A0A060Y1M3_ONCMY Loading...

Transmembrane protein 59

Acts as a regulator of autophagy in response to S.aureus infection by promoting activation of LC3 (MAP1LC3A, MAP1LC3B or MAP1LC3C). Acts by interacting with ATG16L1, leading to promote a functional complex between LC3 and ATG16L1 and promoting LC3 lipidation and subsequent activation of autophagy. Modulates the O-glycosylation and complex N-glycosylation steps occurring during the Golgi maturation of several proteins such as APP, BACE1, SEAP or PRNP. Inhibits APP transport to the cell surface and further shedding.

AlphaFold DB , UniProt , Accession A0A060Y1M3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tmem59, Length 328 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
1M52.4Low63.6Low217 Ų217136.8 Ų136.8100%1.06967%0.667SS**  0-35.10-76.6-178.7-162.900115.2
2R52.2Low64.3Low236 Ų236131.5 Ų131.589%0.89165%0.654SS**Hα-helixtrans-64.9-38.7-179.8-79.5-179.2175.8173.5-1.8114.7L4 K5 S6R2-L4 VanDerWaalsContact C-N 3.35Å; R2-L4 PolarHBondContact O-N 3.47Å; R2-K5 PolarHBondContact O-N 3.48Å; R2-S6 PolarHBondContact O-N 3.14Å
3A54.6Low65Low83 Ų83128.8 Ų128.869%0.68664%0.643SS**Hα-helixtrans-63.7-36.8178.800000113.4S6 F7A3-S6 PolarHBondContact O-N 3.13Å; A3-F7 PolarHBondContact O-N 3.28Å
4L55Low65.3Low115 Ų115124.5 Ų124.560%0.60263%0.63SS**Hα-helixtrans-71.1-32.9-178.9-153.677.4000112.5R2 R8R2-L4 VanDerWaalsContact C-N 3.35Å; R2-L4 PolarHBondContact O-N 3.47Å; L4-R8 WeakPolarHBondContact O-CG 3.34Å; L4-R8 PolarHBondContact O-N 3.4Å
5K57.8Low65.5Low162 Ų162125 Ų12570%0.70463%0.626SS**Hα-helixtrans-68.7-42.8172.1-83.5-173.8173.9-175.60111.3R2 F7 R8 V9R2-K5 PolarHBondContact O-N 3.48Å; K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3.11Å; K5-R8 PolarHBondContact O-N 3.36Å; K5-V9 WeakPolarHBondContact O-CG2 3.37Å; K5-V9 PolarHBondContact O-N 3.46Å; K5-V9 VanDerWaalsContact O-N 3.08Å
6S63.5Low65.6Low72 Ų72122.6 Ų122.650%0.50362%0.62SS.*Hα-helixtrans-62.5-39.1177.3-161.50000112.1R2 A3 V9 F10R2-S6 PolarHBondContact O-N 3.14Å; A3-S6 PolarHBondContact O-N 3.13Å; S6-V9 PolarHBondContact O-N 3.08Å; S6-F10 PolarHBondContact O-N 3.27Å
7F69.1Low65.2Low140 Ų140121.4 Ų121.461%0.61462%0.615SS**Hα-helixtrans-66.3-42.6177.3-172.5-101.4000112.4A3 K5 V9 F10 V11A3-F7 PolarHBondContact O-N 3.28Å; K5-F7 VanDerWaalsContact C-N 3.31Å; K5-F7 PolarHBondContact O-N 3.11Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.32Å; F7-F10 PolarHBondContact O-N 2.92Å; F7-V11 HydrophobicContact CD1-CG2 4.14Å; F7-V11 HydrophobicContact CE1-CG2 3.79Å; F7-V11 HydrophobicContact CE2-CG2 4.42Å; F7-V11 HydrophobicContact CZ-CG2 3.95Å; F7-V11 WeakPolarHBondContact O-CG2 3.3Å; F7-V11 PolarHBondContact O-N 2.9Å
8R70.1Confident64.9Low183 Ų183117.7 Ų117.769%0.69161%0.606SS**Hα-helixtrans-63.6-38.1175.8-75-176.7173.5-172-2.3112.8L4 K5 S12L4-R8 WeakPolarHBondContact O-CG 3.34Å; L4-R8 PolarHBondContact O-N 3.4Å; K5-R8 PolarHBondContact O-N 3.36Å; R8-S12 WeakPolarHBondContact O-CB 3.35Å; R8-S12 PolarHBondContact O-N 3.13Å
9V73.8Confident64.6Low99 Ų99120.5 Ų120.560%0.661%0.61SS**Hα-helixtrans-66.4-42.5175.31730000110.8K5 S6 F7 S12 L13K5-V9 WeakPolarHBondContact O-CG2 3.37Å; K5-V9 PolarHBondContact O-N 3.46Å; K5-V9 VanDerWaalsContact O-N 3.08Å; S6-V9 PolarHBondContact O-N 3.08Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-N 3.42Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 PolarHBondContact O-N 3.14Å
10F73.6Confident64.1Low132 Ų132118.5 Ų118.558%0.57960%0.604SS**Hα-helixtrans-63.7-45176.9-119.1-87.7000112.4S6 F7 S12 L13 C14S6-F10 PolarHBondContact O-N 3.27Å; F7-F10 PolarHBondContact O-N 2.92Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.19Å; F10-L13 PolarHBondContact O-N 3.4Å; F10-C14 WeakPolarHBondContact O-CB 3.23Å; F10-C14 PolarHBondContact O-N 3.33Å; F10-C14 PolarHBondContact O-SG 3.18Å
11V77.3Confident63.4Low66 Ų66117.6 Ų117.640%0.461%0.608SS.*Hα-helixtrans-64.1-40177.5173.40000111F7 C14 F15F7-V11 HydrophobicContact CD1-CG2 4.14Å; F7-V11 HydrophobicContact CE1-CG2 3.79Å; F7-V11 HydrophobicContact CE2-CG2 4.42Å; F7-V11 HydrophobicContact CZ-CG2 3.95Å; F7-V11 WeakPolarHBondContact O-CG2 3.3Å; F7-V11 PolarHBondContact O-N 2.9Å; V11-C14 PolarHBondContact O-N 3.32Å; V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.44Å
12S72.9Confident63.1Low73 Ų73111 Ų11151%0.5159%0.588SS.*Hα-helixtrans-65.3-40175.1-170.20000112.3R8 V9 F10 F15 V16R8-S12 WeakPolarHBondContact O-CB 3.35Å; R8-S12 PolarHBondContact O-N 3.13Å; V9-S12 PolarHBondContact O-N 3.42Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.19Å; S12-F15 PolarHBondContact O-N 3.39Å; S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 3.37Å
13L72.3Confident62.8Low97 Ų97104.4 Ų104.451%0.50857%0.574SS.*Hα-helixtrans-66.3-42.4176.7-16687.7000110.9V9 F10 F15 V16 L17V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 PolarHBondContact O-N 3.14Å; F10-L13 PolarHBondContact O-N 3.4Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-V16 PolarHBondContact O-N 3.25Å; L13-L17 HydrophobicContact CD2-CD1 4.23Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.16Å
14C69.4Low62.4Low68 Ų68104 Ų10446%0.45957%0.571SS.*Hα-helixtrans-64.8-37.2174.7-69.40000112.1F10 V11 A18F10-C14 WeakPolarHBondContact O-CB 3.23Å; F10-C14 PolarHBondContact O-N 3.33Å; F10-C14 PolarHBondContact O-SG 3.18Å; V11-C14 PolarHBondContact O-N 3.32Å; C14-A18 VanDerWaalsContact O-CB 3.26Å; C14-A18 WeakPolarHBondContact O-CB 3.34Å; C14-A18 PolarHBondContact O-N 2.93Å
15F68.1Low62.1Low132 Ų132102.3 Ų102.358%0.57956%0.562SS**Hα-helixtrans-62.7-50.9173-116.9-100.2000110.5V11 S12 L13 L17 A18 Y19V11-F15 WeakPolarHBondContact O-CB 3.44Å; V11-F15 PolarHBondContact O-N 3.44Å; S12-F15 PolarHBondContact O-N 3.39Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.14Å; F15-A18 PolarHBondContact O-N 3.21Å; F15-Y19 HydrophobicContact CD1-CD2 4.04Å; F15-Y19 AromaticContact CD1-CE2 3.53Å; F15-Y19 HydrophobicContact CD1-CE2 3.53Å; F15-Y19 AromaticContact CE1-CE2 3.74Å; F15-Y19 HydrophobicContact CE1-CE2 3.74Å; F15-Y19 VanDerWaalsContact O-CD2 3.27Å; F15-Y19 WeakPolarHBondContact O-CD2 3.45Å; F15-Y19 PolarHBondContact O-N 3.48Å
16V67.7Low62Low87 Ų87100.2 Ų100.253%0.52756%0.563SS.*Hα-helixtrans-59.8-43.4178.3173.80000111.5S12 L13 A18 Y19 T20S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.32Å; S12-V16 PolarHBondContact O-N 3.37Å; L13-V16 PolarHBondContact O-N 3.25Å; V16-A18 PolarHBondContact O-N 2.93Å; V16-Y19 PolarHBondContact O-N 3.25Å; V16-T20 WeakPolarHBondContact O-CG2 3.38Å; V16-T20 PolarHBondContact O-N 3.48Å; V16-T20 PolarHBondContact O-OG1 3.21Å
17L59.5Low61.4Low101 Ų101102.8 Ų102.853%0.52957%0.566SS.*Hα-helixtrans-63.7-38.6177.1-73.5168.4000112.6L13 F15 T20 S21L13-L17 HydrophobicContact CD2-CD1 4.23Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 3.16Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.14Å; L17-T20 WeakPolarHBondContact CA-OG1 3.27Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 3.18Å; L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.44Å
18A59.7Low60.7Low56 Ų5699.2 Ų99.246%0.46355%0.553SS.*Hα-helixtrans-66.3-38.8175.800000112.3C14 F15 V16 T20 S21 A22C14-A18 VanDerWaalsContact O-CB 3.26Å; C14-A18 WeakPolarHBondContact O-CB 3.34Å; C14-A18 PolarHBondContact O-N 2.93Å; F15-A18 PolarHBondContact O-N 3.21Å; V16-A18 PolarHBondContact O-N 2.93Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-S21 WeakPolarHBondContact CA-OG 3.36Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 3.38Å; A18-A22 PolarHBondContact O-N 3.03Å
19Y58.7Low60.1Low170 Ų17094.2 Ų94.267%0.66756%0.558SS**Hα-helixtrans-66.6-35.4173.5-87.7-93.8000112F15 V16 A22F15-Y19 HydrophobicContact CD1-CD2 4.04Å; F15-Y19 AromaticContact CD1-CE2 3.53Å; F15-Y19 HydrophobicContact CD1-CE2 3.53Å; F15-Y19 AromaticContact CE1-CE2 3.74Å; F15-Y19 HydrophobicContact CE1-CE2 3.74Å; F15-Y19 VanDerWaalsContact O-CD2 3.27Å; F15-Y19 WeakPolarHBondContact O-CD2 3.45Å; F15-Y19 PolarHBondContact O-N 3.48Å; V16-Y19 PolarHBondContact O-N 3.25Å; Y19-A22 PolarHBondContact O-N 2.99Å
20T53.8Low59.2Low81 Ų8193.8 Ų93.850%0.49756%0.555SS.*Hα-helixtrans-75.5-25176.155.30000114V16 L17 A18 A22 T23V16-T20 WeakPolarHBondContact O-CG2 3.38Å; V16-T20 PolarHBondContact O-N 3.48Å; V16-T20 PolarHBondContact O-OG1 3.21Å; L17-T20 WeakPolarHBondContact CA-OG1 3.27Å; L17-T20 PolarHBondContact O-N 3.03Å; L17-T20 PolarHBondContact O-OG1 3.18Å; A18-T20 VanDerWaalsContact C-N 3.35Å; T20-A22 VanDerWaalsContact C-N 3.29Å; T20-T23 PolarHBondContact O-OG1 3.03Å
21S49.3Very low58.7Low99 Ų9988.4 Ų88.469%0.69253%0.532SS*.Hα-helixtrans-79.2-12.2174.554.60000113.8L17 A18L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.44Å; A18-S21 WeakPolarHBondContact CA-OG 3.36Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-S21 PolarHBondContact O-OG 3.38Å
22A46.3Very low58.1Low78 Ų7885.9 Ų85.965%0.64552%0.52SS*.THydrogen-bonded Turntrans-934.1-179.800000113.5A18 Y19 T20 A24A18-A22 PolarHBondContact O-N 3.03Å; Y19-A22 PolarHBondContact O-N 2.99Å; T20-A22 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.93Å
23T46.1Very low58.1Low99 Ų9987.1 Ų87.161%0.60752%0.521SS*.  trans-79.667.1166.162.20000108.9T20 D25T20-T23 PolarHBondContact O-OG1 3.03Å; T23-D25 PolarHBondContact O-N 3.2Å
24A46.9Very low58.5Low75 Ų7582.8 Ų82.862%0.6250%0.499SS*.  trans-55.1132.9146.500000105.9A22 V26A22-A24 PolarHBondContact O-N 2.93Å; A24-V26 PolarHBondContact O-N 3.45Å
25D49.2Very low59.2Low78 Ų7882.1 Ų82.142%0.41750%0.498SS..  trans-34.8112.7-175.5-76.6-99.9000110.9T23 F27 D28 R64T23-D25 PolarHBondContact O-N 3.2Å; D25-F27 PolarHBondContact O-N 3.43Å; D25-D28 WeakPolarHBondContact O-CB 3.33Å; D25-D28 PolarHBondContact O-N 2.99Å; D25-R64 IonicContact OD1-CZ 2.71Å; D25-R64 IonicContact OD1-NH1 3.95Å; D25-R64 PolarHBondContact OD1-NH1 3.33Å; D25-R64 IonicContact OD1-NH2 3.99Å; D25-R64 PolarHBondContact OD1-NH2 3.08Å
26V55.1Low60.2Low118 Ų11878.5 Ų78.572%0.71549%0.489SS*.THydrogen-bonded Turntrans-54.4-18.7-179.7175.10000111.7A24A24-V26 PolarHBondContact O-N 3.45Å
27F51.2Low61.3Low127 Ų12774.3 Ų74.356%0.55746%0.464SS*.THydrogen-bonded Turntrans-83.3-17.1177.2-61.7-77.9000114.9D25 G29 V30 L31D25-F27 PolarHBondContact O-N 3.43Å; F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 3.34Å; F27-V30 PolarHBondContact O-N 3.44Å; F27-V30 VanDerWaalsContact O-N 3.07Å; F27-L31 HydrophobicContact CB-CD1 3.65Å; F27-L31 HydrophobicContact CB-CG 4.19Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 WeakPolarHBondContact O-CG 3.24Å; F27-L31 PolarHBondContact O-N 2.92Å
28D54.5Low62.8Low65 Ų6571.9 Ų71.935%0.34845%0.449SS..Hα-helixtrans-65.1-30.8-180-91.6-4.6000112.4D25 V30 G32D25-D28 WeakPolarHBondContact O-CB 3.33Å; D25-D28 PolarHBondContact O-N 2.99Å; D28-V30 VanDerWaalsContact C-N 3.25Å; D28-V30 PolarHBondContact O-N 2.99Å; D28-G32 PolarHBondContact O-N 3.28Å
29G56.1Low64.3Low77 Ų7775.9 Ų75.979%0.79446%0.456SS*.Hα-helixtrans-68.1-23174.900000113.8F27F27-G29 VanDerWaalsContact C-N 3.25Å; F27-G29 PolarHBondContact O-N 3.34Å
30V56.4Low65.8Low91 Ų9170.3 Ų70.355%0.55244%0.44SS*.Hα-helixtrans-107.9-38.7-174.2179.90000112F27 D28 G32 F71F27-V30 PolarHBondContact O-N 3.44Å; F27-V30 VanDerWaalsContact O-N 3.07Å; D28-V30 VanDerWaalsContact C-N 3.25Å; D28-V30 PolarHBondContact O-N 2.99Å; V30-G32 VanDerWaalsContact C-N 3.25Å; V30-G32 PolarHBondContact O-N 2.99Å; V30-F71 HydrophobicContact CG1-CD2 4.06Å; V30-F71 HydrophobicContact CG1-CE2 3.6Å; V30-F71 HydrophobicContact CG1-CZ 3.97Å
31L61.9Low67.6Low18 Ų1866.4 Ų66.49%0.09442%0.416CS..Hα-helixtrans-81.1-8.8177.5-63.1175.7000112.5F27 S67 I68 F71F27-L31 HydrophobicContact CB-CD1 3.65Å; F27-L31 HydrophobicContact CB-CG 4.19Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 WeakPolarHBondContact O-CG 3.24Å; F27-L31 PolarHBondContact O-N 2.92Å; L31-S67 WeakPolarHBondContact O-CB 3.48Å; L31-S67 PolarHBondContact O-OG 3.46Å; L31-I68 HydrophobicContact CD1-CD1 4.38Å; L31-I68 HydrophobicContact CD1-CG1 3.76Å; L31-I68 HydrophobicContact CD2-CB 4.37Å; L31-I68 HydrophobicContact CD2-CG1 3.73Å; L31-I68 HydrophobicContact CG-CG1 4.41Å; L31-F71 HydrophobicContact CD2-CB 4.09Å; L31-F71 HydrophobicContact CD2-CG 4.4Å
32G65.2Low69.6Low14 Ų1466.9 Ų66.914%0.14441%0.407CS..  trans75.4158.3179.700000113.2D28 V30 T34D28-G32 PolarHBondContact O-N 3.28Å; V30-G32 VanDerWaalsContact C-N 3.25Å; V30-G32 PolarHBondContact O-N 2.99Å; G32-T34 PolarHBondContact O-N 3.37Å
33N73Confident71.5Confident99 Ų9970.1 Ų70.153%0.52941%0.411SS..  trans-62.9115.1-171.8-169.1-1.3000112.8A35 R116N33-A35 WeakPolarHBondContact OD1-CB 3.34Å; N33-A35 PolarHBondContact OD1-N 3.26Å; N33-R116 PolarHBondContact O-NH2 3.22Å
34T80.8Confident73.5Confident6 Ų668.7 Ų68.74%0.03740%0.402CS..  trans-93.6-1.4174.757.80000113.3G32 S36 C37 H38G32-T34 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact O-N 2.88Å; T34-C37 PolarHBondContact O-N 3.36Å; T34-H38 PolarHBondContact O-N 3.37Å; T34-H38 PolarHBondContact OG1-CE1 2.87Å
35A84.1Confident75.3Confident53 Ų5365.5 Ų65.544%0.43837%0.374SS..Hα-helixtrans-59.4-33.6-174.700000113.1N33 H38 K39N33-A35 WeakPolarHBondContact OD1-CB 3.34Å; N33-A35 PolarHBondContact OD1-N 3.26Å; A35-H38 PolarHBondContact O-N 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.88Å
36S88.4Confident76.7Confident56 Ų5663.5 Ų63.539%0.39237%0.366SS..Hα-helixtrans-63.7-43.5175.3-56.90000111.8T34 K39 T40T34-S36 PolarHBondContact O-N 2.88Å; S36-K39 PolarHBondContact O-N 3.29Å; S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 2.95Å
37C91.1Very high77.5Confident0 Ų063.1 Ų63.10%036%0.36CS..Hα-helixtrans-71.2-39.3177.2-175.40000111.7T34 K39 T40 C41 C63 G105T34-C37 PolarHBondContact O-N 3.36Å; C37-K39 VanDerWaalsContact C-N 3.28Å; C37-K39 PolarHBondContact O-N 3.46Å; C37-T40 WeakPolarHBondContact O-CA 3.43Å; C37-T40 WeakPolarHBondContact O-CB 3.45Å; C37-T40 PolarHBondContact O-N 3.3Å; C37-C41 PolarHBondContact O-N 3.33Å; C37-C63 VanDerWaalsContact C-SG 3.59Å; C37-C63 HydrophobicContact CB-CB 3.69Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CB 3.26Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 3.01Å; C37-G105 PolarHBondContact SG-O 3.49Å; C37-G105 VanDerWaalsContact SG-O 3.41Å
38H91.1Very high78.4Confident49 Ų4966.2 Ų66.223%0.22738%0.376CS..Hα-helixtrans-59.6-38.8174-70162.2000112.6T34 A35 C41 Q42 Q60T34-H38 PolarHBondContact O-N 3.37Å; T34-H38 PolarHBondContact OG1-CE1 2.87Å; A35-H38 PolarHBondContact O-N 3.26Å; H38-C41 PolarHBondContact O-N 2.91Å; H38-Q42 WeakPolarHBondContact O-CG 3.47Å; H38-Q42 PolarHBondContact O-N 3.43Å; H38-Q60 HydrophobicContact CB-CG 4.49Å; H38-Q60 PolarHBondContact NE2-O 2.77Å; H38-Q60 VanDerWaalsContact NE2-O 3.13Å
39K90.9Very high79.3Confident141 Ų14168.2 Ų68.261%0.61339%0.39SS*.Hα-helixtrans-63.6-41.3173.6-169.8176.7-178178.40111.7A35 S36 C37 Q42 M43A35-K39 WeakPolarHBondContact O-CB 3.48Å; A35-K39 PolarHBondContact O-N 2.88Å; S36-K39 PolarHBondContact O-N 3.29Å; C37-K39 VanDerWaalsContact C-N 3.28Å; C37-K39 PolarHBondContact O-N 3.46Å; K39-Q42 PolarHBondContact O-N 2.83Å; K39-M43 VanDerWaalsContact O-CG 3.3Å; K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 3.33Å; K39-M43 VanDerWaalsContact O-N 3.07Å
40T90.9Very high80.1Confident52 Ų5268.7 Ų68.732%0.31937%0.369SS..Hα-helixtrans-60.4-46.7173.3-54.20000111S36 C37 Q42 M43 T44S36-T40 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact O-OG1 2.95Å; C37-T40 WeakPolarHBondContact O-CA 3.43Å; C37-T40 WeakPolarHBondContact O-CB 3.45Å; C37-T40 PolarHBondContact O-N 3.3Å; T40-Q42 PolarHBondContact O-N 3.39Å; T40-M43 PolarHBondContact O-N 2.95Å; T40-T44 PolarHBondContact O-N 3.37Å; T40-T44 PolarHBondContact O-OG1 3.18Å
41C91.2Very high80.6Confident0 Ų070 Ų700%038%0.379CS..Hα-helixtrans-58.6-43.2176-70.30000112.6C37 H38 M43 T44 Y45 L56 C59 Q60C37-C41 PolarHBondContact O-N 3.33Å; H38-C41 PolarHBondContact O-N 2.91Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 2.71Å; C41-T44 PolarHBondContact O-N 3.34Å; C41-Y45 PolarHBondContact O-N 3.42Å; C41-L56 HydrophobicContact CB-CD1 4.23Å; C41-L56 WeakPolarHBondContact O-CD1 3.24Å; C41-C59 HydrophobicContact CB-CB 3.77Å; C41-C59 WeakPolarHBondContact CB-SG 3.09Å; C41-C59 WeakPolarHBondContact SG-CB 3.1Å; C41-C59 CovalentContact SG-SG 2.05Å; C41-C59 PolarHBondContact SG-SG 3.15Å; C41-Q60 HydrophobicContact CB-CG 4.16Å
42Q90.8Very high81.2Confident108 Ų10875.1 Ų75.151%0.50540%0.397SS..Hα-helixtrans-63.8-34.7177.5-74.2174.7-0.500113.2H38 K39 T40 S46 L56H38-Q42 WeakPolarHBondContact O-CG 3.47Å; H38-Q42 PolarHBondContact O-N 3.43Å; K39-Q42 PolarHBondContact O-N 2.83Å; T40-Q42 PolarHBondContact O-N 3.39Å; Q42-S46 PolarHBondContact O-N 3.3Å; Q42-L56 HydrophobicContact CB-CD1 4.48Å; Q42-L56 HydrophobicContact CG-CD1 4.15Å
43M87.9Confident82Confident146 Ų14680.8 Ų80.872%0.71942%0.42SS*.Hα-helixtrans-73.5-37.8176.3-68.2-64.8-62.300111.7K39 T40 C41K39-M43 VanDerWaalsContact O-CG 3.3Å; K39-M43 WeakPolarHBondContact O-CG 3.39Å; K39-M43 PolarHBondContact O-N 3.33Å; K39-M43 VanDerWaalsContact O-N 3.07Å; T40-M43 PolarHBondContact O-N 2.95Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 2.71Å
44T86.8Confident82.7Confident69 Ų6980.7 Ų80.742%0.42342%0.417SS..Hα-helixtrans-75.3-47.4-179.6-50.40000112.2T40 C41 S46 L104T40-T44 PolarHBondContact O-N 3.37Å; T40-T44 PolarHBondContact O-OG1 3.18Å; C41-T44 PolarHBondContact O-N 3.34Å; T44-S46 PolarHBondContact O-N 2.91Å; T44-L104 HydrophobicContact CG2-CD2 3.67Å
45Y84.1Confident83Confident8 Ų880.6 Ų80.63%0.03142%0.416CS..THydrogen-bonded Turntrans-10257.3178.6-66.5-75.3000110.6C41 Y50 E55 C59 A101 L104C41-Y45 PolarHBondContact O-N 3.42Å; Y45-Y50 HydrophobicContact CD1-CD1 4.47Å; Y45-Y50 AromaticContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 AromaticContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CE1-CD2 4.18Å; Y45-Y50 AromaticContact CE1-CE2 3.96Å; Y45-Y50 HydrophobicContact CE1-CE2 3.96Å; Y45-E55 HydrophobicContact CD1-CB 3.81Å; Y45-E55 HydrophobicContact CE1-CB 3.85Å; Y45-E55 WeakPolarHBondContact CE1-OE2 2.81Å; Y45-E55 HydrophobicContact CG-CB 4.4Å; Y45-C59 HydrophobicContact CD2-CB 4.02Å; Y45-C59 HydrophobicContact CE2-CB 4.04Å; Y45-A101 HydrophobicContact CE1-CB 4.34Å; Y45-A101 HydrophobicContact CE2-CB 3.73Å; Y45-A101 VanDerWaalsContact OH-CA 3.27Å; Y45-A101 WeakPolarHBondContact OH-CA 3.44Å; Y45-A101 WeakPolarHBondContact OH-CB 3.38Å; Y45-L104 HydrophobicContact CD2-CD2 4.48Å; Y45-L104 HydrophobicContact CE2-CD2 3.67Å
46S79.6Confident83.3Confident37 Ų3779.5 Ų79.526%0.25940%0.402SS..  trans-68.5137.1174.478.30000110.1Q42 T44 H48 T49 Y50Q42-S46 PolarHBondContact O-N 3.3Å; T44-S46 PolarHBondContact O-N 2.91Å; S46-H48 PolarHBondContact O-N 3.34Å; S46-T49 PolarHBondContact O-N 3.42Å; S46-T49 PolarHBondContact OG-OG1 3.11Å; S46-Y50 PolarHBondContact O-N 3.35Å
47L72.7Confident83.4Confident109 Ų10982.8 Ų82.857%0.57141%0.407SS*.THydrogen-bonded Turntrans-53.9-22.2177.2-81.7151.6000114.1Y50 E53L47-Y50 CarbonylContact C-O 3.53Å; L47-Y50 WeakPolarHBondContact CA-O 3.33Å; L47-E53 HydrophobicContact CD2-CG 3.67Å
48H70Confident83.5Confident193 Ų19382.8 Ų82.889%0.89441%0.407SS*.THydrogen-bonded Turntrans-77.1-29.7177.2-98.1-64.4000113.6S46S46-H48 PolarHBondContact O-N 3.34Å
49T72.8Confident83.6Confident107 Ų10780.5 Ų80.566%0.65640%0.396SS*.THydrogen-bonded Turntrans-100.9-32.4-178.6-47.50000111.2S46S46-T49 PolarHBondContact O-N 3.42Å; S46-T49 PolarHBondContact OG-OG1 3.11Å
50Y72.4Confident83.6Confident86 Ų8675.9 Ų75.934%0.33738%0.377SS..  trans-118.1114177.1-96.7-82.3000110.4Y45 S46 L47 R52 E55Y45-Y50 HydrophobicContact CD1-CD1 4.47Å; Y45-Y50 AromaticContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CD2 3.75Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 AromaticContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CD1-CG 3.97Å; Y45-Y50 HydrophobicContact CE1-CD2 4.18Å; Y45-Y50 AromaticContact CE1-CE2 3.96Å; Y45-Y50 HydrophobicContact CE1-CE2 3.96Å; S46-Y50 PolarHBondContact O-N 3.35Å; L47-Y50 CarbonylContact C-O 3.53Å; L47-Y50 WeakPolarHBondContact CA-O 3.33Å; Y50-R52 PolarHBondContact O-N 3.33Å; Y50-E55 VanDerWaalsContact CD1-CD 3.43Å; Y50-E55 VanDerWaalsContact CD1-OE1 3.24Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.27Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.09Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.11Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.18Å
51P66.8Low83.7Confident120 Ų12079.4 Ų79.478%0.77938%0.384SS*.SBendtrans-75.6-9.5-18030-33.8000113.3
52R75Confident83.8Confident124 Ų12479.4 Ų79.447%0.46838%0.384SS..  trans-101.5121.3179.6-66.6-167.7176.8173.20.2111.1Y50 E54 E97Y50-R52 PolarHBondContact O-N 3.33Å; R52-E54 PolarHBondContact O-N 3.42Å; R52-E97 IonicContact NH1-OE2 2.91Å
53E82.3Confident83.9Confident133 Ų13374.2 Ų74.262%0.62136%0.36SS*.Hα-helixtrans-74-16.3175.7-69.1179.6177.700113L47 E55 L56 Y57L47-E53 HydrophobicContact CD2-CG 3.67Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.35Å; E53-L56 PolarHBondContact O-N 2.97Å; E53-Y57 PolarHBondContact O-N 2.04Å; E53-Y57 VanDerWaalsContact O-N 3.11Å
54E86.7Confident84.1Confident98 Ų9871.5 Ų71.546%0.45834%0.342SS..Hα-helixtrans-60.2-42.4-177-61.8171.2-171.900111.6R52 Y57 A58R52-E54 PolarHBondContact O-N 3.42Å; E54-Y57 PolarHBondContact O-N 3.09Å; E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.32Å
55E87.8Confident84.3Confident4 Ų470 Ų702%0.01933%0.331CS..Hα-helixtrans-69.6-40180-61.1174.1-139.100112.3Y45 Y50 E53 Y57 A58 C59 E97 A101Y45-E55 HydrophobicContact CD1-CB 3.81Å; Y45-E55 HydrophobicContact CE1-CB 3.85Å; Y45-E55 WeakPolarHBondContact CE1-OE2 2.81Å; Y45-E55 HydrophobicContact CG-CB 4.4Å; Y50-E55 VanDerWaalsContact CD1-CD 3.43Å; Y50-E55 VanDerWaalsContact CD1-OE1 3.24Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.27Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.09Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.11Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.18Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.35Å; E55-Y57 VanDerWaalsContact C-N 3.29Å; E55-Y57 PolarHBondContact O-N 2.91Å; E55-A58 PolarHBondContact O-N 3.27Å; E55-C59 PolarHBondContact O-N 2.95Å; E55-E97 HydrophobicContact CG-CB 4.42Å; E55-A101 HydrophobicContact CB-CB 4.09Å; E55-A101 VanDerWaalsContact O-CB 3.28Å; E55-A101 WeakPolarHBondContact O-CB 3.12Å
56L90.3Very high84.7Confident30 Ų3069.6 Ų69.616%0.15733%0.33CS..Hα-helixtrans-60.1-44174.9176.867.1000110.6C41 Q42 E53 C59 Q60C41-L56 HydrophobicContact CB-CD1 4.23Å; C41-L56 WeakPolarHBondContact O-CD1 3.24Å; Q42-L56 HydrophobicContact CB-CD1 4.48Å; Q42-L56 HydrophobicContact CG-CD1 4.15Å; E53-L56 PolarHBondContact O-N 2.97Å; L56-C59 PolarHBondContact O-N 3.47Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.03Å; L56-Q60 VanDerWaalsContact O-N 3.08Å
57Y90Very high85.2Confident124 Ų12468 Ų6849%0.48632%0.318SS..Hα-helixtrans-68.9-38.2179.1-173.9-109.2000112.1E53 E54 E55 Q60 R61E53-Y57 PolarHBondContact O-N 2.04Å; E53-Y57 VanDerWaalsContact O-N 3.11Å; E54-Y57 PolarHBondContact O-N 3.09Å; E55-Y57 VanDerWaalsContact C-N 3.29Å; E55-Y57 PolarHBondContact O-N 2.91Å; Y57-Q60 PolarHBondContact O-N 2.88Å; Y57-R61 HydrophobicContact CE1-CG 4.33Å; Y57-R61 PolarHBondContact O-N 3.4Å; Y57-R61 PolarHBondContact OH-NE 3.45Å; Y57-R61 PolarHBondContact OH-NH2 2.92Å; Y57-R61 VanDerWaalsContact OH-NH2 3.16Å
58A93.2Very high85.9Confident1 Ų165.8 Ų65.81%0.00831%0.307CS..Hα-helixtrans-61.1-42.5173.300000112E54 E55 R61 G62 Y93 E98 A101E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.32Å; E55-A58 PolarHBondContact O-N 3.27Å; A58-R61 WeakPolarHBondContact O-CB 3.05Å; A58-R61 PolarHBondContact O-N 3.42Å; A58-G62 PolarHBondContact O-N 3.46Å; A58-Y93 HydrophobicContact CB-CE1 4.15Å; A58-Y93 HydrophobicContact CB-CE2 4.43Å; A58-E98 HydrophobicContact CB-CB 4.21Å; A58-A101 HydrophobicContact CB-CB 4.14Å
59C93.4Very high86.9Confident0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-61.7-46.1174.6-1740000112.3C41 Y45 E55 L56 R61 G62 C63 A101C41-C59 HydrophobicContact CB-CB 3.77Å; C41-C59 WeakPolarHBondContact CB-SG 3.09Å; C41-C59 WeakPolarHBondContact SG-CB 3.1Å; C41-C59 CovalentContact SG-SG 2.05Å; C41-C59 PolarHBondContact SG-SG 3.15Å; Y45-C59 HydrophobicContact CD2-CB 4.02Å; Y45-C59 HydrophobicContact CE2-CB 4.04Å; E55-C59 PolarHBondContact O-N 2.95Å; L56-C59 PolarHBondContact O-N 3.47Å; C59-R61 VanDerWaalsContact C-N 3.29Å; C59-R61 PolarHBondContact O-N 3.46Å; C59-G62 WeakPolarHBondContact O-CA 3.44Å; C59-G62 PolarHBondContact O-N 3.47Å; C59-G62 VanDerWaalsContact O-N 3.09Å; C59-C63 PolarHBondContact O-N 3.32Å; C59-C63 PolarHBondContact O-SG 3.49Å; C59-A101 VanDerWaalsContact CA-O 3.23Å; C59-A101 WeakPolarHBondContact CA-O 3.47Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.47Å
60Q92.1Very high87.5Confident44 Ų4454.7 Ų54.721%0.20625%0.249CC..Hα-helixtrans-64.2-35.1178.3-70.2177.35.600112.6H38 C41 L56 Y57 C63 R64H38-Q60 HydrophobicContact CB-CG 4.49Å; H38-Q60 PolarHBondContact NE2-O 2.77Å; H38-Q60 VanDerWaalsContact NE2-O 3.13Å; C41-Q60 HydrophobicContact CB-CG 4.16Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.03Å; L56-Q60 VanDerWaalsContact O-N 3.08Å; Y57-Q60 PolarHBondContact O-N 2.88Å; Q60-C63 PolarHBondContact O-N 2.85Å; Q60-R64 PolarHBondContact O-N 2.98Å
61R91.8Very high88.1Confident126 Ų12656.9 Ų56.948%0.47526%0.261SS..Hα-helixtrans-64.6-42.5170.2-88.2-179171.21760.6111.9Y57 A58 C59 C63 R64 L65 Y93Y57-R61 HydrophobicContact CE1-CG 4.33Å; Y57-R61 PolarHBondContact O-N 3.4Å; Y57-R61 PolarHBondContact OH-NE 3.45Å; Y57-R61 PolarHBondContact OH-NH2 2.92Å; Y57-R61 VanDerWaalsContact OH-NH2 3.16Å; A58-R61 WeakPolarHBondContact O-CB 3.05Å; A58-R61 PolarHBondContact O-N 3.42Å; C59-R61 VanDerWaalsContact C-N 3.29Å; C59-R61 PolarHBondContact O-N 3.46Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 2.88Å; R61-R64 PolarHBondContact O-N 2.94Å; R61-R64 VanDerWaalsContact O-N 3.15Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 PolarHBondContact O-N 3.15Å; R61-Y93 VanDerWaalsContact CD-OH 3.24Å; R61-Y93 WeakPolarHBondContact CD-OH 3.49Å
62G93.4Very high89Confident0 Ų056.4 Ų56.40%026%0.255CS..Hα-helixtrans-56.6-43.3174.600000112.8A58 C59 R64 L65 F66A58-G62 PolarHBondContact O-N 3.46Å; C59-G62 WeakPolarHBondContact O-CA 3.44Å; C59-G62 PolarHBondContact O-N 3.47Å; C59-G62 VanDerWaalsContact O-N 3.09Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.89Å; G62-L65 PolarHBondContact O-N 3.34Å; G62-F66 PolarHBondContact O-N 3.42Å
63C92.8Very high89Confident0 Ų051.5 Ų51.50%024%0.243CC..Hα-helixtrans-57.3-44.7174.5-60.70000112.4C37 C59 Q60 R61C37-C63 VanDerWaalsContact C-SG 3.59Å; C37-C63 HydrophobicContact CB-CB 3.69Å; C37-C63 WeakPolarHBondContact CB-SG 3.27Å; C37-C63 WeakPolarHBondContact SG-CB 3.26Å; C37-C63 CovalentContact SG-SG 2.04Å; C37-C63 PolarHBondContact SG-SG 3.01Å; C59-C63 PolarHBondContact O-N 3.32Å; C59-C63 PolarHBondContact O-SG 3.49Å; Q60-C63 PolarHBondContact O-N 2.85Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 2.88Å
64R91.9Very high88.1Confident88 Ų8852 Ų5233%0.33225%0.25SS..Hα-helixtrans-70.6-38178.8-176.8176.3176.8156.12.2111.7D25 Q60 R61 G62 S67 I68D25-R64 IonicContact OD1-CZ 2.71Å; D25-R64 IonicContact OD1-NH1 3.95Å; D25-R64 PolarHBondContact OD1-NH1 3.33Å; D25-R64 IonicContact OD1-NH2 3.99Å; D25-R64 PolarHBondContact OD1-NH2 3.08Å; Q60-R64 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 2.94Å; R61-R64 VanDerWaalsContact O-N 3.15Å; G62-R64 VanDerWaalsContact C-N 3.34Å; G62-R64 PolarHBondContact O-N 2.89Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.35Å; R64-I68 HydrophobicContact CG-CD1 4.18Å; R64-I68 WeakPolarHBondContact O-CG1 3.13Å; R64-I68 PolarHBondContact O-N 3.43Å; R64-I68 VanDerWaalsContact O-N 3.16Å
65L92.1Very high87.2Confident38 Ų3848.6 Ų48.620%0.19924%0.237CC..Hα-helixtrans-62.2-44.5179.3-176.263000111.3R61 G62 S67 I68 C69 T88R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 PolarHBondContact O-N 3.15Å; G62-L65 PolarHBondContact O-N 3.34Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.88Å; L65-I68 WeakPolarHBondContact O-CA 3.3Å; L65-I68 WeakPolarHBondContact O-CB 3.38Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-C69 PolarHBondContact O-N 3.17Å; L65-C69 PolarHBondContact O-SG 2.93Å; L65-C69 VanDerWaalsContact O-SG 3.36Å; L65-T88 HydrophobicContact CD1-CG2 3.96Å; L65-T88 HydrophobicContact CD2-CG2 3.86Å; L65-T88 HydrophobicContact CG-CG2 4.44Å
66F92.2Very high86.4Confident0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-56.4-46.1176.4-176.8-83.4000111.9G62 I68 C69 Q70 T81 K82 C85 C106 Q109 L110 A113G62-F66 PolarHBondContact O-N 3.42Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.98Å; F66-C69 PolarHBondContact O-N 3.27Å; F66-Q70 WeakPolarHBondContact O-CB 3.43Å; F66-Q70 PolarHBondContact O-N 2.99Å; F66-T81 HydrophobicContact CD2-CG2 4.5Å; F66-T81 HydrophobicContact CE2-CG2 4.15Å; F66-T81 HydrophobicContact CZ-CG2 4.15Å; F66-K82 HydrophobicContact CE2-CB 4.06Å; F66-C85 VanDerWaalsContact CA-SG 3.56Å; F66-C85 HydrophobicContact CD2-CB 4.21Å; F66-C85 PolarHBondContact N-SG 3Å; F66-C85 VanDerWaalsContact N-SG 3.42Å; F66-C106 HydrophobicContact CD2-CB 4.45Å; F66-Q109 HydrophobicContact CB-CB 4Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.88Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.23Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; F66-L110 HydrophobicContact CE2-CD1 4Å; F66-L110 HydrophobicContact CZ-CB 4.49Å; F66-L110 HydrophobicContact CZ-CD1 3.77Å; F66-A113 HydrophobicContact CE1-CB 3.62Å; F66-A113 HydrophobicContact CZ-CB 4.28Å
67S89.4Confident86.3Confident2 Ų259.5 Ų59.51%0.01429%0.291CS..Hα-helixtrans-61-33.9176.1-78.80000113.2L31 R64 L65 F71L31-S67 WeakPolarHBondContact O-CB 3.48Å; L31-S67 PolarHBondContact O-OG 3.46Å; R64-S67 WeakPolarHBondContact O-CB 3.38Å; R64-S67 PolarHBondContact O-N 3.35Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.88Å; S67-F71 WeakPolarHBondContact O-CB 3.5Å; S67-F71 PolarHBondContact O-N 2.82Å; S67-F71 VanDerWaalsContact O-N 3.11Å
68I88.3Confident86.2Confident64 Ų6454.2 Ų54.233%0.32827%0.271SS..Hα-helixtrans-70.8-46.5175.7-64.6163.9000110.1L31 R64 L65 F66 Q70 F71 V72L31-I68 HydrophobicContact CD1-CD1 4.38Å; L31-I68 HydrophobicContact CD1-CG1 3.76Å; L31-I68 HydrophobicContact CD2-CB 4.37Å; L31-I68 HydrophobicContact CD2-CG1 3.73Å; L31-I68 HydrophobicContact CG-CG1 4.41Å; R64-I68 HydrophobicContact CG-CD1 4.18Å; R64-I68 WeakPolarHBondContact O-CG1 3.13Å; R64-I68 PolarHBondContact O-N 3.43Å; R64-I68 VanDerWaalsContact O-N 3.16Å; L65-I68 WeakPolarHBondContact O-CA 3.3Å; L65-I68 WeakPolarHBondContact O-CB 3.38Å; L65-I68 PolarHBondContact O-N 2.91Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.98Å; I68-Q70 VanDerWaalsContact C-N 3.26Å; I68-Q70 PolarHBondContact O-N 3.29Å; I68-F71 PolarHBondContact O-N 3.48Å; I68-F71 VanDerWaalsContact O-N 3.1Å; I68-V72 HydrophobicContact CG2-CG2 4.2Å; I68-V72 WeakPolarHBondContact O-CG2 3.08Å; I68-V72 PolarHBondContact O-N 2.9Å
69C89.6Confident86.1Confident16 Ų1659.4 Ų59.411%0.10830%0.298CS..Hα-helixtrans-58.2-40.5175.7-64.70000111L65 F66 F71 G73 T81L65-C69 PolarHBondContact O-N 3.17Å; L65-C69 PolarHBondContact O-SG 2.93Å; L65-C69 VanDerWaalsContact O-SG 3.36Å; F66-C69 PolarHBondContact O-N 3.27Å; C69-F71 VanDerWaalsContact C-N 3.32Å; C69-F71 PolarHBondContact O-N 3.41Å; C69-G73 WeakPolarHBondContact O-CA 3.06Å; C69-G73 PolarHBondContact O-N 3.42Å; C69-T81 HydrophobicContact CB-CG2 3.65Å
70Q87.1Confident86.1Confident50 Ų5063.8 Ų63.823%0.23432%0.319CS..Hα-helixtrans-65.3-35.7176.6-169.9-179.57.200112.4F66 I68 L78 T81F66-Q70 WeakPolarHBondContact O-CB 3.43Å; F66-Q70 PolarHBondContact O-N 2.99Å; I68-Q70 VanDerWaalsContact C-N 3.26Å; I68-Q70 PolarHBondContact O-N 3.29Å; Q70-L78 HydrophobicContact CG-CD2 4.26Å; Q70-T81 HydrophobicContact CB-CG2 3.86Å; Q70-T81 VanDerWaalsContact N-CG2 3.26Å
71F83.8Confident86Confident133 Ų13361.7 Ų61.758%0.58331%0.309SS*.Hα-helixtrans-77.2-36.3-179.4178.7-98.2000112.8V30 L31 S67 I68 C69V30-F71 HydrophobicContact CG1-CD2 4.06Å; V30-F71 HydrophobicContact CG1-CE2 3.6Å; V30-F71 HydrophobicContact CG1-CZ 3.97Å; L31-F71 HydrophobicContact CD2-CB 4.09Å; L31-F71 HydrophobicContact CD2-CG 4.4Å; S67-F71 WeakPolarHBondContact O-CB 3.5Å; S67-F71 PolarHBondContact O-N 2.82Å; S67-F71 VanDerWaalsContact O-N 3.11Å; I68-F71 PolarHBondContact O-N 3.48Å; I68-F71 VanDerWaalsContact O-N 3.1Å; C69-F71 VanDerWaalsContact C-N 3.32Å; C69-F71 PolarHBondContact O-N 3.41Å
72V85.3Confident86.1Confident109 Ų10958 Ų5866%0.66130%0.296SS*.Hα-helixtrans-84.2-34.1-178.91760000111.7I68 D74I68-V72 HydrophobicContact CG2-CG2 4.2Å; I68-V72 WeakPolarHBondContact O-CG2 3.08Å; I68-V72 PolarHBondContact O-N 2.9Å; V72-D74 PolarHBondContact O-N 2.97Å
73G76.1Confident86.1Confident21 Ų2162.6 Ų62.622%0.21632%0.324CS..  trans-69.8124.7177.300000110.9C69 S75C69-G73 WeakPolarHBondContact O-CA 3.06Å; C69-G73 PolarHBondContact O-N 3.42Å; G73-S75 PolarHBondContact O-N 3.43Å; G73-S75 VanDerWaalsContact O-N 3.11Å
74D64Low86.1Confident145 Ų14565.5 Ų65.578%0.77534%0.338SS*.  trans-70.17.6165.9-93-16.3000111.6V72 K278V72-D74 PolarHBondContact O-N 2.97Å; D74-K278 IonicContact OD1-NZ 3.56Å; D74-K278 IonicContact OD2-NZ 3.9Å; D74-K278 PolarHBondContact OD2-NZ 2.73Å
75S66.6Low86.2Confident25 Ų2561.3 Ų61.318%0.17532%0.322CS..  trans-83.8121-175.949.60000111.2G73 D77G73-S75 PolarHBondContact O-N 3.43Å; G73-S75 VanDerWaalsContact O-N 3.11Å; S75-D77 PolarHBondContact O-N 2.86Å
76E71.4Confident86.4Confident154 Ų15461.5 Ų61.572%0.7232%0.324SS*.SBendtrans-70.9-16.9170.9-149.8172.4-166.900111.4L78 Q117E76-L78 PolarHBondContact O-N 2.99Å; E76-Q117 PolarHBondContact O-NE2 2.93Å
77D87Confident86.5Confident110 Ų11064.8 Ų64.859%0.58835%0.346SS*.  trans-86.3100.9-177.4-70.3-36.3000112.6S75 N79 Q80 T81S75-D77 PolarHBondContact O-N 2.86Å; D77-N79 PolarHBondContact O-N 2.84Å; D77-N79 VanDerWaalsContact O-N 3.13Å; D77-Q80 HydrophobicContact CB-CB 4.15Å; D77-Q80 WeakPolarHBondContact O-CB 3.38Å; D77-Q80 PolarHBondContact O-N 3.07Å; D77-T81 PolarHBondContact O-N 3.16Å; D77-T81 PolarHBondContact O-OG1 3.16Å
78L89.1Confident86.7Confident13 Ų1367.2 Ų67.27%0.06836%0.361CS..Hα-helixtrans-60.3-26.3178.2-62.7175.1000114.2Q70 E76 Q80 T81 K82 L110 A113 E114Q70-L78 HydrophobicContact CG-CD2 4.26Å; E76-L78 PolarHBondContact O-N 2.99Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-T81 PolarHBondContact O-N 3.07Å; L78-K82 PolarHBondContact O-N 3.38Å; L78-L110 HydrophobicContact CB-CD1 3.67Å; L78-L110 WeakPolarHBondContact O-CD1 3.07Å; L78-A113 HydrophobicContact CD1-CB 4.25Å; L78-A113 HydrophobicContact CD2-CB 4.1Å; L78-E114 HydrophobicContact CD1-CB 4.05Å; L78-E114 HydrophobicContact CD1-CG 3.32Å
79N91.7Very high87.1Confident109 Ų10964.1 Ų64.158%0.58335%0.345SS*.Hα-helixtrans-66.4-34.9174.1-74.9-45.5000112D77 K82 V83D77-N79 PolarHBondContact O-N 2.84Å; D77-N79 VanDerWaalsContact O-N 3.13Å; N79-K82 PolarHBondContact O-N 3.36Å; N79-V83 WeakPolarHBondContact O-CG2 3.13Å; N79-V83 PolarHBondContact O-N 3.45Å
80Q91.7Very high87.3Confident93 Ų9369.3 Ų69.344%0.43537%0.368SS..Hα-helixtrans-69.3-47174.9-177.2-177.7-21.700110D77 L78 K82 V83 E84D77-Q80 HydrophobicContact CB-CB 4.15Å; D77-Q80 WeakPolarHBondContact O-CB 3.38Å; D77-Q80 PolarHBondContact O-N 3.07Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; Q80-K82 PolarHBondContact O-N 2.04Å; Q80-V83 PolarHBondContact O-N 3.32Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.06Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 PolarHBondContact O-N 3.13Å
81T91.5Very high87.6Confident0 Ų075.1 Ų75.10%040%0.395CS..Hα-helixtrans-54.7-37.7175.2-45.20000112.2F66 C69 Q70 D77 L78 E84 C85F66-T81 HydrophobicContact CD2-CG2 4.5Å; F66-T81 HydrophobicContact CE2-CG2 4.15Å; F66-T81 HydrophobicContact CZ-CG2 4.15Å; C69-T81 HydrophobicContact CB-CG2 3.65Å; Q70-T81 HydrophobicContact CB-CG2 3.86Å; Q70-T81 VanDerWaalsContact N-CG2 3.26Å; D77-T81 PolarHBondContact O-N 3.16Å; D77-T81 PolarHBondContact O-OG1 3.16Å; L78-T81 PolarHBondContact O-N 3.07Å; T81-E84 PolarHBondContact O-N 3.34Å; T81-C85 WeakPolarHBondContact O-CB 3.32Å; T81-C85 PolarHBondContact O-N 3.42Å
82K93.4Very high88Confident47 Ų4772.1 Ų72.120%0.20439%0.394CS..Hα-helixtrans-62-47.6174.5-173.8-163.7169.2-171.40111.9F66 L78 N79 Q80 E84 C85 D86 L110F66-K82 HydrophobicContact CE2-CB 4.06Å; L78-K82 PolarHBondContact O-N 3.38Å; N79-K82 PolarHBondContact O-N 3.36Å; Q80-K82 PolarHBondContact O-N 2.04Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 3.5Å; K82-C85 WeakPolarHBondContact O-CB 3.42Å; K82-C85 PolarHBondContact O-N 2.05Å; K82-C85 VanDerWaalsContact O-N 3.15Å; K82-D86 PolarHBondContact O-N 2.93Å; K82-L110 HydrophobicContact CB-CD1 4.45Å; K82-L110 HydrophobicContact CD-CD2 4.44Å
83V93.3Very high88.3Confident97 Ų9768.2 Ų68.259%0.58837%0.368SS*.Hα-helixtrans-63.4-37.6-179.9174.10000110.9N79 Q80 D86 S87N79-V83 WeakPolarHBondContact O-CG2 3.13Å; N79-V83 PolarHBondContact O-N 3.45Å; Q80-V83 PolarHBondContact O-N 3.32Å; V83-D86 PolarHBondContact O-N 2.99Å; V83-S87 WeakPolarHBondContact O-CB 3.37Å; V83-S87 PolarHBondContact O-N 3.44Å; V83-S87 PolarHBondContact O-OG 2.85Å
84E93.4Very high89Confident62 Ų6273.2 Ų73.229%0.2940%0.399SS..Hα-helixtrans-66.1-36.6174.1-68.5171.9-17000112.3Q80 T81 K82 S87 T88Q80-E84 WeakPolarHBondContact CG-OE1 3.06Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 PolarHBondContact O-N 3.13Å; T81-E84 PolarHBondContact O-N 3.34Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 3.5Å; E84-S87 PolarHBondContact O-OG 3.08Å; E84-T88 WeakPolarHBondContact O-CB 3.41Å; E84-T88 PolarHBondContact O-N 2.91Å; E84-T88 VanDerWaalsContact O-N 3.14Å; E84-T88 PolarHBondContact O-OG1 2.88Å
85C94.4Very high90.3Very high0 Ų070.1 Ų70.10%038%0.381CS..Hα-helixtrans-66.1-47.3172.6-167.20000111.3F66 T81 K82 S87 T88 C89 C106F66-C85 VanDerWaalsContact CA-SG 3.56Å; F66-C85 HydrophobicContact CD2-CB 4.21Å; F66-C85 PolarHBondContact N-SG 3Å; F66-C85 VanDerWaalsContact N-SG 3.42Å; T81-C85 WeakPolarHBondContact O-CB 3.32Å; T81-C85 PolarHBondContact O-N 3.42Å; K82-C85 WeakPolarHBondContact O-CB 3.42Å; K82-C85 PolarHBondContact O-N 2.05Å; K82-C85 VanDerWaalsContact O-N 3.15Å; C85-S87 VanDerWaalsContact C-N 3.33Å; C85-S87 PolarHBondContact O-N 3.43Å; C85-T88 PolarHBondContact O-N 3.45Å; C85-C89 PolarHBondContact O-N 3.3Å; C85-C89 PolarHBondContact O-SG 2.85Å; C85-C106 HydrophobicContact CB-CB 3.75Å; C85-C106 WeakPolarHBondContact CB-SG 3.49Å; C85-C106 WeakPolarHBondContact SG-CB 3.48Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 2.88Å
86D94.8Very high91.3Very high42 Ų4273.3 Ų73.323%0.22540%0.403CS..Hα-helixtrans-62.7-38.5179.8-72.7-16000111.5K82 V83 C89 H90K82-D86 PolarHBondContact O-N 2.93Å; V83-D86 PolarHBondContact O-N 2.99Å; D86-C89 PolarHBondContact O-N 3.25Å; D86-H90 PolarHBondContact O-N 2.89Å
87S94.2Very high92.1Very high68 Ų6870.3 Ų70.348%0.47639%0.389SS..Hα-helixtrans-67.9-39.3175.966.40000112V83 E84 C85 H90 E91V83-S87 WeakPolarHBondContact O-CB 3.37Å; V83-S87 PolarHBondContact O-N 3.44Å; V83-S87 PolarHBondContact O-OG 2.85Å; E84-S87 PolarHBondContact O-OG 3.08Å; C85-S87 VanDerWaalsContact C-N 3.33Å; C85-S87 PolarHBondContact O-N 3.43Å; S87-H90 WeakPolarHBondContact O-CB 3.48Å; S87-H90 PolarHBondContact O-N 3.45Å; S87-E91 PolarHBondContact O-N 2.84Å
88T94.8Very high92.3Very high53 Ų5366.6 Ų66.633%0.32537%0.368SS..Hα-helixtrans-68.5-37.4176.6-52.90000111.4L65 E84 C85 H90 E91 A92L65-T88 HydrophobicContact CD1-CG2 3.96Å; L65-T88 HydrophobicContact CD2-CG2 3.86Å; L65-T88 HydrophobicContact CG-CG2 4.44Å; E84-T88 WeakPolarHBondContact O-CB 3.41Å; E84-T88 PolarHBondContact O-N 2.91Å; E84-T88 VanDerWaalsContact O-N 3.14Å; E84-T88 PolarHBondContact O-OG1 2.88Å; C85-T88 PolarHBondContact O-N 3.45Å; T88-H90 VanDerWaalsContact C-N 3.31Å; T88-H90 PolarHBondContact O-N 3.1Å; T88-E91 PolarHBondContact O-N 3.11Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.23Å; T88-A92 PolarHBondContact O-N 3.36Å
89C95.2Very high92.5Very high0 Ų067.8 Ų67.80%037%0.373CS..Hα-helixtrans-61.7-39170.6-75.20000111.8C85 D86 E91 A92 Y93 C102 N103C85-C89 PolarHBondContact O-N 3.3Å; C85-C89 PolarHBondContact O-SG 2.85Å; D86-C89 PolarHBondContact O-N 3.25Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.02Å; C89-A92 PolarHBondContact O-N 3.36Å; C89-Y93 PolarHBondContact O-N 3.42Å; C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.36Å; C89-C102 WeakPolarHBondContact SG-CB 3.36Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 3.4Å; C89-N103 WeakPolarHBondContact CB-OD1 3.35Å
90H94.5Very high92.5Very high125 Ų12569.7 Ų69.758%0.57937%0.373SS*.Hα-helixtrans-65.1-33.1175.3-171.2-53.6000112.7D86 S87 T88 Q99D86-H90 PolarHBondContact O-N 2.89Å; S87-H90 WeakPolarHBondContact O-CB 3.48Å; S87-H90 PolarHBondContact O-N 3.45Å; T88-H90 VanDerWaalsContact C-N 3.31Å; T88-H90 PolarHBondContact O-N 3.1Å; H90-Q99 VanDerWaalsContact CA-NE2 3.33Å; H90-Q99 VanDerWaalsContact CB-NE2 3.3Å; H90-Q99 PolarHBondContact CD2-NE2 3.34Å
91E93.8Very high92.6Very high172 Ų17265.3 Ų65.380%0.80435%0.352SS*.Hα-helixtrans-78-37.4176.5-171.5177172.300112.2S87 T88 C89S87-E91 PolarHBondContact O-N 2.84Å; T88-E91 PolarHBondContact O-N 3.11Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.02Å
92A92.8Very high92.8Very high69 Ų6965.4 Ų65.457%0.5735%0.353SS*.Hα-helixtrans-75.5-31.7-173.500000114.2T88 C89T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.23Å; T88-A92 PolarHBondContact O-N 3.36Å; C89-A92 PolarHBondContact O-N 3.36Å
93Y91.8Very high92.9Very high28 Ų2865 Ų6511%0.1135%0.354CS..  trans-118.4124.3-174.8-64.1-79.1000111.5A58 R61 C89 E98 C102A58-Y93 HydrophobicContact CB-CE1 4.15Å; A58-Y93 HydrophobicContact CB-CE2 4.43Å; R61-Y93 VanDerWaalsContact CD-OH 3.24Å; R61-Y93 WeakPolarHBondContact CD-OH 3.49Å; C89-Y93 PolarHBondContact O-N 3.42Å; Y93-E98 HydrophobicContact CD1-CB 3.66Å; Y93-E98 HydrophobicContact CD1-CG 4.45Å; Y93-E98 WeakPolarHBondContact CD1-OE2 2.97Å; Y93-E98 HydrophobicContact CE1-CB 4.24Å; Y93-E98 HydrophobicContact CG-CB 4.04Å; Y93-C102 HydrophobicContact CD2-CB 3.98Å; Y93-C102 HydrophobicContact CE2-CB 3.84Å
94S89.4Confident92.9Very high125 Ų12561.6 Ų61.687%0.87433%0.332SS*.  trans-84.7-1917460.40000113.3
95Q90.9Very high92.9Very high81 Ų8158.7 Ų58.738%0.37932%0.318SS..SBendtrans-90135.1178.9-61.6-169.524.800111E97 E98 Q99Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.01Å; Q95-E98 HydrophobicContact CB-CB 4.42Å; Q95-E98 HydrophobicContact CB-CG 4.24Å; Q95-Q99 VanDerWaalsContact O-CB 3.23Å; Q95-Q99 WeakPolarHBondContact O-CB 3.45Å; Q95-Q99 PolarHBondContact O-N 3.02Å
96S88.1Confident92.9Very high92 Ų9258.7 Ų58.764%0.64332%0.318SS*.Hα-helixtrans-66.3-31.8-176.8560000114Y100S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 3.36Å
97E88.7Confident92.8Very high91 Ų9161.5 Ų61.543%0.42533%0.33SS..Hα-helixtrans-72-47.8-179.1-65.1-178.8166.900111.3R52 E55 Q95 Q99 Y100 A101R52-E97 IonicContact NH1-OE2 2.91Å; E55-E97 HydrophobicContact CG-CB 4.42Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.01Å; E97-Q99 PolarHBondContact O-N 3.27Å; E97-Y100 PolarHBondContact O-N 3.11Å; E97-A101 PolarHBondContact O-N 3.31Å
98E90.2Very high92.8Very high31 Ų3159.1 Ų59.115%0.14531%0.313CS..Hα-helixtrans-64.4-40.1175.2-60.9-179.7145.500112A58 Y93 Q95 A101 C102A58-E98 HydrophobicContact CB-CB 4.21Å; Y93-E98 HydrophobicContact CD1-CB 3.66Å; Y93-E98 HydrophobicContact CD1-CG 4.45Å; Y93-E98 WeakPolarHBondContact CD1-OE2 2.97Å; Y93-E98 HydrophobicContact CE1-CB 4.24Å; Y93-E98 HydrophobicContact CG-CB 4.04Å; Q95-E98 HydrophobicContact CB-CB 4.42Å; Q95-E98 HydrophobicContact CB-CG 4.24Å; E98-A101 PolarHBondContact O-N 3.25Å; E98-C102 WeakPolarHBondContact O-CB 3.47Å; E98-C102 PolarHBondContact O-N 2.99Å
99Q93.3Very high92.6Very high38 Ų3856.7 Ų56.718%0.17830%0.298CS..Hα-helixtrans-62-45.1176.7-174-174.75.500111.2H90 Q95 E97 A101 C102 N103H90-Q99 VanDerWaalsContact CA-NE2 3.33Å; H90-Q99 VanDerWaalsContact CB-NE2 3.3Å; H90-Q99 PolarHBondContact CD2-NE2 3.34Å; Q95-Q99 VanDerWaalsContact O-CB 3.23Å; Q95-Q99 WeakPolarHBondContact O-CB 3.45Å; Q95-Q99 PolarHBondContact O-N 3.02Å; E97-Q99 PolarHBondContact O-N 3.27Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 3.46Å; Q99-C102 PolarHBondContact O-N 3.03Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 2.71Å; Q99-N103 PolarHBondContact O-OD1 3.45Å
100Y93Very high92.3Very high150 Ų15057.7 Ų57.759%0.58830%0.304SS*.Hα-helixtrans-62.4-42.3175.5-179.8-100.2000111.6S96 E97 C102 N103 L104S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 3.36Å; E97-Y100 PolarHBondContact O-N 3.11Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 3.07Å; Y100-N103 PolarHBondContact O-N 3.11Å; Y100-L104 WeakPolarHBondContact O-CB 3.09Å; Y100-L104 PolarHBondContact O-N 3.41Å
101A93.6Very high92.1Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-61.7-41.2176.600000112.3Y45 E55 A58 C59 E97 E98 Q99 L104 G105Y45-A101 HydrophobicContact CE1-CB 4.34Å; Y45-A101 HydrophobicContact CE2-CB 3.73Å; Y45-A101 VanDerWaalsContact OH-CA 3.27Å; Y45-A101 WeakPolarHBondContact OH-CA 3.44Å; Y45-A101 WeakPolarHBondContact OH-CB 3.38Å; E55-A101 HydrophobicContact CB-CB 4.09Å; E55-A101 VanDerWaalsContact O-CB 3.28Å; E55-A101 WeakPolarHBondContact O-CB 3.12Å; A58-A101 HydrophobicContact CB-CB 4.14Å; C59-A101 VanDerWaalsContact CA-O 3.23Å; C59-A101 WeakPolarHBondContact CA-O 3.47Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.47Å; E97-A101 PolarHBondContact O-N 3.31Å; E98-A101 PolarHBondContact O-N 3.25Å; Q99-A101 VanDerWaalsContact C-N 3.33Å; Q99-A101 PolarHBondContact O-N 3.46Å; A101-L104 WeakPolarHBondContact O-CB 3.46Å; A101-L104 PolarHBondContact O-N 3.36Å; A101-G105 PolarHBondContact O-N 2.04Å
102C95.1Very high91.7Very high2 Ų249.8 Ų49.81%0.01427%0.271CS..Hα-helixtrans-61.2-48.8174.8-170.60000111.8C89 Y93 E98 Q99 Y100 L104 G105 C106C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.36Å; C89-C102 WeakPolarHBondContact SG-CB 3.36Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 3.4Å; Y93-C102 HydrophobicContact CD2-CB 3.98Å; Y93-C102 HydrophobicContact CE2-CB 3.84Å; E98-C102 WeakPolarHBondContact O-CB 3.47Å; E98-C102 PolarHBondContact O-N 2.99Å; Q99-C102 PolarHBondContact O-N 3.03Å; Y100-C102 VanDerWaalsContact C-N 3.34Å; Y100-C102 PolarHBondContact O-N 3.07Å; C102-L104 VanDerWaalsContact C-N 3.28Å; C102-L104 PolarHBondContact O-N 3.45Å; C102-G105 WeakPolarHBondContact O-CA 3.3Å; C102-G105 PolarHBondContact O-N 3.35Å; C102-C106 PolarHBondContact O-N 3.39Å
103N95Very high91.4Very high40 Ų4046.5 Ų46.521%0.21424%0.244CC..Hα-helixtrans-61.4-37.1177.4-66.7-9.9000111.8C89 Q99 Y100 G105 C106 Q107C89-N103 WeakPolarHBondContact CB-OD1 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 2.71Å; Q99-N103 PolarHBondContact O-OD1 3.45Å; Y100-N103 PolarHBondContact O-N 3.11Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.97Å; N103-C106 WeakPolarHBondContact O-CB 3.22Å; N103-C106 PolarHBondContact O-N 2.84Å; N103-Q107 WeakPolarHBondContact O-CB 3.47Å; N103-Q107 PolarHBondContact O-N 2.87Å
104L93.8Very high91.3Very high25 Ų2549.2 Ų49.213%0.13126%0.258CS..Hα-helixtrans-61.8-39.8173.3-17477.3000111.3T44 Y45 Y100 A101 C102 Q107 S108T44-L104 HydrophobicContact CG2-CD2 3.67Å; Y45-L104 HydrophobicContact CD2-CD2 4.48Å; Y45-L104 HydrophobicContact CE2-CD2 3.67Å; Y100-L104 WeakPolarHBondContact O-CB 3.09Å; Y100-L104 PolarHBondContact O-N 3.41Å; A101-L104 WeakPolarHBondContact O-CB 3.46Å; A101-L104 PolarHBondContact O-N 3.36Å; C102-L104 VanDerWaalsContact C-N 3.28Å; C102-L104 PolarHBondContact O-N 3.45Å; L104-Q107 PolarHBondContact O-N 2.89Å; L104-S108 VanDerWaalsContact O-CB 3.24Å; L104-S108 WeakPolarHBondContact O-CB 3.24Å; L104-S108 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-OG 3.43Å
105G93.8Very high91.1Very high0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-59.2-48.2172.600000112.1C37 A101 C102 N103 Q107 S108 Q109C37-G105 PolarHBondContact SG-O 3.49Å; C37-G105 VanDerWaalsContact SG-O 3.41Å; A101-G105 PolarHBondContact O-N 2.04Å; C102-G105 WeakPolarHBondContact O-CA 3.3Å; C102-G105 PolarHBondContact O-N 3.35Å; N103-G105 VanDerWaalsContact C-N 3.29Å; N103-G105 PolarHBondContact O-N 2.97Å; G105-Q107 PolarHBondContact O-N 3.21Å; G105-S108 PolarHBondContact O-N 3.43Å; G105-Q109 PolarHBondContact O-N 2.9Å; G105-Q109 VanDerWaalsContact O-N 3.11Å
106C94.2Very high90.7Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-57.5-47.7174.9-61.40000111.6F66 C85 C102 N103 S108 Q109 L110F66-C106 HydrophobicContact CD2-CB 4.45Å; C85-C106 HydrophobicContact CB-CB 3.75Å; C85-C106 WeakPolarHBondContact CB-SG 3.49Å; C85-C106 WeakPolarHBondContact SG-CB 3.48Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 2.88Å; C102-C106 PolarHBondContact O-N 3.39Å; N103-C106 WeakPolarHBondContact O-CB 3.22Å; N103-C106 PolarHBondContact O-N 2.84Å; C106-S108 PolarHBondContact O-N 3.28Å; C106-Q109 PolarHBondContact O-N 3Å; C106-L110 PolarHBondContact O-N 2.96Å
107Q93.8Very high90.5Very high102 Ų10245.2 Ų45.248%0.47721%0.213SC..Hα-helixtrans-65.8-37.7179.7-175.4174.230.900112.8N103 L104 G105 Q109 L110 P111N103-Q107 WeakPolarHBondContact O-CB 3.47Å; N103-Q107 PolarHBondContact O-N 2.87Å; L104-Q107 PolarHBondContact O-N 2.89Å; G105-Q107 PolarHBondContact O-N 3.21Å; Q107-Q109 VanDerWaalsContact C-N 3.3Å; Q107-Q109 PolarHBondContact O-N 3.28Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 3.49Å; Q107-P111 WeakPolarHBondContact O-CD 3.1Å
108S92.4Very high90.3Very high18 Ų1847.4 Ų47.413%0.12622%0.223CC..Hα-helixtrans-71.1-27.1-179-61.80000112.3L104 G105 C106 F112L104-S108 VanDerWaalsContact O-CB 3.24Å; L104-S108 WeakPolarHBondContact O-CB 3.24Å; L104-S108 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-OG 3.43Å; G105-S108 PolarHBondContact O-N 3.43Å; C106-S108 PolarHBondContact O-N 3.28Å; S108-F112 WeakPolarHBondContact O-CD2 3.45Å; S108-F112 WeakPolarHBondContact O-CE2 3.45Å
109Q90.4Very high90Very high1 Ų151.4 Ų51.41%0.00524%0.242CC..Hα-helixtrans-78.4-26.9178.5-170.361.645.600112.8F66 G105 C106 Q107 F112 A113F66-Q109 HydrophobicContact CB-CB 4Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.88Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.23Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; G105-Q109 PolarHBondContact O-N 2.9Å; G105-Q109 VanDerWaalsContact O-N 3.11Å; C106-Q109 PolarHBondContact O-N 3Å; Q107-Q109 VanDerWaalsContact C-N 3.3Å; Q107-Q109 PolarHBondContact O-N 3.28Å; Q109-F112 PolarHBondContact O-N 3.4Å; Q109-A113 PolarHBondContact O-N 3.23Å
110L90.3Very high89.4Confident22 Ų2254.8 Ų54.812%0.11526%0.26CS..Hα-helixtrans-50.2-56.1-178.5-173.574.7000114.6F66 L78 K82 C106 Q107 F112 A113 E114F66-L110 HydrophobicContact CE2-CD1 4Å; F66-L110 HydrophobicContact CZ-CB 4.49Å; F66-L110 HydrophobicContact CZ-CD1 3.77Å; L78-L110 HydrophobicContact CB-CD1 3.67Å; L78-L110 WeakPolarHBondContact O-CD1 3.07Å; K82-L110 HydrophobicContact CB-CD1 4.45Å; K82-L110 HydrophobicContact CD-CD2 4.44Å; C106-L110 PolarHBondContact O-N 2.96Å; Q107-L110 WeakPolarHBondContact O-CB 3.43Å; Q107-L110 PolarHBondContact O-N 3.49Å; L110-F112 PolarHBondContact O-N 3.17Å; L110-A113 WeakPolarHBondContact O-CB 3.5Å; L110-A113 PolarHBondContact O-N 3.03Å; L110-E114 PolarHBondContact O-N 2.87Å
111P89.3Confident88.8Confident65 Ų6552.1 Ų52.142%0.42226%0.256SS..Hα-helixtrans-64.6-27.8-177.826-36.4000113.1Q107 Q115Q107-P111 WeakPolarHBondContact O-CD 3.1Å; P111-Q115 PolarHBondContact O-N 2.86Å; P111-Q115 VanDerWaalsContact O-N 3.14Å
112F86.8Confident88.1Confident65 Ų6556.2 Ų56.229%0.28529%0.29SS..Hα-helixtrans-74.8-31.4175.2-59.9-65.9000112S108 Q109 L110 R116S108-F112 WeakPolarHBondContact O-CD2 3.45Å; S108-F112 WeakPolarHBondContact O-CE2 3.45Å; Q109-F112 PolarHBondContact O-N 3.4Å; L110-F112 PolarHBondContact O-N 3.17Å; F112-R116 WeakPolarHBondContact O-CB 3.42Å; F112-R116 PolarHBondContact O-N 2.91Å; F112-R116 VanDerWaalsContact O-N 3.16Å
113A86.4Confident87.1Confident0 Ų063.8 Ų63.80%033%0.327CS..Hα-helixtrans-70.6-42.1173.900000111.4F66 L78 Q109 L110 R116 Q117F66-A113 HydrophobicContact CE1-CB 3.62Å; F66-A113 HydrophobicContact CZ-CB 4.28Å; L78-A113 HydrophobicContact CD1-CB 4.25Å; L78-A113 HydrophobicContact CD2-CB 4.1Å; Q109-A113 PolarHBondContact O-N 3.23Å; L110-A113 WeakPolarHBondContact O-CB 3.5Å; L110-A113 PolarHBondContact O-N 3.03Å; A113-R116 PolarHBondContact O-N 3.19Å; A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 3.3Å
114E88.3Confident85.7Confident85 Ų8566.5 Ų66.540%0.39734%0.339SS..Hα-helixtrans-56.2-53.1173.1-76.1176.9165.900111.1L78 L110 R116 Q117 E118L78-E114 HydrophobicContact CD1-CB 4.05Å; L78-E114 HydrophobicContact CD1-CG 3.32Å; L110-E114 PolarHBondContact O-N 2.87Å; E114-R116 VanDerWaalsContact C-N 3.27Å; E114-R116 PolarHBondContact O-N 3.06Å; E114-Q117 WeakPolarHBondContact O-CB 3.49Å; E114-Q117 PolarHBondContact O-N 3.34Å; E114-Q117 VanDerWaalsContact O-N 3.08Å; E114-E118 WeakPolarHBondContact O-CG 3.26Å; E114-E118 PolarHBondContact O-N 3.19Å
115Q86.9Confident84Confident103 Ų10370.2 Ų70.248%0.48137%0.365SS..Hα-helixtrans-59.6-37.7179.8-173.2178.6700112.4P111 Q119P111-Q115 PolarHBondContact O-N 2.86Å; P111-Q115 VanDerWaalsContact O-N 3.14Å; Q115-Q119 WeakPolarHBondContact O-CB 3.4Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.5Å; Q115-Q119 PolarHBondContact O-N 3.07Å
116R81.9Confident82.2Confident63 Ų6379.8 Ų79.824%0.23840%0.401CS..Hα-helixtrans-67.2-41.3176.5-175.2-172.8-66.8150.7-0.2111.3N33 F112 A113 E114 Q119 L120N33-R116 PolarHBondContact O-NH2 3.22Å; F112-R116 WeakPolarHBondContact O-CB 3.42Å; F112-R116 PolarHBondContact O-N 2.91Å; F112-R116 VanDerWaalsContact O-N 3.16Å; A113-R116 PolarHBondContact O-N 3.19Å; E114-R116 VanDerWaalsContact C-N 3.27Å; E114-R116 PolarHBondContact O-N 3.06Å; R116-Q119 PolarHBondContact O-N 3.4Å; R116-L120 HydrophobicContact CG-CD1 4.15Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.26Å; R116-L120 PolarHBondContact O-N 3.35Å
117Q82.4Confident80.5Confident49 Ų4986 Ų8623%0.22943%0.433CS..Hα-helixtrans-64.5-43.1177.5-171.2169.5-4.800110.7E76 A113 E114 Q119 L120 L121E76-Q117 PolarHBondContact O-NE2 2.93Å; A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 3.3Å; E114-Q117 WeakPolarHBondContact O-CB 3.49Å; E114-Q117 PolarHBondContact O-N 3.34Å; E114-Q117 VanDerWaalsContact O-N 3.08Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.45Å; Q117-L120 PolarHBondContact O-N 3Å; Q117-L121 HydrophobicContact CG-CD1 4.29Å; Q117-L121 WeakPolarHBondContact O-CB 3.45Å; Q117-L121 VanDerWaalsContact O-CG 3.26Å; Q117-L121 WeakPolarHBondContact O-CG 3.48Å; Q117-L121 PolarHBondContact O-N 3.18Å
118E85.5Confident78.6Confident136 Ų13687.9 Ų87.964%0.63644%0.441SS*.Hα-helixtrans-60.4-42.2172.8-69.8-176.115200112.4E114 L121 A122E114-E118 WeakPolarHBondContact O-CG 3.26Å; E114-E118 PolarHBondContact O-N 3.19Å; E118-L121 CarbonylContact O-C 3.58Å; E118-L121 PolarHBondContact O-N 3.48Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.38Å
119Q84.6Confident77Confident115 Ų11594 Ų9454%0.53747%0.472SS..Hα-helixtrans-63.9-41.3175.8-76.2174.5-4.300112.3Q115 R116 Q117 A122 M123Q115-Q119 WeakPolarHBondContact O-CB 3.4Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.5Å; Q115-Q119 PolarHBondContact O-N 3.07Å; R116-Q119 PolarHBondContact O-N 3.4Å; Q117-Q119 VanDerWaalsContact C-N 3.35Å; Q117-Q119 PolarHBondContact O-N 3.45Å; Q119-A122 PolarHBondContact O-N 2.73Å; Q119-M123 WeakPolarHBondContact O-CB 3.12Å; Q119-M123 PolarHBondContact O-N 3.13Å
120L80.3Confident75.5Confident109 Ų10999.4 Ų99.457%0.57150%0.5SS*.Hα-helixtrans-64.1-43174.2-79.6162.4000111.3R116 Q117 A122 M123 M124R116-L120 HydrophobicContact CG-CD1 4.15Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.26Å; R116-L120 PolarHBondContact O-N 3.35Å; Q117-L120 PolarHBondContact O-N 3Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.97Å; L120-M123 CarbonylContact O-C 3.6Å; L120-M123 PolarHBondContact O-N 3.18Å; L120-M124 PolarHBondContact O-N 3.05Å
121L79.1Confident74.2Confident94 Ų94104.8 Ų104.849%0.49252%0.52SS..Hα-helixtrans-67.2-24.6174.6-70.2174000113Q117 E118 M124Q117-L121 HydrophobicContact CG-CD1 4.29Å; Q117-L121 WeakPolarHBondContact O-CB 3.45Å; Q117-L121 VanDerWaalsContact O-CG 3.26Å; Q117-L121 WeakPolarHBondContact O-CG 3.48Å; Q117-L121 PolarHBondContact O-N 3.18Å; E118-L121 CarbonylContact O-C 3.58Å; E118-L121 PolarHBondContact O-N 3.48Å; L121-M124 HydrophobicContact CD2-SD 3.69Å; L121-M124 WeakPolarHBondContact O-CG 3.45Å
122A80.8Confident73.1Confident86 Ų86105.2 Ų105.271%0.71152%0.523SS*.Hα-helixtrans-82-31.3172.400000112.5E118 Q119 L120E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.38Å; Q119-A122 PolarHBondContact O-N 2.73Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.97Å
123M72.3Confident72.1Confident162 Ų162107.1 Ų107.180%0.79854%0.535SS*.Hα-helixtrans-86-21179.2-171.4171.4-177.400112.9Q119 L120 P125Q119-M123 WeakPolarHBondContact O-CB 3.12Å; Q119-M123 PolarHBondContact O-N 3.13Å; L120-M123 CarbonylContact O-C 3.6Å; L120-M123 PolarHBondContact O-N 3.18Å; M123-P125 WeakPolarHBondContact O-CD 3.34Å; M123-P125 VanDerWaalsContact O-N 3.13Å
124M66.4Low71.2Confident96 Ų96111.2 Ų111.247%0.47356%0.561SS.*SBendtrans-58.1121.717457.7174.8-89.200108.6L120 L121 R126L120-M124 PolarHBondContact O-N 3.05Å; L121-M124 HydrophobicContact CD2-SD 3.69Å; L121-M124 WeakPolarHBondContact O-CG 3.45Å; M124-R126 PolarHBondContact O-N 2.81Å
125P59Low70.3Confident104 Ų104111.5 Ų111.568%0.67557%0.565SS**  trans-62.6111.317225.9-30.9000105.9M123 I127M123-P125 WeakPolarHBondContact O-CD 3.34Å; M123-P125 VanDerWaalsContact O-N 3.13Å; P125-I127 PolarHBondContact O-N 3.39Å
126R56.1Low69.7Low200 Ų200110.5 Ų110.576%0.75557%0.565SS**  trans-58.498.4161.2-71.7-175.6178.7155.71.1105.1M124 H128M124-R126 PolarHBondContact O-N 2.81Å; R126-H128 PolarHBondContact O-N 3.4Å
127I58Low69.3Low130 Ų130115.5 Ų115.567%0.66758%0.584SS**  trans-6476.6172.334.6163.1000107.8P125 L129 Y131P125-I127 PolarHBondContact O-N 3.39Å; I127-L129 PolarHBondContact O-N 3.47Å; I127-Y131 HydrophobicContact CG2-CD2 4.37Å
128H54.3Low68.9Low142 Ų142114.9 Ų114.966%0.65759%0.591SS**  trans-85.8109.4-179.4-132.8-70.5000106.9R126 L130R126-H128 PolarHBondContact O-N 3.4Å; H128-L130 WeakPolarHBondContact O-CG 3.34Å; H128-L130 PolarHBondContact O-N 3.44Å
129L58.1Low68.5Low148 Ų148115.6 Ų115.678%0.77559%0.592SS**SBendtrans55.1-13.4161.7-127.381.9000119.4I127 P132I127-L129 PolarHBondContact O-N 3.47Å; L129-P132 WeakPolarHBondContact O-CG 3.41Å
130L58.2Low68Low113 Ų113118.1 Ų118.159%0.59260%0.597SS**  trans-103.4-10.9-170.4-60.9173.1000112.5H128 L133 T134H128-L130 WeakPolarHBondContact O-CG 3.34Å; H128-L130 PolarHBondContact O-N 3.44Å; L130-L133 HydrophobicContact CD2-CD1 3.54Å; L130-L133 CarbonylContact O-C 3.55Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-T134 PolarHBondContact O-N 2.94Å
131Y63.1Low67.7Low135 Ų135116.8 Ų116.853%0.52959%0.59SS.*Hα-helixtrans-54.3-43.3171.1-171.1-102.9000113.3I127 L133 T134 L135I127-Y131 HydrophobicContact CG2-CD2 4.37Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.47Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.13Å; Y131-T134 PolarHBondContact O-OG1 3.46Å; Y131-L135 HydrophobicContact CD1-CD1 4.23Å; Y131-L135 HydrophobicContact CE1-CD1 3.88Å; Y131-L135 PolarHBondContact O-N 3.48Å
132P66.2Low67.4Low74 Ų74117.4 Ų117.448%0.48159%0.594SS.*Hα-helixtrans-63.6-32.2171.222-32.3000112.7L129 L135 V136L129-P132 WeakPolarHBondContact O-CG 3.41Å; P132-L135 PolarHBondContact O-N 3Å; P132-V136 VanDerWaalsContact O-CG2 3.29Å; P132-V136 WeakPolarHBondContact O-CG2 3.08Å; P132-V136 PolarHBondContact O-N 3.29Å
133L65.4Low67.2Low105 Ų105117.8 Ų117.855%0.5559%0.587SS.*Hα-helixtrans-72.6-30.2177.4-65.8173.4000112.6L130 Y131 R137L130-L133 HydrophobicContact CD2-CD1 3.54Å; L130-L133 CarbonylContact O-C 3.55Å; L130-L133 WeakPolarHBondContact O-CA 3.37Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.86Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.47Å; L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.33Å; L133-R137 PolarHBondContact O-N 3.2Å
134T67.9Low67.4Low87 Ų87114.2 Ų114.253%0.53457%0.57SS.*Hα-helixtrans-70.1-34.2172.750.20000112.4L130 Y131 G138L130-T134 PolarHBondContact O-N 2.94Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.33Å; Y131-T134 PolarHBondContact O-N 3.13Å; Y131-T134 PolarHBondContact O-OG1 3.46Å; T134-G138 PolarHBondContact O-N 3.26Å
135L68.9Low67.5Low91 Ų91112.9 Ų112.948%0.47657%0.57SS.*Hα-helixtrans-68.6-45.7172.8-68.9172000111.3Y131 P132 R137 G138 F139Y131-L135 HydrophobicContact CD1-CD1 4.23Å; Y131-L135 HydrophobicContact CE1-CD1 3.88Å; Y131-L135 PolarHBondContact O-N 3.48Å; P132-L135 PolarHBondContact O-N 3Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.93Å; L135-G138 PolarHBondContact O-N 3.04Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 3.16Å; L135-F139 VanDerWaalsContact O-N 3.08Å
136V74.3Confident67.7Low82 Ų82114.3 Ų114.350%0.49757%0.567SS.*Hα-helixtrans-62.2-36.2176.6172.60000111.4P132 F139 W140P132-V136 VanDerWaalsContact O-CG2 3.29Å; P132-V136 WeakPolarHBondContact O-CG2 3.08Å; P132-V136 PolarHBondContact O-N 3.29Å; V136-F139 PolarHBondContact O-N 3.23Å; V136-W140 WeakPolarHBondContact O-CB 3.3Å; V136-W140 PolarHBondContact O-N 3.46Å
137R73.8Confident67.9Low168 Ų168106.3 Ų106.363%0.63454%0.544SS*.Hα-helixtrans-63.2-44.5175-172.9179.3177.398.35.3112L133 L135 F139 W140 D141L133-R137 VanDerWaalsContact O-CB 3.32Å; L133-R137 WeakPolarHBondContact O-CB 3.33Å; L133-R137 PolarHBondContact O-N 3.2Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.93Å; R137-F139 PolarHBondContact O-N 3.14Å; R137-W140 PolarHBondContact O-N 2.99Å; R137-D141 IonicContact NE-OD2 2.79Å; R137-D141 WeakPolarHBondContact O-CB 3.49Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.09Å
138G74.7Confident68Low36 Ų36106 Ų10637%0.37154%0.54SS..Hα-helixtrans-60.2-44.8175.800000112.6T134 L135 W140 D141 D142T134-G138 PolarHBondContact O-N 3.26Å; L135-G138 PolarHBondContact O-N 3.04Å; G138-W140 VanDerWaalsContact C-N 3.34Å; G138-W140 PolarHBondContact O-N 2.97Å; G138-D141 PolarHBondContact O-N 2.66Å; G138-D142 PolarHBondContact O-N 2.84Å
139F76.2Confident68.2Low151 Ų151102.8 Ų102.866%0.66253%0.533SS*.Hα-helixtrans-63.1-38.4174.5-88.5-80000112.9L135 V136 R137 V143L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 3.16Å; L135-F139 VanDerWaalsContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 3.23Å; R137-F139 PolarHBondContact O-N 3.14Å; F139-V143 WeakPolarHBondContact O-CB 3.21Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.26Å; F139-V143 PolarHBondContact O-N 3.33Å
140W75.1Confident68Low167 Ų167101.6 Ų101.663%0.63353%0.527SS*.Hα-helixtrans-70.7-38.6-179.8-156.6-77.7000112.3V136 R137 G138 D142 V143 M144V136-W140 WeakPolarHBondContact O-CB 3.3Å; V136-W140 PolarHBondContact O-N 3.46Å; R137-W140 PolarHBondContact O-N 2.99Å; G138-W140 VanDerWaalsContact C-N 3.34Å; G138-W140 PolarHBondContact O-N 2.97Å; W140-D142 VanDerWaalsContact C-N 3.35Å; W140-V143 PolarHBondContact O-N 3.21Å; W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 PolarHBondContact O-N 3.39Å
141D72.9Confident67.8Low82 Ų82102 Ų10244%0.43953%0.529SS..Hα-helixtrans-64.8-40.6177.4-71.4-22.1000110.5R137 G138 M144 S145R137-D141 IonicContact NE-OD2 2.79Å; R137-D141 WeakPolarHBondContact O-CB 3.49Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.09Å; G138-D141 PolarHBondContact O-N 2.66Å; D141-M144 PolarHBondContact O-N 2.81Å; D141-S145 WeakPolarHBondContact O-CB 3.36Å; D141-S145 PolarHBondContact O-N 3.26Å
142D74.5Confident67.3Low106 Ų10699.1 Ų99.157%0.56753%0.528SS*.Hα-helixtrans-66.9-44.6175.5-84-8.9000112.7G138 W140 S145 Q146G138-D142 PolarHBondContact O-N 2.84Å; W140-D142 VanDerWaalsContact C-N 3.35Å; D142-S145 PolarHBondContact O-N 2.89Å; D142-S145 PolarHBondContact O-OG 3.44Å; D142-Q146 PolarHBondContact O-N 3.3Å; D142-Q146 VanDerWaalsContact O-N 3.08Å
143V76.3Confident66.9Low94 Ų9499.4 Ų99.457%0.5753%0.532SS*.Hα-helixtrans-64.9-40.9176.5170.50000111.3F139 W140 S145 Q146 A147F139-V143 WeakPolarHBondContact O-CB 3.21Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.26Å; F139-V143 PolarHBondContact O-N 3.33Å; W140-V143 PolarHBondContact O-N 3.21Å; V143-S145 VanDerWaalsContact C-N 3.35Å; V143-Q146 PolarHBondContact O-N 2.99Å; V143-A147 WeakPolarHBondContact O-CB 3.47Å; V143-A147 PolarHBondContact O-N 3.26Å
144M76.3Confident66.8Low87 Ų8797.7 Ų97.743%0.42953%0.529SS..Hα-helixtrans-64.3-41.9176.7-171.766.674.700110.9W140 D141 Q146 A147 H148W140-M144 WeakPolarHBondContact O-CB 3.45Å; W140-M144 PolarHBondContact O-N 3.39Å; D141-M144 PolarHBondContact O-N 2.81Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.9Å; M144-A147 PolarHBondContact O-N 2.64Å; M144-H148 PolarHBondContact O-CD2 3.5Å; M144-H148 PolarHBondContact O-N 2.77Å
145S68.6Low66.7Low68 Ų68101.5 Ų101.548%0.47653%0.534SS..Hα-helixtrans-61.7-38.717779.80000112.4D141 D142 V143D141-S145 WeakPolarHBondContact O-CB 3.36Å; D141-S145 PolarHBondContact O-N 3.26Å; D142-S145 PolarHBondContact O-N 2.89Å; D142-S145 PolarHBondContact O-OG 3.44Å; V143-S145 VanDerWaalsContact C-N 3.35Å
146Q63Low67Low134 Ų134100.2 Ų100.263%0.62653%0.53SS*.Hα-helixtrans-72.8-36.1174.9-71.9-178.916.500112.3D142 V143 M144 H148 S149 L150D142-Q146 PolarHBondContact O-N 3.3Å; D142-Q146 VanDerWaalsContact O-N 3.08Å; V143-Q146 PolarHBondContact O-N 2.99Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 2.9Å; Q146-H148 VanDerWaalsContact C-N 3.32Å; Q146-H148 PolarHBondContact O-N 3.08Å; Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 PolarHBondContact O-OG 2.96Å; Q146-L150 PolarHBondContact O-N 3.37Å
147A61Low67.1Low32 Ų32100 Ų10026%0.26452%0.522SS..Hα-helixtrans-63.7-36.8176.600000112.2V143 M144 S149 L150 I151V143-A147 WeakPolarHBondContact O-CB 3.47Å; V143-A147 PolarHBondContact O-N 3.26Å; M144-A147 PolarHBondContact O-N 2.64Å; A147-S149 PolarHBondContact O-N 3.39Å; A147-L150 PolarHBondContact O-N 2.78Å; A147-I151 HydrophobicContact CB-CD1 4.48Å; A147-I151 WeakPolarHBondContact O-CD1 3.4Å; A147-I151 VanDerWaalsContact O-CG1 3.22Å; A147-I151 WeakPolarHBondContact O-CG1 3.28Å; A147-I151 PolarHBondContact O-N 2.9Å
148H59.4Low67.2Low123 Ų12399.1 Ų99.157%0.56952%0.52SS*.Hα-helixtrans-58.1-31.6173-80.2-67.4000113.1M144 Q146M144-H148 PolarHBondContact O-CD2 3.5Å; M144-H148 PolarHBondContact O-N 2.77Å; Q146-H148 VanDerWaalsContact C-N 3.32Å; Q146-H148 PolarHBondContact O-N 3.08Å
149S59.3Low67.3Low75 Ų75102 Ų10252%0.52453%0.526SS..Hα-helixtrans-74.8-26.2175.878.90000113.6Q146 A147 S152Q146-S149 WeakPolarHBondContact O-CB 3.49Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 VanDerWaalsContact O-N 3.09Å; Q146-S149 PolarHBondContact O-OG 2.96Å; A147-S149 PolarHBondContact O-N 3.39Å; S149-S152 PolarHBondContact O-OG 3.27Å
150L53.9Low67Low124 Ų124102 Ų10265%0.64953%0.529SS*.Hα-helixtrans-84.5-32.3176.9-64.8173.6000111.8Q146 A147 S152 S153Q146-L150 PolarHBondContact O-N 3.37Å; A147-L150 PolarHBondContact O-N 2.78Å; L150-S152 PolarHBondContact O-N 2.87Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.04Å
151I53.9Low66.8Low121 Ų12196.2 Ų96.262%0.62152%0.516SS*.Hα-helixtrans-69.8-21.4178.5-66.3161.9000111.8A147A147-I151 HydrophobicContact CB-CD1 4.48Å; A147-I151 WeakPolarHBondContact O-CD1 3.4Å; A147-I151 VanDerWaalsContact O-CG1 3.22Å; A147-I151 WeakPolarHBondContact O-CG1 3.28Å; A147-I151 PolarHBondContact O-N 2.9Å
152S52.8Low66.7Low74 Ų74101 Ų10152%0.51754%0.541SS..THydrogen-bonded Turntrans-92.43.8175.167.90000114.4S149 L150 S154S149-S152 PolarHBondContact O-OG 3.27Å; L150-S152 PolarHBondContact O-N 2.87Å; S152-S154 PolarHBondContact O-N 3.5Å
153S57.6Low66.6Low80 Ų80100.5 Ų100.556%0.55954%0.539SS*.  trans-67103-179.160.80000110.8L150 W155L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.83Å; L150-S153 PolarHBondContact O-OG 3.04Å; S153-W155 PolarHBondContact O-N 2.98Å
154S62.6Low66.6Low70 Ų7098.5 Ų98.549%0.4954%0.538SS..  trans-71.9114.8166.551.80000107.8S152 T171S152-S154 PolarHBondContact O-N 3.5Å; S154-T171 WeakPolarHBondContact CB-O 3.36Å
155W66.5Low66.2Low167 Ų167100.9 Ų100.963%0.63355%0.545SS*.  trans-88.2133.917455.9-55.5000108.3S153 F157 T171S153-W155 PolarHBondContact O-N 2.98Å; W155-F157 HydrophobicContact CZ3-CD1 4.5Å; W155-T171 HydrophobicContact CD2-CG2 4.36Å; W155-T171 HydrophobicContact CG-CG2 4.48Å; W155-T171 HydrophobicContact CZ2-CG2 3.96Å; W155-T171 VanDerWaalsContact NE1-CG2 3.25Å; W155-T171 PolarHBondContact NE1-OG1 3.22Å; W155-T171 PolarHBondContact O-N 2.89Å; W155-T171 PolarHBondContact O-OG1 3.06Å
156T74.5Confident66.7Low64 Ų64102.6 Ų102.639%0.39355%0.549SS..EExtended strand (participates in β ladder)trans-123.5127.5174.453.10000108.3F169 Q170T156-F169 WeakPolarHBondContact CA-O 3.29Å; T156-Q170 HydrophobicContact CG2-CB 3.97Å; T156-Q170 HydrophobicContact CG2-CG 3.86Å
157F75.4Confident67.2Low78 Ų7899.4 Ų99.434%0.34254%0.538SS..EExtended strand (participates in β ladder)trans-123.7138.2175.675.4-95000110.7W155 L159 F169W155-F157 HydrophobicContact CZ3-CD1 4.5Å; F157-L159 HydrophobicContact CD2-CD1 4.18Å; F157-L159 HydrophobicContact CD2-CD2 4.5Å; F157-L159 HydrophobicContact CD2-CG 3.8Å; F157-L159 HydrophobicContact CE2-CD1 3.55Å; F157-L159 HydrophobicContact CE2-CG 3.68Å; F157-F169 HydrophobicContact CD1-CB 3.69Å; F157-F169 HydrophobicContact CD1-CG 4.49Å; F157-F169 HydrophobicContact CD2-CB 4.32Å; F157-F169 AromaticContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CG 4.49Å; F157-F169 HydrophobicContact CE1-CB 3.22Å; F157-F169 HydrophobicContact CE1-CD2 4.07Å; F157-F169 AromaticContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE2-CB 3.91Å; F157-F169 AromaticContact CE2-CD2 3.14Å; F157-F169 HydrophobicContact CE2-CD2 3.14Å; F157-F169 AromaticContact CE2-CE2 3.76Å; F157-F169 HydrophobicContact CE2-CE2 3.76Å; F157-F169 AromaticContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CG-CB 4.23Å; F157-F169 HydrophobicContact CZ-CB 3.35Å; F157-F169 HydrophobicContact CZ-CD1 4.01Å; F157-F169 AromaticContact CZ-CD2 3.23Å; F157-F169 HydrophobicContact CZ-CD2 3.23Å; F157-F169 AromaticContact CZ-CE2 3.95Å; F157-F169 HydrophobicContact CZ-CE2 3.95Å; F157-F169 AromaticContact CZ-CG 3.25Å; F157-F169 HydrophobicContact CZ-CG 3.25Å; F157-F169 PolarHBondContact N-O 3.43Å; F157-F169 VanDerWaalsContact N-O 3.12Å; F157-F169 PolarHBondContact O-N 2.81Å; F157-F169 VanDerWaalsContact O-N 3.11Å
158Y77.3Confident68Low148 Ų148102.6 Ų102.658%0.5855%0.55SS*.EExtended strand (participates in β ladder)trans-104.4115.6-177.5-60.2-85.4000108.5L166 I168Y158-L166 HydrophobicContact CD1-CD1 4.48Å; Y158-L166 HydrophobicContact CD1-CD2 4.14Å; Y158-L166 HydrophobicContact CD1-CG 4.49Å; Y158-I168 HydrophobicContact CD1-CD1 4.4Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.35Å; Y158-I168 HydrophobicContact CE1-CD1 4.07Å; Y158-I168 HydrophobicContact CE1-CG1 3.99Å; Y158-I168 HydrophobicContact CE1-CG2 4.05Å
159L76.1Confident68.6Low98 Ų98101.2 Ų101.251%0.51354%0.543SS..EExtended strand (participates in β ladder)trans-107.7123.6169.9-72.5178.7000109.2F157 V167 F169F157-L159 HydrophobicContact CD2-CD1 4.18Å; F157-L159 HydrophobicContact CD2-CD2 4.5Å; F157-L159 HydrophobicContact CD2-CG 3.8Å; F157-L159 HydrophobicContact CE2-CD1 3.55Å; F157-L159 HydrophobicContact CE2-CG 3.68Å; L159-V167 PolarHBondContact N-O 3.24Å; L159-V167 PolarHBondContact O-N 3.45Å; L159-F169 HydrophobicContact CD1-CE2 4.18Å
160Q69.9Low69.2Low151 Ų151104 Ų10471%0.70655%0.547SS*.EExtended strand (participates in β ladder)trans-93.3110.8167.6-170.7171.6700107.4
161A71.5Confident70.1Confident45 Ų45100.3 Ų100.337%0.37253%0.53SS..  trans-76.6158.7174.200000110.3D163 G164 K165A161-D163 WeakPolarHBondContact CB-OD1 3.32Å; A161-D163 PolarHBondContact O-N 3.27Å; A161-G164 PolarHBondContact O-N 3.04Å; A161-K165 PolarHBondContact N-O 2.64Å; A161-K165 VanDerWaalsContact N-O 3.12Å
162D70.7Confident70.3Confident181 Ų181102.1 Ų102.197%0.96854%0.536SS*.THydrogen-bonded Turntrans-58.7-12.8-176.6-67.7-32.1000114.2G164D162-G164 VanDerWaalsContact C-N 3.32Å
163D73.3Confident70.4Confident96 Ų96102.2 Ų102.251%0.51353%0.534SS..THydrogen-bonded Turntrans-899.5174.573.3-25000114A161 K165A161-D163 WeakPolarHBondContact CB-OD1 3.32Å; A161-D163 PolarHBondContact O-N 3.27Å; D163-K165 PolarHBondContact O-N 2.82Å; D163-K165 PolarHBondContact OD1-N 3.38Å; D163-K165 WeakPolarHBondContact OD2-CD 3.43Å; D163-K165 WeakPolarHBondContact OD2-CE 3.4Å; D163-K165 IonicContact OD2-NZ 3.33Å; D163-K165 PolarHBondContact OD2-NZ 3.09Å
164G74.7Confident69.9Low53 Ų53106.4 Ų106.455%0.54655%0.545SS..SBendtrans75.57177.400000114.3A161 D162A161-G164 PolarHBondContact O-N 3.04Å; D162-G164 VanDerWaalsContact C-N 3.32Å
165K68.5Low69.6Low136 Ų136108.8 Ų108.859%0.59155%0.551SS**  trans-90.1133.2176.3-64.2-176.5-164.2128.90110.8A161 D163A161-K165 PolarHBondContact N-O 2.64Å; A161-K165 VanDerWaalsContact N-O 3.12Å; D163-K165 PolarHBondContact O-N 2.82Å; D163-K165 PolarHBondContact OD1-N 3.38Å; D163-K165 WeakPolarHBondContact OD2-CD 3.43Å; D163-K165 WeakPolarHBondContact OD2-CE 3.4Å; D163-K165 IonicContact OD2-NZ 3.33Å; D163-K165 PolarHBondContact OD2-NZ 3.09Å
166L78.1Confident68.4Low105 Ų105108.9 Ų108.955%0.5556%0.559SS.*EExtended strand (participates in β ladder)trans-90.3119.5176.3-17172.3000109.4Y158 I168Y158-L166 HydrophobicContact CD1-CD1 4.48Å; Y158-L166 HydrophobicContact CD1-CD2 4.14Å; Y158-L166 HydrophobicContact CD1-CG 4.49Å; L166-I168 HydrophobicContact CD2-CD1 4.48Å; L166-I168 HydrophobicContact CD2-CG1 4.33Å; L166-I168 HydrophobicContact CG-CG1 4.39Å
167V74.7Confident67.1Low67 Ų67113.8 Ų113.841%0.40658%0.575SS.*EExtended strand (participates in β ladder)trans-105.7123.7172.3-172.10000108.5L159 F169L159-V167 PolarHBondContact N-O 3.24Å; L159-V167 PolarHBondContact O-N 3.45Å; V167-F169 HydrophobicContact CB-CE2 3.95Å; V167-F169 HydrophobicContact CB-CZ 4.5Å; V167-F169 HydrophobicContact CG1-CD2 4.03Å; V167-F169 HydrophobicContact CG1-CE1 4.34Å; V167-F169 HydrophobicContact CG1-CE2 3.4Å; V167-F169 HydrophobicContact CG1-CZ 3.59Å
168I77.3Confident65.4Low98 Ų98117.6 Ų117.650%0.50360%0.597SS.*EExtended strand (participates in β ladder)trans-103.6120.7-179-51.8174.9000107.6Y158 L166Y158-I168 HydrophobicContact CD1-CD1 4.4Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.35Å; Y158-I168 HydrophobicContact CE1-CD1 4.07Å; Y158-I168 HydrophobicContact CE1-CG1 3.99Å; Y158-I168 HydrophobicContact CE1-CG2 4.05Å; L166-I168 HydrophobicContact CD2-CD1 4.48Å; L166-I168 HydrophobicContact CD2-CG1 4.33Å; L166-I168 HydrophobicContact CG-CG1 4.39Å
169F72.3Confident63.9Low95 Ų95115.5 Ų115.542%0.41760%0.602SS.*EExtended strand (participates in β ladder)trans-106.4116.3173.5-66.1-90.3000108.5T156 F157 L159 V167T156-F169 WeakPolarHBondContact CA-O 3.29Å; F157-F169 HydrophobicContact CD1-CB 3.69Å; F157-F169 HydrophobicContact CD1-CG 4.49Å; F157-F169 HydrophobicContact CD2-CB 4.32Å; F157-F169 AromaticContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CD2 3.93Å; F157-F169 HydrophobicContact CD2-CG 4.49Å; F157-F169 HydrophobicContact CE1-CB 3.22Å; F157-F169 HydrophobicContact CE1-CD2 4.07Å; F157-F169 AromaticContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE1-CG 3.72Å; F157-F169 HydrophobicContact CE2-CB 3.91Å; F157-F169 AromaticContact CE2-CD2 3.14Å; F157-F169 HydrophobicContact CE2-CD2 3.14Å; F157-F169 AromaticContact CE2-CE2 3.76Å; F157-F169 HydrophobicContact CE2-CE2 3.76Å; F157-F169 AromaticContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CE2-CG 3.7Å; F157-F169 HydrophobicContact CG-CB 4.23Å; F157-F169 HydrophobicContact CZ-CB 3.35Å; F157-F169 HydrophobicContact CZ-CD1 4.01Å; F157-F169 AromaticContact CZ-CD2 3.23Å; F157-F169 HydrophobicContact CZ-CD2 3.23Å; F157-F169 AromaticContact CZ-CE2 3.95Å; F157-F169 HydrophobicContact CZ-CE2 3.95Å; F157-F169 AromaticContact CZ-CG 3.25Å; F157-F169 HydrophobicContact CZ-CG 3.25Å; F157-F169 PolarHBondContact N-O 3.43Å; F157-F169 VanDerWaalsContact N-O 3.12Å; F157-F169 PolarHBondContact O-N 2.81Å; F157-F169 VanDerWaalsContact O-N 3.11Å; L159-F169 HydrophobicContact CD1-CE2 4.18Å; V167-F169 HydrophobicContact CB-CE2 3.95Å; V167-F169 HydrophobicContact CB-CZ 4.5Å; V167-F169 HydrophobicContact CG1-CD2 4.03Å; V167-F169 HydrophobicContact CG1-CE1 4.34Å; V167-F169 HydrophobicContact CG1-CE2 3.4Å; V167-F169 HydrophobicContact CG1-CZ 3.59Å
170Q72.2Confident62.2Low132 Ų132115.2 Ų115.262%0.61761%0.613SS**EExtended strand (participates in β ladder)trans-116127178.1178.2176.4-3.900108.9T156T156-Q170 HydrophobicContact CG2-CB 3.97Å; T156-Q170 HydrophobicContact CG2-CG 3.86Å
171T71.4Confident60.7Low48 Ų48118.3 Ų118.329%0.29463%0.625SS.*  trans-97.9130.7171.765.90000110.5S154 W155S154-T171 WeakPolarHBondContact CB-O 3.36Å; W155-T171 HydrophobicContact CD2-CG2 4.36Å; W155-T171 HydrophobicContact CG-CG2 4.48Å; W155-T171 HydrophobicContact CZ2-CG2 3.96Å; W155-T171 VanDerWaalsContact NE1-CG2 3.25Å; W155-T171 PolarHBondContact NE1-OG1 3.22Å; W155-T171 PolarHBondContact O-N 2.89Å; W155-T171 PolarHBondContact O-OG1 3.06Å
172E59.1Low59Low159 Ų159124.8 Ų124.874%0.74365%0.647SS**  trans-95.9135.1168.1-72.1-177.4146.900110.5Q174E172-Q174 PolarHBondContact O-N 3.35Å
173P55Low57.5Low75 Ų75124.4 Ų124.449%0.48765%0.645SS.*  trans-72.7110.1174.728.9-31.8000109.9I175P173-I175 PolarHBondContact O-N 3.41Å
174Q47.5Very low55.6Low168 Ų168127.8 Ų127.879%0.78566%0.657SS**  trans-82.990.6168.9-71.9-158.81000110.3E172 Q176E172-Q174 PolarHBondContact O-N 3.35Å; Q174-Q176 PolarHBondContact O-N 3.08Å
175I55.5Low53.9Low120 Ų120134.7 Ų134.762%0.61567%0.672SS**  trans-80.7100.7166.912168.7000108.2P173 F177P173-I175 PolarHBondContact O-N 3.41Å; I175-F177 HydrophobicContact CB-CE2 4.1Å; I175-F177 HydrophobicContact CB-CZ 4.32Å; I175-F177 HydrophobicContact CD1-CE2 3.83Å; I175-F177 HydrophobicContact CD1-CZ 3.84Å; I175-F177 HydrophobicContact CG1-CE2 4.32Å; I175-F177 PolarHBondContact O-N 3.33Å
176Q40.7Very low52.1Low169 Ų169135 Ų13579%0.7968%0.68SS**  trans-78.2100.1164.8-69.8-17613.200108.1Q174 I178Q174-Q176 PolarHBondContact O-N 3.08Å; Q176-I178 PolarHBondContact O-N 2.73Å
177F47Very low49.8Very low167 Ų167137 Ų13773%0.73269%0.691SS**  trans-69.3114.2166.4-65-81.1000107.8I175 P179I175-F177 HydrophobicContact CB-CE2 4.1Å; I175-F177 HydrophobicContact CB-CZ 4.32Å; I175-F177 HydrophobicContact CD1-CE2 3.83Å; I175-F177 HydrophobicContact CD1-CZ 3.84Å; I175-F177 HydrophobicContact CG1-CE2 4.32Å; I175-F177 PolarHBondContact O-N 3.33Å; F177-P179 WeakPolarHBondContact O-CD 3.38Å
178I40.9Very low47.8Very low158 Ų158139.1 Ų139.181%0.8171%0.705SS**  trans-72.2109.4166-56.4170.2000105.3Q176 A180Q176-I178 PolarHBondContact O-N 2.73Å; I178-A180 PolarHBondContact O-N 2.92Å
179P44.5Very low45.4Very low105 Ų105146.2 Ų146.268%0.68273%0.725SS**  trans-65130.2178.127-31.1000108.3F177 F181F177-P179 WeakPolarHBondContact O-CD 3.38Å; P179-F181 PolarHBondContact O-N 2.84Å
180A42.4Very low43.2Very low91 Ų91145.3 Ų145.375%0.75274%0.742SS**  trans-52.9129.6167.500000108.2I178 E182I178-A180 PolarHBondContact O-N 2.92Å; A180-E182 PolarHBondContact O-N 3.49Å
181F38.1Very low41Very low216 Ų216147.7 Ų147.795%0.94775%0.753SS**  trans-36.6103.1-179.3-94.7-100.7000112.4P179 L183P179-F181 PolarHBondContact O-N 2.84Å; F181-L183 PolarHBondContact O-N 3.18Å
182E34.6Very low39.5Very low181 Ų181150.2 Ų150.285%0.84677%0.771SS**  trans-73.5110.1162.7-81.8-174.515700107.5A180 Q184A180-E182 PolarHBondContact O-N 3.49Å; E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.47Å
183L38.9Very low37.9Very low174 Ų174150.1 Ų150.191%0.91177%0.77SS**  trans-67.589.4169.1-169.674000108F181 K185F181-L183 PolarHBondContact O-N 3.18Å; L183-K185 PolarHBondContact O-N 3.05Å
184Q34.2Very low36.4Very low167 Ų167154.9 Ų154.978%0.7878%0.783SS**  trans-64.2115.9178.2-162.9171.657.600109.5E182E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.47Å
185K37.9Very low35.3Very low198 Ų198158.3 Ų158.386%0.86179%0.789SS**  trans-97.498.4175.6-164.3-176.1-171.6-176.80106.6L183L183-K185 PolarHBondContact O-N 3.05Å
186D30.8Very low33.9Very low142 Ų142163.1 Ų163.176%0.75980%0.801SS**  trans-123.9123.5168.6-89.3-41000111.1
187D30.3Very low33.8Very low146 Ų146161.1 Ų161.178%0.78180%0.802SS**  trans-92.7114.4-175.3-146.3-30.5000108.6
188V32.8Very low33Very low113 Ų113156.4 Ų156.469%0.68580%0.801SS**  trans47.1123.9136.1-179.10000119
189R27.5Very low32.5Very low247 Ų247157.6 Ų157.693%0.93281%0.808SS**  174.8128.895.7-148.5164.4-140.2-120.41.4114.5
190G25.4Very low31.8Very low75 Ų75156.2 Ų156.277%0.77381%0.813SS**  trans146.681.1154.900000116.3
191E25.8Very low31.2Very low183 Ų183157.5 Ų157.586%0.85582%0.816SS**  trans-76-165.6174.7-49-157.511700114.2
192P39.5Very low31.7Very low101 Ų101152.5 Ų152.566%0.65681%0.806SS**  cis-146.2-179.3-3.628.1-1.8000119
193Q25.5Very low31.5Very low157 Ų157150.5 Ų150.573%0.73481%0.806SS**  trans111.3126.6153.7-68-168.810.800114.9
194K25.3Very low31.5Very low175 Ų175152 Ų15276%0.76180%0.801SS**  cis-156.515413.4-88.6144.6175.5169.10104.7
195R24.6Very low31.2Very low240 Ų240152.8 Ų152.891%0.90680%0.801SS**  cis-177.8132.949.9-152176.6-146-1724.2108.1
196Y25.8Very low30.9Very low221 Ų221149.1 Ų149.187%0.86779%0.791SS**  trans-89.7174.3169.8-86.7-77.7000110.6
197P37.4Very low30.9Very low126 Ų126151.3 Ų151.382%0.81879%0.79SS**  cis-136.7146.634.436.1-14.7000116.5
198G30.6Very low30.7Very low69 Ų69152 Ų15271%0.71179%0.789SS**  108.2139.878.900000107.9
199L29.7Very low31.1Very low182 Ų182158.4 Ų158.495%0.95380%0.801SS**  cis-174.4145.320.1-177.174.5000107.2
200G29.8Very low31.1Very low76 Ų76151.2 Ų151.278%0.78479%0.788SS**  trans104.8103.8149.200000119.6
201S30.5Very low31.2Very low118 Ų118156.9 Ų156.983%0.82579%0.792SS**  trans-72.7-173.3156.256.30000112.1
202P49Very low31.7Very low111 Ų111153.2 Ų153.272%0.72178%0.782SS**  -120.4151.4-7035.9-20.8000110.9
203V30Very low31.3Very low140 Ų140155.4 Ų155.485%0.84878%0.783SS**  trans-145.1116165.1-178.70000111
204Y39.3Very low31.6Very low205 Ų205154.7 Ų154.780%0.80478%0.78SS**  trans-70.9128.5163.9-157-86.4000108.9
205K26.7Very low32Very low183 Ų183155.9 Ų155.980%0.79678%0.78SS**  trans-167.6128147.6-115173.4-178.8177.90112.3
206D33.1Very low32.4Very low121 Ų121151.4 Ų151.465%0.64777%0.774SS**  trans-39.1158.7156.3-70.7-71.4000113
207Y29.7Very low32.9Very low188 Ų188150.7 Ų150.774%0.73777%0.77SS**  179.2130.2114.5-105.9-91.1000112.2
208Q26.4Very low32.5Very low160 Ų160151.3 Ų151.375%0.74877%0.766SS**  trans36.4118.6138.6-70.9-168.5-42.400122.8
209R41.8Very low33Very low248 Ų248157.4 Ų157.494%0.93678%0.778SS**  trans-23.4116.6132.6-165.7-177-147.7146.53.7115.6
210S26.5Very low33.2Very low96 Ų96159.1 Ų159.167%0.67177%0.773SS**  trans-171.5124.1141.951.70000113.7
211F29.2Very low33.4Very low194 Ų194160.8 Ų160.885%0.85177%0.768SS**  trans63.9114.6134.3-82.5-99.5000122.3
212V34.7Very low33.4Very low106 Ų106162 Ų16264%0.64277%0.766SS**  69.5125.5121.2173.70000120.3
213Q32.2Very low32.7Very low147 Ų147168 Ų16869%0.68777%0.774SS**  trans51.4124.4153.7-91.9167.6-8600119.2
214E30.9Very low32.8Very low143 Ų143165.5 Ų165.567%0.66876%0.762SS**  -169.4151.692.8-153.876-139.600109.3
215R34.6Very low33.2Very low199 Ų199163.1 Ų163.175%0.75176%0.762SS**  trans-62.7153.1-178.1-53.9167.1-176.498.7-4.8112.9
216D31.6Very low33.8Very low146 Ų146161.6 Ų161.678%0.78176%0.763SS**  -159.6150.9108.8-142.2-8.8000113
217R36.1Very low34.4Very low207 Ų207164.4 Ų164.478%0.78177%0.772SS**  trans-50169-177.5-76.5174172.4177-0.4117.4
218D29.7Very low35.1Very low139 Ų139160.8 Ų160.874%0.74377%0.765SS**  cis-169.2132.2-1.4-99.2-31.4000105.9
219M41.5Very low35.7Very low197 Ų197159.5 Ų159.597%0.9776%0.764SS**  trans-165.3143.7135-142.2176.375.500111.1
220Y33Very low36.2Very low217 Ų217157.4 Ų157.485%0.85176%0.757SS**  trans-98.5146.2-148.4-156.7-124000112.5
221V35.5Very low37.6Very low111 Ų111157.4 Ų157.467%0.67375%0.749SS**  trans90.997.1151.3-162.30000121.3
222D30.1Very low39Very low144 Ų144155 Ų15577%0.7775%0.745SS**  62.497.6120.9-153.636.9000120.6
223R33.3Very low39.9Very low237 Ų237153.2 Ų153.289%0.89473%0.729SS**  -149.2118.1128.9-159.4112.195.2102.35.2110.9
224S33.5Very low41.1Very low87 Ų87150.2 Ų150.261%0.60872%0.724SS**  trans-42.5131.8174.642.90000116.8
225I46.1Very low42.3Very low155 Ų155148.6 Ų148.680%0.79573%0.727SS**  trans4095.7131.1-47.9175000116.1
226N39.2Very low43.2Very low151 Ų151144.5 Ų144.581%0.80772%0.719SS**  trans174.385.9132.4-104.1-8.8000111.7
227E46.4Very low44.2Very low181 Ų181139.9 Ų139.985%0.84670%0.699SS**  trans-137105.7146.6-65.7-156.7163.100102.5
228D43.5Very low45.1Very low112 Ų112140.3 Ų140.360%0.59970%0.7SS**  -163.2120.588.2-66.5-42.7000110.4Y230D228-Y230 HydrophobicContact CB-CE1 4.18Å
229N40.5Very low46.6Very low133 Ų133139.5 Ų139.571%0.71170%0.696SS**  trans-148.494.3158.5-90.4-53.2000108.5N231N229-N231 PolarHBondContact O-N 3.45Å; N229-N231 PolarHBondContact O-ND2 2.92Å
230Y52.9Low47.3Very low203 Ų203136 Ų13680%0.79669%0.688SS**  trans-68.283.9163.92.7-86.3000107.8D228 L232D228-Y230 HydrophobicContact CB-CE1 4.18Å; Y230-L232 PolarHBondContact O-N 2.91Å; Y230-L232 VanDerWaalsContact O-N 3.15Å
231N55.7Low48.4Very low96 Ų96136.7 Ų136.751%0.51369%0.689SS.*  trans-74.1103178.8-69.5-52.6000109.4N229 F233 S234N229-N231 PolarHBondContact O-N 3.45Å; N229-N231 PolarHBondContact O-ND2 2.92Å; N231-F233 PolarHBondContact O-N 3.45Å; N231-S234 VanDerWaalsContact O-CB 3.28Å; N231-S234 WeakPolarHBondContact O-CB 3.4Å; N231-S234 PolarHBondContact O-N 3.49Å
232L56.8Low49.5Very low144 Ų144136.4 Ų136.475%0.75468%0.683SS**G310 helixtrans-47.6-25.6169.2-170.3109.6000112.6Y230 S234Y230-L232 PolarHBondContact O-N 2.91Å; Y230-L232 VanDerWaalsContact O-N 3.15Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 3.43Å
233F54.3Low51.6Low69 Ų69133 Ų13330%0.30367%0.669SS.*G310 helixtrans-75.8-12.9178.9-60.5-69.9000115.1N231 C235 L236 S237 L247 T248 L251N231-F233 PolarHBondContact O-N 3.45Å; F233-C235 PolarHBondContact O-N 3.21Å; F233-L236 PolarHBondContact O-N 3.08Å; F233-S237 PolarHBondContact O-N 3.2Å; F233-S237 VanDerWaalsContact O-N 3.1Å; F233-S237 PolarHBondContact O-OG 3.17Å; F233-L247 HydrophobicContact CD1-CD2 3.78Å; F233-L247 HydrophobicContact CE1-CD2 4.11Å; F233-T248 HydrophobicContact CD2-CG2 4.12Å; F233-T248 HydrophobicContact CE2-CG2 4.24Å; F233-T248 HydrophobicContact CG-CG2 4.31Å; F233-L251 HydrophobicContact CE1-CD1 3.87Å; F233-L251 HydrophobicContact CZ-CD1 4.27Å
234S56.8Low53.2Low84 Ų84123.3 Ų123.359%0.58764%0.643SS**G310 helixtrans-65.3-26-178.7-170.80000113N231 L232 S237N231-S234 VanDerWaalsContact O-CB 3.28Å; N231-S234 WeakPolarHBondContact O-CB 3.4Å; N231-S234 PolarHBondContact O-N 3.49Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 3.43Å; S234-S237 PolarHBondContact O-OG 3.37Å
235C57Low54.9Low109 Ų109129.3 Ų129.374%0.73665%0.652SS**THydrogen-bonded Turntrans-79.4-28.9175.8-71.70000113.4F233F233-C235 PolarHBondContact O-N 3.21Å
236L53.9Low56.3Low112 Ų112125.7 Ų125.759%0.58663%0.633SS**THydrogen-bonded Turntrans-85-25.6179.6-77.1158.9000112.5F233 R238 L247F233-L236 PolarHBondContact O-N 3.08Å; L236-R238 PolarHBondContact O-N 2.92Å; L236-L247 HydrophobicContact CB-CD1 4.11Å
237S52.8Low57.9Low49 Ų49120.7 Ų120.734%0.34361%0.606SS.*THydrogen-bonded Turntrans-83.714.9-18071.30000114.3F233 S234 N239F233-S237 PolarHBondContact O-N 3.2Å; F233-S237 VanDerWaalsContact O-N 3.1Å; F233-S237 PolarHBondContact O-OG 3.17Å; S234-S237 PolarHBondContact O-OG 3.37Å; S237-N239 PolarHBondContact O-N 2.99Å; S237-N239 VanDerWaalsContact O-N 3.14Å
238R55.2Low59.3Low217 Ų217114 Ų11482%0.81958%0.578SS**  trans-72.3-3-176.2-157.3156.8176.7149.9-4.2113.8L236L236-R238 PolarHBondContact O-N 2.92Å
239N60.7Low61Low121 Ų121111.9 Ų111.965%0.64757%0.569SS**SBendtrans-88.4119.5169.9-68.3-35.8000110S237 W241S237-N239 PolarHBondContact O-N 2.99Å; S237-N239 VanDerWaalsContact O-N 3.14Å; N239-W241 PolarHBondContact O-N 3.22Å
240P55.6Low63.1Low123 Ų123109.2 Ų109.280%0.79956%0.558SS**THydrogen-bonded Turntrans-70.39-169.223.2-30.1000116.1
241W57.5Low64.5Low232 Ų232102.7 Ų102.788%0.87954%0.537SS*.THydrogen-bonded Turntrans-114.4-1.2-173.7-7881.1000114.9N239N239-W241 PolarHBondContact O-N 3.22Å
242L58.2Low65.9Low105 Ų105102.6 Ų102.655%0.5554%0.535SS..SBendtrans-126.3108.9179.1-102.3138.6000110.9G244 I246L242-G244 PolarHBondContact O-N 2.75Å; L242-I246 HydrophobicContact CD2-CB 4.1Å; L242-I246 HydrophobicContact CD2-CG2 3.76Å
243P72.8Confident67.2Low73 Ų73100.6 Ų100.647%0.47453%0.525SS..  trans-56.1132.4172.8-12.819.8000110.3W245 I246P243-W245 PolarHBondContact O-N 3.38Å; P243-I246 HydrophobicContact CB-CD1 4.43Å; P243-I246 HydrophobicContact CB-CG1 4.21Å; P243-I246 HydrophobicContact CG-CD1 3.75Å; P243-I246 HydrophobicContact CG-CG1 4.08Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.92Å
244G66.9Low68.7Low33 Ų33100.2 Ų100.234%0.3453%0.53SS..Hα-helixtrans-55.9-26.7-178.400000114.5L242 I246 L247 T248L242-G244 PolarHBondContact O-N 2.75Å; G244-I246 VanDerWaalsContact C-N 3.29Å; G244-I246 PolarHBondContact O-N 3.28Å; G244-L247 PolarHBondContact O-N 2.65Å; G244-T248 PolarHBondContact O-N 2.69Å; G244-T248 PolarHBondContact O-OG1 3.23Å
245W70.2Confident70.4Confident214 Ų214100 Ų10081%0.81152%0.522SS*.Hα-helixtrans-63.7-30.4172.7-59.890.8000113.5P243 T248 T249P243-W245 PolarHBondContact O-N 3.38Å; W245-T248 WeakPolarHBondContact CA-OG1 3.22Å; W245-T248 PolarHBondContact O-OG1 3.46Å; W245-T248 VanDerWaalsContact O-OG1 3.11Å; W245-T249 WeakPolarHBondContact O-CB 3.42Å; W245-T249 WeakPolarHBondContact O-CG2 3.28Å; W245-T249 PolarHBondContact O-N 2.84Å; W245-T249 PolarHBondContact O-OG1 3.4Å
246I75.8Confident71.8Confident78 Ų7899.6 Ų99.640%0.451%0.512SS..Hα-helixtrans-73.1-36.2175.9-59.1-171.4000110L242 P243 G244 T249 T250L242-I246 HydrophobicContact CD2-CB 4.1Å; L242-I246 HydrophobicContact CD2-CG2 3.76Å; P243-I246 HydrophobicContact CB-CD1 4.43Å; P243-I246 HydrophobicContact CB-CG1 4.21Å; P243-I246 HydrophobicContact CG-CD1 3.75Å; P243-I246 HydrophobicContact CG-CG1 4.08Å; P243-I246 WeakPolarHBondContact O-CB 3.48Å; P243-I246 PolarHBondContact O-N 2.92Å; G244-I246 VanDerWaalsContact C-N 3.29Å; G244-I246 PolarHBondContact O-N 3.28Å; I246-T249 VanDerWaalsContact CA-OG1 3.32Å; I246-T249 WeakPolarHBondContact CA-OG1 3.37Å; I246-T249 PolarHBondContact O-OG1 3.28Å; I246-T249 VanDerWaalsContact O-OG1 3.05Å; I246-T250 HydrophobicContact CG2-CG2 4.22Å; I246-T250 WeakPolarHBondContact O-CB 3.32Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 2.84Å
247L71.6Confident73.5Confident46 Ų4698 Ų9824%0.24151%0.506CS..Hα-helixtrans-70.1-42.8178.3-161.3156.6000111.1F233 L236 G244 T250 L251F233-L247 HydrophobicContact CD1-CD2 3.78Å; F233-L247 HydrophobicContact CE1-CD2 4.11Å; L236-L247 HydrophobicContact CB-CD1 4.11Å; G244-L247 PolarHBondContact O-N 2.65Å; L247-T250 WeakPolarHBondContact CA-OG1 3.25Å; L247-T250 PolarHBondContact O-OG1 3.35Å; L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å
248T76.3Confident75Confident40 Ų40100.7 Ų100.725%0.24552%0.516CS..Hα-helixtrans-66.7-42.8176.256.40000111.8F233 G244 W245 L251 I252F233-T248 HydrophobicContact CD2-CG2 4.12Å; F233-T248 HydrophobicContact CE2-CG2 4.24Å; F233-T248 HydrophobicContact CG-CG2 4.31Å; G244-T248 PolarHBondContact O-N 2.69Å; G244-T248 PolarHBondContact O-OG1 3.23Å; W245-T248 WeakPolarHBondContact CA-OG1 3.22Å; W245-T248 PolarHBondContact O-OG1 3.46Å; W245-T248 VanDerWaalsContact O-OG1 3.11Å; T248-L251 PolarHBondContact O-N 2.86Å; T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CD1 3.43Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.33Å
249T80.3Confident76.6Confident69 Ų6994.8 Ų94.842%0.42350%0.5SS..Hα-helixtrans-65.8-41.3177.551.80000112.6W245 I246 I252 L253W245-T249 WeakPolarHBondContact O-CB 3.42Å; W245-T249 WeakPolarHBondContact O-CG2 3.28Å; W245-T249 PolarHBondContact O-N 2.84Å; W245-T249 PolarHBondContact O-OG1 3.4Å; I246-T249 VanDerWaalsContact CA-OG1 3.32Å; I246-T249 WeakPolarHBondContact CA-OG1 3.37Å; I246-T249 PolarHBondContact O-OG1 3.28Å; I246-T249 VanDerWaalsContact O-OG1 3.05Å; T249-I252 PolarHBondContact O-N 2.93Å; T249-L253 VanDerWaalsContact O-CB 3.28Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 3.34Å
250T84.1Confident78Confident76 Ų7697.7 Ų97.747%0.46650%0.502SS..Hα-helixtrans-66.9-39.517750.60000112.5I246 L247 L253 S254I246-T250 HydrophobicContact CG2-CG2 4.22Å; I246-T250 WeakPolarHBondContact O-CB 3.32Å; I246-T250 WeakPolarHBondContact O-CG2 3.5Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 2.84Å; L247-T250 WeakPolarHBondContact CA-OG1 3.25Å; L247-T250 PolarHBondContact O-OG1 3.35Å; T250-L253 PolarHBondContact O-N 3.12Å; T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.04Å
251L82.2Confident79.4Confident67 Ų6795.5 Ų95.535%0.35148%0.483SS..Hα-helixtrans-61.9-49.3174.1-173.6158.7000110.8F233 L247 T248 L253 S254 I255F233-L251 HydrophobicContact CE1-CD1 3.87Å; F233-L251 HydrophobicContact CZ-CD1 4.27Å; L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 PolarHBondContact O-N 3.3Å; T248-L251 PolarHBondContact O-N 2.86Å; L251-L253 PolarHBondContact O-N 3.44Å; L251-S254 PolarHBondContact O-N 3.11Å; L251-S254 PolarHBondContact O-OG 3.31Å; L251-I255 HydrophobicContact CD2-CD1 3.54Å; L251-I255 HydrophobicContact CD2-CG1 4.35Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 2.88Å; L251-I255 VanDerWaalsContact O-N 3.09Å
252I85.3Confident80.5Confident93 Ų9388 Ų8848%0.47747%0.465SS..Hα-helixtrans-61.3-45178.1-68.4165.5000110.7T248 T249 S254 I255 L256T248-I252 WeakPolarHBondContact O-CB 3.36Å; T248-I252 WeakPolarHBondContact O-CD1 3.43Å; T248-I252 WeakPolarHBondContact O-CG1 3.43Å; T248-I252 PolarHBondContact O-N 3.33Å; T249-I252 PolarHBondContact O-N 2.93Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.49Å; I252-I255 PolarHBondContact O-N 2.95Å; I252-L256 HydrophobicContact CG2-CD1 4.08Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.23Å
253L83.4Confident81.4Confident103 Ų10386.7 Ų86.754%0.53946%0.464SS..Hα-helixtrans-60.9-39176-76.8169.6000111.6T249 T250 L251 I255 L256 V257T249-L253 VanDerWaalsContact O-CB 3.28Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 3.34Å; T250-L253 PolarHBondContact O-N 3.12Å; L251-L253 PolarHBondContact O-N 3.44Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.94Å; L253-L256 PolarHBondContact O-N 2.89Å; L253-V257 WeakPolarHBondContact O-CB 3.33Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.26Å
254S86.6Confident81.7Confident60 Ų6084.9 Ų84.942%0.4246%0.455SS..Hα-helixtrans-62.6-41.2175.986.10000111.9T250 L251 I252 V257 L258T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.04Å; L251-S254 PolarHBondContact O-N 3.11Å; L251-S254 PolarHBondContact O-OG 3.31Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.49Å; S254-V257 PolarHBondContact O-N 2.74Å; S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.05Å
255I91.1Very high82.1Confident80 Ų8087 Ų8741%0.4146%0.461SS..Hα-helixtrans-66.5-44178.1-65.6173.4000110.2L251 I252 L253 V257 L258 I259L251-I255 HydrophobicContact CD2-CD1 3.54Å; L251-I255 HydrophobicContact CD2-CG1 4.35Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 2.88Å; L251-I255 VanDerWaalsContact O-N 3.09Å; I252-I255 PolarHBondContact O-N 2.95Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.94Å; I255-V257 VanDerWaalsContact C-N 3.32Å; I255-V257 PolarHBondContact O-N 3.37Å; I255-L258 PolarHBondContact O-N 3.13Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.38Å; I255-I259 PolarHBondContact O-N 2.9Å
256L86.3Confident82.1Confident101 Ų10182.3 Ų82.353%0.52946%0.456SS..Hα-helixtrans-62.6-38.8177.2-68.7174.9000112I252 L253 W260I252-L256 HydrophobicContact CG2-CD1 4.08Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.23Å; L253-L256 PolarHBondContact O-N 2.89Å; L256-W260 VanDerWaalsContact O-CB 3.3Å; L256-W260 WeakPolarHBondContact O-CB 3.39Å; L256-W260 PolarHBondContact O-N 3.37Å
257V90.9Very high82Confident77 Ų7782.7 Ų82.747%0.46747%0.471SS..Hα-helixtrans-67.9-41.9175.4171.40000111.2L253 S254 I255 W260 I261L253-V257 WeakPolarHBondContact O-CB 3.33Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.26Å; S254-V257 PolarHBondContact O-N 2.74Å; I255-V257 VanDerWaalsContact C-N 3.32Å; I255-V257 PolarHBondContact O-N 3.37Å; V257-W260 PolarHBondContact O-N 2.94Å; V257-I261 HydrophobicContact CG1-CD1 3.8Å; V257-I261 HydrophobicContact CG1-CG1 4.34Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.3Å; V257-I261 PolarHBondContact O-N 2.92Å
258L84.2Confident81.6Confident107 Ų10785.6 Ų85.656%0.5649%0.49SS*.Hα-helixtrans-61.9-43.8174.8-74171.8000111.8S254 I255 I261 C262S254-L258 WeakPolarHBondContact O-CB 3.48Å; S254-L258 VanDerWaalsContact O-CG 3.32Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.05Å; I255-L258 PolarHBondContact O-N 3.13Å; L258-I261 PolarHBondContact O-N 3.44Å; L258-C262 WeakPolarHBondContact O-CB 3.18Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 3.19Å
259I87.6Confident80.2Confident92 Ų9286.6 Ų86.647%0.47250%0.503SS..Hα-helixtrans-63.2-43.5175.5-67.9167.8000110.4I255 C262 C263I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.38Å; I255-I259 PolarHBondContact O-N 2.9Å; I259-C262 PolarHBondContact O-N 3.36Å; I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.97Å; I259-C263 PolarHBondContact O-SG 3.28Å; I259-C263 VanDerWaalsContact O-SG 3.33Å
260W90.1Very high78.8Confident182 Ų18289.3 Ų89.369%0.68952%0.519SS*.Hα-helixtrans-62.8-43.1177.5-179.580.5000112.1L256 V257 C263 A264L256-W260 VanDerWaalsContact O-CB 3.3Å; L256-W260 WeakPolarHBondContact O-CB 3.39Å; L256-W260 PolarHBondContact O-N 3.37Å; V257-W260 PolarHBondContact O-N 2.94Å; W260-C263 PolarHBondContact O-N 3.2Å; W260-A264 VanDerWaalsContact O-CB 3.26Å; W260-A264 WeakPolarHBondContact O-CB 3.22Å; W260-A264 PolarHBondContact O-N 2.77Å
261I86.9Confident76.8Confident78 Ų7892.6 Ų92.640%0.453%0.534SS..Hα-helixtrans-64.2-43.9175.1-67.9170.8000110.2V257 L258 C263 A264 T265V257-I261 HydrophobicContact CG1-CD1 3.8Å; V257-I261 HydrophobicContact CG1-CG1 4.34Å; V257-I261 WeakPolarHBondContact O-CB 3.45Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.3Å; V257-I261 PolarHBondContact O-N 2.92Å; L258-I261 PolarHBondContact O-N 3.44Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-A264 PolarHBondContact O-N 2.79Å; I261-T265 HydrophobicContact CG2-CG2 4.22Å; I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 VanDerWaalsContact O-CG2 3.3Å; I261-T265 WeakPolarHBondContact O-CG2 3.39Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.4Å; I261-T265 VanDerWaalsContact O-OG1 3.06Å
262C79.5Confident75.2Confident75 Ų7597.6 Ų97.651%0.50756%0.556SS.*Hα-helixtrans-61.7-40.4175.9-73.70000112.5L258 I259 T265 V266L258-C262 WeakPolarHBondContact O-CB 3.18Å; L258-C262 PolarHBondContact O-N 3.12Å; L258-C262 PolarHBondContact O-SG 3.19Å; I259-C262 PolarHBondContact O-N 3.36Å; C262-T265 WeakPolarHBondContact CA-OG1 3.18Å; C262-T265 PolarHBondContact O-OG1 3.35Å; C262-V266 WeakPolarHBondContact O-CB 3.33Å; C262-V266 WeakPolarHBondContact O-CG2 3.32Å; C262-V266 PolarHBondContact O-N 3.46Å
263C77.9Confident73.2Confident77 Ų77103 Ų10352%0.5257%0.571SS.*Hα-helixtrans-70.2-38.1176-71.30000111.9I259 W260 I261 V266 A267I259-C263 WeakPolarHBondContact O-CB 3.28Å; I259-C263 PolarHBondContact O-N 2.97Å; I259-C263 PolarHBondContact O-SG 3.28Å; I259-C263 VanDerWaalsContact O-SG 3.33Å; W260-C263 PolarHBondContact O-N 3.2Å; I261-C263 VanDerWaalsContact C-N 3.35Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-V266 PolarHBondContact O-N 3.49Å; C263-A267 VanDerWaalsContact O-CB 3.31Å; C263-A267 WeakPolarHBondContact O-CB 3.41Å; C263-A267 PolarHBondContact O-N 3.45Å
264A78.5Confident71.5Confident34 Ų34103.3 Ų103.328%0.28158%0.578SS.*Hα-helixtrans-67.2-41.1176.100000111.6W260 I261 A267 T268W260-A264 VanDerWaalsContact O-CB 3.26Å; W260-A264 WeakPolarHBondContact O-CB 3.22Å; W260-A264 PolarHBondContact O-N 2.77Å; I261-A264 PolarHBondContact O-N 2.79Å; A264-A267 PolarHBondContact O-N 2.83Å; A264-T268 WeakPolarHBondContact O-CB 3.17Å; A264-T268 WeakPolarHBondContact O-CG2 3.41Å; A264-T268 PolarHBondContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 2.95Å
265T74.3Confident69.6Low77 Ų77104.8 Ų104.847%0.47259%0.585SS.*Hα-helixtrans-68.2-36.6176.254.90000111.8I261 C262 T268 A269I261-T265 HydrophobicContact CG2-CG2 4.22Å; I261-T265 WeakPolarHBondContact O-CB 3.32Å; I261-T265 VanDerWaalsContact O-CG2 3.3Å; I261-T265 WeakPolarHBondContact O-CG2 3.39Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 PolarHBondContact O-OG1 3.4Å; I261-T265 VanDerWaalsContact O-OG1 3.06Å; C262-T265 WeakPolarHBondContact CA-OG1 3.18Å; C262-T265 PolarHBondContact O-OG1 3.35Å; T265-T268 PolarHBondContact O-N 2.89Å; T265-A269 WeakPolarHBondContact O-CA 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.12Å; T265-A269 PolarHBondContact O-N 3.19Å
266V72.1Confident67.5Low116 Ų116105.4 Ų105.470%0.70360%0.602SS**Hα-helixtrans-68.5-38.7173.8171.90000111.8C262 C263 T268C262-V266 WeakPolarHBondContact O-CB 3.33Å; C262-V266 WeakPolarHBondContact O-CG2 3.32Å; C262-V266 PolarHBondContact O-N 3.46Å; C263-V266 PolarHBondContact O-N 3.49Å; V266-T268 VanDerWaalsContact C-N 3.33Å
267A71.8Confident65.8Low86 Ų86108.9 Ų108.971%0.71162%0.616SS**Hα-helixtrans-76.1-19.1178.900000113.9C263 A264C263-A267 VanDerWaalsContact O-CB 3.31Å; C263-A267 WeakPolarHBondContact O-CB 3.41Å; C263-A267 PolarHBondContact O-N 3.45Å; A264-A267 PolarHBondContact O-N 2.83Å
268T63.5Low63.5Low107 Ų107112.3 Ų112.366%0.65663%0.625SS**Hα-helixtrans-112.1-6.3179.959.70000113.6A264 T265 V266 V270A264-T268 WeakPolarHBondContact O-CB 3.17Å; A264-T268 WeakPolarHBondContact O-CG2 3.41Å; A264-T268 PolarHBondContact O-N 3.09Å; A264-T268 PolarHBondContact O-OG1 2.95Å; T265-T268 PolarHBondContact O-N 2.89Å; V266-T268 VanDerWaalsContact C-N 3.33Å; T268-V270 PolarHBondContact O-N 3.27Å
269A47.3Very low62Low62 Ų62115.4 Ų115.451%0.51264%0.641SS.*SBendtrans-61.5107.5165.100000106.5T265 D271T265-A269 WeakPolarHBondContact O-CA 3.45Å; T265-A269 WeakPolarHBondContact O-CB 3.12Å; T265-A269 PolarHBondContact O-N 3.19Å; A269-D271 PolarHBondContact O-N 3.34Å; A269-D271 VanDerWaalsContact O-N 3.09Å
270V50.8Low60.3Low126 Ų126114.9 Ų114.976%0.76465%0.646SS**  trans-51.2120.3164.2-177.80000105.2T268 Q272T268-V270 PolarHBondContact O-N 3.27Å; V270-Q272 PolarHBondContact O-N 3.25Å
271D42.5Very low58.9Low144 Ų144114.3 Ų114.377%0.7765%0.654SS**  trans-53.292.1174.2-85.7-44.2000107.8A269 Y273A269-D271 PolarHBondContact O-N 3.34Å; A269-D271 VanDerWaalsContact O-N 3.09Å; D271-Y273 PolarHBondContact O-N 2.74Å
272Q47.8Very low57.3Low173 Ų173121.7 Ų121.781%0.80868%0.679SS**  trans-74.775.3162.9-73.2-169.9-42.100104.9V270 V274V270-Q272 PolarHBondContact O-N 3.25Å; Q272-V274 PolarHBondContact O-N 3.03Å
273Y44.2Very low56Low205 Ų205119.3 Ų119.380%0.80467%0.666SS**  trans-57.692.3151.5-116.4-90.8000104.9D271 P275D271-Y273 PolarHBondContact O-N 2.74Å; Y273-P275 VanDerWaalsContact C-CD 3.48Å; Y273-P275 WeakPolarHBondContact O-CD 3.28Å
274V47.1Very low54.8Low111 Ų111123 Ų12367%0.67368%0.681SS**  trans-8097.6156.4-178.10000102.9Q272 A276Q272-V274 PolarHBondContact O-N 3.03Å; V274-A276 PolarHBondContact O-N 3.02Å; V274-A276 VanDerWaalsContact O-N 3.13Å
275P47.7Very low53.8Low90 Ų90128.8 Ų128.858%0.58470%0.704SS**  trans-53.3126.8167.822.7-30.4000106Y273 E277Y273-P275 VanDerWaalsContact C-CD 3.48Å; Y273-P275 WeakPolarHBondContact O-CD 3.28Å; P275-E277 PolarHBondContact O-N 3.47Å
276A47.2Very low52.8Low93 Ų93132.2 Ų132.277%0.76972%0.715SS**  trans-48.9111.817800000107.5V274 K278V274-A276 PolarHBondContact O-N 3.02Å; V274-A276 VanDerWaalsContact O-N 3.13Å; A276-K278 PolarHBondContact O-N 3.05Å
277E48.9Very low51.8Low175 Ų175135.3 Ų135.382%0.81872%0.715SS**  trans-60.7101.1-176-172.3172.8168.400106.8P275 L279P275-E277 PolarHBondContact O-N 3.47Å; E277-L279 PolarHBondContact O-N 2.92Å
278K44Very low51.1Low149 Ų149134.3 Ų134.365%0.64871%0.707SS**  trans-63.6113171.4-67.3-155.3176-163.90105D74 A276 S280D74-K278 IonicContact OD1-NZ 3.56Å; D74-K278 IonicContact OD2-NZ 3.9Å; D74-K278 PolarHBondContact OD2-NZ 2.73Å; A276-K278 PolarHBondContact O-N 3.05Å; K278-S280 PolarHBondContact O-N 3.43Å
279L53.3Low50.5Low172 Ų172136.9 Ų136.990%0.90171%0.709SS**  trans-61.677.4163.6-85.1134000108.1E277 I281E277-L279 PolarHBondContact O-N 2.92Å; L279-I281 PolarHBondContact O-N 3.02Å
280S50.7Low50.7Low81 Ų81138.8 Ų138.857%0.56671%0.711SS**  trans-82.9103171.361.90000107.1K278 Y282K278-S280 PolarHBondContact O-N 3.43Å; S280-Y282 PolarHBondContact O-N 2.98Å
281I61.4Low50.6Low169 Ų169140.2 Ų140.287%0.86771%0.709SS**THydrogen-bonded Turntrans-61.6-0.6177.4-90.1170.1000113.2L279L279-I281 PolarHBondContact O-N 3.02Å
282Y53Low50.8Low234 Ų234142.4 Ų142.492%0.91871%0.712SS**THydrogen-bonded Turntrans-152.861.8176.5-144-94.5000112.1S280S280-Y282 PolarHBondContact O-N 2.98Å
283G52.8Low50.9Low24 Ų24140.9 Ų140.925%0.24771%0.708CS.*  trans-134.57.8-177.400000116.6M285 E286G283-M285 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact O-N 3.08Å; G283-E286 PolarHBondContact O-N 3.3Å
284D52.4Low50.8Low154 Ų154137.6 Ų137.682%0.82470%0.704SS**THydrogen-bonded Turntrans-69.4-9.7-168.1-162.729.2000114.9
285M56.4Low50.5Low156 Ų156138 Ų13877%0.76871%0.707SS**THydrogen-bonded Turntrans-100.2-12.8-177-75.9-59.1-41.900115.1G283G283-M285 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact O-N 3.08Å
286E53.7Low50.5Low150 Ų150139.6 Ų139.670%0.70172%0.717SS**THydrogen-bonded Turntrans-91.7-29.3-177.7-71.8-179.5158.400112.3G283 A288 K289 D290G283-E286 PolarHBondContact O-N 3.3Å; E286-A288 VanDerWaalsContact C-N 3.33Å; E286-A288 PolarHBondContact O-N 2.91Å; E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-D290 PolarHBondContact O-N 2.85Å
287Y51.7Low50Low180 Ų180145.8 Ų145.871%0.70672%0.722SS**Hα-helixtrans-64-34.8179.2-129.2-90.6000113.5K289 Q291Y287-K289 PolarHBondContact O-N 3.22Å; Y287-Q291 PolarHBondContact O-N 3.42Å
288A57.3Low49.8Very low66 Ų66142.5 Ų142.555%0.54572%0.716SS.*Hα-helixtrans-69.9-20.3178.700000113.4E286E286-A288 VanDerWaalsContact C-N 3.33Å; E286-A288 PolarHBondContact O-N 2.91Å
289K51.1Low50Low160 Ų160140.6 Ų140.670%0.69673%0.728SS**Hα-helixtrans-88.5-35.7-177.9-152.8175.8-174.5-178.80111.6E286 Y287E286-K289 PolarHBondContact O-N 3.3Å; E286-K289 VanDerWaalsContact O-N 3.14Å; Y287-K289 PolarHBondContact O-N 3.22Å
290D51.5Low49.9Very low102 Ų102137.7 Ų137.755%0.54572%0.722SS.*Hα-helixtrans-78.4-29.5178.9-69.8-18.8000112.6E286 K292 L293E286-D290 PolarHBondContact O-N 2.85Å; D290-K292 PolarHBondContact O-N 3.11Å; D290-K292 VanDerWaalsContact O-N 3.13Å; D290-L293 PolarHBondContact O-N 3.38Å
291Q48.3Very low49.7Very low156 Ų156139.4 Ų139.473%0.72973%0.734SS**THydrogen-bonded Turntrans-65.8-15.5175.4-160.2163.123.400113.6Y287Y287-Q291 PolarHBondContact O-N 3.42Å
292K46.7Very low48.8Very low190 Ų190138 Ų13883%0.82673%0.728SS**THydrogen-bonded Turntrans-89.8-8.7178.1-123.2176.4-175176.40114.2D290D290-K292 PolarHBondContact O-N 3.11Å; D290-K292 VanDerWaalsContact O-N 3.13Å
293L49.8Very low48.3Very low142 Ų142133.1 Ų133.174%0.74372%0.722SS**THydrogen-bonded Turntrans-118.3-6.3-171.5-80.5165.4000115.3D290D290-L293 PolarHBondContact O-N 3.38Å
294L42.5Very low48.1Very low135 Ų135137.4 Ų137.471%0.70774%0.738SS**SBendtrans-106.5101175.7-75.6124.5000111.5
295T40Very low47.6Very low120 Ų120137 Ų13774%0.73673%0.734SS**  trans23143.1148.247.50000121.6
296P48.2Very low46.9Very low123 Ų123135.1 Ų135.180%0.79973%0.732SS**PPolyproline II helixtrans-72.7134-160.931.7-35.1000113.3
297Y36.4Very low46.2Very low223 Ų223134.1 Ų134.188%0.87574%0.736SS**PPolyproline II helixtrans-59.1138.3166.8-84.6-93.9000111A299Y297-A299 PolarHBondContact O-N 3.05Å
298P44.9Very low45.9Very low106 Ų106131.6 Ų131.669%0.68875%0.745SS**PPolyproline II helixtrans-68.8128.8171.427.1-31.1000110.4S300P298-S300 PolarHBondContact O-N 2.9Å
299A48.3Very low44.9Very low110 Ų110131.5 Ų131.591%0.90975%0.75SS**SBendtrans-75.454.2-17100000114.3Y297Y297-A299 PolarHBondContact O-N 3.05Å
300S51.8Low44.2Very low111 Ų111133 Ų13378%0.77676%0.76SS**SBendtrans-122.19.9-174.762.60000116.9P298P298-S300 PolarHBondContact O-N 2.9Å
301S46.3Very low44Very low116 Ų116137.8 Ų137.881%0.81178%0.779SS**SBendtrans-140.15.3168.3740000116V303S301-V303 PolarHBondContact O-N 3.22Å
302L41.1Very low43.9Very low140 Ų140139 Ų13973%0.73378%0.784SS**  trans-94.993.1176.1-127.1154.1000109.2I304L302-I304 VanDerWaalsContact C-N 3.28Å; L302-I304 HydrophobicContact CB-CG1 4.46Å; L302-I304 HydrophobicContact CD2-CD1 4Å; L302-I304 HydrophobicContact CD2-CG1 3.33Å; L302-I304 HydrophobicContact CG-CG1 4.47Å; L302-I304 PolarHBondContact O-N 2.89Å
303V43.6Very low43.8Very low131 Ų131139.2 Ų139.279%0.79479%0.789SS**  trans-74.489.7165178.90000107.1S301 I305S301-V303 PolarHBondContact O-N 3.22Å; V303-I305 HydrophobicContact CG1-CG1 4.36Å; V303-I305 PolarHBondContact O-N 3.14Å
304I47.6Very low43.6Very low115 Ų115137.4 Ų137.459%0.5979%0.794SS**  trans-80.9111.6166.8-54.3173.7000106.2L302 T306L302-I304 VanDerWaalsContact C-N 3.28Å; L302-I304 HydrophobicContact CB-CG1 4.46Å; L302-I304 HydrophobicContact CD2-CD1 4Å; L302-I304 HydrophobicContact CD2-CG1 3.33Å; L302-I304 HydrophobicContact CG-CG1 4.47Å; L302-I304 PolarHBondContact O-N 2.89Å; I304-T306 HydrophobicContact CB-CG2 4.45Å; I304-T306 HydrophobicContact CG2-CG2 3.59Å; I304-T306 PolarHBondContact O-N 3.29Å
305I42.2Very low44.7Very low145 Ų145133.7 Ų133.774%0.74479%0.788SS**  trans-74.587.4167.1-56.8173.6000106.4V303 T307V303-I305 HydrophobicContact CG1-CG1 4.36Å; V303-I305 PolarHBondContact O-N 3.14Å; I305-T307 PolarHBondContact O-N 3.47Å
306T42.5Very low45.6Very low116 Ų116134.2 Ų134.271%0.71279%0.794SS**  trans-81.6102.9166.448.70000108I304 S308I304-T306 HydrophobicContact CB-CG2 4.45Å; I304-T306 HydrophobicContact CG2-CG2 3.59Å; I304-T306 PolarHBondContact O-N 3.29Å; T306-S308 PolarHBondContact O-N 3.41Å
307T37.6Very low46Very low129 Ų129136 Ų13679%0.79180%0.796SS**  trans-70.5110.8165.2-29.60000106.5I305 G309I305-T307 PolarHBondContact O-N 3.47Å; T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.1Å
308S45.7Very low47Very low128 Ų128131.2 Ų131.290%0.89579%0.792SS**  trans-69.291.1175.456.70000109.2T306T306-S308 PolarHBondContact O-N 3.41Å
309G37Very low47.9Very low64 Ų64131.2 Ų131.266%0.6679%0.794SS**  trans-131128169.900000107.8T307T307-G309 VanDerWaalsContact C-N 3.32Å; T307-G309 PolarHBondContact O-N 3.1Å
310Q36.6Very low48.1Very low192 Ų192135.7 Ų135.790%0.89779%0.793SS**  trans-50.8145.6-177.1-69.8171.8-79.200112.2E312Q310-E312 PolarHBondContact O-N 3.19Å
311E47.9Very low48.7Very low201 Ų201136.4 Ų136.494%0.93979%0.793SS**  trans-54.696.4169.1-63.6175.2161.800110.1
312E44.3Very low48.8Very low181 Ų181137.1 Ų137.185%0.84679%0.787SS**  trans-114.9121.2157-78-167.8161.400107.9Q310 A314Q310-E312 PolarHBondContact O-N 3.19Å; E312-A314 PolarHBondContact O-N 3.28Å
313E46.4Very low49.7Very low196 Ų196137.5 Ų137.592%0.91679%0.79SS**PPolyproline II helixtrans-49.2123.7178.6-67.6176.9146.800110.5G315E313-G315 PolarHBondContact O-N 3.46Å; E313-G315 VanDerWaalsContact O-N 3.14Å
314A44.5Very low50.2Low103 Ų103138.5 Ų138.585%0.85179%0.79SS**PPolyproline II helixtrans-62.4118.1173.300000109.3E312E312-A314 PolarHBondContact O-N 3.28Å
315G65Low50.7Low57 Ų57142 Ų14259%0.58880%0.804SS**PPolyproline II helixtrans-59157.1174.200000112.3E313 L317E313-G315 PolarHBondContact O-N 3.46Å; E313-G315 VanDerWaalsContact O-N 3.14Å; G315-L317 PolarHBondContact O-N 2.92Å
316P60.4Low51Low131 Ų131140 Ų14085%0.85180%0.803SS**PPolyproline II helixtrans-60.2139-171.423.8-32.9000111.9
317L55.7Low51.3Low161 Ų161142 Ų14284%0.84381%0.809SS**PPolyproline II helixtrans-57.1139.5178.6-77.391.3000110.8G315 S319G315-L317 PolarHBondContact O-N 2.92Å; L317-S319 PolarHBondContact O-N 2.96Å
318P57.6Low51.7Low123 Ų123147.1 Ų147.180%0.79983%0.829SS**PPolyproline II helixtrans-60.1139.3176.424.6-32.4000110.4K320P318-K320 PolarHBondContact O-N 3.15Å
319S63.3Low52Low105 Ų105148.1 Ų148.173%0.73483%0.826SS**PPolyproline II helixtrans-57.3131.3-179.9580000110.7L317 V321L317-S319 PolarHBondContact O-N 2.96Å; S319-V321 PolarHBondContact O-N 3.4Å; S319-V321 VanDerWaalsContact O-N 3.11Å
320K52.3Low52.8Low204 Ų204152.5 Ų152.589%0.88784%0.835SS**PPolyproline II helixtrans-50.4117.8176.4-72.9-170.1176.7-175.70110.4P318P318-K320 PolarHBondContact O-N 3.15Å
321V64.8Low53.7Low126 Ų126150.3 Ų150.376%0.76483%0.831SS**PPolyproline II helixtrans-77.4123.3167.8-176.90000107.2S319 L323S319-V321 PolarHBondContact O-N 3.4Å; S319-V321 VanDerWaalsContact O-N 3.11Å; V321-L323 PolarHBondContact O-N 2.87Å
322N48.1Very low54Low131 Ų131147.3 Ų147.370%0.70183%0.825SS**PPolyproline II helixtrans-69.2122172.7-81.9-73.8000109D324N322-D324 PolarHBondContact O-N 3.04Å
323L61Low54.7Low149 Ų149145.2 Ų145.278%0.7882%0.824SS**G310 helixtrans-73.4-3.1179.2-8796.8000113.9V321 Q325V321-L323 PolarHBondContact O-N 2.87Å; L323-Q325 PolarHBondContact O-N 3.37Å; L323-Q325 VanDerWaalsContact O-N 3.13Å
324D54.2Low55.2Low152 Ų152141.8 Ų141.881%0.81382%0.817SS**G310 helixtrans-80.912.4-177-57.8-35.3000113.9N322N322-D324 PolarHBondContact O-N 3.04Å
325Q58.4Low56Low188 Ų188144.6 Ų144.688%0.87982%0.815SS**G310 helixtrans-135.326.9-178.8-115.3176.417.600114.9L323L323-Q325 PolarHBondContact O-N 3.37Å; L323-Q325 VanDerWaalsContact O-N 3.13Å
326S48Very low55.3Low102 Ų102151.3 Ų151.371%0.71383%0.833SS**  trans-94.498.1161.357.40000110
327N48.2Very low54.8Low158 Ų158153 Ų15385%0.84583%0.831SS**  trans-88.6106.5159-159.3-10.7000106.6
328I46.5Very low54.8Low237 Ų237152.3 Ų152.3100%1.21583%0.83SS**  trans-155.30156.2-100.5150000107.8

Retrieved 328 of 328 residues in 126.6 ms (Link to these results)