarHBondContact O-N 2.92Å; Q310-L331 HydrophobicContact CB-CD1 4.36Å
311L67.1Low66.1Low1 Ų176.7 Ų76.71%0.00542%0.415CS..Hα-helixtrans-67.1-41.9174.9-68.3172.8000111.8R307 L308 K313 M314 G315 F316 A321 L325 L331 A334 I335 L338R307-L311 PolarHBondContact O-N 3.45Å; R307-L311 VanDerWaalsContact O-N 3.08Å; L308-L311 PolarHBondContact O-N 2.85Å; L308-L311 VanDerWaalsContact O-N 3.11Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.32Å; L311-M314 HydrophobicContact CD2-CE 4.19Å; L311-M314 CarbonylContact O-C 3.54Å; L311-M314 WeakPolarHBondContact O-CA 3.38Å; L311-M314 PolarHBondContact O-N 3.49Å; L311-G315 PolarHBondContact O-N 3.31Å; L311-F316 HydrophobicContact CD2-CD2 4.19Å; L311-F316 PolarHBondContact O-N 2.84Å; L311-A321 HydrophobicContact CB-CB 4.15Å; L311-A321 HydrophobicContact CD1-CB 3.94Å; L311-L325 HydrophobicContact CD1-CD1 3.85Å; L311-L331 HydrophobicContact CD1-CD1 4.44Å; L311-L331 HydrophobicContact CD2-CD1 4.01Å; L311-L331 HydrophobicContact CG-CD1 3.9Å; L311-A334 HydrophobicContact CD1-CB 4.33Å; L311-I335 HydrophobicContact CD2-CD1 4.28Å; L311-I335 HydrophobicContact CD2-CG1 3.52Å; L311-L338 HydrophobicContact CD1-CD1 4.28Å; L311-L338 HydrophobicContact CD2-CD1 4.21Å
312E74.7Confident67Low108 Ų10873 Ų7351%0.50539%0.387SS..Hα-helixtrans-57.9-44.7173.6-177.4-178-151.400111.4L308 M314 G315 T318L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 PolarHBondContact O-N 3.4Å; E312-M314 PolarHBondContact O-N 2.92Å; E312-G315 PolarHBondContact O-N 2.89Å; E312-T318 HydrophobicContact CB-CG2 4.28Å; E312-T318 HydrophobicContact CG-CG2 4.11Å
313K75.8Confident67.9Low173 Ų17371.3 Ų71.375%0.75237%0.373SS*.Hα-helixtrans-67.2-14.9173.9-80.1-176.8174.3-174.70114.9Q309 Q310 L311Q309-K313 WeakPolarHBondContact O-CB 3.39Å; Q309-K313 WeakPolarHBondContact O-CG 3.25Å; Q309-K313 PolarHBondContact O-N 3.34Å; Q309-K313 VanDerWaalsContact O-N 3.16Å; Q310-K313 PolarHBondContact O-N 2.93Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.32Å
314M62.1Low68.6Low102 Ų10269.9 Ų69.950%0.50236%0.364SS..THydrogen-bonded Turntrans-96.38.1170.7-69.4-173.6-7100112.7Q310 L311 E312 F316 I335Q310-M314 WeakPolarHBondContact O-CE 3.45Å; Q310-M314 PolarHBondContact O-N 2.92Å; L311-M314 HydrophobicContact CD2-CE 4.19Å; L311-M314 CarbonylContact O-C 3.54Å; L311-M314 WeakPolarHBondContact O-CA 3.38Å; L311-M314 PolarHBondContact O-N 3.49Å; E312-M314 PolarHBondContact O-N 2.92Å; M314-F316 HydrophobicContact CB-CD2 3.95Å; M314-F316 HydrophobicContact CB-CE2 3.96Å; M314-I335 HydrophobicContact CE-CD1 3.78Å; M314-I335 HydrophobicContact CE-CG1 4.43Å
315G68.9Low68.9Low67 Ų6767.8 Ų67.869%0.69135%0.35SS*.THydrogen-bonded Turntrans85.26.5172.300000115.4L311 E312L311-G315 PolarHBondContact O-N 3.31Å; E312-G315 PolarHBondContact O-N 2.89Å
316F70.8Confident69Low47 Ų4761.9 Ų61.921%0.20633%0.33CS..  trans-77137.4178.6-66.6-76.5000111.6L311 M314 T318 I335 L338 I339L311-F316 HydrophobicContact CD2-CD2 4.19Å; L311-F316 PolarHBondContact O-N 2.84Å; M314-F316 HydrophobicContact CB-CD2 3.95Å; M314-F316 HydrophobicContact CB-CE2 3.96Å; F316-T318 PolarHBondContact O-N 2.93Å; F316-I335 HydrophobicContact CZ-CG2 4.49Å; F316-L338 HydrophobicContact CB-CD1 4.19Å; F316-L338 HydrophobicContact CD1-CB 3.79Å; F316-L338 HydrophobicContact CD1-CD1 4.06Å; F316-L338 HydrophobicContact CD1-CG 4.4Å; F316-L338 HydrophobicContact CE1-CB 3.8Å; F316-L338 HydrophobicContact CG-CD1 4Å; F316-I339 HydrophobicContact CE1-CG1 4.36Å; F316-I339 HydrophobicContact CZ-CG1 4.19Å
317P77.7Confident69Low75 Ų7560 Ų6049%0.48733%0.331SS..  trans-63.2129.8178.124.9-32.5000110.7D319 K320 A321P317-D319 VanDerWaalsContact C-N 3.26Å; P317-D319 PolarHBondContact O-N 3.28Å; P317-K320 HydrophobicContact CG-CB 4.3Å; P317-K320 PolarHBondContact O-N 3.34Å; P317-A321 VanDerWaalsContact O-CB 3.32Å; P317-A321 WeakPolarHBondContact O-CB 3.49Å; P317-A321 PolarHBondContact O-N 2.95Å
318T68Low69.1Low54 Ų5457.4 Ų57.433%0.33133%0.326SS..Hα-helixtrans-60.9-32.1-16945.90000113.3L308 E312 F316 A321 V322L308-T318 HydrophobicContact CD2-CG2 4.05Å; E312-T318 HydrophobicContact CB-CG2 4.28Å; E312-T318 HydrophobicContact CG-CG2 4.11Å; F316-T318 PolarHBondContact O-N 2.93Å; T318-A321 PolarHBondContact O-N 2.94Å; T318-V322 VanDerWaalsContact O-CG2 3.28Å; T318-V322 WeakPolarHBondContact O-CG2 3.31Å; T318-V322 PolarHBondContact O-N 3.24Å
319D66.9Low68.8Low85 Ų8565 Ų6546%0.45535%0.353SS..Hα-helixtrans-66.8-55.3177.9-58.3-55000112.3P317 A321 V322 V323 M349P317-D319 VanDerWaalsContact C-N 3.26Å; P317-D319 PolarHBondContact O-N 3.28Å; D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.04Å; D319-V322 PolarHBondContact O-N 2.94Å; D319-V323 PolarHBondContact O-N 3.01Å; D319-M349 WeakPolarHBondContact OD1-CE 3.34Å
320K68.2Low68.5Low39 Ų3967.4 Ų67.417%0.1736%0.363CS..Hα-helixtrans-59.7-39.1173.8-70.4-169.6173.1-178.50110.6P317 V322 V323 A324 L338 D341 V343 E345P317-K320 HydrophobicContact CG-CB 4.3Å; P317-K320 PolarHBondContact O-N 3.34Å; K320-V322 PolarHBondContact O-N 3.05Å; K320-V323 PolarHBondContact O-N 3Å; K320-A324 WeakPolarHBondContact O-CB 3.22Å; K320-A324 PolarHBondContact O-N 3.48Å; K320-L338 HydrophobicContact CB-CD2 3.69Å; K320-D341 IonicContact NZ-OD1 2.94Å; K320-D341 PolarHBondContact NZ-OD1 2.97Å; K320-D341 IonicContact NZ-OD2 3Å; K320-D341 PolarHBondContact NZ-OD2 3.28Å; K320-V343 HydrophobicContact CB-CB 4.42Å; K320-V343 HydrophobicContact CB-CG1 4.04Å; K320-V343 HydrophobicContact CD-CB 4.41Å; K320-V343 HydrophobicContact CG-CB 4.38Å; K320-V343 HydrophobicContact CG-CG1 4.08Å; K320-E345 WeakPolarHBondContact CE-OE1 3.48Å; K320-E345 IonicContact NZ-OE1 3.42Å; K320-E345 PolarHBondContact NZ-OE1 3.46Å
321A68.9Low68.2Low1 Ų165 Ų651%0.00835%0.353CS..Hα-helixtrans-63.6-38.7-179.800000113.7L311 P317 T318 D319 L325 L338L311-A321 HydrophobicContact CB-CB 4.15Å; L311-A321 HydrophobicContact CD1-CB 3.94Å; P317-A321 VanDerWaalsContact O-CB 3.32Å; P317-A321 WeakPolarHBondContact O-CB 3.49Å; P317-A321 PolarHBondContact O-N 2.95Å; T318-A321 PolarHBondContact O-N 2.94Å; D319-A321 VanDerWaalsContact C-N 3.26Å; D319-A321 PolarHBondContact O-N 3.04Å; A321-L325 WeakPolarHBondContact O-CB 3.34Å; A321-L325 PolarHBondContact O-N 3.32Å; A321-L338 HydrophobicContact CB-CD1 4.26Å
322V67.4Low68.4Low31 Ų3170.2 Ų70.219%0.18838%0.381CS..Hα-helixtrans-63.9-43.4174.9163.80000111.2V303 L308 T318 D319 K320 L325 A326V303-V322 HydrophobicContact CG2-CG1 4.48Å; L308-V322 HydrophobicContact CD1-CG2 3.54Å; L308-V322 HydrophobicContact CD2-CG2 4.49Å; L308-V322 HydrophobicContact CG-CG2 3.94Å; T318-V322 VanDerWaalsContact O-CG2 3.28Å; T318-V322 WeakPolarHBondContact O-CG2 3.31Å; T318-V322 PolarHBondContact O-N 3.24Å; D319-V322 PolarHBondContact O-N 2.94Å; K320-V322 PolarHBondContact O-N 3.05Å; V322-L325 PolarHBondContact O-N 3.33Å; V322-A326 VanDerWaalsContact O-CB 3.32Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.75Å
323V68.5Low68.1Low60 Ų6066.4 Ų66.436%0.36437%0.37SS..Hα-helixtrans-64.9-47.5178.3178.70000110.9D319 K320 L325 A326 A327 V343 A347D319-V323 PolarHBondContact O-N 3.01Å; K320-V323 PolarHBondContact O-N 3Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 PolarHBondContact O-N 3.47Å; V323-A326 PolarHBondContact O-N 2.93Å; V323-A327 PolarHBondContact O-N 3.27Å; V323-V343 HydrophobicContact CB-CG1 4.01Å; V323-V343 HydrophobicContact CG1-CG1 3.94Å; V323-A347 HydrophobicContact CG2-CB 3.92Å
324A66.6Low67.6Low1 Ų158.1 Ų58.11%0.00834%0.335CS..Hα-helixtrans-60.5-40.5177.900000112.8K320 T328 A334 L337 L338 V343K320-A324 WeakPolarHBondContact O-CB 3.22Å; K320-A324 PolarHBondContact O-N 3.48Å; A324-T328 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact O-OG1 3.15Å; A324-A334 HydrophobicContact CB-CB 4.02Å; A324-L337 HydrophobicContact CB-CB 4.44Å; A324-L338 HydrophobicContact CB-CD1 4.21Å; A324-L338 HydrophobicContact CB-CD2 4.05Å; A324-L338 HydrophobicContact CB-CG 3.85Å; A324-V343 HydrophobicContact CB-CG2 4.25Å
325L68.1Low67.7Low7 Ų754.9 Ų54.94%0.03732%0.319CS..Hα-helixtrans-74.7-30.2178.2-153104.6000112.7V303 R307 L311 A321 V322 V323 R329 L331 A334V303-L325 HydrophobicContact CG1-CD2 3.8Å; R307-L325 HydrophobicContact CB-CD1 3.94Å; R307-L325 HydrophobicContact CB-CD2 4.11Å; L311-L325 HydrophobicContact CD1-CD1 3.85Å; A321-L325 WeakPolarHBondContact O-CB 3.34Å; A321-L325 PolarHBondContact O-N 3.32Å; V322-L325 PolarHBondContact O-N 3.33Å; V323-L325 VanDerWaalsContact C-N 3.34Å; V323-L325 PolarHBondContact O-N 3.47Å; L325-R329 VanDerWaalsContact O-CA 3.27Å; L325-R329 WeakPolarHBondContact O-CA 3.48Å; L325-R329 PolarHBondContact O-N 3.08Å; L325-L331 HydrophobicContact CD1-CD1 4.35Å; L325-A334 HydrophobicContact CB-CB 4.38Å; L325-A334 HydrophobicContact CD1-CB 4Å
326A67.1Low67.8Low33 Ų3355.1 Ų55.127%0.27331%0.31SS..Hα-helixtrans-67.6-41.6173.100000111.8V298 V322 V323V298-A326 HydrophobicContact CG1-CB 4.38Å; V322-A326 VanDerWaalsContact O-CB 3.32Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 2.75Å; V323-A326 PolarHBondContact O-N 2.93Å
327A65.3Low67.6Low79 Ų7955.6 Ų55.665%0.65331%0.314SS*.Hα-helixtrans-67.2-40178.400000113.2V323V323-A327 PolarHBondContact O-N 3.27Å
328T65.8Low67Low43 Ų4352.8 Ų52.826%0.26430%0.295SS..Hα-helixtrans-104.4-24.7-17158.70000114.9A324 Q330 A334 L337A324-T328 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact O-OG1 3.15Å; T328-Q330 PolarHBondContact O-N 3.13Å; T328-Q330 PolarHBondContact OG1-O 3.18Å; T328-A334 PolarHBondContact OG1-N 3.25Å; T328-L337 HydrophobicContact CG2-CD1 3.49Å; T328-L337 VanDerWaalsContact CG2-CD1 3.49Å; T328-L337 HydrophobicContact CG2-CG 4.3Å
329R63.2Low67.1Low196 Ų19655.7 Ų55.774%0.7431%0.307SS*.SBendtrans54.79.5-174.7-56.3-176.4179.7-176.10.3115.6R307 L325R307-R329 PolarHBondContact NH1-O 2.95Å; L325-R329 VanDerWaalsContact O-CA 3.27Å; L325-R329 WeakPolarHBondContact O-CA 3.48Å; L325-R329 PolarHBondContact O-N 3.08Å
330Q66.1Low67.1Low131 Ų13156 Ų5661%0.61231%0.309SS*.SBendtrans-131146178.8-64-172.60.100109.6T328 A334T328-Q330 PolarHBondContact O-N 3.13Å; T328-Q330 PolarHBondContact OG1-O 3.18Å; Q330-A334 WeakPolarHBondContact O-CB 3.33Å; Q330-A334 PolarHBondContact O-N 3.42Å
331L65.9Low66.7Low31 Ų3158.7 Ų58.716%0.16233%0.325CS..Hα-helixtrans-66.4-49.6-173.4-171.573.6000111.2R307 Q310 L311 L325 G333 A334 I335R307-L331 HydrophobicContact CB-CD1 3.99Å; R307-L331 HydrophobicContact CG-CD1 4.38Å; Q310-L331 HydrophobicContact CB-CD1 4.36Å; L311-L331 HydrophobicContact CD1-CD1 4.44Å; L311-L331 HydrophobicContact CD2-CD1 4.01Å; L311-L331 HydrophobicContact CG-CD1 3.9Å; L325-L331 HydrophobicContact CD1-CD1 4.35Å; L331-G333 PolarHBondContact O-N 3.44Å; L331-A334 WeakPolarHBondContact O-CB 3.36Å; L331-A334 PolarHBondContact O-N 3.41Å; L331-A334 VanDerWaalsContact O-N 3.15Å; L331-I335 HydrophobicContact CD2-CD1 4.49Å; L331-I335 HydrophobicContact CG-CD1 4.07Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.04Å
332D69.6Low66.1Low112 Ų11267.4 Ų67.460%0.59936%0.358SS*.Hα-helixtrans-68.7-38.1-171.2-42.7-66.6000111.8I335 S336D332-I335 WeakPolarHBondContact O-CB 3.43Å; D332-I335 PolarHBondContact O-N 3.32Å; D332-S336 PolarHBondContact O-N 2.68Å; D332-S336 PolarHBondContact O-OG 3.36Å
333G69.4Low65.5Low27 Ų2766.5 Ų66.528%0.27835%0.353SS..Hα-helixtrans-65.3-36.4172.300000113.3L331 S336 L337L331-G333 PolarHBondContact O-N 3.44Å; G333-S336 PolarHBondContact O-N 2.93Å; G333-L337 PolarHBondContact O-N 2.85Å
334A65Low64.6Low0 Ų066.5 Ų66.50%037%0.365CS..Hα-helixtrans-66.2-40.2172.900000111.4L311 A324 L325 T328 Q330 L331 L337 L338L311-A334 HydrophobicContact CD1-CB 4.33Å; A324-A334 HydrophobicContact CB-CB 4.02Å; L325-A334 HydrophobicContact CB-CB 4.38Å; L325-A334 HydrophobicContact CD1-CB 4Å; T328-A334 PolarHBondContact OG1-N 3.25Å; Q330-A334 WeakPolarHBondContact O-CB 3.33Å; Q330-A334 PolarHBondContact O-N 3.42Å; L331-A334 WeakPolarHBondContact O-CB 3.36Å; L331-A334 PolarHBondContact O-N 3.41Å; L331-A334 VanDerWaalsContact O-N 3.15Å; A334-L337 PolarHBondContact O-N 3.38Å; A334-L338 WeakPolarHBondContact O-CD1 3.43Å; A334-L338 VanDerWaalsContact O-CG 3.22Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.73Å; A334-L338 VanDerWaalsContact O-N 3.09Å
335I64.8Low63.8Low33 Ų3373.8 Ų73.817%0.16940%0.399CS..Hα-helixtrans-60-46.8174.9-66.5166.9000110.7L311 M314 F316 L331 D332 L337 L338 I339L311-I335 HydrophobicContact CD2-CD1 4.28Å; L311-I335 HydrophobicContact CD2-CG1 3.52Å; M314-I335 HydrophobicContact CE-CD1 3.78Å; M314-I335 HydrophobicContact CE-CG1 4.43Å; F316-I335 HydrophobicContact CZ-CG2 4.49Å; L331-I335 HydrophobicContact CD2-CD1 4.49Å; L331-I335 HydrophobicContact CG-CD1 4.07Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.04Å; D332-I335 WeakPolarHBondContact O-CB 3.43Å; D332-I335 PolarHBondContact O-N 3.32Å; I335-L337 PolarHBondContact O-N 2.86Å; I335-L338 PolarHBondContact O-N 3.2Å; I335-I339 HydrophobicContact CG2-CD1 3.57Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.32Å; I335-I339 PolarHBondContact O-N 2.73Å
336S70.6Confident62.6Low73 Ų7381.9 Ų81.951%0.5144%0.436SS..Hα-helixtrans-59-43177.2-62.40000113.1D332 G333 L338 I339 D340D332-S336 PolarHBondContact O-N 2.68Å; D332-S336 PolarHBondContact O-OG 3.36Å; G333-S336 PolarHBondContact O-N 2.93Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 3.06Å; S336-I339 PolarHBondContact O-N 3Å; S336-D340 PolarHBondContact O-N 3Å
337L65.9Low61.5Low56 Ų5683.1 Ų83.129%0.29345%0.446SS..Hα-helixtrans-67.1-29.5177.5-71.4-176.8000113.6A324 T328 G333 A334 I335 D341 R342 V343A324-L337 HydrophobicContact CB-CB 4.44Å; T328-L337 HydrophobicContact CG2-CD1 3.49Å; T328-L337 VanDerWaalsContact CG2-CD1 3.49Å; T328-L337 HydrophobicContact CG2-CG 4.3Å; G333-L337 PolarHBondContact O-N 2.85Å; A334-L337 PolarHBondContact O-N 3.38Å; I335-L337 PolarHBondContact O-N 2.86Å; L337-D341 PolarHBondContact O-N 3.05Å; L337-R342 PolarHBondContact O-N 3.03Å; L337-V343 HydrophobicContact CB-CG2 4.43Å
338L66.8Low60.2Low16 Ų1684.2 Ų84.28%0.08445%0.445CS..Hα-helixtrans-79-30.3176.3-68.2165000112.7L311 F316 K320 A321 A324 A334 I335 S336 V343L311-L338 HydrophobicContact CD1-CD1 4.28Å; L311-L338 HydrophobicContact CD2-CD1 4.21Å; F316-L338 HydrophobicContact CB-CD1 4.19Å; F316-L338 HydrophobicContact CD1-CB 3.79Å; F316-L338 HydrophobicContact CD1-CD1 4.06Å; F316-L338 HydrophobicContact CD1-CG 4.4Å; F316-L338 HydrophobicContact CE1-CB 3.8Å; F316-L338 HydrophobicContact CG-CD1 4Å; K320-L338 HydrophobicContact CB-CD2 3.69Å; A321-L338 HydrophobicContact CB-CD1 4.26Å; A324-L338 HydrophobicContact CB-CD1 4.21Å; A324-L338 HydrophobicContact CB-CD2 4.05Å; A324-L338 HydrophobicContact CB-CG 3.85Å; A334-L338 WeakPolarHBondContact O-CD1 3.43Å; A334-L338 VanDerWaalsContact O-CG 3.22Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.73Å; A334-L338 VanDerWaalsContact O-N 3.09Å; I335-L338 PolarHBondContact O-N 3.2Å; S336-L338 VanDerWaalsContact C-N 3.3Å; S336-L338 PolarHBondContact O-N 3.06Å; L338-V343 HydrophobicContact CD2-CG2 4.35Å
339I69Low58.6Low115 Ų11586.1 Ų86.159%0.5945%0.452SS*.Hα-helixtrans-76.8-39.6176.4-70.6173.5000111.3F316 I335 S336 D341F316-I339 HydrophobicContact CE1-CG1 4.36Å; F316-I339 HydrophobicContact CZ-CG1 4.19Å; I335-I339 HydrophobicContact CG2-CD1 3.57Å; I335-I339 HydrophobicContact CG2-CG1 4.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.32Å; I335-I339 PolarHBondContact O-N 2.73Å; S336-I339 PolarHBondContact O-N 3Å; I339-D341 PolarHBondContact O-N 3.5Å
340D66.6Low57.1Low93 Ų9382.4 Ų82.450%0.49745%0.451SS..THydrogen-bonded Turntrans-76.1-0.6174.1-85.626.3000113.2S336 R342S336-D340 PolarHBondContact O-N 3Å; D340-R342 HydrophobicContact CB-CG 3.86Å; D340-R342 WeakPolarHBondContact O-CG 3.26Å; D340-R342 PolarHBondContact O-N 2.96Å; D340-R342 VanDerWaalsContact O-N 3.08Å; D340-R342 IonicContact OD2-CZ 3.38Å; D340-R342 IonicContact OD2-NE 2.73Å; D340-R342 PolarHBondContact OD2-NE 2.96Å; D340-R342 IonicContact OD2-NH2 3.12Å; D340-R342 PolarHBondContact OD2-NH2 3Å
341D60.8Low55.5Low94 Ų9481.7 Ų81.750%0.50346%0.46SS..THydrogen-bonded Turntrans43.635.2-174.2-151.210000115.5K320 L337 I339 V343K320-D341 IonicContact NZ-OD1 2.94Å; K320-D341 PolarHBondContact NZ-OD1 2.97Å; K320-D341 IonicContact NZ-OD2 3Å; K320-D341 PolarHBondContact NZ-OD2 3.28Å; L337-D341 PolarHBondContact O-N 3.05Å; I339-D341 PolarHBondContact O-N 3.5Å; D341-V343 PolarHBondContact O-N 2.94Å; D341-V343 VanDerWaalsContact O-N 3.13Å
342R56.5Low53.8Low184 Ų18490.7 Ų90.769%0.69450%0.498SS*.  trans-80.115.7179.9-58.5-176.6-166.3-1242.2113.4L337 D340L337-R342 PolarHBondContact O-N 3.03Å; D340-R342 HydrophobicContact CB-CG 3.86Å; D340-R342 WeakPolarHBondContact O-CG 3.26Å; D340-R342 PolarHBondContact O-N 2.96Å; D340-R342 VanDerWaalsContact O-N 3.08Å; D340-R342 IonicContact OD2-CZ 3.38Å; D340-R342 IonicContact OD2-NE 2.73Å; D340-R342 PolarHBondContact OD2-NE 2.96Å; D340-R342 IonicContact OD2-NH2 3.12Å; D340-R342 PolarHBondContact OD2-NH2 3Å
343V54.9Low52Low12 Ų1288.4 Ų88.47%0.07350%0.501CS..SBendtrans-101.592.7-178-174.50000108.7K320 V323 A324 L337 L338 D341K320-V343 HydrophobicContact CB-CB 4.42Å; K320-V343 HydrophobicContact CB-CG1 4.04Å; K320-V343 HydrophobicContact CD-CB 4.41Å; K320-V343 HydrophobicContact CG-CB 4.38Å; K320-V343 HydrophobicContact CG-CG1 4.08Å; V323-V343 HydrophobicContact CB-CG1 4.01Å; V323-V343 HydrophobicContact CG1-CG1 3.94Å; A324-V343 HydrophobicContact CB-CG2 4.25Å; L337-V343 HydrophobicContact CB-CG2 4.43Å; L338-V343 HydrophobicContact CD2-CG2 4.35Å; D341-V343 PolarHBondContact O-N 2.94Å; D341-V343 VanDerWaalsContact O-N 3.13Å
344G49.3Very low50.1Low60 Ų6096.7 Ų96.762%0.61953%0.529SS*.  trans-55.3141.8-177.400000113.7E346G344-E346 VanDerWaalsContact C-N 3.32Å; G344-E346 PolarHBondContact O-N 2.94Å
345E48.6Very low48.7Very low155 Ų155104.3 Ų104.372%0.72457%0.568SS**THydrogen-bonded Turntrans-82.2-3.8-159.6-48.5-156.9122.600114.9K320 A347K320-E345 WeakPolarHBondContact CE-OE1 3.48Å; K320-E345 IonicContact NZ-OE1 3.42Å; K320-E345 PolarHBondContact NZ-OE1 3.46Å; E345-A347 VanDerWaalsContact C-N 3.27Å; E345-A347 PolarHBondContact O-N 3.08Å
346E43.9Very low47.2Very low176 Ų176107.6 Ų107.682%0.82259%0.592SS**THydrogen-bonded Turntrans-82.75.5-173.1-58.5-169131.200114.8G344 V348G344-E346 VanDerWaalsContact C-N 3.32Å; G344-E346 PolarHBondContact O-N 2.94Å; E346-V348 PolarHBondContact O-N 2.77Å
347A43.5Very low45.5Very low59 Ų59111.9 Ų111.949%0.48861%0.608SS.*  trans-75.153.4-179.200000113.7V323 E345 M349V323-A347 HydrophobicContact CG2-CB 3.92Å; E345-A347 VanDerWaalsContact C-N 3.27Å; E345-A347 PolarHBondContact O-N 3.08Å; A347-M349 PolarHBondContact O-N 2.97Å
348V39.1Very low44.4Very low102 Ų102114.2 Ų114.262%0.61863%0.627SS**  trans-62.7112.5-175.2179.30000112.2E346E346-V348 PolarHBondContact O-N 2.77Å
349M31.9Very low42.9Very low84 Ų84119.8 Ų119.841%0.41466%0.664SS.*  trans-63.4147.4168.9-77-145.5-167.600112.3K300 D319 A347K300-M349 PolarHBondContact NZ-SD 3.09Å; D319-M349 WeakPolarHBondContact OD1-CE 3.34Å; A347-M349 PolarHBondContact O-N 2.97Å
350T30.6Very low41.2Very low117 Ų117125.7 Ų125.772%0.71868%0.679SS**  trans-123.2142.1153.562.50000110.4
351S33.3Very low39.8Very low116 Ų116128.2 Ų128.281%0.81169%0.693SS**  trans-100.795.6-179.441.40000110.2G353S351-G353 PolarHBondContact O-N 3.34Å
352K29.8Very low38.6Very low220 Ų220133.9 Ų133.996%0.95773%0.731SS**  trans-68.1103.1-178.7-160.1171.8-166.5168.60110.9
353G32.2Very low37.7Very low64 Ų64131.4 Ų131.466%0.6673%0.732SS**  trans-140.6126.8-17600000113.9S351S351-G353 PolarHBondContact O-N 3.34Å
354K28.2Very low36.7Very low201 Ų201137.6 Ų137.687%0.87477%0.767SS**  trans72.2111.9162.9-152.5172.4-171.9177.70117.7
355I37Very low36.1Very low160 Ų160141.9 Ų141.982%0.82178%0.775SS**  trans-89.4142.2161.1-61.5162.9000108.3
356P32.7Very low35.3Very low103 Ų103141.2 Ų141.267%0.66978%0.778SS**  trans-147.1109.6134.433-14.3000115.3
357L34.4Very low34.8Very low162 Ų162139 Ų13985%0.84878%0.776SS**  trans60.9159.7141.4-72.1162.2000120.7
358P42.4Very low34.2Very low106 Ų106144.3 Ų144.369%0.68880%0.795SS**  trans-98.5164.8-161.338.7-37.5000115.2
359P36.2Very low33.8Very low132 Ų132147.4 Ų147.486%0.85781%0.807SS**  trans-69.3151.5165.531.4-35.4000111.8
360R34Very low34Very low239 Ų239152.2 Ų152.290%0.90284%0.838SS**  trans-126.8143.5170.1-177.8175.9178.2173.4-0108.9
361N35.8Very low34.3Very low147 Ų147155.2 Ų155.279%0.78685%0.848SS**  trans-51.5143-168.7-46.112.2000114.9
362T35.3Very low34.4Very low212 Ų212158.7 Ų158.7100%1.30185%0.851SS**  -122.60124.9560000107.6

Retrieved 362 of 362 residues in 148 ms (Link to these results)