A0A077ZJR2_TRITR Loading...

Large ribosomal subunit protein uL10m

AlphaFold DB , UniProt , Accession A0A077ZJR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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
1M50Low54.5Low212 Ų212140.7 Ų140.7100%1.04467%0.667SS**  0-40.50-70.9-172.7-161.900113.5F3 H4 Q5M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.39Å; M1-H4 PolarHBondContact O-N 3.48Å; M1-Q5 PolarHBondContact O-N 3.28Å
2L50.1Low55.4Low138 Ų138137.3 Ų137.372%0.72365%0.654SS**Hα-helixtrans-62-29.5-178.6-70.1166.8000115.3N6L2-N6 PolarHBondContact O-N 3.41Å
3F49.8Very low56.3Low174 Ų174136.2 Ų136.276%0.76365%0.65SS**Hα-helixtrans-72.4-32.1178.6-105.8-84.3000114M1 Q7M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.39Å; F3-Q7 PolarHBondContact O-N 3.45Å
4H53.7Low57.1Low135 Ų135129.9 Ų129.963%0.62563%0.627SS**Hα-helixtrans-75.4-40.5177.7-87.942.8000111.4M1 N6 Q7 E8M1-H4 PolarHBondContact O-N 3.48Å; H4-N6 VanDerWaalsContact C-N 3.27Å; H4-N6 PolarHBondContact O-N 3.45Å; H4-Q7 PolarHBondContact O-N 2.89Å; H4-Q7 VanDerWaalsContact O-N 3.15Å; H4-E8 PolarHBondContact O-N 3.19Å
5Q54.7Low58.2Low118 Ų118128.9 Ų128.955%0.55162%0.621SS**Hα-helixtrans-60.8-35.9174.4-77.7-179.1-28.600112.4M1 E8 V9M1-Q5 PolarHBondContact O-N 3.28Å; Q5-E8 PolarHBondContact O-N 3.11Å; Q5-V9 WeakPolarHBondContact O-CB 3.46Å; Q5-V9 VanDerWaalsContact O-CG2 3.24Å; Q5-V9 WeakPolarHBondContact O-CG2 3.23Å; Q5-V9 PolarHBondContact O-N 3Å
6N52Low59.2Low120 Ų120124.9 Ų124.964%0.64261%0.608SS**Hα-helixtrans-71.1-30.3177.9-117.6-25.9000113.2L2 H4 K10L2-N6 PolarHBondContact O-N 3.41Å; H4-N6 VanDerWaalsContact C-N 3.27Å; H4-N6 PolarHBondContact O-N 3.45Å; N6-K10 WeakPolarHBondContact O-CB 3.46Å; N6-K10 PolarHBondContact O-N 3.4Å; N6-K10 VanDerWaalsContact O-N 3.08Å
7Q57.2Low59.7Low129 Ų129119.9 Ų119.960%0.60359%0.591SS**Hα-helixtrans-73.6-40.9173.1-74.4-172.2-16.800111.7F3 H4 K10 Y11F3-Q7 PolarHBondContact O-N 3.45Å; H4-Q7 PolarHBondContact O-N 2.89Å; H4-Q7 VanDerWaalsContact O-N 3.15Å; Q7-K10 PolarHBondContact O-N 3.12Å; Q7-Y11 WeakPolarHBondContact O-CB 3.15Å; Q7-Y11 PolarHBondContact O-N 3.07Å
8E57.3Low60.4Low122 Ų122119.3 Ų119.357%0.5759%0.589SS**Hα-helixtrans-63.4-43.4175-72.7-179.8166.900111.8H4 Q5 K10 Y11 I12H4-E8 PolarHBondContact O-N 3.19Å; Q5-E8 PolarHBondContact O-N 3.11Å; E8-K10 PolarHBondContact O-N 3.15Å; E8-Y11 PolarHBondContact O-N 3.27Å; E8-I12 WeakPolarHBondContact O-CG1 3.5Å; E8-I12 PolarHBondContact O-N 3.41Å
9V58.2Low61Low83 Ų83116.2 Ų116.250%0.50358%0.584SS.*Hα-helixtrans-63.5-42.4174.8173.80000110.7Q5 Y11 M13Q5-V9 WeakPolarHBondContact O-CB 3.46Å; Q5-V9 VanDerWaalsContact O-CG2 3.24Å; Q5-V9 WeakPolarHBondContact O-CG2 3.23Å; Q5-V9 PolarHBondContact O-N 3Å; V9-Y11 VanDerWaalsContact C-N 3.29Å; V9-Y11 PolarHBondContact O-N 3.08Å; V9-M13 HydrophobicContact CG1-CG 4.03Å; V9-M13 WeakPolarHBondContact O-CB 3.34Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 3.33Å
10K56.8Low61.4Low163 Ų163117.4 Ų117.471%0.70959%0.585SS**Hα-helixtrans-62.4-37.8175.2-169.1177.7-178.5-178.90111.7N6 Q7 E8 S14N6-K10 WeakPolarHBondContact O-CB 3.46Å; N6-K10 PolarHBondContact O-N 3.4Å; N6-K10 VanDerWaalsContact O-N 3.08Å; Q7-K10 PolarHBondContact O-N 3.12Å; E8-K10 PolarHBondContact O-N 3.15Å; K10-S14 WeakPolarHBondContact O-CB 3.17Å; K10-S14 PolarHBondContact O-N 3.39Å; K10-S14 PolarHBondContact O-OG 3.38Å
11Y59.9Low61.6Low154 Ų154117 Ų11760%0.60458%0.58SS**Hα-helixtrans-68.4-51.2178.6-169.6-92.5000111.7Q7 E8 V9 M13 S14 E15Q7-Y11 WeakPolarHBondContact O-CB 3.15Å; Q7-Y11 PolarHBondContact O-N 3.07Å; E8-Y11 PolarHBondContact O-N 3.27Å; V9-Y11 VanDerWaalsContact C-N 3.29Å; V9-Y11 PolarHBondContact O-N 3.08Å; Y11-M13 PolarHBondContact O-N 2.87Å; Y11-S14 WeakPolarHBondContact CA-OG 3.32Å; Y11-S14 CarbonylContact O-C 3.57Å; Y11-S14 WeakPolarHBondContact O-CA 3.5Å; Y11-S14 WeakPolarHBondContact O-CB 3.31Å; Y11-S14 PolarHBondContact O-N 3.09Å; Y11-S14 PolarHBondContact O-OG 3.38Å; Y11-E15 PolarHBondContact O-N 2.92Å
12I65.4Low62.6Low99 Ų99108.9 Ų108.951%0.50855%0.547SS..Hα-helixtrans-60.7-45.3176.6-65.6166.9000110.6E8 S14 E15 V16E8-I12 WeakPolarHBondContact O-CG1 3.5Å; E8-I12 PolarHBondContact O-N 3.41Å; I12-S14 VanDerWaalsContact C-N 3.26Å; I12-S14 PolarHBondContact O-N 3.49Å; I12-E15 PolarHBondContact O-N 3.08Å; I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.43Å; I12-V16 VanDerWaalsContact O-CG2 3.29Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.32Å
13M66.7Low63.7Low124 Ų124104.5 Ų104.561%0.61153%0.53SS*.Hα-helixtrans-64-33.1176.1-67.8-61.1-70.400111.8V9 Y11 A17V9-M13 HydrophobicContact CG1-CG 4.03Å; V9-M13 WeakPolarHBondContact O-CB 3.34Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 3.33Å; Y11-M13 PolarHBondContact O-N 2.87Å; M13-A17 WeakPolarHBondContact O-CB 3.35Å; M13-A17 PolarHBondContact O-N 3.13Å
14S68Low64.6Low47 Ų4799.5 Ų99.533%0.32951%0.511SS..Hα-helixtrans-69.7-41.4174.477.70000112.1K10 Y11 I12 A17 I18K10-S14 WeakPolarHBondContact O-CB 3.17Å; K10-S14 PolarHBondContact O-N 3.39Å; K10-S14 PolarHBondContact O-OG 3.38Å; Y11-S14 WeakPolarHBondContact CA-OG 3.32Å; Y11-S14 CarbonylContact O-C 3.57Å; Y11-S14 WeakPolarHBondContact O-CA 3.5Å; Y11-S14 WeakPolarHBondContact O-CB 3.31Å; Y11-S14 PolarHBondContact O-N 3.09Å; Y11-S14 PolarHBondContact O-OG 3.38Å; I12-S14 VanDerWaalsContact C-N 3.26Å; I12-S14 PolarHBondContact O-N 3.49Å; S14-A17 CarbonylContact O-C 3.59Å; S14-A17 PolarHBondContact O-N 3Å; S14-I18 WeakPolarHBondContact O-CB 3.31Å; S14-I18 WeakPolarHBondContact O-CD1 3.43Å; S14-I18 WeakPolarHBondContact O-CG1 3.13Å; S14-I18 PolarHBondContact O-N 3.28Å
15E72.6Confident65.3Low115 Ų11593.3 Ų93.354%0.53748%0.483SS..Hα-helixtrans-66.9-45.7178.8-170.6169.3-165.700110.9Y11 I12 A17 I18 A19Y11-E15 PolarHBondContact O-N 2.92Å; I12-E15 PolarHBondContact O-N 3.08Å; E15-A17 VanDerWaalsContact C-N 3.31Å; E15-A17 PolarHBondContact O-N 2.81Å; E15-I18 PolarHBondContact O-N 2.92Å; E15-A19 WeakPolarHBondContact O-CB 3.27Å; E15-A19 PolarHBondContact O-N 3.38Å
16V74.2Confident66.1Low66 Ų6690.8 Ų90.840%0.447%0.473SS..Hα-helixtrans-62.8-38.4173176.20000111.2I12 A19 K20I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.43Å; I12-V16 VanDerWaalsContact O-CG2 3.29Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.32Å; V16-A19 PolarHBondContact O-N 3.02Å; V16-K20 HydrophobicContact CG1-CD 4.23Å; V16-K20 HydrophobicContact CG1-CG 4.49Å; V16-K20 WeakPolarHBondContact O-CB 3.3Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.24Å; V16-K20 PolarHBondContact O-N 2.9Å
17A69.2Low66.9Low39 Ų3990 Ų9032%0.32247%0.465SS..Hα-helixtrans-68.8-34.4175.900000112.5M13 S14 E15 K21M13-A17 WeakPolarHBondContact O-CB 3.35Å; M13-A17 PolarHBondContact O-N 3.13Å; S14-A17 CarbonylContact O-C 3.59Å; S14-A17 PolarHBondContact O-N 3Å; E15-A17 VanDerWaalsContact C-N 3.31Å; E15-A17 PolarHBondContact O-N 2.81Å; A17-K21 WeakPolarHBondContact O-CB 3.45Å; A17-K21 WeakPolarHBondContact O-CD 3.37Å; A17-K21 WeakPolarHBondContact O-CG 3.43Å; A17-K21 PolarHBondContact O-N 3.3Å; A17-K21 VanDerWaalsContact O-N 3.09Å
18I71.6Confident67.5Low110 Ų11084.1 Ų84.156%0.56444%0.438SS*.Hα-helixtrans-69.8-44.9174.7-68.7159.7000109.5S14 E15 K21 A22S14-I18 WeakPolarHBondContact O-CB 3.31Å; S14-I18 WeakPolarHBondContact O-CD1 3.43Å; S14-I18 WeakPolarHBondContact O-CG1 3.13Å; S14-I18 PolarHBondContact O-N 3.28Å; E15-I18 PolarHBondContact O-N 2.92Å; I18-K21 PolarHBondContact O-N 3.5Å; I18-A22 WeakPolarHBondContact O-CB 3.43Å; I18-A22 PolarHBondContact O-N 3.18Å
19A72.2Confident67.8Low59 Ų5979.5 Ų79.549%0.48842%0.418SS..Hα-helixtrans-62-43.9176.900000112E15 V16 K21 A22 A23E15-A19 WeakPolarHBondContact O-CB 3.27Å; E15-A19 PolarHBondContact O-N 3.38Å; V16-A19 PolarHBondContact O-N 3.02Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 3.28Å; A19-A22 WeakPolarHBondContact O-CB 3.49Å; A19-A22 PolarHBondContact O-N 3.31Å; A19-A23 PolarHBondContact O-N 3.32Å
20K69Low68.3Low140 Ų14081.7 Ų81.761%0.60942%0.423SS*.Hα-helixtrans-61.6-40.2173.9-75.9178.3-179.5-177.50112.1V16 I24V16-K20 HydrophobicContact CG1-CD 4.23Å; V16-K20 HydrophobicContact CG1-CG 4.49Å; V16-K20 WeakPolarHBondContact O-CB 3.3Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.24Å; V16-K20 PolarHBondContact O-N 2.9Å; K20-I24 WeakPolarHBondContact O-CD1 3.42Å; K20-I24 VanDerWaalsContact O-CG1 3.23Å; K20-I24 WeakPolarHBondContact O-CG1 3.26Å; K20-I24 PolarHBondContact O-N 3.24Å; K20-I24 VanDerWaalsContact O-N 3.09Å
21K65.8Low68.7Low110 Ų11076.2 Ų76.248%0.47840%0.399SS..Hα-helixtrans-67.9-37.9175.6-73.5170.8-174.4179.20111.6A17 I18 A19 I24 V25A17-K21 WeakPolarHBondContact O-CB 3.45Å; A17-K21 WeakPolarHBondContact O-CD 3.37Å; A17-K21 WeakPolarHBondContact O-CG 3.43Å; A17-K21 PolarHBondContact O-N 3.3Å; A17-K21 VanDerWaalsContact O-N 3.09Å; I18-K21 PolarHBondContact O-N 3.5Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 3.28Å; K21-I24 PolarHBondContact O-N 3.45Å; K21-V25 VanDerWaalsContact O-CG2 3.28Å; K21-V25 WeakPolarHBondContact O-CG2 3.33Å; K21-V25 PolarHBondContact O-N 3.49Å
22A71.2Confident68.9Low42 Ų4269.7 Ų69.735%0.34737%0.374SS..Hα-helixtrans-63.1-46.9175.700000110.8I18 A19 I24 V25 D26I18-A22 WeakPolarHBondContact O-CB 3.43Å; I18-A22 PolarHBondContact O-N 3.18Å; A19-A22 WeakPolarHBondContact O-CB 3.49Å; A19-A22 PolarHBondContact O-N 3.31Å; A22-I24 VanDerWaalsContact C-N 3.31Å; A22-I24 PolarHBondContact O-N 2.7Å; A22-V25 CarbonylContact O-C 3.59Å; A22-V25 WeakPolarHBondContact O-CA 3.29Å; A22-V25 WeakPolarHBondContact O-CB 3.38Å; A22-V25 PolarHBondContact O-N 2.86Å; A22-D26 VanDerWaalsContact O-CG 3.27Å; A22-D26 PolarHBondContact O-N 3.45Å
23A72.5Confident68.7Low45 Ų4569.8 Ų69.837%0.37238%0.383SS..Hα-helixtrans-57.7-42.5174.900000112.3A19 V25 D26 E27A19-A23 PolarHBondContact O-N 3.32Å; A23-V25 VanDerWaalsContact C-N 3.35Å; A23-V25 PolarHBondContact O-N 2.83Å; A23-D26 PolarHBondContact O-N 3.28Å; A23-E27 WeakPolarHBondContact O-CG 3.35Å; A23-E27 PolarHBondContact O-N 2.96Å
24I68.7Low68.5Low70 Ų7066.8 Ų66.836%0.35938%0.379SS..Hα-helixtrans-66.5-37.7175.7-62.3161.5000111.2K20 K21 A22 D26 V28 I72K20-I24 WeakPolarHBondContact O-CD1 3.42Å; K20-I24 VanDerWaalsContact O-CG1 3.23Å; K20-I24 WeakPolarHBondContact O-CG1 3.26Å; K20-I24 PolarHBondContact O-N 3.24Å; K20-I24 VanDerWaalsContact O-N 3.09Å; K21-I24 PolarHBondContact O-N 3.45Å; A22-I24 VanDerWaalsContact C-N 3.31Å; A22-I24 PolarHBondContact O-N 2.7Å; I24-D26 VanDerWaalsContact C-N 3.29Å; I24-V28 HydrophobicContact CG2-CG2 4.25Å; I24-V28 VanDerWaalsContact O-CB 3.31Å; I24-V28 WeakPolarHBondContact O-CB 3.24Å; I24-V28 WeakPolarHBondContact O-CG2 3.25Å; I24-V28 PolarHBondContact O-N 3.3Å; I24-I72 HydrophobicContact CB-CD1 4.35Å; I24-I72 HydrophobicContact CG2-CD1 3.8Å; I24-I72 HydrophobicContact CG2-CG2 4.03Å
25V68Low68.1Low5 Ų565.2 Ų65.23%0.0337%0.369CS..Hα-helixtrans-61.4-43.9173.91710000109.7K21 A22 A23 V28 T29 I72 R75 K79K21-V25 VanDerWaalsContact O-CG2 3.28Å; K21-V25 WeakPolarHBondContact O-CG2 3.33Å; K21-V25 PolarHBondContact O-N 3.49Å; A22-V25 CarbonylContact O-C 3.59Å; A22-V25 WeakPolarHBondContact O-CA 3.29Å; A22-V25 WeakPolarHBondContact O-CB 3.38Å; A22-V25 PolarHBondContact O-N 2.86Å; A23-V25 VanDerWaalsContact C-N 3.35Å; A23-V25 PolarHBondContact O-N 2.83Å; V25-V28 PolarHBondContact O-N 3.49Å; V25-T29 HydrophobicContact CG1-CG2 4.35Å; V25-T29 WeakPolarHBondContact O-CG2 3.48Å; V25-T29 PolarHBondContact O-N 2.84Å; V25-T29 PolarHBondContact O-OG1 2.82Å; V25-I72 HydrophobicContact CB-CG2 4.48Å; V25-I72 HydrophobicContact CG2-CB 4.32Å; V25-I72 HydrophobicContact CG2-CG1 4.44Å; V25-I72 HydrophobicContact CG2-CG2 3.74Å; V25-R75 HydrophobicContact CG1-CB 4.28Å; V25-R75 HydrophobicContact CG2-CB 4.29Å; V25-K79 HydrophobicContact CG1-CD 3.9Å
26D71Confident67.2Low65 Ų6561 Ų6135%0.34835%0.353SS..Hα-helixtrans-67-45.2-178-62.6-22.1000111.3A22 A23 I24 V28 T29 E30 K79A22-D26 VanDerWaalsContact O-CG 3.27Å; A22-D26 PolarHBondContact O-N 3.45Å; A23-D26 PolarHBondContact O-N 3.28Å; I24-D26 VanDerWaalsContact C-N 3.29Å; D26-V28 VanDerWaalsContact C-N 3.27Å; D26-V28 PolarHBondContact O-N 3.32Å; D26-T29 VanDerWaalsContact CA-OG1 3.25Å; D26-T29 WeakPolarHBondContact CA-OG1 3.48Å; D26-T29 PolarHBondContact O-N 3.45Å; D26-T29 PolarHBondContact O-OG1 3.2Å; D26-E30 WeakPolarHBondContact O-CG 3.4Å; D26-E30 PolarHBondContact O-N 2.91Å; D26-K79 IonicContact OD1-NZ 2.66Å; D26-K79 PolarHBondContact OD1-NZ 3.5Å
27E70.3Confident66.2Low103 Ų10358 Ų5848%0.48134%0.335SS..Hα-helixtrans-57.6-39172.1-75.2179.9-164.300112.6A23 K31A23-E27 WeakPolarHBondContact O-CG 3.35Å; A23-E27 PolarHBondContact O-N 2.96Å; E27-K31 WeakPolarHBondContact O-CB 3.04Å; E27-K31 VanDerWaalsContact O-CG 3.27Å; E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 2.72Å
28V68.1Low65.8Low5 Ų556.3 Ų56.33%0.0332%0.321CS..Hα-helixtrans-73.4-38.5179.1171.70000110.4I24 V25 D26 K31 F32 I68 I72 L73 A76 F97I24-V28 HydrophobicContact CG2-CG2 4.25Å; I24-V28 VanDerWaalsContact O-CB 3.31Å; I24-V28 WeakPolarHBondContact O-CB 3.24Å; I24-V28 WeakPolarHBondContact O-CG2 3.25Å; I24-V28 PolarHBondContact O-N 3.3Å; V25-V28 PolarHBondContact O-N 3.49Å; D26-V28 VanDerWaalsContact C-N 3.27Å; D26-V28 PolarHBondContact O-N 3.32Å; V28-K31 PolarHBondContact O-N 2.87Å; V28-F32 HydrophobicContact CG1-CD2 3.55Å; V28-F32 HydrophobicContact CG1-CE2 3.39Å; V28-F32 WeakPolarHBondContact O-CD2 3.23Å; V28-F32 PolarHBondContact O-N 3.21Å; V28-I68 HydrophobicContact CG1-CD1 3.99Å; V28-I68 HydrophobicContact CG2-CD1 3.67Å; V28-I68 HydrophobicContact CG2-CG1 4.35Å; V28-I68 HydrophobicContact CG2-CG2 4.28Å; V28-I72 HydrophobicContact CG2-CG2 4.3Å; V28-L73 HydrophobicContact CG1-CD2 4.3Å; V28-A76 HydrophobicContact CB-CB 4.34Å; V28-A76 HydrophobicContact CG1-CB 3.7Å; V28-F97 HydrophobicContact CG1-CZ 4.44Å
29T65.1Low65.3Low26 Ų2651.2 Ų51.216%0.1630%0.295CS..Hα-helixtrans-64.8-40.117350.90000112.2V25 D26 K31 F32 S33 A76 K79V25-T29 HydrophobicContact CG1-CG2 4.35Å; V25-T29 WeakPolarHBondContact O-CG2 3.48Å; V25-T29 PolarHBondContact O-N 2.84Å; V25-T29 PolarHBondContact O-OG1 2.82Å; D26-T29 VanDerWaalsContact CA-OG1 3.25Å; D26-T29 WeakPolarHBondContact CA-OG1 3.48Å; D26-T29 PolarHBondContact O-N 3.45Å; D26-T29 PolarHBondContact O-OG1 3.2Å; T29-K31 VanDerWaalsContact C-N 3.32Å; T29-K31 PolarHBondContact O-N 2.83Å; T29-F32 PolarHBondContact O-N 3.27Å; T29-S33 WeakPolarHBondContact O-CB 3.41Å; T29-S33 PolarHBondContact O-N 2.93Å; T29-S33 PolarHBondContact O-OG 3.42Å; T29-A76 HydrophobicContact CG2-CB 3.74Å; T29-K79 HydrophobicContact CG2-CB 3.77Å; T29-K79 HydrophobicContact CG2-CD 3.85Å; T29-K79 HydrophobicContact CG2-CG 4.48Å
30E67.7Low64.8Low128 Ų12848.4 Ų48.460%0.59827%0.272SS*.Hα-helixtrans-61.2-44.8173.9-75.7179.5-17700110.3D26 F32 S33 A34D26-E30 WeakPolarHBondContact O-CG 3.4Å; D26-E30 PolarHBondContact O-N 2.91Å; E30-F32 PolarHBondContact O-N 3.47Å; E30-S33 WeakPolarHBondContact CA-OG 3.45Å; E30-S33 PolarHBondContact O-N 3.34Å; E30-S33 PolarHBondContact O-OG 2.77Å; E30-A34 VanDerWaalsContact O-CB 3.31Å; E30-A34 WeakPolarHBondContact O-CB 3.28Å; E30-A34 PolarHBondContact O-N 2.74Å
31K66.2Low64.4Low48 Ų4842.4 Ų42.421%0.20925%0.247CC..Hα-helixtrans-62.2-41.1174.2-76.2169.2-179.5-77.70113.1E27 V28 T29 S33 A34 A35 E64 K66 F97E27-K31 WeakPolarHBondContact O-CB 3.04Å; E27-K31 VanDerWaalsContact O-CG 3.27Å; E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 2.72Å; V28-K31 PolarHBondContact O-N 2.87Å; T29-K31 VanDerWaalsContact C-N 3.32Å; T29-K31 PolarHBondContact O-N 2.83Å; K31-S33 VanDerWaalsContact C-N 3.31Å; K31-A34 PolarHBondContact O-N 2.84Å; K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.03Å; K31-E64 IonicContact NZ-OE2 2.69Å; K31-E64 PolarHBondContact NZ-OE2 2.92Å; K31-K66 VanDerWaalsContact CE-NZ 3.35Å; K31-F97 HydrophobicContact CB-CD1 4.34Å; K31-F97 HydrophobicContact CB-CE1 4.34Å
32F64.4Low64.1Low18 Ų1837.5 Ų37.58%0.07923%0.226CC..Hα-helixtrans-65-35.8173.9-86.8-69.5000112.1V28 T29 E30 A38 L73 A76 V95 F97 I125V28-F32 HydrophobicContact CG1-CD2 3.55Å; V28-F32 HydrophobicContact CG1-CE2 3.39Å; V28-F32 WeakPolarHBondContact O-CD2 3.23Å; V28-F32 PolarHBondContact O-N 3.21Å; T29-F32 PolarHBondContact O-N 3.27Å; E30-F32 PolarHBondContact O-N 3.47Å; F32-A38 HydrophobicContact CD1-CB 3.9Å; F32-A38 HydrophobicContact CE1-CB 3.51Å; F32-L73 HydrophobicContact CE2-CD2 3.95Å; F32-L73 HydrophobicContact CZ-CD2 4.05Å; F32-A76 HydrophobicContact CD2-CB 4.1Å; F32-A76 HydrophobicContact CE2-CB 4.16Å; F32-V95 HydrophobicContact CE1-CG1 4.38Å; F32-V95 HydrophobicContact CZ-CG1 4.19Å; F32-F97 HydrophobicContact CD1-CD1 4.35Å; F32-F97 AromaticContact CD1-CE1 3.62Å; F32-F97 HydrophobicContact CD1-CE1 3.62Å; F32-F97 AromaticContact CD2-CE1 3.81Å; F32-F97 HydrophobicContact CD2-CE1 3.81Å; F32-F97 HydrophobicContact CD2-CZ 4.22Å; F32-F97 HydrophobicContact CE1-CD1 4.45Å; F32-F97 AromaticContact CE1-CE1 3.56Å; F32-F97 HydrophobicContact CE1-CE1 3.56Å; F32-F97 HydrophobicContact CE1-CZ 4.22Å; F32-F97 AromaticContact CE2-CE1 3.73Å; F32-F97 HydrophobicContact CE2-CE1 3.73Å; F32-F97 AromaticContact CE2-CZ 3.81Å; F32-F97 HydrophobicContact CE2-CZ 3.81Å; F32-F97 AromaticContact CG-CE1 3.74Å; F32-F97 HydrophobicContact CG-CE1 3.74Å; F32-F97 AromaticContact CZ-CE1 3.6Å; F32-F97 HydrophobicContact CZ-CE1 3.6Å; F32-F97 AromaticContact CZ-CZ 3.8Å; F32-F97 HydrophobicContact CZ-CZ 3.8Å; F32-I125 HydrophobicContact CD1-CD1 4.3Å; F32-I125 HydrophobicContact CE1-CD1 3.86Å
33S60.9Low63.4Low100 Ų10039.4 Ų39.470%0.69923%0.225SC*.Hα-helixtrans-75.1-31.7178.371.10000113.1T29 E30 K31T29-S33 WeakPolarHBondContact O-CB 3.41Å; T29-S33 PolarHBondContact O-N 2.93Å; T29-S33 PolarHBondContact O-OG 3.42Å; E30-S33 WeakPolarHBondContact CA-OG 3.45Å; E30-S33 PolarHBondContact O-N 3.34Å; E30-S33 PolarHBondContact O-OG 2.77Å; K31-S33 VanDerWaalsContact C-N 3.31Å
34A62.8Low62.6Low62 Ų6245.3 Ų45.351%0.51224%0.237SC..Hα-helixtrans-83.2-27.1177.300000112.4E30 K31 N99E30-A34 VanDerWaalsContact O-CB 3.31Å; E30-A34 WeakPolarHBondContact O-CB 3.28Å; E30-A34 PolarHBondContact O-N 2.74Å; K31-A34 PolarHBondContact O-N 2.84Å; A34-N99 PolarHBondContact O-OD1 3.4Å
35A59Low61.9Low14 Ų1444.2 Ų44.212%0.11624%0.243CC..  trans-81.1122.7-179.600000111K31 S37 F97 S98 N99K31-A35 WeakPolarHBondContact O-CB 3.32Å; K31-A35 PolarHBondContact O-N 3.03Å; A35-S37 PolarHBondContact O-N 2.89Å; A35-F97 HydrophobicContact CB-CB 4.02Å; A35-F97 HydrophobicContact CB-CD1 3.99Å; A35-S98 CarbonylContact C-O 3.43Å; A35-S98 WeakPolarHBondContact CA-O 3.21Å; A35-S98 WeakPolarHBondContact CB-O 3.41Å; A35-N99 WeakPolarHBondContact CA-OD1 3.38Å
36A52.3Low61.6Low26 Ų2645.2 Ų45.222%0.21525%0.248CC..SBendtrans-64.5-29.7171.100000111.5S98 V102 E127A36-S98 PolarHBondContact N-O 3.35Å; A36-V102 HydrophobicContact CB-CG2 3.8Å; A36-E127 PolarHBondContact O-N 2.96Å
37S55.2Low61.3Low3 Ų345.6 Ų45.62%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-146.1149172.879.50000113.7A35 S98 V102 I125A35-S37 PolarHBondContact O-N 2.89Å; S37-S98 PolarHBondContact N-O 2.82Å; S37-S98 PolarHBondContact O-N 3.43Å; S37-S98 PolarHBondContact OG-OG 3.06Å; S37-V102 PolarHBondContact OG-O 3.16Å; S37-I125 CarbonylContact C-O 3.58Å; S37-I125 VanDerWaalsContact CA-O 3.24Å; S37-I125 WeakPolarHBondContact CA-O 3.22Å; S37-I125 WeakPolarHBondContact CB-O 3.36Å
38A59.6Low61.4Low3 Ų346.3 Ų46.33%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-132.6114.7175.500000109.5F32 V95 A96 F97 G124 I125F32-A38 HydrophobicContact CD1-CB 3.9Å; F32-A38 HydrophobicContact CE1-CB 3.51Å; A38-V95 HydrophobicContact CB-CG1 3.9Å; A38-A96 WeakPolarHBondContact CA-O 3.34Å; A38-F97 HydrophobicContact CB-CD1 3.99Å; A38-F97 HydrophobicContact CB-CE1 4.18Å; A38-G124 CarbonylContact O-C 3.26Å; A38-G124 WeakPolarHBondContact O-CA 2.9Å; A38-I125 HydrophobicContact CB-CB 4.47Å; A38-I125 PolarHBondContact N-O 2.98Å; A38-I125 PolarHBondContact O-N 3.47Å
39V61.1Low61.6Low4 Ų453.4 Ų53.42%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-101.6134178-1740000109.9V41 V95 A96 P105 I109 I121 I136V39-V41 HydrophobicContact CG1-CG2 4.08Å; V39-V95 WeakPolarHBondContact O-CA 3.42Å; V39-A96 PolarHBondContact N-O 3.19Å; V39-A96 PolarHBondContact O-N 3.34Å; V39-P105 HydrophobicContact CG2-CB 4Å; V39-P105 HydrophobicContact CG2-CG 4.04Å; V39-I109 HydrophobicContact CB-CD1 3.71Å; V39-I109 HydrophobicContact CG1-CD1 3.53Å; V39-I109 HydrophobicContact CG2-CD1 4.39Å; V39-I121 HydrophobicContact CG1-CG2 4.33Å; V39-I136 HydrophobicContact CG1-CG2 4.35Å
40I62Low61.8Low0 Ų055 Ų550%030%0.303CS..EExtended strand (participates in β ladder)trans-105.1118.3-175.8-57168.4000108.7L85 F89 T93 A94 V95 K122 G123I40-L85 HydrophobicContact CD1-CD1 4.27Å; I40-L85 HydrophobicContact CD1-CD2 3.83Å; I40-F89 HydrophobicContact CD1-CD1 4.24Å; I40-F89 HydrophobicContact CD1-CE1 3.36Å; I40-F89 HydrophobicContact CD1-CZ 3.64Å; I40-F89 HydrophobicContact CG1-CE1 4.06Å; I40-F89 HydrophobicContact CG2-CD1 4.47Å; I40-F89 HydrophobicContact CG2-CE1 4.32Å; I40-T93 HydrophobicContact CB-CG2 4.5Å; I40-T93 HydrophobicContact CG2-CG2 3.11Å; I40-A94 WeakPolarHBondContact CA-O 3.49Å; I40-V95 HydrophobicContact CG1-CG2 4.32Å; I40-K122 PolarHBondContact O-N 3.47Å; I40-K122 VanDerWaalsContact O-N 3.16Å; I40-G123 WeakPolarHBondContact CA-O 3.46Å; I40-G123 VanDerWaalsContact CB-O 3.28Å; I40-G123 WeakPolarHBondContact CB-O 2.98Å; I40-G123 PolarHBondContact N-O 3.32Å
41V59.8Low61.9Low13 Ų1350.2 Ų50.28%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-128.1138.9-175-1700000110.9V39 A94 I109 L119V39-V41 HydrophobicContact CG1-CG2 4.08Å; V41-A94 PolarHBondContact N-O 2.92Å; V41-A94 PolarHBondContact O-N 3.02Å; V41-I109 HydrophobicContact CG1-CG2 4.32Å; V41-I109 HydrophobicContact CG2-CD1 3.59Å; V41-I109 HydrophobicContact CG2-CG1 4.12Å; V41-I109 HydrophobicContact CG2-CG2 3.71Å; V41-L119 HydrophobicContact CG1-CD2 3.77Å
42D59.7Low62.2Low8 Ų850.6 Ų50.64%0.04329%0.288CS..EExtended strand (participates in β ladder)trans-85.8118.4166.6-101.133.1000110.7R44 P92 E120 K122D42-R44 VanDerWaalsContact C-N 3.31Å; D42-R44 PolarHBondContact O-N 3.42Å; D42-P92 VanDerWaalsContact OD1-O 3.09Å; D42-E120 HydrophobicContact CB-CB 4.27Å; D42-E120 PolarHBondContact N-O 2.66Å; D42-K122 HydrophobicContact CB-CD 4.47Å; D42-K122 VanDerWaalsContact OD1-CD 3.3Å; D42-K122 WeakPolarHBondContact OD1-CD 3.07Å; D42-K122 WeakPolarHBondContact OD1-CE 3.47Å; D42-K122 IonicContact OD1-NZ 2.71Å; D42-K122 PolarHBondContact OD1-NZ 3.1Å; D42-K122 WeakPolarHBondContact OD2-CE 3.16Å; D42-K122 IonicContact OD2-NZ 2.62Å; D42-K122 PolarHBondContact OD2-NZ 2.75Å
43Y57.8Low62.7Low82 Ų8253 Ų5332%0.32230%0.302SS..  trans-90.116.3-176.147.5-92.3000113.8G45 V67 P92 T93 A94Y43-G45 PolarHBondContact O-N 3.47Å; Y43-V67 HydrophobicContact CE1-CG1 3.88Å; Y43-V67 HydrophobicContact CE1-CG2 4.09Å; Y43-V67 VanDerWaalsContact OH-CG1 3.24Å; Y43-V67 WeakPolarHBondContact OH-CG1 3.42Å; Y43-P92 WeakPolarHBondContact CD1-O 3.4Å; Y43-P92 HydrophobicContact CD2-CB 4.46Å; Y43-P92 HydrophobicContact CE1-CB 4.05Å; Y43-P92 WeakPolarHBondContact CE1-O 3.45Å; Y43-P92 HydrophobicContact CE2-CB 3.67Å; Y43-P92 VanDerWaalsContact CZ-CB 3.43Å; Y43-P92 VanDerWaalsContact OH-CB 3.3Å; Y43-P92 WeakPolarHBondContact OH-CB 3.39Å; Y43-T93 VanDerWaalsContact CE1-C 3.43Å; Y43-A94 HydrophobicContact CD1-CB 3.44Å; Y43-A94 VanDerWaalsContact CD1-CB 3.44Å; Y43-A94 HydrophobicContact CE1-CB 3.8Å
44R54.9Low62.9Low169 Ų16948.7 Ų48.764%0.63827%0.271SS*.THydrogen-bonded Turntrans-70.2125.8-176-84.4-176.4168.2166.86.7110.9D42 P92 K118D42-R44 VanDerWaalsContact C-N 3.31Å; D42-R44 PolarHBondContact O-N 3.42Å; R44-P92 HydrophobicContact CG-CG 3.54Å; R44-P92 VanDerWaalsContact NE-CG 3.32Å; R44-K118 WeakPolarHBondContact O-CB 3.05Å
45G54.2Low63.3Low46 Ų4650.9 Ų50.947%0.47427%0.266SS..THydrogen-bonded Turntrans92.72.817100000115.6Y43Y43-G45 PolarHBondContact O-N 3.47Å
46L61.1Low63.9Low27 Ų2754.8 Ų54.814%0.14128%0.28CS..  trans-73.4136.8168.3-70.1176.9000111.5Q50 V51 L54 A116 L119L46-Q50 HydrophobicContact CB-CB 4.45Å; L46-Q50 HydrophobicContact CD2-CB 3.93Å; L46-V51 HydrophobicContact CB-CG2 3.57Å; L46-V51 HydrophobicContact CD1-CG2 3.88Å; L46-V51 HydrophobicContact CG-CG2 4.43Å; L46-L54 HydrophobicContact CD1-CD1 3.38Å; L46-L54 HydrophobicContact CD2-CD1 4.34Å; L46-L54 HydrophobicContact CG-CD1 4.49Å; L46-A116 HydrophobicContact CD2-CB 3.85Å; L46-L119 HydrophobicContact CD1-CD1 4.19Å; L46-L119 HydrophobicContact CD1-CD2 3.39Å; L46-L119 HydrophobicContact CD1-CG 3.99Å; L46-L119 HydrophobicContact CD2-CD1 3.88Å; L46-L119 HydrophobicContact CD2-CD2 4.12Å; L46-L119 HydrophobicContact CD2-CG 3.76Å; L46-L119 HydrophobicContact CG-CD1 4.46Å; L46-L119 HydrophobicContact CG-CD2 3.8Å; L46-L119 HydrophobicContact CG-CG 4.01Å
47T66Low64.7Low73 Ų7356.6 Ų56.645%0.44828%0.284SS..  trans-73.1156168.258.30000110.2E49 Q50 V51T47-E49 PolarHBondContact O-N 2.75Å; T47-Q50 PolarHBondContact O-N 2.85Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 VanDerWaalsContact OG1-CD 3.3Å; T47-Q50 VanDerWaalsContact OG1-CG 3.28Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.4Å; T47-Q50 PolarHBondContact OG1-OE1 2.75Å; T47-V51 WeakPolarHBondContact O-CG2 3.41Å; T47-V51 PolarHBondContact O-N 3.2Å
48V71.2Confident65.3Low118 Ų11856.6 Ų56.672%0.71528%0.284SS*.Hα-helixtrans-57.2-36.2-179.3-179.70000111.5V51 T52V48-V51 PolarHBondContact O-N 3.36Å; V48-T52 WeakPolarHBondContact O-CB 3.49Å; V48-T52 PolarHBondContact O-N 2.92Å; V48-T52 PolarHBondContact O-OG1 3.37Å
49E72.4Confident65.7Low154 Ų15463.4 Ų63.472%0.7231%0.309SS*.Hα-helixtrans-59.4-51.4174.7-64.6-178.8173.100111.2T47 V51 T52 D53T47-E49 PolarHBondContact O-N 2.75Å; E49-V51 PolarHBondContact O-N 2.92Å; E49-T52 WeakPolarHBondContact O-CA 3.5Å; E49-T52 WeakPolarHBondContact O-CB 3.34Å; E49-T52 PolarHBondContact O-N 3.45Å; E49-D53 PolarHBondContact O-N 3.39Å
50Q68.9Low65.9Low60 Ų6069.5 Ų69.528%0.2834%0.342SS..Hα-helixtrans-60.2-43.4178.1-69.9168-23.500112.3L46 T47 T52 D53 L54L46-Q50 HydrophobicContact CB-CB 4.45Å; L46-Q50 HydrophobicContact CD2-CB 3.93Å; T47-Q50 PolarHBondContact O-N 2.85Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 VanDerWaalsContact OG1-CD 3.3Å; T47-Q50 VanDerWaalsContact OG1-CG 3.28Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.4Å; T47-Q50 PolarHBondContact OG1-OE1 2.75Å; Q50-T52 PolarHBondContact O-N 3.35Å; Q50-D53 PolarHBondContact O-N 2.81Å; Q50-L54 WeakPolarHBondContact O-CB 3.46Å; Q50-L54 WeakPolarHBondContact O-CD1 3.46Å; Q50-L54 WeakPolarHBondContact O-CG 3.28Å; Q50-L54 PolarHBondContact O-N 3.35Å
51V70Confident66Low27 Ų2770.6 Ų70.616%0.16435%0.351CS..Hα-helixtrans-63.7-34.6176-177.10000111.1L46 T47 V48 E49 R55L46-V51 HydrophobicContact CB-CG2 3.57Å; L46-V51 HydrophobicContact CD1-CG2 3.88Å; L46-V51 HydrophobicContact CG-CG2 4.43Å; T47-V51 WeakPolarHBondContact O-CG2 3.41Å; T47-V51 PolarHBondContact O-N 3.2Å; V48-V51 PolarHBondContact O-N 3.36Å; E49-V51 PolarHBondContact O-N 2.92Å; V51-R55 WeakPolarHBondContact O-CB 3.47Å; V51-R55 VanDerWaalsContact O-CG 3.3Å; V51-R55 WeakPolarHBondContact O-CG 3.48Å; V51-R55 PolarHBondContact O-N 3.25Å
52T73.3Confident65.9Low55 Ų5574.8 Ų74.834%0.33737%0.373SS..Hα-helixtrans-71.2-40-179.6-57.60000110.8V48 E49 Q50 R55 K56V48-T52 WeakPolarHBondContact O-CB 3.49Å; V48-T52 PolarHBondContact O-N 2.92Å; V48-T52 PolarHBondContact O-OG1 3.37Å; E49-T52 WeakPolarHBondContact O-CA 3.5Å; E49-T52 WeakPolarHBondContact O-CB 3.34Å; E49-T52 PolarHBondContact O-N 3.45Å; Q50-T52 PolarHBondContact O-N 3.35Å; T52-R55 PolarHBondContact O-N 3.03Å; T52-K56 WeakPolarHBondContact O-CG 3.14Å; T52-K56 PolarHBondContact O-N 2.92Å
53D73.9Confident66.2Low68 Ų6874.6 Ų74.636%0.36437%0.372SS..Hα-helixtrans-72.6-38.6176.3-68.5-21.7000112.1E49 Q50 R55 K56 Q57 F112E49-D53 PolarHBondContact O-N 3.39Å; Q50-D53 PolarHBondContact O-N 2.81Å; D53-R55 VanDerWaalsContact C-N 3.3Å; D53-R55 PolarHBondContact O-N 3.37Å; D53-K56 WeakPolarHBondContact O-CB 3.14Å; D53-K56 PolarHBondContact O-N 3.15Å; D53-K56 VanDerWaalsContact O-N 3.09Å; D53-K56 IonicContact OD1-NZ 2.94Å; D53-K56 PolarHBondContact OD1-NZ 3.09Å; D53-Q57 WeakPolarHBondContact O-CG 3.49Å; D53-Q57 PolarHBondContact O-N 3.28Å; D53-F112 HydrophobicContact CB-CE1 4.42Å; D53-F112 HydrophobicContact CB-CZ 4.12Å
54L66.7Low66.5Low10 Ų1075.4 Ų75.45%0.05238%0.378CS..Hα-helixtrans-53.2-48.7167.8-86.6160.2000111.3L46 Q50 K56 Q57 L58 I108 F112 L119L46-L54 HydrophobicContact CD1-CD1 3.38Å; L46-L54 HydrophobicContact CD2-CD1 4.34Å; L46-L54 HydrophobicContact CG-CD1 4.49Å; Q50-L54 WeakPolarHBondContact O-CB 3.46Å; Q50-L54 WeakPolarHBondContact O-CD1 3.46Å; Q50-L54 WeakPolarHBondContact O-CG 3.28Å; Q50-L54 PolarHBondContact O-N 3.35Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.73Å; L54-Q57 PolarHBondContact O-N 3.36Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.09Å; L54-L58 PolarHBondContact O-N 3.03Å; L54-I108 HydrophobicContact CD2-CG2 4.48Å; L54-F112 HydrophobicContact CB-CE2 4.27Å; L54-F112 HydrophobicContact CB-CZ 4.33Å; L54-F112 HydrophobicContact CD1-CD1 4.36Å; L54-F112 HydrophobicContact CD1-CG 4.44Å; L54-F112 HydrophobicContact CD2-CB 3.68Å; L54-F112 HydrophobicContact CD2-CD1 3.94Å; L54-F112 HydrophobicContact CD2-CD2 3.09Å; L54-F112 HydrophobicContact CD2-CE1 4.32Å; L54-F112 HydrophobicContact CD2-CE2 3.48Å; L54-F112 VanDerWaalsContact CD2-CE2 3.48Å; L54-F112 HydrophobicContact CD2-CG 3.32Å; L54-F112 HydrophobicContact CD2-CZ 4.11Å; L54-F112 HydrophobicContact CG-CB 4.34Å; L54-F112 HydrophobicContact CG-CD1 3.76Å; L54-F112 HydrophobicContact CG-CD2 3.7Å; L54-F112 HydrophobicContact CG-CE1 3.83Å; L54-F112 HydrophobicContact CG-CE2 3.69Å; L54-F112 HydrophobicContact CG-CG 3.7Å; L54-F112 HydrophobicContact CG-CZ 3.79Å; L54-L119 HydrophobicContact CD1-CD1 4.13Å
55R70Confident67Low109 Ų10969.9 Ų69.941%0.41136%0.361SS..Hα-helixtrans-65.1-32.1177.8-76-179.5-178.6128.23.1113V51 T52 D53 R59 M65V51-R55 WeakPolarHBondContact O-CB 3.47Å; V51-R55 VanDerWaalsContact O-CG 3.3Å; V51-R55 WeakPolarHBondContact O-CG 3.48Å; V51-R55 PolarHBondContact O-N 3.25Å; T52-R55 PolarHBondContact O-N 3.03Å; D53-R55 VanDerWaalsContact C-N 3.3Å; D53-R55 PolarHBondContact O-N 3.37Å; R55-R59 WeakPolarHBondContact O-CB 3.3Å; R55-R59 VanDerWaalsContact O-CG 3.24Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.39Å; R55-R59 VanDerWaalsContact O-N 3.09Å; R55-M65 HydrophobicContact CG-CE 3.44Å; R55-M65 VanDerWaalsContact CG-CE 3.44Å
56K71.7Confident67.5Low96 Ų9671.5 Ų71.542%0.41736%0.355SS..Hα-helixtrans-67.1-53.4174.5-71.8171.4-168.4156.40110T52 D53 L54 L58 R59 D60T52-K56 WeakPolarHBondContact O-CG 3.14Å; T52-K56 PolarHBondContact O-N 2.92Å; D53-K56 WeakPolarHBondContact O-CB 3.14Å; D53-K56 PolarHBondContact O-N 3.15Å; D53-K56 VanDerWaalsContact O-N 3.09Å; D53-K56 IonicContact OD1-NZ 2.94Å; D53-K56 PolarHBondContact OD1-NZ 3.09Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.73Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 2.87Å; K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 WeakPolarHBondContact O-CB 3.24Å; K56-R59 PolarHBondContact O-N 3.36Å; K56-D60 PolarHBondContact O-N 2.94Å
57Q68.5Low67.8Low63 Ų6374 Ų7429%0.29437%0.371SS..Hα-helixtrans-61.1-39.8-178.9-66.9-173.114.700112.4D53 L54 D60 A61 I108 F112D53-Q57 WeakPolarHBondContact O-CG 3.49Å; D53-Q57 PolarHBondContact O-N 3.28Å; L54-Q57 PolarHBondContact O-N 3.36Å; Q57-D60 PolarHBondContact O-N 3.4Å; Q57-A61 WeakPolarHBondContact O-CB 3.35Å; Q57-A61 PolarHBondContact O-N 2.92Å; Q57-I108 HydrophobicContact CB-CD1 4.43Å; Q57-I108 HydrophobicContact CB-CG2 3.94Å; Q57-F112 HydrophobicContact CB-CE2 4.13Å; Q57-F112 HydrophobicContact CG-CE2 4.02Å; Q57-F112 HydrophobicContact CG-CZ 4.28Å
58L68.8Low67.7Low3 Ų371.3 Ų71.32%0.01635%0.354CS..Hα-helixtrans-64.7-41174.7-68.6172.9000111.6L54 K56 A61 N62 V63 M65 I108L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.09Å; L54-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 2.87Å; L58-A61 CarbonylContact O-C 3.57Å; L58-A61 PolarHBondContact O-N 3.04Å; L58-N62 PolarHBondContact O-N 3.35Å; L58-V63 CarbonylContact C-O 3.53Å; L58-V63 HydrophobicContact CB-CB 4.15Å; L58-V63 HydrophobicContact CD2-CB 3.99Å; L58-V63 HydrophobicContact CD2-CG1 3.95Å; L58-V63 HydrophobicContact CD2-CG2 4.47Å; L58-V63 WeakPolarHBondContact O-CA 3.47Å; L58-V63 WeakPolarHBondContact O-CB 3.3Å; L58-V63 PolarHBondContact O-N 2.86Å; L58-M65 HydrophobicContact CD1-CB 3.81Å; L58-M65 HydrophobicContact CD1-CE 4.07Å; L58-M65 HydrophobicContact CD1-CG 4.37Å; L58-M65 HydrophobicContact CD1-SD 3.91Å; L58-I108 HydrophobicContact CD2-CB 4.2Å; L58-I108 HydrophobicContact CD2-CD1 4.06Å; L58-I108 HydrophobicContact CD2-CG2 3.92Å; L58-I108 HydrophobicContact CG-CG2 4.2Å
59R67.7Low67.4Low146 Ų14672.9 Ų72.955%0.55135%0.351SS*.Hα-helixtrans-64.7-39.7174.1-78.1-171.4-55.6-101.4-0.7112.7R55 K56 A61 N62R55-R59 WeakPolarHBondContact O-CB 3.3Å; R55-R59 VanDerWaalsContact O-CG 3.24Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.39Å; R55-R59 VanDerWaalsContact O-N 3.09Å; K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 WeakPolarHBondContact O-CB 3.24Å; K56-R59 PolarHBondContact O-N 3.36Å; R59-A61 PolarHBondContact O-N 3.33Å; R59-N62 PolarHBondContact O-N 3.05Å
60D66.2Low67Low132 Ų13267.6 Ų67.671%0.70633%0.328SS*.Hα-helixtrans-65-29.1178.4-62.2-27000111.2K56 Q57K56-D60 PolarHBondContact O-N 2.94Å; Q57-D60 PolarHBondContact O-N 3.4Å
61A62.4Low66.9Low24 Ų2468 Ų6820%0.19834%0.337CS..THydrogen-bonded Turntrans-91.414.3172.800000114.2Q57 L58 R59 V63 A104 I108Q57-A61 WeakPolarHBondContact O-CB 3.35Å; Q57-A61 PolarHBondContact O-N 2.92Å; L58-A61 CarbonylContact O-C 3.57Å; L58-A61 PolarHBondContact O-N 3.04Å; R59-A61 PolarHBondContact O-N 3.33Å; A61-V63 HydrophobicContact CB-CG2 4.07Å; A61-V63 WeakPolarHBondContact O-CG2 3.28Å; A61-V63 PolarHBondContact O-N 3.27Å; A61-V63 VanDerWaalsContact O-N 3.17Å; A61-A104 HydrophobicContact CB-CB 4.12Å; A61-I108 HydrophobicContact CB-CD1 3.54Å
62N59.5Low66.6Low101 Ų10167.5 Ų67.554%0.5433%0.333SS..THydrogen-bonded Turntrans56.129-178.4-61.5-27.4000114.6L58 R59 E100L58-N62 PolarHBondContact O-N 3.35Å; R59-N62 PolarHBondContact O-N 3.05Å; N62-E100 PolarHBondContact ND2-OE2 3.28Å
63V64.4Low66.2Low3 Ų364.9 Ų64.92%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-101.9123.2178-172.50000110.4L58 A61 A96 F97 P105L58-V63 CarbonylContact C-O 3.53Å; L58-V63 HydrophobicContact CB-CB 4.15Å; L58-V63 HydrophobicContact CD2-CB 3.99Å; L58-V63 HydrophobicContact CD2-CG1 3.95Å; L58-V63 HydrophobicContact CD2-CG2 4.47Å; L58-V63 WeakPolarHBondContact O-CA 3.47Å; L58-V63 WeakPolarHBondContact O-CB 3.3Å; L58-V63 PolarHBondContact O-N 2.86Å; A61-V63 HydrophobicContact CB-CG2 4.07Å; A61-V63 WeakPolarHBondContact O-CG2 3.28Å; A61-V63 PolarHBondContact O-N 3.27Å; A61-V63 VanDerWaalsContact O-N 3.17Å; V63-A96 HydrophobicContact CG1-CB 3.89Å; V63-F97 WeakPolarHBondContact CA-O 3.46Å; V63-F97 WeakPolarHBondContact CG1-O 3.24Å; V63-P105 HydrophobicContact CG1-CB 4.1Å; V63-P105 HydrophobicContact CG2-CB 4.43Å
64E65.3Low65.7Low99 Ų9963.2 Ų63.246%0.46331%0.309SS..EExtended strand (participates in β ladder)trans-89.7117.6174.4-73.9-169.8-17300111.1K31 F97K31-E64 IonicContact NZ-OE2 2.69Å; K31-E64 PolarHBondContact NZ-OE2 2.92Å; E64-F97 PolarHBondContact N-O 3.48Å; E64-F97 PolarHBondContact O-N 3.35Å
65M64.6Low65.7Low53 Ų5369.7 Ų69.726%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-95.8119.6170.4-175.3175.15400111.4R55 L58 A94 V95R55-M65 HydrophobicContact CG-CE 3.44Å; R55-M65 VanDerWaalsContact CG-CE 3.44Å; L58-M65 HydrophobicContact CD1-CB 3.81Å; L58-M65 HydrophobicContact CD1-CE 4.07Å; L58-M65 HydrophobicContact CD1-CG 4.37Å; L58-M65 HydrophobicContact CD1-SD 3.91Å; M65-A94 HydrophobicContact CG-CB 4.31Å; M65-A94 HydrophobicContact SD-CB 4.34Å; M65-V95 WeakPolarHBondContact CA-O 3.28Å
66K65.2Low65.4Low80 Ų8064.5 Ų64.535%0.34831%0.313SS..EExtended strand (participates in β ladder)trans-122.2135.3173-68.1-170176.8-166.60110.9K31 I68 V95K31-K66 VanDerWaalsContact CE-NZ 3.35Å; K66-I68 HydrophobicContact CB-CD1 4.16Å; K66-I68 HydrophobicContact CB-CG1 4Å; K66-V95 PolarHBondContact N-O 2.99Å; K66-V95 PolarHBondContact O-N 3.5Å
67V67Low64.9Low81 Ų8160.1 Ų60.149%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-85.3113.5168.1-178.50000107.3Y43 A94Y43-V67 HydrophobicContact CE1-CG1 3.88Å; Y43-V67 HydrophobicContact CE1-CG2 4.09Å; Y43-V67 VanDerWaalsContact OH-CG1 3.24Å; Y43-V67 WeakPolarHBondContact OH-CG1 3.42Å; V67-A94 HydrophobicContact CG2-CB 4.17Å
68I64.7Low64.7Low15 Ų1561.8 Ų61.88%0.07730%0.303CS..  trans-119.2141.7-176.1-57.7163.8000107.9V28 K66 N70 I72 L73 F97V28-I68 HydrophobicContact CG1-CD1 3.99Å; V28-I68 HydrophobicContact CG2-CD1 3.67Å; V28-I68 HydrophobicContact CG2-CG1 4.35Å; V28-I68 HydrophobicContact CG2-CG2 4.28Å; K66-I68 HydrophobicContact CB-CD1 4.16Å; K66-I68 HydrophobicContact CB-CG1 4Å; I68-N70 PolarHBondContact O-N 3.2Å; I68-I72 HydrophobicContact CG2-CB 3.81Å; I68-I72 HydrophobicContact CG2-CG2 3.7Å; I68-L73 HydrophobicContact CB-CD1 4.22Å; I68-L73 HydrophobicContact CB-CD2 3.8Å; I68-L73 HydrophobicContact CB-CG 3.89Å; I68-L73 HydrophobicContact CD1-CD2 3.84Å; I68-L73 HydrophobicContact CG1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 3.82Å; I68-L73 HydrophobicContact CG2-CG 3.8Å; I68-F97 HydrophobicContact CD1-CE2 3.77Å; I68-F97 HydrophobicContact CD1-CZ 3.9Å
69K63.8Low64.3Low152 Ų15267.6 Ų67.666%0.66133%0.328SS*.  trans-63.2135.4176.2-71.4-178.1178.7178.40110.2S71 I72 L73K69-S71 PolarHBondContact O-N 3.28Å; K69-S71 VanDerWaalsContact O-N 3.11Å; K69-I72 HydrophobicContact CB-CD1 4.21Å; K69-I72 HydrophobicContact CB-CG1 4.31Å; K69-I72 WeakPolarHBondContact O-CA 3.26Å; K69-I72 WeakPolarHBondContact O-CB 3.34Å; K69-I72 PolarHBondContact O-N 2.87Å; K69-L73 PolarHBondContact O-N 2.91Å
70N64.9Low63.9Low43 Ų4362.8 Ų62.823%0.2332%0.32CS..Hα-helixtrans-52.9-39.2-177.1-57.25.1000113.1I68 I72 L73 V74 F89 G91 T93I68-N70 PolarHBondContact O-N 3.2Å; N70-I72 PolarHBondContact O-N 2.86Å; N70-L73 PolarHBondContact O-N 3.46Å; N70-L73 VanDerWaalsContact O-N 3.11Å; N70-V74 WeakPolarHBondContact O-CG2 3.46Å; N70-V74 PolarHBondContact O-N 3.07Å; N70-F89 HydrophobicContact CB-CB 4.37Å; N70-F89 WeakPolarHBondContact CB-O 3.48Å; N70-F89 VanDerWaalsContact CG-O 3.24Å; N70-F89 PolarHBondContact ND2-O 3.02Å; N70-G91 PolarHBondContact ND2-N 3.39Å; N70-G91 PolarHBondContact ND2-O 3.17Å; N70-G91 PolarHBondContact OD1-O 2.75Å; N70-G91 VanDerWaalsContact OD1-O 3.1Å; N70-T93 PolarHBondContact OD1-OG1 2.7Å
71S65.7Low63.3Low69 Ų6959.1 Ų59.148%0.48331%0.313SS..Hα-helixtrans-62.3-27.1177.666.50000114K69 R75K69-S71 PolarHBondContact O-N 3.28Å; K69-S71 VanDerWaalsContact O-N 3.11Å; S71-R75 WeakPolarHBondContact O-CD 3.24Å; S71-R75 VanDerWaalsContact O-CG 3.27Å; S71-R75 WeakPolarHBondContact O-CG 3.2Å
72I65.5Low63Low15 Ų1559 Ų598%0.07731%0.309CS..Hα-helixtrans-80.5-41.5176-61.4177.1000109I24 V25 V28 I68 K69 N70 R75 A76I24-I72 HydrophobicContact CB-CD1 4.35Å; I24-I72 HydrophobicContact CG2-CD1 3.8Å; I24-I72 HydrophobicContact CG2-CG2 4.03Å; V25-I72 HydrophobicContact CB-CG2 4.48Å; V25-I72 HydrophobicContact CG2-CB 4.32Å; V25-I72 HydrophobicContact CG2-CG1 4.44Å; V25-I72 HydrophobicContact CG2-CG2 3.74Å; V28-I72 HydrophobicContact CG2-CG2 4.3Å; I68-I72 HydrophobicContact CG2-CB 3.81Å; I68-I72 HydrophobicContact CG2-CG2 3.7Å; K69-I72 HydrophobicContact CB-CD1 4.21Å; K69-I72 HydrophobicContact CB-CG1 4.31Å; K69-I72 WeakPolarHBondContact O-CA 3.26Å; K69-I72 WeakPolarHBondContact O-CB 3.34Å; K69-I72 PolarHBondContact O-N 2.87Å; N70-I72 PolarHBondContact O-N 2.86Å; I72-R75 PolarHBondContact O-N 3.31Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.38Å; I72-A76 PolarHBondContact O-N 3.45Å
73L64Low62.4Low0 Ų060.1 Ų60.10%032%0.315CS..Hα-helixtrans-62.8-44.7177.3-68.7175.4000112.4V28 F32 I68 K69 N70 R75 A76 A77 F89 T93 V95V28-L73 HydrophobicContact CG1-CD2 4.3Å; F32-L73 HydrophobicContact CE2-CD2 3.95Å; F32-L73 HydrophobicContact CZ-CD2 4.05Å; I68-L73 HydrophobicContact CB-CD1 4.22Å; I68-L73 HydrophobicContact CB-CD2 3.8Å; I68-L73 HydrophobicContact CB-CG 3.89Å; I68-L73 HydrophobicContact CD1-CD2 3.84Å; I68-L73 HydrophobicContact CG1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 3.82Å; I68-L73 HydrophobicContact CG2-CG 3.8Å; K69-L73 PolarHBondContact O-N 2.91Å; N70-L73 PolarHBondContact O-N 3.46Å; N70-L73 VanDerWaalsContact O-N 3.11Å; L73-R75 PolarHBondContact O-N 2.76Å; L73-A76 PolarHBondContact O-N 3.44Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.39Å; L73-A77 PolarHBondContact O-N 3.36Å; L73-F89 HydrophobicContact CB-CD1 3.89Å; L73-F89 HydrophobicContact CB-CD2 4.41Å; L73-F89 HydrophobicContact CB-CE1 3.72Å; L73-F89 HydrophobicContact CB-CE2 4.26Å; L73-F89 HydrophobicContact CB-CG 4.24Å; L73-F89 HydrophobicContact CB-CZ 3.93Å; L73-F89 HydrophobicContact CD1-CD1 3.75Å; L73-F89 HydrophobicContact CD1-CE1 3.71Å; L73-F89 HydrophobicContact CG-CD1 4.45Å; L73-F89 HydrophobicContact CG-CE1 4.2Å; L73-T93 HydrophobicContact CD1-CG2 3.85Å; L73-V95 HydrophobicContact CD1-CG2 3.7Å; L73-V95 HydrophobicContact CD2-CG2 3.7Å; L73-V95 HydrophobicContact CG-CG2 4.38Å
74V63.9Low61.7Low33 Ų3362.3 Ų62.320%0.234%0.338CS..Hα-helixtrans-57.7-51175.6171.40000110.4N70 A76 A77 E78 E86 F89N70-V74 WeakPolarHBondContact O-CG2 3.46Å; N70-V74 PolarHBondContact O-N 3.07Å; V74-A76 VanDerWaalsContact C-N 3.32Å; V74-A76 PolarHBondContact O-N 3.03Å; V74-A77 PolarHBondContact O-N 3.08Å; V74-E78 WeakPolarHBondContact CG1-OE1 3.37Å; V74-E78 WeakPolarHBondContact O-CB 3.33Å; V74-E78 WeakPolarHBondContact O-CG 3.3Å; V74-E78 PolarHBondContact O-N 3.21Å; V74-E86 HydrophobicContact CG1-CG 4.28Å; V74-F89 HydrophobicContact CG2-CB 4.11Å; V74-F89 HydrophobicContact CG2-CD2 3.89Å; V74-F89 HydrophobicContact CG2-CG 4.35Å
75R66.3Low61.1Low146 Ų14657.7 Ų57.755%0.55132%0.316SS*.Hα-helixtrans-63.2-36.1178.1-70.5175.4-176.8-164.9-2.6113.2V25 S71 I72 L73 K79V25-R75 HydrophobicContact CG1-CB 4.28Å; V25-R75 HydrophobicContact CG2-CB 4.29Å; S71-R75 WeakPolarHBondContact O-CD 3.24Å; S71-R75 VanDerWaalsContact O-CG 3.27Å; S71-R75 WeakPolarHBondContact O-CG 3.2Å; I72-R75 PolarHBondContact O-N 3.31Å; L73-R75 PolarHBondContact O-N 2.76Å; R75-K79 WeakPolarHBondContact O-CB 3.19Å; R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 2.91Å; R75-K79 VanDerWaalsContact O-N 3.08Å
76A62.9Low60.3Low0 Ų060.6 Ų60.60%033%0.329CS..Hα-helixtrans-72.2-38.6177.700000111.7V28 T29 F32 I72 L73 V74 K79 A80V28-A76 HydrophobicContact CB-CB 4.34Å; V28-A76 HydrophobicContact CG1-CB 3.7Å; T29-A76 HydrophobicContact CG2-CB 3.74Å; F32-A76 HydrophobicContact CD2-CB 4.1Å; F32-A76 HydrophobicContact CE2-CB 4.16Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.38Å; I72-A76 PolarHBondContact O-N 3.45Å; L73-A76 PolarHBondContact O-N 3.44Å; V74-A76 VanDerWaalsContact C-N 3.32Å; V74-A76 PolarHBondContact O-N 3.03Å; A76-K79 PolarHBondContact O-N 2.92Å; A76-A80 VanDerWaalsContact O-CB 3.28Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.26Å
77A62.7Low59.6Low4 Ų465.2 Ų65.23%0.03335%0.352CS..Hα-helixtrans-66.5-43.8175.500000111.7L73 V74 K79 A80 G81 L82 F89L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.39Å; L73-A77 PolarHBondContact O-N 3.36Å; V74-A77 PolarHBondContact O-N 3.08Å; A77-K79 PolarHBondContact O-N 3.47Å; A77-A80 CarbonylContact O-C 3.59Å; A77-A80 PolarHBondContact O-N 2.94Å; A77-G81 PolarHBondContact O-N 3.12Å; A77-G81 VanDerWaalsContact O-N 3.11Å; A77-L82 HydrophobicContact CB-CB 4.5Å; A77-L82 PolarHBondContact O-N 2.99Å; A77-F89 HydrophobicContact CB-CE2 4.05Å
78E63.7Low59Low99 Ų9962.9 Ų62.946%0.46334%0.338SS..Hα-helixtrans-56.9-48.5172.2-74.7171.2-167.900111.1V74 A80 G81V74-E78 WeakPolarHBondContact CG1-OE1 3.37Å; V74-E78 WeakPolarHBondContact O-CB 3.33Å; V74-E78 WeakPolarHBondContact O-CG 3.3Å; V74-E78 PolarHBondContact O-N 3.21Å; E78-A80 VanDerWaalsContact C-N 3.31Å; E78-A80 PolarHBondContact O-N 3.38Å; E78-G81 PolarHBondContact O-N 3.44Å; E78-G81 VanDerWaalsContact O-N 3.11Å
79K59.9Low58.3Low124 Ų12462.6 Ų62.654%0.53934%0.336SS..Hα-helixtrans-63.2-35.8177.1-80.3-175.5175.5-166.70112.9V25 D26 T29 R75 A76 A77 G81V25-K79 HydrophobicContact CG1-CD 3.9Å; D26-K79 IonicContact OD1-NZ 2.66Å; D26-K79 PolarHBondContact OD1-NZ 3.5Å; T29-K79 HydrophobicContact CG2-CB 3.77Å; T29-K79 HydrophobicContact CG2-CD 3.85Å; T29-K79 HydrophobicContact CG2-CG 4.48Å; R75-K79 WeakPolarHBondContact O-CB 3.19Å; R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 2.91Å; R75-K79 VanDerWaalsContact O-N 3.08Å; A76-K79 PolarHBondContact O-N 2.92Å; A77-K79 PolarHBondContact O-N 3.47Å; K79-G81 PolarHBondContact O-N 2.67Å
80A59.4Low57.3Low46 Ų4659.2 Ų59.238%0.3833%0.331SS..THydrogen-bonded Turntrans-77-4.1177.100000113.2A76 A77 E78 L82A76-A80 VanDerWaalsContact O-CB 3.28Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.26Å; A77-A80 CarbonylContact O-C 3.59Å; A77-A80 PolarHBondContact O-N 2.94Å; E78-A80 VanDerWaalsContact C-N 3.31Å; E78-A80 PolarHBondContact O-N 3.38Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 HydrophobicContact CB-CD1 3.71Å; A80-L82 HydrophobicContact CB-CG 4.02Å
81G54.6Low56.8Low54 Ų5458.7 Ų58.756%0.55734%0.336SS*.THydrogen-bonded Turntrans75.917.5-178.700000114.1A77 E78 K79 N83A77-G81 PolarHBondContact O-N 3.12Å; A77-G81 VanDerWaalsContact O-N 3.11Å; E78-G81 PolarHBondContact O-N 3.44Å; E78-G81 VanDerWaalsContact O-N 3.11Å; K79-G81 PolarHBondContact O-N 2.67Å; G81-N83 PolarHBondContact O-N 2.89Å
82L54.3Low56.2Low21 Ų2156.5 Ų56.511%0.1132%0.32CS..  trans-97.166.6-175.2-58.8166.9000109.5A77 A80 G84 I125 G128A77-L82 HydrophobicContact CB-CB 4.5Å; A77-L82 PolarHBondContact O-N 2.99Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 HydrophobicContact CB-CD1 3.71Å; A80-L82 HydrophobicContact CB-CG 4.02Å; L82-G84 PolarHBondContact O-N 3.38Å; L82-I125 HydrophobicContact CD1-CD1 3.67Å; L82-I125 HydrophobicContact CD1-CG2 3.91Å; L82-I125 HydrophobicContact CD2-CG2 4.03Å; L82-G128 WeakPolarHBondContact CD2-O 3.44Å
83N48Very low56Low126 Ų12655.8 Ų55.867%0.67432%0.317SS*.THydrogen-bonded Turntrans-76.5106.8-179.2-62.7-18.2000109.6G81G81-N83 PolarHBondContact O-N 2.89Å
84G49.7Very low55.7Low48 Ų4856 Ų5650%0.49532%0.318SS..THydrogen-bonded Turntrans158.1-6.3177.900000115.4L82L82-G84 PolarHBondContact O-N 3.38Å
85L51.6Low55.5Low2 Ų254.4 Ų54.41%0.0131%0.309CS..  trans-103.3-2-177.3-67.5160.9000114.4I40 E87 V88 F89 I125 V130I40-L85 HydrophobicContact CD1-CD1 4.27Å; I40-L85 HydrophobicContact CD1-CD2 3.83Å; L85-E87 PolarHBondContact O-N 3.39Å; L85-E87 VanDerWaalsContact O-N 3.16Å; L85-V88 HydrophobicContact CD2-CB 4.22Å; L85-V88 HydrophobicContact CD2-CG2 4.04Å; L85-V88 WeakPolarHBondContact O-CB 3.32Å; L85-V88 PolarHBondContact O-N 3.33Å; L85-F89 HydrophobicContact CB-CD2 3.88Å; L85-F89 HydrophobicContact CB-CE2 3.31Å; L85-F89 HydrophobicContact CB-CZ 3.85Å; L85-F89 HydrophobicContact CD1-CE2 4.28Å; L85-F89 HydrophobicContact CD1-CZ 4.16Å; L85-F89 HydrophobicContact CG-CE2 4.42Å; L85-F89 WeakPolarHBondContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CG 3.42Å; L85-F89 PolarHBondContact O-N 3.32Å; L85-F89 VanDerWaalsContact O-N 3.07Å; L85-I125 HydrophobicContact CD1-CD1 3.09Å; L85-I125 HydrophobicContact CD1-CG1 3.37Å; L85-V130 HydrophobicContact CD1-CG2 4.33Å; L85-V130 HydrophobicContact CD2-CG1 3.8Å; L85-V130 HydrophobicContact CD2-CG2 4.5Å; L85-V130 HydrophobicContact CG-CG1 4.22Å; L85-V130 HydrophobicContact CG-CG2 4.07Å
86E49.2Very low55.2Low115 Ų11547.6 Ų47.654%0.53728%0.284SS..THydrogen-bonded Turntrans-52.9-38.8-179.3-68.4179.1-156.200112.1V74V74-E86 HydrophobicContact CG1-CG 4.28Å
87E50.7Low55.1Low176 Ų17647.9 Ų47.982%0.82229%0.285SS*.THydrogen-bonded Turntrans-73.8-31.6179-60.5-173.3169.600112.7L85L85-E87 PolarHBondContact O-N 3.39Å; L85-E87 VanDerWaalsContact O-N 3.16Å
88V52.7Low54.7Low32 Ų3247.7 Ų47.719%0.19428%0.284CS..THydrogen-bonded Turntrans-74.1-30-178.9-171.10000110.9L85 S90 K122L85-V88 HydrophobicContact CD2-CB 4.22Å; L85-V88 HydrophobicContact CD2-CG2 4.04Å; L85-V88 WeakPolarHBondContact O-CB 3.32Å; L85-V88 PolarHBondContact O-N 3.33Å; V88-S90 PolarHBondContact O-N 3.09Å; V88-K122 HydrophobicContact CG1-CB 3.49Å; V88-K122 VanDerWaalsContact CG1-CB 3.49Å; V88-K122 WeakPolarHBondContact CG1-O 3.31Å
89F51.4Low54.3Low9 Ų947.2 Ų47.24%0.03928%0.284CS..THydrogen-bonded Turntrans-78.236.1177.8-62.4-56.6000114.1I40 N70 L73 V74 A77 L85 T93I40-F89 HydrophobicContact CD1-CD1 4.24Å; I40-F89 HydrophobicContact CD1-CE1 3.36Å; I40-F89 HydrophobicContact CD1-CZ 3.64Å; I40-F89 HydrophobicContact CG1-CE1 4.06Å; I40-F89 HydrophobicContact CG2-CD1 4.47Å; I40-F89 HydrophobicContact CG2-CE1 4.32Å; N70-F89 HydrophobicContact CB-CB 4.37Å; N70-F89 WeakPolarHBondContact CB-O 3.48Å; N70-F89 VanDerWaalsContact CG-O 3.24Å; N70-F89 PolarHBondContact ND2-O 3.02Å; L73-F89 HydrophobicContact CB-CD1 3.89Å; L73-F89 HydrophobicContact CB-CD2 4.41Å; L73-F89 HydrophobicContact CB-CE1 3.72Å; L73-F89 HydrophobicContact CB-CE2 4.26Å; L73-F89 HydrophobicContact CB-CG 4.24Å; L73-F89 HydrophobicContact CB-CZ 3.93Å; L73-F89 HydrophobicContact CD1-CD1 3.75Å; L73-F89 HydrophobicContact CD1-CE1 3.71Å; L73-F89 HydrophobicContact CG-CD1 4.45Å; L73-F89 HydrophobicContact CG-CE1 4.2Å; V74-F89 HydrophobicContact CG2-CB 4.11Å; V74-F89 HydrophobicContact CG2-CD2 3.89Å; V74-F89 HydrophobicContact CG2-CG 4.35Å; A77-F89 HydrophobicContact CB-CE2 4.05Å; L85-F89 HydrophobicContact CB-CD2 3.88Å; L85-F89 HydrophobicContact CB-CE2 3.31Å; L85-F89 HydrophobicContact CB-CZ 3.85Å; L85-F89 HydrophobicContact CD1-CE2 4.28Å; L85-F89 HydrophobicContact CD1-CZ 4.16Å; L85-F89 HydrophobicContact CG-CE2 4.42Å; L85-F89 WeakPolarHBondContact O-CD2 3.22Å; L85-F89 WeakPolarHBondContact O-CG 3.42Å; L85-F89 PolarHBondContact O-N 3.32Å; L85-F89 VanDerWaalsContact O-N 3.07Å; F89-T93 HydrophobicContact CD1-CG2 3.93Å; F89-T93 HydrophobicContact CE1-CG2 4.36Å
90S43Very low54Low81 Ų8147.7 Ų47.757%0.56629%0.288SS*.  trans-102116.6170.7730000110.7V88 K122V88-S90 PolarHBondContact O-N 3.09Å; S90-K122 PolarHBondContact O-NZ 3.06Å
91G53.1Low53.8Low32 Ų3250 Ų5033%0.3329%0.294SS..SBendtrans110.2-172.4-178.900000115.2N70 T93N70-G91 PolarHBondContact ND2-N 3.39Å; N70-G91 PolarHBondContact ND2-O 3.17Å; N70-G91 PolarHBondContact OD1-O 2.75Å; N70-G91 VanDerWaalsContact OD1-O 3.1Å; G91-T93 PolarHBondContact O-N 3.23Å; G91-T93 VanDerWaalsContact O-N 3.09Å; G91-T93 PolarHBondContact O-OG1 2.66Å; G91-T93 VanDerWaalsContact O-OG1 3.06Å
92P53.3Low54Low23 Ų2348.9 Ų48.915%0.14928%0.276CS..SBendtrans-74.597.3-178.830-33.4000111.8D42 Y43 R44D42-P92 VanDerWaalsContact OD1-O 3.09Å; Y43-P92 WeakPolarHBondContact CD1-O 3.4Å; Y43-P92 HydrophobicContact CD2-CB 4.46Å; Y43-P92 HydrophobicContact CE1-CB 4.05Å; Y43-P92 WeakPolarHBondContact CE1-O 3.45Å; Y43-P92 HydrophobicContact CE2-CB 3.67Å; Y43-P92 VanDerWaalsContact CZ-CB 3.43Å; Y43-P92 VanDerWaalsContact OH-CB 3.3Å; Y43-P92 WeakPolarHBondContact OH-CB 3.39Å; R44-P92 HydrophobicContact CG-CG 3.54Å; R44-P92 VanDerWaalsContact NE-CG 3.32Å
93T61.5Low54.3Low1 Ų149.5 Ų49.51%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-99.7122.1-170.3-41.50000112.4I40 Y43 N70 L73 F89 G91 V95I40-T93 HydrophobicContact CB-CG2 4.5Å; I40-T93 HydrophobicContact CG2-CG2 3.11Å; Y43-T93 VanDerWaalsContact CE1-C 3.43Å; N70-T93 PolarHBondContact OD1-OG1 2.7Å; L73-T93 HydrophobicContact CD1-CG2 3.85Å; F89-T93 HydrophobicContact CD1-CG2 3.93Å; F89-T93 HydrophobicContact CE1-CG2 4.36Å; G91-T93 PolarHBondContact O-N 3.23Å; G91-T93 VanDerWaalsContact O-N 3.09Å; G91-T93 PolarHBondContact O-OG1 2.66Å; G91-T93 VanDerWaalsContact O-OG1 3.06Å; T93-V95 HydrophobicContact CG2-CG2 4.48Å
94A57.4Low54.7Low3 Ų344.3 Ų44.33%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-105.6139166.100000109.1I40 V41 Y43 M65 V67I40-A94 WeakPolarHBondContact CA-O 3.49Å; V41-A94 PolarHBondContact N-O 2.92Å; V41-A94 PolarHBondContact O-N 3.02Å; Y43-A94 HydrophobicContact CD1-CB 3.44Å; Y43-A94 VanDerWaalsContact CD1-CB 3.44Å; Y43-A94 HydrophobicContact CE1-CB 3.8Å; M65-A94 HydrophobicContact CG-CB 4.31Å; M65-A94 HydrophobicContact SD-CB 4.34Å; V67-A94 HydrophobicContact CG2-CB 4.17Å
95V61.1Low55Low0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-114.7123.8176.2-172.70000108.5F32 A38 V39 I40 M65 K66 L73 T93 F97F32-V95 HydrophobicContact CE1-CG1 4.38Å; F32-V95 HydrophobicContact CZ-CG1 4.19Å; A38-V95 HydrophobicContact CB-CG1 3.9Å; V39-V95 WeakPolarHBondContact O-CA 3.42Å; I40-V95 HydrophobicContact CG1-CG2 4.32Å; M65-V95 WeakPolarHBondContact CA-O 3.28Å; K66-V95 PolarHBondContact N-O 2.99Å; K66-V95 PolarHBondContact O-N 3.5Å; L73-V95 HydrophobicContact CD1-CG2 3.7Å; L73-V95 HydrophobicContact CD2-CG2 3.7Å; L73-V95 HydrophobicContact CG-CG2 4.38Å; T93-V95 HydrophobicContact CG2-CG2 4.48Å; V95-F97 HydrophobicContact CB-CD2 4.4Å; V95-F97 HydrophobicContact CB-CE2 3.71Å; V95-F97 HydrophobicContact CB-CZ 3.86Å; V95-F97 HydrophobicContact CG1-CD1 4.19Å; V95-F97 HydrophobicContact CG1-CD2 4.06Å; V95-F97 HydrophobicContact CG1-CE1 3.75Å; V95-F97 HydrophobicContact CG1-CE2 3.59Å; V95-F97 HydrophobicContact CG1-CG 4.34Å; V95-F97 HydrophobicContact CG1-CZ 3.43Å; V95-F97 VanDerWaalsContact CG1-CZ 3.43Å
96A59.1Low55.2Low3 Ų342 Ų423%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-98.4113171.500000108.4A38 V39 V63 I109A38-A96 WeakPolarHBondContact CA-O 3.34Å; V39-A96 PolarHBondContact N-O 3.19Å; V39-A96 PolarHBondContact O-N 3.34Å; V63-A96 HydrophobicContact CG1-CB 3.89Å; A96-I109 HydrophobicContact CB-CD1 4.33Å
97F59.8Low55.7Low6 Ų637.5 Ų37.53%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-97.3124.1179.8-62-87.6000109.4V28 K31 F32 A35 A38 V63 E64 I68 V95V28-F97 HydrophobicContact CG1-CZ 4.44Å; K31-F97 HydrophobicContact CB-CD1 4.34Å; K31-F97 HydrophobicContact CB-CE1 4.34Å; F32-F97 HydrophobicContact CD1-CD1 4.35Å; F32-F97 AromaticContact CD1-CE1 3.62Å; F32-F97 HydrophobicContact CD1-CE1 3.62Å; F32-F97 AromaticContact CD2-CE1 3.81Å; F32-F97 HydrophobicContact CD2-CE1 3.81Å; F32-F97 HydrophobicContact CD2-CZ 4.22Å; F32-F97 HydrophobicContact CE1-CD1 4.45Å; F32-F97 AromaticContact CE1-CE1 3.56Å; F32-F97 HydrophobicContact CE1-CE1 3.56Å; F32-F97 HydrophobicContact CE1-CZ 4.22Å; F32-F97 AromaticContact CE2-CE1 3.73Å; F32-F97 HydrophobicContact CE2-CE1 3.73Å; F32-F97 AromaticContact CE2-CZ 3.81Å; F32-F97 HydrophobicContact CE2-CZ 3.81Å; F32-F97 AromaticContact CG-CE1 3.74Å; F32-F97 HydrophobicContact CG-CE1 3.74Å; F32-F97 AromaticContact CZ-CE1 3.6Å; F32-F97 HydrophobicContact CZ-CE1 3.6Å; F32-F97 AromaticContact CZ-CZ 3.8Å; F32-F97 HydrophobicContact CZ-CZ 3.8Å; A35-F97 HydrophobicContact CB-CB 4.02Å; A35-F97 HydrophobicContact CB-CD1 3.99Å; A38-F97 HydrophobicContact CB-CD1 3.99Å; A38-F97 HydrophobicContact CB-CE1 4.18Å; V63-F97 WeakPolarHBondContact CA-O 3.46Å; V63-F97 WeakPolarHBondContact CG1-O 3.24Å; E64-F97 PolarHBondContact N-O 3.48Å; E64-F97 PolarHBondContact O-N 3.35Å; I68-F97 HydrophobicContact CD1-CE2 3.77Å; I68-F97 HydrophobicContact CD1-CZ 3.9Å; V95-F97 HydrophobicContact CB-CD2 4.4Å; V95-F97 HydrophobicContact CB-CE2 3.71Å; V95-F97 HydrophobicContact CB-CZ 3.86Å; V95-F97 HydrophobicContact CG1-CD1 4.19Å; V95-F97 HydrophobicContact CG1-CD2 4.06Å; V95-F97 HydrophobicContact CG1-CE1 3.75Å; V95-F97 HydrophobicContact CG1-CE2 3.59Å; V95-F97 HydrophobicContact CG1-CG 4.34Å; V95-F97 HydrophobicContact CG1-CZ 3.43Å; V95-F97 VanDerWaalsContact CG1-CZ 3.43Å
98S55.9Low56.2Low1 Ų130 Ų301%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-114.4128.3169.770.90000110.5A35 A36 S37 D101A35-S98 CarbonylContact C-O 3.43Å; A35-S98 WeakPolarHBondContact CA-O 3.21Å; A35-S98 WeakPolarHBondContact CB-O 3.41Å; A36-S98 PolarHBondContact N-O 3.35Å; S37-S98 PolarHBondContact N-O 2.82Å; S37-S98 PolarHBondContact O-N 3.43Å; S37-S98 PolarHBondContact OG-OG 3.06Å; S98-D101 WeakPolarHBondContact CB-O 3.48Å; S98-D101 PolarHBondContact OG-O 3.43Å
99N54.9Low56.5Low89 Ų8928.7 Ų28.748%0.47617%0.168SC..SBendtrans-89.6-32.9178.4-63.3-17.5000112A34 A35A34-N99 PolarHBondContact O-OD1 3.4Å; A35-N99 WeakPolarHBondContact CA-OD1 3.38Å
100E53.9Low56.9Low133 Ų13329.9 Ų29.962%0.62118%0.175SC*.SBendtrans-103.7-50.4-170.7-63179.9160.300112N62N62-E100 PolarHBondContact ND2-OE2 3.28Å
101D55.6Low57.9Low95 Ų9530.3 Ų30.351%0.50817%0.168SC..  trans-112.4110.6-174.3-78-34.5000112S98 V103 A104 P105S98-D101 WeakPolarHBondContact CB-O 3.48Å; S98-D101 PolarHBondContact OG-O 3.43Å; D101-V103 PolarHBondContact O-N 2.94Å; D101-A104 HydrophobicContact CB-CB 3.55Å; D101-P105 WeakPolarHBondContact O-CD 3.08Å
102V58.6Low58.1Low30 Ų3029.5 Ų29.518%0.18216%0.155CC..SBendtrans-61.1-32.6175.9173.50000112.1A36 S37 I126 E127A36-V102 HydrophobicContact CB-CG2 3.8Å; S37-V102 PolarHBondContact OG-O 3.16Å; V102-I126 HydrophobicContact CG1-CB 4.33Å; V102-I126 HydrophobicContact CG1-CD1 4.13Å; V102-I126 HydrophobicContact CG1-CG1 4.16Å; V102-I126 HydrophobicContact CG1-CG2 3.34Å; V102-E127 HydrophobicContact CG2-CG 4.47Å
103V59.1Low58.3Low35 Ų3529.5 Ų29.521%0.21216%0.157CC..SBendtrans-95.9-26.1-170.2-159.60000112.3D101 A106 K107 L139 L142D101-V103 PolarHBondContact O-N 2.94Å; V103-A106 PolarHBondContact O-N 3.3Å; V103-K107 HydrophobicContact CG1-CD 4.34Å; V103-K107 HydrophobicContact CG1-CG 4.19Å; V103-K107 WeakPolarHBondContact O-CG 3.3Å; V103-K107 PolarHBondContact O-N 2.95Å; V103-K107 VanDerWaalsContact O-N 3.12Å; V103-L139 WeakPolarHBondContact CG1-O 3.35Å; V103-L142 HydrophobicContact CG1-CB 4.12Å; V103-L142 HydrophobicContact CG1-CD1 4.3Å
104A56.9Low58.2Low16 Ų1633.6 Ų33.613%0.13219%0.186CC..Hα-helixtrans-55.3-46.6-177.700000114.4A61 D101 A106 K107 I108A61-A104 HydrophobicContact CB-CB 4.12Å; D101-A104 HydrophobicContact CB-CB 3.55Å; A104-A106 PolarHBondContact O-N 2.97Å; A104-K107 PolarHBondContact O-N 2.68Å; A104-I108 WeakPolarHBondContact O-CG1 3.3Å; A104-I108 PolarHBondContact O-N 2.95Å; A104-I108 VanDerWaalsContact O-N 3.15Å
105P55.3Low58.1Low0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-64.9-43.2178.924.1-32.2000111.5V39 V63 D101 K107 I108 I109V39-P105 HydrophobicContact CG2-CB 4Å; V39-P105 HydrophobicContact CG2-CG 4.04Å; V63-P105 HydrophobicContact CG1-CB 4.1Å; V63-P105 HydrophobicContact CG2-CB 4.43Å; D101-P105 WeakPolarHBondContact O-CD 3.08Å; P105-K107 VanDerWaalsContact C-N 3.32Å; P105-K107 PolarHBondContact O-N 3.4Å; P105-I108 PolarHBondContact O-N 2.92Å; P105-I109 HydrophobicContact CB-CD1 4.31Å; P105-I109 VanDerWaalsContact O-CB 3.3Å; P105-I109 WeakPolarHBondContact O-CB 3.08Å; P105-I109 VanDerWaalsContact O-CD1 3.26Å; P105-I109 WeakPolarHBondContact O-CD1 3.33Å; P105-I109 WeakPolarHBondContact O-CG1 3.39Å; P105-I109 PolarHBondContact O-N 2.62Å
106A57.1Low57.7Low2 Ų240.6 Ų40.62%0.01722%0.218CC..Hα-helixtrans-58-45.1-179.200000111.3V103 A104 I109 D110 I136 A140V103-A106 PolarHBondContact O-N 3.3Å; A104-A106 PolarHBondContact O-N 2.97Å; A106-I109 PolarHBondContact O-N 2.71Å; A106-D110 WeakPolarHBondContact O-CB 3.24Å; A106-D110 PolarHBondContact O-N 2.65Å; A106-I136 HydrophobicContact CB-CG2 4.01Å; A106-A140 VanDerWaalsContact C-CB 3.5Å; A106-A140 HydrophobicContact CB-CB 3.99Å; A106-A140 VanDerWaalsContact O-CB 3.28Å; A106-A140 WeakPolarHBondContact O-CB 3.13Å
107K58.8Low57.3Low20 Ų2048 Ų489%0.08726%0.257CS..Hα-helixtrans-64.3-49.9178.2-65-176.4-160.8-157.80113.4V103 A104 P105 I109 D110 E111 A140 L142 P143 N144V103-K107 HydrophobicContact CG1-CD 4.34Å; V103-K107 HydrophobicContact CG1-CG 4.19Å; V103-K107 WeakPolarHBondContact O-CG 3.3Å; V103-K107 PolarHBondContact O-N 2.95Å; V103-K107 VanDerWaalsContact O-N 3.12Å; A104-K107 PolarHBondContact O-N 2.68Å; P105-K107 VanDerWaalsContact C-N 3.32Å; P105-K107 PolarHBondContact O-N 3.4Å; K107-I109 PolarHBondContact O-N 3.18Å; K107-D110 PolarHBondContact O-N 2.87Å; K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 WeakPolarHBondContact O-CG 3.43Å; K107-E111 PolarHBondContact O-N 2.8Å; K107-A140 WeakPolarHBondContact CG-O 3.42Å; K107-L142 WeakPolarHBondContact CE-O 3.23Å; K107-L142 PolarHBondContact NZ-O 2.87Å; K107-P143 PolarHBondContact NZ-O 2.85Å; K107-N144 WeakPolarHBondContact CD-OD1 3.42Å; K107-N144 VanDerWaalsContact NZ-CA 3.27Å; K107-N144 VanDerWaalsContact NZ-N 3.18Å; K107-N144 PolarHBondContact NZ-OD1 2.81Å
108I60.9Low57Low19 Ų1953.9 Ų53.910%0.09728%0.283CS..Hα-helixtrans-59.5-44-179.1-67.4166.3000108.3L54 Q57 L58 A61 A104 P105 F112L54-I108 HydrophobicContact CD2-CG2 4.48Å; Q57-I108 HydrophobicContact CB-CD1 4.43Å; Q57-I108 HydrophobicContact CB-CG2 3.94Å; L58-I108 HydrophobicContact CD2-CB 4.2Å; L58-I108 HydrophobicContact CD2-CD1 4.06Å; L58-I108 HydrophobicContact CD2-CG2 3.92Å; L58-I108 HydrophobicContact CG-CG2 4.2Å; A61-I108 HydrophobicContact CB-CD1 3.54Å; A104-I108 WeakPolarHBondContact O-CG1 3.3Å; A104-I108 PolarHBondContact O-N 2.95Å; A104-I108 VanDerWaalsContact O-N 3.15Å; P105-I108 PolarHBondContact O-N 2.92Å; I108-F112 HydrophobicContact CG2-CD2 3.71Å; I108-F112 HydrophobicContact CG2-CE2 3.88Å; I108-F112 WeakPolarHBondContact O-CB 3.39Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 3.21Å
109I59.6Low56.8Low5 Ų554.5 Ų54.53%0.02629%0.286CS..Hα-helixtrans-65.7-43.6-179.7-64.3162.8000111.4V39 V41 A96 P105 A106 K107 F112 A113 I121V39-I109 HydrophobicContact CB-CD1 3.71Å; V39-I109 HydrophobicContact CG1-CD1 3.53Å; V39-I109 HydrophobicContact CG2-CD1 4.39Å; V41-I109 HydrophobicContact CG1-CG2 4.32Å; V41-I109 HydrophobicContact CG2-CD1 3.59Å; V41-I109 HydrophobicContact CG2-CG1 4.12Å; V41-I109 HydrophobicContact CG2-CG2 3.71Å; A96-I109 HydrophobicContact CB-CD1 4.33Å; P105-I109 HydrophobicContact CB-CD1 4.31Å; P105-I109 VanDerWaalsContact O-CB 3.3Å; P105-I109 WeakPolarHBondContact O-CB 3.08Å; P105-I109 VanDerWaalsContact O-CD1 3.26Å; P105-I109 WeakPolarHBondContact O-CD1 3.33Å; P105-I109 WeakPolarHBondContact O-CG1 3.39Å; P105-I109 PolarHBondContact O-N 2.62Å; A106-I109 PolarHBondContact O-N 2.71Å; K107-I109 PolarHBondContact O-N 3.18Å; I109-F112 CarbonylContact O-C 3.51Å; I109-F112 PolarHBondContact O-N 2.89Å; I109-A113 VanDerWaalsContact O-CB 3.3Å; I109-A113 WeakPolarHBondContact O-CB 3.33Å; I109-A113 PolarHBondContact O-N 2.84Å; I109-I121 HydrophobicContact CB-CD1 4.47Å; I109-I121 HydrophobicContact CG2-CD1 3.57Å; I109-I121 HydrophobicContact CG2-CG1 3.56Å
110D60.8Low56.9Low33 Ų3356.1 Ų56.118%0.17629%0.29CS..Hα-helixtrans-67.9-41.9176.6-10619.5000112.7A106 K107 F112 A113 S114 I121 A140A106-D110 WeakPolarHBondContact O-CB 3.24Å; A106-D110 PolarHBondContact O-N 2.65Å; K107-D110 PolarHBondContact O-N 2.87Å; D110-F112 PolarHBondContact O-N 3.21Å; D110-A113 PolarHBondContact O-N 2.92Å; D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 2.77Å; D110-S114 PolarHBondContact O-OG 2.91Å; D110-I121 WeakPolarHBondContact OD1-CD1 3.35Å; D110-A140 HydrophobicContact CB-CB 3.51Å; D110-A140 WeakPolarHBondContact OD2-CB 3.49Å
111E62.3Low57.1Low91 Ų9150.7 Ų50.743%0.42527%0.265SS..Hα-helixtrans-60.8-37.7174.6-77.2-173.7-164.100110.8K107 S114 K115K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 WeakPolarHBondContact O-CG 3.43Å; K107-E111 PolarHBondContact O-N 2.8Å; E111-S114 PolarHBondContact O-OG 2.87Å; E111-K115 WeakPolarHBondContact O-CG 3.47Å; E111-K115 PolarHBondContact O-N 3.03Å
112F58.2Low57.1Low15 Ų1548.3 Ų48.37%0.06625%0.25CS..Hα-helixtrans-75.4-36.5173.3-89.2-76000113.3D53 L54 Q57 I108 I109 D110 S114 K115 A116 L119D53-F112 HydrophobicContact CB-CE1 4.42Å; D53-F112 HydrophobicContact CB-CZ 4.12Å; L54-F112 HydrophobicContact CB-CE2 4.27Å; L54-F112 HydrophobicContact CB-CZ 4.33Å; L54-F112 HydrophobicContact CD1-CD1 4.36Å; L54-F112 HydrophobicContact CD1-CG 4.44Å; L54-F112 HydrophobicContact CD2-CB 3.68Å; L54-F112 HydrophobicContact CD2-CD1 3.94Å; L54-F112 HydrophobicContact CD2-CD2 3.09Å; L54-F112 HydrophobicContact CD2-CE1 4.32Å; L54-F112 HydrophobicContact CD2-CE2 3.48Å; L54-F112 VanDerWaalsContact CD2-CE2 3.48Å; L54-F112 HydrophobicContact CD2-CG 3.32Å; L54-F112 HydrophobicContact CD2-CZ 4.11Å; L54-F112 HydrophobicContact CG-CB 4.34Å; L54-F112 HydrophobicContact CG-CD1 3.76Å; L54-F112 HydrophobicContact CG-CD2 3.7Å; L54-F112 HydrophobicContact CG-CE1 3.83Å; L54-F112 HydrophobicContact CG-CE2 3.69Å; L54-F112 HydrophobicContact CG-CG 3.7Å; L54-F112 HydrophobicContact CG-CZ 3.79Å; Q57-F112 HydrophobicContact CB-CE2 4.13Å; Q57-F112 HydrophobicContact CG-CE2 4.02Å; Q57-F112 HydrophobicContact CG-CZ 4.28Å; I108-F112 HydrophobicContact CG2-CD2 3.71Å; I108-F112 HydrophobicContact CG2-CE2 3.88Å; I108-F112 WeakPolarHBondContact O-CB 3.39Å; I108-F112 WeakPolarHBondContact O-CD2 3.39Å; I108-F112 PolarHBondContact O-N 3.21Å; I109-F112 CarbonylContact O-C 3.51Å; I109-F112 PolarHBondContact O-N 2.89Å; D110-F112 PolarHBondContact O-N 3.21Å; F112-S114 VanDerWaalsContact C-N 3.27Å; F112-S114 PolarHBondContact O-N 2.89Å; F112-K115 CarbonylContact O-C 3.45Å; F112-K115 PolarHBondContact O-N 2.92Å; F112-A116 PolarHBondContact O-N 2.84Å; F112-L119 HydrophobicContact CB-CD1 3.78Å
113A58.3Low56.9Low22 Ų2247 Ų4718%0.18224%0.243CC..Hα-helixtrans-62.9-36.7175.400000111.2I109 D110 K115 A116 L119I109-A113 VanDerWaalsContact O-CB 3.3Å; I109-A113 WeakPolarHBondContact O-CB 3.33Å; I109-A113 PolarHBondContact O-N 2.84Å; D110-A113 PolarHBondContact O-N 2.92Å; A113-K115 VanDerWaalsContact C-N 3.25Å; A113-K115 PolarHBondContact O-N 2.95Å; A113-A116 CarbonylContact O-C 3.44Å; A113-A116 VanDerWaalsContact O-C 3.26Å; A113-A116 PolarHBondContact O-N 2.91Å; A113-L119 HydrophobicContact CB-CB 4.08Å
114S58Low56.9Low88 Ų8845.3 Ų45.362%0.61523%0.233SC*.Hα-helixtrans-67-23.3173.273.80000114.2D110 E111 F112D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 2.77Å; D110-S114 PolarHBondContact O-OG 2.91Å; E111-S114 PolarHBondContact O-OG 2.87Å; F112-S114 VanDerWaalsContact C-N 3.27Å; F112-S114 PolarHBondContact O-N 2.89Å
115K55.1Low56.9Low138 Ų13845 Ų4560%0.623%0.229SC*.Hα-helixtrans-94.8-24.9178.2-70.2171.5-174.2164.60112.9E111 F112 A113E111-K115 WeakPolarHBondContact O-CG 3.47Å; E111-K115 PolarHBondContact O-N 3.03Å; F112-K115 CarbonylContact O-C 3.45Å; F112-K115 PolarHBondContact O-N 2.92Å; A113-K115 VanDerWaalsContact C-N 3.25Å; A113-K115 PolarHBondContact O-N 2.95Å
116A52.7Low56.9Low11 Ų1146.4 Ų46.49%0.09124%0.236CC..  trans-134.192.7-178.500000108.1L46 F112 A113 K118 L119L46-A116 HydrophobicContact CD2-CB 3.85Å; F112-A116 PolarHBondContact O-N 2.84Å; A113-A116 CarbonylContact O-C 3.44Å; A113-A116 VanDerWaalsContact O-C 3.26Å; A113-A116 PolarHBondContact O-N 2.91Å; A116-K118 PolarHBondContact O-N 2.91Å; A116-L119 PolarHBondContact O-N 2.86Å
117D51.4Low56.8Low158 Ų15853.5 Ų53.585%0.84527%0.269SS*.THydrogen-bonded Turntrans-49.7-7-178.9-63.7-33.9000115.6
118K52.6Low56.5Low131 Ų13155 Ų5557%0.5729%0.29SS*.THydrogen-bonded Turntrans-100.1-4.4-175.5-58.2-176.3-176.9174.10114R44 A116 E120R44-K118 WeakPolarHBondContact O-CB 3.05Å; A116-K118 PolarHBondContact O-N 2.91Å; K118-E120 PolarHBondContact O-N 3.46Å
119L52.8Low56.2Low13 Ų1362 Ų627%0.06832%0.32CS..  trans-81.1102173.6-81.2172.1000110V41 L46 L54 F112 A113 A116V41-L119 HydrophobicContact CG1-CD2 3.77Å; L46-L119 HydrophobicContact CD1-CD1 4.19Å; L46-L119 HydrophobicContact CD1-CD2 3.39Å; L46-L119 HydrophobicContact CD1-CG 3.99Å; L46-L119 HydrophobicContact CD2-CD1 3.88Å; L46-L119 HydrophobicContact CD2-CD2 4.12Å; L46-L119 HydrophobicContact CD2-CG 3.76Å; L46-L119 HydrophobicContact CG-CD1 4.46Å; L46-L119 HydrophobicContact CG-CD2 3.8Å; L46-L119 HydrophobicContact CG-CG 4.01Å; L54-L119 HydrophobicContact CD1-CD1 4.13Å; F112-L119 HydrophobicContact CB-CD1 3.78Å; A113-L119 HydrophobicContact CB-CB 4.08Å; A116-L119 PolarHBondContact O-N 2.86Å
120E56Low55.9Low124 Ų12464.6 Ų64.658%0.57934%0.336SS*.EExtended strand (participates in β ladder)trans-90.6111.6174-68.6178.4-175.200109.1D42 K118 K122D42-E120 HydrophobicContact CB-CB 4.27Å; D42-E120 PolarHBondContact N-O 2.66Å; K118-E120 PolarHBondContact O-N 3.46Å; E120-K122 PolarHBondContact O-N 3.09Å
121I59.5Low55.6Low18 Ų1863.2 Ų63.29%0.09233%0.329CS..EExtended strand (participates in β ladder)trans-75.1117.8168-54.5180000106.7V39 I109 D110 I133 I136V39-I121 HydrophobicContact CG1-CG2 4.33Å; I109-I121 HydrophobicContact CB-CD1 4.47Å; I109-I121 HydrophobicContact CG2-CD1 3.57Å; I109-I121 HydrophobicContact CG2-CG1 3.56Å; D110-I121 WeakPolarHBondContact OD1-CD1 3.35Å; I121-I133 WeakPolarHBondContact O-CD1 3.31Å; I121-I133 WeakPolarHBondContact O-CG1 3.12Å; I121-I136 HydrophobicContact CD1-CG2 4.41Å; I121-I136 HydrophobicContact CG2-CB 4.47Å; I121-I136 HydrophobicContact CG2-CD1 3.81Å; I121-I136 HydrophobicContact CG2-CG2 4.04Å
122K54.3Low55.3Low45 Ų4561.5 Ų61.520%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-92.4-28.3-178.1-70.9-169.7164.6162.20113.2I40 D42 V88 S90 E120 I133I40-K122 PolarHBondContact O-N 3.47Å; I40-K122 VanDerWaalsContact O-N 3.16Å; D42-K122 HydrophobicContact CB-CD 4.47Å; D42-K122 VanDerWaalsContact OD1-CD 3.3Å; D42-K122 WeakPolarHBondContact OD1-CD 3.07Å; D42-K122 WeakPolarHBondContact OD1-CE 3.47Å; D42-K122 IonicContact OD1-NZ 2.71Å; D42-K122 PolarHBondContact OD1-NZ 3.1Å; D42-K122 WeakPolarHBondContact OD2-CE 3.16Å; D42-K122 IonicContact OD2-NZ 2.62Å; D42-K122 PolarHBondContact OD2-NZ 2.75Å; V88-K122 HydrophobicContact CG1-CB 3.49Å; V88-K122 VanDerWaalsContact CG1-CB 3.49Å; V88-K122 WeakPolarHBondContact CG1-O 3.31Å; S90-K122 PolarHBondContact O-NZ 3.06Å; E120-K122 PolarHBondContact O-N 3.09Å; K122-I133 WeakPolarHBondContact O-CG1 3.44Å
123G54.9Low55.3Low3 Ų364.8 Ų64.83%0.03134%0.344CS..EExtended strand (participates in β ladder)trans164.8177.5-17700000111.7I40I40-G123 WeakPolarHBondContact CA-O 3.46Å; I40-G123 VanDerWaalsContact CB-O 3.28Å; I40-G123 WeakPolarHBondContact CB-O 2.98Å; I40-G123 PolarHBondContact N-O 3.32Å
124G59.3Low55.1Low0 Ų071.2 Ų71.20%037%0.37CS..EExtended strand (participates in β ladder)trans-160.7161.1-174.400000110.8A38 A131A38-G124 CarbonylContact O-C 3.26Å; A38-G124 WeakPolarHBondContact O-CA 2.9Å; G124-A131 PolarHBondContact N-O 2.82Å; G124-A131 PolarHBondContact O-N 3.3Å
125I57.1Low55Low8 Ų871.6 Ų71.64%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-123.2129.3177.8-50.6174.6000106.6F32 S37 A38 L82 L85 K129F32-I125 HydrophobicContact CD1-CD1 4.3Å; F32-I125 HydrophobicContact CE1-CD1 3.86Å; S37-I125 CarbonylContact C-O 3.58Å; S37-I125 VanDerWaalsContact CA-O 3.24Å; S37-I125 WeakPolarHBondContact CA-O 3.22Å; S37-I125 WeakPolarHBondContact CB-O 3.36Å; A38-I125 HydrophobicContact CB-CB 4.47Å; A38-I125 PolarHBondContact N-O 2.98Å; A38-I125 PolarHBondContact O-N 3.47Å; L82-I125 HydrophobicContact CD1-CD1 3.67Å; L82-I125 HydrophobicContact CD1-CG2 3.91Å; L82-I125 HydrophobicContact CD2-CG2 4.03Å; L85-I125 HydrophobicContact CD1-CD1 3.09Å; L85-I125 HydrophobicContact CD1-CG1 3.37Å; I125-K129 WeakPolarHBondContact CA-O 3.49Å
126I55.7Low55.2Low31 Ų3165.1 Ų65.116%0.15934%0.335CS..EExtended strand (participates in β ladder)trans-130.3117.4177-63.2176.3000107.6V102 G128 K129 A131 L139V102-I126 HydrophobicContact CG1-CB 4.33Å; V102-I126 HydrophobicContact CG1-CD1 4.13Å; V102-I126 HydrophobicContact CG1-CG1 4.16Å; V102-I126 HydrophobicContact CG1-CG2 3.34Å; I126-G128 PolarHBondContact O-N 3.07Å; I126-K129 PolarHBondContact N-O 2.91Å; I126-K129 PolarHBondContact O-N 3.16Å; I126-A131 HydrophobicContact CD1-CB 4.18Å; I126-A131 HydrophobicContact CG1-CB 4.44Å; I126-L139 HydrophobicContact CD1-CD1 3.03Å
127E54.7Low55.5Low151 Ų15166.4 Ų66.471%0.70634%0.341SS*.THydrogen-bonded Turntrans4741.8174.4-60.1-177.9170.100113.4A36 V102A36-E127 PolarHBondContact O-N 2.96Å; V102-E127 HydrophobicContact CG2-CG 4.47Å
128G51.5Low55.7Low51 Ų5161.5 Ų61.553%0.52632%0.322SS..THydrogen-bonded Turntrans86.51.2177.900000116.1L82 I126L82-G128 WeakPolarHBondContact CD2-O 3.44Å; I126-G128 PolarHBondContact O-N 3.07Å
129K54.4Low55.9Low166 Ų16657.5 Ų57.572%0.72231%0.307SS*.EExtended strand (participates in β ladder)trans-106.8133172.7-66.5-177.5-179.3176.70110.8I125 I126 A131I125-K129 WeakPolarHBondContact CA-O 3.49Å; I126-K129 PolarHBondContact N-O 2.91Å; I126-K129 PolarHBondContact O-N 3.16Å; K129-A131 PolarHBondContact O-N 2.81Å
130V54.9Low56.3Low60 Ų6057.5 Ų57.536%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-71.2108.9170.8178.60000107.2L85L85-V130 HydrophobicContact CD1-CG2 4.33Å; L85-V130 HydrophobicContact CD2-CG1 3.8Å; L85-V130 HydrophobicContact CD2-CG2 4.5Å; L85-V130 HydrophobicContact CG-CG1 4.22Å; L85-V130 HydrophobicContact CG-CG2 4.07Å
131A53.8Low56.5Low3 Ų359.1 Ų59.13%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-89.6126.1175.300000109.1G124 I126 K129 E135 I136G124-A131 PolarHBondContact N-O 2.82Å; G124-A131 PolarHBondContact O-N 3.3Å; I126-A131 HydrophobicContact CD1-CB 4.18Å; I126-A131 HydrophobicContact CG1-CB 4.44Å; K129-A131 PolarHBondContact O-N 2.81Å; A131-E135 VanDerWaalsContact CA-OE2 3.28Å; A131-E135 WeakPolarHBondContact CA-OE2 3.41Å; A131-E135 HydrophobicContact CB-CB 3.98Å; A131-E135 WeakPolarHBondContact CB-OE2 3.33Å; A131-I136 HydrophobicContact CB-CG1 4.23Å
132S57.1Low56.5Low55 Ų5561.1 Ų61.139%0.38532%0.324SS..  trans-68.8164.8174.964.90000111.4E134 E135 I136S132-E134 PolarHBondContact O-N 3.17Å; S132-E135 WeakPolarHBondContact O-CB 3.15Å; S132-E135 PolarHBondContact O-N 3.34Å; S132-E135 PolarHBondContact OG-OE1 2.83Å; S132-I136 WeakPolarHBondContact O-CG1 3.34Å; S132-I136 PolarHBondContact O-N 2.99Å
133I56.4Low56.5Low84 Ų8460.7 Ų60.743%0.43133%0.326SS..Hα-helixtrans-53.1-39.8178.9-59.4170000111.1I121 K122 E135 I136 T137I121-I133 WeakPolarHBondContact O-CD1 3.31Å; I121-I133 WeakPolarHBondContact O-CG1 3.12Å; K122-I133 WeakPolarHBondContact O-CG1 3.44Å; I133-E135 PolarHBondContact O-N 3.48Å; I133-I136 PolarHBondContact O-N 2.72Å; I133-T137 HydrophobicContact CG2-CG2 4.4Å; I133-T137 VanDerWaalsContact O-CG2 3.32Å; I133-T137 WeakPolarHBondContact O-CG2 3.5Å; I133-T137 PolarHBondContact O-N 3.27Å; I133-T137 PolarHBondContact O-OG1 3.11Å
134E54.1Low56.6Low157 Ų15765.3 Ų65.373%0.73435%0.35SS*.Hα-helixtrans-64.4-40.5177.9-63.7-174.2177.900112.1S132 T137 A138S132-E134 PolarHBondContact O-N 3.17Å; E134-T137 WeakPolarHBondContact CA-OG1 3.3Å; E134-T137 PolarHBondContact O-N 3.25Å; E134-T137 PolarHBondContact O-OG1 3.11Å; E134-A138 VanDerWaalsContact O-CB 3.28Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 3.49Å
135E55.9Low56.6Low97 Ų9774 Ų7445%0.45338%0.383SS..Hα-helixtrans-66.9-40.1175.8-70.1171.5-147.200111.3A131 S132 I133 A138 L139A131-E135 VanDerWaalsContact CA-OE2 3.28Å; A131-E135 WeakPolarHBondContact CA-OE2 3.41Å; A131-E135 HydrophobicContact CB-CB 3.98Å; A131-E135 WeakPolarHBondContact CB-OE2 3.33Å; S132-E135 WeakPolarHBondContact O-CB 3.15Å; S132-E135 PolarHBondContact O-N 3.34Å; S132-E135 PolarHBondContact OG-OE1 2.83Å; I133-E135 PolarHBondContact O-N 3.48Å; E135-A138 PolarHBondContact O-N 3.21Å; E135-L139 WeakPolarHBondContact O-CB 3.27Å; E135-L139 WeakPolarHBondContact O-CG 3.38Å; E135-L139 PolarHBondContact O-N 3.25Å
136I59.3Low57.2Low2 Ų279.3 Ų79.31%0.0141%0.411CS..Hα-helixtrans-64.8-44.3177.4-60.5161.9000110.6V39 A106 I121 A131 S132 I133 A138 L139 A140V39-I136 HydrophobicContact CG1-CG2 4.35Å; A106-I136 HydrophobicContact CB-CG2 4.01Å; I121-I136 HydrophobicContact CD1-CG2 4.41Å; I121-I136 HydrophobicContact CG2-CB 4.47Å; I121-I136 HydrophobicContact CG2-CD1 3.81Å; I121-I136 HydrophobicContact CG2-CG2 4.04Å; A131-I136 HydrophobicContact CB-CG1 4.23Å; S132-I136 WeakPolarHBondContact O-CG1 3.34Å; S132-I136 PolarHBondContact O-N 2.99Å; I133-I136 PolarHBondContact O-N 2.72Å; I136-A138 VanDerWaalsContact C-N 3.34Å; I136-L139 PolarHBondContact O-N 3.36Å; I136-A140 VanDerWaalsContact O-CB 3.24Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 2.73Å
137T59.4Low57.8Low37 Ų3778.6 Ų78.623%0.22741%0.412CS..Hα-helixtrans-67.7-34.9177590000111.9I133 E134 L139 A140 K141I133-T137 HydrophobicContact CG2-CG2 4.4Å; I133-T137 VanDerWaalsContact O-CG2 3.32Å; I133-T137 WeakPolarHBondContact O-CG2 3.5Å; I133-T137 PolarHBondContact O-N 3.27Å; I133-T137 PolarHBondContact O-OG1 3.11Å; E134-T137 WeakPolarHBondContact CA-OG1 3.3Å; E134-T137 PolarHBondContact O-N 3.25Å; E134-T137 PolarHBondContact O-OG1 3.11Å; T137-L139 VanDerWaalsContact C-N 3.34Å; T137-A140 PolarHBondContact O-N 3.48Å; T137-K141 WeakPolarHBondContact O-CB 3.46Å; T137-K141 VanDerWaalsContact O-CG 3.23Å; T137-K141 WeakPolarHBondContact O-CG 3.38Å; T137-K141 PolarHBondContact O-N 2.91Å
138A55.8Low58.4Low55 Ų5574.7 Ų74.746%0.45540%0.396SS..Hα-helixtrans-64.8-40.7173.400000111.4E134 E135 I136 K141 L142E134-A138 VanDerWaalsContact O-CB 3.28Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 3.49Å; E135-A138 PolarHBondContact O-N 3.21Å; I136-A138 VanDerWaalsContact C-N 3.34Å; A138-K141 PolarHBondContact O-N 3.18Å; A138-L142 PolarHBondContact O-N 2.87Å
139L58.1Low59.5Low48 Ų4875.9 Ų75.925%0.25139%0.39SS..Hα-helixtrans-71.2-37.4176.4-69.6172.5000112.1V103 I126 E135 I136 T137 K141 L142V103-L139 WeakPolarHBondContact CG1-O 3.35Å; I126-L139 HydrophobicContact CD1-CD1 3.03Å; E135-L139 WeakPolarHBondContact O-CB 3.27Å; E135-L139 WeakPolarHBondContact O-CG 3.38Å; E135-L139 PolarHBondContact O-N 3.25Å; I136-L139 PolarHBondContact O-N 3.36Å; T137-L139 VanDerWaalsContact C-N 3.34Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.41Å; L139-L142 HydrophobicContact CB-CD1 4.5Å; L139-L142 HydrophobicContact CD2-CD1 3.55Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 WeakPolarHBondContact O-CG 3.28Å; L139-L142 PolarHBondContact O-N 2.9Å
140A59.4Low60.6Low12 Ų1271.2 Ų71.210%0.09938%0.378CS..Hα-helixtrans-66.1-31.3173.200000112.9A106 K107 D110 I136 T137 L142A106-A140 VanDerWaalsContact C-CB 3.5Å; A106-A140 HydrophobicContact CB-CB 3.99Å; A106-A140 VanDerWaalsContact O-CB 3.28Å; A106-A140 WeakPolarHBondContact O-CB 3.13Å; K107-A140 WeakPolarHBondContact CG-O 3.42Å; D110-A140 HydrophobicContact CB-CB 3.51Å; D110-A140 WeakPolarHBondContact OD2-CB 3.49Å; I136-A140 VanDerWaalsContact O-CB 3.24Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å; I136-A140 PolarHBondContact O-N 2.73Å; T137-A140 PolarHBondContact O-N 3.48Å; A140-L142 PolarHBondContact O-N 3.29Å
141K60.1Low61.6Low158 Ų15873.4 Ų73.469%0.68739%0.385SS*.THydrogen-bonded Turntrans-71.3-13.5170.8-74169.5-173.2172.10113.2T137 A138 L139 P143T137-K141 WeakPolarHBondContact O-CB 3.46Å; T137-K141 VanDerWaalsContact O-CG 3.23Å; T137-K141 WeakPolarHBondContact O-CG 3.38Å; T137-K141 PolarHBondContact O-N 2.91Å; A138-K141 PolarHBondContact O-N 3.18Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.41Å; K141-P143 WeakPolarHBondContact O-CD 3.25Å
142L60Low62.7Low60 Ų6078.1 Ų78.131%0.31441%0.41SS..SBendtrans-61.7123.6173.7-67.2172.7000108V103 K107 A138 L139 A140 L148V103-L142 HydrophobicContact CG1-CB 4.12Å; V103-L142 HydrophobicContact CG1-CD1 4.3Å; K107-L142 WeakPolarHBondContact CE-O 3.23Å; K107-L142 PolarHBondContact NZ-O 2.87Å; A138-L142 PolarHBondContact O-N 2.87Å; L139-L142 HydrophobicContact CB-CD1 4.5Å; L139-L142 HydrophobicContact CD2-CD1 3.55Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 WeakPolarHBondContact O-CG 3.28Å; L139-L142 PolarHBondContact O-N 2.9Å; A140-L142 PolarHBondContact O-N 3.29Å; L142-L148 HydrophobicContact CB-CD2 4.31Å; L142-L148 HydrophobicContact CD2-CD2 4.17Å
143P53.8Low64Low36 Ų3680.4 Ų80.423%0.23442%0.417CS..PPolyproline II helixtrans-68.9166.3-177.431.4-38.2000110.9K107 K141 L148 M151K107-P143 PolarHBondContact NZ-O 2.85Å; K141-P143 WeakPolarHBondContact O-CD 3.25Å; P143-L148 HydrophobicContact CG-CD2 4.28Å; P143-L148 HydrophobicContact CG-CG 4.43Å; P143-L148 WeakPolarHBondContact O-CG 3.44Å; P143-M151 HydrophobicContact CG-CE 3.77Å; P143-M151 HydrophobicContact CG-CG 4.39Å; P143-M151 HydrophobicContact CG-SD 3.61Å
144N57.7Low65.2Low100 Ų10079 Ų7954%0.53541%0.414SS..PPolyproline II helixtrans-59.5169.3-178.8-72.1-19.3000112.2K107 D146 G147 L148K107-N144 WeakPolarHBondContact CD-OD1 3.42Å; K107-N144 VanDerWaalsContact NZ-CA 3.27Å; K107-N144 VanDerWaalsContact NZ-N 3.18Å; K107-N144 PolarHBondContact NZ-OD1 2.81Å; N144-D146 PolarHBondContact O-N 3.49Å; N144-G147 CarbonylContact O-C 3.38Å; N144-G147 VanDerWaalsContact O-CA 3.24Å; N144-G147 WeakPolarHBondContact O-CA 3.27Å; N144-G147 PolarHBondContact O-N 3.42Å; N144-L148 PolarHBondContact O-N 3.11Å
145R59.3Low66.6Low184 Ų18476.2 Ų76.269%0.69441%0.408SS*.Hα-helixtrans-43.4-46.6-177.1-174.8177.7178.8-810.7112.5L148 L149R145-L148 PolarHBondContact O-N 3.42Å; R145-L149 HydrophobicContact CG-CD1 4.4Å; R145-L149 WeakPolarHBondContact O-CB 3.38Å; R145-L149 VanDerWaalsContact O-CG 3.25Å; R145-L149 WeakPolarHBondContact O-CG 3.4Å; R145-L149 PolarHBondContact O-N 3.25Å
146D70.5Confident67.9Low118 Ų11876.9 Ų76.963%0.63141%0.414SS*.Hα-helixtrans-68.1-35.2177.9-59.6-26.9000113.2N144 L149 S150N144-D146 PolarHBondContact O-N 3.49Å; D146-L149 PolarHBondContact O-N 3.21Å; D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 2.89Å
147G68.6Low69Low17 Ų1782.8 Ų82.818%0.17544%0.442CS..Hα-helixtrans-69.1-39.5172.900000112.9N144 L149 S150 M151N144-G147 CarbonylContact O-C 3.38Å; N144-G147 VanDerWaalsContact O-CA 3.24Å; N144-G147 WeakPolarHBondContact O-CA 3.27Å; N144-G147 PolarHBondContact O-N 3.42Å; G147-L149 VanDerWaalsContact C-N 3.33Å; G147-S150 WeakPolarHBondContact CA-OG 3.28Å; G147-S150 PolarHBondContact O-N 3.49Å; G147-S150 PolarHBondContact O-OG 3.03Å; G147-M151 PolarHBondContact O-N 3.49Å
148L67.1Low70Confident69 Ų6982.1 Ų82.136%0.36144%0.44SS..Hα-helixtrans-62.7-42.8171.4-74.2172.1000110.5L142 P143 N144 R145 S150 M151 L152L142-L148 HydrophobicContact CB-CD2 4.31Å; L142-L148 HydrophobicContact CD2-CD2 4.17Å; P143-L148 HydrophobicContact CG-CD2 4.28Å; P143-L148 HydrophobicContact CG-CG 4.43Å; P143-L148 WeakPolarHBondContact O-CG 3.44Å; N144-L148 PolarHBondContact O-N 3.11Å; R145-L148 PolarHBondContact O-N 3.42Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.4Å; L148-M151 PolarHBondContact O-N 2.99Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 PolarHBondContact O-N 2.71Å
149L74Confident71.2Confident76 Ų7682.9 Ų82.940%0.39844%0.44SS..Hα-helixtrans-60.7-42.2173-71171.5000111.2R145 D146 G147 M151 L152 L153R145-L149 HydrophobicContact CG-CD1 4.4Å; R145-L149 WeakPolarHBondContact O-CB 3.38Å; R145-L149 VanDerWaalsContact O-CG 3.25Å; R145-L149 WeakPolarHBondContact O-CG 3.4Å; R145-L149 PolarHBondContact O-N 3.25Å; D146-L149 PolarHBondContact O-N 3.21Å; G147-L149 VanDerWaalsContact C-N 3.33Å; L149-M151 PolarHBondContact O-N 3.23Å; L149-L152 WeakPolarHBondContact O-CB 3.41Å; L149-L152 PolarHBondContact O-N 2.81Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.2Å; L149-L153 PolarHBondContact O-N 3.17Å
150S77.6Confident72.3Confident67 Ų6785.7 Ų85.747%0.46946%0.459SS..Hα-helixtrans-65.2-3817780.50000112.8D146 G147 L148 L153 S154D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 2.89Å; G147-S150 WeakPolarHBondContact CA-OG 3.28Å; G147-S150 PolarHBondContact O-N 3.49Å; G147-S150 PolarHBondContact O-OG 3.03Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-S150 PolarHBondContact O-N 3.4Å; S150-L153 PolarHBondContact O-N 3.11Å; S150-S154 VanDerWaalsContact O-CB 3.31Å; S150-S154 WeakPolarHBondContact O-CB 3.3Å; S150-S154 PolarHBondContact O-N 2.92Å
151M75.6Confident73.2Confident106 Ų10690.5 Ų90.552%0.52248%0.475SS..Hα-helixtrans-66.5-43.3173.3-79.8-177.2174.600110.7P143 G147 L148 L149 L153 S154 V155P143-M151 HydrophobicContact CG-CE 3.77Å; P143-M151 HydrophobicContact CG-CG 4.39Å; P143-M151 HydrophobicContact CG-SD 3.61Å; G147-M151 PolarHBondContact O-N 3.49Å; L148-M151 PolarHBondContact O-N 2.99Å; L149-M151 PolarHBondContact O-N 3.23Å; M151-L153 VanDerWaalsContact C-N 3.33Å; M151-L153 PolarHBondContact O-N 3.25Å; M151-S154 WeakPolarHBondContact O-CB 3.4Å; M151-S154 PolarHBondContact O-N 2.85Å; M151-V155 VanDerWaalsContact O-CG2 3.29Å; M151-V155 WeakPolarHBondContact O-CG2 3.5Å; M151-V155 PolarHBondContact O-N 3.09Å
152L76.6Confident74.1Confident103 Ų10387.6 Ų87.654%0.53947%0.467SS..Hα-helixtrans-59.7-45175.5-128.2171.7000111L148 L149 V155 L156L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 PolarHBondContact O-N 2.71Å; L149-L152 WeakPolarHBondContact O-CB 3.41Å; L149-L152 PolarHBondContact O-N 2.81Å; L152-V155 PolarHBondContact O-N 2.88Å; L152-L156 HydrophobicContact CD2-CD1 4.28Å; L152-L156 HydrophobicContact CD2-CG 4.39Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.08Å
153L84Confident75.1Confident102 Ų10289.2 Ų89.253%0.53448%0.479SS..Hα-helixtrans-64.4-40.5175.2-70.8174.9000112.1L149 S150 M151 V155 L156 Q157L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.2Å; L149-L153 PolarHBondContact O-N 3.17Å; S150-L153 PolarHBondContact O-N 3.11Å; M151-L153 VanDerWaalsContact C-N 3.33Å; M151-L153 PolarHBondContact O-N 3.25Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 PolarHBondContact O-N 2.84Å; L153-L156 PolarHBondContact O-N 3.09Å; L153-Q157 WeakPolarHBondContact O-CB 3.1Å; L153-Q157 WeakPolarHBondContact O-CG 3.11Å; L153-Q157 PolarHBondContact O-N 3.3Å
154S82.7Confident76.3Confident54 Ų5490.1 Ų90.138%0.37849%0.489SS..Hα-helixtrans-61.5-41.4174.5175.60000111.8S150 M151 Q157 A158S150-S154 VanDerWaalsContact O-CB 3.31Å; S150-S154 WeakPolarHBondContact O-CB 3.3Å; S150-S154 PolarHBondContact O-N 2.92Å; M151-S154 WeakPolarHBondContact O-CB 3.4Å; M151-S154 PolarHBondContact O-N 2.85Å; S154-Q157 PolarHBondContact O-N 3.23Å; S154-A158 PolarHBondContact O-N 3.34Å
155V82.3Confident77.3Confident100 Ų10092.2 Ų92.261%0.60649%0.491SS*.Hα-helixtrans-67.6-38.9176173.60000111.1M151 L152 L153 Q157 A158 P159M151-V155 VanDerWaalsContact O-CG2 3.29Å; M151-V155 WeakPolarHBondContact O-CG2 3.5Å; M151-V155 PolarHBondContact O-N 3.09Å; L152-V155 PolarHBondContact O-N 2.88Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 PolarHBondContact O-N 2.84Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; V155-A158 VanDerWaalsContact O-CB 3.24Å; V155-A158 WeakPolarHBondContact O-CB 3.45Å; V155-A158 PolarHBondContact O-N 3.19Å; V155-P159 WeakPolarHBondContact O-CD 3.33Å
156L83.2Confident78.4Confident110 Ų11086.1 Ų86.158%0.57648%0.48SS*.Hα-helixtrans-69-30.8173.9-72.5173.4000113L152 L153 A158 P159L152-L156 HydrophobicContact CD2-CD1 4.28Å; L152-L156 HydrophobicContact CD2-CG 4.39Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.09Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-P159 VanDerWaalsContact O-CD 3.27Å; L156-P159 WeakPolarHBondContact O-CD 3.09Å; L156-P159 VanDerWaalsContact O-CG 3.3Å; L156-P159 WeakPolarHBondContact O-CG 3.41Å
157Q83.4Confident78.9Confident126 Ų12685 Ų8559%0.58948%0.477SS*.Hα-helixtrans-75.5-22.4172.7-75179.70.400112.7L153 S154 V155 V160 R161L153-Q157 WeakPolarHBondContact O-CB 3.1Å; L153-Q157 WeakPolarHBondContact O-CG 3.11Å; L153-Q157 PolarHBondContact O-N 3.3Å; S154-Q157 PolarHBondContact O-N 3.23Å; V155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-V160 PolarHBondContact O-N 3.43Å; Q157-R161 VanDerWaalsContact O-CB 3.31Å; Q157-R161 WeakPolarHBondContact O-CB 3.19Å; Q157-R161 PolarHBondContact O-N 2.81Å
158A80.4Confident79.4Confident23 Ų2390.4 Ų90.419%0.1950%0.496CS..Hα-helixtrans-54.8-49.3179.400000113.9S154 V155 L156 V160 R161 N162S154-A158 PolarHBondContact O-N 3.34Å; V155-A158 VanDerWaalsContact O-CB 3.24Å; V155-A158 WeakPolarHBondContact O-CB 3.45Å; V155-A158 PolarHBondContact O-N 3.19Å; L156-A158 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.21Å; A158-R161 PolarHBondContact O-N 3.39Å; A158-N162 WeakPolarHBondContact O-CB 3.48Å; A158-N162 PolarHBondContact O-N 2.9Å; A158-N162 PolarHBondContact O-ND2 2.79Å; A158-N162 PolarHBondContact O-OD1 3.18Å
159P81.4Confident80.1Confident72 Ų7289.1 Ų89.147%0.46850%0.495SS..Hα-helixtrans-62.8-39.8177.622.5-33.6000113.1V155 L156 R161 N162 V163V155-P159 WeakPolarHBondContact O-CD 3.33Å; L156-P159 VanDerWaalsContact O-CD 3.27Å; L156-P159 WeakPolarHBondContact O-CD 3.09Å; L156-P159 VanDerWaalsContact O-CG 3.3Å; L156-P159 WeakPolarHBondContact O-CG 3.41Å; P159-R161 VanDerWaalsContact C-N 3.34Å; P159-R161 PolarHBondContact O-N 2.69Å; P159-N162 PolarHBondContact O-N 2.89Å; P159-V163 WeakPolarHBondContact O-CG2 3.36Å; P159-V163 PolarHBondContact O-N 3.27Å
160V81.5Confident80.3Confident106 Ų10689.7 Ų89.764%0.64250%0.501SS*.Hα-helixtrans-63.4-44.2176.8-178.60000110.5Q157 A158 N162 V163 A164Q157-V160 PolarHBondContact O-N 3.43Å; A158-V160 PolarHBondContact O-N 3.21Å; V160-N162 VanDerWaalsContact C-N 3.35Å; V160-V163 PolarHBondContact O-N 2.93Å; V160-A164 PolarHBondContact O-N 3.49Å; V160-A164 VanDerWaalsContact O-N 3.08Å
161R77.7Confident80.3Confident113 Ų11388.9 Ų88.943%0.42650%0.499SS..Hα-helixtrans-65.2-37.9176.6-176.3173.362.2-155.1-5.1111.8Q157 A158 P159 A164 Y165Q157-R161 VanDerWaalsContact O-CB 3.31Å; Q157-R161 WeakPolarHBondContact O-CB 3.19Å; Q157-R161 PolarHBondContact O-N 2.81Å; A158-R161 PolarHBondContact O-N 3.39Å; P159-R161 VanDerWaalsContact C-N 3.34Å; P159-R161 PolarHBondContact O-N 2.69Å; R161-A164 PolarHBondContact O-N 2.81Å; R161-Y165 HydrophobicContact CG-CD2 3.79Å; R161-Y165 HydrophobicContact CG-CE2 3.32Å; R161-Y165 WeakPolarHBondContact O-CD2 3.49Å; R161-Y165 PolarHBondContact O-N 2.89Å
162N79.5Confident80.4Confident97 Ų9789.8 Ų89.852%0.51950%0.502SS..Hα-helixtrans-65.7-39.2177.3-67.8-12.4000111.8A158 P159 V160 Y165 A166A158-N162 WeakPolarHBondContact O-CB 3.48Å; A158-N162 PolarHBondContact O-N 2.9Å; A158-N162 PolarHBondContact O-ND2 2.79Å; A158-N162 PolarHBondContact O-OD1 3.18Å; P159-N162 PolarHBondContact O-N 2.89Å; V160-N162 VanDerWaalsContact C-N 3.35Å; N162-Y165 PolarHBondContact O-N 3.39Å; N162-A166 PolarHBondContact O-N 3.36Å
163V80.6Confident80.2Confident95 Ų9591.8 Ų91.858%0.57651%0.506SS*.Hα-helixtrans-65.6-43.4173.7175.40000110.9P159 V160 Y165 A166 V167P159-V163 WeakPolarHBondContact O-CG2 3.36Å; P159-V163 PolarHBondContact O-N 3.27Å; V160-V163 PolarHBondContact O-N 2.93Å; V163-Y165 VanDerWaalsContact C-N 3.29Å; V163-Y165 PolarHBondContact O-N 2.66Å; V163-A166 WeakPolarHBondContact O-CB 3.19Å; V163-A166 PolarHBondContact O-N 3.41Å; V163-A166 VanDerWaalsContact O-N 3.13Å; V163-V167 WeakPolarHBondContact O-CG2 3.38Å; V163-V167 PolarHBondContact O-N 3.05Å
164A78.7Confident79.3Confident54 Ų5493.7 Ų93.745%0.44651%0.512SS..Hα-helixtrans-60.5-39.2175.800000112.2V160 R161 K168V160-A164 PolarHBondContact O-N 3.49Å; V160-A164 VanDerWaalsContact O-N 3.08Å; R161-A164 PolarHBondContact O-N 2.81Å; A164-K168 WeakPolarHBondContact O-CG 3.46Å; A164-K168 PolarHBondContact O-N 2.87Å; A164-K168 VanDerWaalsContact O-N 3.09Å
165Y79.5Confident78.2Confident144 Ų14498.4 Ų98.457%0.56553%0.528SS*.Hα-helixtrans-67.4-38173.3-73.1-47.8000112.8R161 N162 V163 V167 K168 A169R161-Y165 HydrophobicContact CG-CD2 3.79Å; R161-Y165 HydrophobicContact CG-CE2 3.32Å; R161-Y165 WeakPolarHBondContact O-CD2 3.49Å; R161-Y165 PolarHBondContact O-N 2.89Å; N162-Y165 PolarHBondContact O-N 3.39Å; V163-Y165 VanDerWaalsContact C-N 3.29Å; V163-Y165 PolarHBondContact O-N 2.66Å; Y165-V167 PolarHBondContact O-N 2.88Å; Y165-K168 PolarHBondContact O-N 3.2Å; Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.24Å; Y165-A169 PolarHBondContact O-N 2.87Å
166A80.9Confident77Confident56 Ų56102 Ų10246%0.46354%0.539SS..Hα-helixtrans-62.6-42.3176.100000111.8N162 V163 A169 V170N162-A166 PolarHBondContact O-N 3.36Å; V163-A166 WeakPolarHBondContact O-CB 3.19Å; V163-A166 PolarHBondContact O-N 3.41Å; V163-A166 VanDerWaalsContact O-N 3.13Å; A166-A169 PolarHBondContact O-N 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 2.84Å; A166-V170 VanDerWaalsContact O-N 3.08Å
167V81.3Confident75.7Confident96 Ų96103 Ų10358%0.58255%0.549SS*.Hα-helixtrans-66.2-43177.31770000111.3V163 Y165 V170 A171V163-V167 WeakPolarHBondContact O-CG2 3.38Å; V163-V167 PolarHBondContact O-N 3.05Å; Y165-V167 PolarHBondContact O-N 2.88Å; V167-V170 PolarHBondContact O-N 3.43Å; V167-A171 PolarHBondContact O-N 2.86Å
168K80.3Confident74.1Confident130 Ų130103.8 Ų103.857%0.56558%0.577SS**Hα-helixtrans-62.3-42.7175-75.6-174175.7-169.90112.5A164 Y165 V170 A171 E172A164-K168 WeakPolarHBondContact O-CG 3.46Å; A164-K168 PolarHBondContact O-N 2.87Å; A164-K168 VanDerWaalsContact O-N 3.09Å; Y165-K168 PolarHBondContact O-N 3.2Å; K168-V170 VanDerWaalsContact C-N 3.25Å; K168-V170 PolarHBondContact O-N 3.4Å; K168-A171 PolarHBondContact O-N 3.49Å; K168-A171 VanDerWaalsContact O-N 3.15Å; K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 3.15Å
169A81.9Confident73.8Confident42 Ų42107.8 Ų107.835%0.34760%0.596SS.*Hα-helixtrans-66.8-25.2178.200000113.2Y165 A166 K173Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.24Å; Y165-A169 PolarHBondContact O-N 2.87Å; A166-A169 PolarHBondContact O-N 3.24Å; A169-K173 WeakPolarHBondContact O-CD 3.48Å; A169-K173 VanDerWaalsContact O-CG 3.23Å; A169-K173 WeakPolarHBondContact O-CG 3.4Å; A169-K173 PolarHBondContact O-N 3.08Å
170V78Confident73.4Confident87 Ų87109.7 Ų109.753%0.52760%0.603SS.*Hα-helixtrans-74.6-43.5170.8173.80000110.3A166 V167 K168 K173 E174A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 2.84Å; A166-V170 VanDerWaalsContact O-N 3.08Å; V167-V170 PolarHBondContact O-N 3.43Å; K168-V170 VanDerWaalsContact C-N 3.25Å; K168-V170 PolarHBondContact O-N 3.4Å; V170-K173 PolarHBondContact O-N 3.31Å; V170-E174 PolarHBondContact O-N 2.93Å
171A77.5Confident73Confident50 Ų50109.9 Ų109.941%0.41360%0.601SS.*Hα-helixtrans-64.1-44.6178.300000113V167 K168 K173 E174 E175V167-A171 PolarHBondContact O-N 2.86Å; K168-A171 PolarHBondContact O-N 3.49Å; K168-A171 VanDerWaalsContact O-N 3.15Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 3.31Å; A171-E174 PolarHBondContact O-N 3.3Å; A171-E174 VanDerWaalsContact O-N 3.12Å; A171-E175 PolarHBondContact O-N 3.46Å; A171-E175 VanDerWaalsContact O-N 3.11Å
172E76.6Confident72.7Confident126 Ų126109.7 Ų109.759%0.58961%0.611SS**Hα-helixtrans-64.4-35.4178.3-73.1173.9-178.400112.2K168 E174 E175 E176K168-E172 WeakPolarHBondContact O-CG 3.29Å; K168-E172 PolarHBondContact O-N 3.15Å; E172-E174 VanDerWaalsContact C-N 3.29Å; E172-E174 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 3Å; E172-E176 PolarHBondContact O-N 3.3Å
173K73.6Confident72.3Confident145 Ų145110.5 Ų110.563%0.6362%0.617SS**Hα-helixtrans-67.5-29.5174-77.5178.2-177.7-177.40112.9A169 V170 A171 V177A169-K173 WeakPolarHBondContact O-CD 3.48Å; A169-K173 VanDerWaalsContact O-CG 3.23Å; A169-K173 WeakPolarHBondContact O-CG 3.4Å; A169-K173 PolarHBondContact O-N 3.08Å; V170-K173 PolarHBondContact O-N 3.31Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 3.31Å; K173-V177 WeakPolarHBondContact O-CG2 3.36Å
174E64.7Low71.7Confident142 Ų142111.5 Ų111.566%0.66462%0.619SS**Hα-helixtrans-74.6-33.1174.2-71.3-177.2171.300111.6V170 A171 E172V170-E174 PolarHBondContact O-N 2.93Å; A171-E174 PolarHBondContact O-N 3.3Å; A171-E174 VanDerWaalsContact O-N 3.12Å; E172-E174 VanDerWaalsContact C-N 3.29Å; E172-E174 PolarHBondContact O-N 3.37Å
175E59.9Low71.2Confident153 Ų153115.6 Ų115.672%0.71563%0.632SS**Hα-helixtrans-72.7-37.1174.9-74.2-174.6169.900113.3A171 E172 V177 A178A171-E175 PolarHBondContact O-N 3.46Å; A171-E175 VanDerWaalsContact O-N 3.11Å; E172-E175 PolarHBondContact O-N 3Å; E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 3.27Å; E175-A178 PolarHBondContact O-N 3.44Å
176E57.5Low70.6Confident175 Ų175113.5 Ų113.582%0.81864%0.637SS**Hα-helixtrans-71.8-17.6176.9-100.7-173.416400114E172E172-E176 PolarHBondContact O-N 3.3Å
177V55.9Low69.7Low131 Ų131118.3 Ų118.379%0.79465%0.651SS**THydrogen-bonded Turntrans-93.3-10-179.71780000112.2K173 E175K173-V177 WeakPolarHBondContact O-CG2 3.36Å; E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 3.27Å
178A49.2Very low68.6Low142 Ų142120.3 Ų120.3100%1.17466%0.658SS**  trans-89.20176.700000112.6E175E175-A178 PolarHBondContact O-N 3.44Å

Retrieved 178 of 178 residues in 336.5 ms (Link to these results)

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