A0A087X666_POEFO Loading...

Serum amyloid A protein

Major acute phase reactant. Apolipoprotein of the HDL complex.

AlphaFold DB , UniProt , Accession A0A087X666, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 121 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
1M61.5Low67Low216 Ų216117.5 Ų117.5100%1.06462%0.619SS**  0-530-125.1163.775.200113.4M3 L4 L5M1-M3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.08Å
2K50.8Low66.7Low188 Ų188120.4 Ų120.482%0.81762%0.624SS**Hα-helixtrans-59-40.8-177.9-64.9178.2177.9179.80115L4 L5 A6K2-L4 VanDerWaalsContact C-N 3.34Å; K2-L5 PolarHBondContact O-N 3.09Å; K2-A6 WeakPolarHBondContact O-CB 3.48Å; K2-A6 PolarHBondContact O-N 3.17Å
3M61.3Low66.3Low168 Ų168117.8 Ų117.883%0.82861%0.61SS**Hα-helixtrans-70.3-30177.7-58.4-60.7-76.700113.3M1 G7M1-M3 PolarHBondContact O-N 3Å; M3-G7 PolarHBondContact O-N 3.25Å
4L67.4Low65.9Low128 Ų128114 Ų11467%0.6760%0.604SS**Hα-helixtrans-75-39.1178.7-146.5125.7000110.4M1 K2 G7 I8M1-L4 PolarHBondContact O-N 3.12Å; K2-L4 VanDerWaalsContact C-N 3.34Å; L4-G7 PolarHBondContact O-N 3.04Å; L4-I8 HydrophobicContact CD2-CD1 4.21Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.8Å
5L66.9Low65.4Low119 Ų119109.2 Ų109.262%0.62359%0.593SS**Hα-helixtrans-64.5-43.1172.6-155.383.3000111.5M1 K2 G7 I8 V9M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.08Å; K2-L5 PolarHBondContact O-N 3.09Å; L5-G7 VanDerWaalsContact C-N 3.34Å; L5-G7 PolarHBondContact O-N 3.14Å; L5-I8 PolarHBondContact O-N 2.94Å; L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.2Å
6A71.3Confident65.1Low48 Ų48106.3 Ų106.340%0.39758%0.583SS.*Hα-helixtrans-62.5-39.6175.400000112.3K2 V9 L10K2-A6 WeakPolarHBondContact O-CB 3.48Å; K2-A6 PolarHBondContact O-N 3.17Å; A6-V9 PolarHBondContact O-N 3.34Å; A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 WeakPolarHBondContact O-CG 3.15Å; A6-L10 PolarHBondContact O-N 2.87Å
7G73.5Confident64.5Low29 Ų29105.7 Ų105.730%0.29958%0.575SS.*Hα-helixtrans-62.9-43.6174.300000113.1M3 L4 L5 L10 I11M3-G7 PolarHBondContact O-N 3.25Å; L4-G7 PolarHBondContact O-N 3.04Å; L5-G7 VanDerWaalsContact C-N 3.34Å; L5-G7 PolarHBondContact O-N 3.14Å; G7-L10 PolarHBondContact O-N 2.89Å; G7-I11 WeakPolarHBondContact O-CD1 3.49Å; G7-I11 VanDerWaalsContact O-CG1 3.27Å; G7-I11 WeakPolarHBondContact O-CG1 3.44Å; G7-I11 PolarHBondContact O-N 2.56Å
8I75.4Confident64.3Low80 Ų80102.6 Ų102.641%0.4157%0.566SS.*Hα-helixtrans-63.2-45.3176.6-69167000111L4 L5 L10 I11 F12L4-I8 HydrophobicContact CD2-CD1 4.21Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.8Å; L5-I8 PolarHBondContact O-N 2.94Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.07Å; I8-I11 PolarHBondContact O-N 2.96Å; I8-F12 HydrophobicContact CG2-CD2 3.71Å; I8-F12 HydrophobicContact CG2-CE2 3.6Å; I8-F12 VanDerWaalsContact O-CD2 3.25Å; I8-F12 WeakPolarHBondContact O-CD2 3.31Å; I8-F12 PolarHBondContact O-N 3.35Å
9V73.8Confident64.1Low76 Ų76102.9 Ų102.946%0.46156%0.563SS.*Hα-helixtrans-61.6-41.7178170.70000111.5L5 A6 F12 I13L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.2Å; A6-V9 PolarHBondContact O-N 3.34Å; V9-F12 PolarHBondContact O-N 3.02Å; V9-I13 HydrophobicContact CG1-CD1 3.86Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 3.18Å
10L65.5Low64.1Low116 Ų116107.8 Ų107.861%0.60757%0.572SS**Hα-helixtrans-66.2-37.1176.9-76166.4000112.9A6 G7 I8 I13 A14A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 WeakPolarHBondContact O-CG 3.15Å; A6-L10 PolarHBondContact O-N 2.87Å; G7-L10 PolarHBondContact O-N 2.89Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 2.76Å; L10-A14 WeakPolarHBondContact O-CB 3.28Å; L10-A14 PolarHBondContact O-N 2.68Å
11I69.3Low64.7Low124 Ų124111.2 Ų111.264%0.63658%0.579SS**Hα-helixtrans-64.7-41174.4-69.3164.2000110.8G7 I8 G15G7-I11 WeakPolarHBondContact O-CD1 3.49Å; G7-I11 VanDerWaalsContact O-CG1 3.27Å; G7-I11 WeakPolarHBondContact O-CG1 3.44Å; G7-I11 PolarHBondContact O-N 2.56Å; I8-I11 PolarHBondContact O-N 2.96Å; I11-G15 PolarHBondContact O-N 2.85Å
12F63.4Low66Low153 Ų153105.4 Ų105.467%0.67155%0.552SS**Hα-helixtrans-64.6-43175.8-85.9-67.8000112.5I8 V9 G15 S16I8-F12 HydrophobicContact CG2-CD2 3.71Å; I8-F12 HydrophobicContact CG2-CE2 3.6Å; I8-F12 VanDerWaalsContact O-CD2 3.25Å; I8-F12 WeakPolarHBondContact O-CD2 3.31Å; I8-F12 PolarHBondContact O-N 3.35Å; V9-F12 PolarHBondContact O-N 3.02Å; F12-G15 PolarHBondContact O-N 3.26Å; F12-S16 PolarHBondContact O-N 3.03Å; F12-S16 PolarHBondContact O-OG 3.02Å
13I61.3Low68Low87 Ų8799.7 Ų99.745%0.44653%0.527SS..Hα-helixtrans-64.4-48.9177-65.9166.3000110.3V9 L10 G15 S16 E17V9-I13 HydrophobicContact CG1-CD1 3.86Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 3.18Å; L10-I13 PolarHBondContact O-N 2.76Å; I13-G15 VanDerWaalsContact C-N 3.3Å; I13-G15 PolarHBondContact O-N 2.65Å; I13-S16 WeakPolarHBondContact CA-OG 3.43Å; I13-S16 PolarHBondContact O-N 3.27Å; I13-S16 PolarHBondContact O-OG 2.91Å; I13-E17 VanDerWaalsContact O-CG 3.32Å; I13-E17 WeakPolarHBondContact O-CG 3.4Å; I13-E17 PolarHBondContact O-N 2.82Å; I13-E17 VanDerWaalsContact O-N 3.07Å
14A60.9Low69.5Low64 Ų6495.7 Ų95.753%0.52951%0.514SS..Hα-helixtrans-62.6-36.7178.100000112.7L10 E17 A18L10-A14 WeakPolarHBondContact O-CB 3.28Å; L10-A14 PolarHBondContact O-N 2.68Å; A14-E17 PolarHBondContact O-N 3.09Å; A14-A18 PolarHBondContact O-N 3.15Å; A14-A18 VanDerWaalsContact O-N 3.16Å
15G59.3Low70.9Confident42 Ų4291.1 Ų91.143%0.43350%0.498SS..Hα-helixtrans-66.9-37.7174.700000113.3I11 F12 I13I11-G15 PolarHBondContact O-N 2.85Å; F12-G15 PolarHBondContact O-N 3.26Å; I13-G15 VanDerWaalsContact C-N 3.3Å; I13-G15 PolarHBondContact O-N 2.65Å
16S60.3Low72.3Confident62 Ų6286.5 Ų86.543%0.43447%0.473SS..Hα-helixtrans-68.7-36.3175.254.90000112.8F12 I13F12-S16 PolarHBondContact O-N 3.03Å; F12-S16 PolarHBondContact O-OG 3.02Å; I13-S16 WeakPolarHBondContact CA-OG 3.43Å; I13-S16 PolarHBondContact O-N 3.27Å; I13-S16 PolarHBondContact O-OG 2.91Å
17E55.2Low73.6Confident97 Ų9784.8 Ų84.845%0.45346%0.459SS..Hα-helixtrans-68.8-36.2176.9-63.4-64.915000112I13 A14 H19 W20 Y21I13-E17 VanDerWaalsContact O-CG 3.32Å; I13-E17 WeakPolarHBondContact O-CG 3.4Å; I13-E17 PolarHBondContact O-N 2.82Å; I13-E17 VanDerWaalsContact O-N 3.07Å; A14-E17 PolarHBondContact O-N 3.09Å; E17-H19 PolarHBondContact O-N 3.11Å; E17-W20 PolarHBondContact O-N 3.44Å; E17-W20 VanDerWaalsContact O-N 3.17Å; E17-Y21 HydrophobicContact CB-CE2 4.44Å; E17-Y21 WeakPolarHBondContact O-CD2 3.25Å
18A59.9Low74.7Confident50 Ų5086.6 Ų86.641%0.41347%0.471SS..Hα-helixtrans-61.3-30.8179.300000113.4A14 N22A14-A18 PolarHBondContact O-N 3.15Å; A14-A18 VanDerWaalsContact O-N 3.16Å; A18-N22 PolarHBondContact O-ND2 3.23Å
19H60.4Low75.8Confident108 Ų10887.5 Ų87.550%0.547%0.474SS..Hα-helixtrans-68.8-32.9177.8-122.1-74.3000112.9E17 F23E17-H19 PolarHBondContact O-N 3.11Å; H19-F23 PolarHBondContact O-N 3.11Å
20W65.4Low77Confident200 Ų20083.9 Ų83.976%0.75845%0.452SS*.Hα-helixtrans-72.5-33.9179.5-77.292.6000112.9E17 N22 P24E17-W20 PolarHBondContact O-N 3.44Å; E17-W20 VanDerWaalsContact O-N 3.17Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-P24 WeakPolarHBondContact O-CD 3.35Å
21Y74.9Confident78.6Confident181 Ų18180 Ų8071%0.7144%0.436SS*.Hα-helixtrans-70.7-30.2178-68.6-69.5000113.1E17E17-Y21 HydrophobicContact CB-CE2 4.44Å; E17-Y21 WeakPolarHBondContact O-CD2 3.25Å
22N88.8Confident80Confident93 Ų9375.9 Ų75.950%0.49743%0.425SS..Hα-helixtrans-78.3-31.8178.7-66.2-29.4000112A18 W20 G25 E26A18-N22 PolarHBondContact O-ND2 3.23Å; W20-N22 VanDerWaalsContact C-N 3.34Å; N22-G25 CarbonylContact O-C 3.6Å; N22-G25 WeakPolarHBondContact O-CA 3.48Å; N22-G25 PolarHBondContact O-N 3.39Å; N22-E26 HydrophobicContact CB-CG 4.29Å; N22-E26 WeakPolarHBondContact CB-OE1 3.44Å; N22-E26 WeakPolarHBondContact O-CG 3.07Å; N22-E26 PolarHBondContact O-N 2.67Å
23F92.9Very high81.7Confident68 Ų6869.4 Ų69.430%0.29840%0.397SS..Hα-helixtrans-48-48.2-173.2-175.5-81.2000114.8H19 G25 E26 A27 P66 G67 W70H19-F23 PolarHBondContact O-N 3.11Å; F23-G25 VanDerWaalsContact C-N 3.31Å; F23-G25 PolarHBondContact O-N 3.02Å; F23-E26 PolarHBondContact O-N 2.82Å; F23-A27 WeakPolarHBondContact O-CB 2.98Å; F23-A27 PolarHBondContact O-N 2.88Å; F23-P66 HydrophobicContact CD2-CB 4.34Å; F23-G67 VanDerWaalsContact CE2-CA 3.43Å; F23-W70 HydrophobicContact CE1-CD2 4.38Å; F23-W70 HydrophobicContact CE1-CE3 4.19Å; F23-W70 HydrophobicContact CE2-CB 4.22Å; F23-W70 HydrophobicContact CZ-CB 3.87Å; F23-W70 AromaticContact CZ-CD2 3.93Å; F23-W70 HydrophobicContact CZ-CD2 3.93Å; F23-W70 HydrophobicContact CZ-CE3 4.1Å; F23-W70 AromaticContact CZ-CG 3.81Å; F23-W70 HydrophobicContact CZ-CG 3.81Å
24P93.6Very high83.5Confident84 Ų8466.4 Ų66.455%0.54538%0.382SS..Hα-helixtrans-63.6-35.9177.4-21.934.4000113.2W20 A28W20-P24 WeakPolarHBondContact O-CD 3.35Å; P24-A28 WeakPolarHBondContact O-CB 3.34Å; P24-A28 PolarHBondContact O-N 3.42Å
25G95.9Very high85.2Confident33 Ų3370.8 Ų70.834%0.3438%0.384SS..Hα-helixtrans-68.8-41.5176.300000112.1N22 F23 A28 Q29N22-G25 CarbonylContact O-C 3.6Å; N22-G25 WeakPolarHBondContact O-CA 3.48Å; N22-G25 PolarHBondContact O-N 3.39Å; F23-G25 VanDerWaalsContact C-N 3.31Å; F23-G25 PolarHBondContact O-N 3.02Å; G25-A28 PolarHBondContact O-N 2.95Å; G25-Q29 WeakPolarHBondContact O-CB 3.34Å; G25-Q29 VanDerWaalsContact O-CG 3.26Å; G25-Q29 WeakPolarHBondContact O-CG 3.32Å; G25-Q29 PolarHBondContact O-N 2.68Å
26E97.8Very high87.1Confident22 Ų2271.3 Ų71.310%0.10338%0.382CS..Hα-helixtrans-62.3-44.1174.4-59.9172.3177.600111.1N22 F23 Q29 G30 R64 P66 G67N22-E26 HydrophobicContact CB-CG 4.29Å; N22-E26 WeakPolarHBondContact CB-OE1 3.44Å; N22-E26 WeakPolarHBondContact O-CG 3.07Å; N22-E26 PolarHBondContact O-N 2.67Å; F23-E26 PolarHBondContact O-N 2.82Å; E26-Q29 PolarHBondContact O-N 3.14Å; E26-G30 PolarHBondContact O-N 3.32Å; E26-R64 HydrophobicContact CB-CB 4.27Å; E26-R64 WeakPolarHBondContact CG-O 3.4Å; E26-P66 VanDerWaalsContact OE2-CD 3.24Å; E26-P66 WeakPolarHBondContact OE2-CD 3.28Å; E26-P66 VanDerWaalsContact OE2-N 3.15Å; E26-G67 PolarHBondContact OE2-N 2.74Å
27A97.3Very high88.9Confident11 Ų1168.6 Ų68.69%0.09136%0.363CS..Hα-helixtrans-65.4-41.3176.800000112.2F23 G30 A31 G67 W70 V71F23-A27 WeakPolarHBondContact O-CB 2.98Å; F23-A27 PolarHBondContact O-N 2.88Å; A27-G30 PolarHBondContact O-N 3.46Å; A27-A31 WeakPolarHBondContact O-CB 3.31Å; A27-A31 PolarHBondContact O-N 2.82Å; A27-G67 WeakPolarHBondContact CA-O 3.26Å; A27-W70 HydrophobicContact CB-CE3 4.13Å; A27-W70 HydrophobicContact CB-CZ3 4.21Å; A27-V71 HydrophobicContact CB-CB 4.2Å; A27-V71 WeakPolarHBondContact O-CG1 3.35Å
28A97.8Very high91Very high68 Ų6868.8 Ų68.856%0.56236%0.36SS*.Hα-helixtrans-64.2-42.3175.700000112P24 G25 G32P24-A28 WeakPolarHBondContact O-CB 3.34Å; P24-A28 PolarHBondContact O-N 3.42Å; G25-A28 PolarHBondContact O-N 2.95Å; A28-G32 PolarHBondContact O-N 2.79Å; A28-G32 VanDerWaalsContact O-N 3.16Å
29Q98.6Very high92.8Very high98 Ų9870.3 Ų70.346%0.45836%0.359SS..Hα-helixtrans-65.2-46.3175.4-71.5173.643.700111.5G25 E26 A31 G32 D33 R64G25-Q29 WeakPolarHBondContact O-CB 3.34Å; G25-Q29 VanDerWaalsContact O-CG 3.26Å; G25-Q29 WeakPolarHBondContact O-CG 3.32Å; G25-Q29 PolarHBondContact O-N 2.68Å; E26-Q29 PolarHBondContact O-N 3.14Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.97Å; Q29-G32 CarbonylContact O-C 3.41Å; Q29-G32 WeakPolarHBondContact O-CA 3.49Å; Q29-G32 PolarHBondContact O-N 3.33Å; Q29-D33 PolarHBondContact O-N 3.48Å; Q29-R64 HydrophobicContact CB-CG 3.92Å
30G98.7Very high94.6Very high0 Ų066.6 Ų66.60%034%0.342CS..Hα-helixtrans-63.3-36.4178.700000112.9E26 A27 G32 D33 M34E26-G30 PolarHBondContact O-N 3.32Å; A27-G30 PolarHBondContact O-N 3.46Å; G30-G32 VanDerWaalsContact C-N 3.3Å; G30-G32 PolarHBondContact O-N 3.33Å; G30-D33 PolarHBondContact O-N 2.83Å; G30-M34 VanDerWaalsContact O-CG 3.3Å; G30-M34 WeakPolarHBondContact O-CG 3.15Å; G30-M34 PolarHBondContact O-N 3.5Å
31A98.6Very high96.1Very high34 Ų3458.9 Ų58.928%0.28132%0.315SS..Hα-helixtrans-62.9-38.1171.100000112A27 Q29 M34 W35 V71 I75A27-A31 WeakPolarHBondContact O-CB 3.31Å; A27-A31 PolarHBondContact O-N 2.82Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 2.97Å; A31-M34 PolarHBondContact O-N 2.99Å; A31-W35 WeakPolarHBondContact O-CB 3.48Å; A31-W35 PolarHBondContact O-N 3.25Å; A31-V71 HydrophobicContact CB-CG2 4.06Å; A31-I75 HydrophobicContact CB-CD1 4.13Å
32G98.7Very high97.2Very high39 Ų3956.3 Ų56.340%0.40231%0.308SS..Hα-helixtrans-61.5-43172.700000112.8A28 Q29 G30 W35 S36A28-G32 PolarHBondContact O-N 2.79Å; A28-G32 VanDerWaalsContact O-N 3.16Å; Q29-G32 CarbonylContact O-C 3.41Å; Q29-G32 WeakPolarHBondContact O-CA 3.49Å; Q29-G32 PolarHBondContact O-N 3.33Å; G30-G32 VanDerWaalsContact C-N 3.3Å; G30-G32 PolarHBondContact O-N 3.33Å; G32-W35 PolarHBondContact O-N 3.33Å; G32-S36 WeakPolarHBondContact O-CB 3.31Å; G32-S36 PolarHBondContact O-N 2.81Å
33D98.9Very high97.7Very high17 Ų1757.4 Ų57.49%0.09131%0.31CS..Hα-helixtrans-64.2-45.6176.5-61-36.2000111.5Q29 G30 W35 S36 A37 E60 A61 R64Q29-D33 PolarHBondContact O-N 3.48Å; G30-D33 PolarHBondContact O-N 2.83Å; D33-W35 VanDerWaalsContact C-N 3.31Å; D33-W35 PolarHBondContact O-N 3.43Å; D33-S36 WeakPolarHBondContact O-CB 3.32Å; D33-S36 PolarHBondContact O-N 2.95Å; D33-A37 PolarHBondContact O-N 2.99Å; D33-E60 HydrophobicContact CB-CB 3.82Å; D33-A61 HydrophobicContact CB-CB 4.32Å; D33-R64 IonicContact OD1-CZ 2.91Å; D33-R64 IonicContact OD1-NE 3.97Å; D33-R64 IonicContact OD1-NH2 4Å; D33-R64 PolarHBondContact OD1-NH2 3.35Å; D33-R64 WeakPolarHBondContact OD2-CG 3.19Å; D33-R64 IonicContact OD2-CZ 3.61Å; D33-R64 IonicContact OD2-NE 2.82Å; D33-R64 PolarHBondContact OD2-NE 3.16Å; D33-R64 IonicContact OD2-NH2 2.73Å; D33-R64 PolarHBondContact OD2-NH2 3.43Å
34M98.7Very high97.9Very high23 Ų2355 Ų5511%0.11330%0.301CS..Hα-helixtrans-59.3-42.2175.4-68.5-66.5-75.700111.8G30 A31 A37 Y38 A61 A72 I75G30-M34 VanDerWaalsContact O-CG 3.3Å; G30-M34 WeakPolarHBondContact O-CG 3.15Å; G30-M34 PolarHBondContact O-N 3.5Å; A31-M34 PolarHBondContact O-N 2.99Å; M34-A37 PolarHBondContact O-N 3.11Å; M34-Y38 PolarHBondContact O-N 3.43Å; M34-A61 HydrophobicContact CG-CB 4.16Å; M34-A61 HydrophobicContact SD-CB 4.42Å; M34-A72 HydrophobicContact CG-CB 4.46Å; M34-A72 HydrophobicContact SD-CB 4.09Å; M34-I75 HydrophobicContact CB-CD1 4.05Å; M34-I75 HydrophobicContact CB-CG2 4.35Å; M34-I75 HydrophobicContact CE-CB 4.05Å; M34-I75 HydrophobicContact CE-CG2 3.75Å; M34-I75 HydrophobicContact CG-CD1 4.2Å
35W98.5Very high98Very high156 Ų15657.9 Ų57.959%0.59131%0.313SS*.Hα-helixtrans-65-42.8175.1177.3-103.9000112.3A31 G32 D33 A37 Y38 Q39A31-W35 WeakPolarHBondContact O-CB 3.48Å; A31-W35 PolarHBondContact O-N 3.25Å; G32-W35 PolarHBondContact O-N 3.33Å; D33-W35 VanDerWaalsContact C-N 3.31Å; D33-W35 PolarHBondContact O-N 3.43Å; W35-A37 PolarHBondContact O-N 2.88Å; W35-Y38 HydrophobicContact CE3-CD1 4.12Å; W35-Y38 HydrophobicContact CH2-CD1 4.45Å; W35-Y38 HydrophobicContact CH2-CE1 4.41Å; W35-Y38 AromaticContact CZ3-CD1 3.95Å; W35-Y38 HydrophobicContact CZ3-CD1 3.95Å; W35-Y38 HydrophobicContact CZ3-CE1 4.14Å; W35-Y38 WeakPolarHBondContact O-CB 3.33Å; W35-Y38 PolarHBondContact O-N 3.11Å; W35-Q39 HydrophobicContact CD2-CG 4.24Å; W35-Q39 HydrophobicContact CG-CG 4.48Å; W35-Q39 HydrophobicContact CZ2-CG 4.05Å; W35-Q39 WeakPolarHBondContact O-CG 3.47Å; W35-Q39 PolarHBondContact O-N 3.06Å
36S98.7Very high98.1Very high54 Ų5461.1 Ų61.138%0.37832%0.315SS..Hα-helixtrans-60.8-44176.9-161.70000111.6G32 D33 Y38 Q39 D40G32-S36 WeakPolarHBondContact O-CB 3.31Å; G32-S36 PolarHBondContact O-N 2.81Å; D33-S36 WeakPolarHBondContact O-CB 3.32Å; D33-S36 PolarHBondContact O-N 2.95Å; S36-Y38 PolarHBondContact O-N 3.48Å; S36-Q39 PolarHBondContact O-N 3.18Å; S36-D40 PolarHBondContact O-N 3.2Å
37A98.5Very high97.9Very high4 Ų468.2 Ų68.23%0.03335%0.345CS..Hα-helixtrans-61.8-40.617500000113.1D33 M34 W35 M41 R56D33-A37 PolarHBondContact O-N 2.99Å; M34-A37 PolarHBondContact O-N 3.11Å; W35-A37 PolarHBondContact O-N 2.88Å; A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.28Å; A37-R56 VanDerWaalsContact CA-NH2 3.34Å
38Y97.4Very high97.7Very high102 Ų10273.2 Ų73.240%0.437%0.37SS..Hα-helixtrans-62-45.3172.7171.5-101.8000112M34 W35 S36 M41 K42M34-Y38 PolarHBondContact O-N 3.43Å; W35-Y38 HydrophobicContact CE3-CD1 4.12Å; W35-Y38 HydrophobicContact CH2-CD1 4.45Å; W35-Y38 HydrophobicContact CH2-CE1 4.41Å; W35-Y38 AromaticContact CZ3-CD1 3.95Å; W35-Y38 HydrophobicContact CZ3-CD1 3.95Å; W35-Y38 HydrophobicContact CZ3-CE1 4.14Å; W35-Y38 WeakPolarHBondContact O-CB 3.33Å; W35-Y38 PolarHBondContact O-N 3.11Å; S36-Y38 PolarHBondContact O-N 3.48Å; Y38-M41 HydrophobicContact CD2-CE 3.67Å; Y38-M41 HydrophobicContact CE2-CE 3.92Å; Y38-M41 WeakPolarHBondContact O-CB 3.47Å; Y38-M41 PolarHBondContact O-N 2.89Å; Y38-K42 HydrophobicContact CD1-CG 4.46Å; Y38-K42 HydrophobicContact CD2-CG 4.39Å; Y38-K42 HydrophobicContact CE1-CG 4.01Å; Y38-K42 HydrophobicContact CE2-CD 4.06Å; Y38-K42 HydrophobicContact CE2-CG 3.92Å; Y38-K42 VanDerWaalsContact O-CG 3.31Å; Y38-K42 WeakPolarHBondContact O-CG 3.28Å; Y38-K42 PolarHBondContact O-N 3.36Å
39Q98.4Very high97.6Very high81 Ų8170 Ų7038%0.37934%0.344SS..Hα-helixtrans-65.3-41.7-180-68.1-71.660.400112.2W35 S36 M41 K42 E43W35-Q39 HydrophobicContact CD2-CG 4.24Å; W35-Q39 HydrophobicContact CG-CG 4.48Å; W35-Q39 HydrophobicContact CZ2-CG 4.05Å; W35-Q39 WeakPolarHBondContact O-CG 3.47Å; W35-Q39 PolarHBondContact O-N 3.06Å; S36-Q39 PolarHBondContact O-N 3.18Å; Q39-M41 VanDerWaalsContact C-N 3.35Å; Q39-M41 PolarHBondContact O-N 3.17Å; Q39-K42 CarbonylContact O-C 3.44Å; Q39-K42 WeakPolarHBondContact O-CB 3.28Å; Q39-K42 PolarHBondContact O-N 3.09Å; Q39-K42 VanDerWaalsContact O-N 3.16Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 PolarHBondContact O-N 3.46Å
40D98.6Very high97.4Very high30 Ų3067.9 Ų67.916%0.1634%0.336CS..Hα-helixtrans-66.1-36.3175.5-76.8-4.2000112.4S36 K42 E43 S44 F53 R56 Y121S36-D40 PolarHBondContact O-N 3.2Å; D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 3.25Å; D40-E43 PolarHBondContact O-N 3.34Å; D40-S44 WeakPolarHBondContact O-CB 3.28Å; D40-S44 PolarHBondContact O-N 3.01Å; D40-S44 PolarHBondContact O-OG 3.17Å; D40-F53 HydrophobicContact CB-CD1 4.02Å; D40-F53 HydrophobicContact CB-CE1 3.5Å; D40-F53 HydrophobicContact CB-CZ 4.24Å; D40-R56 IonicContact OD2-CZ 3.74Å; D40-R56 IonicContact OD2-NH1 2.67Å; D40-R56 PolarHBondContact OD2-NH1 3.05Å; D40-R56 IonicContact OD2-NH2 3.2Å; D40-R56 PolarHBondContact OD2-NH2 2.99Å; D40-Y121 HydrophobicContact CB-CD1 3.74Å; D40-Y121 HydrophobicContact CB-CE1 4.05Å
41M97.8Very high97.4Very high39 Ų3969.4 Ų69.419%0.19234%0.343CS..Hα-helixtrans-59.2-44.7171.2-176.5-170.866.700111A37 Y38 Q39 S44 N45 D50 F53A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.28Å; Y38-M41 HydrophobicContact CD2-CE 3.67Å; Y38-M41 HydrophobicContact CE2-CE 3.92Å; Y38-M41 WeakPolarHBondContact O-CB 3.47Å; Y38-M41 PolarHBondContact O-N 2.89Å; Q39-M41 VanDerWaalsContact C-N 3.35Å; Q39-M41 PolarHBondContact O-N 3.17Å; M41-S44 PolarHBondContact O-OG 3.17Å; M41-S44 VanDerWaalsContact O-OG 3.14Å; M41-N45 PolarHBondContact O-N 2.9Å; M41-D50 HydrophobicContact SD-CB 4.4Å; M41-F53 VanDerWaalsContact CA-CD2 3.48Å; M41-F53 HydrophobicContact CB-CB 3.81Å; M41-F53 HydrophobicContact CB-CD1 4.29Å; M41-F53 HydrophobicContact CB-CD2 3.48Å; M41-F53 VanDerWaalsContact CB-CD2 3.48Å; M41-F53 HydrophobicContact CB-CE2 4.11Å; M41-F53 HydrophobicContact CB-CG 3.59Å; M41-F53 HydrophobicContact CG-CB 4.24Å; M41-F53 HydrophobicContact CG-CD2 3.69Å; M41-F53 HydrophobicContact CG-CE2 4.41Å; M41-F53 HydrophobicContact CG-CG 4.18Å
42K97.4Very high97.4Very high126 Ų12668.4 Ų68.455%0.54833%0.331SS..Hα-helixtrans-68.2-42.2178.3-67.8-63.9-61.2-177.70112.2Y38 Q39 D40Y38-K42 HydrophobicContact CD1-CG 4.46Å; Y38-K42 HydrophobicContact CD2-CG 4.39Å; Y38-K42 HydrophobicContact CE1-CG 4.01Å; Y38-K42 HydrophobicContact CE2-CD 4.06Å; Y38-K42 HydrophobicContact CE2-CG 3.92Å; Y38-K42 VanDerWaalsContact O-CG 3.31Å; Y38-K42 WeakPolarHBondContact O-CG 3.28Å; Y38-K42 PolarHBondContact O-N 3.36Å; Q39-K42 CarbonylContact O-C 3.44Å; Q39-K42 WeakPolarHBondContact O-CB 3.28Å; Q39-K42 PolarHBondContact O-N 3.09Å; Q39-K42 VanDerWaalsContact O-N 3.16Å; D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 3.25Å
43E98.1Very high97.4Very high116 Ų11666.8 Ų66.854%0.54231%0.313SS..Hα-helixtrans-69.3-45.2-179.4-168.9-163.7129.200111.7Q39 D40 N45 K120 Y121Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 PolarHBondContact O-N 3.46Å; D40-E43 PolarHBondContact O-N 3.34Å; E43-N45 PolarHBondContact O-N 3.26Å; E43-K120 IonicContact OE1-NZ 2.65Å; E43-K120 PolarHBondContact OE1-NZ 2.92Å; E43-Y121 PolarHBondContact OE1-OH 3.03Å
44S97.3Very high97.4Very high17 Ų1766.8 Ų66.812%0.11931%0.313CS..Hα-helixtrans-64-32.2-178.765.70000112.4D40 M41 W46 F53 Y121D40-S44 WeakPolarHBondContact O-CB 3.28Å; D40-S44 PolarHBondContact O-N 3.01Å; D40-S44 PolarHBondContact O-OG 3.17Å; M41-S44 PolarHBondContact O-OG 3.17Å; M41-S44 VanDerWaalsContact O-OG 3.14Å; S44-W46 PolarHBondContact O-N 2.93Å; S44-F53 VanDerWaalsContact OG-CE2 3.32Å; S44-F53 WeakPolarHBondContact OG-CE2 3.43Å; S44-F53 WeakPolarHBondContact OG-CZ 3.24Å; S44-Y121 VanDerWaalsContact CB-CE2 3.42Å
45N96.8Very high97.4Very high146 Ų14665.7 Ų65.778%0.78131%0.307SS*.  trans45.936.2-176.2-168.836.7000112.1M41 E43M41-N45 PolarHBondContact O-N 2.9Å; E43-N45 PolarHBondContact O-N 3.26Å
46W96.9Very high97.4Very high101 Ų10159 Ų5938%0.38328%0.282SS..  trans-89.6131.3-169.4-159.4-91.4000111.5S44 N48 G49 P114 G116 L117S44-W46 PolarHBondContact O-N 2.93Å; W46-N48 PolarHBondContact O-N 2.91Å; W46-G49 PolarHBondContact O-N 3.23Å; W46-P114 HydrophobicContact CG-CG 4.44Å; W46-G116 WeakPolarHBondContact CH2-O 3.36Å; W46-G116 VanDerWaalsContact CZ2-O 3.25Å; W46-G116 WeakPolarHBondContact CZ2-O 3.3Å; W46-L117 HydrophobicContact CB-CD1 3.59Å; W46-L117 HydrophobicContact CD2-CD1 4.04Å; W46-L117 HydrophobicContact CG-CD1 3.6Å
47K94.3Very high97.4Very high171 Ų17156.4 Ų56.474%0.74326%0.264SS*.THydrogen-bonded Turntrans-62.7129.4177.9-172.7176.3-178.8179.90110.3G49K47-G49 PolarHBondContact O-N 2.62Å
48N92.8Very high97.4Very high115 Ų11556.2 Ų56.262%0.61526%0.263SS*.THydrogen-bonded Turntrans61.624.4-178.8-48.1-21.7000114.2W46W46-N48 PolarHBondContact O-N 2.91Å
49G95.1Very high97.5Very high2 Ų255.1 Ų55.12%0.02126%0.259CS..  trans-88.4-10.8175.200000114.4W46 K47 K51 Y52 F53W46-G49 PolarHBondContact O-N 3.23Å; K47-G49 PolarHBondContact O-N 2.62Å; G49-K51 PolarHBondContact O-N 3.32Å; G49-Y52 VanDerWaalsContact O-CB 3.32Å; G49-Y52 WeakPolarHBondContact O-CB 3.44Å; G49-Y52 PolarHBondContact O-N 2.91Å; G49-Y52 VanDerWaalsContact O-N 3.11Å; G49-F53 WeakPolarHBondContact O-CD2 3.36Å; G49-F53 PolarHBondContact O-N 3.45Å; G49-F53 VanDerWaalsContact O-N 3.15Å
50D95.4Very high97.5Very high52 Ų5254.2 Ų54.228%0.27825%0.254SS..Hα-helixtrans-52.7-53.2-176.757.6-38.8000112.5M41 Y52 F53 H54M41-D50 HydrophobicContact SD-CB 4.4Å; D50-Y52 PolarHBondContact O-N 3.23Å; D50-F53 PolarHBondContact O-N 3.2Å; D50-F53 VanDerWaalsContact O-N 3.09Å; D50-H54 PolarHBondContact O-CD2 3.06Å; D50-H54 PolarHBondContact O-N 2.97Å
51K98.1Very high97.5Very high33 Ų3352.8 Ų52.814%0.14325%0.247CC..Hα-helixtrans-63.4-29.4-179.3-84.347.8171.2178.40112.8G49 A55 D96 A99 Y112G49-K51 PolarHBondContact O-N 3.32Å; K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.11Å; K51-D96 WeakPolarHBondContact CD-OD1 3.39Å; K51-D96 WeakPolarHBondContact CE-OD1 3.35Å; K51-D96 IonicContact NZ-OD1 3.33Å; K51-D96 PolarHBondContact NZ-OD1 3.04Å; K51-A99 HydrophobicContact CB-CB 4.03Å; K51-A99 HydrophobicContact CG-CB 3.97Å; K51-Y112 HydrophobicContact CB-CD1 3.74Å; K51-Y112 HydrophobicContact CB-CE1 4.43Å; K51-Y112 HydrophobicContact CB-CG 4Å; K51-Y112 HydrophobicContact CG-CD1 4.38Å
52Y98.5Very high97.5Very high12 Ų1251.7 Ų51.75%0.04724%0.243CC..Hα-helixtrans-64.6-49.7172.5169.8-101.6000111.3G49 D50 H54 A55 R56 P109 R113 L117 Y121G49-Y52 VanDerWaalsContact O-CB 3.32Å; G49-Y52 WeakPolarHBondContact O-CB 3.44Å; G49-Y52 PolarHBondContact O-N 2.91Å; G49-Y52 VanDerWaalsContact O-N 3.11Å; D50-Y52 PolarHBondContact O-N 3.23Å; Y52-H54 VanDerWaalsContact C-N 3.32Å; Y52-H54 PolarHBondContact O-N 3.47Å; Y52-A55 PolarHBondContact O-N 2.95Å; Y52-R56 WeakPolarHBondContact O-CB 3.19Å; Y52-R56 PolarHBondContact O-N 3.42Å; Y52-R56 WeakPolarHBondContact OH-CD 3.17Å; Y52-P109 HydrophobicContact CD2-CB 4.28Å; Y52-P109 WeakPolarHBondContact CD2-O 3.38Å; Y52-P109 HydrophobicContact CE2-CB 4.05Å; Y52-R113 HydrophobicContact CD2-CB 3.8Å; Y52-R113 HydrophobicContact CD2-CG 4.29Å; Y52-R113 HydrophobicContact CE2-CB 4.14Å; Y52-R113 HydrophobicContact CE2-CG 4.38Å; Y52-R113 HydrophobicContact CG-CB 4.49Å; Y52-R113 PolarHBondContact OH-NH1 3.22Å; Y52-L117 HydrophobicContact CD1-CD2 3.45Å; Y52-L117 VanDerWaalsContact CD1-CD2 3.45Å; Y52-L117 HydrophobicContact CE1-CD2 3.56Å; Y52-L117 HydrophobicContact CG-CD2 4.14Å; Y52-Y121 VanDerWaalsContact CE1-OXT 3.31Å; Y52-Y121 WeakPolarHBondContact CE1-OXT 3.32Å; Y52-Y121 PolarHBondContact OH-O 3.01Å; Y52-Y121 PolarHBondContact OH-OXT 2.86Å
53F98.6Very high97.6Very high6 Ų651.2 Ų51.23%0.02624%0.243CC..Hα-helixtrans-68.6-31.5-179.4-67.6-69.9000112.6D40 M41 S44 G49 D50 G57 L117 Y121D40-F53 HydrophobicContact CB-CD1 4.02Å; D40-F53 HydrophobicContact CB-CE1 3.5Å; D40-F53 HydrophobicContact CB-CZ 4.24Å; M41-F53 VanDerWaalsContact CA-CD2 3.48Å; M41-F53 HydrophobicContact CB-CB 3.81Å; M41-F53 HydrophobicContact CB-CD1 4.29Å; M41-F53 HydrophobicContact CB-CD2 3.48Å; M41-F53 VanDerWaalsContact CB-CD2 3.48Å; M41-F53 HydrophobicContact CB-CE2 4.11Å; M41-F53 HydrophobicContact CB-CG 3.59Å; M41-F53 HydrophobicContact CG-CB 4.24Å; M41-F53 HydrophobicContact CG-CD2 3.69Å; M41-F53 HydrophobicContact CG-CE2 4.41Å; M41-F53 HydrophobicContact CG-CG 4.18Å; S44-F53 VanDerWaalsContact OG-CE2 3.32Å; S44-F53 WeakPolarHBondContact OG-CE2 3.43Å; S44-F53 WeakPolarHBondContact OG-CZ 3.24Å; G49-F53 WeakPolarHBondContact O-CD2 3.36Å; G49-F53 PolarHBondContact O-N 3.45Å; G49-F53 VanDerWaalsContact O-N 3.15Å; D50-F53 PolarHBondContact O-N 3.2Å; D50-F53 VanDerWaalsContact O-N 3.09Å; F53-G57 PolarHBondContact O-N 2.97Å; F53-L117 HydrophobicContact CE2-CD1 4.42Å; F53-L117 HydrophobicContact CE2-CD2 4.46Å; F53-L117 HydrophobicContact CZ-CD1 4.3Å; F53-L117 HydrophobicContact CZ-CD2 4.19Å; F53-Y121 HydrophobicContact CE1-CD1 4.44Å; F53-Y121 HydrophobicContact CE1-CG 4.42Å; F53-Y121 HydrophobicContact CZ-CD1 4.43Å; F53-Y121 HydrophobicContact CZ-CG 4.16Å
54H98.4Very high97.6Very high17 Ų1750.5 Ų50.58%0.07924%0.236CC..Hα-helixtrans-57-53.8168.4-81-59000112.8D50 Y52 N58 R79 D96 A99 N100D50-H54 PolarHBondContact O-CD2 3.06Å; D50-H54 PolarHBondContact O-N 2.97Å; Y52-H54 VanDerWaalsContact C-N 3.32Å; Y52-H54 PolarHBondContact O-N 3.47Å; H54-N58 WeakPolarHBondContact O-CB 3.4Å; H54-N58 PolarHBondContact O-N 3.17Å; H54-N58 PolarHBondContact O-ND2 2.99Å; H54-R79 PolarHBondContact CE1-NH1 2.97Å; H54-R79 PolarHBondContact CE1-NH2 3.39Å; H54-R79 PolarHBondContact NE2-NH1 2.96Å; H54-R79 PolarHBondContact NE2-NH2 3.5Å; H54-D96 IonicContact CD2-OD1 3.43Å; H54-D96 IonicContact NE2-OD1 3.68Å; H54-D96 IonicContact NE2-OD2 2.71Å; H54-A99 HydrophobicContact CB-CB 3.89Å; H54-N100 WeakPolarHBondContact CB-OD1 3.45Å; H54-N100 PolarHBondContact ND1-OD1 3.16Å
55A98.8Very high97.5Very high0 Ų050.6 Ų50.60%024%0.24CC..Hα-helixtrans-65.3-41.9179.200000111.6K51 Y52 Y59 A99 G103 P109 Y112K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.11Å; Y52-A55 PolarHBondContact O-N 2.95Å; A55-Y59 WeakPolarHBondContact O-CB 3.31Å; A55-Y59 PolarHBondContact O-N 3.48Å; A55-A99 WeakPolarHBondContact CA-O 3.35Å; A55-G103 VanDerWaalsContact O-CA 3.28Å; A55-G103 WeakPolarHBondContact O-CA 3.42Å; A55-P109 HydrophobicContact CB-CB 4.03Å; A55-Y112 HydrophobicContact CB-CD2 3.82Å; A55-Y112 HydrophobicContact CB-CE2 4.3Å
56R98.8Very high97.5Very high14 Ų1446.6 Ų46.65%0.05322%0.222CC..Hα-helixtrans-64.9-49.3-178.2-165-169.174.8175.68.8111.9A37 D40 Y52 N58 Y59 E60 P109 Y121A37-R56 VanDerWaalsContact CA-NH2 3.34Å; D40-R56 IonicContact OD2-CZ 3.74Å; D40-R56 IonicContact OD2-NH1 2.67Å; D40-R56 PolarHBondContact OD2-NH1 3.05Å; D40-R56 IonicContact OD2-NH2 3.2Å; D40-R56 PolarHBondContact OD2-NH2 2.99Å; Y52-R56 WeakPolarHBondContact O-CB 3.19Å; Y52-R56 PolarHBondContact O-N 3.42Å; Y52-R56 WeakPolarHBondContact OH-CD 3.17Å; R56-N58 PolarHBondContact O-N 2.92Å; R56-Y59 PolarHBondContact O-N 2.98Å; R56-E60 HydrophobicContact CG-CG 4.48Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 IonicContact NE-OE1 3.68Å; R56-E60 WeakPolarHBondContact O-CB 3.49Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.92Å; R56-P109 HydrophobicContact CB-CB 4.02Å; R56-P109 HydrophobicContact CB-CG 4.29Å; R56-Y121 WeakPolarHBondContact CD-OXT 3.46Å; R56-Y121 PolarHBondContact NH1-OXT 2.78Å
57G98.8Very high97.5Very high1 Ų141.8 Ų41.81%0.0120%0.203CC..Hα-helixtrans-60.7-44.5178.200000112.3F53 A61F53-G57 PolarHBondContact O-N 2.97Å; G57-A61 VanDerWaalsContact O-CB 3.24Å; G57-A61 WeakPolarHBondContact O-CB 3.38Å; G57-A61 PolarHBondContact O-N 3.39Å
58N98.9Very high97.7Very high0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-66.2-37.5176.5-86.9-91.5000112.6H54 R56 A62 S76 N100 R104H54-N58 WeakPolarHBondContact O-CB 3.4Å; H54-N58 PolarHBondContact O-N 3.17Å; H54-N58 PolarHBondContact O-ND2 2.99Å; R56-N58 PolarHBondContact O-N 2.92Å; N58-A62 WeakPolarHBondContact O-CB 3.47Å; N58-A62 PolarHBondContact O-N 3.07Å; N58-S76 PolarHBondContact ND2-OG 3Å; N58-S76 PolarHBondContact OD1-OG 3.25Å; N58-N100 VanDerWaalsContact CB-O 3.3Å; N58-N100 WeakPolarHBondContact CB-O 3.35Å; N58-N100 PolarHBondContact ND2-OD1 3.18Å; N58-R104 HydrophobicContact CB-CB 4.03Å; N58-R104 PolarHBondContact OD1-NH1 3.44Å
59Y98.9Very high97.9Very high79 Ų7930.7 Ų30.731%0.3115%0.154SC..Hα-helixtrans-63.6-53.1176.2177.3-90.5000111A55 R56 A61 A62 Q63 G103 G107 P109A55-Y59 WeakPolarHBondContact O-CB 3.31Å; A55-Y59 PolarHBondContact O-N 3.48Å; R56-Y59 PolarHBondContact O-N 2.98Å; Y59-A61 PolarHBondContact O-N 2.92Å; Y59-A62 PolarHBondContact O-N 3.24Å; Y59-Q63 HydrophobicContact CD1-CG 4.33Å; Y59-Q63 HydrophobicContact CE1-CG 4.03Å; Y59-Q63 WeakPolarHBondContact O-CG 3.24Å; Y59-Q63 PolarHBondContact O-N 3.16Å; Y59-G103 VanDerWaalsContact CA-O 3.28Å; Y59-G103 WeakPolarHBondContact CA-O 3.36Å; Y59-G107 WeakPolarHBondContact CD2-O 3.14Å; Y59-P109 HydrophobicContact CD1-CG 4.29Å; Y59-P109 HydrophobicContact CD2-CG 4.4Å; Y59-P109 HydrophobicContact CG-CG 3.9Å
60E98.8Very high98.1Very high62 Ų6236.8 Ų36.829%0.2918%0.176SC..Hα-helixtrans-60.2-46.1-179.9-71.2170.2173.300111.4D33 R56 A62 Q63D33-E60 HydrophobicContact CB-CB 3.82Å; R56-E60 HydrophobicContact CG-CG 4.48Å; R56-E60 WeakPolarHBondContact CG-OE1 3.48Å; R56-E60 IonicContact NE-OE1 3.68Å; R56-E60 WeakPolarHBondContact O-CB 3.49Å; R56-E60 WeakPolarHBondContact O-CG 3.49Å; R56-E60 PolarHBondContact O-N 2.92Å; E60-A62 PolarHBondContact O-N 3.48Å; E60-Q63 WeakPolarHBondContact O-CB 3.47Å; E60-Q63 PolarHBondContact O-N 3.01Å
61A98.8Very high98.2Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-61.9-43176.100000112D33 M34 G57 Y59 Q63 R64 G68 A72D33-A61 HydrophobicContact CB-CB 4.32Å; M34-A61 HydrophobicContact CG-CB 4.16Å; M34-A61 HydrophobicContact SD-CB 4.42Å; G57-A61 VanDerWaalsContact O-CB 3.24Å; G57-A61 WeakPolarHBondContact O-CB 3.38Å; G57-A61 PolarHBondContact O-N 3.39Å; Y59-A61 PolarHBondContact O-N 2.92Å; A61-Q63 VanDerWaalsContact C-N 3.26Å; A61-Q63 PolarHBondContact O-N 3.28Å; A61-R64 VanDerWaalsContact O-CB 3.28Å; A61-R64 WeakPolarHBondContact O-CB 3.38Å; A61-R64 WeakPolarHBondContact O-CG 3.06Å; A61-R64 PolarHBondContact O-N 3.46Å; A61-G68 CarbonylContact O-C 3.6Å; A61-G68 WeakPolarHBondContact O-CA 2.87Å; A61-A72 HydrophobicContact CB-CB 3.81Å
62A98.6Very high98.2Very high15 Ų1533.3 Ų33.312%0.12416%0.16CC..Hα-helixtrans-63.4-30.2177.500000113N58 Y59 E60 R64 G65 V69 R104N58-A62 WeakPolarHBondContact O-CB 3.47Å; N58-A62 PolarHBondContact O-N 3.07Å; Y59-A62 PolarHBondContact O-N 3.24Å; E60-A62 PolarHBondContact O-N 3.48Å; A62-R64 PolarHBondContact O-N 2.94Å; A62-G65 PolarHBondContact O-N 2.85Å; A62-V69 HydrophobicContact CB-CG2 3.89Å; A62-R104 HydrophobicContact CB-CG 4.42Å; A62-R104 WeakPolarHBondContact CB-O 3.25Å
63Q98.4Very high98.2Very high117 Ų11736.8 Ų36.855%0.54718%0.177SC..THydrogen-bonded Turntrans-65.4-15.6174.3-62.7-49.9-48.100113.2Y59 E60 A61 G65Y59-Q63 HydrophobicContact CD1-CG 4.33Å; Y59-Q63 HydrophobicContact CE1-CG 4.03Å; Y59-Q63 WeakPolarHBondContact O-CG 3.24Å; Y59-Q63 PolarHBondContact O-N 3.16Å; E60-Q63 WeakPolarHBondContact O-CB 3.47Å; E60-Q63 PolarHBondContact O-N 3.01Å; A61-Q63 VanDerWaalsContact C-N 3.26Å; A61-Q63 PolarHBondContact O-N 3.28Å; Q63-G65 VanDerWaalsContact C-N 3.3Å
64R97.8Very high98.2Very high100 Ų10039.6 Ų39.638%0.37719%0.194SC..THydrogen-bonded Turntrans-73.1-22.5176.9-53.9-57.2-175155.1-5.3112.9E26 Q29 D33 A61 A62E26-R64 HydrophobicContact CB-CB 4.27Å; E26-R64 WeakPolarHBondContact CG-O 3.4Å; Q29-R64 HydrophobicContact CB-CG 3.92Å; D33-R64 IonicContact OD1-CZ 2.91Å; D33-R64 IonicContact OD1-NE 3.97Å; D33-R64 IonicContact OD1-NH2 4Å; D33-R64 PolarHBondContact OD1-NH2 3.35Å; D33-R64 WeakPolarHBondContact OD2-CG 3.19Å; D33-R64 IonicContact OD2-CZ 3.61Å; D33-R64 IonicContact OD2-NE 2.82Å; D33-R64 PolarHBondContact OD2-NE 3.16Å; D33-R64 IonicContact OD2-NH2 2.73Å; D33-R64 PolarHBondContact OD2-NH2 3.43Å; A61-R64 VanDerWaalsContact O-CB 3.28Å; A61-R64 WeakPolarHBondContact O-CB 3.38Å; A61-R64 WeakPolarHBondContact O-CG 3.06Å; A61-R64 PolarHBondContact O-N 3.46Å; A62-R64 PolarHBondContact O-N 2.94Å
65G96.4Very high98.2Very high20 Ų2041.6 Ų41.621%0.20621%0.205CC..  trans118.3-170.3-17600000112.8A62 Q63 G67 G68 V69A62-G65 PolarHBondContact O-N 2.85Å; Q63-G65 VanDerWaalsContact C-N 3.3Å; G65-G67 VanDerWaalsContact C-N 3.29Å; G65-G67 PolarHBondContact O-N 3.1Å; G65-G68 WeakPolarHBondContact O-CA 3.37Å; G65-G68 PolarHBondContact O-N 3.49Å; G65-V69 PolarHBondContact O-N 3.13Å
66P96Very high98.1Very high62 Ų6241.8 Ų41.840%0.40321%0.206SC..Hα-helixtrans-54-37.8-176.2-28.936.6000115.1F23 E26 G68 V69 W70F23-P66 HydrophobicContact CD2-CB 4.34Å; E26-P66 VanDerWaalsContact OE2-CD 3.24Å; E26-P66 WeakPolarHBondContact OE2-CD 3.28Å; E26-P66 VanDerWaalsContact OE2-N 3.15Å; P66-G68 VanDerWaalsContact C-N 3.32Å; P66-V69 PolarHBondContact O-N 3.03Å; P66-W70 WeakPolarHBondContact O-CB 3.19Å; P66-W70 PolarHBondContact O-N 3.42Å
67G96.6Very high97.8Very high0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-66.9-34.3175.900000112.9F23 E26 A27 G65 V71F23-G67 VanDerWaalsContact CE2-CA 3.43Å; E26-G67 PolarHBondContact OE2-N 2.74Å; A27-G67 WeakPolarHBondContact CA-O 3.26Å; G65-G67 VanDerWaalsContact C-N 3.29Å; G65-G67 PolarHBondContact O-N 3.1Å; G67-V71 WeakPolarHBondContact O-CB 3.36Å; G67-V71 PolarHBondContact O-N 3.24Å
68G98.3Very high97.5Very high0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-69.7-40174.400000113.1A61 G65 P66 V71 A72A61-G68 CarbonylContact O-C 3.6Å; A61-G68 WeakPolarHBondContact O-CA 2.87Å; G65-G68 WeakPolarHBondContact O-CA 3.37Å; G65-G68 PolarHBondContact O-N 3.49Å; P66-G68 VanDerWaalsContact C-N 3.32Å; G68-V71 WeakPolarHBondContact O-CG1 3.48Å; G68-A72 VanDerWaalsContact O-CB 3.26Å; G68-A72 WeakPolarHBondContact O-CB 3.34Å; G68-A72 PolarHBondContact O-N 3.19Å
69V98.5Very high97.2Very high53 Ų5352.4 Ų52.432%0.32126%0.258SS..Hα-helixtrans-60.8-48.9171.8174.60000110.6A62 G65 P66 V71 A72 E73 R104A62-V69 HydrophobicContact CB-CG2 3.89Å; G65-V69 PolarHBondContact O-N 3.13Å; P66-V69 PolarHBondContact O-N 3.03Å; V69-V71 PolarHBondContact O-N 3.46Å; V69-A72 PolarHBondContact O-N 3.04Å; V69-E73 PolarHBondContact O-N 2.65Å; V69-E73 VanDerWaalsContact O-N 3.14Å; V69-R104 HydrophobicContact CG1-CG 4.06Å
70W98.2Very high96.7Very high129 Ų12950.6 Ų50.649%0.48925%0.252SS..Hα-helixtrans-59.3-48.518017180000112.2F23 A27 P66 A72 E73 V74F23-W70 HydrophobicContact CE1-CD2 4.38Å; F23-W70 HydrophobicContact CE1-CE3 4.19Å; F23-W70 HydrophobicContact CE2-CB 4.22Å; F23-W70 HydrophobicContact CZ-CB 3.87Å; F23-W70 AromaticContact CZ-CD2 3.93Å; F23-W70 HydrophobicContact CZ-CD2 3.93Å; F23-W70 HydrophobicContact CZ-CE3 4.1Å; F23-W70 AromaticContact CZ-CG 3.81Å; F23-W70 HydrophobicContact CZ-CG 3.81Å; A27-W70 HydrophobicContact CB-CE3 4.13Å; A27-W70 HydrophobicContact CB-CZ3 4.21Å; P66-W70 WeakPolarHBondContact O-CB 3.19Å; P66-W70 PolarHBondContact O-N 3.42Å; W70-A72 VanDerWaalsContact C-N 3.33Å; W70-A72 PolarHBondContact O-N 3.47Å; W70-E73 PolarHBondContact O-N 2.96Å; W70-V74 HydrophobicContact CD2-CG2 4.33Å; W70-V74 HydrophobicContact CZ2-CG2 3.92Å; W70-V74 WeakPolarHBondContact O-CG2 3.41Å; W70-V74 PolarHBondContact O-N 3.26Å; W70-V74 VanDerWaalsContact O-N 3.07Å
71V98.3Very high96.1Very high13 Ų1352.9 Ų52.98%0.07927%0.266CS..Hα-helixtrans-69.7-33.7-17780.40000111.9A27 A31 G67 G68 V69 E73 V74 I75A27-V71 HydrophobicContact CB-CB 4.2Å; A27-V71 WeakPolarHBondContact O-CG1 3.35Å; A31-V71 HydrophobicContact CB-CG2 4.06Å; G67-V71 WeakPolarHBondContact O-CB 3.36Å; G67-V71 PolarHBondContact O-N 3.24Å; G68-V71 WeakPolarHBondContact O-CG1 3.48Å; V69-V71 PolarHBondContact O-N 3.46Å; V71-E73 VanDerWaalsContact C-N 3.33Å; V71-V74 PolarHBondContact O-N 2.97Å; V71-I75 HydrophobicContact CG2-CD1 3.92Å; V71-I75 HydrophobicContact CG2-CG1 4.38Å; V71-I75 WeakPolarHBondContact O-CB 3.3Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 3.3Å
72A98.6Very high95.4Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-64.5-38.7176.400000111.8M34 A61 G68 V69 W70 S76M34-A72 HydrophobicContact CG-CB 4.46Å; M34-A72 HydrophobicContact SD-CB 4.09Å; A61-A72 HydrophobicContact CB-CB 3.81Å; G68-A72 VanDerWaalsContact O-CB 3.26Å; G68-A72 WeakPolarHBondContact O-CB 3.34Å; G68-A72 PolarHBondContact O-N 3.19Å; V69-A72 PolarHBondContact O-N 3.04Å; W70-A72 VanDerWaalsContact C-N 3.33Å; W70-A72 PolarHBondContact O-N 3.47Å; A72-S76 VanDerWaalsContact O-CB 3.24Å; A72-S76 WeakPolarHBondContact O-CB 3.32Å; A72-S76 PolarHBondContact O-N 2.71Å; A72-S76 PolarHBondContact O-OG 3.33Å
73E98.3Very high94.9Very high85 Ų8557.5 Ų57.540%0.39729%0.29SS..Hα-helixtrans-62.7-55.1172.2-175.8168.7-156.100111.4V69 W70 V71 I75 S76 D77V69-E73 PolarHBondContact O-N 2.65Å; V69-E73 VanDerWaalsContact O-N 3.14Å; W70-E73 PolarHBondContact O-N 2.96Å; V71-E73 VanDerWaalsContact C-N 3.33Å; E73-I75 VanDerWaalsContact C-N 3.32Å; E73-I75 PolarHBondContact O-N 3.48Å; E73-S76 WeakPolarHBondContact O-CB 3.42Å; E73-S76 PolarHBondContact O-N 3.46Å; E73-S76 VanDerWaalsContact O-N 3.08Å; E73-D77 PolarHBondContact O-N 2.95Å
74V98.1Very high94.1Very high64 Ų6453.7 Ų53.739%0.38828%0.282SS..Hα-helixtrans-55.6-44.1179.9171.20000112.5W70 V71 L78W70-V74 HydrophobicContact CD2-CG2 4.33Å; W70-V74 HydrophobicContact CZ2-CG2 3.92Å; W70-V74 WeakPolarHBondContact O-CG2 3.41Å; W70-V74 PolarHBondContact O-N 3.26Å; W70-V74 VanDerWaalsContact O-N 3.07Å; V71-V74 PolarHBondContact O-N 2.97Å; V74-L78 VanDerWaalsContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CB 3.36Å; V74-L78 PolarHBondContact O-N 3.36Å
75I97.4Very high93.4Very high59 Ų5956.1 Ų56.130%0.30330%0.3SS..Hα-helixtrans-70-38179.8-68.9171.9000111.3A31 M34 V71 E73 R79A31-I75 HydrophobicContact CB-CD1 4.13Å; M34-I75 HydrophobicContact CB-CD1 4.05Å; M34-I75 HydrophobicContact CB-CG2 4.35Å; M34-I75 HydrophobicContact CE-CB 4.05Å; M34-I75 HydrophobicContact CE-CG2 3.75Å; M34-I75 HydrophobicContact CG-CD1 4.2Å; V71-I75 HydrophobicContact CG2-CD1 3.92Å; V71-I75 HydrophobicContact CG2-CG1 4.38Å; V71-I75 WeakPolarHBondContact O-CB 3.3Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 3.3Å; E73-I75 VanDerWaalsContact C-N 3.32Å; E73-I75 PolarHBondContact O-N 3.48Å; I75-R79 WeakPolarHBondContact O-CB 3.49Å; I75-R79 PolarHBondContact O-N 3.5Å
76S96.9Very high92.9Very high4 Ų460 Ų603%0.02832%0.324CS..Hα-helixtrans-62.1-48.7177.6-63.70000111.1N58 A72 E73 R79 E80N58-S76 PolarHBondContact ND2-OG 3Å; N58-S76 PolarHBondContact OD1-OG 3.25Å; A72-S76 VanDerWaalsContact O-CB 3.24Å; A72-S76 WeakPolarHBondContact O-CB 3.32Å; A72-S76 PolarHBondContact O-N 2.71Å; A72-S76 PolarHBondContact O-OG 3.33Å; E73-S76 WeakPolarHBondContact O-CB 3.42Å; E73-S76 PolarHBondContact O-N 3.46Å; E73-S76 VanDerWaalsContact O-N 3.08Å; S76-R79 WeakPolarHBondContact O-CB 3.37Å; S76-R79 PolarHBondContact O-N 2.73Å; S76-E80 PolarHBondContact O-N 3.14Å
77D94.1Very high92.2Very high67 Ų6760.3 Ų60.336%0.35834%0.338SS..Hα-helixtrans-68.3-38-178.6-62.1-9000111.7E73 R79 E80 L81 Q97E73-D77 PolarHBondContact O-N 2.95Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.88Å; D77-E80 PolarHBondContact O-N 3.43Å; D77-L81 PolarHBondContact O-N 3.08Å; D77-Q97 PolarHBondContact OD1-NE2 2.91Å; D77-Q97 VanDerWaalsContact OD1-NE2 3.13Å
78L92.3Very high91.5Very high104 Ų10462.8 Ų62.855%0.54535%0.35SS..Hα-helixtrans-62.5-41.2174.3178.861.4000111.5V74 L81 V82V74-L78 VanDerWaalsContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CB 3.36Å; V74-L78 PolarHBondContact O-N 3.36Å; L78-L81 PolarHBondContact O-N 3.26Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.99Å; L78-V82 VanDerWaalsContact O-N 3.15Å
79R91.1Very high90.7Very high68 Ų6864.1 Ų64.126%0.25736%0.364SS..Hα-helixtrans-63.4-45.6177.5-176.9-173.7175-99.214.9110.9H54 I75 S76 D77 L81 V82 Q83 D96H54-R79 PolarHBondContact CE1-NH1 2.97Å; H54-R79 PolarHBondContact CE1-NH2 3.39Å; H54-R79 PolarHBondContact NE2-NH1 2.96Å; H54-R79 PolarHBondContact NE2-NH2 3.5Å; I75-R79 WeakPolarHBondContact O-CB 3.49Å; I75-R79 PolarHBondContact O-N 3.5Å; S76-R79 WeakPolarHBondContact O-CB 3.37Å; S76-R79 PolarHBondContact O-N 2.73Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.88Å; R79-L81 PolarHBondContact O-N 2.99Å; R79-V82 PolarHBondContact O-N 3.37Å; R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 VanDerWaalsContact CZ-CD 3.47Å; R79-Q83 WeakPolarHBondContact O-CB 3.44Å; R79-Q83 WeakPolarHBondContact O-CG 3.5Å; R79-Q83 PolarHBondContact O-N 3.24Å; R79-Q83 PolarHBondContact O-OE1 2.82Å; R79-D96 IonicContact CZ-OD2 3.5Å; R79-D96 IonicContact NH1-OD2 2.62Å; R79-D96 PolarHBondContact NH1-OD2 3.15Å
80E89.4Confident89.7Confident41 Ų4166.5 Ų66.519%0.19238%0.38CS..Hα-helixtrans-56.7-48.3176.6175.3175.8-117.400111.6S76 D77 V82 Q83 G84 E93 Q97S76-E80 PolarHBondContact O-N 3.14Å; D77-E80 PolarHBondContact O-N 3.43Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.07Å; E80-Q83 PolarHBondContact O-N 3.33Å; E80-Q83 VanDerWaalsContact O-N 3.11Å; E80-G84 PolarHBondContact O-N 3.46Å; E80-E93 HydrophobicContact CG-CG 3.68Å; E80-E93 WeakPolarHBondContact CG-OE1 3.31Å; E80-E93 WeakPolarHBondContact OE1-CG 3.24Å; E80-E93 VanDerWaalsContact OE1-OE1 3.09Å; E80-Q97 VanDerWaalsContact CD-NE2 3.29Å; E80-Q97 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q97 PolarHBondContact OE1-NE2 2.97Å; E80-Q97 PolarHBondContact OE2-NE2 2.96Å
81L85.5Confident88.7Confident109 Ų10968.5 Ų68.557%0.57140%0.395SS*.Hα-helixtrans-55.1-47.5176.1178.966.9000112D77 L78 R79 Q83 G84 M85D77-L81 PolarHBondContact O-N 3.08Å; L78-L81 PolarHBondContact O-N 3.26Å; R79-L81 PolarHBondContact O-N 2.99Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.47Å; L81-G84 PolarHBondContact O-N 3.06Å; L81-M85 HydrophobicContact CG-SD 4.47Å; L81-M85 WeakPolarHBondContact O-CG 3.44Å; L81-M85 PolarHBondContact O-N 3.5Å
82V85.7Confident88Confident76 Ų7672.1 Ų72.146%0.46141%0.414SS..Hα-helixtrans-65-36.6179.61720000111.5L78 R79 E80 S86L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.99Å; L78-V82 VanDerWaalsContact O-N 3.15Å; R79-V82 PolarHBondContact O-N 3.37Å; E80-V82 VanDerWaalsContact C-N 3.32Å; E80-V82 PolarHBondContact O-N 3.07Å; V82-S86 PolarHBondContact O-N 3.05Å; V82-S86 PolarHBondContact O-OG 3.46Å
83Q86.6Confident87.5Confident37 Ų3775.5 Ų75.517%0.17343%0.43CS..Hα-helixtrans-72.7-41.8178-77.5176.8-58.800113.1R79 E80 L81 M85 S86 G87 Q88R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 VanDerWaalsContact CZ-CD 3.47Å; R79-Q83 WeakPolarHBondContact O-CB 3.44Å; R79-Q83 WeakPolarHBondContact O-CG 3.5Å; R79-Q83 PolarHBondContact O-N 3.24Å; R79-Q83 PolarHBondContact O-OE1 2.82Å; E80-Q83 PolarHBondContact O-N 3.33Å; E80-Q83 VanDerWaalsContact O-N 3.11Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.47Å; Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 3.33Å; Q83-S86 CarbonylContact O-C 3.59Å; Q83-S86 WeakPolarHBondContact O-CA 3.44Å; Q83-S86 WeakPolarHBondContact O-CB 3.4Å; Q83-S86 PolarHBondContact O-N 3.49Å; Q83-G87 PolarHBondContact O-N 3.12Å; Q83-Q88 HydrophobicContact CB-CB 4.07Å; Q83-Q88 VanDerWaalsContact CB-OE1 3.28Å; Q83-Q88 WeakPolarHBondContact O-CB 3.43Å; Q83-Q88 PolarHBondContact O-N 3.44Å; Q83-Q88 VanDerWaalsContact O-N 3.1Å
84G82.9Confident87.2Confident37 Ų3774.5 Ų74.538%0.38144%0.436SS..Hα-helixtrans-59.5-42.3173.400000111.2E80 L81 S86 G87E80-G84 PolarHBondContact O-N 3.46Å; L81-G84 PolarHBondContact O-N 3.06Å; G84-S86 PolarHBondContact O-N 3.11Å; G84-G87 PolarHBondContact O-N 3.2Å; G84-G87 VanDerWaalsContact O-N 3.12Å
85M83Confident87Confident151 Ų15173.4 Ų73.474%0.74443%0.433SS*.Hα-helixtrans-61.5-25.7171.6-74.3175.541.300113.8L81 Q83 G87L81-M85 HydrophobicContact CG-SD 4.47Å; L81-M85 WeakPolarHBondContact O-CG 3.44Å; L81-M85 PolarHBondContact O-N 3.5Å; Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 3.33Å; M85-G87 VanDerWaalsContact C-N 3.35Å
86S84.6Confident86.8Confident101 Ų10170.9 Ų70.971%0.70642%0.42SS*.THydrogen-bonded Turntrans-913.8179.5-56.20000113.2V82 Q83 G84V82-S86 PolarHBondContact O-N 3.05Å; V82-S86 PolarHBondContact O-OG 3.46Å; Q83-S86 CarbonylContact O-C 3.59Å; Q83-S86 WeakPolarHBondContact O-CA 3.44Å; Q83-S86 WeakPolarHBondContact O-CB 3.4Å; Q83-S86 PolarHBondContact O-N 3.49Å; G84-S86 PolarHBondContact O-N 3.11Å
87G80.9Confident86.8Confident69 Ų6971.9 Ų71.971%0.71143%0.425SS*.THydrogen-bonded Turntrans91.818.6175.500000115.5Q83 G84 M85Q83-G87 PolarHBondContact O-N 3.12Å; G84-G87 PolarHBondContact O-N 3.2Å; G84-G87 VanDerWaalsContact O-N 3.12Å; M85-G87 VanDerWaalsContact C-N 3.35Å
88Q82.9Confident87Confident51 Ų5171 Ų7124%0.23843%0.427CS..  trans-64.5140.5171.5-174.1159.2-26.500110.9Q83 D92 D96Q83-Q88 HydrophobicContact CB-CB 4.07Å; Q83-Q88 VanDerWaalsContact CB-OE1 3.28Å; Q83-Q88 WeakPolarHBondContact O-CB 3.43Å; Q83-Q88 PolarHBondContact O-N 3.44Å; Q83-Q88 VanDerWaalsContact O-N 3.1Å; Q88-D92 HydrophobicContact CG-CB 3.79Å; Q88-D96 PolarHBondContact NE2-OD2 2.94Å
89G81Confident87.3Confident29 Ų2966.1 Ų66.130%0.29940%0.401SS..  trans-79.7155.7179.900000112.9E91 D92 E93G89-E91 VanDerWaalsContact C-N 3.27Å; G89-E91 PolarHBondContact O-N 3.23Å; G89-D92 PolarHBondContact O-N 2.93Å; G89-E93 PolarHBondContact O-N 3.22Å
90P78Confident87.6Confident102 Ų10263 Ų6366%0.66239%0.39SS*.Hα-helixtrans-65.7-24.7-175.925.8-35.1000114A94P90-A94 WeakPolarHBondContact O-CB 3.42Å; P90-A94 PolarHBondContact O-N 2.96Å
91E77Confident88.1Confident172 Ų17265.8 Ų65.880%0.80440%0.403SS*.Hα-helixtrans-71-40.2175.9-66-176.7178.600111.9G89 E93 A94 A95G89-E91 VanDerWaalsContact C-N 3.27Å; G89-E91 PolarHBondContact O-N 3.23Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-A94 PolarHBondContact O-N 3.41Å; E91-A95 PolarHBondContact O-N 3.06Å; E91-A95 VanDerWaalsContact O-N 3.11Å
92D84.8Confident88.7Confident89 Ų8964.4 Ų64.448%0.47639%0.39SS..Hα-helixtrans-69-37.4177.3-70.2-37.2000111.1Q88 G89 A95 D96Q88-D92 HydrophobicContact CG-CB 3.79Å; G89-D92 PolarHBondContact O-N 2.93Å; D92-A95 PolarHBondContact O-N 2.99Å; D92-D96 PolarHBondContact O-N 2.95Å
93E87.8Confident89.3Confident71 Ų7160.8 Ų60.833%0.33237%0.368SS..Hα-helixtrans-58.2-52.8172.4-179.2172.3177.700111.7E80 G89 E91 A95 D96 Q97E80-E93 HydrophobicContact CG-CG 3.68Å; E80-E93 WeakPolarHBondContact CG-OE1 3.31Å; E80-E93 WeakPolarHBondContact OE1-CG 3.24Å; E80-E93 VanDerWaalsContact OE1-OE1 3.09Å; G89-E93 PolarHBondContact O-N 3.22Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.45Å; E93-D96 PolarHBondContact O-N 2.84Å; E93-D96 VanDerWaalsContact O-N 3.16Å; E93-Q97 PolarHBondContact O-N 3Å
94A91.3Very high89.9Confident63 Ų6360.2 Ų60.252%0.52136%0.364SS..Hα-helixtrans-60.3-36.917800000112.8P90 E91 A98P90-A94 WeakPolarHBondContact O-CB 3.42Å; P90-A94 PolarHBondContact O-N 2.96Å; E91-A94 PolarHBondContact O-N 3.41Å; A94-A98 WeakPolarHBondContact O-CB 3.44Å; A94-A98 PolarHBondContact O-N 3.41Å
95A93.6Very high90.6Very high41 Ų4163 Ų6334%0.33938%0.378SS..Hα-helixtrans-69.8-39.3176.800000112.6E91 D92 E93 A98 A99E91-A95 PolarHBondContact O-N 3.06Å; E91-A95 VanDerWaalsContact O-N 3.11Å; D92-A95 PolarHBondContact O-N 2.99Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.45Å; A95-A98 PolarHBondContact O-N 3.45Å; A95-A99 PolarHBondContact O-N 2.91Å; A95-A99 VanDerWaalsContact O-N 3.17Å
96D93.8Very high91.3Very high6 Ų657.7 Ų57.73%0.03236%0.362CS..Hα-helixtrans-61.9-48173.7-84-10.4000110.6K51 H54 R79 Q88 D92 E93 A98 A99 N100K51-D96 WeakPolarHBondContact CD-OD1 3.39Å; K51-D96 WeakPolarHBondContact CE-OD1 3.35Å; K51-D96 IonicContact NZ-OD1 3.33Å; K51-D96 PolarHBondContact NZ-OD1 3.04Å; H54-D96 IonicContact CD2-OD1 3.43Å; H54-D96 IonicContact NE2-OD1 3.68Å; H54-D96 IonicContact NE2-OD2 2.71Å; R79-D96 IonicContact CZ-OD2 3.5Å; R79-D96 IonicContact NH1-OD2 2.62Å; R79-D96 PolarHBondContact NH1-OD2 3.15Å; Q88-D96 PolarHBondContact NE2-OD2 2.94Å; D92-D96 PolarHBondContact O-N 2.95Å; E93-D96 PolarHBondContact O-N 2.84Å; E93-D96 VanDerWaalsContact O-N 3.16Å; D96-A98 PolarHBondContact O-N 2.82Å; D96-A99 PolarHBondContact O-N 2.91Å; D96-A99 VanDerWaalsContact O-N 3.17Å; D96-N100 VanDerWaalsContact O-CG 3.26Å; D96-N100 PolarHBondContact O-N 3.41Å; D96-N100 PolarHBondContact O-ND2 3.03Å
97Q96.1Very high92Very high25 Ų2553.4 Ų53.412%0.11733%0.333CS..Hα-helixtrans-63.3-40.5178.3-75.9-67.211.800112.7D77 E80 E93 A99 N100 H101D77-Q97 PolarHBondContact OD1-NE2 2.91Å; D77-Q97 VanDerWaalsContact OD1-NE2 3.13Å; E80-Q97 VanDerWaalsContact CD-NE2 3.29Å; E80-Q97 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q97 PolarHBondContact OE1-NE2 2.97Å; E80-Q97 PolarHBondContact OE2-NE2 2.96Å; E93-Q97 PolarHBondContact O-N 3Å; Q97-A99 VanDerWaalsContact C-N 3.28Å; Q97-A99 PolarHBondContact O-N 2.81Å; Q97-N100 PolarHBondContact O-N 3.2Å; Q97-N100 PolarHBondContact OE1-ND2 3.41Å; Q97-H101 WeakPolarHBondContact O-CB 3.37Å; Q97-H101 PolarHBondContact O-CD2 3.31Å; Q97-H101 PolarHBondContact O-N 3.24Å
98A98.1Very high92.8Very high50 Ų5054.5 Ų54.541%0.41332%0.323SS..Hα-helixtrans-58.4-40.7174.900000112.2A94 A95 D96 W102A94-A98 WeakPolarHBondContact O-CB 3.44Å; A94-A98 PolarHBondContact O-N 3.41Å; A95-A98 PolarHBondContact O-N 3.45Å; D96-A98 PolarHBondContact O-N 2.82Å; A98-W102 WeakPolarHBondContact O-CB 3.31Å; A98-W102 PolarHBondContact O-N 2.94Å
99A98.4Very high93.6Very high0 Ų052.5 Ų52.50%032%0.315CS..Hα-helixtrans-69.6-42.8176.500000112.4K51 H54 A55 A95 D96 Q97 W102 G103 Y112K51-A99 HydrophobicContact CB-CB 4.03Å; K51-A99 HydrophobicContact CG-CB 3.97Å; H54-A99 HydrophobicContact CB-CB 3.89Å; A55-A99 WeakPolarHBondContact CA-O 3.35Å; A95-A99 PolarHBondContact O-N 2.91Å; A95-A99 VanDerWaalsContact O-N 3.17Å; D96-A99 PolarHBondContact O-N 2.91Å; D96-A99 VanDerWaalsContact O-N 3.17Å; Q97-A99 VanDerWaalsContact C-N 3.28Å; Q97-A99 PolarHBondContact O-N 2.81Å; A99-W102 PolarHBondContact O-N 3.06Å; A99-G103 PolarHBondContact O-N 3.46Å; A99-G103 VanDerWaalsContact O-N 3.09Å; A99-Y112 HydrophobicContact CB-CD2 4.32Å; A99-Y112 HydrophobicContact CB-CE1 4.38Å; A99-Y112 HydrophobicContact CB-CE2 4.01Å
100N98.6Very high94.4Very high4 Ų455 Ų552%0.02132%0.321CS..Hα-helixtrans-56.9-51.4174.8-66.1-32.1000110.8H54 N58 D96 Q97 W102 G103 R104H54-N100 WeakPolarHBondContact CB-OD1 3.45Å; H54-N100 PolarHBondContact ND1-OD1 3.16Å; N58-N100 VanDerWaalsContact CB-O 3.3Å; N58-N100 WeakPolarHBondContact CB-O 3.35Å; N58-N100 PolarHBondContact ND2-OD1 3.18Å; D96-N100 VanDerWaalsContact O-CG 3.26Å; D96-N100 PolarHBondContact O-N 3.41Å; D96-N100 PolarHBondContact O-ND2 3.03Å; Q97-N100 PolarHBondContact O-N 3.2Å; Q97-N100 PolarHBondContact OE1-ND2 3.41Å; N100-W102 PolarHBondContact O-N 2.99Å; N100-G103 PolarHBondContact O-N 3.27Å; N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.26Å; N100-R104 PolarHBondContact O-N 3.03Å
101H98.6Very high95.4Very high98 Ų9857.6 Ų57.645%0.45432%0.318SS..Hα-helixtrans-63.1-39.5179-78.4-67.5000113Q97 R104 S105Q97-H101 WeakPolarHBondContact O-CB 3.37Å; Q97-H101 PolarHBondContact O-CD2 3.31Å; Q97-H101 PolarHBondContact O-N 3.24Å; H101-R104 PolarHBondContact CE1-NH2 3.39Å; H101-R104 VanDerWaalsContact CE1-NH2 3.28Å; H101-R104 PolarHBondContact ND1-NH2 3.49Å; H101-R104 PolarHBondContact O-N 3.38Å; H101-S105 VanDerWaalsContact O-CB 3.31Å; H101-S105 WeakPolarHBondContact O-CB 3.49Å; H101-S105 PolarHBondContact O-N 3.08Å; H101-S105 PolarHBondContact O-OG 3.39Å
102W98.8Very high96.4Very high80 Ų8052.3 Ų52.330%0.30329%0.291SS..Hα-helixtrans-59.1-49.5176.5176.7-100.5000111.3A98 A99 N100 S105 G107 D108 R111 Y112A98-W102 WeakPolarHBondContact O-CB 3.31Å; A98-W102 PolarHBondContact O-N 2.94Å; A99-W102 PolarHBondContact O-N 3.06Å; N100-W102 PolarHBondContact O-N 2.99Å; W102-S105 PolarHBondContact O-OG 3.42Å; W102-G107 VanDerWaalsContact NE1-C 3.35Å; W102-G107 WeakPolarHBondContact O-CA 3.27Å; W102-G107 PolarHBondContact O-N 2.94Å; W102-D108 PolarHBondContact NE1-O 3.32Å; W102-R111 VanDerWaalsContact CE2-CD 3.46Å; W102-R111 HydrophobicContact CZ2-CB 4.44Å; W102-Y112 HydrophobicContact CB-CE2 3.94Å; W102-Y112 AromaticContact CD1-CE2 3.63Å; W102-Y112 AromaticContact CG-CE2 3.85Å; W102-Y112 HydrophobicContact CG-CE2 3.85Å
103G98.8Very high97Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-62-50.2175.900000112.3A55 Y59 A99 N100 S105 G106A55-G103 VanDerWaalsContact O-CA 3.28Å; A55-G103 WeakPolarHBondContact O-CA 3.42Å; Y59-G103 VanDerWaalsContact CA-O 3.28Å; Y59-G103 WeakPolarHBondContact CA-O 3.36Å; A99-G103 PolarHBondContact O-N 3.46Å; A99-G103 VanDerWaalsContact O-N 3.09Å; N100-G103 PolarHBondContact O-N 3.27Å; G103-S105 PolarHBondContact O-N 3.02Å; G103-G106 PolarHBondContact O-N 3.21Å
104R98.6Very high97.5Very high26 Ų2648.8 Ų48.810%0.09827%0.271CS..Hα-helixtrans-62.7-26.2-176.1-166.9157.964.2-12912.2113.2N58 A62 V69 N100 H101 G106N58-R104 HydrophobicContact CB-CB 4.03Å; N58-R104 PolarHBondContact OD1-NH1 3.44Å; A62-R104 HydrophobicContact CB-CG 4.42Å; A62-R104 WeakPolarHBondContact CB-O 3.25Å; V69-R104 HydrophobicContact CG1-CG 4.06Å; N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.26Å; N100-R104 PolarHBondContact O-N 3.03Å; H101-R104 PolarHBondContact CE1-NH2 3.39Å; H101-R104 VanDerWaalsContact CE1-NH2 3.28Å; H101-R104 PolarHBondContact ND1-NH2 3.49Å; H101-R104 PolarHBondContact O-N 3.38Å; R104-G106 VanDerWaalsContact C-N 3.3Å
105S98.3Very high97.8Very high94 Ų9455.8 Ų55.866%0.65729%0.289SS*.THydrogen-bonded Turntrans-84.92.8174.460.50000114.3H101 W102 G103H101-S105 VanDerWaalsContact O-CB 3.31Å; H101-S105 WeakPolarHBondContact O-CB 3.49Å; H101-S105 PolarHBondContact O-N 3.08Å; H101-S105 PolarHBondContact O-OG 3.39Å; W102-S105 PolarHBondContact O-OG 3.42Å; G103-S105 PolarHBondContact O-N 3.02Å
106G98.2Very high97.9Very high41 Ų4156.4 Ų56.442%0.42330%0.3SS..THydrogen-bonded Turntrans86.611.8-18000000114.3G103 R104G103-G106 PolarHBondContact O-N 3.21Å; R104-G106 VanDerWaalsContact C-N 3.3Å
107G98.5Very high98.1Very high10 Ų1056.5 Ų56.510%0.10330%0.3CS..  trans-68.6145.3173.200000111.9Y59 W102 P109Y59-G107 WeakPolarHBondContact CD2-O 3.14Å; W102-G107 VanDerWaalsContact NE1-C 3.35Å; W102-G107 WeakPolarHBondContact O-CA 3.27Å; W102-G107 PolarHBondContact O-N 2.94Å; G107-P109 VanDerWaalsContact O-CD 3.25Å; G107-P109 WeakPolarHBondContact O-CD 3.41Å
108D98.6Very high98.2Very high92 Ų9257.9 Ų57.949%0.49231%0.311SS..  trans-62.7116.3179.6179.52.1000111.2W102 N110 R111W102-D108 PolarHBondContact NE1-O 3.32Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 VanDerWaalsContact OD1-CB 3.28Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 3.2Å; D108-N110 PolarHBondContact OD1-ND2 3.49Å; D108-R111 WeakPolarHBondContact O-CB 3.49Å; D108-R111 PolarHBondContact O-N 3.16Å; D108-R111 VanDerWaalsContact O-N 3.12Å
109P98.6Very high98.1Very high10 Ų1064.6 Ų64.67%0.06533%0.334CS..G310 helixtrans-56.9-25.4178.2-25.836.2000113.4Y52 A55 R56 Y59 G107 R111 Y112Y52-P109 HydrophobicContact CD2-CB 4.28Å; Y52-P109 WeakPolarHBondContact CD2-O 3.38Å; Y52-P109 HydrophobicContact CE2-CB 4.05Å; A55-P109 HydrophobicContact CB-CB 4.03Å; R56-P109 HydrophobicContact CB-CB 4.02Å; R56-P109 HydrophobicContact CB-CG 4.29Å; Y59-P109 HydrophobicContact CD1-CG 4.29Å; Y59-P109 HydrophobicContact CD2-CG 4.4Å; Y59-P109 HydrophobicContact CG-CG 3.9Å; G107-P109 VanDerWaalsContact O-CD 3.25Å; G107-P109 WeakPolarHBondContact O-CD 3.41Å; P109-R111 PolarHBondContact O-N 3.26Å; P109-Y112 PolarHBondContact O-N 3.27Å
110N98.4Very high98Very high81 Ų8171.4 Ų71.443%0.43336%0.364SS..G310 helixtrans-63.1-14179.7-65.9-62000113.9D108 Y112 R113D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 VanDerWaalsContact OD1-CB 3.28Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 3.2Å; D108-N110 PolarHBondContact OD1-ND2 3.49Å; N110-Y112 PolarHBondContact O-N 3.17Å; N110-Y112 VanDerWaalsContact O-N 3.14Å; N110-R113 HydrophobicContact CB-CB 4.35Å; N110-R113 WeakPolarHBondContact O-CB 3.33Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-R113 VanDerWaalsContact O-N 3.07Å; N110-R113 WeakPolarHBondContact OD1-CD 3.38Å
111R98.1Very high97.9Very high157 Ų15772.4 Ų72.459%0.59237%0.367SS*.G310 helixtrans-49.3-35165.2-179.9175.2-176166.50.9112.8W102 D108 P109W102-R111 VanDerWaalsContact CE2-CD 3.46Å; W102-R111 HydrophobicContact CZ2-CB 4.44Å; D108-R111 WeakPolarHBondContact O-CB 3.49Å; D108-R111 PolarHBondContact O-N 3.16Å; D108-R111 VanDerWaalsContact O-N 3.12Å; P109-R111 PolarHBondContact O-N 3.26Å
112Y98Very high97.8Very high61 Ų6171.1 Ų71.124%0.23936%0.363CS..G310 helixtrans-104.82-178.6-62.5-76.7000113.4K51 A55 A99 W102 P109 N110 P114K51-Y112 HydrophobicContact CB-CD1 3.74Å; K51-Y112 HydrophobicContact CB-CE1 4.43Å; K51-Y112 HydrophobicContact CB-CG 4Å; K51-Y112 HydrophobicContact CG-CD1 4.38Å; A55-Y112 HydrophobicContact CB-CD2 3.82Å; A55-Y112 HydrophobicContact CB-CE2 4.3Å; A99-Y112 HydrophobicContact CB-CD2 4.32Å; A99-Y112 HydrophobicContact CB-CE1 4.38Å; A99-Y112 HydrophobicContact CB-CE2 4.01Å; W102-Y112 HydrophobicContact CB-CE2 3.94Å; W102-Y112 AromaticContact CD1-CE2 3.63Å; W102-Y112 AromaticContact CG-CE2 3.85Å; W102-Y112 HydrophobicContact CG-CE2 3.85Å; P109-Y112 PolarHBondContact O-N 3.27Å; N110-Y112 PolarHBondContact O-N 3.17Å; N110-Y112 VanDerWaalsContact O-N 3.14Å; Y112-P114 VanDerWaalsContact O-CD 3.31Å; Y112-P114 WeakPolarHBondContact O-CD 3.31Å
113R98.3Very high97.8Very high65 Ų6570.6 Ų70.625%0.24537%0.366CS..PPolyproline II helixtrans-65.9119.5-175.7-174.4-178.6-163.684.75.3110.4Y52 N110 L117 P118 Y121Y52-R113 HydrophobicContact CD2-CB 3.8Å; Y52-R113 HydrophobicContact CD2-CG 4.29Å; Y52-R113 HydrophobicContact CE2-CB 4.14Å; Y52-R113 HydrophobicContact CE2-CG 4.38Å; Y52-R113 HydrophobicContact CG-CB 4.49Å; Y52-R113 PolarHBondContact OH-NH1 3.22Å; N110-R113 HydrophobicContact CB-CB 4.35Å; N110-R113 WeakPolarHBondContact O-CB 3.33Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-R113 VanDerWaalsContact O-N 3.07Å; N110-R113 WeakPolarHBondContact OD1-CD 3.38Å; R113-L117 HydrophobicContact CG-CB 4.28Å; R113-L117 HydrophobicContact CG-CD2 4.22Å; R113-L117 PolarHBondContact NH2-O 3.48Å; R113-P118 PolarHBondContact NH2-O 3.38Å; R113-Y121 PolarHBondContact NH1-O 3.35Å; R113-Y121 PolarHBondContact NH2-O 3.07Å
114P97.6Very high97.7Very high21 Ų2174.6 Ų74.614%0.13639%0.387CS..PPolyproline II helixtrans-72.7145.5176.829.2-32.6000110.6W46 Y112 G116 L117W46-P114 HydrophobicContact CG-CG 4.44Å; Y112-P114 VanDerWaalsContact O-CD 3.31Å; Y112-P114 WeakPolarHBondContact O-CD 3.31Å; P114-G116 PolarHBondContact O-N 2.88Å; P114-L117 HydrophobicContact CG-CB 4.08Å; P114-L117 HydrophobicContact CG-CD2 4.48Å; P114-L117 WeakPolarHBondContact O-CB 3.45Å; P114-L117 PolarHBondContact O-N 3.03Å
115K97.3Very high97.7Very high209 Ų20977.4 Ų77.491%0.90940%0.404SS*.THydrogen-bonded Turntrans-57.1127.6178.5-173.3178.3-179.6179.30110.2
116G97.1Very high97.7Very high55 Ų5576.4 Ų76.457%0.56739%0.388SS*.THydrogen-bonded Turntrans88.2-1.6176.700000115.3W46 P114 P118W46-G116 WeakPolarHBondContact CH2-O 3.36Å; W46-G116 VanDerWaalsContact CZ2-O 3.25Å; W46-G116 WeakPolarHBondContact CZ2-O 3.3Å; P114-G116 PolarHBondContact O-N 2.88Å; G116-P118 WeakPolarHBondContact O-CD 3.32Å
117L97.9Very high97.6Very high7 Ų778.7 Ų78.74%0.03739%0.385CS..  trans-56.6123.6171.8-174.268.9000109.6W46 Y52 F53 R113 P114 E119 Y121W46-L117 HydrophobicContact CB-CD1 3.59Å; W46-L117 HydrophobicContact CD2-CD1 4.04Å; W46-L117 HydrophobicContact CG-CD1 3.6Å; Y52-L117 HydrophobicContact CD1-CD2 3.45Å; Y52-L117 VanDerWaalsContact CD1-CD2 3.45Å; Y52-L117 HydrophobicContact CE1-CD2 3.56Å; Y52-L117 HydrophobicContact CG-CD2 4.14Å; F53-L117 HydrophobicContact CE2-CD1 4.42Å; F53-L117 HydrophobicContact CE2-CD2 4.46Å; F53-L117 HydrophobicContact CZ-CD1 4.3Å; F53-L117 HydrophobicContact CZ-CD2 4.19Å; R113-L117 HydrophobicContact CG-CB 4.28Å; R113-L117 HydrophobicContact CG-CD2 4.22Å; R113-L117 PolarHBondContact NH2-O 3.48Å; P114-L117 HydrophobicContact CG-CB 4.08Å; P114-L117 HydrophobicContact CG-CD2 4.48Å; P114-L117 WeakPolarHBondContact O-CB 3.45Å; P114-L117 PolarHBondContact O-N 3.03Å; L117-E119 PolarHBondContact O-N 3.32Å; L117-Y121 HydrophobicContact CD1-CD2 4.03Å; L117-Y121 HydrophobicContact CG-CD2 4.31Å
118P98Very high97.6Very high54 Ų5483.6 Ų83.635%0.35141%0.406SS..  trans-52.3135.2-178-29.135.6000112.5R113 G116 K120 Y121R113-P118 PolarHBondContact NH2-O 3.38Å; G116-P118 WeakPolarHBondContact O-CD 3.32Å; P118-K120 HydrophobicContact CB-CG 4.29Å; P118-K120 PolarHBondContact O-N 2.99Å; P118-Y121 HydrophobicContact CB-CD2 3.92Å; P118-Y121 HydrophobicContact CB-CE2 4.08Å; P118-Y121 HydrophobicContact CG-CD2 4.17Å; P118-Y121 HydrophobicContact CG-CE2 4.06Å; P118-Y121 PolarHBondContact O-N 3.43Å
119E96.1Very high97.5Very high191 Ų19183 Ų8389%0.89340%0.399SS*.THydrogen-bonded Turntrans-59.9-18.3-174.3-67.6-178172.200114.7L117 Y121L117-E119 PolarHBondContact O-N 3.32Å; E119-Y121 PolarHBondContact O-N 3.03Å
120K96.4Very high97.4Very high144 Ų14489.1 Ų89.163%0.62643%0.427SS*.THydrogen-bonded Turntrans-65.8-18.7175.273173.7-166166.30113.4E43 P118E43-K120 IonicContact OE1-NZ 2.65Å; E43-K120 PolarHBondContact OE1-NZ 2.92Å; P118-K120 HydrophobicContact CB-CG 4.29Å; P118-K120 PolarHBondContact O-N 2.99Å
121Y95.3Very high97.3Very high24 Ų2489.8 Ų89.89%0.09443%0.426CS..  trans-100.30177.6-57.3-59.2000111D40 E43 S44 Y52 F53 R56 R113 L117 P118 E119D40-Y121 HydrophobicContact CB-CD1 3.74Å; D40-Y121 HydrophobicContact CB-CE1 4.05Å; E43-Y121 PolarHBondContact OE1-OH 3.03Å; S44-Y121 VanDerWaalsContact CB-CE2 3.42Å; Y52-Y121 VanDerWaalsContact CE1-OXT 3.31Å; Y52-Y121 WeakPolarHBondContact CE1-OXT 3.32Å; Y52-Y121 PolarHBondContact OH-O 3.01Å; Y52-Y121 PolarHBondContact OH-OXT 2.86Å; F53-Y121 HydrophobicContact CE1-CD1 4.44Å; F53-Y121 HydrophobicContact CE1-CG 4.42Å; F53-Y121 HydrophobicContact CZ-CD1 4.43Å; F53-Y121 HydrophobicContact CZ-CG 4.16Å; R56-Y121 WeakPolarHBondContact CD-OXT 3.46Å; R56-Y121 PolarHBondContact NH1-OXT 2.78Å; R113-Y121 PolarHBondContact NH1-O 3.35Å; R113-Y121 PolarHBondContact NH2-O 3.07Å; L117-Y121 HydrophobicContact CD1-CD2 4.03Å; L117-Y121 HydrophobicContact CG-CD2 4.31Å; P118-Y121 HydrophobicContact CB-CD2 3.92Å; P118-Y121 HydrophobicContact CB-CE2 4.08Å; P118-Y121 HydrophobicContact CG-CD2 4.17Å; P118-Y121 HydrophobicContact CG-CE2 4.06Å; P118-Y121 PolarHBondContact O-N 3.43Å; E119-Y121 PolarHBondContact O-N 3.03Å

Retrieved 121 of 121 residues in 1015.1 ms (Link to these results)

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