A0A077ZFE2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 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
1M58.3Low77Confident137 Ų13783.3 Ų83.368%0.67542%0.421SS*.  092.20-75.6-167.9176.800111.5M6 E25M1-M6 HydrophobicContact CB-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 4.36Å; M1-E25 WeakPolarHBondContact CA-OE1 3.37Å; M1-E25 WeakPolarHBondContact CA-OE2 3.29Å; M1-E25 VanDerWaalsContact CG-OE2 3.27Å; M1-E25 WeakPolarHBondContact CG-OE2 3.45Å; M1-E25 VanDerWaalsContact N-CD 3.26Å; M1-E25 PolarHBondContact N-OE1 3.5Å; M1-E25 PolarHBondContact N-OE2 3.5Å
2D76.1Confident76.8Confident110 Ų11078.3 Ų78.359%0.58840%0.401SS*.  trans-62.5149.8160.8-64.2-47.6000110.5E4 V5 M6D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.09Å; D2-V5 HydrophobicContact CB-CG2 4.36Å; D2-V5 PolarHBondContact O-N 3.25Å; D2-M6 PolarHBondContact O-N 3.47Å; D2-M6 VanDerWaalsContact O-N 3.11Å
3Q78.7Confident76.7Confident124 Ų12480.8 Ų80.858%0.57941%0.408SS*.Hα-helixtrans-58-39.5-176.3-176.863.853.100112M6 D7Q3-M6 WeakPolarHBondContact O-CB 3.3Å; Q3-M6 PolarHBondContact O-N 3.35Å; Q3-D7 PolarHBondContact NE2-OD1 3.23Å; Q3-D7 PolarHBondContact O-N 3.3Å
4E75.9Confident76.6Confident140 Ų14087.2 Ų87.265%0.65444%0.436SS*.Hα-helixtrans-63.6-42.9179.6-176.9171.4-160.700112.2D2 M6 D7 I8D2-E4 VanDerWaalsContact C-N 3.26Å; D2-E4 PolarHBondContact O-N 3.09Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 3.35Å; E4-D7 PolarHBondContact O-N 3.29Å; E4-I8 HydrophobicContact CG-CD1 4.35Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 2.95Å
5V77Confident76.6Confident7 Ų791.1 Ų91.14%0.04246%0.458CS..Hα-helixtrans-64.6-38.9176-178.10000110.6D2 I8 V9 E25 I28 I32D2-V5 HydrophobicContact CB-CG2 4.36Å; D2-V5 PolarHBondContact O-N 3.25Å; V5-I8 PolarHBondContact O-N 3.4Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.39Å; V5-V9 PolarHBondContact O-N 3.49Å; V5-E25 HydrophobicContact CG1-CG 4.27Å; V5-I28 HydrophobicContact CG1-CG2 4.25Å; V5-I32 HydrophobicContact CG2-CD1 4.46Å
6M81.8Confident76Confident69 Ų6989.3 Ų89.334%0.3447%0.468SS..Hα-helixtrans-64.6-41.9176.2-170.4178.4-57.600112.2M1 D2 Q3 E4 I8 V9 N10M1-M6 HydrophobicContact CB-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 4.36Å; D2-M6 PolarHBondContact O-N 3.47Å; D2-M6 VanDerWaalsContact O-N 3.11Å; Q3-M6 WeakPolarHBondContact O-CB 3.3Å; Q3-M6 PolarHBondContact O-N 3.35Å; E4-M6 VanDerWaalsContact C-N 3.3Å; E4-M6 PolarHBondContact O-N 3.35Å; M6-I8 VanDerWaalsContact C-N 3.34Å; M6-I8 PolarHBondContact O-N 3.32Å; M6-V9 PolarHBondContact O-N 3.17Å; M6-N10 WeakPolarHBondContact O-CB 3.39Å; M6-N10 PolarHBondContact O-N 2.97Å; M6-N10 PolarHBondContact O-ND2 3.37Å
7D81.1Confident75.3Confident73 Ų7384.8 Ų84.839%0.3945%0.449SS..Hα-helixtrans-62.4-42.7178.1-67.5-17.1000110.7Q3 E4 N10 I11Q3-D7 PolarHBondContact NE2-OD1 3.23Å; Q3-D7 PolarHBondContact O-N 3.3Å; E4-D7 PolarHBondContact O-N 3.29Å; D7-N10 PolarHBondContact O-N 3.4Å; D7-I11 VanDerWaalsContact O-CG1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 2.85Å
8I80.5Confident74.7Confident65 Ų6589.1 Ų89.133%0.33347%0.466SS..Hα-helixtrans-62.3-47.1176.1-65.6165.3000111.2E4 V5 M6 N10 I11 A12 I32E4-I8 HydrophobicContact CG-CD1 4.35Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 2.95Å; V5-I8 PolarHBondContact O-N 3.4Å; M6-I8 VanDerWaalsContact C-N 3.34Å; M6-I8 PolarHBondContact O-N 3.32Å; I8-N10 VanDerWaalsContact C-N 3.28Å; I8-N10 PolarHBondContact O-N 2.91Å; I8-I11 PolarHBondContact O-N 3.24Å; I8-A12 PolarHBondContact O-N 3.16Å; I8-I32 HydrophobicContact CD1-CG2 4.33Å
9V75.7Confident74.1Confident32 Ų3288 Ų8819%0.19448%0.479CS..Hα-helixtrans-60.6-38.8177.7170.50000111.3V5 M6 A12 K13 I28V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.39Å; V5-V9 PolarHBondContact O-N 3.49Å; M6-V9 PolarHBondContact O-N 3.17Å; V9-A12 PolarHBondContact O-N 3.38Å; V9-K13 HydrophobicContact CG1-CD 4.47Å; V9-K13 WeakPolarHBondContact O-CG 3.29Å; V9-K13 PolarHBondContact O-N 2.98Å; V9-K13 VanDerWaalsContact O-N 3.09Å; V9-I28 HydrophobicContact CG2-CD1 3.47Å; V9-I28 VanDerWaalsContact CG2-CD1 3.47Å
10N81.5Confident73.4Confident67 Ų6789.5 Ų89.536%0.35848%0.481SS..Hα-helixtrans-69.2-41178.4-71.4-25.7000112.3M6 D7 I8 A12 K13 E14M6-N10 WeakPolarHBondContact O-CB 3.39Å; M6-N10 PolarHBondContact O-N 2.97Å; M6-N10 PolarHBondContact O-ND2 3.37Å; D7-N10 PolarHBondContact O-N 3.4Å; I8-N10 VanDerWaalsContact C-N 3.28Å; I8-N10 PolarHBondContact O-N 2.91Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 3.42Å; N10-K13 WeakPolarHBondContact O-CB 3.41Å; N10-K13 PolarHBondContact O-N 3.34Å; N10-E14 PolarHBondContact O-N 3.01Å
11I80.8Confident73Confident92 Ų9289.1 Ų89.147%0.47248%0.482SS..Hα-helixtrans-61.2-44.6173.9-66.7164.2000110.2D7 I8 K13 E14 L15D7-I11 VanDerWaalsContact O-CG1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 2.85Å; I8-I11 PolarHBondContact O-N 3.24Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; I11-E14 PolarHBondContact O-N 2.93Å; I11-E14 VanDerWaalsContact O-N 3.16Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å
12A74.2Confident73.5Confident23 Ų2389.5 Ų89.519%0.1949%0.486CS..Hα-helixtrans-58.3-40177.100000111.8I8 V9 N10 L15 G17 F20I8-A12 PolarHBondContact O-N 3.16Å; V9-A12 PolarHBondContact O-N 3.38Å; N10-A12 VanDerWaalsContact C-N 3.33Å; N10-A12 PolarHBondContact O-N 3.42Å; A12-L15 PolarHBondContact O-N 3.36Å; A12-G17 WeakPolarHBondContact O-CA 3.47Å; A12-G17 PolarHBondContact O-N 2.96Å; A12-F20 HydrophobicContact CB-CD2 4.07Å
13K75.9Confident73.2Confident111 Ų11186.5 Ų86.548%0.48347%0.469SS..Hα-helixtrans-64-46.1173.4-72172179.2174.10112.6V9 N10 I11 L15 G16V9-K13 HydrophobicContact CG1-CD 4.47Å; V9-K13 WeakPolarHBondContact O-CG 3.29Å; V9-K13 PolarHBondContact O-N 2.98Å; V9-K13 VanDerWaalsContact O-N 3.09Å; N10-K13 WeakPolarHBondContact O-CB 3.41Å; N10-K13 PolarHBondContact O-N 3.34Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; K13-L15 PolarHBondContact O-N 2.99Å; K13-G16 PolarHBondContact O-N 3.47Å; K13-G16 VanDerWaalsContact O-N 3.09Å
14E75.5Confident72.8Confident171 Ų17185.2 Ų85.280%0.79947%0.465SS*.Hα-helixtrans-61.1-33.9177-74-173.517300112.6N10 I11 G16N10-E14 PolarHBondContact O-N 3.01Å; I11-E14 PolarHBondContact O-N 2.93Å; I11-E14 VanDerWaalsContact O-N 3.16Å; E14-G16 PolarHBondContact O-N 3.05Å
15L75.6Confident72.4Confident146 Ų14681.2 Ų81.276%0.76445%0.447SS*.THydrogen-bonded Turntrans-76.85.9177.2-66.6175.7000113.9I11 A12 K13 G17I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.35Å; I11-L15 PolarHBondContact O-N 3.4Å; A12-L15 PolarHBondContact O-N 3.36Å; K13-L15 PolarHBondContact O-N 2.99Å; L15-G17 VanDerWaalsContact C-N 3.3Å
16G68.1Low72.2Confident61 Ų6184.7 Ų84.763%0.62947%0.465SS*.THydrogen-bonded Turntrans77.616.7-17800000113.5K13 E14 E18K13-G16 PolarHBondContact O-N 3.47Å; K13-G16 VanDerWaalsContact O-N 3.09Å; E14-G16 PolarHBondContact O-N 3.05Å; G16-E18 PolarHBondContact O-N 3.2Å
17G63.4Low71.9Confident13 Ų1384.3 Ų84.313%0.13447%0.465CS..  trans-7947.9175.800000112.8A12 L15 G19 F20A12-G17 WeakPolarHBondContact O-CA 3.47Å; A12-G17 PolarHBondContact O-N 2.96Å; L15-G17 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 3Å; G17-G19 VanDerWaalsContact O-N 3.14Å; G17-F20 WeakPolarHBondContact O-CB 3.49Å; G17-F20 WeakPolarHBondContact O-CD2 3.27Å; G17-F20 PolarHBondContact O-N 3.16Å
18E64.9Low71.7Confident162 Ų16281.9 Ų81.976%0.75745%0.451SS*.G310 helixtrans-63.3-19.7-179-148.3144.2-152.300111.8G16 F20 T21G16-E18 PolarHBondContact O-N 3.2Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.44Å; E18-T21 PolarHBondContact O-OG1 3.39Å; E18-T21 VanDerWaalsContact O-OG1 3.11Å
19G63.1Low71.4Confident69 Ų6984.3 Ų84.371%0.71146%0.456SS*.G310 helixtrans-76.1-5.9171.400000115.7G17G17-G19 PolarHBondContact O-N 3Å; G17-G19 VanDerWaalsContact O-N 3.14Å
20F60.9Low71.5Confident118 Ų11889 Ų8952%0.51848%0.476SS..G310 helixtrans-88.2-4.6175.2-63.4-63.1000113.2A12 G17 E18 D22 M23A12-F20 HydrophobicContact CB-CD2 4.07Å; G17-F20 WeakPolarHBondContact O-CB 3.49Å; G17-F20 WeakPolarHBondContact O-CD2 3.27Å; G17-F20 PolarHBondContact O-N 3.16Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.44Å; F20-D22 PolarHBondContact O-N 3.44Å; F20-M23 HydrophobicContact CB-SD 4.47Å; F20-M23 HydrophobicContact CD1-CG 4.47Å; F20-M23 HydrophobicContact CD1-SD 3.46Å; F20-M23 WeakPolarHBondContact CD1-SD 3.45Å; F20-M23 HydrophobicContact CE1-SD 4.15Å; F20-M23 HydrophobicContact CG-SD 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.3Å; F20-M23 PolarHBondContact O-N 3.28Å
21T63.7Low71Confident82 Ų8293.9 Ų93.950%0.50349%0.489SS..THydrogen-bonded Turntrans-63.8-25178.554.10000113.4E18 M23E18-T21 PolarHBondContact O-OG1 3.39Å; E18-T21 VanDerWaalsContact O-OG1 3.11Å; T21-M23 VanDerWaalsContact C-N 3.29Å
22D68.8Low70.6Confident145 Ų14592.4 Ų92.478%0.77548%0.482SS*.THydrogen-bonded Turntrans-77.3-15.4176.6-69.4-5.4000112.4F20 I24F20-D22 PolarHBondContact O-N 3.44Å; D22-I24 PolarHBondContact O-N 3Å
23M69.4Low70.2Confident47 Ų4793.2 Ų93.223%0.23249%0.493CS..SBendtrans-72.3115.2174.5-67.9-175.760.300109.3F20 T21 D27 I28F20-M23 HydrophobicContact CB-SD 4.47Å; F20-M23 HydrophobicContact CD1-CG 4.47Å; F20-M23 HydrophobicContact CD1-SD 3.46Å; F20-M23 WeakPolarHBondContact CD1-SD 3.45Å; F20-M23 HydrophobicContact CE1-SD 4.15Å; F20-M23 HydrophobicContact CG-SD 4.4Å; F20-M23 WeakPolarHBondContact O-CB 3.3Å; F20-M23 PolarHBondContact O-N 3.28Å; T21-M23 VanDerWaalsContact C-N 3.29Å; M23-D27 HydrophobicContact CE-CB 4.09Å; M23-I28 HydrophobicContact CB-CG1 4.39Å; M23-I28 HydrophobicContact CE-CG1 4.07Å
24I70.3Confident69.6Low96 Ų9693.3 Ų93.349%0.49250%0.499SS..  trans-67.2154.9175.258171.9000110.4D22 D26 D27 I28D22-I24 PolarHBondContact O-N 3Å; I24-D26 HydrophobicContact CD1-CB 3.92Å; I24-D26 HydrophobicContact CG1-CB 4.15Å; I24-D26 PolarHBondContact O-N 3.35Å; I24-D27 HydrophobicContact CG1-CB 4.27Å; I24-D27 WeakPolarHBondContact CG1-OD1 3.23Å; I24-D27 PolarHBondContact O-N 3.16Å; I24-I28 PolarHBondContact O-N 2.87Å
25E69.1Low68.8Low56 Ų5688.7 Ų88.726%0.26248%0.484SS..Hα-helixtrans-48.4-32.8176.4173.3169.2-174.400112.4M1 V5 R29M1-E25 WeakPolarHBondContact CA-OE1 3.37Å; M1-E25 WeakPolarHBondContact CA-OE2 3.29Å; M1-E25 VanDerWaalsContact CG-OE2 3.27Å; M1-E25 WeakPolarHBondContact CG-OE2 3.45Å; M1-E25 VanDerWaalsContact N-CD 3.26Å; M1-E25 PolarHBondContact N-OE1 3.5Å; M1-E25 PolarHBondContact N-OE2 3.5Å; V5-E25 HydrophobicContact CG1-CG 4.27Å; E25-R29 WeakPolarHBondContact O-CB 3.36Å; E25-R29 PolarHBondContact O-N 2.86Å
26D72.4Confident68.1Low81 Ų8189.8 Ų89.843%0.43349%0.485SS..Hα-helixtrans-69.4-40179.4-63.6-16.8000113.2I24 I28 R29 E30I24-D26 HydrophobicContact CD1-CB 3.92Å; I24-D26 HydrophobicContact CG1-CB 4.15Å; I24-D26 PolarHBondContact O-N 3.35Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.24Å; D26-R29 VanDerWaalsContact CG-NH2 3.34Å; D26-R29 PolarHBondContact O-N 2.64Å; D26-R29 IonicContact OD1-CZ 3.15Å; D26-R29 IonicContact OD1-NH1 2.79Å; D26-R29 PolarHBondContact OD1-NH1 2.87Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.14Å; D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.29Å
27D75.8Confident67.7Low61 Ų6195.6 Ų95.633%0.32649%0.493SS..Hα-helixtrans-66.9-36.3179-67.7-3.2000111.3M23 I24 R31M23-D27 HydrophobicContact CE-CB 4.09Å; I24-D27 HydrophobicContact CG1-CB 4.27Å; I24-D27 WeakPolarHBondContact CG1-OD1 3.23Å; I24-D27 PolarHBondContact O-N 3.16Å; D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.46Å; D27-R31 PolarHBondContact O-N 3.27Å
28I75.4Confident67Low21 Ų21101.2 Ų101.211%0.10852%0.52CS..Hα-helixtrans-69.2-46.3175.3-60.5175.2000108.9V5 V9 M23 I24 D26 E30 R31 I32V5-I28 HydrophobicContact CG1-CG2 4.25Å; V9-I28 HydrophobicContact CG2-CD1 3.47Å; V9-I28 VanDerWaalsContact CG2-CD1 3.47Å; M23-I28 HydrophobicContact CB-CG1 4.39Å; M23-I28 HydrophobicContact CE-CG1 4.07Å; I24-I28 PolarHBondContact O-N 2.87Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.24Å; I28-E30 PolarHBondContact O-N 3.24Å; I28-R31 PolarHBondContact O-N 3.49Å; I28-I32 HydrophobicContact CG2-CG2 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.42Å; I28-I32 WeakPolarHBondContact O-CG2 3.27Å; I28-I32 PolarHBondContact O-N 3Å
29R74.7Confident66.2Low116 Ų11697.7 Ų97.744%0.43851%0.513SS..Hα-helixtrans-62.2-41.3-179.3-170.7174.363.8-109.8-4.7112.5E25 D26 I32 G33E25-R29 WeakPolarHBondContact O-CB 3.36Å; E25-R29 PolarHBondContact O-N 2.86Å; D26-R29 VanDerWaalsContact CG-NH2 3.34Å; D26-R29 PolarHBondContact O-N 2.64Å; D26-R29 IonicContact OD1-CZ 3.15Å; D26-R29 IonicContact OD1-NH1 2.79Å; D26-R29 PolarHBondContact OD1-NH1 2.87Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.14Å; R29-I32 WeakPolarHBondContact O-CG1 3.39Å; R29-G33 PolarHBondContact O-N 3.4Å
30E77.5Confident66Low131 Ų13198.6 Ų98.661%0.61251%0.505SS*.Hα-helixtrans-58.8-50.5174.5-176.2175.8-154.600110.6D26 I28 I32 G33 D34D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.29Å; I28-E30 PolarHBondContact O-N 3.24Å; E30-I32 PolarHBondContact O-N 3.32Å; E30-G33 PolarHBondContact O-N 2.77Å; E30-D34 PolarHBondContact O-N 2.9Å
31R71.9Confident65.9Low169 Ų16999.3 Ų99.364%0.63851%0.514SS*.Hα-helixtrans-68-36.4-177.1-69.5177.5-177-1372.9114.1D27 I28D27-R31 VanDerWaalsContact O-CG 3.27Å; D27-R31 WeakPolarHBondContact O-CG 3.46Å; D27-R31 PolarHBondContact O-N 3.27Å; I28-R31 PolarHBondContact O-N 3.49Å
32I71.8Confident66.1Low61 Ų61101.4 Ų101.431%0.31352%0.516SS..Hα-helixtrans-74.6-31.8175.966-176.2000111.8V5 I8 I28 R29 E30 D34 C35 E36V5-I32 HydrophobicContact CG2-CD1 4.46Å; I8-I32 HydrophobicContact CD1-CG2 4.33Å; I28-I32 HydrophobicContact CG2-CG2 4.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.42Å; I28-I32 WeakPolarHBondContact O-CG2 3.27Å; I28-I32 PolarHBondContact O-N 3Å; R29-I32 WeakPolarHBondContact O-CG1 3.39Å; E30-I32 PolarHBondContact O-N 3.32Å; I32-D34 PolarHBondContact O-N 3.46Å; I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 3.13Å; I32-E36 PolarHBondContact O-N 3Å
33G66.4Low65.8Low41 Ų41100 Ų10042%0.42351%0.505SS..Hα-helixtrans-60.1-37.6175.900000111.8R29 E30 C35 E36R29-G33 PolarHBondContact O-N 3.4Å; E30-G33 PolarHBondContact O-N 2.77Å; G33-C35 VanDerWaalsContact C-N 3.28Å; G33-C35 PolarHBondContact O-N 3.14Å; G33-E36 PolarHBondContact O-N 3.49Å
34D62.7Low65.3Low113 Ų113100.9 Ų100.960%0.60451%0.51SS*.Hα-helixtrans-67.1-27.8174.8-68.5-24.9000113E30 I32E30-D34 PolarHBondContact O-N 2.9Å; I32-D34 PolarHBondContact O-N 3.46Å
35C58.8Low65.2Low74 Ų74102.2 Ų102.250%0.551%0.514SS..Hα-helixtrans-72.6-27.9179.4-72.50000113.5I32 G33 K37 L38I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 3.13Å; G33-C35 VanDerWaalsContact C-N 3.28Å; G33-C35 PolarHBondContact O-N 3.14Å; C35-K37 PolarHBondContact O-N 3.46Å; C35-K37 VanDerWaalsContact O-N 3.11Å; C35-L38 PolarHBondContact O-N 3.13Å
36E60Low65Low168 Ų168104.9 Ų104.979%0.78553%0.527SS*.G310 helixtrans-60.5-25-179.8-164.6175.6-167.300111.5I32 G33I32-E36 PolarHBondContact O-N 3Å; G33-E36 PolarHBondContact O-N 3.49Å
37K59.7Low64.3Low183 Ų183105.1 Ų105.180%0.79653%0.526SS*.G310 helixtrans-82.8-18.3178.4-159175.3179.9-171.80114.4C35C35-K37 PolarHBondContact O-N 3.46Å; C35-K37 VanDerWaalsContact O-N 3.11Å
38L50.4Low63.8Low132 Ų132107.8 Ų107.869%0.69154%0.538SS*.G310 helixtrans-87.5-3.1-172.7-80.8166.5000114.6C35C35-L38 PolarHBondContact O-N 3.13Å
39S47.3Very low63.3Low88 Ų88114 Ų11462%0.61557%0.567SS**  trans-105.546-176.440.40000113.3D41S39-D41 PolarHBondContact O-N 3.29Å; S39-D41 VanDerWaalsContact O-N 3.14Å
40T58Low62.4Low87 Ų87111.5 Ų111.553%0.53457%0.567SS.*  trans-75.5101.9164.6-28.90000108K42 E43T40-K42 HydrophobicContact CG2-CB 4.37Å; T40-K42 PolarHBondContact O-N 3.43Å; T40-E43 PolarHBondContact O-N 3.49Å
41D60.2Low61.4Low133 Ų133111.4 Ų111.471%0.71158%0.578SS**Hα-helixtrans-46.4-27.6179.8-71.3-27.3000113.8S39 E43 L44 E45S39-D41 PolarHBondContact O-N 3.29Å; S39-D41 VanDerWaalsContact O-N 3.14Å; D41-E43 PolarHBondContact O-N 3.09Å; D41-L44 PolarHBondContact O-N 2.97Å; D41-E45 PolarHBondContact O-N 3.45Å
42K66.8Low60.4Low127 Ų127112.9 Ų112.955%0.55259%0.589SS**Hα-helixtrans-60.1-39.6176.3-179.3171165.859.20113.6T40 L44 E45 E46T40-K42 HydrophobicContact CG2-CB 4.37Å; T40-K42 PolarHBondContact O-N 3.43Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-E45 PolarHBondContact O-N 3.29Å; K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 WeakPolarHBondContact O-CB 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.21Å
43E64.1Low59.1Low114 Ų114112.8 Ų112.853%0.53360%0.603SS.*Hα-helixtrans-68.4-35.4178.2-156.8-175.4156.100110.4T40 D41 M47T40-E43 PolarHBondContact O-N 3.49Å; D41-E43 PolarHBondContact O-N 3.09Å; E43-M47 WeakPolarHBondContact O-CG 3.44Å; E43-M47 PolarHBondContact O-N 2.91Å; E43-M47 VanDerWaalsContact O-N 3.09Å
44L58.5Low58Low67 Ų67116.5 Ų116.535%0.35162%0.621SS.*Hα-helixtrans-71.2-42.1176.1-149.9163000111.5D41 K42 M47 M48D41-L44 PolarHBondContact O-N 2.97Å; K42-L44 VanDerWaalsContact C-N 3.29Å; L44-M47 HydrophobicContact CB-CE 4.45Å; L44-M47 HydrophobicContact CG-CE 4.34Å; L44-M47 PolarHBondContact O-N 3.29Å; L44-M48 HydrophobicContact CD2-CE 3.3Å; L44-M48 HydrophobicContact CD2-CG 4.28Å; L44-M48 WeakPolarHBondContact O-CG 3.3Å; L44-M48 PolarHBondContact O-N 3.35Å
45E67.5Low57.7Low124 Ų124118.6 Ų118.658%0.57963%0.632SS**Hα-helixtrans-62.4-42.4174.8-173.5174.8-163.400112D41 K42 M47 M48 Q49D41-E45 PolarHBondContact O-N 3.45Å; K42-E45 PolarHBondContact O-N 3.29Å; E45-M47 VanDerWaalsContact C-N 3.35Å; E45-M47 PolarHBondContact O-N 2.95Å; E45-M48 WeakPolarHBondContact O-CB 3.44Å; E45-M48 PolarHBondContact O-N 2.92Å; E45-M48 VanDerWaalsContact O-N 3.13Å; E45-Q49 PolarHBondContact O-N 3.11Å; E45-Q49 VanDerWaalsContact O-N 3.14Å
46E66Low57.3Low111 Ų111121.8 Ų121.852%0.51965%0.645SS.*Hα-helixtrans-63.5-38.5175-77.3177-170.300111.5K42 M48 Q49K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 WeakPolarHBondContact O-CB 3.32Å; K42-E46 WeakPolarHBondContact O-CG 3.44Å; K42-E46 PolarHBondContact O-N 3.21Å; E46-M48 VanDerWaalsContact C-N 3.34Å; E46-M48 PolarHBondContact O-N 3.04Å; E46-Q49 CarbonylContact O-C 3.45Å; E46-Q49 WeakPolarHBondContact O-CA 3.08Å; E46-Q49 WeakPolarHBondContact O-CB 3.27Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.13Å
47M56.9Low56.9Low87 Ų87120.2 Ų120.243%0.42964%0.642SS.*Hα-helixtrans-65.9-31.7171.5-75.6-171.1-71.600113.8E43 L44 E45 Q49 I87E43-M47 WeakPolarHBondContact O-CG 3.44Å; E43-M47 PolarHBondContact O-N 2.91Å; E43-M47 VanDerWaalsContact O-N 3.09Å; L44-M47 HydrophobicContact CB-CE 4.45Å; L44-M47 HydrophobicContact CG-CE 4.34Å; L44-M47 PolarHBondContact O-N 3.29Å; E45-M47 VanDerWaalsContact C-N 3.35Å; E45-M47 PolarHBondContact O-N 2.95Å; M47-Q49 PolarHBondContact O-N 3.44Å; M47-I87 HydrophobicContact CE-CD1 4.33Å
48M65.2Low56.7Low117 Ų117119.6 Ų119.658%0.57665%0.647SS**Hα-helixtrans-67-28.8173.1-65.2-160.9-16400111.5L44 E45 E46 S50 M91L44-M48 HydrophobicContact CD2-CE 3.3Å; L44-M48 HydrophobicContact CD2-CG 4.28Å; L44-M48 WeakPolarHBondContact O-CG 3.3Å; L44-M48 PolarHBondContact O-N 3.35Å; E45-M48 WeakPolarHBondContact O-CB 3.44Å; E45-M48 PolarHBondContact O-N 2.92Å; E45-M48 VanDerWaalsContact O-N 3.13Å; E46-M48 VanDerWaalsContact C-N 3.34Å; E46-M48 PolarHBondContact O-N 3.04Å; M48-S50 PolarHBondContact O-N 3.11Å; M48-M91 HydrophobicContact CE-SD 3.91Å
49Q65.3Low56.8Low150 Ų150119.4 Ų119.470%0.70165%0.646SS**SBendtrans-76.270.3165.6-55.9-148.7-3.900108.9E45 E46 M47E45-Q49 PolarHBondContact O-N 3.11Å; E45-Q49 VanDerWaalsContact O-N 3.14Å; E46-Q49 CarbonylContact O-C 3.45Å; E46-Q49 WeakPolarHBondContact O-CA 3.08Å; E46-Q49 WeakPolarHBondContact O-CB 3.27Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.13Å; M47-Q49 PolarHBondContact O-N 3.44Å
50S55Low57.3Low65 Ų65122.2 Ų122.246%0.45566%0.66SS.*  trans-46.2137.5161.2-56.50000107.9M48 K52M48-S50 PolarHBondContact O-N 3.11Å; S50-K52 PolarHBondContact O-N 3.45Å
51P56Low56.9Low129 Ų129125.3 Ų125.384%0.83867%0.67SS**  trans-51109.9176.7-22.330.7000106.7G53P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.46Å
52K52Low56.5Low200 Ų200126.3 Ų126.387%0.8767%0.67SS**  trans-61.9105.6170.5-164177.5179.973.40102.2S50 C54S50-K52 PolarHBondContact O-N 3.45Å; K52-C54 PolarHBondContact O-N 2.76Å; K52-C54 VanDerWaalsContact O-N 3.16Å
53G45.2Very low56Low59 Ų59127.4 Ų127.461%0.60868%0.682SS**  trans-45127.9-178.500000107.8P51 D55P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.46Å; G53-D55 PolarHBondContact O-N 2.93Å
54C42.4Very low55.8Low118 Ų118126.5 Ų126.580%0.79769%0.685SS**  trans-65.978170490000107.8K52 D56K52-C54 PolarHBondContact O-N 2.76Å; K52-C54 VanDerWaalsContact O-N 3.16Å; C54-D56 PolarHBondContact O-N 2.77Å
55D56.4Low55.5Low157 Ų157125.4 Ų125.484%0.8469%0.689SS**  trans-79.670.7152.8-84.4-15.6000106G53G53-D55 PolarHBondContact O-N 2.93Å
56D50.8Low55.1Low142 Ų142122 Ų12276%0.75968%0.683SS**  trans-131.885163.9-86.5-36.7000106.7C54C54-D56 PolarHBondContact O-N 2.77Å
57D50.8Low55Low135 Ų135120.2 Ų120.272%0.72268%0.682SS**  trans44.7105.6138.8-59.8-33.2000120D59D57-D59 VanDerWaalsContact C-N 3.27Å; D57-D59 PolarHBondContact O-N 3.2Å
58D56Low55.4Low170 Ų170117.6 Ų117.691%0.90968%0.678SS**  37.830.9125.5-84.9-13.4000120.7
59D51.6Low55.8Low127 Ų127117 Ų11768%0.67968%0.677SS**  trans-77.2124.2153.1-81.8-34.3000108.3D57 M61D57-D59 VanDerWaalsContact C-N 3.27Å; D57-D59 PolarHBondContact O-N 3.2Å; D59-M61 HydrophobicContact CB-CE 4.12Å; D59-M61 WeakPolarHBondContact O-CG 3.47Å; D59-M61 PolarHBondContact O-N 2.77Å
60V58Low56.2Low147 Ų147116.1 Ų116.189%0.89167%0.674SS**  trans-56.386.3172.4172.30000108.5
61M50.5Low57.2Low153 Ų153118.1 Ų118.175%0.75468%0.68SS**  trans-79.2125.3168.4-59.3-57.3-171.600106.5D59D59-M61 HydrophobicContact CB-CE 4.12Å; D59-M61 WeakPolarHBondContact O-CG 3.47Å; D59-M61 PolarHBondContact O-N 2.77Å
62E52.5Low58Low153 Ų153117.8 Ų117.872%0.71567%0.668SS**  trans-41.7142.5168.2-165.7172.7-178.700110.1T64 G65E62-T64 HydrophobicContact CG-CG2 4.4Å; E62-T64 PolarHBondContact O-N 2.86Å; E62-T64 PolarHBondContact O-OG1 2.97Å; E62-G65 PolarHBondContact O-N 3.16Å
63D56.3Low58.9Low150 Ų150114 Ų11480%0.80266%0.656SS**THydrogen-bonded Turntrans-55.613.3-177.2-168.935.6000115.2
64T60Low60.4Low96 Ų96115.2 Ų115.259%0.58966%0.66SS**THydrogen-bonded Turntrans-79.7-15.8173.4490000113.6E62 S67E62-T64 HydrophobicContact CG-CG2 4.4Å; E62-T64 PolarHBondContact O-N 2.86Å; E62-T64 PolarHBondContact O-OG1 2.97Å; T64-S67 PolarHBondContact O-OG 3.41Å
65G51.6Low62Low43 Ų43117.7 Ų117.744%0.44366%0.66SS.*Hα-helixtrans-74.4-32.717900000114.6E62 G68 L69E62-G65 PolarHBondContact O-N 3.16Å; G65-G68 PolarHBondContact O-N 3.37Å; G65-L69 PolarHBondContact O-N 2.93Å
66A59Low62.9Low53 Ų53114.4 Ų114.444%0.43864%0.637SS.*Hα-helixtrans-69.6-34.9-175.100000112.9M70A66-M70 VanDerWaalsContact O-CG 3.26Å; A66-M70 WeakPolarHBondContact O-CG 3.34Å; A66-M70 PolarHBondContact O-N 3.47Å
67S62.8Low64.1Low73 Ų73112.1 Ų112.151%0.5163%0.625SS.*Hα-helixtrans-68.5-38.3176.959.60000112.1T64 M70 D71T64-S67 PolarHBondContact O-OG 3.41Å; S67-M70 PolarHBondContact O-N 3.34Å; S67-D71 PolarHBondContact O-N 3.23Å
68G67Low65.4Low33 Ų33109.8 Ų109.834%0.3462%0.617SS.*Hα-helixtrans-66.9-39179.800000113.4G65 D71 M72G65-G68 PolarHBondContact O-N 3.37Å; G68-D71 PolarHBondContact O-N 3.16Å; G68-M72 WeakPolarHBondContact O-CG 3.27Å; G68-M72 PolarHBondContact O-N 3.1Å; G68-M72 VanDerWaalsContact O-N 3.14Å
69L72.9Confident66.3Low105 Ų105105.3 Ų105.355%0.5560%0.599SS.*Hα-helixtrans-66.3-39.4175.3-67.5-179.5000112G65 M72 I73G65-L69 PolarHBondContact O-N 2.93Å; L69-M72 HydrophobicContact CD2-CE 3.44Å; L69-M72 VanDerWaalsContact CD2-CE 3.44Å; L69-M72 HydrophobicContact CG-CE 4.48Å; L69-M72 PolarHBondContact O-N 3.42Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.95Å
70M74.1Confident67.6Low131 Ų131104.4 Ų104.465%0.64559%0.592SS**Hα-helixtrans-65.9-40.1178.3-68.2-66.317600111.8A66 S67 M72 I73 A74A66-M70 VanDerWaalsContact O-CG 3.26Å; A66-M70 WeakPolarHBondContact O-CG 3.34Å; A66-M70 PolarHBondContact O-N 3.47Å; S67-M70 PolarHBondContact O-N 3.34Å; M70-M72 VanDerWaalsContact C-N 3.35Å; M70-I73 PolarHBondContact O-N 2.96Å; M70-A74 WeakPolarHBondContact O-CB 3.43Å; M70-A74 PolarHBondContact O-N 3.16Å
71D75.3Confident68.6Low107 Ų107102.7 Ų102.757%0.57257%0.574SS**Hα-helixtrans-61.9-42.4174.5-75-11.1000111.2S67 G68 I73 A74 E75S67-D71 PolarHBondContact O-N 3.23Å; G68-D71 PolarHBondContact O-N 3.16Å; D71-I73 PolarHBondContact O-N 3.46Å; D71-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.33Å; D71-E75 PolarHBondContact O-N 3.29Å; D71-E75 VanDerWaalsContact O-N 3.1Å
72M72.1Confident70Confident121 Ų121101.7 Ų101.760%0.59657%0.567SS**Hα-helixtrans-65.6-35.5175.8-72.2-170.4-63.800113.5G68 L69 M70 A74 Y76G68-M72 WeakPolarHBondContact O-CG 3.27Å; G68-M72 PolarHBondContact O-N 3.1Å; G68-M72 VanDerWaalsContact O-N 3.14Å; L69-M72 HydrophobicContact CD2-CE 3.44Å; L69-M72 VanDerWaalsContact CD2-CE 3.44Å; L69-M72 HydrophobicContact CG-CE 4.48Å; L69-M72 PolarHBondContact O-N 3.42Å; M70-M72 VanDerWaalsContact C-N 3.35Å; M72-A74 VanDerWaalsContact C-N 3.32Å; M72-Y76 PolarHBondContact O-N 2.99Å
73I72.4Confident71.2Confident121 Ų12196 Ų9662%0.62155%0.549SS*.Hα-helixtrans-68.9-34174.1-67.1165.7000110.5L69 M70 D71 Y76L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.95Å; M70-I73 PolarHBondContact O-N 2.96Å; D71-I73 PolarHBondContact O-N 3.46Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.33Å; I73-Y76 PolarHBondContact O-N 3.49Å
74A75.1Confident72.3Confident84 Ų8491.3 Ų91.369%0.69452%0.523SS*.Hα-helixtrans-70-34178.900000113M70 D71 M72 Y76M70-A74 WeakPolarHBondContact O-CB 3.43Å; M70-A74 PolarHBondContact O-N 3.16Å; D71-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.33Å; M72-A74 VanDerWaalsContact C-N 3.32Å; A74-Y76 VanDerWaalsContact C-N 3.31Å
75E78Confident73.4Confident170 Ų17092.2 Ų92.279%0.79452%0.523SS*.SBendtrans-82.3-7.6175.5-67.9-175.6-170.300113.6D71 D77D71-E75 PolarHBondContact O-N 3.29Å; D71-E75 VanDerWaalsContact O-N 3.1Å; E75-D77 PolarHBondContact O-N 2.97Å
76Y75.1Confident74.7Confident89 Ų8994.2 Ų94.235%0.34953%0.526SS..  trans-65.3122.9-178.4-173.2-104.9000111.8M72 I73 A74 P78 M80 E81M72-Y76 PolarHBondContact O-N 2.99Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.33Å; I73-Y76 PolarHBondContact O-N 3.49Å; A74-Y76 VanDerWaalsContact C-N 3.31Å; Y76-P78 WeakPolarHBondContact O-CD 3.43Å; Y76-M80 HydrophobicContact CE2-CB 4.48Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; Y76-E81 HydrophobicContact CE1-CG 3.73Å; Y76-E81 WeakPolarHBondContact OH-CG 3.38Å
77D75.9Confident75.7Confident94 Ų9494.5 Ų94.550%0.50352%0.52SS..  trans-89114.1174.8-176-4.2000110.7E75 S79 M80E75-D77 PolarHBondContact O-N 2.97Å; D77-S79 VanDerWaalsContact CG-CB 3.47Å; D77-S79 PolarHBondContact O-N 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.34Å; D77-S79 PolarHBondContact OD1-N 3.09Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; D77-M80 WeakPolarHBondContact O-CB 3.46Å; D77-M80 PolarHBondContact O-N 3.04Å
78P77.5Confident76.5Confident85 Ų8598.4 Ų98.455%0.55252%0.523SS*.THydrogen-bonded Turntrans-57.8-20.6175.9-2435000114.3Y76 M80 E81 H82Y76-P78 WeakPolarHBondContact O-CD 3.43Å; P78-M80 PolarHBondContact O-N 3.37Å; P78-E81 WeakPolarHBondContact O-CB 3.33Å; P78-E81 PolarHBondContact O-N 3.31Å; P78-E81 VanDerWaalsContact O-N 3.08Å; P78-H82 PolarHBondContact O-N 2.97Å
79S75.7Confident77.2Confident76 Ų76106.9 Ų106.953%0.53155%0.545SS..Hα-helixtrans-55.1-32.6171.2-171.90000111.7D77 H82 G83D77-S79 VanDerWaalsContact CG-CB 3.47Å; D77-S79 PolarHBondContact O-N 3.22Å; D77-S79 WeakPolarHBondContact OD1-CB 3.34Å; D77-S79 PolarHBondContact OD1-N 3.09Å; D77-S79 WeakPolarHBondContact OD2-CB 3.37Å; S79-H82 WeakPolarHBondContact O-CB 3.33Å; S79-H82 PolarHBondContact O-N 3.01Å; S79-G83 PolarHBondContact O-N 3.47Å
80M77.6Confident77.7Confident108 Ų108106.1 Ų106.153%0.53254%0.54SS..Hα-helixtrans-63.6-41176.5-164.5-178.3-63.500111.9Y76 D77 P78 H82 G83 I84Y76-M80 HydrophobicContact CE2-CB 4.48Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; D77-M80 WeakPolarHBondContact O-CB 3.46Å; D77-M80 PolarHBondContact O-N 3.04Å; P78-M80 PolarHBondContact O-N 3.37Å; M80-H82 VanDerWaalsContact C-N 3.32Å; M80-H82 PolarHBondContact O-N 3.41Å; M80-G83 PolarHBondContact O-N 3.04Å; M80-I84 HydrophobicContact CG-CD1 4.09Å; M80-I84 WeakPolarHBondContact O-CB 3.25Å; M80-I84 VanDerWaalsContact O-CG1 3.25Å; M80-I84 WeakPolarHBondContact O-CG1 3.48Å; M80-I84 PolarHBondContact O-N 3.37Å
81E78.7Confident78.2Confident112 Ų112104 Ų10452%0.52353%0.53SS..Hα-helixtrans-62.5-42.7174-63.6-169.8168.300111.4Y76 P78 I84 M85Y76-E81 HydrophobicContact CE1-CG 3.73Å; Y76-E81 WeakPolarHBondContact OH-CG 3.38Å; P78-E81 WeakPolarHBondContact O-CB 3.33Å; P78-E81 PolarHBondContact O-N 3.31Å; P78-E81 VanDerWaalsContact O-N 3.08Å; E81-I84 PolarHBondContact O-N 3.29Å; E81-M85 VanDerWaalsContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CB 3.25Å; E81-M85 PolarHBondContact O-N 3.47Å
82H79.5Confident78.4Confident132 Ų132102.1 Ų102.161%0.61153%0.529SS*.Hα-helixtrans-61.8-45.2176.9-109.5-148.5000111.2P78 S79 M80 M85 V86P78-H82 PolarHBondContact O-N 2.97Å; S79-H82 WeakPolarHBondContact O-CB 3.33Å; S79-H82 PolarHBondContact O-N 3.01Å; M80-H82 VanDerWaalsContact C-N 3.32Å; M80-H82 PolarHBondContact O-N 3.41Å; H82-M85 PolarHBondContact O-N 2.85Å; H82-V86 WeakPolarHBondContact O-CB 3.23Å; H82-V86 VanDerWaalsContact O-CG2 3.25Å; H82-V86 WeakPolarHBondContact O-CG2 3.48Å; H82-V86 PolarHBondContact O-N 3.01Å
83G78.4Confident78.8Confident32 Ų32100.1 Ų100.133%0.3353%0.526SS..Hα-helixtrans-57.9-51.1174.700000112S79 M80 M85 V86 I87S79-G83 PolarHBondContact O-N 3.47Å; M80-G83 PolarHBondContact O-N 3.04Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.26Å; G83-V86 PolarHBondContact O-N 3.25Å; G83-I87 VanDerWaalsContact O-CG1 3.27Å; G83-I87 WeakPolarHBondContact O-CG1 3.37Å; G83-I87 PolarHBondContact O-N 3.01Å
84I80.5Confident79.2Confident52 Ų5299.3 Ų99.327%0.26752%0.522SS..Hα-helixtrans-60.8-42.4178.2-67.3166000111.1M80 E81 I87 R88M80-I84 HydrophobicContact CG-CD1 4.09Å; M80-I84 WeakPolarHBondContact O-CB 3.25Å; M80-I84 VanDerWaalsContact O-CG1 3.25Å; M80-I84 WeakPolarHBondContact O-CG1 3.48Å; M80-I84 PolarHBondContact O-N 3.37Å; E81-I84 PolarHBondContact O-N 3.29Å; I84-I87 PolarHBondContact O-N 2.95Å; I84-R88 HydrophobicContact CG2-CG 4.47Å; I84-R88 WeakPolarHBondContact O-CB 3.44Å; I84-R88 WeakPolarHBondContact O-CG 3.38Å; I84-R88 PolarHBondContact O-N 2.92Å
85M82.5Confident79.7Confident116 Ų116102.1 Ų102.157%0.57152%0.518SS*.Hα-helixtrans-63.8-44.9179.1-173.9-173.8-58.100111.7E81 H82 G83 R88 R89E81-M85 VanDerWaalsContact O-CB 3.23Å; E81-M85 WeakPolarHBondContact O-CB 3.25Å; E81-M85 PolarHBondContact O-N 3.47Å; H82-M85 PolarHBondContact O-N 2.85Å; G83-M85 VanDerWaalsContact C-N 3.33Å; G83-M85 PolarHBondContact O-N 3.26Å; M85-R88 PolarHBondContact O-N 2.82Å; M85-R89 WeakPolarHBondContact O-CB 3.49Å; M85-R89 PolarHBondContact O-N 3.33Å
86V78.7Confident80.2Confident85 Ų8599.3 Ų99.352%0.51551%0.508SS..Hα-helixtrans-61.1-46.5177170.70000110.2H82 G83 R88 R89 I90H82-V86 WeakPolarHBondContact O-CB 3.23Å; H82-V86 VanDerWaalsContact O-CG2 3.25Å; H82-V86 WeakPolarHBondContact O-CG2 3.48Å; H82-V86 PolarHBondContact O-N 3.01Å; G83-V86 PolarHBondContact O-N 3.25Å; V86-R88 PolarHBondContact O-N 3.4Å; V86-R89 WeakPolarHBondContact O-CB 3.27Å; V86-R89 PolarHBondContact O-N 3.4Å; V86-R89 VanDerWaalsContact O-N 3.16Å; V86-I90 PolarHBondContact O-N 3.09Å; V86-I90 VanDerWaalsContact O-N 3.1Å
87I80Confident80.5Confident59 Ų59100.4 Ų100.430%0.30352%0.519SS..Hα-helixtrans-58.9-48.2177.3-67.9166.1000110.8M47 G83 I84 R89 I90 M91M47-I87 HydrophobicContact CE-CD1 4.33Å; G83-I87 VanDerWaalsContact O-CG1 3.27Å; G83-I87 WeakPolarHBondContact O-CG1 3.37Å; G83-I87 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 2.95Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.67Å; I87-I90 VanDerWaalsContact O-CG1 3.23Å; I87-I90 WeakPolarHBondContact O-CG1 3.2Å; I87-I90 PolarHBondContact O-N 2.79Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 PolarHBondContact O-N 3.31Å
88R80.2Confident81Confident154 Ų154101.9 Ų101.958%0.58152%0.523SS*.Hα-helixtrans-59.7-38177.4-74.8176.4177.9170.81.1112.2I84 M85 V86I84-R88 HydrophobicContact CG2-CG 4.47Å; I84-R88 WeakPolarHBondContact O-CB 3.44Å; I84-R88 WeakPolarHBondContact O-CG 3.38Å; I84-R88 PolarHBondContact O-N 2.92Å; M85-R88 PolarHBondContact O-N 2.82Å; V86-R88 PolarHBondContact O-N 3.4Å
89R81.3Confident81.4Confident211 Ų211101.6 Ų101.680%0.79652%0.517SS*.Hα-helixtrans-66.9-38.9179.5-173.8176.3179178.6-0.6112.6M85 V86 I87 P93M85-R89 WeakPolarHBondContact O-CB 3.49Å; M85-R89 PolarHBondContact O-N 3.33Å; V86-R89 WeakPolarHBondContact O-CB 3.27Å; V86-R89 PolarHBondContact O-N 3.4Å; V86-R89 VanDerWaalsContact O-N 3.16Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 2.67Å; R89-P93 VanDerWaalsContact O-CD 3.3Å; R89-P93 WeakPolarHBondContact O-CD 2.97Å
90I83.1Confident82Confident90 Ų90102.4 Ų102.446%0.46252%0.515SS..Hα-helixtrans-83-23.4-18064.6174.7000113.1V86 I87 A92 P93 L94V86-I90 PolarHBondContact O-N 3.09Å; V86-I90 VanDerWaalsContact O-N 3.1Å; I87-I90 VanDerWaalsContact O-CG1 3.23Å; I87-I90 WeakPolarHBondContact O-CG1 3.2Å; I87-I90 PolarHBondContact O-N 2.79Å; I90-A92 PolarHBondContact O-N 2.68Å; I90-P93 VanDerWaalsContact O-CD 3.27Å; I90-P93 WeakPolarHBondContact O-CD 3.49Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.85Å; I90-L94 VanDerWaalsContact O-N 3.16Å
91M84.5Confident82.3Confident85 Ų85104.1 Ų104.142%0.41952%0.52SS..Hα-helixtrans-63.1-37.7-177.5-175.4172.760.400113.4M48 I87 L94 K95M48-M91 HydrophobicContact CE-SD 3.91Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 PolarHBondContact O-N 3.31Å; M91-L94 PolarHBondContact O-N 2.85Å; M91-K95 PolarHBondContact O-N 2.96Å
92A79.3Confident82.6Confident68 Ų68102.6 Ų102.656%0.56252%0.515SS*.Hα-helixtrans-64.5-48.7178.800000113I90 L94 K95 L96I90-A92 PolarHBondContact O-N 2.68Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.48Å; A92-K95 PolarHBondContact O-N 2.93Å; A92-L96 PolarHBondContact O-N 3.33Å
93P81.1Confident83Confident80 Ų80101.2 Ų101.252%0.51951%0.509SS..Hα-helixtrans-56.3-41.2169.6-27.131.9000114.4R89 I90 K95 L96 L97R89-P93 VanDerWaalsContact O-CD 3.3Å; R89-P93 WeakPolarHBondContact O-CD 2.97Å; I90-P93 VanDerWaalsContact O-CD 3.27Å; I90-P93 WeakPolarHBondContact O-CD 3.49Å; P93-K95 PolarHBondContact O-N 3.14Å; P93-L96 WeakPolarHBondContact O-CB 3.2Å; P93-L96 PolarHBondContact O-N 3.25Å; P93-L97 PolarHBondContact O-N 3.45Å
94L81.2Confident83.1Confident104 Ų104102 Ų10255%0.54551%0.512SS..Hα-helixtrans-64-41.9179.9-73.5173.1000112I90 M91 A92 L96 L97 Q98I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.85Å; I90-L94 VanDerWaalsContact O-N 3.16Å; M91-L94 PolarHBondContact O-N 2.85Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.48Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.29Å; L94-L97 WeakPolarHBondContact O-CB 3.3Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-L97 VanDerWaalsContact O-N 3.16Å; L94-Q98 PolarHBondContact O-N 2.99Å
95K85.4Confident83.2Confident143 Ų143104.3 Ų104.362%0.62252%0.52SS*.Hα-helixtrans-61.7-41175.8-167.2164.1-173.8165.10112M91 A92 P93 L97 Q98 D99M91-K95 PolarHBondContact O-N 2.96Å; A92-K95 PolarHBondContact O-N 2.93Å; P93-K95 PolarHBondContact O-N 3.14Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.05Å; K95-Q98 PolarHBondContact O-N 3.42Å; K95-D99 PolarHBondContact O-N 2.91Å
96L87.2Confident83.3Confident110 Ų110105.9 Ų105.958%0.57652%0.524SS*.Hα-helixtrans-62.5-40.2174.3-177.767000112.2A92 P93 L94 D99 L100A92-L96 PolarHBondContact O-N 3.33Å; P93-L96 WeakPolarHBondContact O-CB 3.2Å; P93-L96 PolarHBondContact O-N 3.25Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.29Å; L96-D99 PolarHBondContact O-N 3.05Å; L96-L100 HydrophobicContact CG-CD1 4.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.87Å
97L82.8Confident83.2Confident112 Ų112110 Ų11059%0.58653%0.53SS*.Hα-helixtrans-65.7-40.4178.2-172.961.9000111.8P93 L94 K95 L100 F101P93-L97 PolarHBondContact O-N 3.45Å; L94-L97 WeakPolarHBondContact O-CB 3.3Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-L97 VanDerWaalsContact O-N 3.16Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-F101 PolarHBondContact O-N 3.23Å
98Q85.3Confident82.7Confident125 Ų125114.9 Ų114.958%0.58455%0.549SS*.Hα-helixtrans-61.6-46.1174.4-173.2175-4.500111.5L94 K95 L100 F101 D102L94-Q98 PolarHBondContact O-N 2.99Å; K95-Q98 PolarHBondContact O-N 3.42Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; Q98-F101 PolarHBondContact O-N 3.08Å; Q98-F101 VanDerWaalsContact O-N 3.16Å; Q98-D102 PolarHBondContact O-N 3.22Å
99D87.2Confident82.2Confident79 Ų79116.4 Ų116.442%0.42256%0.555SS.*Hα-helixtrans-61.1-39.1176.8-74-19.1000112.3K95 L96 Q103K95-D99 PolarHBondContact O-N 2.91Å; L96-D99 PolarHBondContact O-N 3.05Å; D99-Q103 WeakPolarHBondContact O-CB 3.08Å; D99-Q103 VanDerWaalsContact O-CG 3.29Å; D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.99Å
100L86.9Confident81.2Confident94 Ų94113.2 Ų113.249%0.49255%0.549SS..Hα-helixtrans-64.3-42.7174.9-76.2167.5000111.7L96 L97 Q98 Q103 A104L96-L100 HydrophobicContact CG-CD1 4.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.87Å; L97-L100 PolarHBondContact O-N 3.26Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; L100-Q103 PolarHBondContact O-N 3.45Å; L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 3.24Å
101F84.6Confident79.8Confident143 Ų143114.8 Ų114.863%0.62756%0.558SS**Hα-helixtrans-64.6-43177.7-170.9-102.1000111.7L97 Q98 A104 K105L97-F101 PolarHBondContact O-N 3.23Å; Q98-F101 PolarHBondContact O-N 3.08Å; Q98-F101 VanDerWaalsContact O-N 3.16Å; F101-A104 PolarHBondContact O-N 2.65Å; F101-K105 WeakPolarHBondContact O-CB 3.42Å; F101-K105 PolarHBondContact O-N 3.31Å
102D85.2Confident78.5Confident81 Ų81116 Ų11643%0.43357%0.569SS.*Hα-helixtrans-65.4-40.2176.5-80-25.9000112.4Q98 K105 K106Q98-D102 PolarHBondContact O-N 3.22Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K106 WeakPolarHBondContact O-CB 3.26Å; D102-K106 PolarHBondContact O-N 3.11Å
103Q87.2Confident77.3Confident103 Ų103116.9 Ų116.948%0.48157%0.57SS.*Hα-helixtrans-60.7-44.9171.4-78.6-178.367.900112D99 L100 K106 R107D99-Q103 WeakPolarHBondContact O-CB 3.08Å; D99-Q103 VanDerWaalsContact O-CG 3.29Å; D99-Q103 WeakPolarHBondContact O-CG 3.46Å; D99-Q103 PolarHBondContact O-N 2.99Å; L100-Q103 PolarHBondContact O-N 3.45Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-R107 WeakPolarHBondContact O-CG 3.34Å; Q103-R107 PolarHBondContact O-N 3.34Å
104A81.1Confident75.5Confident47 Ų47122.1 Ų122.139%0.38858%0.581SS.*Hα-helixtrans-63.5-41.9177.800000111.5L100 F101 K106 R107 K108L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 3.24Å; F101-A104 PolarHBondContact O-N 2.65Å; A104-K106 PolarHBondContact O-N 3.3Å; A104-R107 PolarHBondContact O-N 3.01Å; A104-K108 PolarHBondContact O-N 2.97Å
105K82.5Confident74.1Confident102 Ų102127 Ų12744%0.44360%0.597SS.*Hα-helixtrans-61.8-42.1175.5-170.1176.1-178.7178.20111.6F101 D102 K108 R109F101-K105 WeakPolarHBondContact O-CB 3.42Å; F101-K105 PolarHBondContact O-N 3.31Å; D102-K105 PolarHBondContact O-N 3.45Å; K105-K108 PolarHBondContact O-N 3.17Å; K105-R109 PolarHBondContact O-N 3.29Å
106K84.3Confident72.4Confident148 Ų148129.7 Ų129.764%0.64361%0.609SS**Hα-helixtrans-63.7-43.7175.3-171176.4-178.4178.10111.9D102 Q103 A104 R109 Q110D102-K106 WeakPolarHBondContact O-CB 3.26Å; D102-K106 PolarHBondContact O-N 3.11Å; Q103-K106 PolarHBondContact O-N 3.25Å; A104-K106 PolarHBondContact O-N 3.3Å; K106-R109 PolarHBondContact O-N 3.36Å; K106-Q110 WeakPolarHBondContact O-CG 3.49Å; K106-Q110 PolarHBondContact O-N 3.36Å
107R78Confident70.6Confident173 Ų173129.6 Ų129.665%0.65361%0.613SS**Hα-helixtrans-62.5-41176.1-71.5177-174.3-119.15.2112.1Q103 A104 R109 Q110 L111Q103-R107 WeakPolarHBondContact O-CG 3.34Å; Q103-R107 PolarHBondContact O-N 3.34Å; A104-R107 PolarHBondContact O-N 3.01Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.46Å; R107-Q110 PolarHBondContact O-N 3.29Å; R107-Q110 VanDerWaalsContact O-N 3.17Å; R107-L111 PolarHBondContact O-N 3.05Å; R107-L111 VanDerWaalsContact O-N 3.09Å
108K69.5Low68.8Low160 Ų160134.1 Ų134.170%0.69663%0.628SS**Hα-helixtrans-59.7-40.4175.7-76.8-172.7176.6-179.20112.5A104 K105 Q110 L111 V112A104-K108 PolarHBondContact O-N 2.97Å; K105-K108 PolarHBondContact O-N 3.17Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.5Å; K108-L111 PolarHBondContact O-N 3.14Å; K108-V112 VanDerWaalsContact O-CG2 3.3Å; K108-V112 WeakPolarHBondContact O-CG2 3.36Å
109R67.9Low67.3Low186 Ų186141.3 Ų141.370%0.70266%0.657SS**Hα-helixtrans-65.6-33.2176.4-69.8-179.1178.9-176.2-0.9112.9K105 K106 R107K105-R109 PolarHBondContact O-N 3.29Å; K106-R109 PolarHBondContact O-N 3.36Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.46Å
110Q60.4Low66.4Low145 Ų145144.4 Ų144.468%0.67867%0.669SS**Hα-helixtrans-75-27.8177-65.7-117.325.600113.3K106 R107 K108 V112 P113K106-Q110 WeakPolarHBondContact O-CG 3.49Å; K106-Q110 PolarHBondContact O-N 3.36Å; R107-Q110 PolarHBondContact O-N 3.29Å; R107-Q110 VanDerWaalsContact O-N 3.17Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.5Å; Q110-V112 VanDerWaalsContact C-N 3.26Å; Q110-V112 PolarHBondContact O-N 3.1Å; Q110-P113 VanDerWaalsContact O-CD 3.29Å; Q110-P113 WeakPolarHBondContact O-CD 3.48Å
111L55.3Low65.3Low122 Ų122147.1 Ų147.164%0.63968%0.678SS**THydrogen-bonded Turntrans-77.7-3.4-178.9-80.9161.7000114.5R107 K108 P113R107-L111 PolarHBondContact O-N 3.05Å; R107-L111 VanDerWaalsContact O-N 3.09Å; K108-L111 PolarHBondContact O-N 3.14Å; L111-P113 VanDerWaalsContact C-CD 3.42Å
112V56.1Low64.2Low110 Ų110147.3 Ų147.367%0.66768%0.681SS**G310 helixtrans-70.1-19.3-171-171.60000115.8K108 Q110K108-V112 VanDerWaalsContact O-CG2 3.3Å; K108-V112 WeakPolarHBondContact O-CG2 3.36Å; Q110-V112 VanDerWaalsContact C-N 3.26Å; Q110-V112 PolarHBondContact O-N 3.1Å
113P54.3Low63Low88 Ų88151.2 Ų151.257%0.57170%0.696SS**G310 helixtrans-92.2-0.5-178.534.7-30.6000116.1Q110 L111Q110-P113 VanDerWaalsContact O-CD 3.29Å; Q110-P113 WeakPolarHBondContact O-CD 3.48Å; L111-P113 VanDerWaalsContact C-CD 3.42Å
114Y44Very low61.4Low190 Ų190154.2 Ų154.275%0.74571%0.709SS**G310 helixtrans-85.7-6.4-179.4-75.7-73.4000115.6K116Y114-K116 PolarHBondContact O-N 3.3Å
115K50Low60.1Low205 Ų205161.3 Ų161.389%0.89173%0.731SS**G310 helixtrans-91.717.3177.4-72.3-163.6176.8-175.50115.4
116K50.3Low58.5Low201 Ų201165.6 Ų165.687%0.87475%0.751SS**G310 helixtrans-109.27.8173.3-83.8-169.4178.8-179.60116.1Y114Y114-K116 PolarHBondContact O-N 3.3Å
117V49.3Very low56.6Low108 Ų108166.9 Ų166.966%0.65576%0.759SS**SBendtrans-112.8-1.5-173.8-167.10000115.3
118F44.6Very low54.8Low206 Ų206166.4 Ų166.490%0.90477%0.768SS**  trans-123.388.3170.1-68.3-79.1000109.7
119K55.5Low53.4Low276 Ų276167 Ų167100%1.278%0.775SS**  trans-103.40159.3-175.8179.7-179.1179.30107.5

Retrieved 119 of 119 residues in 32.1 ms (Link to these results)