A0A3Q0KG97_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KG97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M45.4Very low61.5Low190 Ų19091.8 Ų91.894%0.93650%0.5SS*.  091.90-76.9-169.8-161.400108.1
2T56.3Low62Low121 Ų12186.3 Ų86.374%0.74247%0.471SS*.  trans-136.7-39.6-15530.20000116.4
3L50.5Low62.4Low130 Ų13081.7 Ų81.768%0.68145%0.445SS*.SBendtrans-104.4-51.6-173.2-144.875.7000114.1R5 A6 D7L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.5Å; L3-R5 VanDerWaalsContact O-N 3.12Å; L3-A6 WeakPolarHBondContact O-CA 3.49Å; L3-A6 WeakPolarHBondContact O-CB 3.06Å; L3-A6 PolarHBondContact O-N 3.38Å; L3-D7 PolarHBondContact O-N 2.67Å; L3-D7 VanDerWaalsContact O-N 3.08Å
4A58Low62.8Low71 Ų7181.1 Ų81.159%0.58744%0.436SS*.Hα-helixtrans-58-34.1-174.600000113.9I8A4-I8 WeakPolarHBondContact O-CD1 3.13Å; A4-I8 WeakPolarHBondContact O-CG1 3.26Å; A4-I8 PolarHBondContact O-N 3.17Å; A4-I8 VanDerWaalsContact O-N 3.13Å
5R62.8Low63.1Low141 Ų14183.4 Ų83.453%0.53244%0.443SS..Hα-helixtrans-69-41.9174-79.9-171.7177.5174.4-0.7112L3 D7 I8 Y9L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.5Å; L3-R5 VanDerWaalsContact O-N 3.12Å; R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.11Å; R5-I8 PolarHBondContact O-N 2.98Å; R5-Y9 HydrophobicContact CB-CD2 4.27Å; R5-Y9 HydrophobicContact CB-CE2 3.87Å; R5-Y9 WeakPolarHBondContact O-CD2 3.43Å; R5-Y9 PolarHBondContact O-N 3.27Å
6A63.5Low63.1Low25 Ų2579.8 Ų79.821%0.20742%0.424CS..Hα-helixtrans-62.6-38.8178.500000111.5L3 Y9 S10 I40L3-A6 WeakPolarHBondContact O-CA 3.49Å; L3-A6 WeakPolarHBondContact O-CB 3.06Å; L3-A6 PolarHBondContact O-N 3.38Å; A6-Y9 PolarHBondContact O-N 2.66Å; A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 3.37Å; A6-I40 WeakPolarHBondContact O-CD1 3.46Å
7D67.3Low62.9Low98 Ų9877.2 Ų77.252%0.52441%0.412SS..Hα-helixtrans-65.4-43.2175-65.5-36000112L3 R5 Y9 S10 S11L3-D7 PolarHBondContact O-N 2.67Å; L3-D7 VanDerWaalsContact O-N 3.08Å; R5-D7 VanDerWaalsContact C-N 3.3Å; R5-D7 PolarHBondContact O-N 3.11Å; D7-Y9 PolarHBondContact O-N 2.95Å; D7-S10 PolarHBondContact O-N 2.93Å; D7-S11 WeakPolarHBondContact O-CB 3.29Å; D7-S11 PolarHBondContact O-N 2.61Å
8I68.4Low62.9Low97 Ų9779.8 Ų79.850%0.49742%0.419SS..Hα-helixtrans-59.8-46.3174.3-69.2163.4000110.6A4 R5 S11 T12A4-I8 WeakPolarHBondContact O-CD1 3.13Å; A4-I8 WeakPolarHBondContact O-CG1 3.26Å; A4-I8 PolarHBondContact O-N 3.17Å; A4-I8 VanDerWaalsContact O-N 3.13Å; R5-I8 PolarHBondContact O-N 2.98Å; I8-S11 PolarHBondContact O-N 3.06Å; I8-T12 WeakPolarHBondContact O-CB 3Å; I8-T12 PolarHBondContact O-N 3.35Å; I8-T12 PolarHBondContact O-OG1 2.89Å
9Y68.1Low62.6Low55 Ų5580.5 Ų80.522%0.21642%0.422CS..Hα-helixtrans-64.4-41.5176.9-66.2-56.2000111.3R5 A6 D7 S11 T12 I13 L42 I51 I89R5-Y9 HydrophobicContact CB-CD2 4.27Å; R5-Y9 HydrophobicContact CB-CE2 3.87Å; R5-Y9 WeakPolarHBondContact O-CD2 3.43Å; R5-Y9 PolarHBondContact O-N 3.27Å; A6-Y9 PolarHBondContact O-N 2.66Å; D7-Y9 PolarHBondContact O-N 2.95Å; Y9-S11 PolarHBondContact O-N 2.99Å; Y9-T12 PolarHBondContact O-N 3.41Å; Y9-I13 VanDerWaalsContact O-CB 3.32Å; Y9-I13 WeakPolarHBondContact O-CB 3.13Å; Y9-I13 VanDerWaalsContact O-CD1 3.26Å; Y9-I13 WeakPolarHBondContact O-CD1 2.97Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 2.9Å; Y9-L42 HydrophobicContact CD2-CD2 4.29Å; Y9-L42 HydrophobicContact CE2-CD2 4.31Å; Y9-I51 HydrophobicContact CD1-CD1 3.34Å; Y9-I51 HydrophobicContact CD2-CD1 3.43Å; Y9-I51 VanDerWaalsContact CD2-CD1 3.43Å; Y9-I51 HydrophobicContact CE1-CD1 3.22Å; Y9-I51 HydrophobicContact CE2-CD1 3.31Å; Y9-I51 HydrophobicContact CG-CD1 3.47Å; Y9-I51 VanDerWaalsContact CG-CD1 3.47Å; Y9-I89 HydrophobicContact CD1-CD1 3.84Å; Y9-I89 HydrophobicContact CE1-CD1 4.18Å
10S67.1Low62.2Low19 Ų1977 Ų7713%0.13341%0.405CS..Hα-helixtrans-60.8-46176.1-164.40000111.9A6 D7 I13 K14 I40A6-S10 WeakPolarHBondContact O-CB 3.41Å; A6-S10 PolarHBondContact O-N 3.37Å; D7-S10 PolarHBondContact O-N 2.93Å; S10-I13 PolarHBondContact O-N 2.82Å; S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 VanDerWaalsContact O-CG 3.25Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 2.84Å; S10-I40 VanDerWaalsContact CA-CD1 3.44Å
11S68.9Low61.7Low63 Ų6374 Ų7444%0.44139%0.389SS..Hα-helixtrans-62.4-46.7176.7-165.40000111D7 I8 Y9 I13 K14 E15D7-S11 WeakPolarHBondContact O-CB 3.29Å; D7-S11 PolarHBondContact O-N 2.61Å; I8-S11 PolarHBondContact O-N 3.06Å; Y9-S11 PolarHBondContact O-N 2.99Å; S11-I13 PolarHBondContact O-N 2.91Å; S11-K14 PolarHBondContact O-N 3.38Å; S11-E15 WeakPolarHBondContact O-CG 3.36Å; S11-E15 PolarHBondContact O-N 2.81Å
12T67.7Low62Low25 Ų2571.7 Ų71.715%0.15338%0.375CS..Hα-helixtrans-62-44.8179.1-50.30000110.9I8 Y9 E15 L16 F88 I89I8-T12 WeakPolarHBondContact O-CB 3Å; I8-T12 PolarHBondContact O-N 3.35Å; I8-T12 PolarHBondContact O-OG1 2.89Å; Y9-T12 PolarHBondContact O-N 3.41Å; T12-E15 PolarHBondContact O-N 3.37Å; T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.46Å; T12-L16 WeakPolarHBondContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CD1 3.13Å; T12-L16 WeakPolarHBondContact O-CG 3.14Å; T12-L16 PolarHBondContact O-N 3.43Å; T12-F88 HydrophobicContact CG2-CE1 4.31Å; T12-F88 HydrophobicContact CG2-CZ 4.39Å; T12-I89 HydrophobicContact CG2-CD1 3.61Å
13I67.7Low61.8Low27 Ų2766.1 Ų66.114%0.13834%0.341CS..Hα-helixtrans-64-42.9176.9-68.8157.8000110.7Y9 S10 S11 L16 V17 I40 A53 L55Y9-I13 VanDerWaalsContact O-CB 3.32Å; Y9-I13 WeakPolarHBondContact O-CB 3.13Å; Y9-I13 VanDerWaalsContact O-CD1 3.26Å; Y9-I13 WeakPolarHBondContact O-CD1 2.97Å; Y9-I13 WeakPolarHBondContact O-CG1 3.14Å; Y9-I13 PolarHBondContact O-N 2.9Å; S10-I13 PolarHBondContact O-N 2.82Å; S11-I13 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 2.74Å; I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 VanDerWaalsContact O-CG2 3.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.59Å; I13-I40 HydrophobicContact CD1-CD1 4.12Å; I13-I40 HydrophobicContact CD1-CG1 4.32Å; I13-A53 HydrophobicContact CD1-CB 3.32Å; I13-A53 HydrophobicContact CG1-CB 4.36Å; I13-L55 HydrophobicContact CG2-CB 4.41Å; I13-L55 HydrophobicContact CG2-CD2 4.35Å
14K67.3Low61.7Low74 Ų7462.1 Ų62.132%0.32233%0.332SS..Hα-helixtrans-64.3-41.6176.6-76.5177.7-175.9-177.70112S10 S11 V17 K18 L55S10-K14 WeakPolarHBondContact O-CB 3.29Å; S10-K14 VanDerWaalsContact O-CG 3.25Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 2.84Å; S11-K14 PolarHBondContact O-N 3.38Å; K14-V17 PolarHBondContact O-N 3.42Å; K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.25Å; K14-K18 VanDerWaalsContact O-CG 3.29Å; K14-K18 WeakPolarHBondContact O-CG 3.4Å; K14-K18 PolarHBondContact O-N 2.94Å; K14-L55 HydrophobicContact CG-CD1 4.43Å
15E66.9Low61Low115 Ų11559.3 Ų59.354%0.53731%0.308SS..Hα-helixtrans-63.2-46.9174.1-77.6-169.8162.600111.2S11 T12 V17 K18 I19S11-E15 WeakPolarHBondContact O-CG 3.36Å; S11-E15 PolarHBondContact O-N 2.81Å; T12-E15 PolarHBondContact O-N 3.37Å; E15-V17 VanDerWaalsContact C-N 3.26Å; E15-V17 PolarHBondContact O-N 3.35Å; E15-K18 PolarHBondContact O-N 3.27Å; E15-I19 VanDerWaalsContact O-CG1 3.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.09Å
16L63.2Low60.3Low26 Ų2655.4 Ų55.414%0.13630%0.297CS..Hα-helixtrans-54.9-44.7175.3-75166000111.4T12 I13 A20 Y83 I91T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.46Å; T12-L16 WeakPolarHBondContact O-CB 3.29Å; T12-L16 WeakPolarHBondContact O-CD1 3.13Å; T12-L16 WeakPolarHBondContact O-CG 3.14Å; T12-L16 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 2.74Å; L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.16Å; L16-A20 PolarHBondContact O-N 3.02Å; L16-Y83 HydrophobicContact CD2-CD1 3.79Å; L16-Y83 HydrophobicContact CD2-CG 3.73Å; L16-I91 HydrophobicContact CD1-CD1 4.18Å
17V60.6Low59.7Low36 Ų3658.9 Ų58.922%0.21834%0.336CS..Hα-helixtrans-71.2-46.6178.4-177.30000110.1I13 K14 E15 I19 A20 I21 F35 L55 V57I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 VanDerWaalsContact O-CG2 3.27Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.59Å; K14-V17 PolarHBondContact O-N 3.42Å; E15-V17 VanDerWaalsContact C-N 3.26Å; E15-V17 PolarHBondContact O-N 3.35Å; V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 PolarHBondContact O-N 2.87Å; V17-A20 CarbonylContact O-C 3.6Å; V17-A20 WeakPolarHBondContact O-CA 3.17Å; V17-A20 WeakPolarHBondContact O-CB 2.82Å; V17-A20 PolarHBondContact O-N 3.03Å; V17-I21 HydrophobicContact CB-CD1 4.4Å; V17-I21 HydrophobicContact CG1-CD1 3.44Å; V17-I21 VanDerWaalsContact CG1-CD1 3.44Å; V17-I21 HydrophobicContact CG1-CG1 4.08Å; V17-I21 WeakPolarHBondContact O-CB 3.22Å; V17-I21 WeakPolarHBondContact O-CD1 3.43Å; V17-I21 WeakPolarHBondContact O-CG1 3.38Å; V17-I21 PolarHBondContact O-N 3.22Å; V17-F35 HydrophobicContact CB-CE1 4.23Å; V17-F35 HydrophobicContact CG1-CE1 3.96Å; V17-L55 HydrophobicContact CB-CD2 3.6Å; V17-L55 HydrophobicContact CG1-CD2 3.8Å; V17-L55 HydrophobicContact CG2-CD2 3.54Å; V17-V57 HydrophobicContact CG1-CG2 3.83Å
18K62.1Low58.8Low124 Ų12456 Ų5654%0.53933%0.329SS..Hα-helixtrans-51.7-42.6175.3-83.1-179.9177.5-173.10113.2K14 E15 I21 F35K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.25Å; K14-K18 VanDerWaalsContact O-CG 3.29Å; K14-K18 WeakPolarHBondContact O-CG 3.4Å; K14-K18 PolarHBondContact O-N 2.94Å; E15-K18 PolarHBondContact O-N 3.27Å; K18-I21 WeakPolarHBondContact O-CB 3.42Å; K18-I21 PolarHBondContact O-N 2.7Å; K18-F35 HydrophobicContact CB-CZ 4.18Å; K18-F35 HydrophobicContact CD-CE2 4.41Å; K18-F35 HydrophobicContact CD-CZ 4.34Å; K18-F35 HydrophobicContact CG-CE1 3.94Å; K18-F35 HydrophobicContact CG-CE2 3.66Å; K18-F35 HydrophobicContact CG-CZ 3.2Å
19I58.2Low58.4Low93 Ų9358.2 Ų58.248%0.47734%0.341SS..Hα-helixtrans-81.6-26.7-179-42.9153.1000111.5E15 V17 I21 Y83E15-I19 VanDerWaalsContact O-CG1 3.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.09Å; V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 PolarHBondContact O-N 2.87Å; I19-I21 PolarHBondContact O-N 2.96Å; I19-Y83 HydrophobicContact CB-CE2 4.06Å; I19-Y83 WeakPolarHBondContact CB-OH 3.49Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE2 4.2Å; I19-Y83 WeakPolarHBondContact CG2-OH 3.45Å
20A54Low58.2Low9 Ų956.9 Ų56.97%0.07434%0.34CS..Hα-helixtrans-67.2-19.8167.400000112.6L16 V17 H22 L76 N79L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.16Å; L16-A20 PolarHBondContact O-N 3.02Å; V17-A20 CarbonylContact O-C 3.6Å; V17-A20 WeakPolarHBondContact O-CA 3.17Å; V17-A20 WeakPolarHBondContact O-CB 2.82Å; V17-A20 PolarHBondContact O-N 3.03Å; A20-H22 PolarHBondContact O-N 2.89Å; A20-L76 HydrophobicContact CB-CD2 3.99Å; A20-N79 HydrophobicContact CB-CB 3.85Å; A20-N79 PolarHBondContact O-ND2 3.36Å; A20-N79 VanDerWaalsContact O-ND2 3.09Å
21I52.6Low58.1Low16 Ų1658.6 Ų58.68%0.08236%0.361CS..  trans-87.889.4-178.7-66.7160.1000110.2V17 K18 I19 P23 V33 F35 V57 F59V17-I21 HydrophobicContact CB-CD1 4.4Å; V17-I21 HydrophobicContact CG1-CD1 3.44Å; V17-I21 VanDerWaalsContact CG1-CD1 3.44Å; V17-I21 HydrophobicContact CG1-CG1 4.08Å; V17-I21 WeakPolarHBondContact O-CB 3.22Å; V17-I21 WeakPolarHBondContact O-CD1 3.43Å; V17-I21 WeakPolarHBondContact O-CG1 3.38Å; V17-I21 PolarHBondContact O-N 3.22Å; K18-I21 WeakPolarHBondContact O-CB 3.42Å; K18-I21 PolarHBondContact O-N 2.7Å; I19-I21 PolarHBondContact O-N 2.96Å; I21-P23 VanDerWaalsContact CG2-CD 3.46Å; I21-P23 HydrophobicContact CG2-CG 4.26Å; I21-V33 HydrophobicContact CD1-CG1 3.75Å; I21-V33 HydrophobicContact CG2-CB 4.46Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å; I21-V33 HydrophobicContact CG2-CG2 3.51Å; I21-F35 HydrophobicContact CD1-CE1 3.63Å; I21-F35 HydrophobicContact CD1-CZ 3.43Å; I21-F35 VanDerWaalsContact CD1-CZ 3.43Å; I21-V57 HydrophobicContact CD1-CG1 4.22Å; I21-F59 HydrophobicContact CB-CE1 4.25Å; I21-F59 HydrophobicContact CD1-CE1 3.81Å; I21-F59 HydrophobicContact CD1-CZ 4Å; I21-F59 HydrophobicContact CG1-CE1 3.59Å; I21-F59 HydrophobicContact CG1-CZ 3.75Å; I21-F59 HydrophobicContact CG2-CD1 4.3Å; I21-F59 HydrophobicContact CG2-CE1 3.59Å
22H51Low58.4Low140 Ų14061 Ų6165%0.64837%0.365SS*.  trans-131.973.9137.6-115.4-85.6000106.6A20 G24A20-H22 PolarHBondContact O-N 2.89Å; H22-G24 VanDerWaalsContact C-N 3.26Å; H22-G24 PolarHBondContact O-N 2.91Å
23P52.6Low58.7Low4 Ų461.8 Ų61.83%0.02637%0.369CS..  trans-74.294.4-18032.8-34.4000107I21 S25 C30 F59 Y61 I72I21-P23 VanDerWaalsContact CG2-CD 3.46Å; I21-P23 HydrophobicContact CG2-CG 4.26Å; P23-S25 PolarHBondContact O-N 3.29Å; P23-C30 HydrophobicContact CG-CB 4.22Å; P23-F59 HydrophobicContact CG-CD1 3.71Å; P23-F59 HydrophobicContact CG-CE1 3.87Å; P23-F59 HydrophobicContact CG-CG 4.26Å; P23-F59 HydrophobicContact CG-CZ 4.49Å; P23-Y61 VanDerWaalsContact CB-OH 3.25Å; P23-Y61 WeakPolarHBondContact CB-OH 3Å; P23-Y61 VanDerWaalsContact CG-OH 3.29Å; P23-Y61 WeakPolarHBondContact CG-OH 3.45Å; P23-Y61 PolarHBondContact O-OH 3.27Å; P23-I72 HydrophobicContact CB-CB 4.41Å; P23-I72 HydrophobicContact CB-CG1 4.02Å; P23-I72 HydrophobicContact CB-CG2 3.82Å
24G47Very low59.3Low47 Ų4763.6 Ų63.649%0.48538%0.379SS..  trans-68.9121.1166.800000107.8H22H22-G24 VanDerWaalsContact C-N 3.26Å; H22-G24 PolarHBondContact O-N 2.91Å
25S44.7Very low59.8Low11 Ų1162.6 Ų62.68%0.07737%0.374CS..  trans-143.5111.4161.9-1610000109.1P23 K66 L67 N68P23-S25 PolarHBondContact O-N 3.29Å; S25-K66 CarbonylContact C-O 3.52Å; S25-K66 PolarHBondContact OG-O 3.09Å; S25-L67 WeakPolarHBondContact OG-CA 3.45Å; S25-N68 PolarHBondContact OG-N 3.1Å
26D46.9Very low60.3Low59 Ų5959.5 Ų59.532%0.31636%0.363SS..SBendtrans65.468.6178178.332.8000119.2G28 K66D26-G28 WeakPolarHBondContact O-CA 3.44Å; D26-G28 PolarHBondContact O-N 3.09Å; D26-K66 HydrophobicContact CB-CB 3.08Å; D26-K66 HydrophobicContact CB-CD 3.95Å; D26-K66 HydrophobicContact CB-CG 3.97Å; D26-K66 VanDerWaalsContact CB-O 3.29Å; D26-K66 WeakPolarHBondContact CB-O 3.25Å; D26-K66 VanDerWaalsContact CG-CE 3.47Å; D26-K66 VanDerWaalsContact OD1-CD 3.26Å; D26-K66 WeakPolarHBondContact OD1-CD 3.49Å; D26-K66 WeakPolarHBondContact OD1-CE 3.34Å; D26-K66 IonicContact OD1-NZ 2.61Å; D26-K66 PolarHBondContact OD1-NZ 3.45Å; D26-K66 WeakPolarHBondContact OD2-CB 3.36Å; D26-K66 WeakPolarHBondContact OD2-CD 3.36Å; D26-K66 WeakPolarHBondContact OD2-CE 3.01Å; D26-K66 WeakPolarHBondContact OD2-CG 3.43Å; D26-K66 IonicContact OD2-NZ 2.82Å; D26-K66 PolarHBondContact OD2-NZ 2.94Å
27G52.4Low60.9Low99 Ų9966.9 Ų66.9100%1.02139%0.394SS*.SBendtrans58.15.1168.500000115.1
28G47.7Very low61.5Low36 Ų3665.6 Ų65.637%0.37139%0.387SS..  trans-132.8121.5-162.100000107.8D26D26-G28 WeakPolarHBondContact O-CA 3.44Å; D26-G28 PolarHBondContact O-N 3.09Å
29L59.3Low62.1Low144 Ų14464.7 Ų64.775%0.75439%0.387SS*.  trans-58.4138.8-179-61.1159.3000108.7G31L29-G31 PolarHBondContact O-N 3.22Å
30C63.8Low62.8Low28 Ų2862.1 Ų62.119%0.18937%0.374CS..  trans-54.3119.2161.8179.10000107P23 V33 Y61P23-C30 HydrophobicContact CG-CB 4.22Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; C30-Y61 HydrophobicContact CB-CE1 4.23Å
31G66.2Low63.8Low55 Ų5565.9 Ų65.957%0.56739%0.392SS*.  trans-71.6-51.4-173.900000110.5L29 L60L29-G31 PolarHBondContact O-N 3.22Å; G31-L60 PolarHBondContact N-O 3.2Å
32E75.4Confident64.6Low113 Ų11369.6 Ų69.653%0.52841%0.411SS..EExtended strand (participates in β ladder)trans-143.7146.2178.8-174.5177.7-174.500111.5I34 L60E32-I34 HydrophobicContact CG-CG1 4.16Å; E32-L60 HydrophobicContact CB-CB 4.24Å; E32-L60 HydrophobicContact CB-CD1 4.17Å; E32-L60 PolarHBondContact N-O 3.37Å; E32-L60 PolarHBondContact O-N 3.25Å
33V74.1Confident65.5Low41 Ų4166 Ų6625%0.24840%0.4CS..EExtended strand (participates in β ladder)trans-119.2113.1176.3-176.50000108.3I21 C30 F35 V57 F59I21-V33 HydrophobicContact CD1-CG1 3.75Å; I21-V33 HydrophobicContact CG2-CB 4.46Å; I21-V33 HydrophobicContact CG2-CG1 4.19Å; I21-V33 HydrophobicContact CG2-CG2 3.51Å; C30-V33 VanDerWaalsContact SG-CG2 3.58Å; V33-F35 HydrophobicContact CB-CE2 4.13Å; V33-F35 HydrophobicContact CG1-CD2 4.09Å; V33-F35 HydrophobicContact CG1-CE1 4.34Å; V33-F35 HydrophobicContact CG1-CE2 3.46Å; V33-F35 VanDerWaalsContact CG1-CE2 3.46Å; V33-F35 HydrophobicContact CG1-CZ 3.6Å; V33-V57 HydrophobicContact CG1-CG1 3.7Å; V33-F59 HydrophobicContact CG1-CD1 4.21Å; V33-F59 HydrophobicContact CG1-CE1 3.89Å; V33-F59 HydrophobicContact CG2-CD1 4.12Å; V33-F59 HydrophobicContact CG2-CE1 4.27Å
34I79.7Confident65.7Low65 Ų6568.6 Ų68.633%0.33343%0.427SS..EExtended strand (participates in β ladder)trans-100113.7177.8-55.3173.7000108.7E32 K58 L60E32-I34 HydrophobicContact CG-CG1 4.16Å; I34-K58 HydrophobicContact CB-CB 4.26Å; I34-K58 PolarHBondContact N-O 3.25Å; I34-K58 PolarHBondContact O-N 2.9Å; I34-L60 HydrophobicContact CD1-CD1 3.78Å; I34-L60 HydrophobicContact CD1-CG 4.46Å; I34-L60 HydrophobicContact CG1-CD1 4.45Å
35F77.9Confident66Low53 Ų5369.2 Ų69.223%0.23243%0.433CS..EExtended strand (participates in β ladder)trans-87.6121171.3-63.7-89.1000109.5V17 K18 I21 V33 L55 V57V17-F35 HydrophobicContact CB-CE1 4.23Å; V17-F35 HydrophobicContact CG1-CE1 3.96Å; K18-F35 HydrophobicContact CB-CZ 4.18Å; K18-F35 HydrophobicContact CD-CE2 4.41Å; K18-F35 HydrophobicContact CD-CZ 4.34Å; K18-F35 HydrophobicContact CG-CE1 3.94Å; K18-F35 HydrophobicContact CG-CE2 3.66Å; K18-F35 HydrophobicContact CG-CZ 3.2Å; I21-F35 HydrophobicContact CD1-CE1 3.63Å; I21-F35 HydrophobicContact CD1-CZ 3.43Å; I21-F35 VanDerWaalsContact CD1-CZ 3.43Å; V33-F35 HydrophobicContact CB-CE2 4.13Å; V33-F35 HydrophobicContact CG1-CD2 4.09Å; V33-F35 HydrophobicContact CG1-CE1 4.34Å; V33-F35 HydrophobicContact CG1-CE2 3.46Å; V33-F35 VanDerWaalsContact CG1-CE2 3.46Å; V33-F35 HydrophobicContact CG1-CZ 3.6Å; F35-L55 HydrophobicContact CD1-CD2 3.97Å; F35-L55 HydrophobicContact CE1-CD2 4.32Å; F35-V57 HydrophobicContact CD1-CG2 4.1Å; F35-V57 HydrophobicContact CE1-CG2 4.32Å
36T77.9Confident66.5Low50 Ų5072 Ų7231%0.30746%0.464SS..PPolyproline II helixtrans-8317216669.80000110.1A38 L55 P56T36-A38 PolarHBondContact O-N 2.82Å; T36-L55 WeakPolarHBondContact O-CD1 3.13Å; T36-P56 HydrophobicContact CG2-CB 4.39Å; T36-P56 PolarHBondContact N-O 3.38Å; T36-P56 VanDerWaalsContact N-O 3.09Å; T36-P56 WeakPolarHBondContact OG1-CB 3.32Å; T36-P56 WeakPolarHBondContact OG1-CD 3.2Å; T36-P56 WeakPolarHBondContact OG1-CG 3.34Å; T36-P56 PolarHBondContact OG1-O 3.19Å
37K74.2Confident67Low182 Ų18277.6 Ų77.679%0.79149%0.493SS*.PPolyproline II helixtrans-62.9125.8178.4-174.3176.2179179.20109.7I39K37-I39 PolarHBondContact O-N 2.77Å
38A73.2Confident67.2Low8 Ų879.7 Ų79.77%0.06648%0.48CS..PPolyproline II helixtrans-62.7131.1171.700000109.8T36 I40 A54 L55T36-A38 PolarHBondContact O-N 2.82Å; A38-I40 HydrophobicContact CB-CD1 4.31Å; A38-I40 HydrophobicContact CB-CG1 4.09Å; A38-A54 CarbonylContact C-O 3.57Å; A38-A54 WeakPolarHBondContact CA-O 3.44Å; A38-L55 HydrophobicContact CB-CD1 3.81Å
39I75Confident68.2Low105 Ų10587.7 Ų87.754%0.53850%0.5SS..EExtended strand (participates in β ladder)trans-89116.2167.5-57172.9000106.2K37 I41 A53 A54K37-I39 PolarHBondContact O-N 2.77Å; I39-I41 HydrophobicContact CG2-CG1 4.45Å; I39-A53 CarbonylContact O-C 3.52Å; I39-A53 VanDerWaalsContact O-CA 3.23Å; I39-A53 WeakPolarHBondContact O-CA 3.35Å; I39-A54 HydrophobicContact CB-CB 4.38Å; I39-A54 PolarHBondContact N-O 3.44Å; I39-A54 PolarHBondContact O-N 2.83Å
40I72.4Confident68.7Low40 Ų4082 Ų8221%0.20548%0.476CS..EExtended strand (participates in β ladder)trans-118.9118.1-178.2-57.4175.8000108A6 S10 I13 A38 I51 A53A6-I40 WeakPolarHBondContact O-CD1 3.46Å; S10-I40 VanDerWaalsContact CA-CD1 3.44Å; I13-I40 HydrophobicContact CD1-CD1 4.12Å; I13-I40 HydrophobicContact CD1-CG1 4.32Å; A38-I40 HydrophobicContact CB-CD1 4.31Å; A38-I40 HydrophobicContact CB-CG1 4.09Å; I40-I51 HydrophobicContact CG2-CG2 3.54Å; I40-A53 HydrophobicContact CG1-CB 4.26Å
41I75.4Confident69Low88 Ų8883.6 Ų83.645%0.45148%0.482SS..EExtended strand (participates in β ladder)trans-108.4115.8174.7-56.5174.3000106.7I39 T43 Q52I39-I41 HydrophobicContact CG2-CG1 4.45Å; I41-T43 HydrophobicContact CG2-CG2 4.19Å; I41-T43 PolarHBondContact O-N 3.3Å; I41-Q52 HydrophobicContact CB-CB 4.37Å; I41-Q52 PolarHBondContact N-O 3.4Å; I41-Q52 PolarHBondContact O-N 3.49Å
42L69.3Low69.4Low93 Ų9386.9 Ų86.949%0.48748%0.483SS..EExtended strand (participates in β ladder)trans-77.4114.8168.2-61176.9000107.3Y9 I51Y9-L42 HydrophobicContact CD2-CD2 4.29Å; Y9-L42 HydrophobicContact CE2-CD2 4.31Å; L42-I51 HydrophobicContact CD2-CD1 4.05Å; L42-I51 HydrophobicContact CD2-CG1 3.8Å; L42-I51 HydrophobicContact CD2-CG2 4.36Å
43T70.2Confident69.2Low66 Ų6683.6 Ų83.641%0.40548%0.475SS..EExtended strand (participates in β ladder)trans-95.2121.5170.553.20000107.8I41 G50I41-T43 HydrophobicContact CG2-CG2 4.19Å; I41-T43 PolarHBondContact O-N 3.3Å; T43-G50 PolarHBondContact N-O 2.85Å; T43-G50 PolarHBondContact O-N 3.24Å; T43-G50 VanDerWaalsContact OG1-C 3.29Å; T43-G50 WeakPolarHBondContact OG1-CA 3.15Å; T43-G50 PolarHBondContact OG1-O 3.45Å
44G57.2Low69.3Low58 Ų5884.1 Ų84.160%0.59848%0.484SS*.EExtended strand (participates in β ladder)trans-134.7120.8178.200000109.5
45G52.9Low69.2Low59 Ų5982.7 Ų82.761%0.60848%0.476SS*.EExtended strand (participates in β ladder)trans-156.7112.5172.600000109.9L48G45-L48 PolarHBondContact N-O 2.9Å
46G56.3Low69.3Low70 Ų7083.2 Ų83.272%0.72249%0.485SS*.THydrogen-bonded Turntrans68.2-131.6-179.700000113.6L48G46-L48 VanDerWaalsContact C-N 3.31Å; G46-L48 PolarHBondContact O-N 3.41Å
47L55.8Low69.2Low176 Ų17682.6 Ų82.692%0.92148%0.481SS*.THydrogen-bonded Turntrans-80-7.5-176.4-72.4164.3000114.1
48L57.7Low69.5Low143 Ų14380.4 Ų80.475%0.74947%0.472SS*.EExtended strand (participates in β ladder)trans-112110.1-175-62.4176000109.9G45 G46G45-L48 PolarHBondContact N-O 2.9Å; G46-L48 VanDerWaalsContact C-N 3.31Å; G46-L48 PolarHBondContact O-N 3.41Å
49Y67.8Low69.6Low204 Ų20482.6 Ų82.680%0.848%0.48SS*.EExtended strand (participates in β ladder)trans-95.3121.1164.1-65.6-79.5000108.2
50G70.1Confident69.6Low25 Ų2580.5 Ų80.526%0.25847%0.469SS..EExtended strand (participates in β ladder)trans-119.4160.9176.100000111.1T43T43-G50 PolarHBondContact N-O 2.85Å; T43-G50 PolarHBondContact O-N 3.24Å; T43-G50 VanDerWaalsContact OG1-C 3.29Å; T43-G50 WeakPolarHBondContact OG1-CA 3.15Å; T43-G50 PolarHBondContact OG1-O 3.45Å
51I71Confident69.7Low61 Ų6180.8 Ų80.831%0.31347%0.468SS..EExtended strand (participates in β ladder)trans-130.3116.4173.7-54.5-179.4000106.2Y9 I40 L42Y9-I51 HydrophobicContact CD1-CD1 3.34Å; Y9-I51 HydrophobicContact CD2-CD1 3.43Å; Y9-I51 VanDerWaalsContact CD2-CD1 3.43Å; Y9-I51 HydrophobicContact CE1-CD1 3.22Å; Y9-I51 HydrophobicContact CE2-CD1 3.31Å; Y9-I51 HydrophobicContact CG-CD1 3.47Å; Y9-I51 VanDerWaalsContact CG-CD1 3.47Å; I40-I51 HydrophobicContact CG2-CG2 3.54Å; L42-I51 HydrophobicContact CD2-CD1 4.05Å; L42-I51 HydrophobicContact CD2-CG1 3.8Å; L42-I51 HydrophobicContact CD2-CG2 4.36Å
52Q73.8Confident69.4Low125 Ų12582.5 Ų82.558%0.58449%0.488SS*.EExtended strand (participates in β ladder)trans-95.1124.8166.7-178.1173.6-700107.6I41I41-Q52 HydrophobicContact CB-CB 4.37Å; I41-Q52 PolarHBondContact N-O 3.4Å; I41-Q52 PolarHBondContact O-N 3.49Å
53A71.9Confident69.3Low43 Ų4382.5 Ų82.536%0.35549%0.489SS..EExtended strand (participates in β ladder)trans-125.9136.7175.100000110.9I13 I39 I40I13-A53 HydrophobicContact CD1-CB 3.32Å; I13-A53 HydrophobicContact CG1-CB 4.36Å; I39-A53 CarbonylContact O-C 3.52Å; I39-A53 VanDerWaalsContact O-CA 3.23Å; I39-A53 WeakPolarHBondContact O-CA 3.35Å; I40-A53 HydrophobicContact CG1-CB 4.26Å
54A76.7Confident69Low52 Ų5283.7 Ų83.743%0.4349%0.49SS..EExtended strand (participates in β ladder)trans-114.9123.8166.800000108.2A38 I39A38-A54 CarbonylContact C-O 3.57Å; A38-A54 WeakPolarHBondContact CA-O 3.44Å; I39-A54 HydrophobicContact CB-CB 4.38Å; I39-A54 PolarHBondContact N-O 3.44Å; I39-A54 PolarHBondContact O-N 2.83Å
55L77.2Confident69Low35 Ų3589.6 Ų89.618%0.18350%0.495CS..  trans-119101.9174.6-177.570.3000108.9I13 K14 V17 F35 T36 A38 V57I13-L55 HydrophobicContact CG2-CB 4.41Å; I13-L55 HydrophobicContact CG2-CD2 4.35Å; K14-L55 HydrophobicContact CG-CD1 4.43Å; V17-L55 HydrophobicContact CB-CD2 3.6Å; V17-L55 HydrophobicContact CG1-CD2 3.8Å; V17-L55 HydrophobicContact CG2-CD2 3.54Å; F35-L55 HydrophobicContact CD1-CD2 3.97Å; F35-L55 HydrophobicContact CE1-CD2 4.32Å; T36-L55 WeakPolarHBondContact O-CD1 3.13Å; A38-L55 HydrophobicContact CB-CD1 3.81Å; L55-V57 HydrophobicContact CD2-CG2 3.86Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; L55-V57 PolarHBondContact O-N 3.48Å
56P79.8Confident69.3Low65 Ų6592.6 Ų92.642%0.42249%0.491SS..  trans-71.7125.6169.6-6.420.1000109.4T36T36-P56 HydrophobicContact CG2-CB 4.39Å; T36-P56 PolarHBondContact N-O 3.38Å; T36-P56 VanDerWaalsContact N-O 3.09Å; T36-P56 WeakPolarHBondContact OG1-CB 3.32Å; T36-P56 WeakPolarHBondContact OG1-CD 3.2Å; T36-P56 WeakPolarHBondContact OG1-CG 3.34Å; T36-P56 PolarHBondContact OG1-O 3.19Å
57V76.4Confident69.8Low36 Ų3691.5 Ų91.522%0.21847%0.469CS..EExtended strand (participates in β ladder)trans-124.1135178-1760000108.5V17 I21 V33 F35 L55 F59V17-V57 HydrophobicContact CG1-CG2 3.83Å; I21-V57 HydrophobicContact CD1-CG1 4.22Å; V33-V57 HydrophobicContact CG1-CG1 3.7Å; F35-V57 HydrophobicContact CD1-CG2 4.1Å; F35-V57 HydrophobicContact CE1-CG2 4.32Å; L55-V57 HydrophobicContact CD2-CG2 3.86Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; L55-V57 PolarHBondContact O-N 3.48Å; V57-F59 HydrophobicContact CB-CE2 4.26Å; V57-F59 HydrophobicContact CB-CZ 4.16Å; V57-F59 HydrophobicContact CG1-CD1 4.35Å; V57-F59 HydrophobicContact CG1-CD2 4.46Å; V57-F59 HydrophobicContact CG1-CE1 3.71Å; V57-F59 HydrophobicContact CG1-CE2 3.88Å; V57-F59 HydrophobicContact CG1-CZ 3.46Å; V57-F59 VanDerWaalsContact CG1-CZ 3.46Å
58K79.5Confident70.5Confident136 Ų13687.3 Ų87.359%0.59145%0.447SS*.EExtended strand (participates in β ladder)trans-106.8132.1169.4-62.2-176.4175.1-172.70109.3I34I34-K58 HydrophobicContact CB-CB 4.26Å; I34-K58 PolarHBondContact N-O 3.25Å; I34-K58 PolarHBondContact O-N 2.9Å
59F76.1Confident71.3Confident55 Ų5582.2 Ų82.224%0.24142%0.42CS..EExtended strand (participates in β ladder)trans-106.6119.1172.5-60.2-72.1000108.3I21 P23 V33 V57 Y61I21-F59 HydrophobicContact CB-CE1 4.25Å; I21-F59 HydrophobicContact CD1-CE1 3.81Å; I21-F59 HydrophobicContact CD1-CZ 4Å; I21-F59 HydrophobicContact CG1-CE1 3.59Å; I21-F59 HydrophobicContact CG1-CZ 3.75Å; I21-F59 HydrophobicContact CG2-CD1 4.3Å; I21-F59 HydrophobicContact CG2-CE1 3.59Å; P23-F59 HydrophobicContact CG-CD1 3.71Å; P23-F59 HydrophobicContact CG-CE1 3.87Å; P23-F59 HydrophobicContact CG-CG 4.26Å; P23-F59 HydrophobicContact CG-CZ 4.49Å; V33-F59 HydrophobicContact CG1-CD1 4.21Å; V33-F59 HydrophobicContact CG1-CE1 3.89Å; V33-F59 HydrophobicContact CG2-CD1 4.12Å; V33-F59 HydrophobicContact CG2-CE1 4.27Å; V57-F59 HydrophobicContact CB-CE2 4.26Å; V57-F59 HydrophobicContact CB-CZ 4.16Å; V57-F59 HydrophobicContact CG1-CD1 4.35Å; V57-F59 HydrophobicContact CG1-CD2 4.46Å; V57-F59 HydrophobicContact CG1-CE1 3.71Å; V57-F59 HydrophobicContact CG1-CE2 3.88Å; V57-F59 HydrophobicContact CG1-CZ 3.46Å; V57-F59 VanDerWaalsContact CG1-CZ 3.46Å; F59-Y61 HydrophobicContact CB-CD2 4.2Å; F59-Y61 HydrophobicContact CB-CE2 3.49Å; F59-Y61 VanDerWaalsContact CB-CE2 3.49Å
60L74.7Confident71.7Confident60 Ų6077.8 Ų77.831%0.31441%0.411SS..EExtended strand (participates in β ladder)trans-96.1122.6174.8-65176.8000108.8G31 E32 I34 I103G31-L60 PolarHBondContact N-O 3.2Å; E32-L60 HydrophobicContact CB-CB 4.24Å; E32-L60 HydrophobicContact CB-CD1 4.17Å; E32-L60 PolarHBondContact N-O 3.37Å; E32-L60 PolarHBondContact O-N 3.25Å; I34-L60 HydrophobicContact CD1-CD1 3.78Å; I34-L60 HydrophobicContact CD1-CG 4.46Å; I34-L60 HydrophobicContact CG1-CD1 4.45Å; L60-I103 HydrophobicContact CD2-CD1 4.32Å
61Y73.2Confident71.9Confident47 Ų4779.2 Ų79.218%0.18442%0.417CS..  trans-113.6136.6174.1-63.8-90000108.5P23 C30 F59 N63 L67 I72P23-Y61 VanDerWaalsContact CB-OH 3.25Å; P23-Y61 WeakPolarHBondContact CB-OH 3Å; P23-Y61 VanDerWaalsContact CG-OH 3.29Å; P23-Y61 WeakPolarHBondContact CG-OH 3.45Å; P23-Y61 PolarHBondContact O-OH 3.27Å; C30-Y61 HydrophobicContact CB-CE1 4.23Å; F59-Y61 HydrophobicContact CB-CD2 4.2Å; F59-Y61 HydrophobicContact CB-CE2 3.49Å; F59-Y61 VanDerWaalsContact CB-CE2 3.49Å; Y61-N63 PolarHBondContact O-N 3.44Å; Y61-L67 HydrophobicContact CD1-CD2 3.76Å; Y61-L67 HydrophobicContact CD2-CD1 4Å; Y61-L67 HydrophobicContact CD2-CD2 3.5Å; Y61-L67 VanDerWaalsContact CD2-CD2 3.5Å; Y61-L67 HydrophobicContact CD2-CG 4.4Å; Y61-L67 HydrophobicContact CE1-CD2 3.87Å; Y61-L67 HydrophobicContact CE2-CD1 4.36Å; Y61-L67 HydrophobicContact CE2-CD2 3.59Å; Y61-L67 HydrophobicContact CG-CD2 3.56Å; Y61-I72 WeakPolarHBondContact OH-CD1 3.31Å
62S70Confident72Confident124 Ų12476.9 Ų76.987%0.86741%0.405SS*.SBendtrans-71.9-14.3178.2-52.90000113.2
63N66.1Low72.1Confident93 Ų9371.7 Ų71.750%0.49738%0.381SS..  trans-138.1125.4179.8-165.9-26.2000110Y61 Y65Y61-N63 PolarHBondContact O-N 3.44Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 WeakPolarHBondContact OD1-CD2 3.31Å; N63-Y65 PolarHBondContact OD1-N 3.17Å
64E64.1Low72.4Confident91 Ų9174 Ų7443%0.42539%0.387SS..  trans-74.1-26179.463.7-178.3171.200113K66 T102E64-K66 PolarHBondContact O-N 3.4Å; E64-T102 WeakPolarHBondContact OE2-CG2 3.4Å; E64-T102 PolarHBondContact OE2-OG1 3.42Å
65Y57.4Low72.4Confident181 Ų18175 Ų7571%0.7138%0.383SS*.THydrogen-bonded Turntrans-70.6-5.8-155-86.5-74.5000116N63N63-Y65 WeakPolarHBondContact OD1-CB 3.36Å; N63-Y65 WeakPolarHBondContact OD1-CD2 3.31Å; N63-Y65 PolarHBondContact OD1-N 3.17Å
66K59.6Low72.2Confident123 Ų12374.5 Ų74.554%0.53538%0.38SS..THydrogen-bonded Turntrans-150.854-179.5-57.4-166.6-130.6132.30112.5S25 D26 E64 N68S25-K66 CarbonylContact C-O 3.52Å; S25-K66 PolarHBondContact OG-O 3.09Å; D26-K66 HydrophobicContact CB-CB 3.08Å; D26-K66 HydrophobicContact CB-CD 3.95Å; D26-K66 HydrophobicContact CB-CG 3.97Å; D26-K66 VanDerWaalsContact CB-O 3.29Å; D26-K66 WeakPolarHBondContact CB-O 3.25Å; D26-K66 VanDerWaalsContact CG-CE 3.47Å; D26-K66 VanDerWaalsContact OD1-CD 3.26Å; D26-K66 WeakPolarHBondContact OD1-CD 3.49Å; D26-K66 WeakPolarHBondContact OD1-CE 3.34Å; D26-K66 IonicContact OD1-NZ 2.61Å; D26-K66 PolarHBondContact OD1-NZ 3.45Å; D26-K66 WeakPolarHBondContact OD2-CB 3.36Å; D26-K66 WeakPolarHBondContact OD2-CD 3.36Å; D26-K66 WeakPolarHBondContact OD2-CE 3.01Å; D26-K66 WeakPolarHBondContact OD2-CG 3.43Å; D26-K66 IonicContact OD2-NZ 2.82Å; D26-K66 PolarHBondContact OD2-NZ 2.94Å; E64-K66 PolarHBondContact O-N 3.4Å; K66-N68 PolarHBondContact O-N 3.48Å
67L65.9Low72.1Confident47 Ų4775.5 Ų75.525%0.24638%0.378CS..  trans-78.9103.2163.7-66.1-177.3000111.6S25 Y61 I69 I72 I100S25-L67 WeakPolarHBondContact OG-CA 3.45Å; Y61-L67 HydrophobicContact CD1-CD2 3.76Å; Y61-L67 HydrophobicContact CD2-CD1 4Å; Y61-L67 HydrophobicContact CD2-CD2 3.5Å; Y61-L67 VanDerWaalsContact CD2-CD2 3.5Å; Y61-L67 HydrophobicContact CD2-CG 4.4Å; Y61-L67 HydrophobicContact CE1-CD2 3.87Å; Y61-L67 HydrophobicContact CE2-CD1 4.36Å; Y61-L67 HydrophobicContact CE2-CD2 3.59Å; Y61-L67 HydrophobicContact CG-CD2 3.56Å; L67-I69 HydrophobicContact CB-CD1 4.08Å; L67-I69 PolarHBondContact O-N 2.87Å; L67-I72 HydrophobicContact CD2-CD1 4.47Å; L67-I100 HydrophobicContact CD1-CG2 4.44Å
68N72.2Confident72.2Confident88 Ų8877.4 Ų77.447%0.47139%0.39SS..  trans-87.491.7168.3-174-28.8000108.9S25 K66 D70 S71 I72S25-N68 PolarHBondContact OG-N 3.1Å; K66-N68 PolarHBondContact O-N 3.48Å; N68-D70 VanDerWaalsContact C-N 3.29Å; N68-D70 PolarHBondContact O-N 3.48Å; N68-D70 PolarHBondContact OD1-N 2.96Å; N68-S71 WeakPolarHBondContact O-CB 3.21Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 PolarHBondContact OD1-N 3.35Å; N68-I72 WeakPolarHBondContact O-CG1 3.15Å; N68-I72 PolarHBondContact O-N 3.48Å; N68-I72 VanDerWaalsContact O-N 3.09Å
69I73.2Confident71.9Confident35 Ų3571.7 Ų71.718%0.17937%0.366CS..Hα-helixtrans-60-39.3-178.1-56.2-52.5000111.9L67 S71 I72 I73 V98 I100L67-I69 HydrophobicContact CB-CD1 4.08Å; L67-I69 PolarHBondContact O-N 2.87Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.34Å; I69-I72 HydrophobicContact CD1-CD1 4.31Å; I69-I72 PolarHBondContact O-N 2.89Å; I69-I73 HydrophobicContact CG2-CD1 3.68Å; I69-I73 HydrophobicContact CG2-CG1 4.2Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.27Å; I69-I73 PolarHBondContact O-N 2.91Å; I69-V98 HydrophobicContact CD1-CG1 4.25Å; I69-V98 HydrophobicContact CG2-CB 4.38Å; I69-V98 HydrophobicContact CG2-CG1 4.14Å; I69-V98 HydrophobicContact CG2-CG2 4.24Å; I69-I100 HydrophobicContact CD1-CD1 3.64Å; I69-I100 HydrophobicContact CD1-CG1 4.11Å; I69-I100 HydrophobicContact CG1-CD1 3.83Å
70D76.4Confident71.8Confident112 Ų11270.7 Ų70.760%0.59936%0.36SS*.Hα-helixtrans-63.3-40.7178.3-65.2-42.2000111.6N68 I73 N74N68-D70 VanDerWaalsContact C-N 3.29Å; N68-D70 PolarHBondContact O-N 3.48Å; N68-D70 PolarHBondContact OD1-N 2.96Å; D70-I73 PolarHBondContact O-N 3.33Å; D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.43Å
71S75.9Confident71.8Confident55 Ų5572.1 Ų72.139%0.38537%0.368SS..Hα-helixtrans-61-46.1174.1-178.10000111.4N68 I69 N74 H75N68-S71 WeakPolarHBondContact O-CB 3.21Å; N68-S71 PolarHBondContact O-N 2.9Å; N68-S71 PolarHBondContact OD1-N 3.35Å; I69-S71 VanDerWaalsContact C-N 3.33Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-N74 PolarHBondContact O-N 3.41Å; S71-H75 VanDerWaalsContact O-CB 3.32Å; S71-H75 WeakPolarHBondContact O-CB 3.5Å; S71-H75 PolarHBondContact O-N 3.44Å
72I72.7Confident71.7Confident12 Ų1277.3 Ų77.36%0.06239%0.388CS..Hα-helixtrans-60.6-49.3177.7-65.6169.1000110.6P23 Y61 L67 N68 I69 H75 L76P23-I72 HydrophobicContact CB-CB 4.41Å; P23-I72 HydrophobicContact CB-CG1 4.02Å; P23-I72 HydrophobicContact CB-CG2 3.82Å; Y61-I72 WeakPolarHBondContact OH-CD1 3.31Å; L67-I72 HydrophobicContact CD2-CD1 4.47Å; N68-I72 WeakPolarHBondContact O-CG1 3.15Å; N68-I72 PolarHBondContact O-N 3.48Å; N68-I72 VanDerWaalsContact O-N 3.09Å; I69-I72 HydrophobicContact CD1-CD1 4.31Å; I69-I72 PolarHBondContact O-N 2.89Å; I72-H75 PolarHBondContact O-N 2.86Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.81Å
73I76.1Confident71.6Confident15 Ų1573.7 Ų73.78%0.07736%0.355CS..Hα-helixtrans-63.4-43.9179.9-68.6173.2000110.8I69 D70 H75 L76 K77 V96 V98I69-I73 HydrophobicContact CG2-CD1 3.68Å; I69-I73 HydrophobicContact CG2-CG1 4.2Å; I69-I73 WeakPolarHBondContact O-CB 3.26Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.27Å; I69-I73 PolarHBondContact O-N 2.91Å; D70-I73 PolarHBondContact O-N 3.33Å; I73-H75 VanDerWaalsContact C-N 3.34Å; I73-H75 PolarHBondContact O-N 3.39Å; I73-L76 PolarHBondContact O-N 3.33Å; I73-K77 HydrophobicContact CG2-CD 4.07Å; I73-K77 HydrophobicContact CG2-CG 4.44Å; I73-K77 WeakPolarHBondContact O-CB 3.23Å; I73-K77 WeakPolarHBondContact O-CG 3.32Å; I73-K77 PolarHBondContact O-N 3.13Å; I73-V96 HydrophobicContact CG1-CG1 4.43Å; I73-V98 HydrophobicContact CD1-CG2 4.08Å; I73-V98 HydrophobicContact CG1-CG2 4.24Å
74N77.7Confident71.7Confident91 Ų9171.3 Ų71.349%0.48734%0.343SS..Hα-helixtrans-65.3-37.7178.7-74.8-24000112D70 S71 K77 T78D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.19Å; D70-N74 PolarHBondContact O-ND2 3.43Å; S71-N74 PolarHBondContact O-N 3.41Å; N74-K77 PolarHBondContact O-N 3.39Å; N74-T78 WeakPolarHBondContact O-CB 3.43Å; N74-T78 PolarHBondContact O-N 2.84Å; N74-T78 PolarHBondContact O-OG1 3.26Å
75H75.6Confident71.8Confident74 Ų7475.7 Ų75.734%0.34336%0.36SS..Hα-helixtrans-65.4-45.5175.2-164.178.5000111.3S71 I72 I73 K77 T78 N79S71-H75 VanDerWaalsContact O-CB 3.32Å; S71-H75 WeakPolarHBondContact O-CB 3.5Å; S71-H75 PolarHBondContact O-N 3.44Å; I72-H75 PolarHBondContact O-N 2.86Å; I73-H75 VanDerWaalsContact C-N 3.34Å; I73-H75 PolarHBondContact O-N 3.39Å; H75-K77 PolarHBondContact O-N 2.9Å; H75-T78 PolarHBondContact O-N 2.87Å; H75-N79 PolarHBondContact CD2-ND2 2.72Å; H75-N79 PolarHBondContact NE2-ND2 2.88Å; H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.43Å; H75-N79 PolarHBondContact O-ND2 3.08Å
76L74.8Confident72.2Confident24 Ų2473.2 Ų73.213%0.12636%0.358CS..Hα-helixtrans-59-46.6174.9-74.1169.9000111.7A20 I72 I73 Y80A20-L76 HydrophobicContact CB-CD2 3.99Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 2.81Å; I73-L76 PolarHBondContact O-N 3.33Å; L76-Y80 WeakPolarHBondContact O-CB 2.86Å; L76-Y80 PolarHBondContact O-N 3.12Å
77K76.9Confident72.5Confident86 Ų8668.8 Ų68.837%0.37434%0.343SS..Hα-helixtrans-62-44.9176.7-74.7175.8179.8174.80112.4I73 N74 H75 Y80 D81I73-K77 HydrophobicContact CG2-CD 4.07Å; I73-K77 HydrophobicContact CG2-CG 4.44Å; I73-K77 WeakPolarHBondContact O-CB 3.23Å; I73-K77 WeakPolarHBondContact O-CG 3.32Å; I73-K77 PolarHBondContact O-N 3.13Å; N74-K77 PolarHBondContact O-N 3.39Å; H75-K77 PolarHBondContact O-N 2.9Å; K77-Y80 WeakPolarHBondContact O-CB 3.3Å; K77-Y80 PolarHBondContact O-N 2.81Å; K77-D81 PolarHBondContact O-N 2.83Å
78T77.8Confident72.5Confident77 Ų7774.2 Ų74.247%0.47236%0.364SS..Hα-helixtrans-64.3-44.9-179.9-58.80000111.5N74 H75 Y80 D81 R82N74-T78 WeakPolarHBondContact O-CB 3.43Å; N74-T78 PolarHBondContact O-N 2.84Å; N74-T78 PolarHBondContact O-OG1 3.26Å; H75-T78 PolarHBondContact O-N 2.87Å; T78-Y80 VanDerWaalsContact C-N 3.35Å; T78-D81 PolarHBondContact O-N 2.85Å; T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.82Å
79N74.1Confident72.1Confident16 Ų1671.5 Ų71.59%0.08635%0.35CS..Hα-helixtrans-63.2-45.6175.4-75.3-25.3000110.4A20 H75 D81 R82 Y83A20-N79 HydrophobicContact CB-CB 3.85Å; A20-N79 PolarHBondContact O-ND2 3.36Å; A20-N79 VanDerWaalsContact O-ND2 3.09Å; H75-N79 PolarHBondContact CD2-ND2 2.72Å; H75-N79 PolarHBondContact NE2-ND2 2.88Å; H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.43Å; H75-N79 PolarHBondContact O-ND2 3.08Å; N79-D81 PolarHBondContact O-N 2.79Å; N79-R82 WeakPolarHBondContact O-CB 3.16Å; N79-R82 PolarHBondContact O-N 2.87Å; N79-Y83 HydrophobicContact CB-CD2 4.45Å; N79-Y83 HydrophobicContact CB-CE2 4.37Å; N79-Y83 WeakPolarHBondContact O-CD2 3.49Å; N79-Y83 PolarHBondContact O-N 3.13Å
80Y73.1Confident71.8Confident33 Ų3377.6 Ų77.613%0.12937%0.37CS..Hα-helixtrans-53-50.7174.3167.9-88.9000112.9L76 K77 T78 R82 Y83 N84 I91 L94L76-Y80 WeakPolarHBondContact O-CB 2.86Å; L76-Y80 PolarHBondContact O-N 3.12Å; K77-Y80 WeakPolarHBondContact O-CB 3.3Å; K77-Y80 PolarHBondContact O-N 2.81Å; T78-Y80 VanDerWaalsContact C-N 3.35Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.91Å; Y80-Y83 PolarHBondContact O-N 2.99Å; Y80-Y83 VanDerWaalsContact O-N 3.15Å; Y80-N84 PolarHBondContact O-N 3.36Å; Y80-I91 HydrophobicContact CD2-CD1 3.77Å; Y80-I91 HydrophobicContact CE2-CB 3.44Å; Y80-I91 VanDerWaalsContact CE2-CB 3.44Å; Y80-I91 HydrophobicContact CE2-CD1 3.44Å; Y80-I91 VanDerWaalsContact CE2-CD1 3.44Å; Y80-I91 HydrophobicContact CE2-CG1 4.03Å; Y80-I91 HydrophobicContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact OH-C 3.23Å; Y80-I91 VanDerWaalsContact OH-CB 3.24Å; Y80-I91 WeakPolarHBondContact OH-CB 3.46Å; Y80-I91 VanDerWaalsContact OH-CG2 3.26Å; Y80-I91 WeakPolarHBondContact OH-CG2 3.36Å; Y80-I91 PolarHBondContact OH-O 3.49Å; Y80-L94 HydrophobicContact CD1-CD2 4.34Å; Y80-L94 HydrophobicContact CD2-CB 4.15Å; Y80-L94 HydrophobicContact CD2-CD1 4.25Å; Y80-L94 HydrophobicContact CD2-CD2 3.87Å; Y80-L94 HydrophobicContact CD2-CG 4.31Å; Y80-L94 HydrophobicContact CE1-CB 4.34Å; Y80-L94 HydrophobicContact CE2-CB 3.78Å; Y80-L94 HydrophobicContact CE2-CD1 4.35Å; Y80-L94 HydrophobicContact CE2-CD2 4.36Å; Y80-L94 HydrophobicContact CE2-CG 4.38Å; Y80-L94 HydrophobicContact CG-CD2 3.83Å
81D74.4Confident71.3Confident90 Ų9074.5 Ų74.548%0.48135%0.354SS..Hα-helixtrans-63.7-38.7180-77.3-21.3000111.9K77 T78 N79 N84 K85K77-D81 PolarHBondContact O-N 2.83Å; T78-D81 PolarHBondContact O-N 2.85Å; N79-D81 PolarHBondContact O-N 2.79Å; D81-N84 PolarHBondContact O-N 3.41Å; D81-K85 PolarHBondContact O-N 3.22Å
82R72.2Confident71Confident157 Ų15779.2 Ų79.259%0.59237%0.373SS*.Hα-helixtrans-62.3-43.8174.1-173-177.4-67.6174.3-1.4111T78 N79 Y80 K85T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.82Å; N79-R82 WeakPolarHBondContact O-CB 3.16Å; N79-R82 PolarHBondContact O-N 2.87Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.91Å; R82-K85 PolarHBondContact O-N 3.47Å
83Y68.3Low70.8Confident47 Ų4786.4 Ų86.418%0.18440%0.399CS..Hα-helixtrans-66.9-40.1177.8-81.5-65.6000112.9L16 I19 N79 Y80 K85 I86 S87L16-Y83 HydrophobicContact CD2-CD1 3.79Å; L16-Y83 HydrophobicContact CD2-CG 3.73Å; I19-Y83 HydrophobicContact CB-CE2 4.06Å; I19-Y83 WeakPolarHBondContact CB-OH 3.49Å; I19-Y83 HydrophobicContact CD1-CE1 4.04Å; I19-Y83 HydrophobicContact CG2-CE2 4.2Å; I19-Y83 WeakPolarHBondContact CG2-OH 3.45Å; N79-Y83 HydrophobicContact CB-CD2 4.45Å; N79-Y83 HydrophobicContact CB-CE2 4.37Å; N79-Y83 WeakPolarHBondContact O-CD2 3.49Å; N79-Y83 PolarHBondContact O-N 3.13Å; Y80-Y83 PolarHBondContact O-N 2.99Å; Y80-Y83 VanDerWaalsContact O-N 3.15Å; Y83-K85 PolarHBondContact O-N 3.15Å; Y83-K85 VanDerWaalsContact O-N 3.13Å; Y83-I86 HydrophobicContact CD1-CD1 3.87Å; Y83-I86 HydrophobicContact CD1-CG1 4.19Å; Y83-I86 HydrophobicContact CE1-CD1 3.99Å; Y83-I86 WeakPolarHBondContact O-CG1 3.3Å; Y83-I86 PolarHBondContact O-N 2.88Å; Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 3.05Å
84N66.7Low70.6Confident44 Ų4489.1 Ų89.124%0.23541%0.413CS..Hα-helixtrans-60.6-25178.9-153.519.6000112.4Y80 D81 R90 I91Y80-N84 PolarHBondContact O-N 3.36Å; D81-N84 PolarHBondContact O-N 3.41Å; N84-R90 VanDerWaalsContact OD1-CA 3.3Å; N84-R90 WeakPolarHBondContact OD1-CA 3.26Å; N84-I91 PolarHBondContact ND2-O 3.08Å; N84-I91 PolarHBondContact OD1-N 2.97Å
85K67.8Low70.4Confident183 Ų18390.6 Ų90.680%0.79642%0.415SS*.Hα-helixtrans-77.2-25.6174.7-69178.1-177.8-1790114.2D81 R82 Y83D81-K85 PolarHBondContact O-N 3.22Å; R82-K85 PolarHBondContact O-N 3.47Å; Y83-K85 PolarHBondContact O-N 3.15Å; Y83-K85 VanDerWaalsContact O-N 3.13Å
86I66.1Low70.4Confident128 Ų12888.9 Ų88.966%0.65641%0.41SS*.Hα-helixtrans-111.9-13.9-174.861.6171.8000113.6Y83Y83-I86 HydrophobicContact CD1-CD1 3.87Å; Y83-I86 HydrophobicContact CD1-CG1 4.19Å; Y83-I86 HydrophobicContact CE1-CD1 3.99Å; Y83-I86 WeakPolarHBondContact O-CG1 3.3Å; Y83-I86 PolarHBondContact O-N 2.88Å
87S65.4Low70.4Confident31 Ų3193.1 Ų93.122%0.21743%0.433CS..  trans-84.5144.8-178.3177.30000111.7Y83 I89Y83-S87 WeakPolarHBondContact O-CB 3.35Å; Y83-S87 PolarHBondContact O-N 3.05Å; S87-I89 PolarHBondContact O-N 3.44Å; S87-I89 PolarHBondContact OG-N 2.86Å; S87-I89 PolarHBondContact OG-O 3.43Å; S87-I89 VanDerWaalsContact OG-O 3.08Å
88F65.9Low70.2Confident160 Ų16090.6 Ų90.670%0.70243%0.425SS*.SBendtrans-71.1-21167.571.2-86.8000112.2T12T12-F88 HydrophobicContact CG2-CE1 4.31Å; T12-F88 HydrophobicContact CG2-CZ 4.39Å
89I64.3Low70.2Confident32 Ų3291.1 Ų91.116%0.16443%0.428CS..SBendtrans-90.2108.3173.6-54-177.2000107.6Y9 T12 S87 I91Y9-I89 HydrophobicContact CD1-CD1 3.84Å; Y9-I89 HydrophobicContact CE1-CD1 4.18Å; T12-I89 HydrophobicContact CG2-CD1 3.61Å; S87-I89 PolarHBondContact O-N 3.44Å; S87-I89 PolarHBondContact OG-N 2.86Å; S87-I89 PolarHBondContact OG-O 3.43Å; S87-I89 VanDerWaalsContact OG-O 3.08Å; I89-I91 HydrophobicContact CG2-CG1 4.48Å; I89-I91 PolarHBondContact O-N 3.3Å
90R66.4Low70.1Confident162 Ų16294.5 Ų94.561%0.61145%0.445SS*.  trans-75.6112.9168.5-172.6177.8-177.5-172.80.2108.9N84N84-R90 VanDerWaalsContact OD1-CA 3.3Å; N84-R90 WeakPolarHBondContact OD1-CA 3.26Å
91I65.8Low70.2Confident48 Ų4897.6 Ų97.625%0.24647%0.471CS..  trans-86.1121.4173.4-42.5166000107.7L16 Y80 N84 I89L16-I91 HydrophobicContact CD1-CD1 4.18Å; Y80-I91 HydrophobicContact CD2-CD1 3.77Å; Y80-I91 HydrophobicContact CE2-CB 3.44Å; Y80-I91 VanDerWaalsContact CE2-CB 3.44Å; Y80-I91 HydrophobicContact CE2-CD1 3.44Å; Y80-I91 VanDerWaalsContact CE2-CD1 3.44Å; Y80-I91 HydrophobicContact CE2-CG1 4.03Å; Y80-I91 HydrophobicContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact CE2-CG2 3.42Å; Y80-I91 VanDerWaalsContact OH-C 3.23Å; Y80-I91 VanDerWaalsContact OH-CB 3.24Å; Y80-I91 WeakPolarHBondContact OH-CB 3.46Å; Y80-I91 VanDerWaalsContact OH-CG2 3.26Å; Y80-I91 WeakPolarHBondContact OH-CG2 3.36Å; Y80-I91 PolarHBondContact OH-O 3.49Å; N84-I91 PolarHBondContact ND2-O 3.08Å; N84-I91 PolarHBondContact OD1-N 2.97Å; I89-I91 HydrophobicContact CG2-CG1 4.48Å; I89-I91 PolarHBondContact O-N 3.3Å
92I69.5Low69.9Low154 Ų15497 Ų9779%0.7947%0.471SS*.  trans-88.6-32.7-172.4-61.2169.9000110.9
93R68.3Low69.6Low163 Ų16396 Ų9662%0.61548%0.476SS*.  trans-147134.2-177.3-169.3176-174.51803.5110.3
94L71.9Confident69.1Low71 Ų7199.2 Ų99.237%0.37250%0.501SS..  trans-114.7120.4168.3-178.368.4000108.2Y80 V96Y80-L94 HydrophobicContact CD1-CD2 4.34Å; Y80-L94 HydrophobicContact CD2-CB 4.15Å; Y80-L94 HydrophobicContact CD2-CD1 4.25Å; Y80-L94 HydrophobicContact CD2-CD2 3.87Å; Y80-L94 HydrophobicContact CD2-CG 4.31Å; Y80-L94 HydrophobicContact CE1-CB 4.34Å; Y80-L94 HydrophobicContact CE2-CB 3.78Å; Y80-L94 HydrophobicContact CE2-CD1 4.35Å; Y80-L94 HydrophobicContact CE2-CD2 4.36Å; Y80-L94 HydrophobicContact CE2-CG 4.38Å; Y80-L94 HydrophobicContact CG-CD2 3.83Å; L94-V96 HydrophobicContact CD1-CG2 4.41Å; L94-V96 HydrophobicContact CD2-CG2 3.99Å; L94-V96 HydrophobicContact CG-CG2 3.91Å
95K74Confident68.1Low122 Ų122104.3 Ų104.353%0.5352%0.523SS..  trans-109.7122.6168.2-172.7173.7-178.8175.40107.5N97K95-N97 VanDerWaalsContact CE-OD1 3.3Å; K95-N97 WeakPolarHBondContact CE-OD1 3.24Å
96V74.1Confident66.8Low39 Ų39104.8 Ų104.824%0.23653%0.525CS..  trans-111118.6177.1-175.50000107.3I73 L94 V98I73-V96 HydrophobicContact CG1-CG1 4.43Å; L94-V96 HydrophobicContact CD1-CG2 4.41Å; L94-V96 HydrophobicContact CD2-CG2 3.99Å; L94-V96 HydrophobicContact CG-CG2 3.91Å; V96-V98 HydrophobicContact CG1-CG2 3.94Å
97N74.9Confident65.3Low112 Ų112107.1 Ų107.160%0.59953%0.533SS*.  trans-106.9130.4169.2-66.3-7.6000107.2K95K95-N97 VanDerWaalsContact CE-OD1 3.3Å; K95-N97 WeakPolarHBondContact CE-OD1 3.24Å
98V73.7Confident63.9Low34 Ų34112 Ų11221%0.20655%0.553CS.*  trans-116.6126.8179.4-176.70000108.5I69 I73 V96 I100I69-V98 HydrophobicContact CD1-CG1 4.25Å; I69-V98 HydrophobicContact CG2-CB 4.38Å; I69-V98 HydrophobicContact CG2-CG1 4.14Å; I69-V98 HydrophobicContact CG2-CG2 4.24Å; I73-V98 HydrophobicContact CD1-CG2 4.08Å; I73-V98 HydrophobicContact CG1-CG2 4.24Å; V96-V98 HydrophobicContact CG1-CG2 3.94Å; V98-I100 HydrophobicContact CG1-CG1 4.31Å
99T76.5Confident62.7Low87 Ų87112 Ų11253%0.53455%0.548SS..  trans-120.3128.3167.8-53.60000106.9
100I73.7Confident61.4Low88 Ų88122.3 Ų122.345%0.45159%0.585SS.*  trans-101.2132.1174.6-53.7173.2000106.9L67 I69 V98L67-I100 HydrophobicContact CD1-CG2 4.44Å; I69-I100 HydrophobicContact CD1-CD1 3.64Å; I69-I100 HydrophobicContact CD1-CG1 4.11Å; I69-I100 HydrophobicContact CG1-CD1 3.83Å; V98-I100 HydrophobicContact CG1-CG1 4.31Å
101S74.6Confident60.1Low97 Ų97123.3 Ų123.368%0.67860%0.596SS**  trans-130.9122.2172.7-52.30000107.9
102T69Low58.9Low79 Ų79129 Ų12949%0.48562%0.622SS.*  trans-78.9120168.4-62.70000107.8E64 V104E64-T102 WeakPolarHBondContact OE2-CG2 3.4Å; E64-T102 PolarHBondContact OE2-OG1 3.42Å; T102-V104 HydrophobicContact CG2-CG2 4.04Å; T102-V104 PolarHBondContact O-N 2.87Å
103I65.2Low57.3Low134 Ų134128.7 Ų128.769%0.68762%0.617SS**  trans-82.997.8163.9-56.5174.4000105.1L60 E105L60-I103 HydrophobicContact CD2-CD1 4.32Å; I103-E105 PolarHBondContact O-N 3.4Å
104V57.3Low55.8Low116 Ų116130.2 Ų130.270%0.70363%0.628SS**  trans-68.498161.3-174.20000104.6T102 K106T102-V104 HydrophobicContact CG2-CG2 4.04Å; T102-V104 PolarHBondContact O-N 2.87Å; V104-K106 PolarHBondContact O-N 2.77Å
105E46.4Very low54.2Low151 Ų151132.5 Ų132.571%0.70665%0.645SS**  trans-53.9112.9161.8-132.6178.4-17900104.3I103 Q107I103-E105 PolarHBondContact O-N 3.4Å; E105-Q107 PolarHBondContact O-N 3.41Å
106K39.1Very low52.1Low193 Ų193135.9 Ų135.984%0.83966%0.66SS**  trans-62.973.5163.8-98.9-174172.6-177.20106.4V104 E108V104-K106 PolarHBondContact O-N 2.77Å; K106-E108 PolarHBondContact O-N 3.35Å; K106-E108 VanDerWaalsContact O-N 3.11Å
107Q36.2Very low50Low177 Ų177142.3 Ų142.383%0.82769%0.685SS**  trans-83.851.3163.9-155.1177.41500107E105E105-Q107 PolarHBondContact O-N 3.41Å
108E34.6Very low48.2Very low134 Ų134145.4 Ų145.463%0.62670%0.695SS**  trans-99.3116.8163.8-138.9-163.8145.600106.5K106K106-E108 PolarHBondContact O-N 3.35Å; K106-E108 VanDerWaalsContact O-N 3.11Å
109R40.8Very low46.1Very low160 Ų160153.4 Ų153.460%0.60473%0.731SS**  trans63.688.8161.2-61172.2-160.2-143.30117.1
110R37.6Very low43.9Very low248 Ų248153.6 Ų153.694%0.93674%0.741SS**SBendtrans-123.7-6140.8-117.4-173.5-172.9-163.23.3115.6
111E38.1Very low41.7Very low183 Ų183155.4 Ų155.486%0.85576%0.757SS**SBendtrans-110.8-15.3-179.9-70-164.7148.900116.1
112E40.6Very low39.3Very low167 Ų167155.8 Ų155.878%0.7876%0.759SS**SBendtrans-96.9-12173.1-67-166.6167.200114.6K114 V115E112-K114 PolarHBondContact O-N 2.99Å; E112-K114 VanDerWaalsContact O-N 3.17Å; E112-V115 PolarHBondContact O-N 2.93Å
113E36.6Very low37.4Very low147 Ų147158 Ų15869%0.68777%0.772SS**THydrogen-bonded Turntrans-82.39.7-178.8-135.5178.4-166.900114.5
114K37.5Very low35.5Very low195 Ų195159.3 Ų159.385%0.84878%0.78SS**THydrogen-bonded Turntrans-97.5-7.2169.2-134.2-178.7-174.8-175.60114.2E112E112-K114 PolarHBondContact O-N 2.99Å; E112-K114 VanDerWaalsContact O-N 3.17Å
115V38.3Very low34.2Very low119 Ų119159.7 Ų159.772%0.72178%0.783SS**THydrogen-bonded Turntrans-116.2-20.2-173.8-174.50000114.7E112 K117E112-V115 PolarHBondContact O-N 2.93Å; V115-K117 PolarHBondContact O-N 2.84Å
116F30.1Very low33.2Very low194 Ų194158.2 Ų158.285%0.85178%0.784SS**  trans-105.477.3171-98.7-92.5000112.2
117K29.7Very low32.6Very low174 Ų174157.9 Ų157.976%0.75779%0.786SS**  trans-56.1149.1151.1-90.4178.5167.8-175.20110.2V115V115-K117 PolarHBondContact O-N 2.84Å
118E37.3Very low32Very low176 Ų176153.6 Ų153.682%0.82279%0.789SS**  trans63.280.8152.4-69.717613700117
119E29.2Very low31.5Very low202 Ų202150.6 Ų150.694%0.94479%0.794SS**  -152.7126.7124.6-123.3179.6143.600110.6
120A29.4Very low30.9Very low91 Ų91151.8 Ų151.875%0.75281%0.807SS**  trans-71.3143.9-178.400000111.2
121T27.6Very low30.7Very low127 Ų127149.6 Ų149.678%0.77981%0.807SS**  167130.9111.4-64.30000109
122S25.6Very low30.3Very low105 Ų105150.2 Ų150.273%0.73481%0.81SS**  trans-47.8134.5173.551.40000114.7
123V27.5Very low29.9Very low124 Ų124145.3 Ų145.375%0.75281%0.805SS**  trans-140.2111.1142.7-1700000108.2V125V123-V125 HydrophobicContact CG1-CG2 3.77Å; V123-V125 PolarHBondContact O-N 2.91Å
124N25Very low29.6Very low162 Ų162145.3 Ų145.387%0.86681%0.805SS**  trans-67116.4161.5-97.6-8000107.2
125V32Very low29.5Very low125 Ų125146.1 Ų146.176%0.75880%0.802SS**  trans-115.8102.2163.3-177.60000107.5V123V123-V125 HydrophobicContact CG1-CG2 3.77Å; V123-V125 PolarHBondContact O-N 2.91Å
126T25.4Very low29.2Very low120 Ų120147 Ų14774%0.73680%0.8SS**  trans-79.7131.6158-44.60000107.1
127E25.6Very low29.4Very low186 Ų186140.7 Ų140.787%0.86978%0.777SS**  trans140.4126.9147-82.9-17314800112.8
128G23.2Very low29.5Very low86 Ų86139.2 Ų139.289%0.88777%0.773SS**  trans74.7107.5130.500000117.3
129G24.4Very low29.3Very low72 Ų72134.7 Ų134.774%0.74276%0.758SS**  trans-17261.8168.400000113.1
130E29Very low29.4Very low185 Ų185133.2 Ų133.286%0.86475%0.751SS**  trans43.1120.9143-64.2174.114100120.6E132E130-E132 PolarHBondContact O-N 3.26Å
131E33.5Very low29.6Very low202 Ų202131.8 Ų131.894%0.94474%0.739SS**  trans-56.8115.9159.8-59.2177.1149.400110.2
132E29.1Very low29.8Very low195 Ų195135 Ų13591%0.91175%0.745SS**  trans-121.3115.9166.2-81.1-162139.900111E130E130-E132 PolarHBondContact O-N 3.26Å
133G31.4Very low30Very low65 Ų65134.6 Ų134.667%0.6774%0.739SS**  trans114.729.7144.200000118.9R135G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 2.81Å
134E31.8Very low30.1Very low147 Ų147133.9 Ų133.969%0.68773%0.734SS**  trans-68.985.9163.9-74.5-163.3156.200110.8M136E134-M136 PolarHBondContact O-N 3.44Å; E134-M136 VanDerWaalsContact O-N 3.17Å
135R34.1Very low30.5Very low212 Ų212133.4 Ų133.480%0.873%0.731SS**  trans-8095170.3-168.5179.7-177.5-1660.1109.6G133G133-R135 VanDerWaalsContact C-N 3.28Å; G133-R135 PolarHBondContact O-N 2.81Å
136M32.5Very low30.5Very low138 Ų138134.3 Ų134.368%0.6873%0.726SS**  trans-78.6117.6168.6-60.4-177.1-132.300109.5E134E134-M136 PolarHBondContact O-N 3.44Å; E134-M136 VanDerWaalsContact O-N 3.17Å
137T33.5Very low30.9Very low60 Ų60134.1 Ų134.137%0.36873%0.727SS.*  trans-102106.2165.350.30000109.1
138E32.3Very low31.5Very low144 Ų144132 Ų13267%0.67372%0.721SS**  trans-81.1117.3167.6-68.8-164.4125.500109.2
139T33.9Very low32.1Very low81 Ų81132.9 Ų132.950%0.49771%0.711SS.*  trans-104.3104.3166-41.20000108.4A141T139-A141 PolarHBondContact O-N 3.5Å
140E31.1Very low32.7Very low170 Ų170135.1 Ų135.179%0.79471%0.712SS**  trans-76.7112.8169.4-65.1-165.3139.400109.1
141A34.2Very low33.1Very low62 Ų62131.6 Ų131.651%0.51271%0.708SS.*  trans-87115.9167.600000109T139T139-A141 PolarHBondContact O-N 3.5Å
142E30.9Very low33.6Very low194 Ų194128.8 Ų128.891%0.90771%0.705SS**PPolyproline II helixtrans-66.7134.4174.1-164.4175.3123.100110.5
143T30.6Very low34Very low97 Ų97128.6 Ų128.660%0.59570%0.701SS**PPolyproline II helixtrans-99.4123.5-173.241.60000111.9
144T29.3Very low34.4Very low108 Ų108134.2 Ų134.266%0.66371%0.71SS**PPolyproline II helixtrans-102.1117.7157.6-550000109.3
145I34.1Very low34.8Very low153 Ų153131.7 Ų131.779%0.78571%0.714SS**  trans-86.3113.2174.4-59.6165.7000107.7
146H30.9Very low35.3Very low143 Ų143126 Ų12666%0.66271%0.707SS**PPolyproline II helixtrans-90.7122.5167.3-66.6-72.7000109.5
147P34.3Very low35.8Very low116 Ų116127.9 Ų127.975%0.75371%0.714SS**PPolyproline II helixtrans-60.7141.417023.8-30.1000109.9
148L37.2Very low36.4Very low141 Ų141130.9 Ų130.974%0.73874%0.737SS**PPolyproline II helixtrans-60.9140.5175.5-89.2127.8000109.9
149P35.7Very low36.9Very low106 Ų106132.7 Ų132.769%0.68875%0.746SS**PPolyproline II helixtrans-58.3147.4174.824.2-32.3000110.3S151P149-S151 PolarHBondContact O-N 3.05Å
150P37.1Very low37.3Very low118 Ų118136.4 Ų136.477%0.76676%0.762SS**PPolyproline II helixtrans-56.9131.3-175.222-31.9000110.4T152P150-T152 PolarHBondContact O-N 3.3Å
151S38.6Very low37.8Very low111 Ų111138 Ų13878%0.77677%0.766SS**  trans-61.2109.9177.1-162.20000108.6P149 K153P149-S151 PolarHBondContact O-N 3.05Å; S151-K153 PolarHBondContact O-N 2.83Å
152T42.9Very low38.3Very low143 Ų143140.3 Ų140.388%0.87778%0.778SS**SBendtrans-73.769.5172.418.80000109.2P150P150-T152 PolarHBondContact O-N 3.3Å
153K38.1Very low39Very low191 Ų191140.9 Ų140.983%0.8378%0.778SS**  trans-146.156.9164.3-75-163.5178.5-179.80110.1S151S151-K153 PolarHBondContact O-N 2.83Å
154E38.9Very low39.5Very low183 Ų183143.1 Ų143.186%0.85579%0.791SS**  trans-142.929.2160.2-126.2-175.3140.600111.9
155A40.7Very low40.2Very low94 Ų94142.4 Ų142.478%0.77780%0.796SS**SBendtrans-110.171.9162.500000108
156S44.1Very low40.6Very low93 Ų93144.7 Ų144.765%0.6580%0.801SS**SBendtrans-165.1-9164.2-81.60000116.3
157E43.9Very low41Very low178 Ų178145.3 Ų145.383%0.83281%0.808SS**SBendtrans-92-5.6-179.7-77.5-169.1136.100115.7
158S45.6Very low41.3Very low122 Ų122145.7 Ų145.785%0.85381%0.811SS**SBendtrans-101.7-8177-60.70000115.5
159E42.3Very low42Very low183 Ų183150.5 Ų150.586%0.85584%0.836SS**SBendtrans-100.4-8.8179.2-94.1-171.696.700115.4
160L41.9Very low42.3Very low158 Ų158152.8 Ų152.883%0.82784%0.844SS**THydrogen-bonded Turntrans-95.39.4-178.2-87.9158.6000115.7
161K42.7Very low42.6Very low204 Ų204154.6 Ų154.689%0.88785%0.848SS**THydrogen-bonded Turntrans-108.19.2173.9-81.4-173.4177.81780116.3
162S44Very low42.8Very low110 Ų110157 Ų15777%0.76985%0.852SS**SBendtrans-102.53.6178.9-160.10000115.7
163K45.9Very low42.8Very low206 Ų206157.8 Ų157.890%0.89685%0.85SS**SBendtrans-117.551.5176.7-72.3-164.3177.7-174.90113.7
164V41.5Very low43.1Very low145 Ų145155.8 Ų155.888%0.87985%0.852SS**  trans-141.981156.5-177.20000108.2
165A43.3Very low43.3Very low92 Ų92153.9 Ų153.976%0.7685%0.851SS**SBendtrans-151.292.5160.600000110.4
166K41.8Very low43.5Very low202 Ų202158.2 Ų158.288%0.87886%0.857SS**  trans7597.6149.1-62-175.8176.2-178.40118.8
167D41.4Very low43.5Very low155 Ų155163.2 Ų163.283%0.82987%0.873SS**  trans-29.3130.1138.9-83.7-75.2000114
168P40.4Very low43.5Very low124 Ų124162 Ų16281%0.80588%0.876SS**  trans-89.2123.6154.431.8-24.8000110.4
169L50.6Low43.3Very low243 Ų243165.6 Ų165.6100%1.27288%0.878SS**  trans-118.50153.5-107.6155.8000107.1

Retrieved 169 of 169 residues in 25.2 ms (Link to these results)