G4V7C7_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4V7C7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M56.1Low75.9Confident199 Ų199119 Ų11998%0.9860%0.602SS**  0-57.20-63.9-107.2-121.100112.2L3 I4 L5M1-L3 PolarHBondContact O-N 3.29Å; M1-I4 PolarHBondContact O-N 3.21Å; M1-L5 PolarHBondContact O-N 2.94Å
2K71.2Confident75.7Confident177 Ų177114.5 Ų114.577%0.7759%0.59SS**Hα-helixtrans-57.8-41.1-179.1-63.3-177.2179.9-179.70114.5I4 L5 I6K2-I4 PolarHBondContact O-N 3.44Å; K2-L5 PolarHBondContact O-N 2.88Å; K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.21Å; K2-I6 PolarHBondContact O-N 3.19Å; K2-I6 VanDerWaalsContact O-N 3.07Å
3L73.8Confident75.4Confident140 Ų140114.3 Ų114.373%0.73359%0.59SS**Hα-helixtrans-65.8-35.2179.2-70.4171.3000113.5M1 I6 F7M1-L3 PolarHBondContact O-N 3.29Å; L3-I6 PolarHBondContact O-N 2.88Å; L3-F7 WeakPolarHBondContact O-CB 3.43Å; L3-F7 PolarHBondContact O-N 3.43Å
4I79.5Confident75Confident127 Ų127114 Ų11465%0.65159%0.589SS**Hα-helixtrans-69-40.3178.9-61.3170.9000109.8M1 K2 F7 A8M1-I4 PolarHBondContact O-N 3.21Å; K2-I4 PolarHBondContact O-N 3.44Å; I4-F7 PolarHBondContact O-N 3.01Å; I4-A8 WeakPolarHBondContact O-CB 2.78Å; I4-A8 PolarHBondContact O-N 3.39Å
5L77.1Confident74.5Confident118 Ų118113.7 Ų113.762%0.61859%0.588SS**Hα-helixtrans-64.4-40.6175.1-71.5171.3000112.2M1 K2 A8 L9M1-L5 PolarHBondContact O-N 2.94Å; K2-L5 PolarHBondContact O-N 2.88Å; L5-A8 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.24Å
6I81.2Confident73.8Confident90 Ų90114.1 Ų114.146%0.46259%0.591SS.*Hα-helixtrans-63.3-45.5175.5-67.4164.2000110.2K2 L3 L9 I10K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.21Å; K2-I6 PolarHBondContact O-N 3.19Å; K2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.88Å; I6-L9 PolarHBondContact O-N 2.81Å; I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 2.92Å
7F78.5Confident73.1Confident138 Ų138110.8 Ų110.861%0.60558%0.577SS**Hα-helixtrans-64.4-41.5178.4-165.1-106.8000112.1L3 I4 I10 I11L3-F7 WeakPolarHBondContact O-CB 3.43Å; L3-F7 PolarHBondContact O-N 3.43Å; I4-F7 PolarHBondContact O-N 3.01Å; F7-I10 PolarHBondContact O-N 3.35Å; F7-I11 HydrophobicContact CD1-CD1 3.5Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.3Å; F7-I11 HydrophobicContact CE1-CG1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.79Å
8A78.9Confident72.2Confident49 Ų49108.7 Ų108.741%0.40557%0.57SS.*Hα-helixtrans-63.3-41.7175.100000112.4I4 L5 I11 S12I4-A8 WeakPolarHBondContact O-CB 2.78Å; I4-A8 PolarHBondContact O-N 3.39Å; L5-A8 PolarHBondContact O-N 3.41Å; A8-I11 PolarHBondContact O-N 3.27Å; A8-S12 PolarHBondContact O-N 2.92Å; A8-S12 PolarHBondContact O-OG 3.28Å
9L78.5Confident71.4Confident114 Ų114107.4 Ų107.460%0.59758%0.577SS**Hα-helixtrans-62.5-42.3174.8-83.4163.9000112.2L5 I6 I11 S12 L13L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.24Å; I6-L9 PolarHBondContact O-N 2.81Å; L9-I11 VanDerWaalsContact C-N 3.35Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.5Å
10I80.7Confident70.7Confident85 Ų85111.1 Ų111.144%0.43659%0.59SS.*Hα-helixtrans-62.7-43.8176.5-68.8165.5000110.4I6 F7 L13 L14I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 2.92Å; F7-I10 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.38Å; I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.41Å
11I78.9Confident69.9Low72 Ų72107.8 Ų107.837%0.36958%0.576SS.*Hα-helixtrans-63.9-45.6176.9-69.3168.8000111.2F7 A8 L9 L13 L14 L15F7-I11 HydrophobicContact CD1-CD1 3.5Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.3Å; F7-I11 HydrophobicContact CE1-CG1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.79Å; A8-I11 PolarHBondContact O-N 3.27Å; L9-I11 VanDerWaalsContact C-N 3.35Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; I11-L14 PolarHBondContact O-N 2.87Å; I11-L15 HydrophobicContact CG2-CD1 3.95Å; I11-L15 HydrophobicContact CG2-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.85Å
12S74.2Confident70.1Confident65 Ų65106.1 Ų106.146%0.45557%0.565SS.*Hα-helixtrans-62.5-38.6177-74.50000112.8A8 L9 L15 N16A8-S12 PolarHBondContact O-N 2.92Å; A8-S12 PolarHBondContact O-OG 3.28Å; L9-S12 PolarHBondContact O-N 3.36Å; S12-L15 PolarHBondContact O-N 2.85Å; S12-N16 PolarHBondContact O-N 3.21Å; S12-N16 PolarHBondContact O-ND2 3.42Å
13L72Confident69.5Low112 Ų112101 Ų10159%0.58656%0.556SS**Hα-helixtrans-62.9-45.8173.4-96.3153.4000111.6L9 I10 I11 L15 N16 V17L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.5Å; I10-L13 PolarHBondContact O-N 3.38Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.98Å; L13-N16 PolarHBondContact O-N 3.35Å; L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.39Å
14L68.8Low69Low110 Ų11096.2 Ų96.258%0.57654%0.535SS*.Hα-helixtrans-61-41.1177.3-73.6166.7000111.9I10 I11 T18I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 2.87Å; L14-T18 PolarHBondContact O-N 2.85Å; L14-T18 VanDerWaalsContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å
15L67.4Low68.3Low110 Ų11093.9 Ų93.958%0.57652%0.521SS*.Hα-helixtrans-67.6-42.1178.6-72.9171000112.9I11 S12 L13 T18I11-L15 HydrophobicContact CG2-CD1 3.95Å; I11-L15 HydrophobicContact CG2-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.85Å; S12-L15 PolarHBondContact O-N 2.85Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.98Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 3.16Å; L15-T18 PolarHBondContact O-OG1 3.02Å
16N64.7Low67.9Low120 Ų12095.9 Ų95.964%0.64253%0.525SS*.Hα-helixtrans-66.3-39.1176.9-79.5-30.5000111.9S12 L13 T18 A19S12-N16 PolarHBondContact O-N 3.21Å; S12-N16 PolarHBondContact O-ND2 3.42Å; L13-N16 PolarHBondContact O-N 3.35Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.4Å; N16-A19 PolarHBondContact O-N 3.15Å
17V61.8Low67.7Low58 Ų5898 Ų9835%0.35253%0.532SS..Hα-helixtrans-65.2-31.6176.9169.90000111.9L13 A19 L28L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.39Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.35Å; V17-L28 HydrophobicContact CG1-CD1 3.43Å; V17-L28 VanDerWaalsContact CG1-CD1 3.43Å
18T57Low67.4Low72 Ų7295.4 Ų95.444%0.44253%0.525SS..Hα-helixtrans-69.2-19.2175.939.50000114.5L14 L15 N16 Q25L14-T18 PolarHBondContact O-N 2.85Å; L14-T18 VanDerWaalsContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 3.16Å; L15-T18 PolarHBondContact O-OG1 3.02Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.4Å; T18-Q25 HydrophobicContact CG2-CG 4.4Å; T18-Q25 PolarHBondContact O-NE2 2.9Å
19A56.6Low67.2Low85 Ų85100 Ų10070%0.70254%0.536SS*.Hα-helixtrans-81.4-25.4-176.700000114.3N16 V17N16-A19 PolarHBondContact O-N 3.15Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.35Å
20E56.2Low67.3Low181 Ų18198 Ų9885%0.84653%0.528SS*.Hα-helixtrans-111.5-10.1-165.4-76-172.3163.800116.8
21S55.4Low67.3Low41 Ų4198.5 Ų98.529%0.28753%0.529SS..  trans-158.5111.9173.361.30000115.5A23 S24 Q25S21-A23 PolarHBondContact O-N 3.43Å; S21-S24 PolarHBondContact O-N 3.18Å; S21-S24 WeakPolarHBondContact OG-CB 3.32Å; S21-S24 PolarHBondContact OG-N 3.36Å; S21-Q25 WeakPolarHBondContact O-CG 3.39Å; S21-Q25 PolarHBondContact O-N 3.45Å
22Q58.8Low67.3Low164 Ų16497.8 Ų97.877%0.76653%0.53SS*.Hα-helixtrans-57.2-27.6164.6-71.5-173.4-13.100112K26Q22-K26 PolarHBondContact O-N 2.93Å
23A59.4Low67.7Low70 Ų7097.2 Ų97.258%0.57952%0.524SS*.Hα-helixtrans-69.5-48.617500000112.5S21 Q25 K26 E27S21-A23 PolarHBondContact O-N 3.43Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.46Å; A23-K26 PolarHBondContact O-N 2.85Å; A23-E27 PolarHBondContact O-N 3.46Å
24S63.7Low68.3Low40 Ų4097 Ų9728%0.2852%0.518SS..Hα-helixtrans-69.8-31177.6-162.90000111.8S21 K26 E27 L28S21-S24 PolarHBondContact O-N 3.18Å; S21-S24 WeakPolarHBondContact OG-CB 3.32Å; S21-S24 PolarHBondContact OG-N 3.36Å; S24-K26 VanDerWaalsContact C-N 3.3Å; S24-K26 PolarHBondContact O-N 3Å; S24-E27 PolarHBondContact O-N 3.37Å; S24-L28 VanDerWaalsContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.26Å; S24-L28 PolarHBondContact O-N 2.78Å
25Q63.9Low69Low77 Ų7797 Ų9736%0.3652%0.518SS..Hα-helixtrans-58.8-40.7172.4-75-171.711.300112.4T18 S21 A23 F29T18-Q25 HydrophobicContact CG2-CG 4.4Å; T18-Q25 PolarHBondContact O-NE2 2.9Å; S21-Q25 WeakPolarHBondContact O-CG 3.39Å; S21-Q25 PolarHBondContact O-N 3.45Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.46Å; Q25-F29 VanDerWaalsContact O-CB 3.24Å; Q25-F29 WeakPolarHBondContact O-CB 3.46Å; Q25-F29 PolarHBondContact O-N 2.85Å
26K70.2Confident69.8Low160 Ų160100.1 Ų100.170%0.69652%0.522SS*.Hα-helixtrans-67.5-41176.7-74.2-177.4-180-179.40112.1Q22 A23 S24 F29 T30Q22-K26 PolarHBondContact O-N 2.93Å; A23-K26 PolarHBondContact O-N 2.85Å; S24-K26 VanDerWaalsContact C-N 3.3Å; S24-K26 PolarHBondContact O-N 3Å; K26-F29 PolarHBondContact O-N 3.44Å; K26-T30 WeakPolarHBondContact O-CB 3.33Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 2.8Å
27E76Confident71Confident134 Ų134100.6 Ų100.663%0.62652%0.519SS*.Hα-helixtrans-65.7-47.2176.4-72.6-177.8169.800111.5A23 S24 F29 T30 E31A23-E27 PolarHBondContact O-N 3.46Å; S24-E27 PolarHBondContact O-N 3.37Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.89Å; E27-T30 WeakPolarHBondContact O-CB 3.31Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 VanDerWaalsContact O-N 3.07Å; E27-E31 WeakPolarHBondContact O-CG 3.43Å; E27-E31 PolarHBondContact O-N 3.02Å
28L72.3Confident72.2Confident85 Ų85101.2 Ų101.245%0.44553%0.526SS..Hα-helixtrans-60.6-39.5174.8-72.6173.1000112.5V17 S24 T30 S32V17-L28 HydrophobicContact CG1-CD1 3.43Å; V17-L28 VanDerWaalsContact CG1-CD1 3.43Å; S24-L28 VanDerWaalsContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.26Å; S24-L28 PolarHBondContact O-N 2.78Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-S32 VanDerWaalsContact O-CB 3.25Å; L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 3.42Å
29F75.9Confident73.7Confident145 Ų145102.3 Ų102.364%0.63653%0.528SS*.Hα-helixtrans-64.2-41.7173.4-168.2-97.8000111.1Q25 K26 E27 S32 V33Q25-F29 VanDerWaalsContact O-CB 3.24Å; Q25-F29 WeakPolarHBondContact O-CB 3.46Å; Q25-F29 PolarHBondContact O-N 2.85Å; K26-F29 PolarHBondContact O-N 3.44Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.89Å; F29-S32 VanDerWaalsContact CA-OG 3.3Å; F29-S32 WeakPolarHBondContact CA-OG 3.47Å; F29-S32 PolarHBondContact O-N 3Å; F29-S32 PolarHBondContact O-OG 3.33Å; F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.73Å; F29-V33 HydrophobicContact CZ-CG2 4.08Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 WeakPolarHBondContact O-CG2 3.13Å; F29-V33 PolarHBondContact O-N 2.9Å
30T80.5Confident75.2Confident72 Ų72100.5 Ų100.544%0.44251%0.508SS..Hα-helixtrans-65.6-43.7178.4-53.90000111.4K26 E27 L28 V33 K34K26-T30 WeakPolarHBondContact O-CB 3.33Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 2.8Å; E27-T30 WeakPolarHBondContact O-CB 3.31Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 VanDerWaalsContact O-N 3.07Å; L28-T30 VanDerWaalsContact C-N 3.33Å; T30-V33 PolarHBondContact O-N 2.82Å; T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.04Å
31E80.8Confident76.8Confident95 Ų9597.4 Ų97.444%0.44449%0.494SS..Hα-helixtrans-68-41.2177.1-70.8-55.2129.800112E27 V33 K34 L35E27-E31 WeakPolarHBondContact O-CG 3.43Å; E27-E31 PolarHBondContact O-N 3.02Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.89Å; E31-K34 PolarHBondContact O-N 3.09Å; E31-K34 IonicContact OE1-NZ 2.74Å; E31-K34 PolarHBondContact OE1-NZ 2.79Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.08Å
32S77.1Confident78.4Confident57 Ų57101.5 Ų101.540%0.39951%0.512SS..Hα-helixtrans-63.8-37.7174.158.50000112.5L28 F29 L35 W36L28-S32 VanDerWaalsContact O-CB 3.25Å; L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 3.42Å; F29-S32 VanDerWaalsContact CA-OG 3.3Å; F29-S32 WeakPolarHBondContact CA-OG 3.47Å; F29-S32 PolarHBondContact O-N 3Å; F29-S32 PolarHBondContact O-OG 3.33Å; S32-L35 PolarHBondContact O-N 3.18Å; S32-W36 WeakPolarHBondContact O-CB 3.47Å; S32-W36 PolarHBondContact O-N 3.26Å
33V82.8Confident79.7Confident54 Ų54101.6 Ų101.633%0.32751%0.505SS..Hα-helixtrans-65-41173.5169.60000111.4F29 T30 E31 W36 K37F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.73Å; F29-V33 HydrophobicContact CZ-CG2 4.08Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 WeakPolarHBondContact O-CG2 3.13Å; F29-V33 PolarHBondContact O-N 2.9Å; T30-V33 PolarHBondContact O-N 2.82Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.89Å; V33-W36 PolarHBondContact O-N 2.87Å; V33-K37 WeakPolarHBondContact O-CG 3.39Å; V33-K37 PolarHBondContact O-N 3.07Å
34K85.6Confident81.1Confident107 Ų107104.7 Ų104.747%0.46551%0.506SS..Hα-helixtrans-63.9-43.3174.4-72.8175.1-172.6167.30111.9T30 E31 K37 S38T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.04Å; E31-K34 PolarHBondContact O-N 3.09Å; E31-K34 IonicContact OE1-NZ 2.74Å; E31-K34 PolarHBondContact OE1-NZ 2.79Å; K34-K37 PolarHBondContact O-N 2.72Å; K34-S38 WeakPolarHBondContact O-CB 3.21Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.4Å
35L83Confident82.3Confident109 Ų109111.3 Ų111.357%0.57152%0.524SS*.Hα-helixtrans-60.3-46.2174.8-76.3170.4000110.7E31 S32 K37 S38 I39E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.08Å; S32-L35 PolarHBondContact O-N 3.18Å; L35-K37 PolarHBondContact O-N 3.22Å; L35-S38 PolarHBondContact O-N 2.87Å; L35-I39 WeakPolarHBondContact O-CB 3.15Å; L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.2Å
36W83.4Confident83.4Confident176 Ų176113.1 Ų113.167%0.66753%0.531SS*.Hα-helixtrans-61.7-42.2178.2-172.6-106.4000112.5S32 V33 I39 T40S32-W36 WeakPolarHBondContact O-CB 3.47Å; S32-W36 PolarHBondContact O-N 3.26Å; V33-W36 PolarHBondContact O-N 2.87Å; W36-I39 PolarHBondContact O-N 2.98Å; W36-T40 WeakPolarHBondContact O-CB 3.26Å; W36-T40 PolarHBondContact O-N 3.19Å; W36-T40 PolarHBondContact O-OG1 2.92Å
37K90.2Very high84.2Confident131 Ų131109.6 Ų109.657%0.5752%0.517SS*.Hα-helixtrans-60.4-46.2173.4-77.3-178.3179.2-177.50111.6V33 K34 L35 I39 T40 E41V33-K37 WeakPolarHBondContact O-CG 3.39Å; V33-K37 PolarHBondContact O-N 3.07Å; K34-K37 PolarHBondContact O-N 2.72Å; L35-K37 PolarHBondContact O-N 3.22Å; K37-I39 PolarHBondContact O-N 3.47Å; K37-T40 WeakPolarHBondContact O-CB 3.45Å; K37-T40 PolarHBondContact O-N 3.4Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.37Å
38S88.3Confident84.8Confident70 Ų70108.8 Ų108.849%0.4951%0.513SS..Hα-helixtrans-62.6-43.8178.9-56.10000111.8K34 L35 T40 E41 L42K34-S38 WeakPolarHBondContact O-CB 3.21Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.4Å; L35-S38 PolarHBondContact O-N 2.87Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.02Å; S38-E41 PolarHBondContact O-N 3.33Å; S38-L42 WeakPolarHBondContact O-CB 3.43Å; S38-L42 PolarHBondContact O-N 3.43Å
39I86.8Confident85.4Confident96 Ų96109.3 Ų109.349%0.49252%0.516SS..Hα-helixtrans-60.7-44.3174.1-69.8166.2000110.3L35 W36 K37 E41 L42 W43L35-I39 WeakPolarHBondContact O-CB 3.15Å; L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.2Å; W36-I39 PolarHBondContact O-N 2.98Å; K37-I39 PolarHBondContact O-N 3.47Å; I39-E41 PolarHBondContact O-N 3.08Å; I39-L42 PolarHBondContact O-N 2.96Å; I39-W43 VanDerWaalsContact O-CB 3.28Å; I39-W43 WeakPolarHBondContact O-CB 3.49Å; I39-W43 PolarHBondContact O-N 3.46Å
40T88.1Confident85.7Confident47 Ų47104.2 Ų104.229%0.28850%0.498SS..Hα-helixtrans-64.8-40.8179.8-57.80000111.7W36 K37 S38 W43 K44W36-T40 WeakPolarHBondContact O-CB 3.26Å; W36-T40 PolarHBondContact O-N 3.19Å; W36-T40 PolarHBondContact O-OG1 2.92Å; K37-T40 WeakPolarHBondContact O-CB 3.45Å; K37-T40 PolarHBondContact O-N 3.4Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.02Å; T40-W43 PolarHBondContact O-N 2.82Å; T40-K44 WeakPolarHBondContact O-CG 3.49Å; T40-K44 PolarHBondContact O-N 3.27Å
41E90.4Very high85.9Confident115 Ų115107.4 Ų107.454%0.53750%0.502SS..Hα-helixtrans-65.4-43.3174.9-75.3179.8-166.700112K37 S38 I39 W43 K44 R45K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.37Å; S38-E41 PolarHBondContact O-N 3.33Å; I39-E41 PolarHBondContact O-N 3.08Å; E41-W43 VanDerWaalsContact C-N 3.3Å; E41-W43 PolarHBondContact O-N 3.41Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-R45 WeakPolarHBondContact O-CG 3.25Å; E41-R45 PolarHBondContact O-N 3.36Å
42L88.3Confident86.1Confident128 Ų128106.4 Ų106.467%0.6750%0.503SS*.Hα-helixtrans-63.6-40.2176.5-157.6122.4000110.9S38 I39 R45 F46S38-L42 WeakPolarHBondContact O-CB 3.43Å; S38-L42 PolarHBondContact O-N 3.43Å; I39-L42 PolarHBondContact O-N 2.96Å; L42-R45 PolarHBondContact O-N 2.99Å; L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 2.91Å
43W87.4Confident86.3Confident166 Ų166110.3 Ų110.363%0.62951%0.513SS*.Hα-helixtrans-63-44.5174.5-169.3-100000112I39 T40 E41 R45 F46 E47I39-W43 VanDerWaalsContact O-CB 3.28Å; I39-W43 WeakPolarHBondContact O-CB 3.49Å; I39-W43 PolarHBondContact O-N 3.46Å; T40-W43 PolarHBondContact O-N 2.82Å; E41-W43 VanDerWaalsContact C-N 3.3Å; E41-W43 PolarHBondContact O-N 3.41Å; W43-R45 PolarHBondContact O-N 2.93Å; W43-F46 PolarHBondContact O-N 2.77Å; W43-E47 WeakPolarHBondContact O-CB 3.43Å; W43-E47 PolarHBondContact O-N 3.45Å
44K89.3Confident86.1Confident135 Ų135112.2 Ų112.259%0.58752%0.52SS*.Hα-helixtrans-60.9-42.6175.3-76.8176.8178.9-178.80112.2T40 E41 E47 H48T40-K44 WeakPolarHBondContact O-CG 3.49Å; T40-K44 PolarHBondContact O-N 3.27Å; E41-K44 PolarHBondContact O-N 3.24Å; K44-E47 PolarHBondContact O-N 2.88Å; K44-H48 WeakPolarHBondContact O-CB 3.45Å; K44-H48 PolarHBondContact O-N 3.46Å
45R88Confident85.9Confident178 Ų178114 Ų11467%0.67252%0.524SS*.Hα-helixtrans-64.5-41.9175.4-70.5-178.1-172.4-152.13.9111.5E41 L42 W43 H48 N49E41-R45 WeakPolarHBondContact O-CG 3.25Å; E41-R45 PolarHBondContact O-N 3.36Å; L42-R45 PolarHBondContact O-N 2.99Å; W43-R45 PolarHBondContact O-N 2.93Å; R45-H48 PolarHBondContact O-N 3.46Å; R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 3.3Å
46F87Confident85.9Confident115 Ų115114.7 Ų114.750%0.50452%0.522SS..Hα-helixtrans-62.9-47.7175.5-179.3-99000111.5L42 W43 H48 N49 C50L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 2.91Å; W43-F46 PolarHBondContact O-N 2.77Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 3.38Å; F46-N49 PolarHBondContact O-N 2.92Å; F46-C50 VanDerWaalsContact CE1-SG 3.51Å; F46-C50 WeakPolarHBondContact CZ-SG 3.44Å; F46-C50 VanDerWaalsContact O-CB 3.3Å; F46-C50 WeakPolarHBondContact O-CB 3.38Å; F46-C50 PolarHBondContact O-N 3.33Å; F46-C50 PolarHBondContact O-SG 3.4Å; F46-C50 VanDerWaalsContact O-SG 3.38Å
47E86.5Confident85.5Confident86 Ų86113.3 Ų113.340%0.40252%0.518SS..Hα-helixtrans-57.7-45.1176.3-168-161.6151.800111W43 K44 C50 R51W43-E47 WeakPolarHBondContact O-CB 3.43Å; W43-E47 PolarHBondContact O-N 3.45Å; K44-E47 PolarHBondContact O-N 2.88Å; E47-C50 PolarHBondContact O-N 3.48Å; E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.8Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 IonicContact OE1-NH2 2.8Å; E47-R51 PolarHBondContact OE1-NH2 2.8Å
48H88.8Confident84.9Confident118 Ų118109.1 Ų109.155%0.54650%0.501SS..Hα-helixtrans-60.9-50.1176.9-175.176.9000111.8K44 R45 F46 C50 R51 V52K44-H48 WeakPolarHBondContact O-CB 3.45Å; K44-H48 PolarHBondContact O-N 3.46Å; R45-H48 PolarHBondContact O-N 3.46Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 3.38Å; H48-C50 PolarHBondContact O-N 3.37Å; H48-R51 PolarHBondContact O-N 3.03Å; H48-V52 WeakPolarHBondContact O-CG2 3.39Å; H48-V52 PolarHBondContact O-N 3.44Å
49N85.1Confident84.6Confident95 Ų95112 Ų11251%0.50851%0.507SS..Hα-helixtrans-63.1-41.2179.2-74.6-17.2000112.3R45 F46 V52 K53R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 3.3Å; F46-N49 PolarHBondContact O-N 2.92Å; N49-V52 PolarHBondContact O-N 2.87Å; N49-K53 WeakPolarHBondContact O-CB 3.39Å; N49-K53 WeakPolarHBondContact O-CG 3.49Å; N49-K53 PolarHBondContact O-N 2.75Å
50C82.4Confident84.2Confident38 Ų38113.1 Ų113.126%0.25751%0.51SS..Hα-helixtrans-63.4-45174.5-76.70000111F46 E47 H48 V52 K53 I54F46-C50 VanDerWaalsContact CE1-SG 3.51Å; F46-C50 WeakPolarHBondContact CZ-SG 3.44Å; F46-C50 VanDerWaalsContact O-CB 3.3Å; F46-C50 WeakPolarHBondContact O-CB 3.38Å; F46-C50 PolarHBondContact O-N 3.33Å; F46-C50 PolarHBondContact O-SG 3.4Å; F46-C50 VanDerWaalsContact O-SG 3.38Å; E47-C50 PolarHBondContact O-N 3.48Å; H48-C50 PolarHBondContact O-N 3.37Å; C50-V52 VanDerWaalsContact C-N 3.35Å; C50-V52 PolarHBondContact O-N 3.5Å; C50-K53 PolarHBondContact O-N 3.18Å; C50-I54 VanDerWaalsContact O-CB 3.27Å; C50-I54 WeakPolarHBondContact O-CB 3.4Å; C50-I54 WeakPolarHBondContact O-CD1 3.4Å; C50-I54 WeakPolarHBondContact O-CG1 3.37Å; C50-I54 PolarHBondContact O-N 3.49Å
51R83.6Confident83.6Confident139 Ų139115.6 Ų115.653%0.52552%0.522SS..Hα-helixtrans-60.9-42.4176.9-172.8-176.9-65.6-108.84111.9E47 H48 R55E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.8Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 IonicContact OE1-NH2 2.8Å; E47-R51 PolarHBondContact OE1-NH2 2.8Å; H48-R51 PolarHBondContact O-N 3.03Å; R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.47Å; R51-R55 PolarHBondContact O-N 2.86Å
52V85.9Confident82.7Confident74 Ų74115.7 Ų115.745%0.44853%0.526SS..Hα-helixtrans-65.7-46.8176.51720000111H48 N49 C50 R55 K56H48-V52 WeakPolarHBondContact O-CG2 3.39Å; H48-V52 PolarHBondContact O-N 3.44Å; N49-V52 PolarHBondContact O-N 2.87Å; C50-V52 VanDerWaalsContact C-N 3.35Å; C50-V52 PolarHBondContact O-N 3.5Å; V52-R55 PolarHBondContact O-N 2.94Å; V52-K56 WeakPolarHBondContact O-CB 3.36Å; V52-K56 PolarHBondContact O-N 3.37Å
53K80.7Confident82Confident140 Ų140112.8 Ų112.861%0.60951%0.511SS*.Hα-helixtrans-61.5-48.3176.5-77.2-176.1178.3-174.50111.7N49 C50 R55 K56 Y57N49-K53 WeakPolarHBondContact O-CB 3.39Å; N49-K53 WeakPolarHBondContact O-CG 3.49Å; N49-K53 PolarHBondContact O-N 2.75Å; C50-K53 PolarHBondContact O-N 3.18Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.2Å; K53-K56 PolarHBondContact O-N 2.96Å; K53-Y57 HydrophobicContact CB-CD2 4.44Å; K53-Y57 HydrophobicContact CB-CE2 4.48Å; K53-Y57 WeakPolarHBondContact O-CD2 3.3Å; K53-Y57 PolarHBondContact O-N 2.87Å
54I80Confident81.3Confident93 Ų93106.4 Ų106.448%0.47750%0.497SS..Hα-helixtrans-60-45.2178.1-70164.8000109.9C50 K56 Y57 L58C50-I54 VanDerWaalsContact O-CB 3.27Å; C50-I54 WeakPolarHBondContact O-CB 3.4Å; C50-I54 WeakPolarHBondContact O-CD1 3.4Å; C50-I54 WeakPolarHBondContact O-CG1 3.37Å; C50-I54 PolarHBondContact O-N 3.49Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.44Å; I54-Y57 PolarHBondContact O-N 3.39Å; I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.35Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å
55R81.1Confident80.6Confident146 Ų146107.5 Ų107.555%0.55150%0.504SS*.Hα-helixtrans-58.2-47.2176-176.8-178.1-66.1172.3-4.1111.2R51 V52 K53 L58 E59R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.47Å; R51-R55 PolarHBondContact O-N 2.86Å; V52-R55 PolarHBondContact O-N 2.94Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.2Å; R55-L58 PolarHBondContact O-N 3.23Å; R55-E59 WeakPolarHBondContact CD-OE1 3.28Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.34Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 WeakPolarHBondContact O-CG 3.49Å; R55-E59 PolarHBondContact O-N 3.44Å
56K82.3Confident80.1Confident122 Ų122105.7 Ų105.753%0.5350%0.501SS..Hα-helixtrans-60.4-46.6177.3-175.6173.3172.4175.90112.1V52 K53 I54 L58 E59 E60V52-K56 WeakPolarHBondContact O-CB 3.36Å; V52-K56 PolarHBondContact O-N 3.37Å; K53-K56 PolarHBondContact O-N 2.96Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.44Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.02Å; K56-E59 PolarHBondContact O-N 2.84Å; K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 HydrophobicContact CG-CG 4.36Å; K56-E60 IonicContact NZ-OE1 3.74Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.85Å
57Y75.3Confident79.7Confident147 Ų147104.5 Ų104.558%0.57650%0.499SS*.Hα-helixtrans-60.5-40.1174.1-82-66.4000112.4K53 I54 D61K53-Y57 HydrophobicContact CB-CD2 4.44Å; K53-Y57 HydrophobicContact CB-CE2 4.48Å; K53-Y57 WeakPolarHBondContact O-CD2 3.3Å; K53-Y57 PolarHBondContact O-N 2.87Å; I54-Y57 PolarHBondContact O-N 3.39Å; Y57-D61 PolarHBondContact O-N 2.74Å
58L78Confident79.3Confident44 Ų44103.2 Ų103.223%0.2350%0.503CS..Hα-helixtrans-68.7-34.5178.7-72.2174.6000112.6I54 R55 K56 N62 L63 G64 L67I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.35Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å; R55-L58 PolarHBondContact O-N 3.23Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.02Å; L58-N62 CarbonylContact O-C 3.51Å; L58-N62 WeakPolarHBondContact O-CA 3.27Å; L58-N62 PolarHBondContact O-N 3.42Å; L58-L63 HydrophobicContact CD2-CB 3.6Å; L58-L63 PolarHBondContact O-N 3.47Å; L58-G64 PolarHBondContact O-N 3.4Å; L58-L67 HydrophobicContact CD1-CD2 4.26Å; L58-L67 HydrophobicContact CD2-CB 4.47Å; L58-L67 HydrophobicContact CD2-CD2 4.08Å
59E80.7Confident78.8Confident130 Ų130100.1 Ų100.161%0.60750%0.498SS*.Hα-helixtrans-73.9-45.5176.1-75.1170.8-171.500111.5R55 K56 D61 N62R55-E59 WeakPolarHBondContact CD-OE1 3.28Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.34Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 WeakPolarHBondContact O-CG 3.49Å; R55-E59 PolarHBondContact O-N 3.44Å; K56-E59 PolarHBondContact O-N 2.84Å; E59-D61 PolarHBondContact O-N 2.83Å; E59-N62 PolarHBondContact O-N 2.82Å
60E80.2Confident78.7Confident119 Ų11998.8 Ų98.856%0.55649%0.494SS*.Hα-helixtrans-60.9-41.6-178.7-76.8176.5171.700112.5K56K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 HydrophobicContact CG-CG 4.36Å; K56-E60 IonicContact NZ-OE1 3.74Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.85Å
61D74.9Confident78.7Confident100 Ų100100.9 Ų100.954%0.53551%0.505SS..THydrogen-bonded Turntrans-97.37.7-176.9-70.2-31000113.7Y57 E59 L63Y57-D61 PolarHBondContact O-N 2.74Å; E59-D61 PolarHBondContact O-N 2.83Å; D61-L63 HydrophobicContact CB-CB 4.34Å; D61-L63 HydrophobicContact CB-CD1 3.51Å; D61-L63 HydrophobicContact CB-CG 3.53Å; D61-L63 PolarHBondContact O-N 3.44Å
62N71.8Confident78.7Confident117 Ų11796.9 Ų96.963%0.62650%0.498SS*.THydrogen-bonded Turntrans47.629.6-168.2-76.8-45000112.8L58 E59 G64L58-N62 CarbonylContact O-C 3.51Å; L58-N62 WeakPolarHBondContact O-CA 3.27Å; L58-N62 PolarHBondContact O-N 3.42Å; E59-N62 PolarHBondContact O-N 2.82Å; N62-G64 PolarHBondContact O-N 2.94Å
63L73.6Confident78.7Confident66 Ų6697.5 Ų97.535%0.34650%0.498SS..Hα-helixtrans-74.4-17.2-179.1-77.2167.1000111.7L58 D61 E65 K66 L67L58-L63 HydrophobicContact CD2-CB 3.6Å; L58-L63 PolarHBondContact O-N 3.47Å; D61-L63 HydrophobicContact CB-CB 4.34Å; D61-L63 HydrophobicContact CB-CD1 3.51Å; D61-L63 HydrophobicContact CB-CG 3.53Å; D61-L63 PolarHBondContact O-N 3.44Å; L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 2.92Å; L63-K66 HydrophobicContact CD2-CD 4.17Å; L63-K66 PolarHBondContact O-N 2.73Å; L63-L67 VanDerWaalsContact O-CB 3.26Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 3.07Å
64G72.9Confident78.8Confident33 Ų3397.8 Ų97.834%0.3450%0.496SS..Hα-helixtrans-53.2-48.4176.900000112.5L58 N62 L67 A68L58-G64 PolarHBondContact O-N 3.4Å; N62-G64 PolarHBondContact O-N 2.94Å; G64-L67 PolarHBondContact O-N 2.89Å; G64-A68 VanDerWaalsContact O-CB 3.29Å; G64-A68 WeakPolarHBondContact O-CB 3.47Å; G64-A68 PolarHBondContact O-N 3.25Å
65E74.6Confident79.1Confident157 Ų15796.6 Ų96.673%0.73449%0.493SS*.Hα-helixtrans-67.9-43179-64.9-173.2169.400112.2L63 L67 A68 A69L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 2.92Å; E65-L67 PolarHBondContact O-N 3.4Å; E65-A68 PolarHBondContact O-N 3.24Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 2.88Å
66K77Confident79.5Confident140 Ų14096.6 Ų96.661%0.60950%0.497SS*.Hα-helixtrans-62.2-44.1177.2-71.4177.8179.51700111.3L63 A69 V70L63-K66 HydrophobicContact CD2-CD 4.17Å; L63-K66 PolarHBondContact O-N 2.73Å; K66-A69 PolarHBondContact O-N 2.81Å; K66-V70 WeakPolarHBondContact O-CG2 3.2Å; K66-V70 PolarHBondContact O-N 2.98Å
67L78.4Confident79.8Confident90 Ų9098.3 Ų98.347%0.47150%0.5SS..Hα-helixtrans-66.4-43.5178.3-168.672.6000110.8L58 L63 G64 E65 A69 V70 V71L58-L67 HydrophobicContact CD1-CD2 4.26Å; L58-L67 HydrophobicContact CD2-CB 4.47Å; L58-L67 HydrophobicContact CD2-CD2 4.08Å; L63-L67 VanDerWaalsContact O-CB 3.26Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 3.07Å; G64-L67 PolarHBondContact O-N 2.89Å; E65-L67 PolarHBondContact O-N 3.4Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.48Å; L67-V70 PolarHBondContact O-N 2.83Å; L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.25Å
68A77.9Confident80.4Confident59 Ų5996.2 Ų96.249%0.48850%0.499SS..Hα-helixtrans-60.4-40.4174.900000111.9G64 E65 V71 S72G64-A68 VanDerWaalsContact O-CB 3.29Å; G64-A68 WeakPolarHBondContact O-CB 3.47Å; G64-A68 PolarHBondContact O-N 3.25Å; E65-A68 PolarHBondContact O-N 3.24Å; A68-V71 PolarHBondContact O-N 3.45Å; A68-S72 VanDerWaalsContact O-CB 3.26Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.29Å
69A79.5Confident80.9Confident53 Ų5398 Ų9844%0.43851%0.509SS..Hα-helixtrans-62.5-44.9174.500000111.8E65 K66 L67 S72 I73E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 2.88Å; K66-A69 PolarHBondContact O-N 2.81Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.48Å; A69-S72 WeakPolarHBondContact O-CB 3.44Å; A69-S72 PolarHBondContact O-N 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.98Å
70V81.9Confident81.3Confident68 Ų6898.6 Ų98.641%0.41251%0.509SS..Hα-helixtrans-61.5-49.2175.9172.40000110.9K66 L67 S72 I73 Y74K66-V70 WeakPolarHBondContact O-CG2 3.2Å; K66-V70 PolarHBondContact O-N 2.98Å; L67-V70 PolarHBondContact O-N 2.83Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.97Å; V70-I73 WeakPolarHBondContact O-CB 3.24Å; V70-I73 PolarHBondContact O-N 3.33Å; V70-I73 VanDerWaalsContact O-N 3.15Å; V70-Y74 HydrophobicContact CG1-CD2 3.7Å; V70-Y74 HydrophobicContact CG1-CE2 3.56Å; V70-Y74 VanDerWaalsContact O-CD2 3.26Å; V70-Y74 WeakPolarHBondContact O-CD2 3.22Å; V70-Y74 PolarHBondContact O-N 3.37Å
71V83.1Confident81.7Confident81 Ų81101 Ų10149%0.49151%0.513SS..Hα-helixtrans-59.1-43.1177.3172.40000110.9L67 A68 I73 Y74 V75L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.25Å; A68-V71 PolarHBondContact O-N 3.45Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.36Å; V71-Y74 PolarHBondContact O-N 3.4Å; V71-Y74 VanDerWaalsContact O-N 3.16Å; V71-V75 HydrophobicContact CG1-CG2 4.18Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 2.95Å
72S83.5Confident82.4Confident56 Ų56101 Ų10139%0.39251%0.512SS..Hα-helixtrans-58.4-42.7175.8-175.80000112.3A68 A69 V70 V75 K76A68-S72 VanDerWaalsContact O-CB 3.26Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.29Å; A69-S72 WeakPolarHBondContact O-CB 3.44Å; A69-S72 PolarHBondContact O-N 3.24Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.97Å; S72-V75 PolarHBondContact O-N 3.41Å; S72-K76 WeakPolarHBondContact O-CB 3.28Å; S72-K76 VanDerWaalsContact O-CG 3.31Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.16Å
73I85Confident83.2Confident86 Ų86100.3 Ų100.344%0.44151%0.509SS..Hα-helixtrans-62.4-45.7175.1-67164.1000110.9A69 V70 V71 K76 R77A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.98Å; V70-I73 WeakPolarHBondContact O-CB 3.24Å; V70-I73 PolarHBondContact O-N 3.33Å; V70-I73 VanDerWaalsContact O-N 3.15Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.36Å; I73-K76 PolarHBondContact O-N 3.37Å; I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.34Å
74Y83.7Confident83.8Confident146 Ų146101.2 Ų101.257%0.57351%0.512SS*.Hα-helixtrans-63.6-44178.3-83.4-75.4000112.3V70 V71 R77 L78V70-Y74 HydrophobicContact CG1-CD2 3.7Å; V70-Y74 HydrophobicContact CG1-CE2 3.56Å; V70-Y74 VanDerWaalsContact O-CD2 3.26Å; V70-Y74 WeakPolarHBondContact O-CD2 3.22Å; V70-Y74 PolarHBondContact O-N 3.37Å; V71-Y74 PolarHBondContact O-N 3.4Å; V71-Y74 VanDerWaalsContact O-N 3.16Å; Y74-R77 PolarHBondContact O-N 3.19Å; Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.81Å
75V86.6Confident84.4Confident68 Ų68108.3 Ų108.341%0.41253%0.529SS..Hα-helixtrans-61.5-45.7176.5171.70000110.8V71 S72 R77 L78 N79V71-V75 HydrophobicContact CG1-CG2 4.18Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 2.95Å; S72-V75 PolarHBondContact O-N 3.41Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.36Å; V75-L78 PolarHBondContact O-N 3.18Å; V75-N79 PolarHBondContact O-N 2.69Å
76K88.3Confident84.8Confident146 Ų146105.3 Ų105.364%0.63552%0.517SS*.Hα-helixtrans-58.5-41.7174.9-75.6178.6-177.9-176.10112.2S72 I73 K80S72-K76 WeakPolarHBondContact O-CB 3.28Å; S72-K76 VanDerWaalsContact O-CG 3.31Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.16Å; I73-K76 PolarHBondContact O-N 3.37Å; K76-K80 WeakPolarHBondContact O-CB 3.26Å; K76-K80 PolarHBondContact O-N 3.31Å
77R88.5Confident85Confident158 Ų158102 Ų10260%0.59651%0.511SS*.Hα-helixtrans-65.8-39.8176.6-73.9177.8180-170.31.4112.3I73 Y74 V75 R81I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.34Å; Y74-R77 PolarHBondContact O-N 3.19Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.36Å; R77-R81 WeakPolarHBondContact O-CG 2.81Å; R77-R81 PolarHBondContact O-N 2.99Å; R77-R81 VanDerWaalsContact O-N 3.09Å
78L89Confident84.9Confident103 Ų103103.5 Ų103.554%0.53952%0.516SS..Hα-helixtrans-67.4-46.1177-76.9168.7000111.6Y74 V75 K80 R81 L82Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.81Å; V75-L78 PolarHBondContact O-N 3.18Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.36Å; L78-R81 WeakPolarHBondContact O-CA 3.47Å; L78-R81 WeakPolarHBondContact O-CB 3.29Å; L78-R81 PolarHBondContact O-N 3.34Å; L78-L82 PolarHBondContact O-N 3.07Å
79N87.6Confident84.5Confident83 Ų83106.2 Ų106.244%0.44452%0.522SS..Hα-helixtrans-58.1-45.9175-73.1-8.9000110.8V75 R81 L82 D83V75-N79 PolarHBondContact O-N 2.69Å; N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 3.33Å; N79-L82 WeakPolarHBondContact O-CB 3.37Å; N79-L82 PolarHBondContact O-N 3.3Å; N79-L82 VanDerWaalsContact O-N 3.08Å; N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 VanDerWaalsContact O-CG 3.25Å; N79-D83 PolarHBondContact O-N 3.05Å
80K90Very high83.9Confident142 Ų142113.9 Ų113.962%0.61754%0.54SS*.Hα-helixtrans-57.1-39.9174.5-174.4175.9-179.5177.90112.6K76 L78 M84K76-K80 WeakPolarHBondContact O-CB 3.26Å; K76-K80 PolarHBondContact O-N 3.31Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.36Å; K80-M84 VanDerWaalsContact O-CG 3.25Å; K80-M84 WeakPolarHBondContact O-CG 3.34Å; K80-M84 PolarHBondContact O-N 3.45Å; K80-M84 VanDerWaalsContact O-N 3.07Å
81R88.8Confident83.1Confident170 Ų170115 Ų11564%0.64256%0.556SS**Hα-helixtrans-68.3-38.1176.2-74.3-179.9177.6-151-1.5112.6R77 L78 N79 M84 R85R77-R81 WeakPolarHBondContact O-CG 2.81Å; R77-R81 PolarHBondContact O-N 2.99Å; R77-R81 VanDerWaalsContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CA 3.47Å; L78-R81 WeakPolarHBondContact O-CB 3.29Å; L78-R81 PolarHBondContact O-N 3.34Å; N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 3.33Å; R81-M84 HydrophobicContact CB-CE 4.46Å; R81-M84 HydrophobicContact CG-CE 4.08Å; R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 3.22Å
82L89.1Confident81.8Confident99 Ų99121.9 Ų121.952%0.51858%0.583SS.*Hα-helixtrans-66.5-46.7175.4-75.6166.1000111.1L78 N79 M84 R85 L86L78-L82 PolarHBondContact O-N 3.07Å; N79-L82 WeakPolarHBondContact O-CB 3.37Å; N79-L82 PolarHBondContact O-N 3.3Å; N79-L82 VanDerWaalsContact O-N 3.08Å; L82-M84 VanDerWaalsContact C-N 3.32Å; L82-M84 PolarHBondContact O-N 3.44Å; L82-R85 PolarHBondContact O-N 3.45Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.4Å
83D89.1Confident81.7Confident102 Ų102125.2 Ų125.255%0.54559%0.593SS.*Hα-helixtrans-59.7-42.6177.9-67.7-25.8000111.3N79 L86 S87N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 VanDerWaalsContact O-CG 3.25Å; N79-D83 PolarHBondContact O-N 3.05Å; D83-L86 PolarHBondContact O-N 2.89Å; D83-S87 WeakPolarHBondContact O-CB 3.32Å; D83-S87 PolarHBondContact O-N 3.42Å; D83-S87 PolarHBondContact O-OG 3.44Å
84M86.5Confident81.5Confident86 Ų86127.3 Ų127.342%0.42460%0.601SS.*Hα-helixtrans-59.8-48.9175-73.9-176.4-51.100111.6K80 R81 L82 L86 S87 E88K80-M84 VanDerWaalsContact O-CG 3.25Å; K80-M84 WeakPolarHBondContact O-CG 3.34Å; K80-M84 PolarHBondContact O-N 3.45Å; K80-M84 VanDerWaalsContact O-N 3.07Å; R81-M84 HydrophobicContact CB-CE 4.46Å; R81-M84 HydrophobicContact CG-CE 4.08Å; L82-M84 VanDerWaalsContact C-N 3.32Å; L82-M84 PolarHBondContact O-N 3.44Å; M84-L86 PolarHBondContact O-N 2.92Å; M84-S87 WeakPolarHBondContact CA-OG 3.39Å; M84-S87 PolarHBondContact O-N 3.26Å; M84-S87 PolarHBondContact O-OG 2.86Å; M84-E88 WeakPolarHBondContact O-CG 3.24Å; M84-E88 PolarHBondContact O-N 2.92Å
85R84.9Confident81.4Confident182 Ų182126.2 Ų126.269%0.68760%0.602SS**Hα-helixtrans-64.3-40.8179-70.4-160.6-176.7-1280.6112.9R81 L82 S87 E88 D89R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 3.22Å; L82-R85 PolarHBondContact O-N 3.45Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 3.46Å; R85-E88 PolarHBondContact O-N 3.43Å; R85-D89 PolarHBondContact O-N 3.04Å
86L82.8Confident81.1Confident94 Ų94129.6 Ų129.649%0.49261%0.613SS.*Hα-helixtrans-67.7-27.1176.5-72.1172.3000112.8L82 D83 M84 R90L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.4Å; D83-L86 PolarHBondContact O-N 2.89Å; M84-L86 PolarHBondContact O-N 2.92Å; L86-R90 WeakPolarHBondContact O-CG 3.43Å
87S81Confident80.6Confident69 Ų69128.6 Ų128.648%0.48361%0.612SS.*Hα-helixtrans-78.4-34.8174.367.50000112.8D83 M84 R85 R90 A91D83-S87 WeakPolarHBondContact O-CB 3.32Å; D83-S87 PolarHBondContact O-N 3.42Å; D83-S87 PolarHBondContact O-OG 3.44Å; M84-S87 WeakPolarHBondContact CA-OG 3.39Å; M84-S87 PolarHBondContact O-N 3.26Å; M84-S87 PolarHBondContact O-OG 2.86Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 3.46Å; S87-R90 PolarHBondContact O-N 3.19Å; S87-A91 PolarHBondContact O-N 3.4Å
88E75.9Confident80.1Confident122 Ų122126.7 Ų126.757%0.5761%0.613SS**Hα-helixtrans-64.6-46.9173.3-72.8167.7176.500110.4M84 R85 R90 A91M84-E88 WeakPolarHBondContact O-CG 3.24Å; M84-E88 PolarHBondContact O-N 2.92Å; R85-E88 PolarHBondContact O-N 3.43Å; E88-R90 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact O-N 3.08Å; E88-A91 PolarHBondContact O-N 3.36Å
89D69.3Low79.4Confident116 Ų116128.4 Ų128.462%0.6262%0.618SS**THydrogen-bonded Turntrans-61.7-17.9177-74.6-8000114R85R85-D89 PolarHBondContact O-N 3.04Å
90R67.4Low78.8Confident215 Ų215131.8 Ų131.881%0.81163%0.632SS**THydrogen-bonded Turntrans-94.9-12.5177-74.4-177.4-167.8-171.64.4113.7L86 S87 E88L86-R90 WeakPolarHBondContact O-CG 3.43Å; S87-R90 PolarHBondContact O-N 3.19Å; E88-R90 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact O-N 3.08Å
91A65.9Low77.9Confident90 Ų90131 Ų13174%0.74463%0.633SS**THydrogen-bonded Turntrans-93.4-12.1-179.700000112.6S87 E88S87-A91 PolarHBondContact O-N 3.4Å; E88-A91 PolarHBondContact O-N 3.36Å
92E54.1Low76.9Confident227 Ų227127.5 Ų127.5100%1.06163%0.632SS**  trans-89.80167.3-64.9-173.7172.200111.7

Retrieved 92 of 92 residues in 218.3 ms (Link to these results)