A0A096LNV7_HUMAN Loading...

Aquaporin 7

AlphaFold DB , UniProt , Accession A0A096LNV7, Species HUMAN (Homo sapiens, Human), Gene AQP7, Length 50 aa.

>A0A096LNV7_HUMAN|A0A096LNV7|AQP7
MVQASGHRRSTRGSKMVSWSVIAKIQEILQRKMVREFLAEFMSTYVMMRE
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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
1M35.6Very low57.1Low242 Ų242153.3 Ų153.3100%1.19283%0.832SS**  0101.20-85.3170.2141.800108.4
2V49.2Very low57.7Low146 Ų146159.7 Ų159.789%0.88584%0.835SS**  trans-88.2111.7174.7169.50000107A4V2-A4 PolarHBondContact O-N 2.84Å
3Q49.2Very low58.1Low191 Ų191151.9 Ų151.989%0.89382%0.818SS**  trans-74.7111.2172.3-75.5-172.630.200108.4S5Q3-S5 PolarHBondContact O-N 2.91Å; Q3-S5 VanDerWaalsContact O-N 3.14Å
4A55Low58.7Low95 Ų95149.3 Ų149.379%0.78582%0.817SS**  trans-60.4112.7169.300000108.6V2 G6V2-A4 PolarHBondContact O-N 2.84Å; A4-G6 VanDerWaalsContact C-N 3.31Å; A4-G6 PolarHBondContact O-N 2.88Å
5S58.8Low59.5Low119 Ų119152.5 Ų152.583%0.83282%0.82SS**  trans-62.792.4174.553.10000109.2Q3 H7Q3-S5 PolarHBondContact O-N 2.91Å; Q3-S5 VanDerWaalsContact O-N 3.14Å; S5-H7 PolarHBondContact O-N 3.46Å
6G58.3Low60.5Low67 Ų67154.3 Ų154.369%0.69182%0.824SS**  trans-56.4122.4178.300000111A4 R8A4-G6 VanDerWaalsContact C-N 3.31Å; A4-G6 PolarHBondContact O-N 2.88Å; G6-R8 VanDerWaalsContact C-N 3.35Å; G6-R8 PolarHBondContact O-N 3.36Å
7H61.2Low61.5Low147 Ų147150 Ų15068%0.68181%0.805SS**  trans-53.487.4174-173.180.9000111.4S5 R9S5-H7 PolarHBondContact O-N 3.46Å; H7-R9 VanDerWaalsContact C-N 3.29Å; H7-R9 PolarHBondContact NE2-NE 3.46Å; H7-R9 PolarHBondContact O-N 3.45Å
8R62.3Low62.8Low246 Ų246144.9 Ų144.993%0.92878%0.783SS**  trans-76.387.6165.8-96-172.3170.9-166.9-1.4108G6 S10G6-R8 VanDerWaalsContact C-N 3.35Å; G6-R8 PolarHBondContact O-N 3.36Å; R8-S10 PolarHBondContact O-N 2.95Å
9R66.3Low64.1Low200 Ų200147.9 Ų147.976%0.75578%0.782SS**  trans-57101.4167.5-163.2174.1-78.8152.8-12.7107.1H7 T11H7-R9 VanDerWaalsContact C-N 3.29Å; H7-R9 PolarHBondContact NE2-NE 3.46Å; H7-R9 PolarHBondContact O-N 3.45Å; R9-T11 PolarHBondContact O-N 2.96Å
10S66.6Low65.4Low100 Ų100144.2 Ų144.270%0.69977%0.768SS**  trans-61.9107.3176.9178.70000107.6R8 R12R8-S10 PolarHBondContact O-N 2.95Å; S10-R12 PolarHBondContact O-N 3.26Å
11T66.1Low66.5Low133 Ų133140.4 Ų140.482%0.81675%0.75SS**  trans-69.170.2161.3510000106.8R9 G13R9-T11 PolarHBondContact O-N 2.96Å; T11-G13 WeakPolarHBondContact O-CA 3.17Å; T11-G13 PolarHBondContact O-N 2.89Å
12R64.2Low69.1Low230 Ų230131.7 Ų131.787%0.86871%0.708SS**  trans-54.7107.6175.8-176.9177.9174.5-175.7-1.8106S10 S14S10-R12 PolarHBondContact O-N 3.26Å; R12-S14 PolarHBondContact O-N 3.43Å
13G62.8Low71.1Confident59 Ų59126.8 Ų126.861%0.60868%0.683SS**  trans-48.7121.1-15400000113.4T11 K15T11-G13 WeakPolarHBondContact O-CA 3.17Å; T11-G13 PolarHBondContact O-N 2.89Å; G13-K15 PolarHBondContact O-N 3.44Å
14S66Low73.2Confident115 Ų115124.4 Ų124.480%0.80467%0.67SS**  trans-57.4110.2156.9-176.80000106R12 M16R12-S14 PolarHBondContact O-N 3.43Å; S14-M16 VanDerWaalsContact C-N 3.26Å; S14-M16 PolarHBondContact O-N 2.91Å
15K70.6Confident74.9Confident198 Ų198124.1 Ų124.186%0.86165%0.654SS**  trans-65.894.5175.7-74.8-176.6176.8-179.40106.7G13 V17G13-K15 PolarHBondContact O-N 3.44Å; K15-V17 PolarHBondContact O-N 2.89Å
16M75.6Confident76.4Confident180 Ų180123.5 Ų123.589%0.88764%0.638SS**PPolyproline II helixtrans-60.8121.2174.4-124.916981.800107.4S14 S18S14-M16 VanDerWaalsContact C-N 3.26Å; S14-M16 PolarHBondContact O-N 2.91Å; M16-S18 PolarHBondContact O-N 3.42Å
17V78.1Confident78Confident82 Ų82124.5 Ų124.550%0.49763%0.625SS.*PPolyproline II helixtrans-57.2133.2175.3174.30000107.8K15 V21 I22K15-V17 PolarHBondContact O-N 2.89Å; V17-V21 HydrophobicContact CG1-CB 3.54Å; V17-V21 HydrophobicContact CG1-CG1 3.42Å; V17-V21 VanDerWaalsContact CG1-CG1 3.42Å; V17-I22 HydrophobicContact CB-CG1 4.45Å; V17-I22 HydrophobicContact CG1-CG1 3.97Å
18S85.1Confident79.5Confident58 Ų58122.1 Ų122.141%0.40662%0.616SS.*PPolyproline II helixtrans-62.5146.9-179.265.10000110.5M16 S20 V21 I22M16-S18 PolarHBondContact O-N 3.42Å; S18-S20 PolarHBondContact O-N 2.65Å; S18-S20 VanDerWaalsContact O-N 3.13Å; S18-S20 PolarHBondContact OG-OG 2.89Å; S18-V21 PolarHBondContact O-N 3.47Å; S18-V21 WeakPolarHBondContact OG-CG2 3.27Å; S18-I22 PolarHBondContact O-N 3.38Å; S18-I22 VanDerWaalsContact O-N 3.17Å
19W87.8Confident80.6Confident203 Ų203115 Ų11577%0.76960%0.596SS**Hα-helixtrans-52.1-37.3176.2-175.1-105.1000112.8V21 I22 A23W19-V21 VanDerWaalsContact C-N 3.32Å; W19-V21 PolarHBondContact O-N 3.16Å; W19-I22 PolarHBondContact O-N 2.87Å; W19-A23 PolarHBondContact O-N 3.41Å
20S89.4Confident81.7Confident73 Ų73111.4 Ų111.451%0.5159%0.587SS.*Hα-helixtrans-60.6-36.3175.854.20000113.8S18 K24S18-S20 PolarHBondContact O-N 2.65Å; S18-S20 VanDerWaalsContact O-N 3.13Å; S18-S20 PolarHBondContact OG-OG 2.89Å; S20-K24 WeakPolarHBondContact O-CG 3.33Å; S20-K24 PolarHBondContact O-N 2.67Å
21V89.1Confident82.7Confident64 Ų64114.1 Ų114.139%0.38858%0.582SS.*Hα-helixtrans-75.3-38.1177.5171.20000110.2V17 S18 W19 K24 I25V17-V21 HydrophobicContact CG1-CB 3.54Å; V17-V21 HydrophobicContact CG1-CG1 3.42Å; V17-V21 VanDerWaalsContact CG1-CG1 3.42Å; S18-V21 PolarHBondContact O-N 3.47Å; S18-V21 WeakPolarHBondContact OG-CG2 3.27Å; W19-V21 VanDerWaalsContact C-N 3.32Å; W19-V21 PolarHBondContact O-N 3.16Å; V21-K24 PolarHBondContact O-N 3.33Å; V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.48Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.3Å; V21-I25 PolarHBondContact O-N 3.47Å
22I89.5Confident83.6Confident60 Ų60113.8 Ų113.831%0.30857%0.569SS.*Hα-helixtrans-60.5-46.5174.8-63.3171.3000110.6V17 S18 W19 K24 I25 Q26V17-I22 HydrophobicContact CB-CG1 4.45Å; V17-I22 HydrophobicContact CG1-CG1 3.97Å; S18-I22 PolarHBondContact O-N 3.38Å; S18-I22 VanDerWaalsContact O-N 3.17Å; W19-I22 PolarHBondContact O-N 2.87Å; I22-K24 VanDerWaalsContact C-N 3.35Å; I22-K24 PolarHBondContact O-N 3.43Å; I22-I25 PolarHBondContact O-N 3.46Å; I22-Q26 WeakPolarHBondContact O-CG 3.31Å; I22-Q26 PolarHBondContact O-N 3.09Å
23A91.3Very high84.7Confident43 Ų43108.4 Ų108.436%0.35556%0.556SS.*Hα-helixtrans-59.9-42.8177.700000112.3W19 I25 Q26 E27W19-A23 PolarHBondContact O-N 3.41Å; A23-I25 PolarHBondContact O-N 2.96Å; A23-Q26 PolarHBondContact O-N 3.03Å; A23-E27 PolarHBondContact O-N 3.19Å
24K93.5Very high85.7Confident141 Ų141110.1 Ų110.161%0.61355%0.554SS**Hα-helixtrans-63-41.6175.6-76.1-179.1178.6-175.70112.6S20 V21 I22 E27 I28S20-K24 WeakPolarHBondContact O-CG 3.33Å; S20-K24 PolarHBondContact O-N 2.67Å; V21-K24 PolarHBondContact O-N 3.33Å; I22-K24 VanDerWaalsContact C-N 3.35Å; I22-K24 PolarHBondContact O-N 3.43Å; K24-E27 PolarHBondContact O-N 3.37Å; K24-I28 VanDerWaalsContact O-CG1 3.29Å; K24-I28 WeakPolarHBondContact O-CG1 3.18Å; K24-I28 PolarHBondContact O-N 2.98Å; K24-I28 VanDerWaalsContact O-N 3.08Å
25I90.8Very high86.6Confident88 Ų88114 Ų11445%0.45155%0.551SS.*Hα-helixtrans-62.7-45.5177-69.2165.7000109.9V21 I22 A23 E27 I28 L29V21-I25 HydrophobicContact CG1-CD1 3.87Å; V21-I25 HydrophobicContact CG1-CG1 4.48Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.3Å; V21-I25 PolarHBondContact O-N 3.47Å; I22-I25 PolarHBondContact O-N 3.46Å; A23-I25 PolarHBondContact O-N 2.96Å; I25-E27 PolarHBondContact O-N 2.9Å; I25-I28 PolarHBondContact O-N 3.43Å; I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.37Å
26Q89.4Confident87.4Confident106 Ų106110.7 Ų110.750%0.49554%0.539SS..Hα-helixtrans-60.9-44.2177.3-73.9177.6-36.400112.2I22 A23 I28 L29 Q30I22-Q26 WeakPolarHBondContact O-CG 3.31Å; I22-Q26 PolarHBondContact O-N 3.09Å; A23-Q26 PolarHBondContact O-N 3.03Å; Q26-I28 PolarHBondContact O-N 2.94Å; Q26-L29 PolarHBondContact O-N 2.87Å; Q26-Q30 WeakPolarHBondContact O-CB 3.43Å; Q26-Q30 WeakPolarHBondContact O-CG 3.23Å; Q26-Q30 PolarHBondContact O-N 3.44Å
27E93.2Very high87.7Confident89 Ų89108.7 Ų108.742%0.41653%0.525SS..Hα-helixtrans-61.1-44.4177.9-172.3-173.617200112A23 K24 I25 Q30 R31A23-E27 PolarHBondContact O-N 3.19Å; K24-E27 PolarHBondContact O-N 3.37Å; I25-E27 PolarHBondContact O-N 2.9Å; E27-Q30 PolarHBondContact O-N 3.43Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.08Å; E27-R31 IonicContact OE1-CZ 3.26Å; E27-R31 VanDerWaalsContact OE1-CZ 3.26Å; E27-R31 IonicContact OE1-NE 3.33Å; E27-R31 PolarHBondContact OE1-NE 2.84Å; E27-R31 IonicContact OE1-NH2 2.67Å; E27-R31 PolarHBondContact OE1-NH2 3.25Å
28I91.5Very high88Confident97 Ų97109.3 Ų109.350%0.49753%0.525SS..Hα-helixtrans-63.7-44.4178-68.3166.3000110.7K24 I25 Q26 R31 K32K24-I28 VanDerWaalsContact O-CG1 3.29Å; K24-I28 WeakPolarHBondContact O-CG1 3.18Å; K24-I28 PolarHBondContact O-N 2.98Å; K24-I28 VanDerWaalsContact O-N 3.08Å; I25-I28 PolarHBondContact O-N 3.43Å; Q26-I28 PolarHBondContact O-N 2.94Å; I28-R31 PolarHBondContact O-N 3.41Å; I28-K32 PolarHBondContact O-N 3.3Å; I28-K32 VanDerWaalsContact O-N 3.08Å
29L85.8Confident88Confident96 Ų96109.2 Ų109.250%0.50353%0.528SS..Hα-helixtrans-63.8-44.8178.5-71.7173.2000111.3I25 Q26 R31 K32 M33I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.28Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.37Å; Q26-L29 PolarHBondContact O-N 2.87Å; L29-R31 PolarHBondContact O-N 3.32Å; L29-K32 PolarHBondContact O-N 3.33Å; L29-M33 WeakPolarHBondContact O-CG 3.32Å; L29-M33 PolarHBondContact O-N 3.45Å
30Q88.8Confident87.9Confident125 Ų125106.1 Ų106.158%0.58452%0.522SS*.Hα-helixtrans-60.8-44.7176.3-76.4-172.6-31.300111.9Q26 E27 K32 M33 V34Q26-Q30 WeakPolarHBondContact O-CB 3.43Å; Q26-Q30 WeakPolarHBondContact O-CG 3.23Å; Q26-Q30 PolarHBondContact O-N 3.44Å; E27-Q30 PolarHBondContact O-N 3.43Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.95Å; Q30-M33 PolarHBondContact O-N 3.48Å; Q30-V34 VanDerWaalsContact O-CG2 3.27Å; Q30-V34 WeakPolarHBondContact O-CG2 3.35Å; Q30-V34 PolarHBondContact O-N 2.98Å
31R88.4Confident87.4Confident157 Ų157108 Ų10859%0.59252%0.521SS*.Hα-helixtrans-61.6-37.3177-74178.2-175.9-1533.2112.7E27 I28 L29 R35E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.08Å; E27-R31 IonicContact OE1-CZ 3.26Å; E27-R31 VanDerWaalsContact OE1-CZ 3.26Å; E27-R31 IonicContact OE1-NE 3.33Å; E27-R31 PolarHBondContact OE1-NE 2.84Å; E27-R31 IonicContact OE1-NH2 2.67Å; E27-R31 PolarHBondContact OE1-NH2 3.25Å; I28-R31 PolarHBondContact O-N 3.41Å; L29-R31 PolarHBondContact O-N 3.32Å; R31-R35 WeakPolarHBondContact O-CG 3.42Å; R31-R35 PolarHBondContact O-N 3.46Å
32K85.4Confident87.1Confident125 Ų125109.5 Ų109.554%0.54353%0.525SS..Hα-helixtrans-66.7-48.5175-77.6-175.5172.6-172.20111.5I28 L29 Q30 V34 R35 E36I28-K32 PolarHBondContact O-N 3.3Å; I28-K32 VanDerWaalsContact O-N 3.08Å; L29-K32 PolarHBondContact O-N 3.33Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.95Å; K32-V34 VanDerWaalsContact C-N 3.31Å; K32-V34 PolarHBondContact O-N 3.08Å; K32-R35 WeakPolarHBondContact O-CB 3.36Å; K32-R35 PolarHBondContact O-N 3.36Å; K32-R35 VanDerWaalsContact O-N 3.09Å; K32-E36 PolarHBondContact O-N 3.5Å
33M86.9Confident86.5Confident118 Ų118110 Ų11058%0.58153%0.534SS*.Hα-helixtrans-61.2-39.2178.2-68.5-164.1-54.400112.3L29 Q30 R35 E36 F37L29-M33 WeakPolarHBondContact O-CG 3.32Å; L29-M33 PolarHBondContact O-N 3.45Å; Q30-M33 PolarHBondContact O-N 3.48Å; M33-R35 VanDerWaalsContact C-N 3.32Å; M33-R35 PolarHBondContact O-N 2.95Å; M33-E36 PolarHBondContact O-N 2.85Å; M33-F37 WeakPolarHBondContact O-CB 3.25Å; M33-F37 PolarHBondContact O-N 3.31Å
34V84.1Confident85.6Confident94 Ų94111.5 Ų111.557%0.5754%0.539SS*.Hα-helixtrans-64-38.6175.7170.60000111.5Q30 K32 L38Q30-V34 VanDerWaalsContact O-CG2 3.27Å; Q30-V34 WeakPolarHBondContact O-CG2 3.35Å; Q30-V34 PolarHBondContact O-N 2.98Å; K32-V34 VanDerWaalsContact C-N 3.31Å; K32-V34 PolarHBondContact O-N 3.08Å; V34-L38 VanDerWaalsContact O-CB 3.23Å; V34-L38 WeakPolarHBondContact O-CB 3.4Å; V34-L38 PolarHBondContact O-N 3.13Å
35R84.4Confident84.1Confident196 Ų196110.5 Ų110.574%0.7453%0.532SS*.Hα-helixtrans-68.2-44.4177-76.5177.2174.3-166.1-2.5112.1R31 K32 M33 L38 A39R31-R35 WeakPolarHBondContact O-CG 3.42Å; R31-R35 PolarHBondContact O-N 3.46Å; K32-R35 WeakPolarHBondContact O-CB 3.36Å; K32-R35 PolarHBondContact O-N 3.36Å; K32-R35 VanDerWaalsContact O-N 3.09Å; M33-R35 VanDerWaalsContact C-N 3.32Å; M33-R35 PolarHBondContact O-N 2.95Å; R35-L38 PolarHBondContact O-N 2.93Å; R35-A39 VanDerWaalsContact O-CB 3.29Å; R35-A39 WeakPolarHBondContact O-CB 3.48Å; R35-A39 PolarHBondContact O-N 3.17Å
36E87.1Confident82.7Confident129 Ų129110.9 Ų110.960%0.60354%0.538SS*.Hα-helixtrans-64.1-45.9176.8-72.6169-170.600110.8K32 M33 L38 A39 E40K32-E36 PolarHBondContact O-N 3.5Å; M33-E36 PolarHBondContact O-N 2.85Å; E36-L38 PolarHBondContact O-N 3.24Å; E36-A39 PolarHBondContact O-N 3.38Å; E36-E40 WeakPolarHBondContact O-CB 3.27Å; E36-E40 PolarHBondContact O-N 3.24Å
37F81.7Confident81.4Confident138 Ų138113.8 Ų113.861%0.60555%0.554SS**Hα-helixtrans-58.2-46.4174.3176.3-98.9000112.3M33 E40 F41M33-F37 WeakPolarHBondContact O-CB 3.25Å; M33-F37 PolarHBondContact O-N 3.31Å; F37-E40 PolarHBondContact O-N 3.2Å; F37-F41 VanDerWaalsContact O-CB 3.25Å; F37-F41 WeakPolarHBondContact O-CB 3.14Å; F37-F41 PolarHBondContact O-N 2.83Å
38L84.6Confident79.8Confident96 Ų96117.1 Ų117.150%0.50357%0.572SS.*Hα-helixtrans-66.9-39.1178.6-175.963.4000111.7V34 R35 E36 M42V34-L38 VanDerWaalsContact O-CB 3.23Å; V34-L38 WeakPolarHBondContact O-CB 3.4Å; V34-L38 PolarHBondContact O-N 3.13Å; R35-L38 PolarHBondContact O-N 2.93Å; E36-L38 PolarHBondContact O-N 3.24Å; L38-M42 HydrophobicContact CD1-CG 4.23Å; L38-M42 HydrophobicContact CG-CG 4.38Å; L38-M42 VanDerWaalsContact O-CB 3.28Å; L38-M42 WeakPolarHBondContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CG 3.46Å; L38-M42 PolarHBondContact O-N 3.2Å
39A86.4Confident78.1Confident55 Ų55121 Ų12146%0.45558%0.58SS.*Hα-helixtrans-64.1-44.2176.200000111.5R35 E36 S43R35-A39 VanDerWaalsContact O-CB 3.29Å; R35-A39 WeakPolarHBondContact O-CB 3.48Å; R35-A39 PolarHBondContact O-N 3.17Å; E36-A39 PolarHBondContact O-N 3.38Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 2.92Å; A39-S43 PolarHBondContact O-OG 2.94Å
40E84.1Confident76.5Confident138 Ų138128.9 Ų128.965%0.64561%0.614SS**Hα-helixtrans-64.4-47.1176.3-174.2165.4-149.900111E36 F37 M42 S43 T44E36-E40 WeakPolarHBondContact O-CB 3.27Å; E36-E40 PolarHBondContact O-N 3.24Å; F37-E40 PolarHBondContact O-N 3.2Å; E40-M42 PolarHBondContact O-N 3.02Å; E40-S43 WeakPolarHBondContact O-CB 3.35Å; E40-S43 PolarHBondContact O-N 2.89Å; E40-S43 VanDerWaalsContact O-N 3.16Å; E40-T44 PolarHBondContact O-N 2.99Å; E40-T44 PolarHBondContact O-OG1 3.36Å
41F80.2Confident75.9Confident113 Ų113129.1 Ų129.150%0.49662%0.615SS.*Hα-helixtrans-58-47.9176.3-176.1-96.9000112.3F37 S43 T44 Y45F37-F41 VanDerWaalsContact O-CB 3.25Å; F37-F41 WeakPolarHBondContact O-CB 3.14Å; F37-F41 PolarHBondContact O-N 2.83Å; F41-S43 VanDerWaalsContact C-N 3.32Å; F41-S43 PolarHBondContact O-N 2.8Å; F41-T44 PolarHBondContact O-N 2.83Å; F41-Y45 HydrophobicContact CZ-CD2 4.46Å; F41-Y45 VanDerWaalsContact O-CB 3.31Å; F41-Y45 WeakPolarHBondContact O-CB 3.29Å; F41-Y45 PolarHBondContact O-N 2.89Å
42M82.3Confident75.2Confident95 Ų95127.6 Ų127.647%0.46862%0.617SS.*Hα-helixtrans-64.5-36.8177.1-73.3-63.6-59.500111.9L38 E40 Y45 V46L38-M42 HydrophobicContact CD1-CG 4.23Å; L38-M42 HydrophobicContact CG-CG 4.38Å; L38-M42 VanDerWaalsContact O-CB 3.28Å; L38-M42 WeakPolarHBondContact O-CB 3.29Å; L38-M42 WeakPolarHBondContact O-CG 3.46Å; L38-M42 PolarHBondContact O-N 3.2Å; E40-M42 PolarHBondContact O-N 3.02Å; M42-Y45 PolarHBondContact O-N 3.23Å; M42-V46 HydrophobicContact CE-CG2 4.49Å; M42-V46 VanDerWaalsContact O-CB 3.27Å; M42-V46 WeakPolarHBondContact O-CB 3.44Å; M42-V46 WeakPolarHBondContact O-CG2 3.27Å; M42-V46 PolarHBondContact O-N 3.01Å
43S77.4Confident74.6Confident72 Ų72127.7 Ų127.750%0.50362%0.621SS.*Hα-helixtrans-64-42.9178.3-59.20000111.4A39 E40 F41 M47A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 2.92Å; A39-S43 PolarHBondContact O-OG 2.94Å; E40-S43 WeakPolarHBondContact O-CB 3.35Å; E40-S43 PolarHBondContact O-N 2.89Å; E40-S43 VanDerWaalsContact O-N 3.16Å; F41-S43 VanDerWaalsContact C-N 3.32Å; F41-S43 PolarHBondContact O-N 2.8Å; S43-M47 WeakPolarHBondContact O-CB 3.4Å; S43-M47 WeakPolarHBondContact O-CG 3.43Å; S43-M47 PolarHBondContact O-N 3.27Å
44T70.6Confident73.9Confident74 Ų74128.3 Ų128.345%0.45462%0.623SS.*Hα-helixtrans-69.3-41.1175.9-38.20000111.6E40 F41 V46 M47 M48E40-T44 PolarHBondContact O-N 2.99Å; E40-T44 PolarHBondContact O-OG1 3.36Å; F41-T44 PolarHBondContact O-N 2.83Å; T44-V46 VanDerWaalsContact C-N 3.31Å; T44-V46 PolarHBondContact O-N 2.83Å; T44-M47 PolarHBondContact O-N 3.28Å; T44-M48 HydrophobicContact CG2-CG 4.4Å; T44-M48 VanDerWaalsContact O-CB 3.3Å; T44-M48 WeakPolarHBondContact O-CB 3.33Å; T44-M48 WeakPolarHBondContact O-CG 3.43Å; T44-M48 PolarHBondContact O-N 3Å
45Y63.8Low73.3Confident119 Ų119130.4 Ų130.447%0.46763%0.626SS.*Hα-helixtrans-67.8-32179.4-158.8-93.4000112.4F41 M42 R49F41-Y45 HydrophobicContact CZ-CD2 4.46Å; F41-Y45 VanDerWaalsContact O-CB 3.31Å; F41-Y45 WeakPolarHBondContact O-CB 3.29Å; F41-Y45 PolarHBondContact O-N 2.89Å; M42-Y45 PolarHBondContact O-N 3.23Å; Y45-R49 VanDerWaalsContact CE1-NH2 3.31Å; Y45-R49 PolarHBondContact OH-NH2 3.14Å
46V61Low72.5Confident97 Ų97126.1 Ų126.159%0.58862%0.619SS**Hα-helixtrans-78.6-42.8174.1171.50000111.4M42 T44 M48 R49M42-V46 HydrophobicContact CE-CG2 4.49Å; M42-V46 VanDerWaalsContact O-CB 3.27Å; M42-V46 WeakPolarHBondContact O-CB 3.44Å; M42-V46 WeakPolarHBondContact O-CG2 3.27Å; M42-V46 PolarHBondContact O-N 3.01Å; T44-V46 VanDerWaalsContact C-N 3.31Å; T44-V46 PolarHBondContact O-N 2.83Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.43Å; V46-R49 PolarHBondContact O-N 2.83Å
47M60.7Low71.5Confident167 Ų167125.9 Ų125.982%0.82362%0.62SS**Hα-helixtrans-68.9-27.8178.1-77.7-150.79600114S43 T44S43-M47 WeakPolarHBondContact O-CB 3.4Å; S43-M47 WeakPolarHBondContact O-CG 3.43Å; S43-M47 PolarHBondContact O-N 3.27Å; T44-M47 PolarHBondContact O-N 3.28Å
48M60.7Low70.7Confident159 Ų159124.9 Ų124.978%0.78362%0.621SS**THydrogen-bonded Turntrans-85-5177.6-72.9-117-175.800114T44 V46T44-M48 HydrophobicContact CG2-CG 4.4Å; T44-M48 VanDerWaalsContact O-CB 3.3Å; T44-M48 WeakPolarHBondContact O-CB 3.33Å; T44-M48 WeakPolarHBondContact O-CG 3.43Å; T44-M48 PolarHBondContact O-N 3Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.43Å
49R54.9Low69.5Low179 Ų179127.3 Ų127.368%0.67563%0.631SS**  trans-98.581.4170.8-73.1-155.3-165.1-160.36.1109.8Y45 V46Y45-R49 VanDerWaalsContact CE1-NH2 3.31Å; Y45-R49 PolarHBondContact OH-NH2 3.14Å; V46-R49 PolarHBondContact O-N 2.83Å
50E52.4Low68Low260 Ų260133.9 Ų133.9100%1.21565%0.647SS**  trans-1280158.2-133.6170.6-16300109

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