A0A5K4F829_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F829, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M47.6Very low64.7Low242 Ų242117.1 Ų117.1100%1.19260%0.603SS**  0106.30-119.7169.7153.500108.2T3M1-T3 PolarHBondContact O-N 2.94Å
2Q54.5Low66.5Low126 Ų126115.7 Ų115.759%0.58960%0.596SS**  trans-75116.1176.3-154.4172.331.300107.5S6Q2-S6 WeakPolarHBondContact CG-OG 2.89Å
3T60.8Low68Low84 Ų84111.8 Ų111.852%0.51558%0.581SS.*  trans-63.8155.2-178.567.20000111M1 K5 S6 R7M1-T3 PolarHBondContact O-N 2.94Å; T3-K5 PolarHBondContact O-N 2.82Å; T3-S6 WeakPolarHBondContact CA-OG 3.46Å; T3-S6 PolarHBondContact N-OG 3.12Å; T3-S6 PolarHBondContact O-N 3.12Å; T3-S6 PolarHBondContact O-OG 3.21Å; T3-S6 PolarHBondContact OG1-N 3.47Å; T3-S6 PolarHBondContact OG1-OG 3.03Å; T3-R7 PolarHBondContact O-N 3.02Å; T3-R7 VanDerWaalsContact O-N 3.15Å
4S61.3Low69.5Low93 Ų93114.4 Ų114.465%0.6559%0.586SS**Hα-helixtrans-52.7-36.8173.752.10000112.3R7 T8S4-R7 PolarHBondContact O-N 2.87Å; S4-T8 PolarHBondContact O-N 3.11Å; S4-T8 VanDerWaalsContact O-N 3.12Å
5K61.4Low71Confident159 Ų159113.3 Ų113.369%0.69158%0.581SS**Hα-helixtrans-61.8-42.2174.8-62.9-178.1-179.9179.60112.6T3 R7 T8 I9T3-K5 PolarHBondContact O-N 2.82Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 3.44Å; K5-T8 PolarHBondContact O-N 3.4Å; K5-T8 PolarHBondContact O-OG1 3.07Å; K5-I9 WeakPolarHBondContact O-CD1 3.26Å; K5-I9 WeakPolarHBondContact O-CG1 3.28Å; K5-I9 PolarHBondContact O-N 3.1Å
6S60.9Low72.4Confident35 Ų35111.4 Ų111.425%0.24557%0.572CS.*Hα-helixtrans-66.8-33.1175.2300000112.8Q2 T3 T10Q2-S6 WeakPolarHBondContact CG-OG 2.89Å; T3-S6 WeakPolarHBondContact CA-OG 3.46Å; T3-S6 PolarHBondContact N-OG 3.12Å; T3-S6 PolarHBondContact O-N 3.12Å; T3-S6 PolarHBondContact O-OG 3.21Å; T3-S6 PolarHBondContact OG1-N 3.47Å; T3-S6 PolarHBondContact OG1-OG 3.03Å; S6-T10 PolarHBondContact O-N 2.88Å; S6-T10 VanDerWaalsContact O-N 3.17Å; S6-T10 PolarHBondContact O-OG1 3.22Å
7R61.7Low73.6Confident166 Ų166110.3 Ų110.363%0.62657%0.566SS**Hα-helixtrans-68.1-40176.2-71.1-176.7176.1-178.8-1.2112.7T3 S4 K5 T10 L11T3-R7 PolarHBondContact O-N 3.02Å; T3-R7 VanDerWaalsContact O-N 3.15Å; S4-R7 PolarHBondContact O-N 2.87Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 3.44Å; R7-T10 WeakPolarHBondContact CA-OG1 3.14Å; R7-T10 PolarHBondContact O-N 3.02Å; R7-T10 PolarHBondContact O-OG1 3.2Å; R7-L11 PolarHBondContact O-N 2.97Å
8T69.4Low74.7Confident90 Ų90109.6 Ų109.655%0.55256%0.563SS**Hα-helixtrans-67.8-38.5178.653.80000111.9S4 K5 L11 L12S4-T8 PolarHBondContact O-N 3.11Å; S4-T8 VanDerWaalsContact O-N 3.12Å; K5-T8 PolarHBondContact O-N 3.4Å; K5-T8 PolarHBondContact O-OG1 3.07Å; T8-L11 PolarHBondContact O-N 3.47Å; T8-L12 WeakPolarHBondContact O-CB 3.48Å; T8-L12 PolarHBondContact O-N 2.95Å
9I75.7Confident75.7Confident107 Ų107109 Ų10955%0.54956%0.56SS.*Hα-helixtrans-61.6-46.7174.5-65165.3000110.2K5 L11 L12 T13K5-I9 WeakPolarHBondContact O-CD1 3.26Å; K5-I9 WeakPolarHBondContact O-CG1 3.28Å; K5-I9 PolarHBondContact O-N 3.1Å; I9-L11 PolarHBondContact O-N 3.07Å; I9-L12 PolarHBondContact O-N 2.95Å; I9-T13 WeakPolarHBondContact O-CG2 3.42Å; I9-T13 PolarHBondContact O-N 3.33Å; I9-T13 PolarHBondContact O-OG1 3.46Å
10T78Confident76.5Confident56 Ų56109.1 Ų109.134%0.34456%0.561SS.*Hα-helixtrans-60.3-45.2177.146.90000111.8S6 R7 L12 T13 F14S6-T10 PolarHBondContact O-N 2.88Å; S6-T10 VanDerWaalsContact O-N 3.17Å; S6-T10 PolarHBondContact O-OG1 3.22Å; R7-T10 WeakPolarHBondContact CA-OG1 3.14Å; R7-T10 PolarHBondContact O-N 3.02Å; R7-T10 PolarHBondContact O-OG1 3.2Å; T10-L12 PolarHBondContact O-N 3.16Å; T10-T13 WeakPolarHBondContact CA-OG1 3.38Å; T10-T13 PolarHBondContact O-N 3.03Å; T10-T13 PolarHBondContact O-OG1 3.39Å; T10-F14 VanDerWaalsContact O-CD2 3.24Å; T10-F14 WeakPolarHBondContact O-CD2 2.97Å; T10-F14 PolarHBondContact O-N 3.11Å
11L80.8Confident77.2Confident130 Ų130108.8 Ų108.868%0.68156%0.559SS**Hα-helixtrans-60.8-44.4178.4-167.589.5000111.7R7 T8 I9 T13 F14 L15R7-L11 PolarHBondContact O-N 2.97Å; T8-L11 PolarHBondContact O-N 3.47Å; I9-L11 PolarHBondContact O-N 3.07Å; L11-T13 PolarHBondContact O-N 3.05Å; L11-F14 PolarHBondContact O-N 3.11Å; L11-L15 PolarHBondContact O-N 3.03Å
12L86Confident79.2Confident100 Ų100101.6 Ų101.652%0.52453%0.525SS..Hα-helixtrans-61.9-44.1178.5-178.563.3000111.3T8 I9 T10 F14 L15 I16T8-L12 WeakPolarHBondContact O-CB 3.48Å; T8-L12 PolarHBondContact O-N 2.95Å; I9-L12 PolarHBondContact O-N 2.95Å; T10-L12 PolarHBondContact O-N 3.16Å; L12-F14 PolarHBondContact O-N 3.24Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.15Å; L12-I16 HydrophobicContact CD1-CD1 4.26Å; L12-I16 HydrophobicContact CG-CD1 3.99Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 3.45Å
13T86Confident80.7Confident65 Ų6598.6 Ų98.640%0.39952%0.517SS..Hα-helixtrans-62.6-41.4176.856.10000112.2I9 T10 L11 L15 I16 I17I9-T13 WeakPolarHBondContact O-CG2 3.42Å; I9-T13 PolarHBondContact O-N 3.33Å; I9-T13 PolarHBondContact O-OG1 3.46Å; T10-T13 WeakPolarHBondContact CA-OG1 3.38Å; T10-T13 PolarHBondContact O-N 3.03Å; T10-T13 PolarHBondContact O-OG1 3.39Å; L11-T13 PolarHBondContact O-N 3.05Å; T13-L15 PolarHBondContact O-N 2.98Å; T13-I16 PolarHBondContact O-N 3.49Å; T13-I17 WeakPolarHBondContact O-CD1 3.36Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.49Å; T13-I17 PolarHBondContact O-N 2.74Å
14F89Confident82Confident148 Ų148102.9 Ų102.965%0.64953%0.525SS*.Hα-helixtrans-62.2-41.8174.3-88.5-73.1000112.3T10 L11 L12 I17 L18T10-F14 VanDerWaalsContact O-CD2 3.24Å; T10-F14 WeakPolarHBondContact O-CD2 2.97Å; T10-F14 PolarHBondContact O-N 3.11Å; L11-F14 PolarHBondContact O-N 3.11Å; L12-F14 PolarHBondContact O-N 3.24Å; F14-I17 PolarHBondContact O-N 2.84Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 2.9Å
15L92Very high83Confident98 Ų98106.4 Ų106.451%0.51353%0.525SS..Hα-helixtrans-61.6-45.3177.3-168.294.3000111.4L11 L12 T13 L18 I19L11-L15 PolarHBondContact O-N 3.03Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.15Å; T13-L15 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.46Å; L15-I19 HydrophobicContact CD2-CD1 4.13Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.39Å; L15-I19 PolarHBondContact O-N 3.35Å
16I93.1Very high83.7Confident83 Ų83105.1 Ų105.143%0.42652%0.521SS..Hα-helixtrans-62.2-46.2178.3-67.9163.9000110.6L12 T13 L18 I19 L20L12-I16 HydrophobicContact CD1-CD1 4.26Å; L12-I16 HydrophobicContact CG-CD1 3.99Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 3.45Å; T13-I16 PolarHBondContact O-N 3.49Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.73Å; I16-I19 PolarHBondContact O-N 3.33Å; I16-L20 HydrophobicContact CG2-CD1 4.2Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 2.9Å
17I92.2Very high84.5Confident93 Ų93107.7 Ų107.748%0.47753%0.532SS..Hα-helixtrans-60.8-42.7177.3-67.7163.7000110.6T13 F14 I19 L20 I21T13-I17 WeakPolarHBondContact O-CD1 3.36Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.49Å; T13-I17 PolarHBondContact O-N 2.74Å; F14-I17 PolarHBondContact O-N 2.84Å; I17-I19 PolarHBondContact O-N 3.11Å; I17-L20 PolarHBondContact O-N 3.08Å; I17-I21 HydrophobicContact CG2-CD1 3.94Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 3.49Å
18L93.2Very high84.9Confident98 Ų98101.9 Ų101.951%0.51352%0.519SS..Hα-helixtrans-61.5-44.4177.7-174.867.3000112F14 L15 I16 L20 I21 I22F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 3.46Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.73Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.79Å; L18-I21 PolarHBondContact O-N 2.92Å; L18-I22 HydrophobicContact CG-CD1 4.14Å; L18-I22 WeakPolarHBondContact O-CG1 3.43Å; L18-I22 PolarHBondContact O-N 3.25Å
19I93.9Very high84.6Confident98 Ų98102 Ų10250%0.50351%0.513SS..Hα-helixtrans-62.1-41177.4-69.6164.7000110.9L15 I16 I17 I21 I22 S23L15-I19 HydrophobicContact CD2-CD1 4.13Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.39Å; L15-I19 PolarHBondContact O-N 3.35Å; I16-I19 PolarHBondContact O-N 3.33Å; I17-I19 PolarHBondContact O-N 3.11Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.3Å; I19-I22 PolarHBondContact O-N 3.38Å; I19-S23 WeakPolarHBondContact O-CB 3.36Å; I19-S23 PolarHBondContact O-N 3.02Å; I19-S23 PolarHBondContact O-OG 2.82Å
20L92.9Very high83.9Confident110 Ų11099.4 Ų99.458%0.57651%0.508SS*.Hα-helixtrans-63.1-38.9176-72.5170.9000112.3I16 I17 L18 S23 Y24I16-L20 HydrophobicContact CG2-CD1 4.2Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 2.9Å; I17-L20 PolarHBondContact O-N 3.08Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.79Å; L20-S23 WeakPolarHBondContact CA-OG 3.44Å; L20-S23 PolarHBondContact O-OG 2.98Å; L20-S23 VanDerWaalsContact O-OG 3.06Å; L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 PolarHBondContact O-N 2.65Å
21I91.7Very high82.9Confident104 Ų104105.5 Ų105.553%0.53352%0.524SS..Hα-helixtrans-65.9-46.4177-68.2164.1000110.9I17 L18 I19 Y24 W25I17-I21 HydrophobicContact CG2-CD1 3.94Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 3.49Å; L18-I21 PolarHBondContact O-N 2.92Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.3Å; I21-Y24 PolarHBondContact O-N 3.1Å; I21-W25 WeakPolarHBondContact O-CB 3.34Å; I21-W25 PolarHBondContact O-N 3.42Å
22I88.8Confident81.8Confident91 Ų91103.4 Ų103.447%0.46752%0.521SS..Hα-helixtrans-62.6-46.9-179.9-66.5167.3000110.7L18 I19 Y24 W25 E26L18-I22 HydrophobicContact CG-CD1 4.14Å; L18-I22 WeakPolarHBondContact O-CG1 3.43Å; L18-I22 PolarHBondContact O-N 3.25Å; I19-I22 PolarHBondContact O-N 3.38Å; I22-Y24 PolarHBondContact O-N 3.28Å; I22-W25 PolarHBondContact O-N 3.19Å; I22-W25 VanDerWaalsContact O-N 3.17Å; I22-E26 PolarHBondContact O-N 3.28Å
23S85.7Confident80.3Confident62 Ų62103 Ų10343%0.43453%0.527SS..Hα-helixtrans-64.9-37.9179.948.70000112.9I19 L20 W25 L27I19-S23 WeakPolarHBondContact O-CB 3.36Å; I19-S23 PolarHBondContact O-N 3.02Å; I19-S23 PolarHBondContact O-OG 2.82Å; L20-S23 WeakPolarHBondContact CA-OG 3.44Å; L20-S23 PolarHBondContact O-OG 2.98Å; L20-S23 VanDerWaalsContact O-OG 3.06Å; S23-W25 VanDerWaalsContact C-N 3.35Å; S23-L27 WeakPolarHBondContact O-CB 3.26Å; S23-L27 PolarHBondContact O-N 3.26Å; S23-L27 VanDerWaalsContact O-N 3.1Å
24Y87.8Confident78.8Confident174 Ų174108.3 Ų108.368%0.68254%0.544SS*.Hα-helixtrans-63.5-41.4172179.9-100.4000112L20 I21 I22 L27 A28L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 PolarHBondContact O-N 2.65Å; I21-Y24 PolarHBondContact O-N 3.1Å; I22-Y24 PolarHBondContact O-N 3.28Å; Y24-L27 PolarHBondContact O-N 3.36Å; Y24-A28 WeakPolarHBondContact O-CB 3.36Å; Y24-A28 PolarHBondContact O-N 3.26Å
25W83Confident76.8Confident167 Ų167105.9 Ų105.963%0.63355%0.545SS*.Hα-helixtrans-67.6-41.5-178.6-16672000112.6I21 I22 S23 A28 Q29I21-W25 WeakPolarHBondContact O-CB 3.34Å; I21-W25 PolarHBondContact O-N 3.42Å; I22-W25 PolarHBondContact O-N 3.19Å; I22-W25 VanDerWaalsContact O-N 3.17Å; S23-W25 VanDerWaalsContact C-N 3.35Å; W25-A28 PolarHBondContact O-N 3.44Å; W25-Q29 VanDerWaalsContact CZ2-NE2 3.28Å; W25-Q29 PolarHBondContact O-N 3Å; W25-Q29 VanDerWaalsContact O-N 3.09Å
26E76.2Confident75Confident133 Ų133105.5 Ų105.562%0.62155%0.551SS**Hα-helixtrans-62.4-42.3172.5-73.7-141.3158.600112.1I22 A28 Q29 A30I22-E26 PolarHBondContact O-N 3.28Å; E26-A28 VanDerWaalsContact C-N 3.29Å; E26-A28 PolarHBondContact O-N 3.24Å; E26-Q29 PolarHBondContact O-N 2.99Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.03Å
27L77.1Confident73.2Confident89 Ų89112.2 Ų112.247%0.46657%0.571SS.*Hα-helixtrans-62.7-38177.1-175.661.9000111.8S23 Y24 A30 R31S23-L27 WeakPolarHBondContact O-CB 3.26Å; S23-L27 PolarHBondContact O-N 3.26Å; S23-L27 VanDerWaalsContact O-N 3.1Å; Y24-L27 PolarHBondContact O-N 3.36Å; L27-A30 PolarHBondContact O-N 2.93Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.5Å
28A69.5Low71.6Confident43 Ų43116 Ų11636%0.35558%0.584SS.*Hα-helixtrans-64.4-43.9176.400000111.7Y24 W25 E26 R31 S32Y24-A28 WeakPolarHBondContact O-CB 3.36Å; Y24-A28 PolarHBondContact O-N 3.26Å; W25-A28 PolarHBondContact O-N 3.44Å; E26-A28 VanDerWaalsContact C-N 3.29Å; E26-A28 PolarHBondContact O-N 3.24Å; A28-R31 PolarHBondContact O-N 2.94Å; A28-S32 PolarHBondContact O-N 3.4Å; A28-S32 VanDerWaalsContact O-N 3.1Å
29Q63.6Low70Confident93 Ų93116.8 Ų116.844%0.43559%0.593SS.*Hα-helixtrans-66.2-39.5176.2-77.1-168.561.800113.3W25 E26 R31 S32 S33W25-Q29 VanDerWaalsContact CZ2-NE2 3.28Å; W25-Q29 PolarHBondContact O-N 3Å; W25-Q29 VanDerWaalsContact O-N 3.09Å; E26-Q29 PolarHBondContact O-N 2.99Å; Q29-R31 PolarHBondContact O-N 3.28Å; Q29-S32 PolarHBondContact O-N 3.31Å; Q29-S32 PolarHBondContact O-OG 3.1Å; Q29-S33 PolarHBondContact O-N 2.92Å; Q29-S33 PolarHBondContact O-OG 2.93Å
30A60.6Low68.4Low53 Ų53117.7 Ų117.744%0.43860%0.603SS.*Hα-helixtrans-64-26.1176.600000112.4E26 L27 S33E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.03Å; L27-A30 PolarHBondContact O-N 2.93Å; A30-S33 PolarHBondContact O-OG 3.33Å
31R58.3Low67Low183 Ų183117.1 Ų117.169%0.69160%0.604SS**Hα-helixtrans-80.2-40.6174.1-72.2177.1-178.5-156.50.7112.4L27 A28 Q29 S33 K34L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.5Å; A28-R31 PolarHBondContact O-N 2.94Å; Q29-R31 PolarHBondContact O-N 3.28Å; R31-S33 VanDerWaalsContact C-N 3.28Å; R31-S33 PolarHBondContact O-N 3.09Å; R31-K34 PolarHBondContact O-N 3.15Å
32S57.9Low65.7Low86 Ų86120.7 Ų120.760%0.60162%0.615SS**Hα-helixtrans-66.7-29-178.859.40000113.2A28 Q29 K34A28-S32 PolarHBondContact O-N 3.4Å; A28-S32 VanDerWaalsContact O-N 3.1Å; Q29-S32 PolarHBondContact O-N 3.31Å; Q29-S32 PolarHBondContact O-OG 3.1Å; S32-K34 VanDerWaalsContact C-N 3.29Å; S32-K34 PolarHBondContact O-N 3.43Å
33S54.2Low64.4Low93 Ų93123.5 Ų123.565%0.6563%0.626SS**THydrogen-bonded Turntrans-74.4-15.6178.160.80000114Q29 A30 R31 S35Q29-S33 PolarHBondContact O-N 2.92Å; Q29-S33 PolarHBondContact O-OG 2.93Å; A30-S33 PolarHBondContact O-OG 3.33Å; R31-S33 VanDerWaalsContact C-N 3.28Å; R31-S33 PolarHBondContact O-N 3.09Å; S33-S35 PolarHBondContact O-N 3.03Å
34K53.9Low63.3Low175 Ų175127.5 Ų127.576%0.76164%0.643SS**THydrogen-bonded Turntrans-8415.5176.6-73.6-177.4-180178.90114.2R31 S32 S36R31-K34 PolarHBondContact O-N 3.15Å; S32-K34 VanDerWaalsContact C-N 3.29Å; S32-K34 PolarHBondContact O-N 3.43Å; K34-S36 PolarHBondContact O-N 3.47Å
35S47.4Very low61.8Low97 Ų97124.1 Ų124.168%0.67864%0.641SS**  trans-67.379.5162.8176.30000108.9S33 R37S33-S35 PolarHBondContact O-N 3.03Å; S35-R37 VanDerWaalsContact C-N 3.25Å; S35-R37 PolarHBondContact O-N 3Å
36S55Low60.8Low91 Ų91121.9 Ų121.964%0.63665%0.645SS**  trans-5596.6164.1173.80000106.4K34 K38K34-S36 PolarHBondContact O-N 3.47Å; S36-K38 PolarHBondContact O-N 3.06Å
37R54.7Low59.7Low224 Ų224123 Ų12385%0.84565%0.65SS**  trans-65.782.9166.2-172.2178.6-175.7176.62.1105.1S35 T39S35-R37 VanDerWaalsContact C-N 3.25Å; S35-R37 PolarHBondContact O-N 3Å; R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 2.98Å
38K58.2Low58.7Low173 Ų173127.7 Ų127.775%0.75267%0.666SS**  trans-56.4102.7169.6-82.1-175176.1-178.60105.4S36 V40S36-K38 PolarHBondContact O-N 3.06Å; K38-V40 PolarHBondContact O-N 3.17Å
39T59.6Low58.1Low114 Ų114131.4 Ų131.470%0.69969%0.685SS**  trans-65.996.8166.443.10000105.4R37 V41R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 2.98Å; T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 2.74Å
40V60.8Low57.7Low117 Ų117133.4 Ų133.471%0.70970%0.703SS**  trans-64.798.3170.21790000105.8K38 K42K38-V40 PolarHBondContact O-N 3.17Å; V40-K42 HydrophobicContact CG1-CG 4.41Å; V40-K42 PolarHBondContact O-N 2.85Å
41V62.4Low57.5Low98 Ų98139.1 Ų139.159%0.59472%0.721SS**  trans-69.4100.1171.3179.80000105.8T39 H43T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 2.74Å; V41-H43 PolarHBondContact O-CD2 2.97Å; V41-H43 PolarHBondContact O-N 2.99Å; V41-H43 VanDerWaalsContact O-N 3.11Å
42K65.2Low57.2Low178 Ų178140.1 Ų140.177%0.77473%0.73SS**  trans-70.3105.8173-67.3-174.5179-174.80107.6V40 N44V40-K42 HydrophobicContact CG1-CG 4.41Å; V40-K42 PolarHBondContact O-N 2.85Å; K42-N44 PolarHBondContact O-N 2.82Å
43H62.4Low57.1Low151 Ų151141.6 Ų141.670%0.69974%0.741SS**  trans-74.3111.7165.5-58.2-80.7000107V41 T45V41-H43 PolarHBondContact O-CD2 2.97Å; V41-H43 PolarHBondContact O-N 2.99Å; V41-H43 VanDerWaalsContact O-N 3.11Å; H43-T45 VanDerWaalsContact C-N 3.31Å; H43-T45 PolarHBondContact O-N 2.93Å
44N62.3Low57Low145 Ų145141.7 Ų141.778%0.77574%0.741SS**  trans-70.792.3171.4-80.1-1.4000108K42 V46K42-N44 PolarHBondContact O-N 2.82Å; N44-V46 PolarHBondContact O-N 3.28Å
45T55.8Low57.3Low104 Ų104140.3 Ų140.364%0.63875%0.747SS**  trans-70.398.2169.6-56.80000108.1H43 H47H43-T45 VanDerWaalsContact C-N 3.31Å; H43-T45 PolarHBondContact O-N 2.93Å; T45-H47 PolarHBondContact O-N 3.49Å; T45-H47 VanDerWaalsContact O-N 3.16Å
46V60.9Low57.9Low119 Ų119144 Ų14472%0.72175%0.751SS**  trans-76.2100.5173.9-179.20000107.7N44 K48N44-V46 PolarHBondContact O-N 3.28Å; V46-K48 PolarHBondContact O-N 3.03Å; V46-K48 VanDerWaalsContact O-N 3.1Å
47H55.1Low58.2Low156 Ų156145 Ų14572%0.72276%0.755SS**  trans-66.5107168.4-67.4-82.2000108.6T45 T49T45-H47 PolarHBondContact O-N 3.49Å; T45-H47 VanDerWaalsContact O-N 3.16Å; H47-T49 PolarHBondContact O-N 3.04Å; H47-T49 VanDerWaalsContact O-N 3.07Å
48K55.8Low58.6Low188 Ų188140.2 Ų140.282%0.81775%0.753SS**  trans-74.792.9168.7-74.8-175.8178.7179.80108V46 V50V46-K48 PolarHBondContact O-N 3.03Å; V46-K48 VanDerWaalsContact O-N 3.1Å; K48-V50 PolarHBondContact O-N 3.42Å; K48-V50 VanDerWaalsContact O-N 3.11Å
49T56.3Low59Low121 Ų121137.9 Ų137.974%0.74275%0.754SS**  trans-67.7107.2166-37.30000107.5H47 Q51H47-T49 PolarHBondContact O-N 3.04Å; H47-T49 VanDerWaalsContact O-N 3.07Å; T49-Q51 PolarHBondContact O-N 3.23Å
50V55.9Low58.9Low135 Ų135142.3 Ų142.382%0.81876%0.763SS**  trans-70.298.9176.1-179.30000107.2K48 K52K48-V50 PolarHBondContact O-N 3.42Å; K48-V50 VanDerWaalsContact O-N 3.11Å; V50-K52 PolarHBondContact O-N 3.48Å
51Q56.3Low59.2Low173 Ų173142.3 Ų142.381%0.80876%0.764SS**  trans-69.8129.6174-68.4-156.92.300109.6T49 S53T49-Q51 PolarHBondContact O-N 3.23Å; Q51-S53 PolarHBondContact O-N 3.02Å
52K52.2Low59.3Low205 Ų205143 Ų14389%0.89177%0.77SS**  trans-53.5132.9175.9-73.3178.4177.2179.70109.7V50 S54V50-K52 PolarHBondContact O-N 3.48Å; K52-S54 PolarHBondContact O-N 3.46Å; K52-S54 VanDerWaalsContact O-N 3.12Å
53S55.8Low59.1Low117 Ų117144 Ų14482%0.81878%0.778SS**  trans-51112.6179.3540000111.4Q51Q51-S53 PolarHBondContact O-N 3.02Å
54S52.1Low59.1Low95 Ų95147.9 Ų147.966%0.66479%0.786SS**  trans-83.5125.5162.1176.60000108K52 K56K52-S54 PolarHBondContact O-N 3.46Å; K52-S54 VanDerWaalsContact O-N 3.12Å; S54-K56 PolarHBondContact O-N 3.3Å
55T59.5Low59.1Low145 Ų145148.3 Ų148.389%0.8979%0.789SS**  trans-69.218.4-177.226.60000114.5
56K59Low59.4Low175 Ų175148.6 Ų148.676%0.76179%0.792SS**SBendtrans-83.5133.6174.2-85.3-175.3176178.90111S54S54-K56 PolarHBondContact O-N 3.3Å
57P61.9Low59.5Low111 Ų111152.7 Ų152.772%0.72180%0.8SS**  trans-60.2139.8176.322.9-30.8000110.4T59P57-T59 PolarHBondContact O-N 2.98Å; P57-T59 VanDerWaalsContact O-N 3.12Å
58P63.1Low60Low124 Ų124153.7 Ų153.781%0.80581%0.805SS**  trans-63.8115.3-17623.6-31.9000110.3K60P58-K60 PolarHBondContact O-N 2.97Å
59T65.9Low60.5Low125 Ų125150.5 Ų150.577%0.76780%0.803SS**  trans-63.4118.2166.4-51.90000107.9P57 V61P57-T59 PolarHBondContact O-N 2.98Å; P57-T59 VanDerWaalsContact O-N 3.12Å; T59-V61 VanDerWaalsContact C-N 3.33Å; T59-V61 WeakPolarHBondContact O-CG2 3.29Å; T59-V61 PolarHBondContact O-N 2.93Å
60K59.1Low60.9Low206 Ų206150.9 Ų150.990%0.89681%0.805SS**  trans-63.893.8171.5-78.1-179.3177.8177.90108.8P58P58-K60 PolarHBondContact O-N 2.97Å
61V66.6Low61.5Low118 Ų118149.8 Ų149.872%0.71580%0.801SS**  trans-82.6132.4168.6-154.10000107.5T59 Q63T59-V61 VanDerWaalsContact C-N 3.33Å; T59-V61 WeakPolarHBondContact O-CG2 3.29Å; T59-V61 PolarHBondContact O-N 2.93Å; V61-Q63 PolarHBondContact O-N 3.01Å
62P64.6Low62Low113 Ų113149.8 Ų149.873%0.73480%0.798SS**  trans-56.6116.5176.9-24.233.1000110.6R64P62-R64 PolarHBondContact O-N 3.4Å
63Q59.9Low62.3Low198 Ų198149.5 Ų149.593%0.92580%0.797SS**  trans-62.6101.9170.5-107.7-179.4-21.300108.1V61 N65V61-Q63 PolarHBondContact O-N 3.01Å; Q63-N65 PolarHBondContact O-N 2.91Å
64R63.5Low62.4Low232 Ų232153.4 Ų153.488%0.87580%0.795SS**  trans-67.3116.3163-75.1-172.2175.6-167.6-0.4106.8P62 P66P62-R64 PolarHBondContact O-N 3.4Å; R64-P66 VanDerWaalsContact O-CD 3.28Å; R64-P66 WeakPolarHBondContact O-CD 3.46Å; R64-P66 VanDerWaalsContact O-N 3.08Å
65N61.1Low62.8Low155 Ų155156.1 Ų156.183%0.82980%0.802SS**  trans-54.1115.8173.2-114.7-15.5000108.3Q63 K67Q63-N65 PolarHBondContact O-N 2.91Å; N65-K67 PolarHBondContact O-N 3.37Å
66P62Low62.5Low109 Ų109153.7 Ų153.771%0.70879%0.792SS**  trans-63.5115.6177.224.2-30000107.5R64 Q68R64-P66 VanDerWaalsContact O-CD 3.28Å; R64-P66 WeakPolarHBondContact O-CD 3.46Å; R64-P66 VanDerWaalsContact O-N 3.08Å; P66-Q68 PolarHBondContact O-N 3.49Å
67K64.1Low62.7Low205 Ų205150.3 Ų150.389%0.89179%0.786SS**  trans-55.5113168.5-98-178.9174.9178.30106.9N65N65-K67 PolarHBondContact O-N 3.37Å
68Q64.5Low62.2Low177 Ų177154.7 Ų154.783%0.82779%0.789SS**PPolyproline II helixtrans-57.8133172.1-77.1178.3-20.800108.6P66 V70P66-Q68 PolarHBondContact O-N 3.49Å; Q68-V70 PolarHBondContact O-N 3.29Å; Q68-V70 VanDerWaalsContact O-N 3.11Å
69P66.8Low61.9Low121 Ų121155.2 Ų155.279%0.78679%0.785SS**PPolyproline II helixtrans-63.4116.1176.523.7-30.1000108.9P71P69-P71 WeakPolarHBondContact O-CD 3.39Å
70V65Low61.6Low129 Ų129156 Ų15678%0.78278%0.784SS**PPolyproline II helixtrans-66.5123.8173.6-175.30000107.6Q68 K72Q68-V70 PolarHBondContact O-N 3.29Å; Q68-V70 VanDerWaalsContact O-N 3.11Å; V70-K72 PolarHBondContact O-N 3.44Å; V70-K72 VanDerWaalsContact O-N 3.15Å
71P67.4Low61.5Low112 Ų112151.1 Ų151.173%0.72777%0.773SS**PPolyproline II helixtrans-61.8120.2176.823.1-30.9000109P69 K73P69-P71 WeakPolarHBondContact O-CD 3.39Å; P71-K73 PolarHBondContact O-N 2.75Å; P71-K73 VanDerWaalsContact O-N 3.08Å
72K67.1Low61Low173 Ų173153.7 Ų153.775%0.75278%0.777SS**  trans-62.8112170.7-71.5-178.3179.2179.70107.6V70 Y74V70-K72 PolarHBondContact O-N 3.44Å; V70-K72 VanDerWaalsContact O-N 3.15Å; K72-Y74 HydrophobicContact CB-CE2 4.17Å; K72-Y74 WeakPolarHBondContact O-CD2 3.24Å; K72-Y74 PolarHBondContact O-N 2.99Å; K72-Y74 VanDerWaalsContact O-N 3.11Å
73K58.5Low60.6Low199 Ų199155 Ų15587%0.86578%0.777SS**  trans-67.4106.3167.5-76.9-169.2177.7-174.10107.9P71 N75P71-K73 PolarHBondContact O-N 2.75Å; P71-K73 VanDerWaalsContact O-N 3.08Å; K73-N75 PolarHBondContact O-N 3.41Å
74Y58.7Low60.1Low200 Ų200151.1 Ų151.178%0.78477%0.767SS**  trans-76.5109.1166.7-74.2-90.3000108K72 S76K72-Y74 HydrophobicContact CB-CE2 4.17Å; K72-Y74 WeakPolarHBondContact O-CD2 3.24Å; K72-Y74 PolarHBondContact O-N 2.99Å; K72-Y74 VanDerWaalsContact O-N 3.11Å; Y74-S76 PolarHBondContact O-N 2.8Å
75N61.3Low59.4Low151 Ų151149.7 Ų149.781%0.80776%0.762SS**  trans-72.483.3164.5-96.1-6.4000108.1K73 T77K73-N75 PolarHBondContact O-N 3.41Å; N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 2.99Å
76S52.4Low58.8Low95 Ų95147.1 Ų147.166%0.66475%0.753SS**  trans-91.475.6163.4-171.80000107.9Y74 Y78Y74-S76 PolarHBondContact O-N 2.8Å; S76-Y78 PolarHBondContact O-N 3.44Å
77T62.3Low58Low104 Ų104151.9 Ų151.964%0.63876%0.763SS**  trans-75.688.5164.5-52.80000106.3N75 N79N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 2.99Å; T77-N79 VanDerWaalsContact C-N 3.32Å; T77-N79 WeakPolarHBondContact CG2-OD1 3.4Å; T77-N79 PolarHBondContact O-N 3.26Å
78Y52.1Low57.2Low202 Ų202148.4 Ų148.479%0.79276%0.755SS**  trans-71.694171.8-142.9-93.2000107.4S76 L80S76-Y78 PolarHBondContact O-N 3.44Å; Y78-L80 PolarHBondContact O-N 3.2Å
79N57.2Low56.3Low135 Ų135143.2 Ų143.272%0.72274%0.742SS**  trans-70.1100.4173.8-75.1-28.7000108.1T77 P81T77-N79 VanDerWaalsContact C-N 3.32Å; T77-N79 WeakPolarHBondContact CG2-OD1 3.4Å; T77-N79 PolarHBondContact O-N 3.26Å; N79-P81 WeakPolarHBondContact O-CD 3.49Å
80L59.2Low55.4Low141 Ų141144.6 Ų144.674%0.73874%0.741SS**  trans-62.4124171.8-162.275.4000107.8Y78 Q82Y78-L80 PolarHBondContact O-N 3.2Å; L80-Q82 PolarHBondContact O-N 2.72Å
81P57.6Low54.4Low104 Ų104147.7 Ų147.768%0.67574%0.744SS**  trans-60.8108.5178.821.1-29.4000109.1N79 I83N79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-I83 PolarHBondContact O-N 3.47Å
82Q55.9Low53.4Low172 Ų172151.4 Ų151.480%0.80474%0.743SS**  trans-69.297.2170.4-70.9-169.5-5.400107.5L80 T84L80-Q82 PolarHBondContact O-N 2.72Å; Q82-T84 HydrophobicContact CB-CG2 4.4Å; Q82-T84 PolarHBondContact O-N 3.01Å
83I55Low52.5Low140 Ų140151.2 Ų151.272%0.71875%0.745SS**  trans-69.786.1166.5-63.6175.3000106.4P81 R85P81-I83 PolarHBondContact O-N 3.47Å; I83-R85 HydrophobicContact CG2-CB 4.19Å; I83-R85 HydrophobicContact CG2-CG 3.74Å; I83-R85 PolarHBondContact O-N 3.3Å
84T49.4Very low52.2Low118 Ų118148 Ų14872%0.72474%0.736SS**  trans-75.166167.250.70000108.4Q82Q82-T84 HydrophobicContact CB-CG2 4.4Å; Q82-T84 PolarHBondContact O-N 3.01Å
85R49.3Very low51.6Low201 Ų201149.1 Ų149.176%0.75874%0.739SS**  trans-81.9123.7162.2-78.3-172.6-175.7-162.73.1107I83 F87I83-R85 HydrophobicContact CG2-CB 4.19Å; I83-R85 HydrophobicContact CG2-CG 3.74Å; I83-R85 PolarHBondContact O-N 3.3Å; R85-F87 PolarHBondContact O-N 3.42Å
86P49.4Very low50.9Low101 Ų101144.5 Ų144.566%0.65673%0.728SS**  trans-59.9114.9176.124.6-31.3000107N88P86-N88 HydrophobicContact CB-CB 4.45Å; P86-N88 PolarHBondContact O-N 3.28Å
87F45.9Very low50.6Low210 Ų210146.7 Ų146.792%0.92173%0.732SS**  trans-66.955.4157.9-78.2-90.3000108.2R85 A89R85-F87 PolarHBondContact O-N 3.42Å; F87-A89 PolarHBondContact O-N 2.96Å
88N45.8Very low49.7Very low132 Ų132147 Ų14771%0.70673%0.727SS**  trans-71.779.2158.3-81.8-9000105P86 I90P86-N88 HydrophobicContact CB-CB 4.45Å; P86-N88 PolarHBondContact O-N 3.28Å; N88-I90 VanDerWaalsContact C-N 3.26Å; N88-I90 PolarHBondContact O-N 3.49Å
89A46Very low49.6Very low68 Ų68142.7 Ų142.756%0.56272%0.717SS**  trans11.275.4144.600000112.5F87 K91F87-A89 PolarHBondContact O-N 2.96Å; A89-K91 HydrophobicContact CB-CD 4.25Å; A89-K91 HydrophobicContact CB-CG 4.01Å; A89-K91 PolarHBondContact O-N 3.43Å
90I47.1Very low49Very low149 Ų149146.6 Ų146.676%0.76472%0.721SS**  trans-69.870150.4-58.1176.3000103.9N88 R92N88-I90 VanDerWaalsContact C-N 3.26Å; N88-I90 PolarHBondContact O-N 3.49Å; I90-R92 HydrophobicContact CG2-CB 3.75Å; I90-R92 HydrophobicContact CG2-CG 4.1Å; I90-R92 PolarHBondContact O-N 3.3Å
91K45.9Very low48.3Very low194 Ų194147.5 Ų147.584%0.84372%0.722SS**  trans-69.936.6162.8-82.8177-179.7-176.20108.9A89 Q93A89-K91 HydrophobicContact CB-CD 4.25Å; A89-K91 HydrophobicContact CB-CG 4.01Å; A89-K91 PolarHBondContact O-N 3.43Å; K91-Q93 PolarHBondContact O-N 3.25Å
92R45.7Very low47.7Very low190 Ų190148.8 Ų148.872%0.71772%0.719SS**  trans-88.195.2175.5-76.9-172170.9-146.3-0.7108.5I90 I94I90-R92 HydrophobicContact CG2-CB 3.75Å; I90-R92 HydrophobicContact CG2-CG 4.1Å; I90-R92 PolarHBondContact O-N 3.3Å; R92-I94 PolarHBondContact O-N 2.92Å
93Q47.1Very low47.1Very low169 Ų169148.1 Ų148.179%0.7971%0.713SS**SBend66.48.3125.4-68.8175.6-34.700121K91 R95K91-Q93 PolarHBondContact O-N 3.25Å; Q93-R95 PolarHBondContact O-N 2.94Å; Q93-R95 VanDerWaalsContact O-N 3.14Å
94I52.2Low46.6Very low132 Ų132150.2 Ų150.268%0.67772%0.72SS**THydrogen-bonded Turntrans-76.64.3174.4-39.2-175.5000112.9R92 M98R92-I94 PolarHBondContact O-N 2.92Å; I94-M98 HydrophobicContact CG2-CE 3.86Å
95R46.1Very low46.2Very low223 Ų223148.4 Ų148.484%0.84271%0.712SS**THydrogen-bonded Turntrans-85.9-11.2178.9-135.3-177.2-142.9-135.84115Q93Q93-R95 PolarHBondContact O-N 2.94Å; Q93-R95 VanDerWaalsContact O-N 3.14Å
96G46.6Very low46Very low55 Ų55145.4 Ų145.457%0.56771%0.71SS**THydrogen-bonded Turntrans-84-35.3-17600000114.9
97N46.1Very low46Very low140 Ų140148.4 Ų148.475%0.74972%0.721SS**THydrogen-bonded Turntrans-106.8-17.9-167.3-69.624.1000114.2
98M43.9Very low45.9Very low111 Ų111143.2 Ų143.255%0.54771%0.707SS.*Hα-helixtrans-73.3-32.4-178.7-159.6-179.6-55.900112.6I94 R100I94-M98 HydrophobicContact CG2-CE 3.86Å; M98-R100 PolarHBondContact O-N 2.76Å
99I50.1Low45.6Very low111 Ų111147.1 Ų147.157%0.56971%0.713SS**Hα-helixtrans-70.5-19.9-177.3-56.1175.6000111.8F103I99-F103 HydrophobicContact CG2-CE2 4.22Å; I99-F103 WeakPolarHBondContact O-CD2 3.44Å
100R45Very low45.4Very low217 Ų217149.1 Ų149.182%0.81972%0.72SS**Hα-helixtrans-86.1-21.5-174.8-162.7167.8179.4-114.50.2114.3M98M98-R100 PolarHBondContact O-N 2.76Å
101E43.7Very low45.2Very low161 Ų161148.9 Ų148.975%0.75272%0.721SS**Hα-helixtrans-93-22.3-175.6-70.3-170.9177.800114F103 Q104E101-F103 PolarHBondContact O-N 2.93Å; E101-Q104 PolarHBondContact O-N 2.76Å
102E44.8Very low45.1Very low130 Ų130146.8 Ų146.861%0.60772%0.717SS**G310 helixtrans-75.4-23.2-175.5-63.6-167-170.800114Q104 S105E102-Q104 PolarHBondContact O-N 2.98Å; E102-S105 PolarHBondContact O-N 3.29Å
103F44.8Very low44.9Very low158 Ų158147.1 Ų147.169%0.69372%0.72SS**G310 helixtrans-72.2-7.8178.2-71.8-72000114.7I99 E101I99-F103 HydrophobicContact CG2-CE2 4.22Å; I99-F103 WeakPolarHBondContact O-CD2 3.44Å; E101-F103 PolarHBondContact O-N 2.93Å
104Q43.3Very low44.5Very low185 Ų185149.7 Ų149.786%0.86472%0.722SS**G310 helixtrans-95.5-2.2177.8-81.5-175.7-8.100114.6E101 E102E101-Q104 PolarHBondContact O-N 2.76Å; E102-Q104 PolarHBondContact O-N 2.98Å
105S41.3Very low44.2Very low79 Ų79146.4 Ų146.455%0.55271%0.71SS**  trans-112.12.6-176.570.10000115.7E102 D107 T108E102-S105 PolarHBondContact O-N 3.29Å; S105-D107 PolarHBondContact O-N 3.47Å; S105-T108 PolarHBondContact O-N 3.41Å
106L45.7Very low44.3Very low138 Ų138144.3 Ų144.372%0.72371%0.714SS**THydrogen-bonded Turntrans-63.1-9.7-177.1-88.5162.5000115
107D48.2Very low44.2Very low164 Ų164149.1 Ų149.188%0.87772%0.722SS**THydrogen-bonded Turntrans-99.74.8-177.1-74.4-24.8000115.5S105S105-D107 PolarHBondContact O-N 3.47Å
108T44.8Very low44.1Very low102 Ų102151.5 Ų151.563%0.62672%0.72SS**SBendtrans-116.23.8-170.6-49.30000117.4S105S105-T108 PolarHBondContact O-N 3.41Å
109Y38.6Very low44.2Very low213 Ų213153.2 Ų153.284%0.83573%0.731SS**  trans-129.7114.6172.1-81.4-84.6000114N111Y109-N111 PolarHBondContact O-N 3.19Å
110P43Very low44Very low110 Ų110153.5 Ų153.571%0.71473%0.733SS**  trans-67.4100.6170.627.1-31.3000108.8I112P110-I112 VanDerWaalsContact C-N 3.33Å; P110-I112 VanDerWaalsContact O-CG1 3.31Å; P110-I112 WeakPolarHBondContact O-CG1 3.36Å; P110-I112 PolarHBondContact O-N 3.25Å
111N41.6Very low44Very low144 Ų144148.9 Ų148.977%0.7773%0.725SS**  trans2560.4142-146.1-0.9000116.3Y109 Y113Y109-N111 PolarHBondContact O-N 3.19Å; N111-Y113 PolarHBondContact O-N 2.73Å; N111-Y113 VanDerWaalsContact O-N 3.15Å
112I44.3Very low44Very low151 Ų151150.3 Ų150.377%0.77473%0.725SS**  trans-88.159.1162.9-43.8-178.7000107P110 R114P110-I112 VanDerWaalsContact C-N 3.33Å; P110-I112 VanDerWaalsContact O-CG1 3.31Å; P110-I112 WeakPolarHBondContact O-CG1 3.36Å; P110-I112 PolarHBondContact O-N 3.25Å; I112-R114 HydrophobicContact CG2-CB 4.25Å; I112-R114 PolarHBondContact O-N 3.17Å
113Y41.3Very low43.9Very low197 Ų197152.2 Ų152.277%0.77373%0.734SS**  trans-70.285157.7-149.3-91.5000105.1N111 P115N111-Y113 PolarHBondContact O-N 2.73Å; N111-Y113 VanDerWaalsContact O-N 3.15Å; Y113-P115 VanDerWaalsContact C-CD 3.43Å; Y113-P115 WeakPolarHBondContact O-CD 3.49Å
114R39.4Very low43.9Very low223 Ų223152.4 Ų152.484%0.84274%0.737SS**  trans-90.891.2166-166.1-177.5-104.8-148.5-1.8105.2I112I112-R114 HydrophobicContact CG2-CB 4.25Å; I112-R114 PolarHBondContact O-N 3.17Å
115P44.6Very low43.8Very low63 Ų63150.2 Ų150.241%0.40973%0.726SS.*  trans-53.6147.9172.822.3-30.1000108Y113 E117Y113-P115 VanDerWaalsContact C-CD 3.43Å; Y113-P115 WeakPolarHBondContact O-CD 3.49Å; P115-E117 HydrophobicContact CB-CG 4.47Å; P115-E117 HydrophobicContact CG-CG 4.14Å; P115-E117 PolarHBondContact O-N 3.41Å
116L48.8Very low43.7Very low178 Ų178153.1 Ų153.193%0.93274%0.736SS**  trans-64.155.6175.1-74.9133.2000110.9R118L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 3.26Å
117E44.7Very low43.5Very low156 Ų156153.1 Ų153.173%0.72974%0.736SS**  trans-65.295.2176.2-84.1-174.8160.700108.3P115P115-E117 HydrophobicContact CB-CG 4.47Å; P115-E117 HydrophobicContact CG-CG 4.14Å; P115-E117 PolarHBondContact O-N 3.41Å
118R44.1Very low43.3Very low191 Ų191152 Ų15272%0.72173%0.73SS**  trans64.476.9144.2-58.6-171.5178141.90.3114.4L116 N120L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 3.26Å; R118-N120 HydrophobicContact CB-CB 4.42Å; R118-N120 PolarHBondContact O-N 2.91Å
119L46.7Very low43.2Very low147 Ų147153.2 Ų153.277%0.7773%0.733SS**THydrogen-bonded Turntrans-60.216.2145.3-119.1128.8000113.8Y122L119-Y122 HydrophobicContact CD2-CD2 4.49Å
120N45.7Very low43.1Very low116 Ų116149.2 Ų149.262%0.6273%0.726SS**THydrogen-bonded Turntrans-82.6-10.7175-97.32.4000113.8R118 Y122R118-N120 HydrophobicContact CB-CB 4.42Å; R118-N120 PolarHBondContact O-N 2.91Å; N120-Y122 VanDerWaalsContact C-N 3.33Å; N120-Y122 PolarHBondContact O-N 3.34Å
121N44.1Very low42.9Very low120 Ų120153.5 Ų153.564%0.64273%0.73SS**Hα-helixtrans-78.4-13.9179.9-77.9-12.9000114.3Q123N121-Q123 VanDerWaalsContact C-N 3.34Å; N121-Q123 PolarHBondContact O-N 3.48Å
122Y45Very low42.7Very low192 Ų192155.3 Ų155.375%0.75373%0.733SS**Hα-helixtrans-77.8-16.6178.2-78.5-76000114L119 N120L119-Y122 HydrophobicContact CD2-CD2 4.49Å; N120-Y122 VanDerWaalsContact C-N 3.33Å; N120-Y122 PolarHBondContact O-N 3.34Å
123Q42.9Very low42.4Very low169 Ų169156.8 Ų156.879%0.7973%0.734SS**Hα-helixtrans-88.1-19.5177.3-75.4-168.7-16.600114.2N121N121-Q123 VanDerWaalsContact C-N 3.34Å; N121-Q123 PolarHBondContact O-N 3.48Å
124Q43.3Very low42.4Very low162 Ų162156 Ų15676%0.75774%0.736SS**Hα-helixtrans-90.9-26.5177.8-79-154.7-59.700114.5N126 N127Q124-N126 VanDerWaalsContact C-N 3.27Å; Q124-N126 PolarHBondContact O-N 3.12Å; Q124-N127 PolarHBondContact O-N 3.48Å
125H40.8Very low42.6Very low140 Ų140152.3 Ų152.365%0.64873%0.728SS**G310 helixtrans-77.7-12.6-177.2-139.4-66000114.2
126N40Very low42.6Very low140 Ų140158 Ų15875%0.74975%0.749SS**G310 helixtrans-88.80.1177.6-155.622.4000114Q124Q124-N126 VanDerWaalsContact C-N 3.27Å; Q124-N126 PolarHBondContact O-N 3.12Å
127N41.4Very low42.4Very low137 Ų137155.3 Ų155.373%0.73374%0.739SS**G310 helixtrans-103.81179.5-141.312.8000114.6Q124Q124-N127 PolarHBondContact O-N 3.48Å
128N43.4Very low42.3Very low140 Ų140152 Ų15275%0.74973%0.732SS**SBendtrans-114.9-3.8-176.7-124.335.6000116
129N42.9Very low42.6Very low128 Ų128150.1 Ų150.168%0.68473%0.733SS**SBendtrans-115.314.2-178.2-70.43.8000113.9Y131N129-Y131 PolarHBondContact O-N 3.01Å
130N37.4Very low42.8Very low130 Ų130149.6 Ų149.670%0.69573%0.731SS**SBendtrans-83.716.5-178.4-150.420.2000114.6
131Y38.3Very low42.7Very low200 Ų200152.2 Ų152.278%0.78474%0.739SS**SBendtrans-140.964.9179.2-64.6-78.4000112.1N129N129-Y131 PolarHBondContact O-N 3.01Å
132Q37.8Very low42.7Very low181 Ų181154 Ų15485%0.84674%0.744SS**SBendtrans-157.85.6153.6-131.3171.98.100117.5F134Q132-F134 VanDerWaalsContact C-N 3.33Å; Q132-F134 PolarHBondContact O-N 3.14Å
133F38.3Very low42.9Very low182 Ų182151.5 Ų151.580%0.79874%0.743SS**  trans-99.652.2168.1-92.6-92.9000110.9E135F133-E135 HydrophobicContact CD1-CB 4.18Å; F133-E135 WeakPolarHBondContact CE1-OE2 3.33Å; F133-E135 PolarHBondContact O-N 2.89Å
134F40Very low42.8Very low182 Ų182146.1 Ų146.180%0.79873%0.733SS**  trans-9159.9144.5-67-79.1000106Q132 E136Q132-F134 VanDerWaalsContact C-N 3.33Å; Q132-F134 PolarHBondContact O-N 3.14Å; F134-E136 PolarHBondContact O-N 2.91Å
135E44.9Very low42.8Very low145 Ų145148.7 Ų148.768%0.67874%0.738SS**  trans-65.7115.8166.4-163.8162.7-156.700105.1F133 V137F133-E135 HydrophobicContact CD1-CB 4.18Å; F133-E135 WeakPolarHBondContact CE1-OE2 3.33Å; F133-E135 PolarHBondContact O-N 2.89Å; E135-V137 PolarHBondContact O-N 2.68Å
136E44.3Very low43Very low183 Ų183148.6 Ų148.686%0.85574%0.74SS**  trans-29.3103.5-179.9-69.5166.9153.800111.3F134 P138F134-E136 PolarHBondContact O-N 2.91Å; E136-P138 VanDerWaalsContact O-CD 3.26Å; E136-P138 WeakPolarHBondContact O-CD 3.45Å; E136-P138 VanDerWaalsContact O-N 3.14Å
137V43.9Very low43.3Very low120 Ų120146.3 Ų146.373%0.72773%0.733SS**  trans-62.6118.4165.4178.40000105.3E135 M139E135-V137 PolarHBondContact O-N 2.68Å; V137-M139 PolarHBondContact O-N 3.32Å
138P44.1Very low43.5Very low88 Ų88149.2 Ų149.257%0.57174%0.742SS**  trans-59.8115.5-177.322-31.5000108.7E136 N140E136-P138 VanDerWaalsContact O-CD 3.26Å; E136-P138 WeakPolarHBondContact O-CD 3.45Å; E136-P138 VanDerWaalsContact O-N 3.14Å; P138-N140 PolarHBondContact O-N 3Å
139M49.1Very low43.9Very low150 Ų150150.3 Ų150.374%0.73975%0.748SS**THydrogen-bonded Turntrans-68.912.1-177.8-65.2-72.2-84.800113.3V137V137-M139 PolarHBondContact O-N 3.32Å
140N51Low43.8Very low136 Ų136147.5 Ų147.573%0.72775%0.748SS**THydrogen-bonded Turntrans-104.1-1.1-165.9-59.62.2000113.6P138P138-N140 PolarHBondContact O-N 3Å
141E43.7Very low43.9Very low172 Ų172153 Ų15380%0.80478%0.778SS**SBendtrans-96.10.6176.9-80.9178.4163.200114.1D143E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.21Å
142Q44.8Very low44.2Very low156 Ų156150.7 Ų150.773%0.72978%0.778SS**G310 helixtrans-78.3-10.4176.2-91.4175-36.500114.6G144Q142-G144 VanDerWaalsContact C-N 3.3Å; Q142-G144 PolarHBondContact O-N 3.15Å
143D47.7Very low44.6Very low140 Ų140149.1 Ų149.175%0.74977%0.774SS**G310 helixtrans-83.2-0.3179-72.4-22.3000114.2E141E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.21Å
144G42.8Very low44.9Very low56 Ų56147.2 Ų147.258%0.57777%0.773SS**G310 helixtrans-80.2-15.4-173.700000116.7Q142Q142-G144 VanDerWaalsContact C-N 3.3Å; Q142-G144 PolarHBondContact O-N 3.15Å
145Y41.9Very low45.2Very low217 Ų217145.2 Ų145.285%0.85177%0.771SS**  trans-143.749.5-170.7-60.9-82.2000113.8P147Y145-P147 VanDerWaalsContact C-CD 3.42Å; Y145-P147 WeakPolarHBondContact O-CD 3.36Å
146I46.2Very low45.2Very low137 Ų137145.2 Ų145.270%0.70378%0.777SS**  trans-85.295.2155.2-56.6179.4000106.3Q148I146-Q148 PolarHBondContact O-N 3.2Å
147P46.2Very low45.3Very low93 Ų93142.7 Ų142.760%0.60477%0.772SS**  trans-58.7115.4169.923.5-31.5000107.8Y145 L149Y145-P147 VanDerWaalsContact C-CD 3.42Å; Y145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 HydrophobicContact CB-CD1 4.15Å; P147-L149 HydrophobicContact CG-CD1 4.31Å; P147-L149 PolarHBondContact O-N 3.34Å
148Q45.6Very low45.4Very low197 Ų197144.3 Ų144.392%0.92178%0.775SS**  trans-5693.2166-69.2173.210.700107.8I146I146-Q148 PolarHBondContact O-N 3.2Å
149L51.5Low45.5Very low164 Ų164148.6 Ų148.686%0.85979%0.791SS**  trans-118.674.8169.7-84.2153.5000105.6P147P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 HydrophobicContact CB-CD1 4.15Å; P147-L149 HydrophobicContact CG-CD1 4.31Å; P147-L149 PolarHBondContact O-N 3.34Å
150G39.5Very low45.2Very low68 Ų68148.5 Ų148.570%0.70180%0.795SS**  trans-149.978.1176.400000109
151D41.1Very low44.6Very low246 Ų246149.6 Ų149.6100%1.31680%0.801SS**  trans-120.70147.8-77.8-30.5000107

Retrieved 151 of 151 residues in 447.7 ms (Link to these results)