A0A5K4F7T3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 64 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
1M54.1Low66.9Low207 Ų207140.4 Ų140.4100%1.0266%0.659SS**  0-34.70-107.2175.3168.200114.2Y3 F4M1-Y3 PolarHBondContact O-N 3.27Å; M1-F4 PolarHBondContact O-N 3.26Å
2Y58.4Low67.5Low218 Ų218140.7 Ų140.786%0.85566%0.656SS**Hα-helixtrans-63.9-31.9-176.6-68.5-77.6000116.3F4Y2-F4 PolarHBondContact O-N 3.4Å
3Y62.5Low68.6Low225 Ų225132.2 Ų132.288%0.88263%0.63SS**Hα-helixtrans-69.7-18.4176.1-65.9-76.4000114.1M1 G7M1-Y3 PolarHBondContact O-N 3.27Å; Y3-G7 PolarHBondContact O-N 3.04Å
4F64.4Low69.7Low162 Ų162135.1 Ų135.171%0.71163%0.631SS**Hα-helixtrans-80.4-35.9-173.4-139.3-97000112.5M1 Y2 L8M1-F4 PolarHBondContact O-N 3.26Å; Y2-F4 PolarHBondContact O-N 3.4Å; F4-L8 HydrophobicContact CD1-CD1 4.26Å; F4-L8 PolarHBondContact O-N 3.08Å
5I68.8Low70.8Confident104 Ų104130.6 Ų130.653%0.53362%0.621SS.*Hα-helixtrans-68.6-46.4176-76108.2000110.9G7 L8 F9I5-G7 VanDerWaalsContact C-N 3.3Å; I5-G7 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 3.27Å; I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.85Å; I5-F9 WeakPolarHBondContact O-CD2 3.27Å; I5-F9 PolarHBondContact O-N 3.47Å; I5-F9 VanDerWaalsContact O-N 3.16Å
6G71.4Confident71.9Confident45 Ų45127.5 Ų127.546%0.46461%0.613SS.*Hα-helixtrans-59.3-39.2178.500000113.1F9 Y10G6-F9 PolarHBondContact O-N 3.39Å; G6-Y10 WeakPolarHBondContact O-CB 3.39Å; G6-Y10 PolarHBondContact O-N 3.03Å
7G72.5Confident73Confident31 Ų31126.4 Ų126.432%0.3261%0.61SS.*Hα-helixtrans-65-40.1176.900000114Y3 I5 Y10 Q11Y3-G7 PolarHBondContact O-N 3.04Å; I5-G7 VanDerWaalsContact C-N 3.3Å; I5-G7 PolarHBondContact O-N 3.42Å; G7-Y10 PolarHBondContact O-N 3.38Å; G7-Q11 WeakPolarHBondContact O-CB 3.39Å; G7-Q11 WeakPolarHBondContact O-CG 3.43Å; G7-Q11 PolarHBondContact O-N 3.29Å
8L65.5Low73.9Confident89 Ų89129.9 Ų129.947%0.46662%0.616SS.*Hα-helixtrans-66.2-41.5176.5-86160000112.2F4 I5 K12F4-L8 HydrophobicContact CD1-CD1 4.26Å; F4-L8 PolarHBondContact O-N 3.08Å; I5-L8 PolarHBondContact O-N 3.27Å; L8-K12 WeakPolarHBondContact O-CB 3.31Å; L8-K12 WeakPolarHBondContact O-CG 3.49Å; L8-K12 PolarHBondContact O-N 2.95Å
9F68.9Low74.8Confident157 Ų157130.5 Ų130.569%0.68962%0.616SS**Hα-helixtrans-67.7-38.6174.4-82.5-81.6000112I5 G6 K12 G13I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.85Å; I5-F9 WeakPolarHBondContact O-CD2 3.27Å; I5-F9 PolarHBondContact O-N 3.47Å; I5-F9 VanDerWaalsContact O-N 3.16Å; G6-F9 PolarHBondContact O-N 3.39Å; F9-K12 PolarHBondContact O-N 3.49Å; F9-G13 PolarHBondContact O-N 2.88Å
10Y75Confident75.6Confident166 Ų166127.8 Ų127.865%0.65160%0.604SS**Hα-helixtrans-64.7-41.7175.6-169.9-100.8000112.2G6 G7 G13 R14G6-Y10 WeakPolarHBondContact O-CB 3.39Å; G6-Y10 PolarHBondContact O-N 3.03Å; G7-Y10 PolarHBondContact O-N 3.38Å; Y10-G13 PolarHBondContact O-N 3.35Å; Y10-R14 VanDerWaalsContact O-CB 3.27Å; Y10-R14 WeakPolarHBondContact O-CB 3.23Å; Y10-R14 PolarHBondContact O-N 2.92Å
11Q74.7Confident76.4Confident140 Ų140124.2 Ų124.265%0.65459%0.593SS**Hα-helixtrans-65.6-44.8176-75-176.636.600112.2G7 R14 S15G7-Q11 WeakPolarHBondContact O-CB 3.39Å; G7-Q11 WeakPolarHBondContact O-CG 3.43Å; G7-Q11 PolarHBondContact O-N 3.29Å; Q11-R14 PolarHBondContact O-N 2.84Å; Q11-S15 PolarHBondContact O-N 3.19Å; Q11-S15 VanDerWaalsContact O-N 3.08Å; Q11-S15 PolarHBondContact O-OG 3.43Å
12K73.9Confident78.2Confident144 Ų144116.5 Ų116.563%0.62656%0.56SS**Hα-helixtrans-65.2-39.3176-75.2-176.1177.7-177.50112.5L8 F9 S15 V16L8-K12 WeakPolarHBondContact O-CB 3.31Å; L8-K12 WeakPolarHBondContact O-CG 3.49Å; L8-K12 PolarHBondContact O-N 2.95Å; F9-K12 PolarHBondContact O-N 3.49Å; K12-S15 PolarHBondContact O-OG 3.36Å; K12-V16 WeakPolarHBondContact O-CG2 3.38Å; K12-V16 PolarHBondContact O-N 3.5Å
13G82.3Confident79.8Confident31 Ų31111.4 Ų111.432%0.3254%0.543SS..Hα-helixtrans-65.3-43175.600000112F9 Y10 S15 V16 I17F9-G13 PolarHBondContact O-N 2.88Å; Y10-G13 PolarHBondContact O-N 3.35Å; G13-S15 PolarHBondContact O-N 3.02Å; G13-V16 PolarHBondContact O-N 3.41Å; G13-I17 WeakPolarHBondContact O-CD1 3.38Å; G13-I17 VanDerWaalsContact O-CG1 3.26Å; G13-I17 WeakPolarHBondContact O-CG1 3.3Å; G13-I17 PolarHBondContact O-N 3.4Å
14R83.1Confident81.3Confident172 Ų172106.5 Ų106.565%0.64953%0.526SS*.Hα-helixtrans-64.4-38.9178.9-171.1175.6-177.4-178.91.5112.5Y10 Q11 I17 W18Y10-R14 VanDerWaalsContact O-CB 3.27Å; Y10-R14 WeakPolarHBondContact O-CB 3.23Å; Y10-R14 PolarHBondContact O-N 2.92Å; Q11-R14 PolarHBondContact O-N 2.84Å; R14-I17 PolarHBondContact O-N 2.94Å; R14-W18 WeakPolarHBondContact O-CB 3.49Å; R14-W18 PolarHBondContact O-N 3.46Å
15S87.1Confident82.7Confident68 Ų68106 Ų10648%0.47652%0.523SS..Hα-helixtrans-67.1-40.2177.162.90000112Q11 K12 G13 W18 F19Q11-S15 PolarHBondContact O-N 3.19Å; Q11-S15 VanDerWaalsContact O-N 3.08Å; Q11-S15 PolarHBondContact O-OG 3.43Å; K12-S15 PolarHBondContact O-OG 3.36Å; G13-S15 PolarHBondContact O-N 3.02Å; S15-W18 PolarHBondContact O-N 2.96Å; S15-F19 WeakPolarHBondContact O-CB 3.28Å; S15-F19 PolarHBondContact O-N 3.28Å
16V88.2Confident84Confident81 Ų81105.4 Ų105.449%0.49152%0.521SS..Hα-helixtrans-64.3-45175.2173.50000111.2K12 G13 W18 F19 I20K12-V16 WeakPolarHBondContact O-CG2 3.38Å; K12-V16 PolarHBondContact O-N 3.5Å; G13-V16 PolarHBondContact O-N 3.41Å; V16-W18 VanDerWaalsContact C-N 3.31Å; V16-W18 PolarHBondContact O-N 2.84Å; V16-F19 PolarHBondContact O-N 3.32Å; V16-I20 HydrophobicContact CG1-CD1 3.59Å; V16-I20 HydrophobicContact CG1-CG1 4.29Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.24Å; V16-I20 WeakPolarHBondContact O-CG1 3Å; V16-I20 PolarHBondContact O-N 2.72Å
17I89.7Confident85.1Confident109 Ų109106 Ų10656%0.55951%0.513SS*.Hα-helixtrans-61.3-41.8176.6-66.9162.1000110.9G13 R14 S21G13-I17 WeakPolarHBondContact O-CD1 3.38Å; G13-I17 VanDerWaalsContact O-CG1 3.26Å; G13-I17 WeakPolarHBondContact O-CG1 3.3Å; G13-I17 PolarHBondContact O-N 3.4Å; R14-I17 PolarHBondContact O-N 2.94Å; I17-S21 VanDerWaalsContact O-CB 3.27Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.2Å; I17-S21 PolarHBondContact O-OG 3.38Å
18W89.2Confident86.2Confident189 Ų189108 Ų10872%0.71652%0.522SS*.Hα-helixtrans-65.8-42.1177.9-171.276.8000111.7R14 S15 V16 S21 S22R14-W18 WeakPolarHBondContact O-CB 3.49Å; R14-W18 PolarHBondContact O-N 3.46Å; S15-W18 PolarHBondContact O-N 2.96Å; V16-W18 VanDerWaalsContact C-N 3.31Å; V16-W18 PolarHBondContact O-N 2.84Å; W18-S21 PolarHBondContact O-N 2.84Å; W18-S22 PolarHBondContact O-N 2.94Å
19F91.4Very high87.7Confident141 Ų141110.7 Ų110.762%0.61853%0.53SS*.Hα-helixtrans-61.3-49.7175.6-177.8-97.8000111.9S15 V16 S21 S22 F23S15-F19 WeakPolarHBondContact O-CB 3.28Å; S15-F19 PolarHBondContact O-N 3.28Å; V16-F19 PolarHBondContact O-N 3.32Å; F19-S21 VanDerWaalsContact C-N 3.29Å; F19-S21 PolarHBondContact O-N 3.38Å; F19-S22 PolarHBondContact O-N 3.38Å; F19-F23 WeakPolarHBondContact O-CB 3.36Å; F19-F23 PolarHBondContact O-N 3.34Å
20I91.9Very high89Confident76 Ų76107.5 Ų107.539%0.3952%0.52SS..Hα-helixtrans-59.8-42.8177.1-68.8166.8000110.4V16 S22 F23 F24V16-I20 HydrophobicContact CG1-CD1 3.59Å; V16-I20 HydrophobicContact CG1-CG1 4.29Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.24Å; V16-I20 WeakPolarHBondContact O-CG1 3Å; V16-I20 PolarHBondContact O-N 2.72Å; I20-S22 PolarHBondContact O-N 2.94Å; I20-F23 PolarHBondContact O-N 2.89Å; I20-F24 HydrophobicContact CG2-CD2 3.51Å; I20-F24 HydrophobicContact CG2-CE2 3.33Å; I20-F24 WeakPolarHBondContact O-CD2 3.38Å; I20-F24 PolarHBondContact O-N 3.21Å
21S91.8Very high90.1Very high53 Ų53104 Ų10437%0.37151%0.51SS..Hα-helixtrans-65.3-37.9178.9-60.30000112.5I17 W18 F19 K25I17-S21 VanDerWaalsContact O-CB 3.27Å; I17-S21 WeakPolarHBondContact O-CB 3.48Å; I17-S21 PolarHBondContact O-N 3.2Å; I17-S21 PolarHBondContact O-OG 3.38Å; W18-S21 PolarHBondContact O-N 2.84Å; F19-S21 VanDerWaalsContact C-N 3.29Å; F19-S21 PolarHBondContact O-N 3.38Å; S21-K25 WeakPolarHBondContact O-CG 3.31Å; S21-K25 PolarHBondContact O-N 2.98Å
22S91.7Very high91.2Very high46 Ų46102.5 Ų102.532%0.32251%0.507SS..Hα-helixtrans-65.6-47.2173.6-164.50000110.7W18 F19 I20 F24 K25 D26W18-S22 PolarHBondContact O-N 2.94Å; F19-S22 PolarHBondContact O-N 3.38Å; I20-S22 PolarHBondContact O-N 2.94Å; S22-F24 VanDerWaalsContact C-N 3.32Å; S22-F24 PolarHBondContact O-N 3.46Å; S22-K25 WeakPolarHBondContact O-CB 3.36Å; S22-K25 PolarHBondContact O-N 2.89Å; S22-D26 PolarHBondContact O-N 3.2Å
23F93.1Very high92.3Very high111 Ų11198.2 Ų98.249%0.48750%0.495SS..Hα-helixtrans-58.1-43179.1-177.8-106.6000112.4F19 I20 K25 D26 I27F19-F23 WeakPolarHBondContact O-CB 3.36Å; F19-F23 PolarHBondContact O-N 3.34Å; I20-F23 PolarHBondContact O-N 2.89Å; F23-K25 VanDerWaalsContact C-N 3.35Å; F23-K25 PolarHBondContact O-N 2.86Å; F23-D26 PolarHBondContact O-N 3.22Å; F23-I27 HydrophobicContact CD1-CD1 3.7Å; F23-I27 HydrophobicContact CE1-CD1 3.2Å; F23-I27 HydrophobicContact CE1-CG1 4.32Å; F23-I27 HydrophobicContact CE2-CD1 4.19Å; F23-I27 HydrophobicContact CG-CD1 4.39Å; F23-I27 HydrophobicContact CZ-CD1 3.49Å; F23-I27 VanDerWaalsContact CZ-CD1 3.49Å; F23-I27 HydrophobicContact CZ-CG1 4.33Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 2.93Å
24F93.1Very high93Very high122 Ų122100.6 Ų100.654%0.53550%0.499SS..Hα-helixtrans-66.6-33.1175.7-81.8-64000113.5I20 S22 S28I20-F24 HydrophobicContact CG2-CD2 3.51Å; I20-F24 HydrophobicContact CG2-CE2 3.33Å; I20-F24 WeakPolarHBondContact O-CD2 3.38Å; I20-F24 PolarHBondContact O-N 3.21Å; S22-F24 VanDerWaalsContact C-N 3.32Å; S22-F24 PolarHBondContact O-N 3.46Å; F24-S28 VanDerWaalsContact O-CB 3.27Å; F24-S28 WeakPolarHBondContact O-CB 3.31Å; F24-S28 PolarHBondContact O-N 3.43Å; F24-S28 PolarHBondContact O-OG 3.37Å
25K94.1Very high93.7Very high151 Ų15199.2 Ų99.266%0.65750%0.498SS*.Hα-helixtrans-64.7-44173.9-74.5173.4179.6-175.80111S21 S22 F23 S28 F29S21-K25 WeakPolarHBondContact O-CG 3.31Å; S21-K25 PolarHBondContact O-N 2.98Å; S22-K25 WeakPolarHBondContact O-CB 3.36Å; S22-K25 PolarHBondContact O-N 2.89Å; F23-K25 VanDerWaalsContact C-N 3.35Å; F23-K25 PolarHBondContact O-N 2.86Å; K25-S28 PolarHBondContact O-N 3.31Å; K25-F29 WeakPolarHBondContact O-CB 3.49Å; K25-F29 PolarHBondContact O-N 2.91Å
26D95Very high94.2Very high91 Ų91100.8 Ų100.849%0.48750%0.499SS..Hα-helixtrans-64.6-44.9179.6-61.2-30.9000111.2S22 F23 S28 F29 I30S22-D26 PolarHBondContact O-N 3.2Å; F23-D26 PolarHBondContact O-N 3.22Å; D26-S28 PolarHBondContact O-N 3.45Å; D26-F29 PolarHBondContact O-N 3.3Å; D26-I30 WeakPolarHBondContact O-CG1 3.36Å; D26-I30 PolarHBondContact O-N 3.28Å
27I95.8Very high94.7Very high58 Ų58103.8 Ų103.830%0.29751%0.506SS..Hα-helixtrans-60.5-46.1173.6-69.9174.2000111F23 F29 I30 M31F23-I27 HydrophobicContact CD1-CD1 3.7Å; F23-I27 HydrophobicContact CE1-CD1 3.2Å; F23-I27 HydrophobicContact CE1-CG1 4.32Å; F23-I27 HydrophobicContact CE2-CD1 4.19Å; F23-I27 HydrophobicContact CG-CD1 4.39Å; F23-I27 HydrophobicContact CZ-CD1 3.49Å; F23-I27 VanDerWaalsContact CZ-CD1 3.49Å; F23-I27 HydrophobicContact CZ-CG1 4.33Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 2.93Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 3.07Å; I27-I30 PolarHBondContact O-N 3.35Å; I27-M31 HydrophobicContact CG2-CE 4.47Å; I27-M31 HydrophobicContact CG2-CG 4.07Å; I27-M31 WeakPolarHBondContact O-CB 3.35Å; I27-M31 VanDerWaalsContact O-CG 3.3Å; I27-M31 WeakPolarHBondContact O-CG 3.37Å; I27-M31 PolarHBondContact O-N 2.91Å
28S95.7Very high95Very high72 Ų72102.8 Ų102.850%0.50350%0.501SS..Hα-helixtrans-60.3-39.8-179.4-61.20000111.3F24 K25 D26 N32F24-S28 VanDerWaalsContact O-CB 3.27Å; F24-S28 WeakPolarHBondContact O-CB 3.31Å; F24-S28 PolarHBondContact O-N 3.43Å; F24-S28 PolarHBondContact O-OG 3.37Å; K25-S28 PolarHBondContact O-N 3.31Å; D26-S28 PolarHBondContact O-N 3.45Å; S28-N32 VanDerWaalsContact O-CB 3.31Å; S28-N32 WeakPolarHBondContact O-CB 3.5Å; S28-N32 PolarHBondContact O-N 3.38Å
29F96.4Very high95.4Very high146 Ų146100.6 Ų100.664%0.6449%0.494SS*.Hα-helixtrans-63.5-44.8175.6179.5-97.4000112.3K25 D26 I27 N32 S33K25-F29 WeakPolarHBondContact O-CB 3.49Å; K25-F29 PolarHBondContact O-N 2.91Å; D26-F29 PolarHBondContact O-N 3.3Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 3.07Å; F29-N32 PolarHBondContact O-N 3.43Å; F29-S33 WeakPolarHBondContact O-CB 3.45Å; F29-S33 PolarHBondContact O-N 3.46Å; F29-S33 PolarHBondContact O-OG 3.03Å
30I97Very high95.7Very high90 Ų9097.8 Ų97.846%0.46248%0.484SS..Hα-helixtrans-62.7-48177-67.9164.8000110.5D26 I27 N32 S33 I34D26-I30 WeakPolarHBondContact O-CG1 3.36Å; D26-I30 PolarHBondContact O-N 3.28Å; I27-I30 PolarHBondContact O-N 3.35Å; I30-N32 PolarHBondContact O-N 3.36Å; I30-S33 WeakPolarHBondContact O-CB 3.34Å; I30-S33 PolarHBondContact O-N 2.89Å; I30-S33 VanDerWaalsContact O-N 3.16Å; I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 2.95Å
31M97.5Very high95.9Very high93 Ų9399.2 Ų99.246%0.45849%0.489SS..Hα-helixtrans-61.1-44.8179.4-68.3-62.4150.800111.2I27 S33 I34 F35I27-M31 HydrophobicContact CG2-CE 4.47Å; I27-M31 HydrophobicContact CG2-CG 4.07Å; I27-M31 WeakPolarHBondContact O-CB 3.35Å; I27-M31 VanDerWaalsContact O-CG 3.3Å; I27-M31 WeakPolarHBondContact O-CG 3.37Å; I27-M31 PolarHBondContact O-N 2.91Å; M31-S33 VanDerWaalsContact C-N 3.28Å; M31-S33 PolarHBondContact O-N 3.44Å; M31-I34 PolarHBondContact O-N 3.24Å; M31-I34 HydrophobicContact SD-CD1 4.44Å; M31-F35 HydrophobicContact CB-CD2 4.49Å; M31-F35 HydrophobicContact CB-CE2 4.44Å; M31-F35 WeakPolarHBondContact O-CD2 3.3Å; M31-F35 PolarHBondContact O-N 2.95Å
32N96.7Very high96Very high109 Ų109102.3 Ų102.358%0.58350%0.499SS*.Hα-helixtrans-60.8-38.2176.4-170.252.8000112.4S28 F29 I30 F35 M36S28-N32 VanDerWaalsContact O-CB 3.31Å; S28-N32 WeakPolarHBondContact O-CB 3.5Å; S28-N32 PolarHBondContact O-N 3.38Å; F29-N32 PolarHBondContact O-N 3.43Å; I30-N32 PolarHBondContact O-N 3.36Å; N32-F35 PolarHBondContact O-N 2.96Å; N32-M36 WeakPolarHBondContact O-CB 3.5Å; N32-M36 PolarHBondContact O-N 2.91Å
33S97.3Very high96.2Very high53 Ų53103 Ų10337%0.37150%0.499SS..Hα-helixtrans-66.3-41.2176.4-58.50000112.1F29 I30 M31 M36 F37F29-S33 WeakPolarHBondContact O-CB 3.45Å; F29-S33 PolarHBondContact O-N 3.46Å; F29-S33 PolarHBondContact O-OG 3.03Å; I30-S33 WeakPolarHBondContact O-CB 3.34Å; I30-S33 PolarHBondContact O-N 2.89Å; I30-S33 VanDerWaalsContact O-N 3.16Å; M31-S33 VanDerWaalsContact C-N 3.28Å; M31-S33 PolarHBondContact O-N 3.44Å; S33-M36 PolarHBondContact O-N 3.21Å; S33-F37 WeakPolarHBondContact O-CB 3.4Å; S33-F37 PolarHBondContact O-N 3.16Å
34I97.6Very high96.2Very high81 Ų81101.9 Ų101.942%0.41550%0.498SS..Hα-helixtrans-64-46.1174.9-66.3166000110.4I30 M31 M36 F37 I38I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 HydrophobicContact CG2-CG1 4.5Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 2.95Å; M31-I34 PolarHBondContact O-N 3.24Å; M31-I34 HydrophobicContact SD-CD1 4.44Å; I34-M36 VanDerWaalsContact C-N 3.33Å; I34-M36 PolarHBondContact O-N 2.96Å; I34-F37 PolarHBondContact O-N 3.01Å; I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.45Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.46Å
35F98Very high96.2Very high144 Ų14499.1 Ų99.163%0.63249%0.491SS*.Hα-helixtrans-58.7-44.9175.9-81.2-64.9000111.8M31 N32 F37 I38 Y39M31-F35 HydrophobicContact CB-CD2 4.49Å; M31-F35 HydrophobicContact CB-CE2 4.44Å; M31-F35 WeakPolarHBondContact O-CD2 3.3Å; M31-F35 PolarHBondContact O-N 2.95Å; N32-F35 PolarHBondContact O-N 2.96Å; F35-F37 VanDerWaalsContact C-N 3.34Å; F35-F37 PolarHBondContact O-N 3.43Å; F35-I38 PolarHBondContact O-N 3.4Å; F35-Y39 WeakPolarHBondContact O-CB 3.07Å; F35-Y39 PolarHBondContact O-N 2.69Å
36M97.6Very high96.2Very high100 Ų10099.1 Ų99.149%0.49349%0.488SS..Hα-helixtrans-62.8-40.9177.5-172.462.7-179.300112N32 S33 I34 Y39 L40N32-M36 WeakPolarHBondContact O-CB 3.5Å; N32-M36 PolarHBondContact O-N 2.91Å; S33-M36 PolarHBondContact O-N 3.21Å; I34-M36 VanDerWaalsContact C-N 3.33Å; I34-M36 PolarHBondContact O-N 2.96Å; M36-Y39 PolarHBondContact O-N 2.91Å; M36-Y39 HydrophobicContact SD-CD1 4.39Å; M36-L40 HydrophobicContact CE-CD1 4.11Å; M36-L40 HydrophobicContact CE-CD2 4.25Å; M36-L40 HydrophobicContact CE-CG 4.13Å; M36-L40 HydrophobicContact CG-CD1 4.29Å; M36-L40 WeakPolarHBondContact O-CG 3.45Å; M36-L40 PolarHBondContact O-N 3.36Å
37F97.9Very high96Very high145 Ų14599.1 Ų99.164%0.63649%0.487SS*.Hα-helixtrans-62.4-47.7176.3178.6-98000112S33 I34 F35 Y39 L40 H41S33-F37 WeakPolarHBondContact O-CB 3.4Å; S33-F37 PolarHBondContact O-N 3.16Å; I34-F37 PolarHBondContact O-N 3.01Å; F35-F37 VanDerWaalsContact C-N 3.34Å; F35-F37 PolarHBondContact O-N 3.43Å; F37-Y39 VanDerWaalsContact C-N 3.3Å; F37-Y39 PolarHBondContact O-N 3.47Å; F37-L40 PolarHBondContact O-N 3.44Å; F37-H41 WeakPolarHBondContact O-CB 3.31Å; F37-H41 PolarHBondContact O-N 2.94Å
38I97.5Very high95.7Very high87 Ų87100.6 Ų100.645%0.44650%0.495SS..Hα-helixtrans-60.4-43.6176.9-66.9167.4000110.3I34 F35 H41 M42I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.45Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.46Å; F35-I38 PolarHBondContact O-N 3.4Å; I38-H41 WeakPolarHBondContact O-CB 3.34Å; I38-H41 PolarHBondContact O-N 2.86Å; I38-M42 HydrophobicContact CG2-CG 4.41Å; I38-M42 VanDerWaalsContact O-CG 3.31Å; I38-M42 WeakPolarHBondContact O-CG 3.49Å; I38-M42 PolarHBondContact O-N 2.86Å
39Y97.2Very high95.6Very high144 Ų144100.3 Ų100.357%0.56549%0.491SS*.Hα-helixtrans-60.3-48.7178.6178.6-105.1000112.3F35 M36 F37 H41 M42 I43F35-Y39 WeakPolarHBondContact O-CB 3.07Å; F35-Y39 PolarHBondContact O-N 2.69Å; M36-Y39 PolarHBondContact O-N 2.91Å; M36-Y39 HydrophobicContact SD-CD1 4.39Å; F37-Y39 VanDerWaalsContact C-N 3.3Å; F37-Y39 PolarHBondContact O-N 3.47Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.28Å; Y39-M42 PolarHBondContact O-N 3.35Å; Y39-I43 HydrophobicContact CD1-CD1 3.87Å; Y39-I43 HydrophobicContact CE1-CD1 3.31Å; Y39-I43 HydrophobicContact CE1-CG1 4.48Å; Y39-I43 HydrophobicContact CE2-CD1 4.11Å; Y39-I43 HydrophobicContact CG-CD1 4.48Å; Y39-I43 VanDerWaalsContact CZ-CD1 3.46Å; Y39-I43 WeakPolarHBondContact O-CG1 3.45Å; Y39-I43 PolarHBondContact O-N 2.93Å; Y39-I43 VanDerWaalsContact O-N 3.07Å
40L96.3Very high95.1Very high81 Ų8196.4 Ų96.442%0.42448%0.477SS..Hα-helixtrans-62.4-40.3176.2-73171.8000111.9M36 F37 I43 N44M36-L40 HydrophobicContact CE-CD1 4.11Å; M36-L40 HydrophobicContact CE-CD2 4.25Å; M36-L40 HydrophobicContact CE-CG 4.13Å; M36-L40 HydrophobicContact CG-CD1 4.29Å; M36-L40 WeakPolarHBondContact O-CG 3.45Å; M36-L40 PolarHBondContact O-N 3.36Å; F37-L40 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 3.31Å; L40-N44 PolarHBondContact O-N 3.04Å; L40-N44 PolarHBondContact O-ND2 2.94Å
41H96.3Very high94.7Very high106 Ų10699.2 Ų99.249%0.49149%0.485SS..Hα-helixtrans-60.6-46.3176.6-175.570.1000111.6F37 I38 Y39 I43 N44 V45F37-H41 WeakPolarHBondContact O-CB 3.31Å; F37-H41 PolarHBondContact O-N 2.94Å; I38-H41 WeakPolarHBondContact O-CB 3.34Å; I38-H41 PolarHBondContact O-N 2.86Å; Y39-H41 VanDerWaalsContact C-N 3.32Å; Y39-H41 PolarHBondContact O-N 3.28Å; H41-I43 VanDerWaalsContact C-N 3.35Å; H41-I43 PolarHBondContact O-N 3Å; H41-N44 PolarHBondContact O-N 3.19Å; H41-V45 WeakPolarHBondContact O-CG2 3.15Å; H41-V45 PolarHBondContact O-N 3.33Å
42M95.2Very high94.2Very high119 Ų11999.2 Ų99.259%0.58649%0.486SS*.Hα-helixtrans-62.7-39.5178.1-70.7-63.8-69.800112.5I38 Y39 V45 Y46I38-M42 HydrophobicContact CG2-CG 4.41Å; I38-M42 VanDerWaalsContact O-CG 3.31Å; I38-M42 WeakPolarHBondContact O-CG 3.49Å; I38-M42 PolarHBondContact O-N 2.86Å; Y39-M42 PolarHBondContact O-N 3.35Å; M42-V45 PolarHBondContact O-N 3.49Å; M42-Y46 WeakPolarHBondContact O-CB 3.27Å; M42-Y46 PolarHBondContact O-N 3.32Å
43I95.7Very high93.5Very high59 Ų5998.1 Ų98.130%0.30348%0.48SS..Hα-helixtrans-62.2-45174.9-72172.2000110.9Y39 L40 H41 Y46 I47Y39-I43 HydrophobicContact CD1-CD1 3.87Å; Y39-I43 HydrophobicContact CE1-CD1 3.31Å; Y39-I43 HydrophobicContact CE1-CG1 4.48Å; Y39-I43 HydrophobicContact CE2-CD1 4.11Å; Y39-I43 HydrophobicContact CG-CD1 4.48Å; Y39-I43 VanDerWaalsContact CZ-CD1 3.46Å; Y39-I43 WeakPolarHBondContact O-CG1 3.45Å; Y39-I43 PolarHBondContact O-N 2.93Å; Y39-I43 VanDerWaalsContact O-N 3.07Å; L40-I43 PolarHBondContact O-N 3.31Å; H41-I43 VanDerWaalsContact C-N 3.35Å; H41-I43 PolarHBondContact O-N 3Å; I43-Y46 WeakPolarHBondContact O-CB 3.34Å; I43-Y46 PolarHBondContact O-N 3.22Å; I43-I47 HydrophobicContact CG2-CD1 3.64Å; I43-I47 HydrophobicContact CG2-CG1 4.28Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.24Å; I43-I47 PolarHBondContact O-N 2.91Å
44N92.3Very high92.9Very high89 Ų89102.5 Ų102.548%0.47649%0.493SS..Hα-helixtrans-63-45.2179.4-70.8-27.1000111.4L40 H41 Y46 I47 D48L40-N44 PolarHBondContact O-N 3.04Å; L40-N44 PolarHBondContact O-ND2 2.94Å; H41-N44 PolarHBondContact O-N 3.19Å; N44-Y46 VanDerWaalsContact C-N 3.27Å; N44-Y46 PolarHBondContact O-N 3.47Å; N44-I47 PolarHBondContact O-N 3.22Å; N44-D48 WeakPolarHBondContact O-CB 3.44Å; N44-D48 PolarHBondContact O-N 3.32Å
45V94Very high92.1Very high63 Ų63101.2 Ų101.238%0.38249%0.491SS..Hα-helixtrans-58.2-41.4174.2172.10000111.2H41 M42 T49H41-V45 WeakPolarHBondContact O-CG2 3.15Å; H41-V45 PolarHBondContact O-N 3.33Å; M42-V45 PolarHBondContact O-N 3.49Å; V45-T49 VanDerWaalsContact O-CB 3.3Å; V45-T49 WeakPolarHBondContact O-CB 3.27Å; V45-T49 PolarHBondContact O-N 2.9Å; V45-T49 PolarHBondContact O-OG1 3.39Å
46Y93.4Very high91.4Very high151 Ų15197.8 Ų97.859%0.59248%0.478SS*.Hα-helixtrans-65.6-43.4177.2-179.4-104.2000112.5M42 I43 N44 N50M42-Y46 WeakPolarHBondContact O-CB 3.27Å; M42-Y46 PolarHBondContact O-N 3.32Å; I43-Y46 WeakPolarHBondContact O-CB 3.34Å; I43-Y46 PolarHBondContact O-N 3.22Å; N44-Y46 VanDerWaalsContact C-N 3.27Å; N44-Y46 PolarHBondContact O-N 3.47Å; Y46-N50 WeakPolarHBondContact CD1-ND2 3.41Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.38Å; Y46-N50 WeakPolarHBondContact O-CB 3.38Å; Y46-N50 PolarHBondContact O-N 3.41Å; Y46-N50 PolarHBondContact O-ND2 2.9Å; Y46-N50 PolarHBondContact OH-ND2 3.05Å
47I91.7Very high90.5Very high91 Ų9199.7 Ų99.747%0.46748%0.484SS..Hα-helixtrans-64-45.9177.4-69.3168.4000110.5I43 N44 N50 K51I43-I47 HydrophobicContact CG2-CD1 3.64Å; I43-I47 HydrophobicContact CG2-CG1 4.28Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.24Å; I43-I47 PolarHBondContact O-N 2.91Å; N44-I47 PolarHBondContact O-N 3.22Å; I47-N50 PolarHBondContact O-N 2.88Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 2.87Å
48D89.5Confident89.6Confident90 Ų9096.7 Ų96.748%0.48147%0.474SS..Hα-helixtrans-63.4-45179.2-76.4-31000111.3N44 N50 K51 I52N44-D48 WeakPolarHBondContact O-CB 3.44Å; N44-D48 PolarHBondContact O-N 3.32Å; D48-N50 VanDerWaalsContact C-N 3.32Å; D48-N50 PolarHBondContact O-N 3.27Å; D48-K51 PolarHBondContact O-N 3.03Å; D48-I52 WeakPolarHBondContact O-CB 3.26Å; D48-I52 WeakPolarHBondContact O-CD1 3.5Å; D48-I52 VanDerWaalsContact O-CG1 3.23Å; D48-I52 WeakPolarHBondContact O-CG1 3.46Å; D48-I52 PolarHBondContact O-N 2.73Å
49T91.6Very high88.8Confident66 Ų6699 Ų9941%0.40548%0.483SS..Hα-helixtrans-60.5-42.4176-560000111.2V45 I52 N53V45-T49 VanDerWaalsContact O-CB 3.3Å; V45-T49 WeakPolarHBondContact O-CB 3.27Å; V45-T49 PolarHBondContact O-N 2.9Å; V45-T49 PolarHBondContact O-OG1 3.39Å; T49-I52 PolarHBondContact O-N 3.34Å; T49-N53 WeakPolarHBondContact O-CB 3.35Å; T49-N53 PolarHBondContact O-N 2.96Å; T49-N53 PolarHBondContact O-ND2 3.34Å
50N87.6Confident88.1Confident64 Ų6498.9 Ų98.934%0.34249%0.485SS..Hα-helixtrans-67.2-37.6176.3-79.7-24000113.1Y46 I47 D48 I52 N53 K54Y46-N50 WeakPolarHBondContact CD1-ND2 3.41Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.38Å; Y46-N50 WeakPolarHBondContact O-CB 3.38Å; Y46-N50 PolarHBondContact O-N 3.41Å; Y46-N50 PolarHBondContact O-ND2 2.9Å; Y46-N50 PolarHBondContact OH-ND2 3.05Å; I47-N50 PolarHBondContact O-N 2.88Å; D48-N50 VanDerWaalsContact C-N 3.32Å; D48-N50 PolarHBondContact O-N 3.27Å; N50-I52 VanDerWaalsContact C-N 3.35Å; N50-N53 PolarHBondContact O-N 3.49Å; N50-K54 VanDerWaalsContact O-CB 3.28Å; N50-K54 WeakPolarHBondContact O-CB 3.34Å; N50-K54 PolarHBondContact O-N 3.47Å
51K87.8Confident87.3Confident148 Ų148102.2 Ų102.264%0.64350%0.496SS*.Hα-helixtrans-64.3-41.9175.4-172.7179.4178.7-176.20110.9I47 D48 K54 S55I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 2.87Å; D48-K51 PolarHBondContact O-N 3.03Å; K51-K54 PolarHBondContact O-N 2.84Å; K51-S55 PolarHBondContact O-N 3.25Å; K51-S55 PolarHBondContact O-OG 3.49Å
52I86.4Confident86.2Confident93 Ų93104.9 Ų104.948%0.47751%0.508SS..Hα-helixtrans-65.4-46.7174.7-66.3163.6000110.6D48 T49 N50 K54 S55 I56D48-I52 WeakPolarHBondContact O-CB 3.26Å; D48-I52 WeakPolarHBondContact O-CD1 3.5Å; D48-I52 VanDerWaalsContact O-CG1 3.23Å; D48-I52 WeakPolarHBondContact O-CG1 3.46Å; D48-I52 PolarHBondContact O-N 2.73Å; T49-I52 PolarHBondContact O-N 3.34Å; N50-I52 VanDerWaalsContact C-N 3.35Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 3.5Å; I52-S55 PolarHBondContact O-N 2.94Å; I52-S55 PolarHBondContact O-OG 3.36Å; I52-I56 HydrophobicContact CG2-CD1 3.68Å; I52-I56 HydrophobicContact CG2-CG1 4.36Å; I52-I56 VanDerWaalsContact O-CG1 3.27Å; I52-I56 WeakPolarHBondContact O-CG1 3.5Å; I52-I56 PolarHBondContact O-N 3.08Å
53N83.8Confident85.2Confident86 Ų86108.3 Ų108.346%0.4652%0.52SS..Hα-helixtrans-61.3-40.1178-72.5-20.8000111.8T49 N50 F57T49-N53 WeakPolarHBondContact O-CB 3.35Å; T49-N53 PolarHBondContact O-N 2.96Å; T49-N53 PolarHBondContact O-ND2 3.34Å; N50-N53 PolarHBondContact O-N 3.49Å; N53-F57 WeakPolarHBondContact O-CB 3.35Å; N53-F57 PolarHBondContact O-N 2.95Å
54K83.2Confident83.7Confident146 Ų146116.5 Ų116.564%0.63556%0.557SS**Hα-helixtrans-65.6-41.9175.3-173.1176.3-179.7179.30111.8N50 K51 I52 F57 I58N50-K54 VanDerWaalsContact O-CB 3.28Å; N50-K54 WeakPolarHBondContact O-CB 3.34Å; N50-K54 PolarHBondContact O-N 3.47Å; K51-K54 PolarHBondContact O-N 2.84Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 3.5Å; K54-F57 PolarHBondContact O-N 3.41Å; K54-I58 HydrophobicContact CG-CD1 4.07Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.27Å; K54-I58 PolarHBondContact O-N 3.47Å
55S81.8Confident83.3Confident53 Ų53117.9 Ų117.937%0.37156%0.561SS.*Hα-helixtrans-66.3-40.8177.868.80000111.8K51 I52 F57 I58 Q59K51-S55 PolarHBondContact O-N 3.25Å; K51-S55 PolarHBondContact O-OG 3.49Å; I52-S55 PolarHBondContact O-N 2.94Å; I52-S55 PolarHBondContact O-OG 3.36Å; S55-F57 PolarHBondContact O-N 2.92Å; S55-I58 PolarHBondContact O-N 3.04Å; S55-Q59 WeakPolarHBondContact O-CG 3.35Å; S55-Q59 PolarHBondContact O-N 3.47Å
56I81.8Confident82.7Confident72 Ų72120.7 Ų120.737%0.36957%0.571SS.*Hα-helixtrans-62.2-42.4174.1-65.9166.9000110.9I52 Q59 K60I52-I56 HydrophobicContact CG2-CD1 3.68Å; I52-I56 HydrophobicContact CG2-CG1 4.36Å; I52-I56 VanDerWaalsContact O-CG1 3.27Å; I52-I56 WeakPolarHBondContact O-CG1 3.5Å; I52-I56 PolarHBondContact O-N 3.08Å; I56-Q59 PolarHBondContact O-N 3.16Å; I56-K60 HydrophobicContact CG2-CD 4.37Å; I56-K60 WeakPolarHBondContact O-CG 3.38Å; I56-K60 PolarHBondContact O-N 3.24Å
57F80.7Confident82.1Confident141 Ų141119.1 Ų119.162%0.61857%0.569SS**Hα-helixtrans-63.6-44.8178.2-177.6-98.7000112.4N53 K54 S55 Q59 K60 K61N53-F57 WeakPolarHBondContact O-CB 3.35Å; N53-F57 PolarHBondContact O-N 2.95Å; K54-F57 PolarHBondContact O-N 3.41Å; S55-F57 PolarHBondContact O-N 2.92Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 2.93Å; F57-K60 PolarHBondContact O-N 3.33Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.08Å
58I78.5Confident81.5Confident82 Ų82120.7 Ų120.742%0.42158%0.575SS.*Hα-helixtrans-62-42.9176.8-66.5166000110.6K54 S55 K60 K61 H62K54-I58 HydrophobicContact CG-CD1 4.07Å; K54-I58 VanDerWaalsContact O-CG1 3.31Å; K54-I58 WeakPolarHBondContact O-CG1 3.27Å; K54-I58 PolarHBondContact O-N 3.47Å; S55-I58 PolarHBondContact O-N 3.04Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.3Å; I58-K61 PolarHBondContact O-N 3.38Å; I58-H62 PolarHBondContact O-CD2 2.92Å; I58-H62 PolarHBondContact O-N 3.4Å
59Q81.2Confident81Confident134 Ų134122.6 Ų122.663%0.62658%0.581SS**Hα-helixtrans-62.9-37177-74.2-177.913.600113.2S55 I56 F57S55-Q59 WeakPolarHBondContact O-CG 3.35Å; S55-Q59 PolarHBondContact O-N 3.47Å; I56-Q59 PolarHBondContact O-N 3.16Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 2.93Å
60K81.5Confident80.3Confident143 Ų143126.4 Ų126.462%0.62259%0.593SS**Hα-helixtrans-67.5-38.7176-74.4-179.5179.2-177.10111.9I56 F57 I58 H62 K63I56-K60 HydrophobicContact CG2-CD 4.37Å; I56-K60 WeakPolarHBondContact O-CG 3.38Å; I56-K60 PolarHBondContact O-N 3.24Å; F57-K60 PolarHBondContact O-N 3.33Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.3Å; K60-H62 VanDerWaalsContact C-N 3.31Å; K60-H62 PolarHBondContact O-N 3.37Å; K60-K63 PolarHBondContact O-N 3.32Å
61K78.4Confident79.8Confident151 Ų151130.9 Ų130.966%0.65761%0.611SS**Hα-helixtrans-65.4-30.9179.5-168.2177.9178.3-177.60113.1F57 I58 K63F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.08Å; I58-K61 PolarHBondContact O-N 3.38Å; K61-K63 VanDerWaalsContact C-N 3.33Å
62H74.4Confident79.2Confident161 Ų161129.5 Ų129.575%0.74561%0.608SS**THydrogen-bonded Turntrans-78.2-11.8177.9-84.6-79.1000114.7I58 K60I58-H62 PolarHBondContact O-CD2 2.92Å; I58-H62 PolarHBondContact O-N 3.4Å; K60-H62 VanDerWaalsContact C-N 3.31Å; K60-H62 PolarHBondContact O-N 3.37Å
63K73.7Confident78.6Confident192 Ų192132.6 Ų132.684%0.83562%0.619SS**THydrogen-bonded Turntrans-95.3-3.4179.5-75.2-172.2176-176.10114K60 K61K60-K63 PolarHBondContact O-N 3.32Å; K61-K63 VanDerWaalsContact C-N 3.33Å
64Q64.1Low78.1Confident230 Ų230136.8 Ų136.8100%1.07563%0.634SS**  trans-1030172.6-70.3-175.6-35.300109.4

Retrieved 64 of 64 residues in 305.5 ms (Link to these results)