A0A5K4F6J1_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A5K4F6J1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 133 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
1M54.2Low54.3Low243 Ų24389.5 Ų89.5100%1.19745%0.449SS*.  0123.10-136.4173.2171.600106.5
2T51.2Low54.1Low71 Ų7184.3 Ų84.344%0.43642%0.423SS..  trans-68.9130.9-179.9-48.80000108.8K4 L6 E7 Y10T2-K4 PolarHBondContact O-N 3.16Å; T2-L6 HydrophobicContact CG2-CB 3.75Å; T2-E7 HydrophobicContact CG2-CG 4.13Å; T2-Y10 HydrophobicContact CG2-CD2 4.34Å; T2-Y10 HydrophobicContact CG2-CE2 3.92Å
3P53.1Low53.7Low55 Ų5582.6 Ų82.636%0.35742%0.416SS..  trans-56.3137175.6-24.833.7000111C5 L6 E7P3-C5 PolarHBondContact O-N 3.24Å; P3-C5 VanDerWaalsContact O-N 3.08Å; P3-L6 HydrophobicContact CB-CB 4.32Å; P3-L6 HydrophobicContact CB-CD1 4.08Å; P3-L6 HydrophobicContact CG-CD1 3.68Å; P3-L6 WeakPolarHBondContact O-CA 3.47Å; P3-L6 VanDerWaalsContact O-CB 3.28Å; P3-L6 WeakPolarHBondContact O-CB 3.33Å; P3-L6 PolarHBondContact O-N 2.96Å; P3-E7 PolarHBondContact O-N 3.28Å; P3-E7 VanDerWaalsContact O-N 3.09Å
4K58.2Low53.5Low181 Ų18189.1 Ų89.179%0.78744%0.44SS*.Hα-helixtrans-52.8-34-179.7-83.3-176.2173.8179.50113.5T2 L6 E7 K8T2-K4 PolarHBondContact O-N 3.16Å; K4-L6 VanDerWaalsContact C-N 3.35Å; K4-E7 PolarHBondContact O-N 2.7Å; K4-K8 PolarHBondContact O-N 3.11Å; K4-K8 VanDerWaalsContact O-N 3.14Å
5C47.5Very low52.7Low22 Ų2289.6 Ų89.615%0.14944%0.436CS..Hα-helixtrans-65.9-37.6175.91480000112P3 K8 C9 C39P3-C5 PolarHBondContact O-N 3.24Å; P3-C5 VanDerWaalsContact O-N 3.08Å; C5-K8 VanDerWaalsContact O-CB 3.31Å; C5-K8 WeakPolarHBondContact O-CB 3.27Å; C5-K8 PolarHBondContact O-N 2.86Å; C5-C9 PolarHBondContact O-N 2.72Å; C5-C9 VanDerWaalsContact O-N 3.09Å; C5-C9 PolarHBondContact O-SG 2.88Å; C5-C9 VanDerWaalsContact O-SG 3.38Å; C5-C39 HydrophobicContact CB-CB 4.39Å; C5-C39 WeakPolarHBondContact CB-SG 3.23Å; C5-C39 WeakPolarHBondContact SG-CA 3.29Å; C5-C39 WeakPolarHBondContact SG-CB 3.38Å; C5-C39 CovalentContact SG-SG 2.01Å; C5-C39 PolarHBondContact SG-SG 2.99Å
6L53.1Low52Low21 Ų2185.8 Ų85.811%0.1142%0.418CS..Hα-helixtrans-69-41.3175.6-105.2134.2000110.1T2 P3 K4 K8 C9 Y10 N36 C39T2-L6 HydrophobicContact CG2-CB 3.75Å; P3-L6 HydrophobicContact CB-CB 4.32Å; P3-L6 HydrophobicContact CB-CD1 4.08Å; P3-L6 HydrophobicContact CG-CD1 3.68Å; P3-L6 WeakPolarHBondContact O-CA 3.47Å; P3-L6 VanDerWaalsContact O-CB 3.28Å; P3-L6 WeakPolarHBondContact O-CB 3.33Å; P3-L6 PolarHBondContact O-N 2.96Å; K4-L6 VanDerWaalsContact C-N 3.35Å; L6-K8 PolarHBondContact O-N 2.99Å; L6-C9 WeakPolarHBondContact O-CA 3.12Å; L6-C9 WeakPolarHBondContact O-CB 3.15Å; L6-C9 PolarHBondContact O-N 2.83Å; L6-C9 VanDerWaalsContact O-N 3.07Å; L6-Y10 VanDerWaalsContact C-CD2 3.44Å; L6-Y10 HydrophobicContact CB-CD2 4.36Å; L6-Y10 HydrophobicContact CB-CE2 3.96Å; L6-Y10 HydrophobicContact CD2-CD2 4.41Å; L6-Y10 HydrophobicContact CD2-CE2 3.39Å; L6-Y10 WeakPolarHBondContact CD2-OH 3.18Å; L6-Y10 HydrophobicContact CG-CE2 4.3Å; L6-Y10 WeakPolarHBondContact O-CD2 3.08Å; L6-Y10 PolarHBondContact O-N 3.24Å; L6-N36 WeakPolarHBondContact CD2-OD1 3.42Å; L6-N36 WeakPolarHBondContact CG-OD1 3.34Å; L6-C39 HydrophobicContact CD1-CB 4.37Å; L6-C39 HydrophobicContact CG-CB 4.27Å; L6-C39 PolarHBondContact N-SG 3.19Å
7E61Low51.6Low109 Ų10986.5 Ų86.551%0.50942%0.42SS..Hα-helixtrans-56.2-38.4172.4-69.9-179.4162.100112.4T2 P3 K4 Y10 S11T2-E7 HydrophobicContact CG2-CG 4.13Å; P3-E7 PolarHBondContact O-N 3.28Å; P3-E7 VanDerWaalsContact O-N 3.09Å; K4-E7 PolarHBondContact O-N 2.7Å; E7-Y10 PolarHBondContact O-N 3.4Å; E7-S11 WeakPolarHBondContact O-CB 3.35Å; E7-S11 PolarHBondContact O-N 3.49Å; E7-S11 PolarHBondContact O-OG 2.82Å
8K55.4Low51Low94 Ų9489.9 Ų89.941%0.40943%0.432SS..Hα-helixtrans-62.9-47.3172.7-111.4-175.3173.9-166.30111.9K4 C5 L6 Y10 S11 N12 D55K4-K8 PolarHBondContact O-N 3.11Å; K4-K8 VanDerWaalsContact O-N 3.14Å; C5-K8 VanDerWaalsContact O-CB 3.31Å; C5-K8 WeakPolarHBondContact O-CB 3.27Å; C5-K8 PolarHBondContact O-N 2.86Å; L6-K8 PolarHBondContact O-N 2.99Å; K8-Y10 VanDerWaalsContact C-N 3.27Å; K8-Y10 PolarHBondContact O-N 2.77Å; K8-S11 WeakPolarHBondContact CA-OG 3.16Å; K8-S11 PolarHBondContact O-N 2.98Å; K8-S11 VanDerWaalsContact O-N 3.07Å; K8-S11 PolarHBondContact O-OG 3.17Å; K8-N12 PolarHBondContact O-N 3.49Å; K8-D55 IonicContact NZ-OD1 3.41Å; K8-D55 PolarHBondContact NZ-OD1 3Å
9C52.2Low50Low2 Ų291.6 Ų91.61%0.01444%0.435CS..Hα-helixtrans-56.9-42.9173.6-59.90000111.4C5 L6 S11 N12 C35C5-C9 PolarHBondContact O-N 2.72Å; C5-C9 VanDerWaalsContact O-N 3.09Å; C5-C9 PolarHBondContact O-SG 2.88Å; C5-C9 VanDerWaalsContact O-SG 3.38Å; L6-C9 WeakPolarHBondContact O-CA 3.12Å; L6-C9 WeakPolarHBondContact O-CB 3.15Å; L6-C9 PolarHBondContact O-N 2.83Å; L6-C9 VanDerWaalsContact O-N 3.07Å; C9-S11 VanDerWaalsContact C-N 3.29Å; C9-S11 PolarHBondContact O-N 2.8Å; C9-N12 WeakPolarHBondContact O-CB 3.18Å; C9-N12 PolarHBondContact O-N 3.49Å; C9-C35 WeakPolarHBondContact CA-SG 3.32Å; C9-C35 HydrophobicContact CB-CB 3.81Å; C9-C35 WeakPolarHBondContact CB-SG 3.33Å; C9-C35 WeakPolarHBondContact SG-CB 3.37Å; C9-C35 PolarHBondContact SG-O 2.98Å; C9-C35 CovalentContact SG-SG 2.03Å; C9-C35 PolarHBondContact SG-SG 3.14Å
10Y55.5Low49.2Very low111 Ų11188.1 Ų88.144%0.43542%0.42SS..Hα-helixtrans-65.4-28.1175.9-65.4-76.2000114T2 L6 E7 K8 Y32T2-Y10 HydrophobicContact CG2-CD2 4.34Å; T2-Y10 HydrophobicContact CG2-CE2 3.92Å; L6-Y10 VanDerWaalsContact C-CD2 3.44Å; L6-Y10 HydrophobicContact CB-CD2 4.36Å; L6-Y10 HydrophobicContact CB-CE2 3.96Å; L6-Y10 HydrophobicContact CD2-CD2 4.41Å; L6-Y10 HydrophobicContact CD2-CE2 3.39Å; L6-Y10 WeakPolarHBondContact CD2-OH 3.18Å; L6-Y10 HydrophobicContact CG-CE2 4.3Å; L6-Y10 WeakPolarHBondContact O-CD2 3.08Å; L6-Y10 PolarHBondContact O-N 3.24Å; E7-Y10 PolarHBondContact O-N 3.4Å; K8-Y10 VanDerWaalsContact C-N 3.27Å; K8-Y10 PolarHBondContact O-N 2.77Å; Y10-Y32 WeakPolarHBondContact CA-OH 3.07Å; Y10-Y32 AromaticContact CD1-CE1 3.75Å; Y10-Y32 HydrophobicContact CD1-CE1 3.75Å; Y10-Y32 AromaticContact CD1-CZ 3.63Å; Y10-Y32 WeakPolarHBondContact CD1-OH 3.44Å; Y10-Y32 AromaticContact CE1-CE1 3.65Å; Y10-Y32 HydrophobicContact CE1-CE1 3.65Å; Y10-Y32 WeakPolarHBondContact CE1-OH 3.37Å; Y10-Y32 HydrophobicContact CG-CE1 4.41Å
11S55.7Low48.5Very low76 Ų7690.2 Ų90.253%0.53143%0.434SS..Hα-helixtrans-85.3-7.6179.870.60000114.6E7 K8 C9 D13E7-S11 WeakPolarHBondContact O-CB 3.35Å; E7-S11 PolarHBondContact O-N 3.49Å; E7-S11 PolarHBondContact O-OG 2.82Å; K8-S11 WeakPolarHBondContact CA-OG 3.16Å; K8-S11 PolarHBondContact O-N 2.98Å; K8-S11 VanDerWaalsContact O-N 3.07Å; K8-S11 PolarHBondContact O-OG 3.17Å; C9-S11 VanDerWaalsContact C-N 3.29Å; C9-S11 PolarHBondContact O-N 2.8Å; S11-D13 PolarHBondContact O-N 3.05Å; S11-D13 VanDerWaalsContact O-N 3.12Å
12N52.3Low47.5Very low27 Ų2784.4 Ų84.414%0.14441%0.407CS..THydrogen-bonded Turntrans-68.8-10.6-175.2-152.918.3000113.3K8 C9 K14 Y15 M16 I58K8-N12 PolarHBondContact O-N 3.49Å; C9-N12 WeakPolarHBondContact O-CB 3.18Å; C9-N12 PolarHBondContact O-N 3.49Å; N12-K14 PolarHBondContact O-N 3.18Å; N12-K14 VanDerWaalsContact O-N 3.14Å; N12-Y15 WeakPolarHBondContact O-CB 3.5Å; N12-Y15 PolarHBondContact O-N 2.86Å; N12-Y15 WeakPolarHBondContact OD1-CB 3.49Å; N12-M16 PolarHBondContact O-N 2.8Å; N12-M16 VanDerWaalsContact O-N 3.09Å; N12-I58 WeakPolarHBondContact ND2-CG2 3.26Å
13D49.1Very low46.7Very low62 Ų6284.8 Ų84.833%0.33242%0.417SS..Hα-helixtrans-48.1-38.7175-69.7-3.1000113.4S11 M16 E17S11-D13 PolarHBondContact O-N 3.05Å; S11-D13 VanDerWaalsContact O-N 3.12Å; D13-M16 PolarHBondContact O-N 3.19Å; D13-E17 WeakPolarHBondContact O-CB 3.43Å; D13-E17 PolarHBondContact O-N 3.44Å
14K50.4Low45.7Very low173 Ų17384.1 Ų84.175%0.75241%0.413SS*.Hα-helixtrans-69-32.7178-80.2-174.7176.5179.80113.6N12 K18N12-K14 PolarHBondContact O-N 3.18Å; N12-K14 VanDerWaalsContact O-N 3.14Å; K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.45Å; K14-K18 PolarHBondContact O-N 3.48Å
15Y41.3Very low44.5Very low97 Ų9779.3 Ų79.338%0.3840%0.403SS..Hα-helixtrans-71.4-42.6175-163.5-87.6000109.5N12 K18 Y19N12-Y15 WeakPolarHBondContact O-CB 3.5Å; N12-Y15 PolarHBondContact O-N 2.86Å; N12-Y15 WeakPolarHBondContact OD1-CB 3.49Å; Y15-K18 PolarHBondContact O-N 3.3Å; Y15-Y19 AromaticContact CD1-CD2 3.9Å; Y15-Y19 HydrophobicContact CD1-CD2 3.9Å; Y15-Y19 HydrophobicContact CD1-CE2 4.41Å; Y15-Y19 HydrophobicContact CD2-CD2 4.35Å; Y15-Y19 HydrophobicContact CD2-CE2 4.09Å; Y15-Y19 AromaticContact CE1-CD2 3.8Å; Y15-Y19 HydrophobicContact CE1-CD2 3.8Å; Y15-Y19 HydrophobicContact CE1-CE2 4.17Å; Y15-Y19 HydrophobicContact CE2-CD2 4.27Å; Y15-Y19 AromaticContact CE2-CE2 3.84Å; Y15-Y19 HydrophobicContact CE2-CE2 3.84Å; Y15-Y19 HydrophobicContact CG-CD2 4.18Å; Y15-Y19 HydrophobicContact CG-CE2 4.38Å; Y15-Y19 AromaticContact CZ-CD2 4Å; Y15-Y19 AromaticContact CZ-CE2 3.88Å; Y15-Y19 VanDerWaalsContact O-CD2 3.26Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.34Å; Y15-Y19 PolarHBondContact O-N 3.5Å
16M41.5Very low44Very low28 Ų2885.2 Ų85.214%0.13843%0.425CS..Hα-helixtrans-66.1-42.2178.4-66.6-58.7-5700113.4N12 D13 K18 C20 N29 Q31N12-M16 PolarHBondContact O-N 2.8Å; N12-M16 VanDerWaalsContact O-N 3.09Å; D13-M16 PolarHBondContact O-N 3.19Å; M16-K18 VanDerWaalsContact C-N 3.31Å; M16-K18 PolarHBondContact O-N 2.91Å; M16-C20 HydrophobicContact CE-CB 4.08Å; M16-C20 WeakPolarHBondContact O-CA 3.41Å; M16-C20 WeakPolarHBondContact O-CB 3.27Å; M16-C20 PolarHBondContact O-N 2.95Å; M16-N29 WeakPolarHBondContact CE-ND2 3.4Å; M16-Q31 HydrophobicContact SD-CG 4.11Å; M16-Q31 PolarHBondContact SD-OE1 3.44Å
17E45.5Very low43.1Very low98 Ų9896 Ų9646%0.45847%0.465SS..Hα-helixtrans-61-41173.4-102.6176-179.800111.7D13 I22D13-E17 WeakPolarHBondContact O-CB 3.43Å; D13-E17 PolarHBondContact O-N 3.44Å; E17-I22 HydrophobicContact CG-CG1 4.03Å
18K40.7Very low41.9Very low148 Ų14894.5 Ų94.564%0.64347%0.471SS*.Hα-helixtrans-68.4-34.8-176.7-175.6177.9178.1-1640113.1K14 Y15 M16K14-K18 VanDerWaalsContact O-CB 3.31Å; K14-K18 WeakPolarHBondContact O-CB 3.45Å; K14-K18 PolarHBondContact O-N 3.48Å; Y15-K18 PolarHBondContact O-N 3.3Å; M16-K18 VanDerWaalsContact C-N 3.31Å; M16-K18 PolarHBondContact O-N 2.91Å
19Y31.8Very low41.5Very low122 Ų12290.9 Ų90.948%0.47846%0.456SS..Hα-helixtrans-109.8-30.2-171.9-66.6-72.8000114Y15 C66Y15-Y19 AromaticContact CD1-CD2 3.9Å; Y15-Y19 HydrophobicContact CD1-CD2 3.9Å; Y15-Y19 HydrophobicContact CD1-CE2 4.41Å; Y15-Y19 HydrophobicContact CD2-CD2 4.35Å; Y15-Y19 HydrophobicContact CD2-CE2 4.09Å; Y15-Y19 AromaticContact CE1-CD2 3.8Å; Y15-Y19 HydrophobicContact CE1-CD2 3.8Å; Y15-Y19 HydrophobicContact CE1-CE2 4.17Å; Y15-Y19 HydrophobicContact CE2-CD2 4.27Å; Y15-Y19 AromaticContact CE2-CE2 3.84Å; Y15-Y19 HydrophobicContact CE2-CE2 3.84Å; Y15-Y19 HydrophobicContact CG-CD2 4.18Å; Y15-Y19 HydrophobicContact CG-CE2 4.38Å; Y15-Y19 AromaticContact CZ-CD2 4Å; Y15-Y19 AromaticContact CZ-CE2 3.88Å; Y15-Y19 VanDerWaalsContact O-CD2 3.26Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.34Å; Y15-Y19 PolarHBondContact O-N 3.5Å; Y19-C66 PolarHBondContact O-SG 3.48Å
20C34.1Very low41.2Very low22 Ų2292 Ų9215%0.14946%0.464CS..Hα-helixtrans-116.98-168.2-49.70000115.8M16 I22 C66M16-C20 HydrophobicContact CE-CB 4.08Å; M16-C20 WeakPolarHBondContact O-CA 3.41Å; M16-C20 WeakPolarHBondContact O-CB 3.27Å; M16-C20 PolarHBondContact O-N 2.95Å; C20-I22 PolarHBondContact O-N 3.29Å; C20-C66 WeakPolarHBondContact CA-SG 3.43Å; C20-C66 HydrophobicContact CB-CB 4.3Å; C20-C66 WeakPolarHBondContact CB-SG 3.49Å; C20-C66 PolarHBondContact N-SG 2.85Å; C20-C66 VanDerWaalsContact N-SG 3.38Å; C20-C66 WeakPolarHBondContact SG-CB 3.38Å; C20-C66 CovalentContact SG-SG 2.04Å; C20-C66 PolarHBondContact SG-SG 3.46Å
21N34.6Very low40.7Very low133 Ų13387.4 Ų87.471%0.71145%0.446SS*.THydrogen-bonded Turntrans48.960.6170.4-14013.9000114.5A23N21-A23 PolarHBondContact O-N 2.05Å
22I33.4Very low40.3Very low121 Ų12186 Ų8662%0.62143%0.429SS*.THydrogen-bonded Turntrans61.1-20.5157.7-52.6175.7000118.6E17 C20 C24E17-I22 HydrophobicContact CG-CG1 4.03Å; C20-I22 PolarHBondContact O-N 3.29Å; I22-C24 PolarHBondContact O-N 2.05Å
23A34.6Very low40.2Very low79 Ų7988.8 Ų88.865%0.65344%0.44SS*.  trans-72-18.6-164.600000116.1N21 S25N21-A23 PolarHBondContact O-N 2.05Å; A23-S25 PolarHBondContact O-N 2.81Å
24C32.6Very low40.2Very low40 Ų4086.4 Ų86.427%0.2743%0.427SS..SBendtrans-81.2104.1174.5-88.90000110.6I22 K26 N29 D69I22-C24 PolarHBondContact O-N 2.05Å; C24-K26 PolarHBondContact O-N 3.31Å; C24-N29 WeakPolarHBondContact CB-ND2 3.27Å; C24-D69 PolarHBondContact SG-OD2 3.41Å
25S33.2Very low40.1Very low81 Ų8178.4 Ų78.457%0.56639%0.392SS*.  trans-47.1129.6-176.777.10000112.5A23 R27 A28A23-S25 PolarHBondContact O-N 2.81Å; S25-R27 PolarHBondContact O-N 3.43Å; S25-A28 PolarHBondContact O-N 3.37Å; S25-A28 VanDerWaalsContact O-N 3.16Å
26K36.1Very low40.7Very low145 Ų14576 Ų7663%0.6339%0.386SS*.THydrogen-bonded Turntrans-531.5-168.9-74.6-179.5170.6-1780117.6C24C24-K26 PolarHBondContact O-N 3.31Å
27R33.5Very low41.2Very low249 Ų24976.8 Ų76.894%0.9439%0.39SS*.THydrogen-bonded Turntrans-130.6-11.4-176.4-68.4-175.7-178.51780.9115.1S25S25-R27 PolarHBondContact O-N 3.43Å
28A36Very low41.4Very low77 Ų7772.2 Ų72.264%0.63637%0.37SS*.THydrogen-bonded Turntrans-114.35.3-175.200000113.5S25 P30S25-A28 PolarHBondContact O-N 3.37Å; S25-A28 VanDerWaalsContact O-N 3.16Å; A28-P30 WeakPolarHBondContact O-CD 3.34Å
29N46.6Very low42Very low17 Ų1765.2 Ų65.29%0.09134%0.34CS..  trans-73.3125.7-171.3-163.3-25.9000111.2M16 C24 Q31 Y32 F33M16-N29 WeakPolarHBondContact CE-ND2 3.4Å; C24-N29 WeakPolarHBondContact CB-ND2 3.27Å; N29-Q31 PolarHBondContact ND2-OE1 3.49Å; N29-Q31 PolarHBondContact O-N 3.23Å; N29-Q31 VanDerWaalsContact O-N 3.13Å; N29-Q31 PolarHBondContact OD1-N 2.88Å; N29-Q31 PolarHBondContact OD1-OE1 2.79Å; N29-Y32 WeakPolarHBondContact O-CA 3.23Å; N29-Y32 VanDerWaalsContact O-CB 3.25Å; N29-Y32 WeakPolarHBondContact O-CB 3.03Å; N29-Y32 PolarHBondContact O-N 3.32Å; N29-F33 PolarHBondContact O-N 2.79Å
30P46.5Very low43Very low27 Ų2764.4 Ų64.418%0.17534%0.34CS..Hα-helixtrans-50.5-32.7175.111-25.6000113.9A28 Y32 F33 Y34 Y65A28-P30 WeakPolarHBondContact O-CD 3.34Å; P30-Y32 PolarHBondContact O-N 2.83Å; P30-F33 PolarHBondContact O-N 3.36Å; P30-Y34 HydrophobicContact CB-CD2 4.11Å; P30-Y34 HydrophobicContact CB-CE2 3.87Å; P30-Y34 WeakPolarHBondContact O-CD2 3.39Å; P30-Y34 PolarHBondContact O-N 2.94Å; P30-Y65 HydrophobicContact CB-CE1 3.91Å; P30-Y65 WeakPolarHBondContact CB-OH 3.35Å; P30-Y65 HydrophobicContact CG-CD1 3.9Å; P30-Y65 HydrophobicContact CG-CE1 3.19Å
31Q44.5Very low43.8Very low13 Ų1367.2 Ų67.26%0.06135%0.351CS..Hα-helixtrans-53-44.1171.3-84.197.735.800112.1M16 N29 C35 I61M16-Q31 HydrophobicContact SD-CG 4.11Å; M16-Q31 PolarHBondContact SD-OE1 3.44Å; N29-Q31 PolarHBondContact ND2-OE1 3.49Å; N29-Q31 PolarHBondContact O-N 3.23Å; N29-Q31 VanDerWaalsContact O-N 3.13Å; N29-Q31 PolarHBondContact OD1-N 2.88Å; N29-Q31 PolarHBondContact OD1-OE1 2.79Å; Q31-C35 WeakPolarHBondContact O-CB 3.03Å; Q31-C35 PolarHBondContact O-N 3.42Å; Q31-I61 HydrophobicContact CB-CG2 4.23Å; Q31-I61 HydrophobicContact CG-CB 4.09Å; Q31-I61 HydrophobicContact CG-CG2 3.44Å; Q31-I61 VanDerWaalsContact CG-CG2 3.44Å; Q31-I61 PolarHBondContact NE2-O 3.03Å
32Y48.7Very low44.6Very low46 Ų4662.3 Ų62.318%0.1832%0.323CS..Hα-helixtrans-71.1-40.2-177.9-130.7-80.2000111.7Y10 N29 P30 N36Y10-Y32 WeakPolarHBondContact CA-OH 3.07Å; Y10-Y32 AromaticContact CD1-CE1 3.75Å; Y10-Y32 HydrophobicContact CD1-CE1 3.75Å; Y10-Y32 AromaticContact CD1-CZ 3.63Å; Y10-Y32 WeakPolarHBondContact CD1-OH 3.44Å; Y10-Y32 AromaticContact CE1-CE1 3.65Å; Y10-Y32 HydrophobicContact CE1-CE1 3.65Å; Y10-Y32 WeakPolarHBondContact CE1-OH 3.37Å; Y10-Y32 HydrophobicContact CG-CE1 4.41Å; N29-Y32 WeakPolarHBondContact O-CA 3.23Å; N29-Y32 VanDerWaalsContact O-CB 3.25Å; N29-Y32 WeakPolarHBondContact O-CB 3.03Å; N29-Y32 PolarHBondContact O-N 3.32Å; P30-Y32 PolarHBondContact O-N 2.83Å; Y32-N36 VanDerWaalsContact O-CB 3.24Å; Y32-N36 WeakPolarHBondContact O-CB 3.11Å; Y32-N36 PolarHBondContact O-N 3.37Å
33F48.7Very low45.5Very low86 Ų8661.7 Ų61.738%0.37732%0.316SS..Hα-helixtrans-60.7-50.7174.8179.5-97.8000110.7N29 P30 N36 L37N29-F33 PolarHBondContact O-N 2.79Å; P30-F33 PolarHBondContact O-N 3.36Å; F33-N36 PolarHBondContact O-N 3.48Å; F33-L37 HydrophobicContact CE1-CD1 4.33Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 VanDerWaalsContact O-CB 3.29Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 3.16Å
34Y49.1Very low46.3Very low13 Ų1365 Ų655%0.05132%0.323CS..Hα-helixtrans-68.4-39.1-180-70-61.1000113P30 L37 A38 I61 F108 E112P30-Y34 HydrophobicContact CB-CD2 4.11Å; P30-Y34 HydrophobicContact CB-CE2 3.87Å; P30-Y34 WeakPolarHBondContact O-CD2 3.39Å; P30-Y34 PolarHBondContact O-N 2.94Å; Y34-L37 PolarHBondContact O-N 3.11Å; Y34-A38 WeakPolarHBondContact O-CB 3.3Å; Y34-A38 PolarHBondContact O-N 3.11Å; Y34-I61 HydrophobicContact CD2-CD1 3.75Å; Y34-I61 HydrophobicContact CG-CD1 3.86Å; Y34-F108 HydrophobicContact CE1-CB 4.38Å; Y34-F108 HydrophobicContact CE1-CD1 4.36Å; Y34-E112 VanDerWaalsContact OH-CG 3.26Å; Y34-E112 WeakPolarHBondContact OH-CG 3.03Å; Y34-E112 PolarHBondContact OH-OE1 2.78Å; Y34-E112 PolarHBondContact OH-OE2 3.36Å
35C49.5Very low46.8Very low4 Ų468.2 Ų68.23%0.02733%0.334CS..Hα-helixtrans-63.2-44.7174.7-164.70000110.8C9 Q31 C39C9-C35 WeakPolarHBondContact CA-SG 3.32Å; C9-C35 HydrophobicContact CB-CB 3.81Å; C9-C35 WeakPolarHBondContact CB-SG 3.33Å; C9-C35 WeakPolarHBondContact SG-CB 3.37Å; C9-C35 PolarHBondContact SG-O 2.98Å; C9-C35 CovalentContact SG-SG 2.03Å; C9-C35 PolarHBondContact SG-SG 3.14Å; Q31-C35 WeakPolarHBondContact O-CB 3.03Å; Q31-C35 PolarHBondContact O-N 3.42Å; C35-C39 VanDerWaalsContact O-CB 3.23Å; C35-C39 WeakPolarHBondContact O-CB 3.37Å; C35-C39 PolarHBondContact O-N 3.4Å
36N53.1Low47.5Very low46 Ų4669.9 Ų69.925%0.24635%0.353CS..Hα-helixtrans-63.5-43.2173.7-90.9-16.7000112.7L6 Y32 F33 C39 E40L6-N36 WeakPolarHBondContact CD2-OD1 3.42Å; L6-N36 WeakPolarHBondContact CG-OD1 3.34Å; Y32-N36 VanDerWaalsContact O-CB 3.24Å; Y32-N36 WeakPolarHBondContact O-CB 3.11Å; Y32-N36 PolarHBondContact O-N 3.37Å; F33-N36 PolarHBondContact O-N 3.48Å; N36-C39 WeakPolarHBondContact O-CB 3.4Å; N36-C39 PolarHBondContact O-N 3.39Å; N36-E40 WeakPolarHBondContact O-CB 2.85Å; N36-E40 PolarHBondContact O-N 3.4Å
37L51.4Low48Very low45 Ų4565.5 Ų65.524%0.23634%0.34CS..Hα-helixtrans-62.4-45.1-178.8-15688.5000110.9F33 Y34 C39 E40 H41 A105F33-L37 HydrophobicContact CE1-CD1 4.33Å; F33-L37 HydrophobicContact CZ-CD1 4.03Å; F33-L37 VanDerWaalsContact O-CB 3.29Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 3.16Å; Y34-L37 PolarHBondContact O-N 3.11Å; L37-C39 VanDerWaalsContact C-N 3.34Å; L37-E40 PolarHBondContact O-N 3.11Å; L37-H41 WeakPolarHBondContact O-CB 2.92Å; L37-H41 PolarHBondContact O-CD2 3.38Å; L37-H41 PolarHBondContact O-N 3.05Å; L37-A105 HydrophobicContact CD2-CB 4Å
38A50.6Low48.7Very low3 Ų357.8 Ų57.83%0.02533%0.33CS..Hα-helixtrans-64-40.8174.400000111.2Y34 H41 H42 I54 I57Y34-A38 WeakPolarHBondContact O-CB 3.3Å; Y34-A38 PolarHBondContact O-N 3.11Å; A38-H41 PolarHBondContact O-N 2.96Å; A38-H42 PolarHBondContact O-CD2 3.34Å; A38-H42 PolarHBondContact O-N 2.81Å; A38-I54 HydrophobicContact CB-CG1 3.91Å; A38-I57 HydrophobicContact CB-CD1 4.21Å
39C52.4Low49.2Very low1 Ų158.8 Ų58.81%0.00733%0.328CS..Hα-helixtrans-64.1-44.1178.1-156.60000113.4C5 L6 C35 N36 L37 H41 H42 K43C5-C39 HydrophobicContact CB-CB 4.39Å; C5-C39 WeakPolarHBondContact CB-SG 3.23Å; C5-C39 WeakPolarHBondContact SG-CA 3.29Å; C5-C39 WeakPolarHBondContact SG-CB 3.38Å; C5-C39 CovalentContact SG-SG 2.01Å; C5-C39 PolarHBondContact SG-SG 2.99Å; L6-C39 HydrophobicContact CD1-CB 4.37Å; L6-C39 HydrophobicContact CG-CB 4.27Å; L6-C39 PolarHBondContact N-SG 3.19Å; C35-C39 VanDerWaalsContact O-CB 3.23Å; C35-C39 WeakPolarHBondContact O-CB 3.37Å; C35-C39 PolarHBondContact O-N 3.4Å; N36-C39 WeakPolarHBondContact O-CB 3.4Å; N36-C39 PolarHBondContact O-N 3.39Å; L37-C39 VanDerWaalsContact C-N 3.34Å; C39-H41 VanDerWaalsContact C-N 3.3Å; C39-H41 PolarHBondContact O-N 2.87Å; C39-H42 CarbonylContact O-C 3.6Å; C39-H42 PolarHBondContact O-N 2.93Å; C39-K43 WeakPolarHBondContact O-CA 3.24Å; C39-K43 WeakPolarHBondContact O-CB 3.34Å; C39-K43 PolarHBondContact O-N 2.01Å
40E52.7Low49.4Very low105 Ų10558.2 Ų58.249%0.49133%0.325SS..Hα-helixtrans-62.9-36.7175.6-98.3-84.6131.500111.6N36 L37 K43N36-E40 WeakPolarHBondContact O-CB 2.85Å; N36-E40 PolarHBondContact O-N 3.4Å; L37-E40 PolarHBondContact O-N 3.11Å; E40-K43 WeakPolarHBondContact O-CD 3.08Å; E40-K43 WeakPolarHBondContact O-CE 3.28Å; E40-K43 WeakPolarHBondContact O-CG 2.97Å; E40-K43 IonicContact OE1-NZ 3.94Å; E40-K43 PolarHBondContact OE1-NZ 2.88Å; E40-K43 IonicContact OE2-NZ 3.11Å; E40-K43 PolarHBondContact OE2-NZ 3.13Å
41H52Low49.6Very low80 Ų8059.8 Ų59.837%0.3733%0.33SS..Hα-helixtrans-74.6-36177.7-90.7-56.2000113.6L37 A38 C39L37-H41 WeakPolarHBondContact O-CB 2.92Å; L37-H41 PolarHBondContact O-CD2 3.38Å; L37-H41 PolarHBondContact O-N 3.05Å; A38-H41 PolarHBondContact O-N 2.96Å; C39-H41 VanDerWaalsContact C-N 3.3Å; C39-H41 PolarHBondContact O-N 2.87Å
42H51.3Low50.2Low30 Ų3062 Ų6214%0.13935%0.348CS..Hα-helixtrans-99.611.3-179.5-62.9-70.7000113.6A38 C39 N44 E45 A50A38-H42 PolarHBondContact O-CD2 3.34Å; A38-H42 PolarHBondContact O-N 2.81Å; C39-H42 CarbonylContact O-C 3.6Å; C39-H42 PolarHBondContact O-N 2.93Å; H42-N44 PolarHBondContact O-N 3.38Å; H42-E45 HydrophobicContact CB-CB 4.39Å; H42-E45 IonicContact CE1-OE2 3.24Å; H42-E45 PolarHBondContact CE1-OE2 2.93Å; H42-E45 IonicContact ND1-OE2 2.72Å; H42-E45 PolarHBondContact ND1-OE2 3.46Å; H42-E45 CarbonylContact O-C 3.59Å; H42-E45 PolarHBondContact O-N 2.03Å; H42-A50 HydrophobicContact CB-CB 3.77Å
43K53.2Low50.4Low109 Ų10963.1 Ų63.147%0.47436%0.356SS..THydrogen-bonded Turntrans-56.5-21.7-17964.9-167.7168.2-1680114.2C39 E40C39-K43 WeakPolarHBondContact O-CA 3.24Å; C39-K43 WeakPolarHBondContact O-CB 3.34Å; C39-K43 PolarHBondContact O-N 2.01Å; E40-K43 WeakPolarHBondContact O-CD 3.08Å; E40-K43 WeakPolarHBondContact O-CE 3.28Å; E40-K43 WeakPolarHBondContact O-CG 2.97Å; E40-K43 IonicContact OE1-NZ 3.94Å; E40-K43 PolarHBondContact OE1-NZ 2.88Å; E40-K43 IonicContact OE2-NZ 3.11Å; E40-K43 PolarHBondContact OE2-NZ 3.13Å
44N49.8Very low50.5Low148 Ų14859.2 Ų59.279%0.79134%0.339SS*.THydrogen-bonded Turntrans-104.6-9.1177-61.1-25000113.5H42H42-N44 PolarHBondContact O-N 3.38Å
45E44.3Very low50.8Low108 Ų10861.8 Ų61.851%0.50535%0.353SS..  trans-101.784.5179.2-70.2-173.9164.900109.4H42 S47 A50H42-E45 HydrophobicContact CB-CB 4.39Å; H42-E45 IonicContact CE1-OE2 3.24Å; H42-E45 PolarHBondContact CE1-OE2 2.93Å; H42-E45 IonicContact ND1-OE2 2.72Å; H42-E45 PolarHBondContact ND1-OE2 3.46Å; H42-E45 CarbonylContact O-C 3.59Å; H42-E45 PolarHBondContact O-N 2.03Å; E45-S47 PolarHBondContact O-N 2.83Å; E45-A50 HydrophobicContact CB-CB 4.24Å
46A47.5Very low51.2Low115 Ų11566.8 Ų66.895%0.9538%0.38SS*.  trans-7446.8169.200000111.6
47S45.8Very low51.1Low53 Ų5366 Ų6637%0.37138%0.376SS..  trans-107.6144.4179.483.60000110.9E45 V49 A50 Q51E45-S47 PolarHBondContact O-N 2.83Å; S47-V49 PolarHBondContact O-N 3.28Å; S47-V49 VanDerWaalsContact O-N 3.11Å; S47-A50 PolarHBondContact O-N 3.43Å; S47-A50 VanDerWaalsContact O-N 3.11Å; S47-Q51 PolarHBondContact O-N 2.85Å
48A49.1Very low51.1Low88 Ų8865.3 Ų65.373%0.72737%0.372SS*.Hα-helixtrans-57.4-26.2178.600000113.1Q51 S52A48-Q51 PolarHBondContact O-N 3.29Å; A48-S52 PolarHBondContact O-N 3.09Å
49V46Very low51.1Low98 Ų9867.5 Ų67.559%0.59439%0.389SS*.Hα-helixtrans-67-43.4177.2178.90000111.5S47 Q51 S52 I53S47-V49 PolarHBondContact O-N 3.28Å; S47-V49 VanDerWaalsContact O-N 3.11Å; V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 2.68Å; V49-S52 PolarHBondContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 3.32Å; V49-I53 HydrophobicContact CG1-CD1 4.13Å; V49-I53 VanDerWaalsContact O-CG1 3.32Å; V49-I53 WeakPolarHBondContact O-CG1 2.72Å; V49-I53 PolarHBondContact O-N 3.14Å
50A50.2Low50.9Low4 Ų472.6 Ų72.63%0.03341%0.413CS..Hα-helixtrans-63.4-37.1175.900000111.5H42 E45 S47 I54H42-A50 HydrophobicContact CB-CB 3.77Å; E45-A50 HydrophobicContact CB-CB 4.24Å; S47-A50 PolarHBondContact O-N 3.43Å; S47-A50 VanDerWaalsContact O-N 3.11Å; A50-I54 WeakPolarHBondContact O-CD1 3.31Å; A50-I54 VanDerWaalsContact O-CG1 3.3Å; A50-I54 WeakPolarHBondContact O-CG1 3.4Å; A50-I54 PolarHBondContact O-N 3.09Å; A50-I54 VanDerWaalsContact O-N 3.11Å
51Q51.8Low50.7Low61 Ų6168 Ų6829%0.28539%0.391SS..Hα-helixtrans-70-39179.2-165.962.857.300112.6S47 A48 V49 I53 I54 D55S47-Q51 PolarHBondContact O-N 2.85Å; A48-Q51 PolarHBondContact O-N 3.29Å; V49-Q51 VanDerWaalsContact C-N 3.27Å; V49-Q51 PolarHBondContact O-N 2.68Å; Q51-I53 VanDerWaalsContact C-N 3.34Å; Q51-I54 PolarHBondContact O-N 3.42Å; Q51-D55 PolarHBondContact NE2-OD1 3.47Å; Q51-D55 WeakPolarHBondContact O-CB 2.88Å; Q51-D55 VanDerWaalsContact O-CG 3.22Å; Q51-D55 PolarHBondContact O-N 3.46Å
52S56.2Low50.1Low60 Ų6064.2 Ų64.242%0.4238%0.375SS..Hα-helixtrans-67.2-36.6176.780.10000112A48 V49 I54 D55 D56A48-S52 PolarHBondContact O-N 3.09Å; V49-S52 PolarHBondContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 3.32Å; S52-I54 VanDerWaalsContact C-N 3.35Å; S52-D55 PolarHBondContact O-N 2.98Å; S52-D56 WeakPolarHBondContact O-CB 3.42Å; S52-D56 PolarHBondContact O-N 3.46Å
53I52.9Low49.6Very low68 Ų6870.6 Ų70.635%0.34940%0.399SS..Hα-helixtrans-62.9-43.5174.7-68.1167.4000110.3V49 Q51 D56 I57V49-I53 HydrophobicContact CG1-CD1 4.13Å; V49-I53 VanDerWaalsContact O-CG1 3.32Å; V49-I53 WeakPolarHBondContact O-CG1 2.72Å; V49-I53 PolarHBondContact O-N 3.14Å; Q51-I53 VanDerWaalsContact C-N 3.34Å; I53-D56 PolarHBondContact O-N 2.92Å; I53-I57 HydrophobicContact CG2-CD1 3.85Å; I53-I57 WeakPolarHBondContact O-CB 3.27Å; I53-I57 WeakPolarHBondContact O-CD1 3.21Å; I53-I57 WeakPolarHBondContact O-CG1 3.5Å; I53-I57 PolarHBondContact O-N 2.94Å
54I52.4Low49Very low5 Ų569.6 Ų69.63%0.02640%0.396CS..Hα-helixtrans-62.7-44.5175.1-69.2164.9000110.9A38 A50 Q51 S52 I57 I58A38-I54 HydrophobicContact CB-CG1 3.91Å; A50-I54 WeakPolarHBondContact O-CD1 3.31Å; A50-I54 VanDerWaalsContact O-CG1 3.3Å; A50-I54 WeakPolarHBondContact O-CG1 3.4Å; A50-I54 PolarHBondContact O-N 3.09Å; A50-I54 VanDerWaalsContact O-N 3.11Å; Q51-I54 PolarHBondContact O-N 3.42Å; S52-I54 VanDerWaalsContact C-N 3.35Å; I54-I57 PolarHBondContact O-N 3.21Å; I54-I58 HydrophobicContact CG2-CD1 3.78Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 VanDerWaalsContact O-CG1 3.28Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.39Å
55D55.5Low48.7Very low67 Ų6764 Ų6436%0.35836%0.364SS..Hα-helixtrans-66.7-38.4-179.2-67.6-18000111.4K8 Q51 S52 I58 A59K8-D55 IonicContact NZ-OD1 3.41Å; K8-D55 PolarHBondContact NZ-OD1 3Å; Q51-D55 PolarHBondContact NE2-OD1 3.47Å; Q51-D55 WeakPolarHBondContact O-CB 2.88Å; Q51-D55 VanDerWaalsContact O-CG 3.22Å; Q51-D55 PolarHBondContact O-N 3.46Å; S52-D55 PolarHBondContact O-N 2.98Å; D55-I58 PolarHBondContact O-N 3.33Å; D55-A59 WeakPolarHBondContact O-CB 3.45Å; D55-A59 PolarHBondContact O-N 3.44Å
56D56.8Low48.3Very low108 Ų10859.4 Ų59.458%0.57834%0.344SS*.Hα-helixtrans-64.6-43.7174-88-10.2000111.9S52 I53 A59 H60S52-D56 WeakPolarHBondContact O-CB 3.42Å; S52-D56 PolarHBondContact O-N 3.46Å; I53-D56 PolarHBondContact O-N 2.92Å; D56-A59 PolarHBondContact O-N 2.88Å; D56-H60 WeakPolarHBondContact O-CB 3.23Å; D56-H60 PolarHBondContact O-N 2.94Å
57I51.3Low47.8Very low31 Ų3158.8 Ų58.816%0.15932%0.323CS..Hα-helixtrans-59-47.5174.4-74170.1000109.8A38 I53 I54 A59 I61A38-I57 HydrophobicContact CB-CD1 4.21Å; I53-I57 HydrophobicContact CG2-CD1 3.85Å; I53-I57 WeakPolarHBondContact O-CB 3.27Å; I53-I57 WeakPolarHBondContact O-CD1 3.21Å; I53-I57 WeakPolarHBondContact O-CG1 3.5Å; I53-I57 PolarHBondContact O-N 2.94Å; I54-I57 PolarHBondContact O-N 3.21Å; I57-A59 PolarHBondContact O-N 3.36Å; I57-I61 HydrophobicContact CG2-CD1 3.4Å; I57-I61 VanDerWaalsContact CG2-CD1 3.4Å; I57-I61 HydrophobicContact CG2-CG1 4.33Å; I57-I61 VanDerWaalsContact O-CB 3.26Å; I57-I61 WeakPolarHBondContact O-CB 3.27Å; I57-I61 WeakPolarHBondContact O-CD1 3.38Å; I57-I61 WeakPolarHBondContact O-CG1 3.17Å; I57-I61 PolarHBondContact O-N 3.34Å
58I50.7Low47.5Very low30 Ų3058.7 Ų58.715%0.15432%0.316CS..Hα-helixtrans-62.8-44.6178.7-69.3166.5000111.3N12 I54 D55 G62N12-I58 WeakPolarHBondContact ND2-CG2 3.26Å; I54-I58 HydrophobicContact CG2-CD1 3.78Å; I54-I58 HydrophobicContact CG2-CG1 4.46Å; I54-I58 VanDerWaalsContact O-CG1 3.28Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.39Å; D55-I58 PolarHBondContact O-N 3.33Å; I58-G62 PolarHBondContact O-N 3.03Å
59A51.1Low47Very low48 Ų4856.2 Ų56.240%0.39729%0.291SS..Hα-helixtrans-66-45.2-178.600000112.3D55 D56 I57 Y63D55-A59 WeakPolarHBondContact O-CB 3.45Å; D55-A59 PolarHBondContact O-N 3.44Å; D56-A59 PolarHBondContact O-N 2.88Å; I57-A59 PolarHBondContact O-N 3.36Å; A59-Y63 WeakPolarHBondContact O-CB 3.26Å; A59-Y63 PolarHBondContact O-N 2.96Å
60H48.7Very low46.4Very low109 Ų10955.5 Ų55.551%0.50529%0.289SS..Hα-helixtrans-67.6-45.6178.4-104.261.4000111.9D56 Y63 E64D56-H60 WeakPolarHBondContact O-CB 3.23Å; D56-H60 PolarHBondContact O-N 2.94Å; H60-Y63 PolarHBondContact O-N 3.16Å; H60-E64 PolarHBondContact O-N 2.61Å
61I48.1Very low45.8Very low7 Ų758.7 Ų58.74%0.03632%0.316CS..Hα-helixtrans-71.5-36.2-177.4-56.3172.6000110.2Q31 Y34 I57 Y63 Y65Q31-I61 HydrophobicContact CB-CG2 4.23Å; Q31-I61 HydrophobicContact CG-CB 4.09Å; Q31-I61 HydrophobicContact CG-CG2 3.44Å; Q31-I61 VanDerWaalsContact CG-CG2 3.44Å; Q31-I61 PolarHBondContact NE2-O 3.03Å; Y34-I61 HydrophobicContact CD2-CD1 3.75Å; Y34-I61 HydrophobicContact CG-CD1 3.86Å; I57-I61 HydrophobicContact CG2-CD1 3.4Å; I57-I61 VanDerWaalsContact CG2-CD1 3.4Å; I57-I61 HydrophobicContact CG2-CG1 4.33Å; I57-I61 VanDerWaalsContact O-CB 3.26Å; I57-I61 WeakPolarHBondContact O-CB 3.27Å; I57-I61 WeakPolarHBondContact O-CD1 3.38Å; I57-I61 WeakPolarHBondContact O-CG1 3.17Å; I57-I61 PolarHBondContact O-N 3.34Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 2.84Å; I61-Y65 HydrophobicContact CB-CD2 4.36Å; I61-Y65 HydrophobicContact CG2-CD2 3.33Å; I61-Y65 HydrophobicContact CG2-CE2 3.51Å; I61-Y65 HydrophobicContact CG2-CG 4.23Å; I61-Y65 WeakPolarHBondContact O-CB 3.42Å; I61-Y65 PolarHBondContact O-N 3.39Å
62G40.5Very low45.1Very low2 Ų258.2 Ų58.22%0.02132%0.315CS..Hα-helixtrans-67.1-31.1177.600000114I58 C66I58-G62 PolarHBondContact O-N 3.03Å; G62-C66 WeakPolarHBondContact O-CB 3.48Å
63Y39.3Very low44.3Very low163 Ų16360.6 Ų60.664%0.63932%0.315SS*.Hα-helixtrans-87-45-179.9-158.7-95000112.5A59 H60 I61 I67A59-Y63 WeakPolarHBondContact O-CB 3.26Å; A59-Y63 PolarHBondContact O-N 2.96Å; H60-Y63 PolarHBondContact O-N 3.16Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 2.84Å; Y63-I67 HydrophobicContact CD1-CD1 4.05Å; Y63-I67 HydrophobicContact CE1-CD1 3.76Å
64E41.5Very low43.9Very low89 Ų8966.6 Ų66.642%0.41634%0.339SS..Hα-helixtrans-78.6-39.7-173.3-73-158.1154.600113.8H60 C66 I67 F68H60-E64 PolarHBondContact O-N 2.61Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 2.99Å; E64-I67 PolarHBondContact O-N 3.38Å; E64-F68 WeakPolarHBondContact O-CB 3.45Å; E64-F68 PolarHBondContact O-N 3.3Å
65Y42.7Very low43.1Very low29 Ų2970.3 Ų70.311%0.11436%0.362CS..Hα-helixtrans-65.8-34.4177.3-90.8-99.3000112.3P30 I61 I67 F68 D69 E112 R116P30-Y65 HydrophobicContact CB-CE1 3.91Å; P30-Y65 WeakPolarHBondContact CB-OH 3.35Å; P30-Y65 HydrophobicContact CG-CD1 3.9Å; P30-Y65 HydrophobicContact CG-CE1 3.19Å; I61-Y65 HydrophobicContact CB-CD2 4.36Å; I61-Y65 HydrophobicContact CG2-CD2 3.33Å; I61-Y65 HydrophobicContact CG2-CE2 3.51Å; I61-Y65 HydrophobicContact CG2-CG 4.23Å; I61-Y65 WeakPolarHBondContact O-CB 3.42Å; I61-Y65 PolarHBondContact O-N 3.39Å; Y65-I67 VanDerWaalsContact C-N 3.29Å; Y65-I67 PolarHBondContact O-N 2.91Å; Y65-F68 WeakPolarHBondContact O-CB 3.46Å; Y65-F68 PolarHBondContact O-N 3.33Å; Y65-D69 VanDerWaalsContact O-CB 3.3Å; Y65-D69 WeakPolarHBondContact O-CB 3.17Å; Y65-D69 PolarHBondContact O-N 2.98Å; Y65-E112 PolarHBondContact OH-OE2 3.09Å; Y65-R116 PolarHBondContact OH-NE 3.29Å; Y65-R116 PolarHBondContact OH-NH2 2.99Å
66C37.5Very low42.3Very low13 Ų1377 Ų779%0.08839%0.391CS..Hα-helixtrans-63.6-37.2-179.9-1460000112.3Y19 C20 G62 E64 C70Y19-C66 PolarHBondContact O-SG 3.48Å; C20-C66 WeakPolarHBondContact CA-SG 3.43Å; C20-C66 HydrophobicContact CB-CB 4.3Å; C20-C66 WeakPolarHBondContact CB-SG 3.49Å; C20-C66 PolarHBondContact N-SG 2.85Å; C20-C66 VanDerWaalsContact N-SG 3.38Å; C20-C66 WeakPolarHBondContact SG-CB 3.38Å; C20-C66 CovalentContact SG-SG 2.04Å; C20-C66 PolarHBondContact SG-SG 3.46Å; G62-C66 WeakPolarHBondContact O-CB 3.48Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 2.99Å; C66-C70 WeakPolarHBondContact O-CB 3.34Å; C66-C70 PolarHBondContact O-N 3.37Å
67I35.7Very low41.4Very low101 Ų10180.3 Ų80.352%0.51840%0.395SS..Hα-helixtrans-74.8-39.2174.7-65.2176.2000110.5Y63 E64 Y65 C70 A71Y63-I67 HydrophobicContact CD1-CD1 4.05Å; Y63-I67 HydrophobicContact CE1-CD1 3.76Å; E64-I67 PolarHBondContact O-N 3.38Å; Y65-I67 VanDerWaalsContact C-N 3.29Å; Y65-I67 PolarHBondContact O-N 2.91Å; I67-C70 PolarHBondContact O-N 3.16Å; I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 2.84Å
68F39.7Very low40.5Very low51 Ų5182.1 Ų82.122%0.22441%0.41CS..Hα-helixtrans-61.6-45.7178-130.9-76.8000112.6E64 Y65 A71 L72 R116 I120E64-F68 WeakPolarHBondContact O-CB 3.45Å; E64-F68 PolarHBondContact O-N 3.3Å; Y65-F68 WeakPolarHBondContact O-CB 3.46Å; Y65-F68 PolarHBondContact O-N 3.33Å; F68-A71 PolarHBondContact O-N 3.01Å; F68-L72 HydrophobicContact CD1-CD1 3.8Å; F68-L72 HydrophobicContact CE1-CD1 4.03Å; F68-L72 PolarHBondContact O-N 3.27Å; F68-R116 HydrophobicContact CE2-CB 4.09Å; F68-R116 HydrophobicContact CZ-CB 3.92Å; F68-I120 HydrophobicContact CD2-CD1 3.97Å; F68-I120 HydrophobicContact CE1-CG1 4.15Å; F68-I120 HydrophobicContact CE2-CD1 3.12Å; F68-I120 HydrophobicContact CE2-CG1 3.63Å; F68-I120 HydrophobicContact CZ-CD1 3.46Å; F68-I120 VanDerWaalsContact CZ-CD1 3.46Å; F68-I120 HydrophobicContact CZ-CG1 3.36Å
69D38.7Very low39.6Very low36 Ų3689 Ų8919%0.19344%0.441CS..Hα-helixtrans-61.2-54.7175.8-95.9-11.9000109.8C24 Y65 A71 L72 Y73C24-D69 PolarHBondContact SG-OD2 3.41Å; Y65-D69 VanDerWaalsContact O-CB 3.3Å; Y65-D69 WeakPolarHBondContact O-CB 3.17Å; Y65-D69 PolarHBondContact O-N 2.98Å; D69-A71 VanDerWaalsContact C-N 3.27Å; D69-A71 PolarHBondContact O-N 3.25Å; D69-L72 PolarHBondContact O-N 3.13Å; D69-Y73 VanDerWaalsContact CA-CE2 3.49Å; D69-Y73 HydrophobicContact CB-CD2 3.88Å; D69-Y73 HydrophobicContact CB-CE2 3.28Å; D69-Y73 WeakPolarHBondContact O-CB 2.97Å; D69-Y73 WeakPolarHBondContact O-CD2 3.13Å; D69-Y73 WeakPolarHBondContact O-CE2 3.28Å; D69-Y73 VanDerWaalsContact O-CG 3.23Å; D69-Y73 PolarHBondContact O-N 2.89Å; D69-Y73 VanDerWaalsContact O-N 3.08Å; D69-Y73 VanDerWaalsContact OD1-CE2 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.39Å; D69-Y73 PolarHBondContact OD1-OH 2.93Å
70C33.5Very low38.7Very low84 Ų8492 Ų9257%0.56845%0.451SS*.Hα-helixtrans-62.1-27.2-179.6-85.60000115.1C66 I67C66-C70 WeakPolarHBondContact O-CB 3.34Å; C66-C70 PolarHBondContact O-N 3.37Å; I67-C70 PolarHBondContact O-N 3.16Å
71A36.7Very low37.9Very low71 Ų7190.4 Ų90.459%0.58745%0.446SS*.Hα-helixtrans-79.1-31.817900000113.3I67 F68 D69I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 2.84Å; F68-A71 PolarHBondContact O-N 3.01Å; D69-A71 VanDerWaalsContact C-N 3.27Å; D69-A71 PolarHBondContact O-N 3.25Å
72L38Very low37.1Very low51 Ų5193.8 Ų93.827%0.26747%0.47SS..Hα-helixtrans-86.4-28.2178.6-79.4160.9000113.1F68 D69 K74 T75F68-L72 HydrophobicContact CD1-CD1 3.8Å; F68-L72 HydrophobicContact CE1-CD1 4.03Å; F68-L72 PolarHBondContact O-N 3.27Å; D69-L72 PolarHBondContact O-N 3.13Å; L72-K74 PolarHBondContact O-N 3.21Å; L72-T75 PolarHBondContact O-N 3.26Å
73Y40.1Very low36.7Very low110 Ų110101.3 Ų101.343%0.43150%0.502SS..THydrogen-bonded Turntrans-72.315-175.1-69.6-50.1000116.5D69D69-Y73 VanDerWaalsContact CA-CE2 3.49Å; D69-Y73 HydrophobicContact CB-CD2 3.88Å; D69-Y73 HydrophobicContact CB-CE2 3.28Å; D69-Y73 WeakPolarHBondContact O-CB 2.97Å; D69-Y73 WeakPolarHBondContact O-CD2 3.13Å; D69-Y73 WeakPolarHBondContact O-CE2 3.28Å; D69-Y73 VanDerWaalsContact O-CG 3.23Å; D69-Y73 PolarHBondContact O-N 2.89Å; D69-Y73 VanDerWaalsContact O-N 3.08Å; D69-Y73 VanDerWaalsContact OD1-CE2 3.31Å; D69-Y73 WeakPolarHBondContact OD1-CE2 3.39Å; D69-Y73 PolarHBondContact OD1-OH 2.93Å
74K42.7Very low36.6Very low194 Ų19495 Ų9584%0.84349%0.487SS*.THydrogen-bonded Turntrans-94.8-1.7170.8-75.2-169.3178-1790114.6L72L72-K74 PolarHBondContact O-N 3.21Å
75T37.4Very low36.5Very low83 Ų8393.2 Ų93.251%0.50948%0.482SS..SBendtrans-129.7140.5177.463.40000111.9L72 R77L72-T75 PolarHBondContact O-N 3.26Å; T75-R77 PolarHBondContact O-N 3.27Å
76E38Very low36.4Very low206 Ų20694.7 Ų94.796%0.96350%0.496SS*.SBendtrans-63.327.4-171.1-75.3178.9141.800117
77R38.1Very low36.8Very low178 Ų17896.2 Ų96.267%0.67251%0.51SS*.  trans-113.142.7-176.7-66.6-167.1-163.3-176.86.7115.4T75 E79 D80T75-R77 PolarHBondContact O-N 3.27Å; R77-E79 VanDerWaalsContact C-N 3.28Å; R77-E79 PolarHBondContact O-N 3.41Å; R77-D80 PolarHBondContact O-N 3.22Å
78C32.4Very low37.6Very low69 Ų6992.1 Ų92.147%0.46649%0.489SS..Hα-helixtrans-62.6-28-176.3-154.50000114.4C82C78-C82 PolarHBondContact O-N 2.76Å
79E30.8Very low38.2Very low174 Ų17491.5 Ų91.581%0.81349%0.489SS*.Hα-helixtrans-77-36.4-177.9-72.3-173.2152.700113.7R77R77-E79 VanDerWaalsContact C-N 3.28Å; R77-E79 PolarHBondContact O-N 3.41Å
80D32.8Very low38.9Very low113 Ų11393 Ų9360%0.60450%0.502SS*.Hα-helixtrans-73.8-35.3179.9-78.6-24.5000112R77 F83 G84R77-D80 PolarHBondContact O-N 3.22Å; D80-F83 WeakPolarHBondContact O-CB 3.25Å; D80-F83 PolarHBondContact O-N 2.85Å; D80-G84 PolarHBondContact O-N 3.07Å; D80-G84 VanDerWaalsContact O-N 3.12Å
81D32.7Very low40.1Very low75 Ų7595.1 Ų95.140%0.40150%0.502SS..Hα-helixtrans-74.5-32-178.1-74.2-25.4000112.9F83 G84 V85D81-F83 VanDerWaalsContact C-N 3.28Å; D81-F83 PolarHBondContact O-N 3.07Å; D81-G84 PolarHBondContact O-N 3.39Å; D81-G84 VanDerWaalsContact O-N 3.13Å; D81-V85 PolarHBondContact O-N 3.27Å
82C31.2Very low41.3Very low78 Ų7891.7 Ų91.753%0.52747%0.474SS..Hα-helixtrans-63.7-34.2169.8-81.20000112.4C78 G84 S86C78-C82 PolarHBondContact O-N 2.76Å; C82-G84 VanDerWaalsContact C-N 3.35Å; C82-S86 PolarHBondContact O-N 3.34Å; C82-S86 PolarHBondContact O-OG 3.39Å
83F31.4Very low42.4Very low159 Ų15995 Ų9570%0.69748%0.484SS*.Hα-helixtrans-67.3-36.4171.9-119.4-81.6000111.7D80 D81 S86 A87D80-F83 WeakPolarHBondContact O-CB 3.25Å; D80-F83 PolarHBondContact O-N 2.85Å; D81-F83 VanDerWaalsContact C-N 3.28Å; D81-F83 PolarHBondContact O-N 3.07Å; F83-S86 WeakPolarHBondContact CA-OG 3.5Å; F83-S86 PolarHBondContact O-OG 3.44Å; F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.37Å; F83-A87 PolarHBondContact O-N 2.95Å
84G37.2Very low43.5Very low31 Ų3199.6 Ų99.632%0.3250%0.5SS..Hα-helixtrans-61.3-45.3174.100000113.1D80 D81 C82 A87 I88D80-G84 PolarHBondContact O-N 3.07Å; D80-G84 VanDerWaalsContact O-N 3.12Å; D81-G84 PolarHBondContact O-N 3.39Å; D81-G84 VanDerWaalsContact O-N 3.13Å; C82-G84 VanDerWaalsContact C-N 3.35Å; G84-A87 PolarHBondContact O-N 3.16Å; G84-I88 WeakPolarHBondContact O-CD1 3.03Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.46Å; G84-I88 PolarHBondContact O-N 2.72Å
85V38.7Very low44.4Very low52 Ų5294.9 Ų94.932%0.31549%0.487SS..Hα-helixtrans-62.1-49.5178169.80000111.5D81 A87 I88 T89D81-V85 PolarHBondContact O-N 3.27Å; V85-A87 VanDerWaalsContact C-N 3.3Å; V85-A87 PolarHBondContact O-N 3.31Å; V85-I88 PolarHBondContact O-N 3.38Å; V85-I88 VanDerWaalsContact O-N 3.16Å; V85-T89 PolarHBondContact O-N 2.83Å; V85-T89 PolarHBondContact O-OG1 3.16Å
86S40.4Very low45.6Very low59 Ų5990.9 Ų90.941%0.41346%0.463SS..Hα-helixtrans-65.8-30.8179.143.20000113C82 F83 S90C82-S86 PolarHBondContact O-N 3.34Å; C82-S86 PolarHBondContact O-OG 3.39Å; F83-S86 WeakPolarHBondContact CA-OG 3.5Å; F83-S86 PolarHBondContact O-OG 3.44Å; S86-S90 WeakPolarHBondContact O-CB 3.44Å; S86-S90 PolarHBondContact O-N 3.44Å; S86-S90 PolarHBondContact O-OG 3.29Å
87A46.6Very low46.5Very low45 Ų4585.7 Ų85.737%0.37244%0.442SS..Hα-helixtrans-70.6-36.7171.800000113.3F83 G84 V85 K91F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.37Å; F83-A87 PolarHBondContact O-N 2.95Å; G84-A87 PolarHBondContact O-N 3.16Å; V85-A87 VanDerWaalsContact C-N 3.3Å; V85-A87 PolarHBondContact O-N 3.31Å; A87-K91 WeakPolarHBondContact O-CB 3.19Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.13Å
88I52.2Low47.1Very low16 Ų1680 Ų808%0.08244%0.439CS..Hα-helixtrans-67.8-47174.7-67.5161.4000109.9G84 V85 S90 K91 C92 E112 K115 R116 L119G84-I88 WeakPolarHBondContact O-CD1 3.03Å; G84-I88 VanDerWaalsContact O-CG1 3.23Å; G84-I88 WeakPolarHBondContact O-CG1 3.46Å; G84-I88 PolarHBondContact O-N 2.72Å; V85-I88 PolarHBondContact O-N 3.38Å; V85-I88 VanDerWaalsContact O-N 3.16Å; I88-S90 VanDerWaalsContact C-N 3.32Å; I88-S90 PolarHBondContact O-N 3.4Å; I88-K91 PolarHBondContact O-N 2.86Å; I88-K91 VanDerWaalsContact O-N 3.16Å; I88-C92 WeakPolarHBondContact O-CB 3.46Å; I88-C92 PolarHBondContact O-N 2.88Å; I88-C92 PolarHBondContact O-SG 3.35Å; I88-E112 HydrophobicContact CG2-CB 4.49Å; I88-E112 HydrophobicContact CG2-CG 4.07Å; I88-K115 HydrophobicContact CG2-CB 3.84Å; I88-K115 HydrophobicContact CG2-CG 4.47Å; I88-R116 HydrophobicContact CD1-CG 4.29Å; I88-L119 HydrophobicContact CD1-CD1 3.34Å; I88-L119 HydrophobicContact CG1-CD1 4.34Å
89T53.4Low48Very low38 Ų3882.6 Ų82.623%0.23344%0.442CS..Hα-helixtrans-59.5-44.7177.2-50.60000110.9V85 K91 C92 Y93 F108 E112V85-T89 PolarHBondContact O-N 2.83Å; V85-T89 PolarHBondContact O-OG1 3.16Å; T89-K91 PolarHBondContact O-N 3.47Å; T89-C92 PolarHBondContact O-N 3.49Å; T89-Y93 WeakPolarHBondContact O-CB 3.32Å; T89-Y93 PolarHBondContact O-N 3.36Å; T89-F108 HydrophobicContact CG2-CE1 4.09Å; T89-E112 WeakPolarHBondContact CA-OE1 3.49Å; T89-E112 WeakPolarHBondContact CB-OE1 3.48Å; T89-E112 WeakPolarHBondContact CG2-OE1 3.26Å; T89-E112 PolarHBondContact OG1-OE1 2.04Å
90S51.8Low48.8Very low67 Ų6781 Ų8147%0.46943%0.434SS..Hα-helixtrans-65.2-37.5175.9-66.90000113.3S86 I88 Y93 R94S86-S90 WeakPolarHBondContact O-CB 3.44Å; S86-S90 PolarHBondContact O-N 3.44Å; S86-S90 PolarHBondContact O-OG 3.29Å; I88-S90 VanDerWaalsContact C-N 3.32Å; I88-S90 PolarHBondContact O-N 3.4Å; S90-Y93 WeakPolarHBondContact O-CB 3.28Å; S90-Y93 PolarHBondContact O-N 3.13Å; S90-R94 PolarHBondContact O-N 3.12Å; S90-R94 VanDerWaalsContact O-N 3.14Å
91K60.3Low49.6Very low128 Ų12879.2 Ų79.256%0.55743%0.428SS*.Hα-helixtrans-67-42.1174.5-86.1175.1178.5169.10111.3A87 I88 T89 Y93 R94 V95A87-K91 WeakPolarHBondContact O-CB 3.19Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 3.13Å; I88-K91 PolarHBondContact O-N 2.86Å; I88-K91 VanDerWaalsContact O-N 3.16Å; T89-K91 PolarHBondContact O-N 3.47Å; K91-Y93 VanDerWaalsContact C-N 3.32Å; K91-R94 PolarHBondContact O-N 2.96Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.31Å; K91-V95 PolarHBondContact O-N 3.44Å
92C61.9Low50.3Low0 Ų079.5 Ų79.50%044%0.436CS..Hα-helixtrans-71.1-30.6177.8-70.50000112.1I88 T89 V95 C96 F108 C111 E112I88-C92 WeakPolarHBondContact O-CB 3.46Å; I88-C92 PolarHBondContact O-N 2.88Å; I88-C92 PolarHBondContact O-SG 3.35Å; T89-C92 PolarHBondContact O-N 3.49Å; C92-V95 PolarHBondContact O-N 3.07Å; C92-C96 WeakPolarHBondContact O-CB 3.04Å; C92-C96 PolarHBondContact O-N 2.89Å; C92-C96 PolarHBondContact O-SG 3.3Å; C92-F108 HydrophobicContact CB-CD1 4.06Å; C92-F108 HydrophobicContact CB-CE1 3.94Å; C92-C111 WeakPolarHBondContact CA-SG 3.41Å; C92-C111 HydrophobicContact CB-CB 3.65Å; C92-C111 WeakPolarHBondContact CB-SG 3.36Å; C92-C111 WeakPolarHBondContact SG-CB 3.3Å; C92-C111 CovalentContact SG-SG 2.05Å; C92-C111 PolarHBondContact SG-SG 3.22Å; C92-E112 HydrophobicContact CB-CG 4.12Å; C92-E112 PolarHBondContact SG-N 2.89Å
93Y59.5Low51.2Low120 Ų12080.9 Ų80.947%0.47144%0.437SS..Hα-helixtrans-54.9-56.6166.3-143.2-72.6000109.8T89 S90 K91 V95 C96 D97 F108T89-Y93 WeakPolarHBondContact O-CB 3.32Å; T89-Y93 PolarHBondContact O-N 3.36Å; S90-Y93 WeakPolarHBondContact O-CB 3.28Å; S90-Y93 PolarHBondContact O-N 3.13Å; K91-Y93 VanDerWaalsContact C-N 3.32Å; Y93-V95 VanDerWaalsContact C-N 3.29Å; Y93-V95 PolarHBondContact O-N 3.26Å; Y93-C96 CarbonylContact O-C 3.59Å; Y93-C96 PolarHBondContact O-N 2.87Å; Y93-C96 VanDerWaalsContact O-N 3.17Å; Y93-D97 WeakPolarHBondContact O-CA 3.34Å; Y93-D97 VanDerWaalsContact O-CB 3.27Å; Y93-D97 WeakPolarHBondContact O-CB 3.35Å; Y93-D97 PolarHBondContact O-N 2.87Å; Y93-F108 VanDerWaalsContact CA-CE2 3.45Å; Y93-F108 VanDerWaalsContact CB-CZ 3.43Å; Y93-F108 HydrophobicContact CD2-CE1 4.36Å; Y93-F108 AromaticContact CD2-CE2 3.62Å; Y93-F108 HydrophobicContact CD2-CE2 3.62Å; Y93-F108 AromaticContact CD2-CZ 3.22Å; Y93-F108 HydrophobicContact CD2-CZ 3.22Å; Y93-F108 HydrophobicContact CE2-CE2 4.08Å; Y93-F108 HydrophobicContact CE2-CZ 4.04Å; Y93-F108 AromaticContact CG-CE2 3.82Å; Y93-F108 HydrophobicContact CG-CE2 3.82Å; Y93-F108 AromaticContact CG-CZ 3.52Å; Y93-F108 HydrophobicContact CG-CZ 3.52Å
94R63.4Low52.2Low206 Ų20674.2 Ų74.278%0.77741%0.408SS*.Hα-helixtrans-62.1-30.4179.1-67.6-175.4-152.1-169.14.2114.9S90 K91S90-R94 PolarHBondContact O-N 3.12Å; S90-R94 VanDerWaalsContact O-N 3.14Å; K91-R94 PolarHBondContact O-N 2.96Å
95V61.4Low53Low95 Ų9573.6 Ų73.658%0.57640%0.4SS*.Hα-helixtrans-74.5-32.9179168.80000111.5K91 C92 Y93K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.31Å; K91-V95 PolarHBondContact O-N 3.44Å; C92-V95 PolarHBondContact O-N 3.07Å; Y93-V95 VanDerWaalsContact C-N 3.29Å; Y93-V95 PolarHBondContact O-N 3.26Å
96C64.1Low53.6Low0 Ų076.2 Ų76.20%041%0.412CS..Hα-helixtrans-99.4-11.7-177.5-60.70000113.2C92 Y93 K99 E104 C107 F108C92-C96 WeakPolarHBondContact O-CB 3.04Å; C92-C96 PolarHBondContact O-N 2.89Å; C92-C96 PolarHBondContact O-SG 3.3Å; Y93-C96 CarbonylContact O-C 3.59Å; Y93-C96 PolarHBondContact O-N 2.87Å; Y93-C96 VanDerWaalsContact O-N 3.17Å; C96-K99 WeakPolarHBondContact O-CB 3.26Å; C96-K99 PolarHBondContact O-N 3.47Å; C96-K99 VanDerWaalsContact O-N 3.16Å; C96-E104 HydrophobicContact CB-CG 4.45Å; C96-C107 VanDerWaalsContact CA-SG 3.55Å; C96-C107 HydrophobicContact CB-CB 3.84Å; C96-C107 WeakPolarHBondContact CB-SG 3.41Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 PolarHBondContact SG-O 3.4Å; C96-C107 VanDerWaalsContact SG-O 3.41Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 2.96Å; C96-F108 HydrophobicContact CB-CD2 3.98Å; C96-F108 HydrophobicContact CB-CE2 4.37Å; C96-F108 PolarHBondContact SG-N 3.48Å; C96-F108 VanDerWaalsContact SG-N 3.37Å
97D56.5Low54.4Low97 Ų9774.8 Ų74.852%0.51940%0.401SS..THydrogen-bonded Turntrans-56.2133.9179.5-155.810.5000111.4Y93Y93-D97 WeakPolarHBondContact O-CA 3.34Å; Y93-D97 VanDerWaalsContact O-CB 3.27Å; Y93-D97 WeakPolarHBondContact O-CB 3.35Å; Y93-D97 PolarHBondContact O-N 2.87Å
98G50.8Low55.2Low59 Ų5972.9 Ų72.961%0.60839%0.385SS*.THydrogen-bonded Turntrans86.51.6-175.600000115.2
99K50.4Low55.5Low123 Ų12374.6 Ų74.654%0.53539%0.392SS..  trans-101.355.9170.5-65-159.3179.3-172.50111.8C96 T101 E104C96-K99 WeakPolarHBondContact O-CB 3.26Å; C96-K99 PolarHBondContact O-N 3.47Å; C96-K99 VanDerWaalsContact O-N 3.16Å; K99-T101 PolarHBondContact O-N 3.49Å; K99-E104 HydrophobicContact CB-CG 4.47Å; K99-E104 WeakPolarHBondContact O-CB 3.43Å; K99-E104 WeakPolarHBondContact O-CG 3.44Å
100H48.8Very low55.8Low139 Ų13975.5 Ų75.564%0.64440%0.398SS*.  trans-66.763.2-179.8-57.5-48.3000114.8E104H100-E104 WeakPolarHBondContact CA-OE2 3.49Å; H100-E104 IonicContact CE1-OE1 3.61Å; H100-E104 IonicContact CG-OE2 3.49Å; H100-E104 IonicContact ND1-OE1 2.82Å; H100-E104 PolarHBondContact ND1-OE1 3.3Å; H100-E104 IonicContact ND1-OE2 2.99Å; H100-E104 PolarHBondContact ND1-OE2 3.12Å; H100-E104 VanDerWaalsContact ND1-OE2 3.11Å
101T49.1Very low56.4Low76 Ų7673.1 Ų73.147%0.46638%0.381SS..SBendtrans-139.8171.5173.955.90000108.3K99 L103 E104K99-T101 PolarHBondContact O-N 3.49Å; T101-L103 PolarHBondContact O-N 3.15Å; T101-E104 WeakPolarHBondContact O-CB 3.42Å; T101-E104 PolarHBondContact O-N 3.48Å
102S47Very low56.7Low81 Ų8167.2 Ų67.257%0.56636%0.356SS*.THydrogen-bonded Turntrans-53.4-15.9175.547.20000114.6E104S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.23Å
103L50.1Low56.7Low107 Ų10772.4 Ų72.456%0.5638%0.375SS*.Hα-helixtrans-72.8-14.5171.8-72.4160.9000114.2T101 L106 C107T101-L103 PolarHBondContact O-N 3.15Å; L103-L106 HydrophobicContact CD2-CD2 4.4Å; L103-L106 PolarHBondContact O-N 2.71Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 2.74Å
104E53.5Low56.7Low19 Ų1973.4 Ų73.49%0.08938%0.382CS..Hα-helixtrans-67-47.3-179.1-146.5165.1-164.500111.2C96 K99 H100 T101 S102 L106 C107 F108C96-E104 HydrophobicContact CB-CG 4.45Å; K99-E104 HydrophobicContact CB-CG 4.47Å; K99-E104 WeakPolarHBondContact O-CB 3.43Å; K99-E104 WeakPolarHBondContact O-CG 3.44Å; H100-E104 WeakPolarHBondContact CA-OE2 3.49Å; H100-E104 IonicContact CE1-OE1 3.61Å; H100-E104 IonicContact CG-OE2 3.49Å; H100-E104 IonicContact ND1-OE1 2.82Å; H100-E104 PolarHBondContact ND1-OE1 3.3Å; H100-E104 IonicContact ND1-OE2 2.99Å; H100-E104 PolarHBondContact ND1-OE2 3.12Å; H100-E104 VanDerWaalsContact ND1-OE2 3.11Å; T101-E104 WeakPolarHBondContact O-CB 3.42Å; T101-E104 PolarHBondContact O-N 3.48Å; S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.23Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 2.95Å; E104-C107 WeakPolarHBondContact O-CB 3.47Å; E104-C107 PolarHBondContact O-N 3.42Å; E104-F108 WeakPolarHBondContact O-CB 3.21Å; E104-F108 PolarHBondContact O-N 3.19Å
105A52.2Low56.6Low18 Ų1868.6 Ų68.615%0.14937%0.367CS..Hα-helixtrans-62-41.2176.300000111.8L37 F108 H109L37-A105 HydrophobicContact CD2-CB 4Å; A105-F108 WeakPolarHBondContact O-CB 3.31Å; A105-F108 PolarHBondContact O-N 3.02Å; A105-H109 WeakPolarHBondContact O-CB 3.5Å; A105-H109 PolarHBondContact O-N 3.11Å
106L53Low56.5Low107 Ų10765.2 Ų65.256%0.5634%0.344SS*.Hα-helixtrans-67.8-39.5176.3-160.978.5000111.6L103 E104 F108 T110L103-L106 HydrophobicContact CD2-CD2 4.4Å; L103-L106 PolarHBondContact O-N 2.71Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 2.95Å; L106-F108 VanDerWaalsContact C-N 3.33Å; L106-T110 VanDerWaalsContact O-CB 3.27Å; L106-T110 WeakPolarHBondContact O-CB 3.47Å; L106-T110 PolarHBondContact O-N 3.14Å; L106-T110 PolarHBondContact O-OG1 3.4Å
107C56.6Low56Low29 Ų2969.7 Ų69.720%0.19636%0.363CS..Hα-helixtrans-60.2-47.1173.3177.40000110.4C96 L103 E104 T110 C111C96-C107 VanDerWaalsContact CA-SG 3.55Å; C96-C107 HydrophobicContact CB-CB 3.84Å; C96-C107 WeakPolarHBondContact CB-SG 3.41Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 PolarHBondContact SG-O 3.4Å; C96-C107 VanDerWaalsContact SG-O 3.41Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 2.96Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 2.74Å; E104-C107 WeakPolarHBondContact O-CB 3.47Å; E104-C107 PolarHBondContact O-N 3.42Å; C107-T110 PolarHBondContact O-N 2.98Å; C107-C111 VanDerWaalsContact O-CB 3.23Å; C107-C111 WeakPolarHBondContact O-CB 2.99Å; C107-C111 PolarHBondContact O-N 2.82Å
108F62.6Low55.5Low6 Ų666.9 Ų66.93%0.02636%0.357CS..Hα-helixtrans-58.5-52.6179.5-123.2-74.5000111.6Y34 T89 C92 Y93 C96 E104 A105 L106 T110 C111 E112Y34-F108 HydrophobicContact CE1-CB 4.38Å; Y34-F108 HydrophobicContact CE1-CD1 4.36Å; T89-F108 HydrophobicContact CG2-CE1 4.09Å; C92-F108 HydrophobicContact CB-CD1 4.06Å; C92-F108 HydrophobicContact CB-CE1 3.94Å; Y93-F108 VanDerWaalsContact CA-CE2 3.45Å; Y93-F108 VanDerWaalsContact CB-CZ 3.43Å; Y93-F108 HydrophobicContact CD2-CE1 4.36Å; Y93-F108 AromaticContact CD2-CE2 3.62Å; Y93-F108 HydrophobicContact CD2-CE2 3.62Å; Y93-F108 AromaticContact CD2-CZ 3.22Å; Y93-F108 HydrophobicContact CD2-CZ 3.22Å; Y93-F108 HydrophobicContact CE2-CE2 4.08Å; Y93-F108 HydrophobicContact CE2-CZ 4.04Å; Y93-F108 AromaticContact CG-CE2 3.82Å; Y93-F108 HydrophobicContact CG-CE2 3.82Å; Y93-F108 AromaticContact CG-CZ 3.52Å; Y93-F108 HydrophobicContact CG-CZ 3.52Å; C96-F108 HydrophobicContact CB-CD2 3.98Å; C96-F108 HydrophobicContact CB-CE2 4.37Å; C96-F108 PolarHBondContact SG-N 3.48Å; C96-F108 VanDerWaalsContact SG-N 3.37Å; E104-F108 WeakPolarHBondContact O-CB 3.21Å; E104-F108 PolarHBondContact O-N 3.19Å; A105-F108 WeakPolarHBondContact O-CB 3.31Å; A105-F108 PolarHBondContact O-N 3.02Å; L106-F108 VanDerWaalsContact C-N 3.33Å; F108-T110 PolarHBondContact O-N 3.34Å; F108-C111 PolarHBondContact O-N 3.03Å; F108-E112 WeakPolarHBondContact O-CB 3.4Å; F108-E112 PolarHBondContact O-N 3.43Å
109H60Low55.2Low51 Ų5168.8 Ų68.824%0.23635%0.353CS..Hα-helixtrans-58.8-47.8177.2-177.4-53000111A105 C111 E112 W113A105-H109 WeakPolarHBondContact O-CB 3.5Å; A105-H109 PolarHBondContact O-N 3.11Å; H109-C111 VanDerWaalsContact C-N 3.33Å; H109-C111 PolarHBondContact O-N 3.05Å; H109-E112 PolarHBondContact O-N 3.24Å; H109-W113 WeakPolarHBondContact O-CB 3.47Å; H109-W113 PolarHBondContact O-N 3.46Å
110T59.2Low55Low57 Ų5766 Ų6635%0.3534%0.343SS..Hα-helixtrans-64.8-39.1-178.2-54.90000111.5L106 C107 F108 K114L106-T110 VanDerWaalsContact O-CB 3.27Å; L106-T110 WeakPolarHBondContact O-CB 3.47Å; L106-T110 PolarHBondContact O-N 3.14Å; L106-T110 PolarHBondContact O-OG1 3.4Å; C107-T110 PolarHBondContact O-N 2.98Å; F108-T110 PolarHBondContact O-N 3.34Å; T110-K114 WeakPolarHBondContact O-CB 3.43Å; T110-K114 WeakPolarHBondContact O-CG 3.31Å; T110-K114 PolarHBondContact O-N 3.37Å
111C63.8Low54.8Low18 Ų1864.8 Ų64.812%0.12234%0.338CS..Hα-helixtrans-65.3-50.2176.9176.80000111.2C92 C107 F108 H109 W113 K114 K115C92-C111 WeakPolarHBondContact CA-SG 3.41Å; C92-C111 HydrophobicContact CB-CB 3.65Å; C92-C111 WeakPolarHBondContact CB-SG 3.36Å; C92-C111 WeakPolarHBondContact SG-CB 3.3Å; C92-C111 CovalentContact SG-SG 2.05Å; C92-C111 PolarHBondContact SG-SG 3.22Å; C107-C111 VanDerWaalsContact O-CB 3.23Å; C107-C111 WeakPolarHBondContact O-CB 2.99Å; C107-C111 PolarHBondContact O-N 2.82Å; F108-C111 PolarHBondContact O-N 3.03Å; H109-C111 VanDerWaalsContact C-N 3.33Å; H109-C111 PolarHBondContact O-N 3.05Å; C111-W113 VanDerWaalsContact C-N 3.33Å; C111-W113 PolarHBondContact O-N 3.45Å; C111-K114 PolarHBondContact O-N 3.22Å; C111-K115 WeakPolarHBondContact O-CB 3.26Å; C111-K115 VanDerWaalsContact O-CG 3.27Å; C111-K115 WeakPolarHBondContact O-CG 3.24Å; C111-K115 PolarHBondContact O-N 2.87Å
112E66.1Low54Low4 Ų463.1 Ų63.12%0.01934%0.335CS..Hα-helixtrans-60.4-45.5178.2-79.3-132.3-178.500111.1Y34 Y65 I88 T89 C92 F108 H109 K115 R116Y34-E112 VanDerWaalsContact OH-CG 3.26Å; Y34-E112 WeakPolarHBondContact OH-CG 3.03Å; Y34-E112 PolarHBondContact OH-OE1 2.78Å; Y34-E112 PolarHBondContact OH-OE2 3.36Å; Y65-E112 PolarHBondContact OH-OE2 3.09Å; I88-E112 HydrophobicContact CG2-CB 4.49Å; I88-E112 HydrophobicContact CG2-CG 4.07Å; T89-E112 WeakPolarHBondContact CA-OE1 3.49Å; T89-E112 WeakPolarHBondContact CB-OE1 3.48Å; T89-E112 WeakPolarHBondContact CG2-OE1 3.26Å; T89-E112 PolarHBondContact OG1-OE1 2.04Å; C92-E112 HydrophobicContact CB-CG 4.12Å; C92-E112 PolarHBondContact SG-N 2.89Å; F108-E112 WeakPolarHBondContact O-CB 3.4Å; F108-E112 PolarHBondContact O-N 3.43Å; H109-E112 PolarHBondContact O-N 3.24Å; E112-K115 PolarHBondContact O-N 2.75Å; E112-R116 VanDerWaalsContact O-CB 3.31Å; E112-R116 WeakPolarHBondContact O-CB 3.31Å; E112-R116 VanDerWaalsContact O-CG 3.28Å; E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 3.29Å; E112-R116 IonicContact OE2-CZ 3.38Å; E112-R116 IonicContact OE2-NE 3.03Å; E112-R116 PolarHBondContact OE2-NE 3.17Å; E112-R116 IonicContact OE2-NH2 2.84Å; E112-R116 PolarHBondContact OE2-NH2 3.31Å
113W62.9Low53.5Low108 Ų10864.3 Ų64.341%0.40933%0.328SS..Hα-helixtrans-59.4-49.6178.2-178.781.5000112.1H109 C111 K115 R116 K117H109-W113 WeakPolarHBondContact O-CB 3.47Å; H109-W113 PolarHBondContact O-N 3.46Å; C111-W113 VanDerWaalsContact C-N 3.33Å; C111-W113 PolarHBondContact O-N 3.45Å; W113-K115 VanDerWaalsContact C-N 3.33Å; W113-K115 PolarHBondContact O-N 3.4Å; W113-R116 PolarHBondContact O-N 2.98Å; W113-K117 HydrophobicContact CH2-CD 4.14Å; W113-K117 HydrophobicContact CZ2-CD 4.2Å; W113-K117 WeakPolarHBondContact O-CB 3.41Å; W113-K117 PolarHBondContact O-N 3.46Å
114K59.5Low53.1Low141 Ų14163 Ų6361%0.61332%0.322SS*.Hα-helixtrans-61.6-40.9177.6-77.3-174.3178.4-177.70112.3T110 C111 G118T110-K114 WeakPolarHBondContact O-CB 3.43Å; T110-K114 WeakPolarHBondContact O-CG 3.31Å; T110-K114 PolarHBondContact O-N 3.37Å; C111-K114 PolarHBondContact O-N 3.22Å; K114-G118 PolarHBondContact O-N 3.22Å; K114-G118 VanDerWaalsContact O-N 3.13Å
115K62Low52.2Low105 Ų10565.1 Ų65.146%0.45734%0.342SS..Hα-helixtrans-68.7-41.8179.9-73.4-80.1-178.9-170.30111.6I88 C111 E112 W113 G118 L119I88-K115 HydrophobicContact CG2-CB 3.84Å; I88-K115 HydrophobicContact CG2-CG 4.47Å; C111-K115 WeakPolarHBondContact O-CB 3.26Å; C111-K115 VanDerWaalsContact O-CG 3.27Å; C111-K115 WeakPolarHBondContact O-CG 3.24Å; C111-K115 PolarHBondContact O-N 2.87Å; E112-K115 PolarHBondContact O-N 2.75Å; W113-K115 VanDerWaalsContact C-N 3.33Å; W113-K115 PolarHBondContact O-N 3.4Å; K115-G118 PolarHBondContact O-N 2.84Å; K115-L119 PolarHBondContact O-N 3.47Å; K115-L119 VanDerWaalsContact O-N 3.16Å
116R57.9Low51.1Low24 Ų2467.7 Ų67.79%0.09136%0.359CS..Hα-helixtrans-68.9-39.3176.7-73.3174.5-172.3-105.2-0.3112.2Y65 F68 I88 E112 W113 G118 L119 I120Y65-R116 PolarHBondContact OH-NE 3.29Å; Y65-R116 PolarHBondContact OH-NH2 2.99Å; F68-R116 HydrophobicContact CE2-CB 4.09Å; F68-R116 HydrophobicContact CZ-CB 3.92Å; I88-R116 HydrophobicContact CD1-CG 4.29Å; E112-R116 VanDerWaalsContact O-CB 3.31Å; E112-R116 WeakPolarHBondContact O-CB 3.31Å; E112-R116 VanDerWaalsContact O-CG 3.28Å; E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 3.29Å; E112-R116 IonicContact OE2-CZ 3.38Å; E112-R116 IonicContact OE2-NE 3.03Å; E112-R116 PolarHBondContact OE2-NE 3.17Å; E112-R116 IonicContact OE2-NH2 2.84Å; E112-R116 PolarHBondContact OE2-NH2 3.31Å; W113-R116 PolarHBondContact O-N 2.98Å; R116-G118 VanDerWaalsContact C-N 3.34Å; R116-G118 PolarHBondContact O-N 2.83Å; R116-L119 WeakPolarHBondContact O-CB 3.41Å; R116-L119 PolarHBondContact O-N 2.75Å; R116-L119 VanDerWaalsContact O-N 3.11Å; R116-I120 PolarHBondContact O-N 2.92Å
117K53.5Low50Low95 Ų9565.1 Ų65.141%0.41335%0.347SS..Hα-helixtrans-58.9-45172.6-171.3179.1179.4-174.40111.7W113 L119 I120 E121W113-K117 HydrophobicContact CH2-CD 4.14Å; W113-K117 HydrophobicContact CZ2-CD 4.2Å; W113-K117 WeakPolarHBondContact O-CB 3.41Å; W113-K117 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 2.85Å; K117-I120 PolarHBondContact O-N 3.43Å; K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.4Å; K117-E121 PolarHBondContact O-N 3.26Å
118G46.1Very low48.8Very low38 Ų3869.5 Ų69.539%0.39237%0.366SS..Hα-helixtrans-62.2-31174.700000113.8K114 K115 R116 G122K114-G118 PolarHBondContact O-N 3.22Å; K114-G118 VanDerWaalsContact O-N 3.13Å; K115-G118 PolarHBondContact O-N 2.84Å; R116-G118 VanDerWaalsContact C-N 3.34Å; R116-G118 PolarHBondContact O-N 2.83Å; G118-G122 PolarHBondContact O-N 3.49Å
119L44.5Very low47.1Very low98 Ų9872.8 Ų72.851%0.51339%0.39SS..Hα-helixtrans-70.2-40.6172.8-88.7155.7000112.6I88 K115 R116 K117 G122 Y123I88-L119 HydrophobicContact CD1-CD1 3.34Å; I88-L119 HydrophobicContact CG1-CD1 4.34Å; K115-L119 PolarHBondContact O-N 3.47Å; K115-L119 VanDerWaalsContact O-N 3.16Å; R116-L119 WeakPolarHBondContact O-CB 3.41Å; R116-L119 PolarHBondContact O-N 2.75Å; R116-L119 VanDerWaalsContact O-N 3.11Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 2.85Å; L119-G122 PolarHBondContact O-N 3.01Å; L119-Y123 VanDerWaalsContact O-CB 3.31Å; L119-Y123 WeakPolarHBondContact O-CB 3.34Å; L119-Y123 PolarHBondContact O-N 3.21Å
120I46.9Very low45.6Very low65 Ų6574.9 Ų74.933%0.33341%0.41SS..Hα-helixtrans-61.9-48.7173.1-67.7162.6000110.5F68 R116 K117 G122 Y123 N124F68-I120 HydrophobicContact CD2-CD1 3.97Å; F68-I120 HydrophobicContact CE1-CG1 4.15Å; F68-I120 HydrophobicContact CE2-CD1 3.12Å; F68-I120 HydrophobicContact CE2-CG1 3.63Å; F68-I120 HydrophobicContact CZ-CD1 3.46Å; F68-I120 VanDerWaalsContact CZ-CD1 3.46Å; F68-I120 HydrophobicContact CZ-CG1 3.36Å; R116-I120 PolarHBondContact O-N 2.92Å; K117-I120 PolarHBondContact O-N 3.43Å; I120-G122 VanDerWaalsContact C-N 3.28Å; I120-G122 PolarHBondContact O-N 3.18Å; I120-Y123 PolarHBondContact O-N 3.46Å; I120-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I120-N124 WeakPolarHBondContact O-CB 3.45Å; I120-N124 PolarHBondContact O-N 3.08Å
121E44.1Very low44.3Very low113 Ų11377.3 Ų77.353%0.52842%0.424SS..Hα-helixtrans-60.2-42.3-180-72.5172.4175.400110.5K117 A125K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.4Å; K117-E121 PolarHBondContact O-N 3.26Å; E121-A125 VanDerWaalsContact O-CB 3.26Å; E121-A125 WeakPolarHBondContact O-CB 2.76Å; E121-A125 PolarHBondContact O-N 3.31Å
122G33.6Very low42.7Very low41 Ų4184.3 Ų84.342%0.42346%0.455SS..Hα-helixtrans-64.2-42.9173.600000113.8G118 L119 I120 C126G118-G122 PolarHBondContact O-N 3.49Å; L119-G122 PolarHBondContact O-N 3.01Å; I120-G122 VanDerWaalsContact C-N 3.28Å; I120-G122 PolarHBondContact O-N 3.18Å; G122-C126 VanDerWaalsContact O-CB 3.24Å; G122-C126 WeakPolarHBondContact O-CB 3.48Å; G122-C126 PolarHBondContact O-N 3.38Å
123Y36.4Very low41Very low107 Ų10796.1 Ų96.142%0.4251%0.511SS..Hα-helixtrans-66.3-45.3178.4178.6-92.6000112L119 I120 C126 T127L119-Y123 VanDerWaalsContact O-CB 3.31Å; L119-Y123 WeakPolarHBondContact O-CB 3.34Å; L119-Y123 PolarHBondContact O-N 3.21Å; I120-Y123 PolarHBondContact O-N 3.46Å; Y123-C126 PolarHBondContact O-N 3.06Å; Y123-T127 HydrophobicContact CD1-CG2 4.38Å; Y123-T127 HydrophobicContact CE1-CG2 3.81Å; Y123-T127 HydrophobicContact CE2-CG2 4.22Å; Y123-T127 PolarHBondContact O-N 3.24Å; Y123-T127 PolarHBondContact O-OG1 2.81Å
124N41Very low39.9Very low80 Ų8095.6 Ų95.643%0.42852%0.516SS..Hα-helixtrans-64.3-42.8177.4-73.9-13.2000111.3I120 C126 T127 M128I120-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I120-N124 WeakPolarHBondContact O-CB 3.45Å; I120-N124 PolarHBondContact O-N 3.08Å; N124-C126 VanDerWaalsContact C-N 3.32Å; N124-C126 PolarHBondContact O-N 2.87Å; N124-T127 WeakPolarHBondContact CA-OG1 3.36Å; N124-T127 PolarHBondContact O-N 3.24Å; N124-T127 PolarHBondContact O-OG1 3.36Å; N124-M128 WeakPolarHBondContact O-CB 3.29Å; N124-M128 VanDerWaalsContact O-CG 3.29Å; N124-M128 WeakPolarHBondContact O-CG 3.4Å; N124-M128 PolarHBondContact O-N 2.75Å
125A34.4Very low38.9Very low62 Ų6293.2 Ų93.251%0.51251%0.511SS..Hα-helixtrans-61.1-43.1174.900000111.5E121 S129E121-A125 VanDerWaalsContact O-CB 3.26Å; E121-A125 WeakPolarHBondContact O-CB 2.76Å; E121-A125 PolarHBondContact O-N 3.31Å; A125-S129 PolarHBondContact O-N 3.37Å; A125-S129 VanDerWaalsContact O-N 3.11Å; A125-S129 PolarHBondContact O-OG 3.3Å; A125-S129 VanDerWaalsContact O-OG 3.1Å
126C28.1Very low37.6Very low73 Ų7392.5 Ų92.549%0.49351%0.514SS..Hα-helixtrans-65.9-44.6178.7-166.30000112.3G122 Y123 N124 S129 C130G122-C126 VanDerWaalsContact O-CB 3.24Å; G122-C126 WeakPolarHBondContact O-CB 3.48Å; G122-C126 PolarHBondContact O-N 3.38Å; Y123-C126 PolarHBondContact O-N 3.06Å; N124-C126 VanDerWaalsContact C-N 3.32Å; N124-C126 PolarHBondContact O-N 2.87Å; C126-S129 WeakPolarHBondContact CA-OG 3.2Å; C126-S129 PolarHBondContact O-N 3.11Å; C126-S129 PolarHBondContact O-OG 3.16Å; C126-C130 PolarHBondContact O-N 2.97Å; C126-C130 VanDerWaalsContact O-N 3.12Å; C126-C130 PolarHBondContact O-SG 3.21Å
127T31Very low36.4Very low52 Ų5296.5 Ų96.532%0.31954%0.538SS..Hα-helixtrans-66.9-39.2177.836.70000112.5Y123 N124 C130 T131Y123-T127 HydrophobicContact CD1-CG2 4.38Å; Y123-T127 HydrophobicContact CE1-CG2 3.81Å; Y123-T127 HydrophobicContact CE2-CG2 4.22Å; Y123-T127 PolarHBondContact O-N 3.24Å; Y123-T127 PolarHBondContact O-OG1 2.81Å; N124-T127 WeakPolarHBondContact CA-OG1 3.36Å; N124-T127 PolarHBondContact O-N 3.24Å; N124-T127 PolarHBondContact O-OG1 3.36Å; T127-C130 PolarHBondContact O-N 3.16Å; T127-T131 PolarHBondContact O-N 3.23Å; T127-T131 PolarHBondContact O-OG1 3.12Å
128M30.4Very low35.3Very low121 Ų12196.6 Ų96.660%0.59655%0.546SS*.Hα-helixtrans-61.7-42.9173.9-74.6-177.863.900112.2N124 C130 T131N124-M128 WeakPolarHBondContact O-CB 3.29Å; N124-M128 VanDerWaalsContact O-CG 3.29Å; N124-M128 WeakPolarHBondContact O-CG 3.4Å; N124-M128 PolarHBondContact O-N 2.75Å; M128-C130 VanDerWaalsContact C-N 3.26Å; M128-C130 PolarHBondContact O-N 3.46Å; M128-T131 PolarHBondContact O-N 2.95Å; M128-T131 PolarHBondContact O-OG1 3.1Å
129S28.6Very low34.6Very low75 Ų75100.5 Ų100.552%0.52456%0.557SS.*Hα-helixtrans-67.2-24.2176.252.60000114.1A125 C126A125-S129 PolarHBondContact O-N 3.37Å; A125-S129 VanDerWaalsContact O-N 3.11Å; A125-S129 PolarHBondContact O-OG 3.3Å; A125-S129 VanDerWaalsContact O-OG 3.1Å; C126-S129 WeakPolarHBondContact CA-OG 3.2Å; C126-S129 PolarHBondContact O-N 3.11Å; C126-S129 PolarHBondContact O-OG 3.16Å
130C27.5Very low33.9Very low96 Ų96100.7 Ų100.765%0.64956%0.56SS**Hα-helixtrans-83.9-10.5176.4-68.80000113.5C126 T127 M128C126-C130 PolarHBondContact O-N 2.97Å; C126-C130 VanDerWaalsContact O-N 3.12Å; C126-C130 PolarHBondContact O-SG 3.21Å; T127-C130 PolarHBondContact O-N 3.16Å; M128-C130 VanDerWaalsContact C-N 3.26Å; M128-C130 PolarHBondContact O-N 3.46Å
131T31.7Very low32.9Very low107 Ų107103.5 Ų103.566%0.65658%0.577SS**SBendtrans-104.2-1.4178.546.90000114T127 M128T127-T131 PolarHBondContact O-N 3.23Å; T127-T131 PolarHBondContact O-OG1 3.12Å; M128-T131 PolarHBondContact O-N 2.95Å; M128-T131 PolarHBondContact O-OG1 3.1Å
132E30.4Very low32Very low165 Ų165102.7 Ų102.777%0.77158%0.581SS**  trans-95.424.7179.8-76.4-172.315800114.4
133E30.4Very low31.8Very low253 Ų253108.3 Ų108.3100%1.18260%0.596SS**  trans-96.10165.8-72.1-171.9158.400112.1

Retrieved 133 of 133 residues in 107.1 ms (Link to these results)

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