A0A087XIP6_POEFO Loading...

Somatostatin 1, tandem duplicate 1

Somatostatin inhibits the release of somatotropin.

AlphaFold DB (A0A3B3VVS5), UniProt , Accession A0A087XIP6, 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
1M53.3Low71.1Confident228 Ų228124.2 Ų124.2100%1.12365%0.645SS**  0130-65.2172.1134.800114.9
2K57Low72.7Confident192 Ų192123 Ų12384%0.83564%0.639SS**  trans-93.8-20.7-178.3-67.4167.7173.6140.50114.2
3M57.8Low74.1Confident152 Ų152121.7 Ų121.775%0.74963%0.632SS**Hα-helixtrans-78.1-33.3-176-65.3-98.169.500113.6S5 S6 L7M3-S5 VanDerWaalsContact C-N 3.29Å; M3-S5 PolarHBondContact O-N 3.24Å; M3-S6 PolarHBondContact O-N 3.11Å; M3-L7 PolarHBondContact O-N 3Å
4L59.1Low75.4Confident138 Ų138121.5 Ų121.572%0.72363%0.632SS**Hα-helixtrans-67.6-30178.1-74.394.2000112.4S8L4-S8 WeakPolarHBondContact O-CB 3.38Å; L4-S8 PolarHBondContact O-N 3.1Å; L4-S8 VanDerWaalsContact O-N 3.11Å
5S62.8Low76.6Confident79 Ų79121.1 Ų121.155%0.55263%0.63SS**Hα-helixtrans-67.9-40.2176168.50000112M3 L9M3-S5 VanDerWaalsContact C-N 3.29Å; M3-S5 PolarHBondContact O-N 3.24Å; S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 PolarHBondContact O-N 3.09Å
6S71.3Confident77.5Confident42 Ų42120.7 Ų120.729%0.29463%0.628SS.*Hα-helixtrans-69.2-39178.8-171.70000112.5M3 L9 R10M3-S6 PolarHBondContact O-N 3.11Å; S6-L9 PolarHBondContact O-N 3.49Å; S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.25Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.01Å
7L77.4Confident78.4Confident119 Ų119120.4 Ų120.462%0.62363%0.627SS**Hα-helixtrans-66.7-44.6176.5-173.768.7000111.3M3 L9 R10 C11M3-L7 PolarHBondContact O-N 3Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.47Å; L7-R10 PolarHBondContact O-N 3.05Å; L7-C11 PolarHBondContact O-N 3.17Å
8S81Confident79Confident80 Ų80116.9 Ų116.956%0.55962%0.615SS**Hα-helixtrans-61.2-39.6176.6-172.10000112.2L4 C11 L12L4-S8 WeakPolarHBondContact O-CB 3.38Å; L4-S8 PolarHBondContact O-N 3.1Å; L4-S8 VanDerWaalsContact O-N 3.11Å; S8-C11 PolarHBondContact O-N 3.35Å; S8-L12 WeakPolarHBondContact O-CB 3.21Å; S8-L12 PolarHBondContact O-N 3Å
9L85.2Confident79.6Confident101 Ų101116.1 Ų116.153%0.52961%0.61SS.*Hα-helixtrans-70.3-39.5179.6-171.4141.5000111.8S5 S6 L7 L12 L13S5-L9 VanDerWaalsContact O-CB 3.27Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 PolarHBondContact O-N 3.09Å; S6-L9 PolarHBondContact O-N 3.49Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L13 HydrophobicContact CD2-CD1 3.6Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å
10R87.8Confident80Confident162 Ų162113.1 Ų113.161%0.61160%0.599SS**Hα-helixtrans-64-42.7172.8-71.7171-174.1-1150.4111.7S6 L7 L13 L14S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.25Å; S6-R10 WeakPolarHBondContact O-CG 3.46Å; S6-R10 PolarHBondContact O-N 3.01Å; L7-R10 PolarHBondContact O-N 3.05Å; R10-L13 PolarHBondContact O-N 3.27Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.16Å
11C88.9Confident80Confident73 Ų73110.1 Ų110.149%0.49359%0.59SS.*Hα-helixtrans-62.8-42175.2-78.50000112.2L7 S8 L14 L15L7-C11 PolarHBondContact O-N 3.17Å; S8-C11 PolarHBondContact O-N 3.35Å; C11-L14 PolarHBondContact O-N 3.28Å; C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 PolarHBondContact O-N 3.29Å
12L90.6Very high81.2Confident110 Ų110102.5 Ų102.558%0.57656%0.56SS**Hα-helixtrans-62.8-44.2177.1-164.399.3000111.4S8 L9 L15 L16S8-L12 WeakPolarHBondContact O-CB 3.21Å; S8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.45Å
13L90.9Very high82.1Confident106 Ų10698.5 Ų98.556%0.55555%0.546SS*.Hα-helixtrans-61.1-45.2176.5-82.1161.2000112.3L9 R10 L15 L16 L17L9-L13 HydrophobicContact CD2-CD1 3.6Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å; R10-L13 PolarHBondContact O-N 3.27Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 2.83Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.97Å
14L92.1Very high82.9Confident119 Ų11995.1 Ų95.162%0.62354%0.538SS*.Hα-helixtrans-64.1-39.4177.8-70.5174.2000111.9R10 C11 L17 S18R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.43Å; R10-L14 PolarHBondContact O-N 3.16Å; C11-L14 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 3.48Å
15L93.5Very high83Confident116 Ų11692.6 Ų92.661%0.60753%0.531SS*.Hα-helixtrans-63.5-45.6175.9-174.768.6000110.9C11 L12 L13 L17 S18 L19C11-L15 WeakPolarHBondContact O-CB 3.34Å; C11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.42Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.91Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.49Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 3.02Å
16L91.9Very high83Confident114 Ų11492.7 Ų92.760%0.59753%0.531SS*.Hα-helixtrans-61.8-43.2179.1-138.376000111.8L12 L13 L19 S20L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.21Å
17L92.6Very high82.3Confident115 Ų11592.9 Ų92.960%0.60253%0.533SS*.Hα-helixtrans-65-38.5177.4-175.262.5000112.3L13 L14 L15 L19 S20 A21L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 3.3Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.35Å; L17-S20 WeakPolarHBondContact CA-OG 3.38Å; L17-S20 PolarHBondContact O-OG 2.79Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.36Å
18S89.6Confident81.1Confident59 Ų5990 Ų9041%0.41353%0.526SS..Hα-helixtrans-66.5-35.8176.375.50000112.4L14 L15 S22L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-OG 3.44Å; S18-S22 WeakPolarHBondContact O-CB 3.42Å; S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 3.33Å
19L90.2Very high79.8Confident100 Ų10089.3 Ų89.352%0.52453%0.525SS..Hα-helixtrans-73-43.5-179.8-173.261.9000110.9L15 L16 L17 S22 I23L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 3.02Å; L16-L19 PolarHBondContact O-N 2.84Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 3.35Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-I23 HydrophobicContact CD1-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 VanDerWaalsContact O-CG1 3.28Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.86Å
20S86.1Confident78.3Confident57 Ų5791.2 Ų91.240%0.39953%0.531SS..Hα-helixtrans-62.7-43.4175.561.60000111.6L16 L17 S22 I23 S24L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.21Å; L17-S20 WeakPolarHBondContact CA-OG 3.38Å; L17-S20 PolarHBondContact O-OG 2.79Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.75Å; S20-I23 PolarHBondContact O-N 3.47Å; S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 PolarHBondContact O-OG 3.05Å
21A80.7Confident76.8Confident50 Ų5091.6 Ų91.641%0.41353%0.533SS..Hα-helixtrans-58.8-43.8174.900000112L17 I23 S24 C25L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.36Å; A21-I23 PolarHBondContact O-N 2.89Å; A21-S24 PolarHBondContact O-N 3.47Å; A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.29Å
22S78.8Confident75.3Confident68 Ų6891.3 Ų91.348%0.47653%0.526SS..Hα-helixtrans-64.9-39.5179.5-600000112.9S18 L19 S20 S26S18-S22 WeakPolarHBondContact O-CB 3.42Å; S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 3.33Å; L19-S22 PolarHBondContact O-N 3.45Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.75Å; S22-S26 WeakPolarHBondContact O-CB 3.15Å; S22-S26 PolarHBondContact O-N 3.48Å; S22-S26 VanDerWaalsContact O-N 3.09Å; S22-S26 PolarHBondContact O-OG 3.16Å
23I76.4Confident73.8Confident108 Ų10889.6 Ų89.655%0.55452%0.524SS*.Hα-helixtrans-67.2-44177-66.2164.6000110.3L19 S20 A21 S26 S27L19-I23 HydrophobicContact CD1-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 4.06Å; L19-I23 VanDerWaalsContact O-CG1 3.28Å; L19-I23 WeakPolarHBondContact O-CG1 3.39Å; L19-I23 PolarHBondContact O-N 2.86Å; S20-I23 PolarHBondContact O-N 3.47Å; A21-I23 PolarHBondContact O-N 2.89Å; I23-S26 PolarHBondContact O-N 2.97Å; I23-S27 WeakPolarHBondContact O-CB 3.42Å; I23-S27 PolarHBondContact O-N 3.13Å
24S74Confident72.3Confident81 Ų8191.6 Ų91.657%0.56653%0.528SS*.Hα-helixtrans-62.9-43.8177.2-65.60000112.4S20 A21 S26 S27 A28S20-S24 WeakPolarHBondContact O-CB 3.37Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 PolarHBondContact O-OG 3.05Å; A21-S24 PolarHBondContact O-N 3.47Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-S26 PolarHBondContact O-N 2.82Å; S24-S27 PolarHBondContact O-N 3.21Å; S24-A28 PolarHBondContact O-N 3.45Å
25C62Low70.8Confident86 Ų8690.7 Ų90.758%0.58152%0.523SS*.Hα-helixtrans-63.3-39176.6-700000112.5A21 A29A21-C25 WeakPolarHBondContact O-CB 3.28Å; A21-C25 PolarHBondContact O-N 2.95Å; A21-C25 PolarHBondContact O-SG 3.29Å; C25-A29 WeakPolarHBondContact O-CB 3.47Å; C25-A29 PolarHBondContact O-N 3.18Å
26S61.1Low69.3Low81 Ų8192.9 Ų92.957%0.56652%0.523SS*.Hα-helixtrans-67.9-38.6177.9-58.20000111.8S22 I23 S24 Q30S22-S26 WeakPolarHBondContact O-CB 3.15Å; S22-S26 PolarHBondContact O-N 3.48Å; S22-S26 VanDerWaalsContact O-N 3.09Å; S22-S26 PolarHBondContact O-OG 3.16Å; I23-S26 PolarHBondContact O-N 2.97Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-S26 PolarHBondContact O-N 2.82Å; S26-Q30 WeakPolarHBondContact O-CB 3.39Å; S26-Q30 PolarHBondContact O-N 3.35Å; S26-Q30 VanDerWaalsContact O-N 3.08Å
27S57.4Low68Low46 Ų4693.3 Ų93.332%0.32253%0.526SS..Hα-helixtrans-67-41.7176.7-166.30000112.2I23 S24 R31I23-S27 WeakPolarHBondContact O-CB 3.42Å; I23-S27 PolarHBondContact O-N 3.13Å; S24-S27 PolarHBondContact O-N 3.21Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 2.77Å; S27-R31 PolarHBondContact OG-NH1 3.08Å
28A53.3Low66.7Low58 Ų5893 Ų9348%0.47952%0.524SS..Hα-helixtrans-65.4-45176.200000112.5S24 Q30 R31 D32S24-A28 PolarHBondContact O-N 3.45Å; A28-Q30 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.25Å; A28-D32 PolarHBondContact O-N 3.12Å
29A52.5Low65.3Low65 Ų6595.3 Ų95.354%0.53753%0.531SS..Hα-helixtrans-65.8-35.217900000113C25C25-A29 WeakPolarHBondContact O-CB 3.47Å; C25-A29 PolarHBondContact O-N 3.18Å
30Q53.2Low63.8Low142 Ų14298.3 Ų98.366%0.66454%0.542SS*.Hα-helixtrans-71.9-35177.5-167.2-179.4-68.200112.5S26 A28 S33S26-Q30 WeakPolarHBondContact O-CB 3.39Å; S26-Q30 PolarHBondContact O-N 3.35Å; S26-Q30 VanDerWaalsContact O-N 3.08Å; A28-Q30 PolarHBondContact O-N 3.44Å; Q30-S33 PolarHBondContact O-OG 2.85Å
31R56.3Low62.4Low169 Ų169105.4 Ų105.464%0.63856%0.56SS**Hα-helixtrans-66.6-40.9176.9-74.5-170.6-172106.4-5112.1S27 A28 K34 L35S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 2.77Å; S27-R31 PolarHBondContact OG-NH1 3.08Å; A28-R31 PolarHBondContact O-N 3.25Å; R31-K34 PolarHBondContact O-N 3.34Å; R31-L35 WeakPolarHBondContact O-CB 3.29Å; R31-L35 PolarHBondContact O-N 3.01Å
32D57.5Low61.1Low68 Ų68106.7 Ų106.736%0.36456%0.563SS.*Hα-helixtrans-65.9-44.1-175.5-170.4-3.1000112.2A28 K34 L35 R36A28-D32 PolarHBondContact O-N 3.12Å; D32-K34 PolarHBondContact O-N 3.31Å; D32-L35 PolarHBondContact O-N 3.19Å; D32-R36 VanDerWaalsContact CG-NH2 3.32Å; D32-R36 VanDerWaalsContact O-CB 3.28Å; D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 PolarHBondContact O-N 3.45Å; D32-R36 IonicContact OD1-CZ 3.44Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 PolarHBondContact OD1-NE 3.06Å; D32-R36 IonicContact OD1-NH2 2.77Å; D32-R36 PolarHBondContact OD1-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.74Å; D32-R36 IonicContact OD2-NH2 3.33Å; D32-R36 PolarHBondContact OD2-NH2 3.05Å
33S59.7Low59.9Low74 Ų74108.2 Ų108.252%0.51757%0.571SS.*Hα-helixtrans-64.3-41178.659.40000113.5Q30 L37Q30-S33 PolarHBondContact O-OG 2.85Å; S33-L37 WeakPolarHBondContact O-CB 3.4Å; S33-L37 PolarHBondContact O-N 2.97Å; S33-L37 VanDerWaalsContact O-N 3.17Å
34K60.1Low58.8Low147 Ų147110.9 Ų110.964%0.63959%0.586SS**Hα-helixtrans-73-41.4177.5-115.1-172.8176.9174.10112.2R31 D32 L37 L38R31-K34 PolarHBondContact O-N 3.34Å; D32-K34 PolarHBondContact O-N 3.31Å; K34-L37 PolarHBondContact O-N 2.89Å; K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.02Å
35L60.2Low57.9Low101 Ų101113.9 Ų113.953%0.52960%0.595SS.*Hα-helixtrans-65.3-44177.5-17471.7000111R31 D32 L37 L38 L39R31-L35 WeakPolarHBondContact O-CB 3.29Å; R31-L35 PolarHBondContact O-N 3.01Å; D32-L35 PolarHBondContact O-N 3.19Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.02Å; L35-L39 HydrophobicContact CD1-CD1 4.44Å; L35-L39 HydrophobicContact CD1-CG 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.87Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.44Å
36R61Low57.4Low161 Ų161114.1 Ų114.161%0.60860%0.597SS**Hα-helixtrans-60.6-40.5174.5-86.1-165.2-99.6-173.9-9112.5D32 L38 H40D32-R36 VanDerWaalsContact CG-NH2 3.32Å; D32-R36 VanDerWaalsContact O-CB 3.28Å; D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 PolarHBondContact O-N 3.45Å; D32-R36 IonicContact OD1-CZ 3.44Å; D32-R36 IonicContact OD1-NE 2.75Å; D32-R36 PolarHBondContact OD1-NE 3.06Å; D32-R36 IonicContact OD1-NH2 2.77Å; D32-R36 PolarHBondContact OD1-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.74Å; D32-R36 IonicContact OD2-NH2 3.33Å; D32-R36 PolarHBondContact OD2-NH2 3.05Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-H40 WeakPolarHBondContact O-CB 3.48Å; R36-H40 PolarHBondContact O-N 3.44Å
37L65.2Low57.1Low124 Ų124115.3 Ų115.365%0.64961%0.605SS**Hα-helixtrans-64-39.6176.8-162.796000111.8S33 K34 L35 R41S33-L37 WeakPolarHBondContact O-CB 3.4Å; S33-L37 PolarHBondContact O-N 2.97Å; S33-L37 VanDerWaalsContact O-N 3.17Å; K34-L37 PolarHBondContact O-N 2.89Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3Å; L37-R41 WeakPolarHBondContact O-CB 3.37Å; L37-R41 PolarHBondContact O-N 3.47Å
38L64.9Low56.9Low108 Ų108122.9 Ų122.957%0.56563%0.633SS**Hα-helixtrans-71.1-45.6177.8-69173.9000111.8K34 L35 R36 H40 R41 T42K34-L38 WeakPolarHBondContact O-CG 3.38Å; K34-L38 PolarHBondContact O-N 3.02Å; L35-L38 PolarHBondContact O-N 3.02Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.32Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.05Å; L38-R41 PolarHBondContact O-N 3.46Å; L38-R41 VanDerWaalsContact O-N 3.09Å; L38-T42 PolarHBondContact O-N 3.28Å; L38-T42 VanDerWaalsContact O-N 3.1Å; L38-T42 PolarHBondContact O-OG1 3.02Å
39L60.6Low56.9Low108 Ų108127 Ų12757%0.56564%0.642SS**Hα-helixtrans-63.3-35.8177-74.3174.1000112.9L35 R41 T42 P43L35-L39 HydrophobicContact CD1-CD1 4.44Å; L35-L39 HydrophobicContact CD1-CG 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.87Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CB 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.44Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.01Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-OG1 2.82Å; L39-T42 VanDerWaalsContact O-OG1 3.05Å; L39-P43 WeakPolarHBondContact O-CD 3.46Å
40H59.3Low56.8Low163 Ų163126.6 Ų126.676%0.75563%0.631SS**Hα-helixtrans-73.2-21.9175.6-168.8-78.6000112.2R36 L38 P43R36-H40 WeakPolarHBondContact O-CB 3.48Å; R36-H40 PolarHBondContact O-N 3.44Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.05Å; H40-P43 WeakPolarHBondContact O-CD 3.31Å
41R56.2Low56.8Low206 Ų206123.2 Ų123.278%0.77763%0.627SS**Hα-helixtrans-90.9-20.6-179.2-161.7174.6-179.994.40.5113.1L37 L38 L39L37-R41 WeakPolarHBondContact O-CB 3.37Å; L37-R41 PolarHBondContact O-N 3.47Å; L38-R41 PolarHBondContact O-N 3.46Å; L38-R41 VanDerWaalsContact O-N 3.09Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.01Å
42T53.8Low56.7Low76 Ų76119 Ų11947%0.46662%0.623SS.*G310 helixtrans-79.1-14.1-17935.20000118.4L38 L39 L44L38-T42 PolarHBondContact O-N 3.28Å; L38-T42 VanDerWaalsContact O-N 3.1Å; L38-T42 PolarHBondContact O-OG1 3.02Å; L39-T42 WeakPolarHBondContact CA-OG1 3.46Å; L39-T42 PolarHBondContact O-OG1 2.82Å; L39-T42 VanDerWaalsContact O-OG1 3.05Å; T42-L44 PolarHBondContact O-N 3.09Å; T42-L44 VanDerWaalsContact O-N 3.11Å
43P53.2Low56.8Low101 Ų101123.7 Ų123.766%0.65664%0.636SS**G310 helixtrans-74.2-6.4-17428.9-32000114.1L39 H40L39-P43 WeakPolarHBondContact O-CD 3.46Å; H40-P43 WeakPolarHBondContact O-CD 3.31Å
44L53.5Low56.8Low163 Ų163122.9 Ų122.985%0.85363%0.631SS**G310 helixtrans-107.4-4.3-177-83.7169.1000115.6T42T42-L44 PolarHBondContact O-N 3.09Å; T42-L44 VanDerWaalsContact O-N 3.11Å
45L54.8Low56.9Low144 Ų144118.8 Ų118.875%0.75462%0.62SS**THydrogen-bonded Turntrans-127.810.1-176.3-140.271.7000114.7S47L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.45Å
46S52.5Low57.2Low92 Ų92119 Ų11964%0.64362%0.622SS**  trans-85.671.4179.4-1670000111.3
47S53.1Low57.8Low105 Ų105113.7 Ų113.773%0.73461%0.612SS**SBendtrans-12696.6170.3173.70000107.7L45 Q49L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.45Å; S47-Q49 PolarHBondContact O-N 3.33Å
48K53.2Low58.1Low206 Ų206114 Ų11490%0.89661%0.61SS**SBendtrans79.2-24.9163.8-109.1175.5173.8-178.30120.9
49Q53.5Low58.5Low143 Ų143114.1 Ų114.167%0.66861%0.611SS**SBendtrans-99.6-13.9-178-136.2-177.336.600114.9S47 S52S47-Q49 PolarHBondContact O-N 3.33Å; Q49-S52 PolarHBondContact O-OG 2.97Å
50D50.9Low59.1Low57 Ų57113.4 Ų113.431%0.30561%0.607SS.*SBendtrans-88.4-16.4-174.3-75.4-44000114.6S52 R53 S54D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.94Å; D50-R53 PolarHBondContact O-N 3.28Å; D50-R53 VanDerWaalsContact O-N 3.17Å; D50-S54 WeakPolarHBondContact O-CB 3.45Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3Å; D50-S54 VanDerWaalsContact O-OG 3.06Å
51A52.7Low59.8Low71 Ų71110.8 Ų110.859%0.58760%0.598SS**Hα-helixtrans-62.6-32.4-179.400000112.9S54 S55A51-S54 WeakPolarHBondContact CA-OG 3.46Å; A51-S54 PolarHBondContact O-OG 3.42Å; A51-S54 VanDerWaalsContact O-OG 3.1Å; A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.23Å
52S55.7Low60.4Low80 Ų80104.2 Ų104.256%0.55958%0.584SS**Hα-helixtrans-82.7-25177.558.60000113.4Q49 D50 S55 L56Q49-S52 PolarHBondContact O-OG 2.97Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.94Å; S52-S55 WeakPolarHBondContact CA-OG 3.5Å; S52-S55 PolarHBondContact O-OG 3.4Å; S52-L56 PolarHBondContact O-N 3.02Å
53R58.5Low61.1Low168 Ų168105.1 Ų105.163%0.63459%0.585SS**Hα-helixtrans-82.8-36.4174.6-76-175.5162139-1.7111.6D50 L56 A57D50-R53 PolarHBondContact O-N 3.28Å; D50-R53 VanDerWaalsContact O-N 3.17Å; R53-L56 PolarHBondContact O-N 2.95Å; R53-A57 WeakPolarHBondContact O-CB 3.5Å; R53-A57 PolarHBondContact O-N 3.28Å
54S60.3Low61.7Low57 Ų57105.1 Ų105.140%0.39958%0.58SS.*Hα-helixtrans-66.8-40.1172.365.40000111D50 A51 L56 A57 E58D50-S54 WeakPolarHBondContact O-CB 3.45Å; D50-S54 PolarHBondContact O-N 3.39Å; D50-S54 PolarHBondContact O-OG 3Å; D50-S54 VanDerWaalsContact O-OG 3.06Å; A51-S54 WeakPolarHBondContact CA-OG 3.46Å; A51-S54 PolarHBondContact O-OG 3.42Å; A51-S54 VanDerWaalsContact O-OG 3.1Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.81Å; S54-A57 PolarHBondContact O-N 3.3Å; S54-E58 WeakPolarHBondContact O-CB 3.26Å; S54-E58 WeakPolarHBondContact O-CG 3.26Å; S54-E58 PolarHBondContact O-N 3.09Å
55S61.7Low62.2Low61 Ų61102.3 Ų102.343%0.42757%0.565SS.*Hα-helixtrans-65.2-36.7176.368.40000112.7A51 S52 L59A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-S55 VanDerWaalsContact O-N 3.16Å; A51-S55 PolarHBondContact O-OG 3.23Å; S52-S55 WeakPolarHBondContact CA-OG 3.5Å; S52-S55 PolarHBondContact O-OG 3.4Å; S55-L59 WeakPolarHBondContact O-CB 3.28Å; S55-L59 PolarHBondContact O-N 3.46Å
56L67.2Low62.6Low106 Ų106101.2 Ų101.256%0.55556%0.556SS**Hα-helixtrans-69.6-43175.3-169.8160.4000110.8S52 R53 S54 E58 L59 L60S52-L56 PolarHBondContact O-N 3.02Å; R53-L56 PolarHBondContact O-N 2.95Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.81Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.08Å; L56-L59 PolarHBondContact O-N 3.4Å; L56-L60 HydrophobicContact CD2-CD1 3.45Å; L56-L60 VanDerWaalsContact CD2-CD1 3.45Å; L56-L60 HydrophobicContact CD2-CG 3.95Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.05Å
57A73.9Confident62.8Low49 Ų49102.5 Ų102.541%0.40555%0.553SS.*Hα-helixtrans-63-39.5176.300000112.1R53 S54 L61R53-A57 WeakPolarHBondContact O-CB 3.5Å; R53-A57 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å
58E71.1Confident62.9Low131 Ų131103.8 Ų103.861%0.61255%0.547SS*.Hα-helixtrans-63.9-44173.7-79178.9-176.900111.6S54 L56 L60 L61 S62S54-E58 WeakPolarHBondContact O-CB 3.26Å; S54-E58 WeakPolarHBondContact O-CG 3.26Å; S54-E58 PolarHBondContact O-N 3.09Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.08Å; E58-L60 PolarHBondContact O-N 3.42Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; E58-L61 VanDerWaalsContact O-N 3.16Å; E58-S62 PolarHBondContact O-N 3.16Å; E58-S62 PolarHBondContact O-OG 2.97Å; E58-S62 VanDerWaalsContact O-OG 3.13Å
59L72.7Confident63Low109 Ų10998.7 Ų98.757%0.57153%0.53SS*.Hα-helixtrans-64.4-40.8178.9-164.7130.5000112.3S55 L56 L61 S62 D63S55-L59 WeakPolarHBondContact O-CB 3.28Å; S55-L59 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.4Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-S62 PolarHBondContact O-N 3.46Å; L59-D63 PolarHBondContact O-N 3.49Å
60L73.8Confident63Low93 Ų9398.6 Ų98.649%0.48753%0.53SS..Hα-helixtrans-67.2-34.6173.5-69.1179.4000112.4L56 E58 L64L56-L60 HydrophobicContact CD2-CD1 3.45Å; L56-L60 VanDerWaalsContact CD2-CD1 3.45Å; L56-L60 HydrophobicContact CD2-CG 3.95Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.05Å; E58-L60 PolarHBondContact O-N 3.42Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.25Å; L60-L64 VanDerWaalsContact O-N 3.12Å
61L73.7Confident63.1Low108 Ų10898.6 Ų98.657%0.56554%0.538SS*.Hα-helixtrans-66.7-41.2172.9-111.568.7000111A57 E58 L59 L64 L65A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.03Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; E58-L61 VanDerWaalsContact O-N 3.16Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å
62S67.8Low63Low69 Ų69100.4 Ų100.448%0.48354%0.537SS..Hα-helixtrans-62-44.8176-64.70000111.9E58 L59 L64 L65 Q66E58-S62 PolarHBondContact O-N 3.16Å; E58-S62 PolarHBondContact O-OG 2.97Å; E58-S62 VanDerWaalsContact O-OG 3.13Å; L59-S62 PolarHBondContact O-N 3.46Å; S62-L64 PolarHBondContact O-N 2.7Å; S62-L65 PolarHBondContact O-N 3.37Å; S62-Q66 VanDerWaalsContact O-CB 3.27Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.03Å
63D69.6Low62.8Low94 Ų94103.8 Ų103.850%0.50354%0.544SS..Hα-helixtrans-61.9-41.6176.5-86.60.8000112.1L59 Q66 M67L59-D63 PolarHBondContact O-N 3.49Å; D63-Q66 PolarHBondContact O-N 2.97Å; D63-M67 WeakPolarHBondContact O-CB 3.44Å; D63-M67 PolarHBondContact O-N 3.47Å
64L66.7Low62.4Low102 Ų102104.2 Ų104.253%0.53455%0.553SS.*Hα-helixtrans-68.2-40.4177.4-71.1177.7000112.4L60 L61 S62 Q66 M67 E68L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.25Å; L60-L64 VanDerWaalsContact O-N 3.12Å; L61-L64 PolarHBondContact O-N 3.28Å; S62-L64 PolarHBondContact O-N 2.7Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-M67 HydrophobicContact CD2-CE 3.81Å; L64-M67 PolarHBondContact O-N 3.33Å; L64-E68 PolarHBondContact O-N 3.28Å
65L63.4Low61.9Low104 Ų104108.7 Ų108.755%0.54557%0.573SS.*Hα-helixtrans-67.6-35.3176-71.6175000111.7L61 S62 E68 N69L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å; S62-L65 PolarHBondContact O-N 3.37Å; L65-E68 PolarHBondContact O-N 3Å; L65-N69 PolarHBondContact O-N 3.46Å
66Q63.5Low61.2Low120 Ų120108.4 Ų108.456%0.56158%0.579SS**Hα-helixtrans-68.5-41176.6-172.5161.9-5.900111.5S62 D63 L64 N69 E70S62-Q66 VanDerWaalsContact O-CB 3.27Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.03Å; D63-Q66 PolarHBondContact O-N 2.97Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; Q66-N69 WeakPolarHBondContact O-CB 3.32Å; Q66-N69 PolarHBondContact O-N 2.98Å; Q66-E70 PolarHBondContact O-N 3.33Å
67M57Low60Low119 Ų119114.1 Ų114.159%0.58660%0.6SS**Hα-helixtrans-65.1-38173.6-177.5-175.963.300112.7D63 L64 N69 E70 A71D63-M67 WeakPolarHBondContact O-CB 3.44Å; D63-M67 PolarHBondContact O-N 3.47Å; L64-M67 HydrophobicContact CD2-CE 3.81Å; L64-M67 PolarHBondContact O-N 3.33Å; M67-N69 VanDerWaalsContact C-N 3.31Å; M67-E70 PolarHBondContact O-N 3.41Å; M67-A71 PolarHBondContact O-N 2.96Å; M67-A71 VanDerWaalsContact O-N 3.09Å
68E54.1Low58.4Low132 Ų132115.1 Ų115.162%0.61762%0.615SS**Hα-helixtrans-63.4-39.4174-172.3177.9126.500111.3L64 L65 A71 L72L64-E68 PolarHBondContact O-N 3.28Å; L65-E68 PolarHBondContact O-N 3Å; E68-A71 PolarHBondContact O-N 3.32Å; E68-L72 WeakPolarHBondContact O-CB 3.47Å; E68-L72 PolarHBondContact O-N 3.34Å
69N55.5Low57.3Low99 Ų99116.3 Ų116.353%0.52963%0.625SS.*Hα-helixtrans-65.7-42.6175.8-118.36.1000112.1L65 Q66 M67 A71 L72 E73L65-N69 PolarHBondContact O-N 3.46Å; Q66-N69 WeakPolarHBondContact O-CB 3.32Å; Q66-N69 PolarHBondContact O-N 2.98Å; M67-N69 VanDerWaalsContact C-N 3.31Å; N69-A71 VanDerWaalsContact C-N 3.3Å; N69-A71 PolarHBondContact O-N 2.99Å; N69-L72 PolarHBondContact O-N 2.96Å; N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.48Å
70E54.2Low56.1Low141 Ų141116.7 Ų116.766%0.65963%0.634SS**Hα-helixtrans-65.7-31.9177-69.9-169.5167.800112.8Q66 M67 E74Q66-E70 PolarHBondContact O-N 3.33Å; M67-E70 PolarHBondContact O-N 3.41Å; E70-E74 PolarHBondContact O-N 2.96Å
71A52.6Low55.1Low58 Ų58120.8 Ų120.848%0.47965%0.651SS.*Hα-helixtrans-74.9-32.4173.900000113M67 E68 N69M67-A71 PolarHBondContact O-N 2.96Å; M67-A71 VanDerWaalsContact O-N 3.09Å; E68-A71 PolarHBondContact O-N 3.32Å; N69-A71 VanDerWaalsContact C-N 3.3Å; N69-A71 PolarHBondContact O-N 2.99Å
72L49.6Very low53.7Low109 Ų109118.8 Ų118.857%0.57166%0.656SS**Hα-helixtrans-74.7-33.2177.7-169.965.9000112.2E68 N69 E74 D75 G76E68-L72 WeakPolarHBondContact O-CB 3.47Å; E68-L72 PolarHBondContact O-N 3.34Å; N69-L72 PolarHBondContact O-N 2.96Å; L72-E74 VanDerWaalsContact C-N 3.31Å; L72-D75 PolarHBondContact O-N 3.38Å; L72-G76 PolarHBondContact O-N 3.32Å
73E51.7Low52.3Low151 Ų151123.4 Ų123.471%0.70667%0.67SS**Hα-helixtrans-71.2-24.4174-67.1-74.2118.200112.3N69 D75N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.48Å; E73-D75 VanDerWaalsContact C-N 3.34Å
74E51.6Low51.5Low176 Ų176123.8 Ų123.882%0.82268%0.677SS**Hα-helixtrans-70.4-29.9172.3-157.8-148.2154.100112.2E70 L72E70-E74 PolarHBondContact O-N 2.96Å; L72-E74 VanDerWaalsContact C-N 3.31Å
75D48.5Very low50.6Low152 Ų152125.9 Ų125.981%0.81368%0.684SS**SBendtrans-102.18-171.1-141.715.7000113.6L72 E73L72-D75 PolarHBondContact O-N 3.38Å; E73-D75 VanDerWaalsContact C-N 3.34Å
76G48.4Very low49.9Very low55 Ų55127.5 Ų127.557%0.56769%0.694SS**  trans-132.646.2-163.900000117L72 G78L72-G76 PolarHBondContact O-N 3.32Å; G76-G78 PolarHBondContact O-N 3.47Å
77F40.8Very low49.4Very low225 Ų225128.3 Ų128.399%0.98770%0.7SS**  trans-84.3100168.5-126.1-90.3000112
78G39.8Very low49.2Very low70 Ų70131.5 Ų131.572%0.72271%0.706SS**  trans153.583.5155.900000118.2G76G76-G78 PolarHBondContact O-N 3.47Å
79L49.7Very low49.3Very low156 Ų156129.2 Ų129.282%0.81770%0.701SS**  trans-65.4161.1164.2-150.180.4000111.9E81L79-E81 HydrophobicContact CD2-CB 4.25Å
80P46.3Very low49.2Very low117 Ų117129.7 Ų129.776%0.7670%0.703SS**  -144.5131.285.632.8-13.2000113.7
81E52.4Low49.4Very low180 Ų180129.5 Ų129.584%0.84171%0.706SS**  53.2105.496.3-159.5-173.2177.100115.1L79L79-E81 HydrophobicContact CD2-CB 4.25Å
82G44.1Very low49.5Very low65 Ų65133.3 Ų133.367%0.6771%0.714SS**  trans154.9111.8163.600000117
83E40Very low49.8Very low167 Ų167136.9 Ų136.978%0.7872%0.72SS**  trans78.9101.8153.1-47.9-51.49700122.3
84P51.3Low50.1Low101 Ų101133.1 Ų133.166%0.65672%0.715SS**  trans-95.75.4175.335.6-34000117.1
85E49.2Very low50.3Low146 Ų146129 Ų12968%0.68271%0.711SS**SBendtrans-82.3-29.2-167.7-80.1-87.1121.400115.3I87E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.93Å
86D48.5Very low50.6Low139 Ų139126.8 Ų126.874%0.74371%0.707SS**Hα-helixtrans-76.6-21.1-169.6-143.215.9000113.5
87I53.3Low51Low137 Ų137128.9 Ų128.970%0.70371%0.713SS**Hα-helixtrans-80.3-22.5-172.9-56.4169.8000112E85E85-I87 VanDerWaalsContact C-N 3.35Å; E85-I87 PolarHBondContact O-N 2.93Å
88R51.5Low51.6Low185 Ų185121.4 Ų121.470%0.69870%0.699SS**Hα-helixtrans-74.5-36.3-176.3-80.3177.763.7161-2.8113D90 L91R88-D90 PolarHBondContact O-N 2.99Å; R88-L91 PolarHBondContact O-N 3.39Å
89V55.6Low52.1Low85 Ų85124.3 Ų124.352%0.51571%0.706SS.*Hα-helixtrans-72.1-29.4-172.6-176.80000112.7E92V89-E92 VanDerWaalsContact O-CG 3.26Å; V89-E92 WeakPolarHBondContact O-CG 3.41Å
90D54.8Low52.6Low109 Ų109124.5 Ų124.558%0.58371%0.707SS**Hα-helixtrans-78.3-23.5179.5-82.9-28.7000113.6R88R88-D90 PolarHBondContact O-N 2.99Å
91L58.3Low52.9Low136 Ų136127.1 Ų127.171%0.71271%0.714SS**Hα-helixtrans-74.2-34.5-177.4-169.263.1000112.5R88R88-L91 PolarHBondContact O-N 3.39Å
92E54.6Low52.8Low139 Ų139122.8 Ų122.865%0.6571%0.709SS**Hα-helixtrans-74.6-24.5-178.942.8-163.8118.500113.3V89V89-E92 VanDerWaalsContact O-CG 3.26Å; V89-E92 WeakPolarHBondContact O-CG 3.41Å
93R56.3Low53.4Low183 Ų183126.2 Ų126.269%0.69172%0.719SS**Hα-helixtrans-73.3-36175.2-171.5175.4-70.9165.30.8112.7S96R93-S96 PolarHBondContact O-OG 3Å
94A56.5Low54.2Low72 Ų72129.8 Ų129.860%0.59573%0.725SS**Hα-helixtrans-73.5-26.6-173.200000114.3S96A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.34Å
95A55.8Low54Low90 Ų90134 Ų13474%0.74474%0.736SS**THydrogen-bonded Turntrans-73.7-10.5-176.700000114.6
96S54.6Low54.7Low105 Ų105139 Ų13973%0.73475%0.749SS**THydrogen-bonded Turntrans-86.9-3.1-173.665.10000115.5R93 A94R93-S96 PolarHBondContact O-OG 3Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.34Å
97S57.4Low54.9Low99 Ų99142 Ų14269%0.69276%0.755SS**  trans-127.762.7-172.462.40000113.6
98G54.4Low55Low68 Ų68140.6 Ų140.670%0.70176%0.764SS**  trans-82.3142.3170.900000113
99P49.7Very low55.3Low131 Ų131134.9 Ų134.985%0.85176%0.762SS**  trans-104.693.8160.727.2-12.7000110.2
100L60.1Low55.5Low160 Ų160137.2 Ų137.284%0.83878%0.781SS**  trans-105.794.8165.8-75.3-178.8000108.9
101L53.1Low55.7Low173 Ų173140.6 Ų140.691%0.90679%0.79SS**  trans-157.494.4158.3-74.3-170.2000113.7
102A50.5Low55.6Low89 Ų89141.1 Ų141.174%0.73679%0.794SS**  trans59.1147.9137.300000123.6R104A102-R104 PolarHBondContact O-N 3.11Å
103P55.8Low55.6Low136 Ų136142.2 Ų142.288%0.88380%0.797SS**PPolyproline II helixtrans-64.5118.9175.7-18.531.9000112.9
104R56.7Low55.4Low243 Ų243140.6 Ų140.692%0.91780%0.795SS**PPolyproline II helixtrans-86.2122.9-176.3-145.4176.5174.2950.5111.3A102A102-R104 PolarHBondContact O-N 3.11Å
105E47.2Very low55.2Low190 Ų190147.2 Ų147.289%0.88881%0.805SS**PPolyproline II helixtrans-51.4133.7176.4-70-179.9131.800113.1K107E105-K107 PolarHBondContact O-N 3.41Å
106R63.2Low55.3Low250 Ų250151.2 Ų151.294%0.94381%0.806SS**  trans-90.788.2170.5-73.3-170.4171.592.9-0.9110.7
107K52.8Low55.5Low203 Ų203150 Ų15088%0.88379%0.793SS**  trans-162.485.7149.9-131.3179.7-170-167.90111.9E105E105-K107 PolarHBondContact O-N 3.41Å
108A56.9Low55.5Low106 Ų106154.2 Ų154.288%0.87680%0.8SS**  trans-97.5109.9151.100000107.1
109G56.4Low55.8Low65 Ų65158 Ų15867%0.6781%0.81SS**  trans-64.1157.9173.700000112.3K111G109-K111 PolarHBondContact O-N 3.3Å
110C60.2Low55.9Low135 Ų135157.3 Ų157.391%0.91281%0.808SS**SBendtrans-38.5102.7172.8-73.70000113.5
111K59.6Low55.4Low179 Ų179158.8 Ų158.878%0.77883%0.829SS**SBendtrans-163.4-17.9149.3-152.5133170.9174.50116.3G109G109-K111 PolarHBondContact O-N 3.3Å
112N56Low55.6Low147 Ų147158.1 Ų158.179%0.78683%0.825SS**SBendtrans-122.514.1-178.6-66.8-52.2000114.7F114N112-F114 PolarHBondContact O-N 3.46Å
113F54.3Low55.8Low162 Ų162161.7 Ų161.771%0.71183%0.83SS**G310 helixtrans-77.918.7162.2-131.1-90.2000111.9W115F113-W115 VanDerWaalsContact C-N 3.26Å; F113-W115 PolarHBondContact O-N 2.99Å
114F51.1Low55.8Low149 Ų149163.1 Ų163.165%0.65483%0.827SS**G310 helixtrans-80.21179.9-159.4-91.8000113.3N112 K116 T117N112-F114 PolarHBondContact O-N 3.46Å; F114-K116 PolarHBondContact O-N 3.35Å; F114-T117 WeakPolarHBondContact CE1-OG1 3.27Å; F114-T117 VanDerWaalsContact CZ-OG1 3.31Å; F114-T117 WeakPolarHBondContact CZ-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.41Å
115W53.3Low55.8Low211 Ų211158.4 Ų158.480%0.79982%0.822SS**G310 helixtrans-67.24164.564.4-52.6000113.3F113F113-W115 VanDerWaalsContact C-N 3.26Å; F113-W115 PolarHBondContact O-N 2.99Å
116K58.8Low56.3Low175 Ų175156.4 Ų156.476%0.76182%0.818SS**G310 helixtrans-108.337.5171.7-151.6-178.9-168.4178.80113.2F114F114-K116 PolarHBondContact O-N 3.35Å
117T58.6Low55.8Low78 Ų78150.2 Ų150.248%0.47981%0.809SS.*SBendtrans-159.891.8164.242.70000109.3F114F114-T117 WeakPolarHBondContact CE1-OG1 3.27Å; F114-T117 VanDerWaalsContact CZ-OG1 3.31Å; F114-T117 WeakPolarHBondContact CZ-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.41Å
118F55.8Low56.1Low188 Ų188146.4 Ų146.483%0.82580%0.804SS**SBendtrans165.124.3145.4-117.5-90000116.4
119T61.1Low56Low148 Ų148149.5 Ų149.591%0.90880%0.799SS**SBendtrans-126.137.5177.1650000114.7
120S53Low55.9Low116 Ų116156.6 Ų156.681%0.81181%0.809SS**  trans-133.796.8149.376.20000109.4
121C49.7Very low55.6Low191 Ų191158.5 Ų158.5100%1.29180%0.8SS**  trans-106.30149-68.70000106.1

Retrieved 121 of 121 residues in 175.8 ms (Link to these results)