A0A087Y7N9_POEFO Loading...

SH3-domain GRB2-like 3b

AlphaFold DB (A0A3B3V878), UniProt , Accession A0A087Y7N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 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
1M54.1Low76.3Confident192 Ų192103 Ų10395%0.94655%0.546SS*.  0132.60-76.1-164.6-64.700108.9M6M1-M6 HydrophobicContact CE-CE 4.18Å
2S74.6Confident77.2Confident88 Ų8896.9 Ų96.962%0.61551%0.511SS*.  trans-67.9147.8174.9169.10000111.5S4 G5 M6S2-S4 PolarHBondContact O-N 3.3Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-N 3.21Å; S2-G5 WeakPolarHBondContact O-CA 3.3Å; S2-G5 PolarHBondContact O-N 2.72Å; S2-M6 PolarHBondContact O-N 2.92Å; S2-M6 VanDerWaalsContact O-N 3.14Å
3V71.5Confident77.4Confident106 Ų10694.1 Ų94.164%0.64251%0.51SS*.Hα-helixtrans-51.9-36176.6178.20000111.9M6 K7V3-M6 PolarHBondContact O-N 2.96Å; V3-K7 PolarHBondContact O-N 3.08Å; V3-K7 VanDerWaalsContact O-N 3.12Å
4S72.4Confident77.8Confident91 Ų9190.5 Ų90.564%0.63650%0.496SS*.Hα-helixtrans-65.1-38.7175.3-177.60000112.5S2 K8S2-S4 PolarHBondContact O-N 3.3Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-N 3.21Å; S4-K8 PolarHBondContact O-N 3.26Å; S4-K8 VanDerWaalsContact O-N 3.17Å
5G75.2Confident78.4Confident32 Ų3284.7 Ų84.733%0.3346%0.464SS..Hα-helixtrans-66.8-37.7175.500000112.8S2 K8 Q9S2-G5 WeakPolarHBondContact O-CA 3.3Å; S2-G5 PolarHBondContact O-N 2.72Å; G5-K8 PolarHBondContact O-N 3.01Å; G5-Q9 WeakPolarHBondContact O-CG 3.33Å; G5-Q9 PolarHBondContact O-N 3.04Å; G5-Q9 VanDerWaalsContact O-N 3.16Å
6M76.6Confident78.6Confident112 Ų11284.1 Ų84.155%0.55246%0.459SS*.Hα-helixtrans-67.8-43.4178.5-162.2175.2-71.400111.8M1 S2 V3 K8 Q9 F10M1-M6 HydrophobicContact CE-CE 4.18Å; S2-M6 PolarHBondContact O-N 2.92Å; S2-M6 VanDerWaalsContact O-N 3.14Å; V3-M6 PolarHBondContact O-N 2.96Å; M6-K8 VanDerWaalsContact C-N 3.31Å; M6-K8 PolarHBondContact O-N 3.23Å; M6-Q9 PolarHBondContact O-N 3.22Å; M6-F10 PolarHBondContact O-N 3.48Å
7K82.5Confident78.7Confident134 Ų13484.5 Ų84.558%0.58346%0.46SS*.Hα-helixtrans-57.9-42.6172.6-74.6-177.8178.4-179.30112V3 Q9 F10 H11V3-K7 PolarHBondContact O-N 3.08Å; V3-K7 VanDerWaalsContact O-N 3.12Å; K7-Q9 VanDerWaalsContact C-N 3.35Å; K7-Q9 PolarHBondContact O-N 3.32Å; K7-F10 WeakPolarHBondContact O-CB 3.31Å; K7-F10 PolarHBondContact O-N 2.87Å; K7-H11 PolarHBondContact O-CD2 3.06Å; K7-H11 VanDerWaalsContact O-CD2 3.24Å; K7-H11 VanDerWaalsContact O-CG 3.26Å; K7-H11 PolarHBondContact O-N 3.42Å
8K82.1Confident78.8Confident62 Ų6282.5 Ų82.527%0.2745%0.449SS..Hα-helixtrans-61.5-40.7177.7-168.9173.9-172.7171.80112.5S4 G5 M6 H11 K12 D167S4-K8 PolarHBondContact O-N 3.26Å; S4-K8 VanDerWaalsContact O-N 3.17Å; G5-K8 PolarHBondContact O-N 3.01Å; M6-K8 VanDerWaalsContact C-N 3.31Å; M6-K8 PolarHBondContact O-N 3.23Å; K8-H11 PolarHBondContact O-N 3.24Å; K8-K12 WeakPolarHBondContact O-CG 3.48Å; K8-K12 PolarHBondContact O-N 2.94Å; K8-D167 WeakPolarHBondContact CE-OD1 3.42Å; K8-D167 VanDerWaalsContact CE-OD2 3.24Å; K8-D167 WeakPolarHBondContact CE-OD2 3.49Å; K8-D167 IonicContact NZ-OD1 3.55Å; K8-D167 IonicContact NZ-OD2 3.66Å; K8-D167 PolarHBondContact NZ-OD2 3.12Å; K8-D167 VanDerWaalsContact NZ-OD2 3.08Å
9Q82.3Confident79.1Confident110 Ų11080.2 Ų80.251%0.51444%0.435SS..Hα-helixtrans-66.8-39.2176.3-64.9-60.8-21.300111.9G5 M6 K7 H11 K12 A13G5-Q9 WeakPolarHBondContact O-CG 3.33Å; G5-Q9 PolarHBondContact O-N 3.04Å; G5-Q9 VanDerWaalsContact O-N 3.16Å; M6-Q9 PolarHBondContact O-N 3.22Å; K7-Q9 VanDerWaalsContact C-N 3.35Å; K7-Q9 PolarHBondContact O-N 3.32Å; Q9-H11 VanDerWaalsContact C-N 3.33Å; Q9-H11 PolarHBondContact O-N 3.2Å; Q9-K12 PolarHBondContact O-N 2.9Å; Q9-A13 PolarHBondContact O-N 3.29Å
10F81.8Confident79.2Confident149 Ų14986.6 Ų86.665%0.65445%0.453SS*.Hα-helixtrans-61.3-40.5175.5-167.8-95.3000112.2M6 K7 A13 S14M6-F10 PolarHBondContact O-N 3.48Å; K7-F10 WeakPolarHBondContact O-CB 3.31Å; K7-F10 PolarHBondContact O-N 2.87Å; F10-A13 PolarHBondContact O-N 3.12Å; F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.13Å
11H86.7Confident78.9Confident57 Ų5788.9 Ų88.926%0.26446%0.464SS..Hα-helixtrans-64-42176.1-62.5-27.2000112.7K7 K8 Q9 S14 Q15 Y170K7-H11 PolarHBondContact O-CD2 3.06Å; K7-H11 VanDerWaalsContact O-CD2 3.24Å; K7-H11 VanDerWaalsContact O-CG 3.26Å; K7-H11 PolarHBondContact O-N 3.42Å; K8-H11 PolarHBondContact O-N 3.24Å; Q9-H11 VanDerWaalsContact C-N 3.33Å; Q9-H11 PolarHBondContact O-N 3.2Å; H11-S14 PolarHBondContact O-N 3.29Å; H11-Q15 WeakPolarHBondContact O-CB 3.3Å; H11-Q15 PolarHBondContact O-N 3.44Å; H11-Y170 HydrophobicContact CB-CD1 4Å; H11-Y170 HydrophobicContact CB-CD2 4.09Å; H11-Y170 HydrophobicContact CB-CE1 3.9Å; H11-Y170 HydrophobicContact CB-CE2 3.97Å; H11-Y170 HydrophobicContact CB-CG 4.1Å; H11-Y170 AromaticContact CD2-CE1 3.98Å; H11-Y170 PolarHBondContact CE1-OH 2.75Å; H11-Y170 AromaticContact CG-CE1 3.71Å; H11-Y170 AromaticContact CG-CZ 3.59Å; H11-Y170 AromaticContact ND1-CZ 3.51Å; H11-Y170 PolarHBondContact ND1-OH 3.37Å
12K86.8Confident79.6Confident30 Ų3086.5 Ų86.513%0.1345%0.453CS..Hα-helixtrans-62.9-42.9174.7-67.4175.7-177.8-164.40112.1K8 Q9 Q15 L16 G163 L166K8-K12 WeakPolarHBondContact O-CG 3.48Å; K8-K12 PolarHBondContact O-N 2.94Å; Q9-K12 PolarHBondContact O-N 2.9Å; K12-Q15 PolarHBondContact O-N 3.07Å; K12-L16 WeakPolarHBondContact O-CB 3.26Å; K12-L16 PolarHBondContact O-N 3.2Å; K12-G163 WeakPolarHBondContact CE-O 3.25Å; K12-G163 PolarHBondContact NZ-O 3.08Å; K12-G163 VanDerWaalsContact NZ-O 3.1Å; K12-L166 HydrophobicContact CB-CB 4.31Å; K12-L166 HydrophobicContact CG-CB 4.3Å
13A79.5Confident79.5Confident60 Ų6085.5 Ų85.550%0.49646%0.456SS..Hα-helixtrans-64.5-45.217800000111.7Q9 F10 Q15 L16 L17Q9-A13 PolarHBondContact O-N 3.29Å; F10-A13 PolarHBondContact O-N 3.12Å; A13-Q15 VanDerWaalsContact C-N 3.29Å; A13-Q15 PolarHBondContact O-N 2.86Å; A13-L16 PolarHBondContact O-N 3Å; A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 PolarHBondContact O-N 3.25Å
14S83.6Confident79.6Confident44 Ų4481.9 Ų81.931%0.30844%0.438SS..Hα-helixtrans-59.6-40.5174.9174.60000112F10 H11 L17 N18F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.13Å; H11-S14 PolarHBondContact O-N 3.29Å; S14-L17 PolarHBondContact O-N 3.28Å; S14-N18 PolarHBondContact O-N 3.4Å
15Q86.8Confident79.7Confident3 Ų384.8 Ų84.81%0.01444%0.441CS..Hα-helixtrans-65.8-46.1177177.462.119.100112.3H11 K12 A13 L17 N18 E19 L166 D169 Y170H11-Q15 WeakPolarHBondContact O-CB 3.3Å; H11-Q15 PolarHBondContact O-N 3.44Å; K12-Q15 PolarHBondContact O-N 3.07Å; A13-Q15 VanDerWaalsContact C-N 3.29Å; A13-Q15 PolarHBondContact O-N 2.86Å; Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 2.71Å; Q15-N18 PolarHBondContact O-N 2.89Å; Q15-E19 PolarHBondContact NE2-OE1 2.8Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.03Å; Q15-L166 HydrophobicContact CB-CD2 4.4Å; Q15-L166 HydrophobicContact CG-CB 4.29Å; Q15-L166 HydrophobicContact CG-CD2 3.82Å; Q15-L166 WeakPolarHBondContact CG-O 3.47Å; Q15-D169 HydrophobicContact CG-CB 4.28Å; Q15-Y170 HydrophobicContact CB-CD2 4.41Å
16L81.4Confident79.9Confident76 Ų7684.2 Ų84.240%0.39844%0.435SS..Hα-helixtrans-59.2-40.6176.5-177151.6000111.4K12 A13 E19 R20 L166K12-L16 WeakPolarHBondContact O-CB 3.26Å; K12-L16 PolarHBondContact O-N 3.2Å; A13-L16 PolarHBondContact O-N 3Å; L16-E19 PolarHBondContact O-N 3.15Å; L16-R20 HydrophobicContact CD2-CG 4.12Å; L16-R20 WeakPolarHBondContact O-CB 3.3Å; L16-R20 WeakPolarHBondContact O-CG 3.42Å; L16-R20 PolarHBondContact O-N 3.23Å; L16-L166 HydrophobicContact CB-CD1 4.21Å; L16-L166 HydrophobicContact CB-CD2 4.15Å; L16-L166 HydrophobicContact CD1-CD1 4.17Å
17L80.9Confident80.4Confident91 Ų9179.9 Ų79.948%0.47642%0.415SS..Hα-helixtrans-64.9-41.2177.4-170.9133.8000111.9A13 S14 Q15 E19 R20 L21A13-L17 WeakPolarHBondContact O-CB 3.49Å; A13-L17 PolarHBondContact O-N 3.25Å; S14-L17 PolarHBondContact O-N 3.28Å; Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 2.71Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.4Å; L17-R20 PolarHBondContact O-N 3.16Å; L17-L21 HydrophobicContact CD1-CD1 4.05Å; L17-L21 HydrophobicContact CD2-CD1 4.05Å; L17-L21 HydrophobicContact CG-CD1 3.75Å; L17-L21 HydrophobicContact CG-CG 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.08Å
18N80.2Confident80.6Confident48 Ų4881.2 Ų81.226%0.25742%0.421SS..Hα-helixtrans-64.2-37.1175.1-79.7-16.2000112.9S14 Q15 M22 G23 A24S14-N18 PolarHBondContact O-N 3.4Å; Q15-N18 PolarHBondContact O-N 2.89Å; N18-M22 CarbonylContact O-C 3.58Å; N18-M22 WeakPolarHBondContact O-CA 3.34Å; N18-M22 WeakPolarHBondContact O-CB 3.41Å; N18-M22 PolarHBondContact O-N 3.45Å; N18-M22 VanDerWaalsContact O-N 3.12Å; N18-G23 PolarHBondContact O-N 3.33Å; N18-A24 PolarHBondContact O-N 3.29Å
19E84.8Confident81Confident39 Ų3979.8 Ų79.818%0.18242%0.416CS..Hα-helixtrans-69-37.6176-67.8175.9-159.300111.9Q15 L16 L17 A24 R165 R173Q15-E19 PolarHBondContact NE2-OE1 2.8Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.03Å; L16-E19 PolarHBondContact O-N 3.15Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.4Å; E19-A24 WeakPolarHBondContact CA-O 3.42Å; E19-A24 WeakPolarHBondContact CG-O 3.47Å; E19-R165 IonicContact OE1-NH2 3.44Å; E19-R165 IonicContact OE2-CZ 2.6Å; E19-R165 IonicContact OE2-NH1 3.94Å; E19-R165 PolarHBondContact OE2-NH1 3.36Å; E19-R165 IonicContact OE2-NH2 3.48Å; E19-R165 PolarHBondContact OE2-NH2 3.31Å; E19-R173 IonicContact OE1-NH2 3.74Å
20R79.6Confident81.4Confident208 Ų20877 Ų7779%0.78541%0.405SS*.Hα-helixtrans-80.3-38.6-177.2-73.6-97-178.3153.6-2.9114.2L16 L17L16-R20 HydrophobicContact CD2-CG 4.12Å; L16-R20 WeakPolarHBondContact O-CB 3.3Å; L16-R20 WeakPolarHBondContact O-CG 3.42Å; L16-R20 PolarHBondContact O-N 3.23Å; L17-R20 PolarHBondContact O-N 3.16Å
21L72.9Confident82Confident134 Ų13477 Ų7770%0.70241%0.407SS*.Hα-helixtrans-111-25.9-169.6-63.9179.5000113.9L17L17-L21 HydrophobicContact CD1-CD1 4.05Å; L17-L21 HydrophobicContact CD2-CD1 4.05Å; L17-L21 HydrophobicContact CG-CD1 3.75Å; L17-L21 HydrophobicContact CG-CG 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.08Å
22M70.2Confident82.3Confident142 Ų14279.6 Ų79.670%0.742%0.423SS*.SBendtrans-112.29.7-173.4-59.7-159.771.500113.5N18 A24N18-M22 CarbonylContact O-C 3.58Å; N18-M22 WeakPolarHBondContact O-CA 3.34Å; N18-M22 WeakPolarHBondContact O-CB 3.41Å; N18-M22 PolarHBondContact O-N 3.45Å; N18-M22 VanDerWaalsContact O-N 3.12Å; M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 2.91Å
23G72.3Confident82.8Confident67 Ų6778.2 Ų78.269%0.69142%0.417SS*.  trans69.616.817300000115.2N18 E25N18-G23 PolarHBondContact O-N 3.33Å; G23-E25 PolarHBondContact O-N 2.93Å
24A72.6Confident83.5Confident30 Ų3078.5 Ų78.525%0.24841%0.41CS..PPolyproline II helixtrans-78.9121.8-177.100000111.3N18 E19 M22 G26 R173N18-A24 PolarHBondContact O-N 3.29Å; E19-A24 WeakPolarHBondContact CA-O 3.42Å; E19-A24 WeakPolarHBondContact CG-O 3.47Å; M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 2.91Å; A24-G26 PolarHBondContact O-N 3.04Å; A24-R173 VanDerWaalsContact CB-NH2 3.33Å; A24-R173 PolarHBondContact O-NH2 2.86Å
25E75.1Confident84.1Confident152 Ų15283.4 Ų83.471%0.7143%0.425SS*.PPolyproline II helixtrans-66.2132.9177.6-67.9-164.4144.300111.4G23 K28 R173G23-E25 PolarHBondContact O-N 2.93Å; E25-K28 IonicContact OE1-NZ 3.33Å; E25-R173 PolarHBondContact O-NH2 3.45Å
26G80.3Confident84.6Confident20 Ų2084.7 Ų84.721%0.20643%0.432CS..PPolyproline II helixtrans-89.8169170.200000111.3A24 K28 D169A24-G26 PolarHBondContact O-N 3.04Å; G26-K28 PolarHBondContact O-N 2.89Å; G26-D169 WeakPolarHBondContact CA-OD2 3.48Å
27T86.4Confident85.3Confident22 Ų2284.3 Ų84.314%0.13543%0.428CS..PPolyproline II helixtrans-60.7124.2172.2-67.50000109.4R165 F168 D169 W187 F190T27-R165 WeakPolarHBondContact O-CD 3.48Å; T27-R165 PolarHBondContact O-NH1 2.95Å; T27-F168 WeakPolarHBondContact OG1-CE1 3.45Å; T27-D169 WeakPolarHBondContact CB-OD1 3.23Å; T27-D169 PolarHBondContact N-OD1 2.87Å; T27-D169 PolarHBondContact N-OD2 3.24Å; T27-D169 PolarHBondContact OG1-OD1 3.46Å; T27-W187 HydrophobicContact CG2-CZ3 4.35Å; T27-F190 HydrophobicContact CG2-CE1 3.97Å; T27-F190 HydrophobicContact CG2-CZ 4.23Å
28K86.8Confident86Confident161 Ų16187.3 Ų87.370%0.744%0.437SS*.PPolyproline II helixtrans-76.6141.4179.2-64.5-174.9-177.8177.60110.1E25 G26E25-K28 IonicContact OE1-NZ 3.33Å; G26-K28 PolarHBondContact O-N 2.89Å
29L89.5Confident86.8Confident33 Ų3388.2 Ų88.217%0.17344%0.444CS..PPolyproline II helixtrans-87.3154.2166.4-63.4167.3000107.8F33 L34 V161 F190 K194L29-F33 HydrophobicContact CB-CD1 4.18Å; L29-F33 HydrophobicContact CD1-CD1 3.76Å; L29-F33 HydrophobicContact CD1-CE1 3.71Å; L29-F33 HydrophobicContact CD2-CD1 4.38Å; L29-F33 HydrophobicContact CD2-CE1 4.49Å; L29-F33 HydrophobicContact CG-CD1 4.32Å; L29-L34 HydrophobicContact CB-CD2 4.09Å; L29-L34 HydrophobicContact CB-CG 4.13Å; L29-L34 HydrophobicContact CD1-CD2 4.17Å; L29-V161 HydrophobicContact CD2-CG1 4.48Å; L29-F190 HydrophobicContact CD2-CE2 4.2Å; L29-F190 HydrophobicContact CD2-CZ 3.87Å; L29-K194 HydrophobicContact CD2-CD 4.17Å; L29-K194 HydrophobicContact CD2-CG 4.38Å
30D91.1Very high87.3Confident51 Ų5186.7 Ų86.727%0.27344%0.438SS..PPolyproline II helixtrans-69.8158.3174.358.497.3000111.5D32 F33 L34 K194D30-D32 VanDerWaalsContact C-N 3.31Å; D30-D32 PolarHBondContact O-N 3.28Å; D30-D32 PolarHBondContact OD1-N 3.04Å; D30-F33 PolarHBondContact O-N 3.31Å; D30-F33 WeakPolarHBondContact OD1-CB 3.24Å; D30-F33 PolarHBondContact OD1-N 2.82Å; D30-F33 WeakPolarHBondContact OD2-CB 3.36Å; D30-L34 WeakPolarHBondContact O-CG 3.39Å; D30-L34 PolarHBondContact O-N 3.48Å; D30-L34 VanDerWaalsContact O-N 3.15Å; D30-K194 WeakPolarHBondContact OD2-CE 3.27Å; D30-K194 IonicContact OD2-NZ 3.08Å; D30-K194 PolarHBondContact OD2-NZ 3.3Å
31E94.1Very high88Confident149 Ų14979.5 Ų79.570%0.69642%0.422SS*.Hα-helixtrans-63.4-35.6-176.1-66.4-60.6146.600112.6L34 K35E31-L34 PolarHBondContact O-N 2.6Å; E31-K35 VanDerWaalsContact O-CB 3.32Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 PolarHBondContact O-N 3.22Å
32D93.9Very high89.1Confident111 Ų11177.4 Ų77.459%0.59442%0.415SS*.Hα-helixtrans-67.2-43.8-179.8-68.9-31.4000111.1D30 L34 K35 M36D30-D32 VanDerWaalsContact C-N 3.31Å; D30-D32 PolarHBondContact O-N 3.28Å; D30-D32 PolarHBondContact OD1-N 3.04Å; D32-L34 PolarHBondContact O-N 2.98Å; D32-K35 PolarHBondContact O-N 3.37Å; D32-M36 WeakPolarHBondContact O-CG 3.06Å; D32-M36 PolarHBondContact O-N 2.88Å
33F96.2Very high90.3Very high1 Ų171.6 Ų71.60%0.00439%0.386CS..Hα-helixtrans-57.9-47.2172.7-173.2-79.9000111.7L29 D30 K35 M36 E37 L158 V161 K194 A197 E198 M201L29-F33 HydrophobicContact CB-CD1 4.18Å; L29-F33 HydrophobicContact CD1-CD1 3.76Å; L29-F33 HydrophobicContact CD1-CE1 3.71Å; L29-F33 HydrophobicContact CD2-CD1 4.38Å; L29-F33 HydrophobicContact CD2-CE1 4.49Å; L29-F33 HydrophobicContact CG-CD1 4.32Å; D30-F33 PolarHBondContact O-N 3.31Å; D30-F33 WeakPolarHBondContact OD1-CB 3.24Å; D30-F33 PolarHBondContact OD1-N 2.82Å; D30-F33 WeakPolarHBondContact OD2-CB 3.36Å; F33-K35 VanDerWaalsContact C-N 3.33Å; F33-K35 PolarHBondContact O-N 2.86Å; F33-M36 PolarHBondContact O-N 3.4Å; F33-E37 WeakPolarHBondContact O-CB 3.33Å; F33-E37 PolarHBondContact O-N 2.85Å; F33-L158 HydrophobicContact CE1-CD2 4.04Å; F33-L158 HydrophobicContact CZ-CD2 3.76Å; F33-V161 HydrophobicContact CZ-CG1 4.32Å; F33-K194 HydrophobicContact CD2-CG 3.94Å; F33-K194 HydrophobicContact CE2-CG 3.74Å; F33-K194 HydrophobicContact CZ-CG 4.45Å; F33-A197 HydrophobicContact CE2-CB 4.22Å; F33-A197 HydrophobicContact CZ-CB 4.29Å; F33-E198 HydrophobicContact CD2-CB 4.01Å; F33-E198 HydrophobicContact CD2-CG 4.11Å; F33-E198 HydrophobicContact CE2-CB 4.12Å; F33-M201 HydrophobicContact CD1-CE 4.45Å; F33-M201 HydrophobicContact CD2-CE 3.89Å; F33-M201 HydrophobicContact CE1-CE 4.18Å; F33-M201 HydrophobicContact CE2-CE 3.6Å; F33-M201 HydrophobicContact CG-CE 4.31Å; F33-M201 HydrophobicContact CZ-CE 3.76Å
34L95.3Very high91.3Very high67 Ų6771 Ų7135%0.35137%0.368SS..Hα-helixtrans-64.7-37.9179.4-68174.5000111.9L29 D30 E31 D32 E37 K38L29-L34 HydrophobicContact CB-CD2 4.09Å; L29-L34 HydrophobicContact CB-CG 4.13Å; L29-L34 HydrophobicContact CD1-CD2 4.17Å; D30-L34 WeakPolarHBondContact O-CG 3.39Å; D30-L34 PolarHBondContact O-N 3.48Å; D30-L34 VanDerWaalsContact O-N 3.15Å; E31-L34 PolarHBondContact O-N 2.6Å; D32-L34 PolarHBondContact O-N 2.98Å; L34-E37 PolarHBondContact O-N 3.24Å; L34-K38 WeakPolarHBondContact O-CB 3.34Å; L34-K38 PolarHBondContact O-N 3.09Å
35K96.1Very high92.5Very high146 Ų14674.5 Ų74.564%0.63539%0.385SS*.Hα-helixtrans-64.3-44.7175.2-174.3-175.1175.9-173.10111.4E31 D32 F33 K38 T39E31-K35 VanDerWaalsContact O-CB 3.32Å; E31-K35 WeakPolarHBondContact O-CB 3.32Å; E31-K35 PolarHBondContact O-N 3.22Å; D32-K35 PolarHBondContact O-N 3.37Å; F33-K35 VanDerWaalsContact C-N 3.33Å; F33-K35 PolarHBondContact O-N 2.86Å; K35-K38 PolarHBondContact O-N 3.28Å; K35-T39 WeakPolarHBondContact O-CB 3.43Å; K35-T39 PolarHBondContact O-N 3.23Å; K35-T39 PolarHBondContact O-OG1 2.86Å
36M96.6Very high93.4Very high30 Ų3071.5 Ų71.515%0.14837%0.374CS..Hα-helixtrans-63.3-46.7175.1-73.9-172.9-77.400111.4D32 F33 K38 T39 V40 E198 M201 F202 L205D32-M36 WeakPolarHBondContact O-CG 3.06Å; D32-M36 PolarHBondContact O-N 2.88Å; F33-M36 PolarHBondContact O-N 3.4Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.3Å; M36-T39 PolarHBondContact O-N 3.21Å; M36-T39 VanDerWaalsContact O-N 3.11Å; M36-V40 WeakPolarHBondContact O-CG2 3.45Å; M36-V40 PolarHBondContact O-N 3.12Å; M36-E198 HydrophobicContact CE-CG 3.62Å; M36-M201 HydrophobicContact CB-CB 4.24Å; M36-M201 HydrophobicContact CB-CE 4.05Å; M36-M201 HydrophobicContact CB-SD 4.12Å; M36-M201 HydrophobicContact SD-CB 4.44Å; M36-F202 HydrophobicContact SD-CB 4.45Å; M36-L205 HydrophobicContact CB-CD1 4.07Å; M36-L205 HydrophobicContact CG-CD1 3.85Å
37E96.3Very high94.1Very high68 Ų6870.8 Ų70.832%0.31837%0.366SS..Hα-helixtrans-56.3-46.4177.2179.3174.7-155.600111.3F33 L34 T39 A41 L158 M201F33-E37 WeakPolarHBondContact O-CB 3.33Å; F33-E37 PolarHBondContact O-N 2.85Å; L34-E37 PolarHBondContact O-N 3.24Å; E37-T39 PolarHBondContact O-N 3.01Å; E37-A41 WeakPolarHBondContact O-CB 3.47Å; E37-A41 PolarHBondContact O-N 3.4Å; E37-L158 HydrophobicContact CG-CD1 4.15Å; E37-L158 HydrophobicContact CG-CD2 4.22Å; E37-M201 HydrophobicContact CB-SD 4.23Å
38K96.6Very high94.5Very high155 Ų15571 Ų7167%0.67437%0.372SS*.Hα-helixtrans-61.8-43.5176.4-175.1178.3179-178.40111.9L34 K35 M36 A41 V42L34-K38 WeakPolarHBondContact O-CB 3.34Å; L34-K38 PolarHBondContact O-N 3.09Å; K35-K38 PolarHBondContact O-N 3.28Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.3Å; K38-A41 PolarHBondContact O-N 2.57Å; K38-V42 WeakPolarHBondContact O-CG2 3.32Å; K38-V42 PolarHBondContact O-N 3.3Å
39T95.2Very high95Very high66 Ų6667.5 Ų67.541%0.40536%0.358SS..Hα-helixtrans-66.3-45.2-178.4-54.80000111.2K35 M36 E37 A41 V42 M43 L205K35-T39 WeakPolarHBondContact O-CB 3.43Å; K35-T39 PolarHBondContact O-N 3.23Å; K35-T39 PolarHBondContact O-OG1 2.86Å; M36-T39 PolarHBondContact O-N 3.21Å; M36-T39 VanDerWaalsContact O-N 3.11Å; E37-T39 PolarHBondContact O-N 3.01Å; T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.12Å; T39-V42 PolarHBondContact O-N 3.27Å; T39-M43 PolarHBondContact O-N 3.06Å; T39-L205 HydrophobicContact CG2-CD1 4.45Å; T39-L205 HydrophobicContact CG2-CD2 3.69Å
40V95.6Very high95.3Very high8 Ų868.5 Ų68.55%0.04836%0.364CS..Hα-helixtrans-62.7-38.2175.5173.80000111.6M36 M43 N44 M151 I154 M201 L204 L205M36-V40 WeakPolarHBondContact O-CG2 3.45Å; M36-V40 PolarHBondContact O-N 3.12Å; V40-M43 PolarHBondContact O-N 3.24Å; V40-N44 PolarHBondContact O-N 2.82Å; V40-M151 HydrophobicContact CG1-CE 4.33Å; V40-M151 HydrophobicContact CG1-SD 4.1Å; V40-I154 HydrophobicContact CG1-CG2 4Å; V40-M201 HydrophobicContact CG2-CB 4.13Å; V40-M201 HydrophobicContact CG2-CG 3.95Å; V40-M201 HydrophobicContact CG2-SD 4.3Å; V40-L204 HydrophobicContact CB-CD2 4.48Å; V40-L204 HydrophobicContact CG1-CD2 4.06Å; V40-L204 HydrophobicContact CG2-CD2 3.7Å; V40-L205 HydrophobicContact CG2-CD1 4.16Å; V40-L205 HydrophobicContact CG2-CD2 4.16Å; V40-L205 HydrophobicContact CG2-CG 4.15Å
41A95.9Very high95.5Very high56 Ų5667.1 Ų67.146%0.46336%0.356SS..Hα-helixtrans-62.3-44.6176.100000112.2E37 K38 T39 N44 V45E37-A41 WeakPolarHBondContact O-CB 3.47Å; E37-A41 PolarHBondContact O-N 3.4Å; K38-A41 PolarHBondContact O-N 2.57Å; T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.12Å; A41-N44 PolarHBondContact O-N 3.41Å; A41-V45 PolarHBondContact O-N 3.14Å
42V96.1Very high95.6Very high90 Ų9062.4 Ų62.455%0.54534%0.339SS..Hα-helixtrans-61.3-46.2174.6171.70000110.4K38 T39 N44 V45 L46K38-V42 WeakPolarHBondContact O-CG2 3.32Å; K38-V42 PolarHBondContact O-N 3.3Å; T39-V42 PolarHBondContact O-N 3.27Å; V42-N44 PolarHBondContact O-N 3.45Å; V42-V45 PolarHBondContact O-N 2.91Å; V42-L46 WeakPolarHBondContact O-CB 3.31Å; V42-L46 PolarHBondContact O-N 2.87Å
43M93.9Very high95.8Very high20 Ų2063.8 Ų63.810%0.09934%0.336CS..Hα-helixtrans-61.2-42.8-179.7-172.3163.164.600112.2T39 V40 V45 L46 L47 M151 L204 L205 L211T39-M43 PolarHBondContact O-N 3.06Å; V40-M43 PolarHBondContact O-N 3.24Å; M43-V45 VanDerWaalsContact C-N 3.27Å; M43-V45 PolarHBondContact O-N 3.38Å; M43-L46 WeakPolarHBondContact O-CB 3.45Å; M43-L46 PolarHBondContact O-N 3.24Å; M43-L46 VanDerWaalsContact O-N 3.15Å; M43-L47 HydrophobicContact CG-CD1 4.31Å; M43-L47 HydrophobicContact CG-CG 4.22Å; M43-L47 VanDerWaalsContact O-CG 3.29Å; M43-L47 WeakPolarHBondContact O-CG 3.5Å; M43-L47 PolarHBondContact O-N 3.19Å; M43-M151 HydrophobicContact CE-CE 4.18Å; M43-M151 HydrophobicContact CE-SD 4.42Å; M43-L204 HydrophobicContact CE-CD1 3.69Å; M43-L204 HydrophobicContact CE-CD2 3.32Å; M43-L204 HydrophobicContact CE-CG 3.44Å; M43-L204 VanDerWaalsContact CE-CG 3.44Å; M43-L205 HydrophobicContact CE-CD2 4.22Å; M43-L211 HydrophobicContact SD-CD1 3.96Å; M43-L211 HydrophobicContact SD-CD2 3.63Å; M43-L211 HydrophobicContact SD-CG 4.48Å
44N94.2Very high95.9Very high55 Ų5564.2 Ų64.229%0.29434%0.339SS..Hα-helixtrans-60.9-35.7177.5178.275.3000112.8V40 A41 V42 M151V40-N44 PolarHBondContact O-N 2.82Å; A41-N44 PolarHBondContact O-N 3.41Å; V42-N44 PolarHBondContact O-N 3.45Å; N44-M151 HydrophobicContact CB-CG 4.42Å; N44-M151 HydrophobicContact CB-SD 3.98Å
45V96.4Very high95.9Very high103 Ų10362.2 Ų62.262%0.62433%0.33SS*.Hα-helixtrans-70.4-45.5173.9176.20000110.6A41 V42 M43 L47 G48 E49A41-V45 PolarHBondContact O-N 3.14Å; V42-V45 PolarHBondContact O-N 2.91Å; M43-V45 VanDerWaalsContact C-N 3.27Å; M43-V45 PolarHBondContact O-N 3.38Å; V45-L47 PolarHBondContact O-N 2.88Å; V45-G48 PolarHBondContact O-N 3.03Å; V45-E49 PolarHBondContact O-N 3.18Å; V45-E49 VanDerWaalsContact O-N 3.08Å
46L95.3Very high95.9Very high89 Ų8958.2 Ų58.247%0.46631%0.313SS..Hα-helixtrans-58.1-45.5179.5176.265.5000112.3V42 M43 G48 E49 L50V42-L46 WeakPolarHBondContact O-CB 3.31Å; V42-L46 PolarHBondContact O-N 2.87Å; M43-L46 WeakPolarHBondContact O-CB 3.45Å; M43-L46 PolarHBondContact O-N 3.24Å; M43-L46 VanDerWaalsContact O-N 3.15Å; L46-G48 VanDerWaalsContact C-N 3.32Å; L46-G48 PolarHBondContact O-N 3.02Å; L46-E49 PolarHBondContact O-N 3.42Å; L46-L50 HydrophobicContact CD1-CD1 3.99Å; L46-L50 HydrophobicContact CD1-CD2 4.47Å; L46-L50 HydrophobicContact CD1-CG 3.89Å; L46-L50 HydrophobicContact CD2-CD1 4.43Å; L46-L50 HydrophobicContact CG-CD1 3.86Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.18Å; L46-L50 PolarHBondContact O-N 3.18Å
47L94.3Very high95.9Very high6 Ų662 Ų623%0.03133%0.333CS..Hα-helixtrans-57.5-45.7179.4-70.5178.6000111.7M43 V45 M51 L143 L146 M151M43-L47 HydrophobicContact CG-CD1 4.31Å; M43-L47 HydrophobicContact CG-CG 4.22Å; M43-L47 VanDerWaalsContact O-CG 3.29Å; M43-L47 WeakPolarHBondContact O-CG 3.5Å; M43-L47 PolarHBondContact O-N 3.19Å; V45-L47 PolarHBondContact O-N 2.88Å; L47-M51 WeakPolarHBondContact O-CE 3.49Å; L47-M51 WeakPolarHBondContact O-CG 3.45Å; L47-M51 PolarHBondContact O-N 2.87Å; L47-M51 VanDerWaalsContact O-N 3.14Å; L47-L143 HydrophobicContact CD2-CB 4.46Å; L47-L143 HydrophobicContact CD2-CD1 4.36Å; L47-L143 HydrophobicContact CD2-CD2 3.81Å; L47-L143 HydrophobicContact CD2-CG 4.41Å; L47-L146 HydrophobicContact CD1-CD2 3.79Å; L47-L146 HydrophobicContact CD1-CG 4.15Å; L47-L146 HydrophobicContact CD2-CD2 4.33Å; L47-M151 HydrophobicContact CD1-CG 4.11Å; L47-M151 HydrophobicContact CD1-SD 4.48Å
48G94.8Very high95.9Very high27 Ų2759 Ų5928%0.27832%0.319SS..Hα-helixtrans-62-46176.700000112.5V45 L46 S52V45-G48 PolarHBondContact O-N 3.03Å; L46-G48 VanDerWaalsContact C-N 3.32Å; L46-G48 PolarHBondContact O-N 3.02Å; G48-S52 WeakPolarHBondContact O-CB 3.38Å; G48-S52 PolarHBondContact O-N 3.37Å; G48-S52 VanDerWaalsContact O-N 3.08Å
49E97.1Very high95.9Very high87 Ų8752 Ų5241%0.40729%0.289SS..Hα-helixtrans-64.8-44.7179.6-168.966.9-169.200111.5V45 L46 M51 S52 R53V45-E49 PolarHBondContact O-N 3.18Å; V45-E49 VanDerWaalsContact O-N 3.08Å; L46-E49 PolarHBondContact O-N 3.42Å; E49-M51 PolarHBondContact O-N 3.1Å; E49-S52 PolarHBondContact O-N 3.19Å; E49-R53 HydrophobicContact CG-CG 4.16Å; E49-R53 WeakPolarHBondContact O-CB 3.36Å; E49-R53 VanDerWaalsContact O-CG 3.28Å; E49-R53 WeakPolarHBondContact O-CG 3.36Å; E49-R53 PolarHBondContact O-N 3.46Å; E49-R53 IonicContact OE1-CZ 2.67Å; E49-R53 VanDerWaalsContact OE1-CZ 3.25Å; E49-R53 IonicContact OE1-NE 3.86Å; E49-R53 PolarHBondContact OE1-NE 3.42Å; E49-R53 IonicContact OE1-NH2 2.58Å; E49-R53 PolarHBondContact OE1-NH2 3.4Å
50L96.5Very high95.9Very high54 Ų5453.9 Ų53.928%0.28330%0.302SS..Hα-helixtrans-59.7-46.6178.8-78.5176.6000112.2L46 S52 T54 F139L46-L50 HydrophobicContact CD1-CD1 3.99Å; L46-L50 HydrophobicContact CD1-CD2 4.47Å; L46-L50 HydrophobicContact CD1-CG 3.89Å; L46-L50 HydrophobicContact CD2-CD1 4.43Å; L46-L50 HydrophobicContact CG-CD1 3.86Å; L46-L50 HydrophobicContact CG-CG 4.19Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.18Å; L46-L50 PolarHBondContact O-N 3.18Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 2.94Å; L50-T54 VanDerWaalsContact O-CB 3.23Å; L50-T54 WeakPolarHBondContact O-CB 3.03Å; L50-T54 PolarHBondContact O-N 3.24Å; L50-T54 PolarHBondContact O-OG1 2.9Å; L50-F139 HydrophobicContact CB-CZ 4.28Å
51M95.6Very high95.8Very high22 Ų2256.6 Ų56.611%0.10832%0.316CS..Hα-helixtrans-62.4-42.9176.9-71-174.5-7100111.5L47 E49 T55 I140 L143 Q144L47-M51 WeakPolarHBondContact O-CE 3.49Å; L47-M51 WeakPolarHBondContact O-CG 3.45Å; L47-M51 PolarHBondContact O-N 2.87Å; L47-M51 VanDerWaalsContact O-N 3.14Å; E49-M51 PolarHBondContact O-N 3.1Å; M51-T55 WeakPolarHBondContact O-CB 3.39Å; M51-T55 PolarHBondContact O-N 3.17Å; M51-T55 PolarHBondContact O-OG1 3.39Å; M51-I140 HydrophobicContact CG-CG2 4.46Å; M51-I140 HydrophobicContact SD-CG2 4.47Å; M51-L143 HydrophobicContact CG-CB 3.94Å; M51-L143 HydrophobicContact CG-CD1 4.29Å; M51-L143 HydrophobicContact SD-CB 3.85Å; M51-Q144 HydrophobicContact SD-CB 3.83Å; M51-Q144 PolarHBondContact SD-N 2.88Å; M51-Q144 VanDerWaalsContact SD-N 3.41Å
52S95.9Very high95.7Very high50 Ų5057.9 Ų57.935%0.3532%0.32SS..Hα-helixtrans-62.4-53.4178.8-170.70000111.7G48 E49 L50 T54 T55 E56G48-S52 WeakPolarHBondContact O-CB 3.38Å; G48-S52 PolarHBondContact O-N 3.37Å; G48-S52 VanDerWaalsContact O-N 3.08Å; E49-S52 PolarHBondContact O-N 3.19Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 2.94Å; S52-T54 VanDerWaalsContact C-N 3.32Å; S52-T54 PolarHBondContact O-N 2.86Å; S52-T55 WeakPolarHBondContact O-CB 3.28Å; S52-T55 PolarHBondContact O-N 3.19Å; S52-T55 VanDerWaalsContact O-N 3.13Å; S52-E56 PolarHBondContact O-N 3.32Å
53R97.8Very high95.4Very high139 Ų13956.4 Ų56.453%0.52532%0.317SS..Hα-helixtrans-63.2-36.3-179.7-65.8-60.9178.4-169.61.3112.9E49 E56 L57E49-R53 HydrophobicContact CG-CG 4.16Å; E49-R53 WeakPolarHBondContact O-CB 3.36Å; E49-R53 VanDerWaalsContact O-CG 3.28Å; E49-R53 WeakPolarHBondContact O-CG 3.36Å; E49-R53 PolarHBondContact O-N 3.46Å; E49-R53 IonicContact OE1-CZ 2.67Å; E49-R53 VanDerWaalsContact OE1-CZ 3.25Å; E49-R53 IonicContact OE1-NE 3.86Å; E49-R53 PolarHBondContact OE1-NE 3.42Å; E49-R53 IonicContact OE1-NH2 2.58Å; E49-R53 PolarHBondContact OE1-NH2 3.4Å; R53-E56 IonicContact CZ-OE2 2.71Å; R53-E56 IonicContact NH1-OE2 3.93Å; R53-E56 PolarHBondContact NH1-OE2 3.4Å; R53-E56 PolarHBondContact O-N 3.46Å; R53-L57 WeakPolarHBondContact O-CB 3.2Å; R53-L57 PolarHBondContact O-N 3.16Å
54T97.7Very high95.4Very high10 Ų1057.9 Ų57.96%0.06132%0.322CS..Hα-helixtrans-69.3-37.3175.9-55.70000111.2L50 S52 E56 L57 L58 I135 F139 L218L50-T54 VanDerWaalsContact O-CB 3.23Å; L50-T54 WeakPolarHBondContact O-CB 3.03Å; L50-T54 PolarHBondContact O-N 3.24Å; L50-T54 PolarHBondContact O-OG1 2.9Å; S52-T54 VanDerWaalsContact C-N 3.32Å; S52-T54 PolarHBondContact O-N 2.86Å; T54-E56 VanDerWaalsContact C-N 3.33Å; T54-E56 PolarHBondContact O-N 3.34Å; T54-L57 WeakPolarHBondContact O-CB 3.41Å; T54-L57 PolarHBondContact O-N 3.43Å; T54-L58 VanDerWaalsContact O-CG 3.31Å; T54-L58 WeakPolarHBondContact O-CG 3.32Å; T54-L58 PolarHBondContact O-N 3.36Å; T54-I135 HydrophobicContact CG2-CG2 3.65Å; T54-F139 HydrophobicContact CG2-CD1 3.85Å; T54-F139 HydrophobicContact CG2-CE1 3.91Å; T54-F139 VanDerWaalsContact OG1-CE1 3.25Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.28Å; T54-L218 HydrophobicContact CG2-CD1 4Å
55T96.1Very high95.4Very high26 Ų2658.6 Ų58.616%0.1632%0.321CS..Hα-helixtrans-65.8-38174.8-53.60000111.3M51 S52 L58 Q59 R65 L68M51-T55 WeakPolarHBondContact O-CB 3.39Å; M51-T55 PolarHBondContact O-N 3.17Å; M51-T55 PolarHBondContact O-OG1 3.39Å; S52-T55 WeakPolarHBondContact O-CB 3.28Å; S52-T55 PolarHBondContact O-N 3.19Å; S52-T55 VanDerWaalsContact O-N 3.13Å; T55-L58 PolarHBondContact O-N 3.18Å; T55-Q59 PolarHBondContact O-N 2.84Å; T55-R65 HydrophobicContact CG2-CB 4.03Å; T55-R65 HydrophobicContact CG2-CG 3.98Å; T55-L68 HydrophobicContact CG2-CD2 4.2Å
56E96.6Very high95Very high61 Ų6156.4 Ų56.429%0.28531%0.314SS..Hα-helixtrans-64-42.2172.2-73.8173.9179.600112.9S52 R53 T54 L58 Q59 R65S52-E56 PolarHBondContact O-N 3.32Å; R53-E56 IonicContact CZ-OE2 2.71Å; R53-E56 IonicContact NH1-OE2 3.93Å; R53-E56 PolarHBondContact NH1-OE2 3.4Å; R53-E56 PolarHBondContact O-N 3.46Å; T54-E56 VanDerWaalsContact C-N 3.33Å; T54-E56 PolarHBondContact O-N 3.34Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.46Å; E56-Q59 CarbonylContact O-C 3.56Å; E56-Q59 VanDerWaalsContact O-C 3.32Å; E56-Q59 PolarHBondContact O-N 3.19Å; E56-R65 IonicContact OE1-NH1 3.99Å; E56-R65 PolarHBondContact OE1-NH1 3.48Å
57L96.7Very high94.7Very high110 Ų11056.9 Ų56.958%0.57631%0.312SS*.Hα-helixtrans-59.9-44.7174.9175.368.6000111.5R53 T54R53-L57 WeakPolarHBondContact O-CB 3.2Å; R53-L57 PolarHBondContact O-N 3.16Å; T54-L57 WeakPolarHBondContact O-CB 3.41Å; T54-L57 PolarHBondContact O-N 3.43Å
58L96.1Very high94.5Very high4 Ų456.7 Ų56.72%0.02131%0.311CS..Hα-helixtrans-69.8-44.1-179.5-68.9176.3000111.9T54 T55 E56 L68 K128 L131 I135 I140T54-L58 VanDerWaalsContact O-CG 3.31Å; T54-L58 WeakPolarHBondContact O-CG 3.32Å; T54-L58 PolarHBondContact O-N 3.36Å; T55-L58 PolarHBondContact O-N 3.18Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.46Å; L58-L68 HydrophobicContact CB-CD2 3.98Å; L58-L68 HydrophobicContact CD1-CD2 3.87Å; L58-K128 PolarHBondContact O-NZ 3.18Å; L58-L131 HydrophobicContact CD2-CD2 4.15Å; L58-L131 HydrophobicContact CD2-CG 4.11Å; L58-I135 HydrophobicContact CD1-CB 4Å; L58-I135 HydrophobicContact CD1-CG2 3.73Å; L58-I135 HydrophobicContact CD2-CB 4.49Å; L58-I135 HydrophobicContact CD2-CD1 3.76Å; L58-I140 HydrophobicContact CD1-CD1 4.31Å
59Q95.9Very high94.1Very high10 Ų1059.1 Ų59.15%0.04732%0.323CS..  trans-136.994.9-173.9-70.6-58.2-35.600109.9T55 E56 N61 R65 L68 Y86 Q88 D132T55-Q59 PolarHBondContact O-N 2.84Å; E56-Q59 CarbonylContact O-C 3.56Å; E56-Q59 VanDerWaalsContact O-C 3.32Å; E56-Q59 PolarHBondContact O-N 3.19Å; Q59-N61 PolarHBondContact O-N 3.03Å; Q59-R65 HydrophobicContact CB-CG 3.8Å; Q59-R65 WeakPolarHBondContact O-CD 3.25Å; Q59-R65 WeakPolarHBondContact O-CG 3.38Å; Q59-L68 HydrophobicContact CG-CD2 4.04Å; Q59-Y86 VanDerWaalsContact CD-CE2 3.46Å; Q59-Y86 HydrophobicContact CG-CE2 4.04Å; Q59-Y86 WeakPolarHBondContact CG-OH 3.35Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.31Å; Q59-Q88 VanDerWaalsContact NE2-OE1 3.1Å; Q59-D132 PolarHBondContact NE2-OD2 2.89Å
60P95.4Very high93.4Very high104 Ų10462.5 Ų62.568%0.67534%0.341SS*.  trans-62.2-32.2174.6-25.735.6000112.4P62P60-P62 WeakPolarHBondContact O-CD 3.28Å
61N93.8Very high92.5Very high65 Ų6562 Ų6235%0.34834%0.338SS..SBendtrans-69.5118.4178.2-174.8-31.1000111.2Q59 A63 Y64 R65Q59-N61 PolarHBondContact O-N 3.03Å; N61-A63 VanDerWaalsContact C-N 3.29Å; N61-A63 PolarHBondContact O-N 3.33Å; N61-A63 WeakPolarHBondContact OD1-CB 3.23Å; N61-A63 PolarHBondContact OD1-N 2.87Å; N61-Y64 HydrophobicContact CB-CD2 3.77Å; N61-Y64 HydrophobicContact CB-CE2 4.29Å; N61-Y64 HydrophobicContact CB-CG 4.08Å; N61-Y64 PolarHBondContact O-N 2.92Å; N61-Y64 VanDerWaalsContact O-N 3.09Å; N61-R65 PolarHBondContact O-N 3.29Å
62P93.9Very high90.9Very high84 Ų8464.8 Ų64.855%0.54536%0.36SS..Hα-helixtrans-56.9-36.1-179.7-23.833.4000114.7P60 Y64 R65 A66P60-P62 WeakPolarHBondContact O-CD 3.28Å; P62-Y64 VanDerWaalsContact C-N 3.3Å; P62-Y64 PolarHBondContact O-N 3.48Å; P62-R65 PolarHBondContact O-N 3.47Å; P62-A66 PolarHBondContact O-N 3.15Å; P62-A66 VanDerWaalsContact O-N 3.16Å
63A90.1Very high89Confident58 Ų5865.7 Ų65.748%0.47936%0.363SS..Hα-helixtrans-66.2-35.6179.400000111.7N61 K67N61-A63 VanDerWaalsContact C-N 3.29Å; N61-A63 PolarHBondContact O-N 3.33Å; N61-A63 WeakPolarHBondContact OD1-CB 3.23Å; N61-A63 PolarHBondContact OD1-N 2.87Å; A63-K67 PolarHBondContact O-N 3.4Å
64Y93.1Very high86.4Confident51 Ų5165 Ų6520%0.238%0.375CS..Hα-helixtrans-79.7-31.3179-58-14.5000111.5N61 P62 A66 K67 L68 Y86 P87N61-Y64 HydrophobicContact CB-CD2 3.77Å; N61-Y64 HydrophobicContact CB-CE2 4.29Å; N61-Y64 HydrophobicContact CB-CG 4.08Å; N61-Y64 PolarHBondContact O-N 2.92Å; N61-Y64 VanDerWaalsContact O-N 3.09Å; P62-Y64 VanDerWaalsContact C-N 3.3Å; P62-Y64 PolarHBondContact O-N 3.48Å; Y64-A66 VanDerWaalsContact C-N 3.34Å; Y64-A66 PolarHBondContact O-N 3.47Å; Y64-K67 PolarHBondContact O-N 3.44Å; Y64-L68 WeakPolarHBondContact O-CB 3.45Å; Y64-L68 PolarHBondContact O-N 2.88Å; Y64-Y86 HydrophobicContact CD1-CG 4.07Å; Y64-Y86 HydrophobicContact CD2-CD2 4.11Å; Y64-Y86 HydrophobicContact CD2-CG 4.44Å; Y64-Y86 AromaticContact CG-CD2 3.96Å; Y64-Y86 HydrophobicContact CG-CD2 3.96Å; Y64-Y86 AromaticContact CG-CG 3.89Å; Y64-Y86 HydrophobicContact CG-CG 3.89Å; Y64-Y86 WeakPolarHBondContact O-CE1 3.38Å; Y64-P87 HydrophobicContact CE2-CG 4.47Å; Y64-P87 WeakPolarHBondContact OH-CG 3.39Å
65R93.6Very high83.9Confident71 Ų7169.7 Ų69.727%0.26841%0.408SS..Hα-helixtrans-57-46.3169-68.1-165.3-76.9162-6.1112.4T55 E56 Q59 N61 P62 K67 L68 S69T55-R65 HydrophobicContact CG2-CB 4.03Å; T55-R65 HydrophobicContact CG2-CG 3.98Å; E56-R65 IonicContact OE1-NH1 3.99Å; E56-R65 PolarHBondContact OE1-NH1 3.48Å; Q59-R65 HydrophobicContact CB-CG 3.8Å; Q59-R65 WeakPolarHBondContact O-CD 3.25Å; Q59-R65 WeakPolarHBondContact O-CG 3.38Å; N61-R65 PolarHBondContact O-N 3.29Å; P62-R65 PolarHBondContact O-N 3.47Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 3.44Å; R65-L68 WeakPolarHBondContact O-CB 3.43Å; R65-L68 PolarHBondContact O-N 3.45Å; R65-S69 PolarHBondContact O-N 2.99Å
66A89.4Confident81.9Confident57 Ų5774.6 Ų74.647%0.47142%0.423SS..Hα-helixtrans-58.1-45.9177.900000110.8P62 Y64 S69 M70P62-A66 PolarHBondContact O-N 3.15Å; P62-A66 VanDerWaalsContact O-N 3.16Å; Y64-A66 VanDerWaalsContact C-N 3.34Å; Y64-A66 PolarHBondContact O-N 3.47Å; A66-S69 PolarHBondContact O-N 3.44Å; A66-M70 WeakPolarHBondContact O-CG 3.45Å; A66-M70 PolarHBondContact O-N 3.37Å
67K89.3Confident79.4Confident99 Ų9979.7 Ų79.743%0.4345%0.451SS..Hα-helixtrans-63.6-42.7175.9-70.8-179.1167.5-166.90112.7A63 Y64 R65 S69 M70 L71 G85 Y86A63-K67 PolarHBondContact O-N 3.4Å; Y64-K67 PolarHBondContact O-N 3.44Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 3.44Å; K67-S69 VanDerWaalsContact C-N 3.31Å; K67-S69 PolarHBondContact O-N 3.45Å; K67-M70 CarbonylContact O-C 3.58Å; K67-M70 WeakPolarHBondContact O-CA 3.4Å; K67-M70 PolarHBondContact O-N 3.23Å; K67-L71 WeakPolarHBondContact O-CD1 3.34Å; K67-L71 PolarHBondContact O-N 2.92Å; K67-G85 PolarHBondContact NZ-O 3Å; K67-Y86 HydrophobicContact CB-CD1 3.55Å; K67-Y86 HydrophobicContact CB-CE1 3.96Å; K67-Y86 HydrophobicContact CD-CD1 4Å; K67-Y86 HydrophobicContact CD-CG 4.48Å; K67-Y86 HydrophobicContact CG-CD1 4.44Å
68L88.9Confident76.9Confident1 Ų185.3 Ų85.31%0.00546%0.464CS..Hα-helixtrans-57.3-43.5176.4-178.956.5000111.7T55 L58 Q59 Y64 R65 M70 L71 V84 Y86 D132 K136T55-L68 HydrophobicContact CG2-CD2 4.2Å; L58-L68 HydrophobicContact CB-CD2 3.98Å; L58-L68 HydrophobicContact CD1-CD2 3.87Å; Q59-L68 HydrophobicContact CG-CD2 4.04Å; Y64-L68 WeakPolarHBondContact O-CB 3.45Å; Y64-L68 PolarHBondContact O-N 2.88Å; R65-L68 WeakPolarHBondContact O-CB 3.43Å; R65-L68 PolarHBondContact O-N 3.45Å; L68-M70 PolarHBondContact O-N 2.86Å; L68-L71 HydrophobicContact CD1-CD1 4.04Å; L68-L71 PolarHBondContact O-N 3.49Å; L68-V84 HydrophobicContact CD1-CG1 4.28Å; L68-Y86 HydrophobicContact CB-CE1 4.13Å; L68-D132 HydrophobicContact CD1-CB 4.12Å; L68-K136 HydrophobicContact CD1-CB 4.3Å; L68-K136 WeakPolarHBondContact O-CE 3.28Å
69S86.3Confident74.1Confident78 Ų7889.4 Ų89.455%0.54551%0.507SS..Hα-helixtrans-63.4-29.5175.7-174.50000112.8R65 A66 K67R65-S69 PolarHBondContact O-N 2.99Å; A66-S69 PolarHBondContact O-N 3.44Å; K67-S69 VanDerWaalsContact C-N 3.31Å; K67-S69 PolarHBondContact O-N 3.45Å
70M82.1Confident71.5Confident159 Ų15997.1 Ų97.178%0.78354%0.543SS*.THydrogen-bonded Turntrans-87-2.4-179.8-65.2-178.291.800113.7A66 K67 L68 S72A66-M70 WeakPolarHBondContact O-CG 3.45Å; A66-M70 PolarHBondContact O-N 3.37Å; K67-M70 CarbonylContact O-C 3.58Å; K67-M70 WeakPolarHBondContact O-CA 3.4Å; K67-M70 PolarHBondContact O-N 3.23Å; L68-M70 PolarHBondContact O-N 2.86Å; M70-S72 PolarHBondContact O-N 3.28Å; M70-S72 VanDerWaalsContact O-N 3.07Å
71L78.8Confident69.2Low43 Ų4398.5 Ų98.523%0.22555%0.549CS..  trans-62.7116.5173.9-92106000110.4K67 L68 V84 V133K67-L71 WeakPolarHBondContact O-CD1 3.34Å; K67-L71 PolarHBondContact O-N 2.92Å; L68-L71 HydrophobicContact CD1-CD1 4.04Å; L68-L71 PolarHBondContact O-N 3.49Å; L71-V84 HydrophobicContact CD1-CB 4.47Å; L71-V84 HydrophobicContact CD1-CG1 3.31Å; L71-V84 HydrophobicContact CD2-CG1 3.98Å; L71-V84 HydrophobicContact CG-CG1 4.27Å; L71-V133 HydrophobicContact CD2-CG2 4.07Å
72S62.2Low67.5Low80 Ų80103.2 Ų103.256%0.55956%0.562SS**  trans-79.6128.8174.263.20000110.2M70 V74M70-S72 PolarHBondContact O-N 3.28Å; M70-S72 VanDerWaalsContact O-N 3.07Å; S72-V74 PolarHBondContact O-N 3.09Å
73T55.3Low65.9Low69 Ų69104.7 Ų104.742%0.42357%0.57SS.*THydrogen-bonded Turntrans-67.4-6.6-179.9-40.10000112.6R137 D141T73-R137 HydrophobicContact CG2-CG 4.21Å; T73-D141 PolarHBondContact OG1-OD2 3.5Å
74V43.3Very low65Low126 Ų126102.2 Ų102.276%0.76455%0.549SS*.THydrogen-bonded Turntrans-101.6-11.2-163.6-159.30000114.8S72 R76S72-V74 PolarHBondContact O-N 3.09Å; V74-R76 PolarHBondContact O-N 2.84Å; V74-R76 VanDerWaalsContact O-N 3.07Å
75S45.8Very low64.5Low107 Ų107102 Ų10275%0.74856%0.562SS**  trans-89.375.1178.5-680000111.8
76R54Low64.3Low130 Ų13099.2 Ų99.249%0.49155%0.551SS.*  trans-137.127.7-173.4-111.7-175.1179.8155.32.6116.9V74V74-R76 PolarHBondContact O-N 2.84Å; V74-R76 VanDerWaalsContact O-N 3.07Å
77I43.9Very low64.4Low167 Ų16799 Ų9986%0.85655%0.545SS*.SBendtrans-109-6-177-67.8176.2000114.6
78R43.1Very low64.7Low229 Ų22994.7 Ų94.786%0.86453%0.527SS*.SBendtrans-121.518.4-167.8-119.5-177.4-176-166.81.2119.6Q80R78-Q80 PolarHBondContact O-N 3.41Å
79G39.1Very low65Low89 Ų8999.4 Ų99.492%0.91856%0.556SS**  trans64.311.7162.100000117.5
80Q39.3Very low65.5Low173 Ų17398 Ų9881%0.80854%0.541SS*.PPolyproline II helixtrans-93.9143.3177.4-82.7171.7-35.300112.5R78R78-Q80 PolarHBondContact O-N 3.41Å
81V47.2Very low66.2Low132 Ų13290.9 Ų90.980%0.851%0.508SS*.PPolyproline II helixtrans-53.7134.8-173.8174.50000111.8
82R60Low67Low165 Ų16593.7 Ų93.762%0.62352%0.521SS*.PPolyproline II helixtrans-62.4130.7-171.4-56.9166-176.9178.2-1110.8
83T60.3Low68.7Low115 Ų11594.1 Ų94.171%0.70652%0.516SS*.  trans-138.4134.3158.958.60000108.9G85T83-G85 PolarHBondContact O-N 3.35Å
84V71.1Confident70.8Confident5 Ų590.8 Ų90.83%0.0350%0.496CS..  trans-78.15.2-179.3-156.80000110.9L68 L71 Y86 D129 D132 V133L68-V84 HydrophobicContact CD1-CG1 4.28Å; L71-V84 HydrophobicContact CD1-CB 4.47Å; L71-V84 HydrophobicContact CD1-CG1 3.31Å; L71-V84 HydrophobicContact CD2-CG1 3.98Å; L71-V84 HydrophobicContact CG-CG1 4.27Å; V84-Y86 VanDerWaalsContact C-N 3.25Å; V84-Y86 HydrophobicContact CB-CD1 4.32Å; V84-Y86 HydrophobicContact CB-CE1 3.89Å; V84-Y86 HydrophobicContact CB-CE2 4.03Å; V84-Y86 HydrophobicContact CG1-CD1 4.24Å; V84-Y86 HydrophobicContact CG1-CE1 3.38Å; V84-Y86 HydrophobicContact CG1-CE2 4.05Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.46Å; V84-Y86 WeakPolarHBondContact O-CD1 3.44Å; V84-Y86 WeakPolarHBondContact O-CE1 3.44Å; V84-Y86 PolarHBondContact O-N 3.12Å; V84-D129 HydrophobicContact CG2-CB 3.6Å; V84-D129 WeakPolarHBondContact CG2-OD1 3.46Å; V84-D132 HydrophobicContact CG1-CB 4.33Å; V84-D132 HydrophobicContact CG2-CB 4.48Å; V84-V133 HydrophobicContact CG2-CG2 4.02Å
85G82.1Confident73.3Confident46 Ų4691 Ų9147%0.47449%0.487SS..SBendtrans78.17.4-179.200000114.1K67 T83K67-G85 PolarHBondContact NZ-O 3Å; T83-G85 PolarHBondContact O-N 3.35Å
86Y89.6Confident75.9Confident13 Ų1388.9 Ų88.95%0.05147%0.471CS..SBendtrans-145.9154.5174.451.9-100.1000110.4Q59 Y64 K67 L68 V84 D132Q59-Y86 VanDerWaalsContact CD-CE2 3.46Å; Q59-Y86 HydrophobicContact CG-CE2 4.04Å; Q59-Y86 WeakPolarHBondContact CG-OH 3.35Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.31Å; Y64-Y86 HydrophobicContact CD1-CG 4.07Å; Y64-Y86 HydrophobicContact CD2-CD2 4.11Å; Y64-Y86 HydrophobicContact CD2-CG 4.44Å; Y64-Y86 AromaticContact CG-CD2 3.96Å; Y64-Y86 HydrophobicContact CG-CD2 3.96Å; Y64-Y86 AromaticContact CG-CG 3.89Å; Y64-Y86 HydrophobicContact CG-CG 3.89Å; Y64-Y86 WeakPolarHBondContact O-CE1 3.38Å; K67-Y86 HydrophobicContact CB-CD1 3.55Å; K67-Y86 HydrophobicContact CB-CE1 3.96Å; K67-Y86 HydrophobicContact CD-CD1 4Å; K67-Y86 HydrophobicContact CD-CG 4.48Å; K67-Y86 HydrophobicContact CG-CD1 4.44Å; L68-Y86 HydrophobicContact CB-CE1 4.13Å; V84-Y86 VanDerWaalsContact C-N 3.25Å; V84-Y86 HydrophobicContact CB-CD1 4.32Å; V84-Y86 HydrophobicContact CB-CE1 3.89Å; V84-Y86 HydrophobicContact CB-CE2 4.03Å; V84-Y86 HydrophobicContact CG1-CD1 4.24Å; V84-Y86 HydrophobicContact CG1-CE1 3.38Å; V84-Y86 HydrophobicContact CG1-CE2 4.05Å; V84-Y86 WeakPolarHBondContact CG1-OH 3.46Å; V84-Y86 WeakPolarHBondContact O-CD1 3.44Å; V84-Y86 WeakPolarHBondContact O-CE1 3.44Å; V84-Y86 PolarHBondContact O-N 3.12Å; Y86-D132 PolarHBondContact OH-OD2 3.01Å
87P91.4Very high78Confident52 Ų5284.8 Ų84.834%0.33846%0.458SS..  trans-77.7144.2178.632.6-34.9000111.6Y64 M92Y64-P87 HydrophobicContact CE2-CG 4.47Å; Y64-P87 WeakPolarHBondContact OH-CG 3.39Å; P87-M92 HydrophobicContact CB-CG 3.82Å; P87-M92 HydrophobicContact CB-SD 4.02Å; P87-M92 HydrophobicContact CG-CG 4.34Å; P87-M92 HydrophobicContact CG-SD 3.9Å
88Q94.5Very high80.6Confident10 Ų1079.2 Ų79.25%0.04743%0.43CS..  trans-86.3148.7165-56.1-66.4-16.100109.7Q59 E90 G91 M92 K128 D129 D132Q59-Q88 VanDerWaalsContact NE2-OE1 3.1Å; Q88-E90 PolarHBondContact O-N 3.09Å; Q88-G91 CarbonylContact O-C 3.4Å; Q88-G91 WeakPolarHBondContact O-CA 3.39Å; Q88-G91 PolarHBondContact O-N 2.71Å; Q88-G91 VanDerWaalsContact O-N 3.08Å; Q88-M92 WeakPolarHBondContact O-CG 3.28Å; Q88-M92 PolarHBondContact O-N 3.44Å; Q88-K128 HydrophobicContact CG-CB 4.14Å; Q88-K128 HydrophobicContact CG-CG 4.09Å; Q88-K128 VanDerWaalsContact OE1-CG 3.27Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.38Å; Q88-D129 PolarHBondContact NE2-OD1 3.46Å; Q88-D132 PolarHBondContact NE2-OD2 3.02Å; Q88-D132 VanDerWaalsContact NE2-OD2 3.07Å
89T96Very high83.2Confident100 Ų10073.6 Ų73.661%0.61341%0.412SS*.Hα-helixtrans-62.9-40.5-175.547.30000112.2G91 M92 L93T89-G91 VanDerWaalsContact C-N 3.28Å; T89-G91 PolarHBondContact O-N 3.29Å; T89-M92 PolarHBondContact O-N 2.79Å; T89-M92 VanDerWaalsContact O-N 3.15Å; T89-L93 PolarHBondContact O-N 3.35Å
90E96.9Very high86Confident49 Ų4975.9 Ų75.923%0.22939%0.394CS..Hα-helixtrans-62.7-39.3174.7-53.887.6165.400110.7Q88 M92 L93 G94 L121 V124Q88-E90 PolarHBondContact O-N 3.09Å; E90-M92 VanDerWaalsContact C-N 3.35Å; E90-M92 PolarHBondContact O-N 2.96Å; E90-L93 PolarHBondContact O-N 3.5Å; E90-G94 PolarHBondContact O-N 3.36Å; E90-L121 HydrophobicContact CB-CD2 4.49Å; E90-V124 HydrophobicContact CB-CB 4.42Å; E90-V124 HydrophobicContact CB-CG1 4.3Å; E90-V124 HydrophobicContact CG-CG1 3.91Å
91G95.7Very high88.8Confident9 Ų967.7 Ų67.79%0.09336%0.356CS..Hα-helixtrans-65.4-34.6174.500000113.1Q88 T89 K95 Q122Q88-G91 CarbonylContact O-C 3.4Å; Q88-G91 WeakPolarHBondContact O-CA 3.39Å; Q88-G91 PolarHBondContact O-N 2.71Å; Q88-G91 VanDerWaalsContact O-N 3.08Å; T89-G91 VanDerWaalsContact C-N 3.28Å; T89-G91 PolarHBondContact O-N 3.29Å; G91-K95 VanDerWaalsContact O-CG 3.31Å; G91-K95 WeakPolarHBondContact O-CG 3.32Å; G91-K95 PolarHBondContact O-N 2.95Å; G91-Q122 PolarHBondContact O-NE2 3.47Å
92M96.6Very high91.2Very high101 Ų10167.9 Ų67.950%0.49835%0.348SS..Hα-helixtrans-68.7-47.7175.2-66.8176.267.500111.2P87 Q88 T89 E90 G94 K95 C96P87-M92 HydrophobicContact CB-CG 3.82Å; P87-M92 HydrophobicContact CB-SD 4.02Å; P87-M92 HydrophobicContact CG-CG 4.34Å; P87-M92 HydrophobicContact CG-SD 3.9Å; Q88-M92 WeakPolarHBondContact O-CG 3.28Å; Q88-M92 PolarHBondContact O-N 3.44Å; T89-M92 PolarHBondContact O-N 2.79Å; T89-M92 VanDerWaalsContact O-N 3.15Å; E90-M92 VanDerWaalsContact C-N 3.35Å; E90-M92 PolarHBondContact O-N 2.96Å; M92-G94 VanDerWaalsContact C-N 3.34Å; M92-G94 PolarHBondContact O-N 3.16Å; M92-K95 PolarHBondContact O-N 3.03Å; M92-C96 PolarHBondContact O-N 2.96Å
93L98.3Very high93Very high89 Ų8966.2 Ų66.247%0.46635%0.348SS..Hα-helixtrans-61.7-43.8177.9-177.857.6000111.4T89 E90 K95 C96 M97 L121T89-L93 PolarHBondContact O-N 3.35Å; E90-L93 PolarHBondContact O-N 3.5Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.36Å; L93-C96 WeakPolarHBondContact O-CB 3.49Å; L93-C96 PolarHBondContact O-N 3.4Å; L93-M97 HydrophobicContact CD1-CE 3.98Å; L93-M97 HydrophobicContact CD2-CE 4.26Å; L93-M97 HydrophobicContact CG-CE 4.02Å; L93-M97 HydrophobicContact CG-SD 4.37Å; L93-M97 WeakPolarHBondContact O-CG 3.38Å; L93-M97 PolarHBondContact O-N 3.28Å; L93-M97 VanDerWaalsContact O-N 3.08Å; L93-L121 HydrophobicContact CB-CD1 4.19Å; L93-L121 HydrophobicContact CD2-CD1 3.69Å; L93-L121 HydrophobicContact CG-CD1 3.75Å
94G98.1Very high94.8Very high0 Ų064.8 Ų64.80%034%0.335CS..Hα-helixtrans-63.4-36179.500000113.4E90 M92 M97 L98 G118E90-G94 PolarHBondContact O-N 3.36Å; M92-G94 VanDerWaalsContact C-N 3.34Å; M92-G94 PolarHBondContact O-N 3.16Å; G94-M97 PolarHBondContact O-N 3.06Å; G94-L98 WeakPolarHBondContact O-CB 3.44Å; G94-L98 VanDerWaalsContact O-CG 3.23Å; G94-L98 WeakPolarHBondContact O-CG 3.4Å; G94-L98 PolarHBondContact O-N 2.92Å; G94-G118 WeakPolarHBondContact CA-O 3.46Å; G94-G118 WeakPolarHBondContact O-CA 3.33Å
95K97.5Very high95.7Very high130 Ų13065.5 Ų65.557%0.56534%0.343SS*.Hα-helixtrans-64.5-42.1175.4-78173.3-175.5-1800111.9G91 M92 L93 L98 F99 Q122G91-K95 VanDerWaalsContact O-CG 3.31Å; G91-K95 WeakPolarHBondContact O-CG 3.32Å; G91-K95 PolarHBondContact O-N 2.95Å; M92-K95 PolarHBondContact O-N 3.03Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.36Å; K95-L98 PolarHBondContact O-N 3.43Å; K95-F99 WeakPolarHBondContact O-CB 3.34Å; K95-F99 PolarHBondContact O-N 3.02Å; K95-Q122 VanDerWaalsContact N-NE2 3.15Å
96C98.4Very high96.2Very high63 Ų6370.2 Ų70.243%0.42637%0.366SS..Hα-helixtrans-59.7-48.6176.3-177.90000111.2M92 L93 L98 F99 Y100M92-C96 PolarHBondContact O-N 2.96Å; L93-C96 WeakPolarHBondContact O-CB 3.49Å; L93-C96 PolarHBondContact O-N 3.4Å; C96-L98 PolarHBondContact O-N 3.43Å; C96-F99 PolarHBondContact O-N 2.95Å; C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 3.46Å; C96-Y100 VanDerWaalsContact O-N 3.07Å
97M98.6Very high96.2Very high43 Ų4372.9 Ų72.921%0.21239%0.39CS..Hα-helixtrans-64-40.2179-67.1179.3166.400112.7L93 G94 G101 L114 V117 L121L93-M97 HydrophobicContact CD1-CE 3.98Å; L93-M97 HydrophobicContact CD2-CE 4.26Å; L93-M97 HydrophobicContact CG-CE 4.02Å; L93-M97 HydrophobicContact CG-SD 4.37Å; L93-M97 WeakPolarHBondContact O-CG 3.38Å; L93-M97 PolarHBondContact O-N 3.28Å; L93-M97 VanDerWaalsContact O-N 3.08Å; G94-M97 PolarHBondContact O-N 3.06Å; M97-G101 WeakPolarHBondContact O-CA 3.43Å; M97-G101 PolarHBondContact O-N 3.19Å; M97-L114 HydrophobicContact CB-CB 4.47Å; M97-L114 HydrophobicContact CB-CD2 4.25Å; M97-L114 WeakPolarHBondContact CB-O 3.37Å; M97-L114 HydrophobicContact CG-CD2 4.04Å; M97-V117 HydrophobicContact CE-CG1 4.11Å; M97-V117 HydrophobicContact SD-CB 4Å; M97-V117 HydrophobicContact SD-CG1 3.46Å; M97-V117 WeakPolarHBondContact SD-CG1 3.25Å; M97-L121 HydrophobicContact CE-CD1 4.46Å; M97-L121 HydrophobicContact SD-CD1 3.92Å
98L98.4Very high96.3Very high51 Ų5171.9 Ų71.927%0.26739%0.385SS..Hα-helixtrans-62.7-46.2175.7-74.4166.7000111.7G94 K95 C96 Q102 M115 Q122G94-L98 WeakPolarHBondContact O-CB 3.44Å; G94-L98 VanDerWaalsContact O-CG 3.23Å; G94-L98 WeakPolarHBondContact O-CG 3.4Å; G94-L98 PolarHBondContact O-N 2.92Å; K95-L98 PolarHBondContact O-N 3.43Å; C96-L98 PolarHBondContact O-N 3.43Å; L98-Q102 WeakPolarHBondContact O-CB 3.48Å; L98-Q102 PolarHBondContact O-N 3.14Å; L98-M115 HydrophobicContact CD2-CB 4.36Å; L98-M115 WeakPolarHBondContact CD2-O 3.43Å; L98-Q122 HydrophobicContact CD1-CG 3.81Å
99F98.2Very high96.2Very high111 Ų11174.6 Ų74.649%0.48740%0.397SS..Hα-helixtrans-59.6-57.7179.9178.5-98.5000111.3K95 C96 G101 Q102 E103K95-F99 WeakPolarHBondContact O-CB 3.34Å; K95-F99 PolarHBondContact O-N 3.02Å; C96-F99 PolarHBondContact O-N 2.95Å; F99-G101 VanDerWaalsContact C-N 3.33Å; F99-G101 PolarHBondContact O-N 3.16Å; F99-Q102 WeakPolarHBondContact O-CB 3.46Å; F99-Q102 PolarHBondContact O-N 3.37Å; F99-E103 HydrophobicContact CE1-CG 4.14Å; F99-E103 HydrophobicContact CZ-CG 4.22Å; F99-E103 WeakPolarHBondContact O-CG 3.46Å; F99-E103 PolarHBondContact O-N 3.23Å; F99-E103 VanDerWaalsContact O-N 3.1Å
100Y98.4Very high96.2Very high136 Ų13676.3 Ų76.353%0.53340%0.396SS..Hα-helixtrans-71.8-27.5-178.6-70.3-66.4000113.3C96 Q102 E103 L104C96-Y100 WeakPolarHBondContact O-CD2 3.4Å; C96-Y100 PolarHBondContact O-N 3.46Å; C96-Y100 VanDerWaalsContact O-N 3.07Å; Y100-Q102 VanDerWaalsContact C-N 3.27Å; Y100-Q102 PolarHBondContact O-N 3.07Å; Y100-E103 PolarHBondContact O-N 3.42Å; Y100-L104 VanDerWaalsContact O-CG 3.27Å; Y100-L104 WeakPolarHBondContact O-CG 3.48Å; Y100-L104 PolarHBondContact O-N 3.22Å
101G98.1Very high96.2Very high2 Ų274 Ų742%0.02139%0.385CS..Hα-helixtrans-61.4-38172.100000112.1M97 F99M97-G101 WeakPolarHBondContact O-CA 3.43Å; M97-G101 PolarHBondContact O-N 3.19Å; F99-G101 VanDerWaalsContact C-N 3.33Å; F99-G101 PolarHBondContact O-N 3.16Å
102Q97.7Very high96.2Very high136 Ų13674.4 Ų74.464%0.63639%0.39SS*.Hα-helixtrans-70.4-44.2173.9-175.4174.12.700112.2L98 F99 Y100 L104 G105L98-Q102 WeakPolarHBondContact O-CB 3.48Å; L98-Q102 PolarHBondContact O-N 3.14Å; F99-Q102 WeakPolarHBondContact O-CB 3.46Å; F99-Q102 PolarHBondContact O-N 3.37Å; Y100-Q102 VanDerWaalsContact C-N 3.27Å; Y100-Q102 PolarHBondContact O-N 3.07Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 3.12Å; Q102-G105 WeakPolarHBondContact O-CA 3.43Å; Q102-G105 PolarHBondContact O-N 3Å
103E97.6Very high96.3Very high130 Ų13070.5 Ų70.561%0.60737%0.374SS*.Hα-helixtrans-62.3-33178.8-69.3-5912700113.1F99 Y100 G105F99-E103 HydrophobicContact CE1-CG 4.14Å; F99-E103 HydrophobicContact CZ-CG 4.22Å; F99-E103 WeakPolarHBondContact O-CG 3.46Å; F99-E103 PolarHBondContact O-N 3.23Å; F99-E103 VanDerWaalsContact O-N 3.1Å; Y100-E103 PolarHBondContact O-N 3.42Å; E103-G105 PolarHBondContact O-N 3.12Å
104L96.9Very high96.3Very high85 Ų8567.6 Ų67.645%0.44536%0.358SS..THydrogen-bonded Turntrans-66.6-13.5173.9-73.6168.8000113.5Y100 Q102 S108 F110 L114Y100-L104 VanDerWaalsContact O-CG 3.27Å; Y100-L104 WeakPolarHBondContact O-CG 3.48Å; Y100-L104 PolarHBondContact O-N 3.22Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 3.12Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-F110 HydrophobicContact CD1-CD1 3.74Å; L104-F110 HydrophobicContact CD1-CE1 4.16Å; L104-L114 HydrophobicContact CD1-CD1 3.74Å
105G91Very high96.3Very high20 Ų2071.4 Ų71.421%0.20638%0.377CS..  trans80.3159.5175.900000114.3Q102 E103 A107 S108Q102-G105 WeakPolarHBondContact O-CA 3.43Å; Q102-G105 PolarHBondContact O-N 3Å; E103-G105 PolarHBondContact O-N 3.12Å; G105-A107 PolarHBondContact O-N 2.74Å; G105-A107 VanDerWaalsContact O-N 3.09Å; G105-S108 WeakPolarHBondContact O-CB 3.37Å; G105-S108 PolarHBondContact O-N 3.27Å; G105-S108 VanDerWaalsContact O-N 3.11Å
106P91.4Very high96.3Very high145 Ų14567.8 Ų67.894%0.94236%0.364SS*.THydrogen-bonded Turntrans-67.9-14.3-17328.3-36.3000113.9S108P106-S108 VanDerWaalsContact C-N 3.34Å
107A90.2Very high96.3Very high68 Ų6866.3 Ų66.356%0.56235%0.353SS*.THydrogen-bonded Turntrans-82.8-11.1178.100000113.4G105G105-A107 PolarHBondContact O-N 2.74Å; G105-A107 VanDerWaalsContact O-N 3.09Å
108S93.6Very high96.3Very high32 Ų3264.2 Ų64.222%0.22434%0.343CS..  trans-88.6115.3-179.8-177.90000110.7L104 G105 P106 F110 G111 G112L104-S108 WeakPolarHBondContact O-CB 3.39Å; G105-S108 WeakPolarHBondContact O-CB 3.37Å; G105-S108 PolarHBondContact O-N 3.27Å; G105-S108 VanDerWaalsContact O-N 3.11Å; P106-S108 VanDerWaalsContact C-N 3.34Å; S108-F110 PolarHBondContact O-N 2.93Å; S108-G111 PolarHBondContact O-N 3.11Å; S108-G111 VanDerWaalsContact O-N 3.13Å; S108-G111 PolarHBondContact OG-N 2.97Å; S108-G112 PolarHBondContact O-N 3.49Å
109E93.2Very high96.3Very high67 Ų6762.9 Ų62.931%0.31334%0.341SS..Hα-helixtrans-61.6-35.5173.6-67.2-55.3145.700112.1G112 A113 R243 K250E109-G112 PolarHBondContact O-N 2.87Å; E109-A113 WeakPolarHBondContact O-CB 3.11Å; E109-A113 PolarHBondContact O-N 2.96Å; E109-R243 IonicContact OE2-NH1 2.69Å; E109-R243 PolarHBondContact OE2-NH1 3.41Å; E109-K250 IonicContact OE1-NZ 2.92Å; E109-K250 PolarHBondContact OE1-NZ 3.33Å
110F95.7Very high96.3Very high135 Ų13558 Ų5859%0.59232%0.321SS*.Hα-helixtrans-68-39.7174.6-178.8-120.5000111.4L104 S108 A113 L114L104-F110 HydrophobicContact CD1-CD1 3.74Å; L104-F110 HydrophobicContact CD1-CE1 4.16Å; S108-F110 PolarHBondContact O-N 2.93Å; F110-A113 PolarHBondContact O-N 2.98Å; F110-L114 HydrophobicContact CD1-CD1 3.99Å; F110-L114 HydrophobicContact CE1-CD1 3.59Å; F110-L114 HydrophobicContact CE1-CG 4.2Å; F110-L114 HydrophobicContact CE2-CD1 4.43Å; F110-L114 HydrophobicContact CE2-CD2 4.35Å; F110-L114 HydrophobicContact CE2-CG 4.15Å; F110-L114 HydrophobicContact CZ-CD1 3.83Å; F110-L114 HydrophobicContact CZ-CD2 4.1Å; F110-L114 HydrophobicContact CZ-CG 3.98Å; F110-L114 WeakPolarHBondContact O-CG 3.36Å; F110-L114 PolarHBondContact O-N 3.32Å
111G96.9Very high96.3Very high0 Ų052.7 Ų52.70%030%0.302CS..Hα-helixtrans-59.5-47.2173.100000112S108 A113 L114 M115S108-G111 PolarHBondContact O-N 3.11Å; S108-G111 VanDerWaalsContact O-N 3.13Å; S108-G111 PolarHBondContact OG-N 2.97Å; G111-A113 PolarHBondContact O-N 2.92Å; G111-L114 WeakPolarHBondContact O-CB 3.34Å; G111-L114 PolarHBondContact O-N 3.36Å; G111-M115 WeakPolarHBondContact O-CG 3.35Å; G111-M115 PolarHBondContact O-N 3.27Å
112G96.4Very high96.3Very high18 Ų1854.6 Ų54.619%0.18631%0.31CS..Hα-helixtrans-59.1-44.5173.500000113.2S108 E109 L114 M115 D116S108-G112 PolarHBondContact O-N 3.49Å; E109-G112 PolarHBondContact O-N 2.87Å; G112-L114 PolarHBondContact O-N 3.35Å; G112-M115 PolarHBondContact O-N 3.46Å; G112-D116 VanDerWaalsContact O-CG 3.31Å; G112-D116 PolarHBondContact O-N 3.44Å
113A97.8Very high96.3Very high19 Ų1954 Ų5416%0.15731%0.306CS..Hα-helixtrans-62.1-42.2175.900000112.4E109 F110 G111 M115 D116 V117 L240E109-A113 WeakPolarHBondContact O-CB 3.11Å; E109-A113 PolarHBondContact O-N 2.96Å; F110-A113 PolarHBondContact O-N 2.98Å; G111-A113 PolarHBondContact O-N 2.92Å; A113-M115 VanDerWaalsContact C-N 3.3Å; A113-M115 PolarHBondContact O-N 3.42Å; A113-D116 PolarHBondContact O-N 3.2Å; A113-V117 VanDerWaalsContact O-CG2 3.28Å; A113-V117 WeakPolarHBondContact O-CG2 3.47Å; A113-V117 PolarHBondContact O-N 3.35Å; A113-L240 HydrophobicContact CB-CD2 4.12Å
114L98.3Very high96.4Very high28 Ų2848.4 Ų48.415%0.14728%0.28CS..Hα-helixtrans-60.7-40.1174.8-77.4172.7000111.6M97 L104 F110 G111 G112 G118M97-L114 HydrophobicContact CB-CB 4.47Å; M97-L114 HydrophobicContact CB-CD2 4.25Å; M97-L114 WeakPolarHBondContact CB-O 3.37Å; M97-L114 HydrophobicContact CG-CD2 4.04Å; L104-L114 HydrophobicContact CD1-CD1 3.74Å; F110-L114 HydrophobicContact CD1-CD1 3.99Å; F110-L114 HydrophobicContact CE1-CD1 3.59Å; F110-L114 HydrophobicContact CE1-CG 4.2Å; F110-L114 HydrophobicContact CE2-CD1 4.43Å; F110-L114 HydrophobicContact CE2-CD2 4.35Å; F110-L114 HydrophobicContact CE2-CG 4.15Å; F110-L114 HydrophobicContact CZ-CD1 3.83Å; F110-L114 HydrophobicContact CZ-CD2 4.1Å; F110-L114 HydrophobicContact CZ-CG 3.98Å; F110-L114 WeakPolarHBondContact O-CG 3.36Å; F110-L114 PolarHBondContact O-N 3.32Å; G111-L114 WeakPolarHBondContact O-CB 3.34Å; G111-L114 PolarHBondContact O-N 3.36Å; G112-L114 PolarHBondContact O-N 3.35Å; L114-G118 PolarHBondContact O-N 3.09Å
115M98.1Very high96.3Very high80 Ų8044.5 Ų44.539%0.39426%0.26SS..Hα-helixtrans-65-42.4176.8-69.4-171.769.600112.3L98 G111 G112 A113 G118 G119L98-M115 HydrophobicContact CD2-CB 4.36Å; L98-M115 WeakPolarHBondContact CD2-O 3.43Å; G111-M115 WeakPolarHBondContact O-CG 3.35Å; G111-M115 PolarHBondContact O-N 3.27Å; G112-M115 PolarHBondContact O-N 3.46Å; A113-M115 VanDerWaalsContact C-N 3.3Å; A113-M115 PolarHBondContact O-N 3.42Å; M115-G118 PolarHBondContact O-N 3.35Å; M115-G119 PolarHBondContact O-N 3.29Å
116D97.9Very high96.5Very high55 Ų5548.8 Ų48.829%0.29428%0.275SS..Hα-helixtrans-61.2-50.5177.1-62.5-23.6000111.1G112 A113 G118 G119 A120 L236 R243G112-D116 VanDerWaalsContact O-CG 3.31Å; G112-D116 PolarHBondContact O-N 3.44Å; A113-D116 PolarHBondContact O-N 3.2Å; D116-G118 PolarHBondContact O-N 2.95Å; D116-G119 PolarHBondContact O-N 2.99Å; D116-A120 WeakPolarHBondContact O-CB 3.43Å; D116-A120 PolarHBondContact O-N 3.36Å; D116-L236 HydrophobicContact CB-CD1 4.05Å; D116-R243 IonicContact OD1-NH2 3.51Å; D116-R243 IonicContact OD2-CZ 2.74Å; D116-R243 IonicContact OD2-NE 2.6Å; D116-R243 PolarHBondContact OD2-NE 3.42Å; D116-R243 IonicContact OD2-NH2 3.25Å; D116-R243 PolarHBondContact OD2-NH2 3.48Å
117V98.6Very high96.7Very high31 Ų3142.3 Ų42.319%0.18823%0.234CC..Hα-helixtrans-62.1-45.11781800000110.4M97 A113 G119 A120 L121 L236 L240M97-V117 HydrophobicContact CE-CG1 4.11Å; M97-V117 HydrophobicContact SD-CB 4Å; M97-V117 HydrophobicContact SD-CG1 3.46Å; M97-V117 WeakPolarHBondContact SD-CG1 3.25Å; A113-V117 VanDerWaalsContact O-CG2 3.28Å; A113-V117 WeakPolarHBondContact O-CG2 3.47Å; A113-V117 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact C-N 3.35Å; V117-G119 PolarHBondContact O-N 3.12Å; V117-A120 PolarHBondContact O-N 3.43Å; V117-L121 HydrophobicContact CG1-CD1 4.1Å; V117-L121 HydrophobicContact CG1-CG 4.35Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.31Å; V117-L236 HydrophobicContact CB-CD2 4.46Å; V117-L236 HydrophobicContact CG1-CD2 4.37Å; V117-L236 HydrophobicContact CG2-CD1 4.12Å; V117-L236 HydrophobicContact CG2-CD2 4.23Å; V117-L240 HydrophobicContact CG2-CD1 3.92Å; V117-L240 HydrophobicContact CG2-CD2 4.2Å
118G98.5Very high96.9Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-62.1-41.8-179.600000112.7G94 L114 M115 D116 L121 Q122G94-G118 WeakPolarHBondContact CA-O 3.46Å; G94-G118 WeakPolarHBondContact O-CA 3.33Å; L114-G118 PolarHBondContact O-N 3.09Å; M115-G118 PolarHBondContact O-N 3.35Å; D116-G118 PolarHBondContact O-N 2.95Å; G118-L121 PolarHBondContact O-N 3.34Å; G118-Q122 WeakPolarHBondContact O-CG 3.42Å; G118-Q122 PolarHBondContact O-N 3.38Å
119G98.3Very high96.9Very high23 Ų2339.7 Ų39.724%0.23721%0.207CC..Hα-helixtrans-65-40.7174.500000113.1M115 D116 V117 Q122 K123M115-G119 PolarHBondContact O-N 3.29Å; D116-G119 PolarHBondContact O-N 2.99Å; V117-G119 VanDerWaalsContact C-N 3.35Å; V117-G119 PolarHBondContact O-N 3.12Å; G119-Q122 WeakPolarHBondContact O-CB 3.43Å; G119-Q122 PolarHBondContact O-N 3.04Å; G119-K123 PolarHBondContact O-N 3.12Å
120A98.6Very high96.9Very high7 Ų738 Ų386%0.05820%0.204CC..Hα-helixtrans-63.7-44.4174.300000111.8D116 V117 Q122 K123 V124 V232 L236D116-A120 WeakPolarHBondContact O-CB 3.43Å; D116-A120 PolarHBondContact O-N 3.36Å; V117-A120 PolarHBondContact O-N 3.43Å; A120-Q122 VanDerWaalsContact C-N 3.32Å; A120-Q122 PolarHBondContact O-N 3.2Å; A120-K123 WeakPolarHBondContact O-CB 3.28Å; A120-K123 PolarHBondContact O-N 3.06Å; A120-V124 PolarHBondContact O-N 3.03Å; A120-V232 HydrophobicContact CB-CG1 3.88Å; A120-V232 WeakPolarHBondContact O-CG1 3.49Å; A120-L236 HydrophobicContact CB-CB 4.16Å; A120-L236 HydrophobicContact CB-CD1 4.13Å; A120-L236 HydrophobicContact CB-CD2 3.75Å; A120-L236 HydrophobicContact CB-CG 4.23Å
121L98.4Very high96.9Very high26 Ų2632 Ų3214%0.13618%0.178CC..Hα-helixtrans-64.9-32.5176.5-70.1179.3000113E90 L93 M97 V117 G118 K123 V124 G125E90-L121 HydrophobicContact CB-CD2 4.49Å; L93-L121 HydrophobicContact CB-CD1 4.19Å; L93-L121 HydrophobicContact CD2-CD1 3.69Å; L93-L121 HydrophobicContact CG-CD1 3.75Å; M97-L121 HydrophobicContact CE-CD1 4.46Å; M97-L121 HydrophobicContact SD-CD1 3.92Å; V117-L121 HydrophobicContact CG1-CD1 4.1Å; V117-L121 HydrophobicContact CG1-CG 4.35Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 3.31Å; G118-L121 PolarHBondContact O-N 3.34Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 2.88Å; L121-V124 PolarHBondContact O-N 3.2Å; L121-G125 PolarHBondContact O-N 2.98Å
122Q97.8Very high96.9Very high41 Ų4132 Ų3219%0.19218%0.178CC..Hα-helixtrans-59.4-44168.6-71.1-50.8-71.100111.8G91 K95 L98 G118 G119 A120 V124 G125 Q126G91-Q122 PolarHBondContact O-NE2 3.47Å; K95-Q122 VanDerWaalsContact N-NE2 3.15Å; L98-Q122 HydrophobicContact CD1-CG 3.81Å; G118-Q122 WeakPolarHBondContact O-CG 3.42Å; G118-Q122 PolarHBondContact O-N 3.38Å; G119-Q122 WeakPolarHBondContact O-CB 3.43Å; G119-Q122 PolarHBondContact O-N 3.04Å; A120-Q122 VanDerWaalsContact C-N 3.32Å; A120-Q122 PolarHBondContact O-N 3.2Å; Q122-V124 VanDerWaalsContact C-N 3.35Å; Q122-G125 PolarHBondContact O-N 3.45Å; Q122-Q126 WeakPolarHBondContact O-CG 3.37Å; Q122-Q126 PolarHBondContact O-N 2.9Å
123K97.7Very high96.7Very high125 Ų12532.7 Ų32.754%0.54318%0.179SC..Hα-helixtrans-64.6-39.4178.5-65.6172.1-175.6172.80111.4G119 A120 L121 Q126 A127 V232G119-K123 PolarHBondContact O-N 3.12Å; A120-K123 WeakPolarHBondContact O-CB 3.28Å; A120-K123 PolarHBondContact O-N 3.06Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 2.88Å; K123-Q126 PolarHBondContact O-N 2.9Å; K123-A127 PolarHBondContact O-N 2.97Å; K123-V232 HydrophobicContact CB-CG1 4.14Å; K123-V232 HydrophobicContact CB-CG2 4.19Å; K123-V232 HydrophobicContact CD-CG1 4.44Å
124V98.1Very high96.5Very high11 Ų1132.8 Ų32.87%0.06718%0.182CC..Hα-helixtrans-63.1-45173.7178.60000110.8E90 A120 L121 Q122 Q126 A127 K128 A229 V232E90-V124 HydrophobicContact CB-CB 4.42Å; E90-V124 HydrophobicContact CB-CG1 4.3Å; E90-V124 HydrophobicContact CG-CG1 3.91Å; A120-V124 PolarHBondContact O-N 3.03Å; L121-V124 PolarHBondContact O-N 3.2Å; Q122-V124 VanDerWaalsContact C-N 3.35Å; V124-Q126 VanDerWaalsContact C-N 3.34Å; V124-Q126 PolarHBondContact O-N 2.92Å; V124-A127 WeakPolarHBondContact O-CB 3.42Å; V124-A127 PolarHBondContact O-N 3.07Å; V124-A127 VanDerWaalsContact O-N 3.11Å; V124-K128 PolarHBondContact O-N 2.95Å; V124-A229 HydrophobicContact CG1-CB 4.35Å; V124-V232 HydrophobicContact CG2-CB 4.34Å; V124-V232 HydrophobicContact CG2-CG1 3.96Å
125G96.1Very high96.4Very high3 Ų331.5 Ų31.53%0.03118%0.175CC..Hα-helixtrans-58.1-42.4174.300000112.9L121 Q122 A127 K128 D129L121-G125 PolarHBondContact O-N 2.98Å; Q122-G125 PolarHBondContact O-N 3.45Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.07Å; G125-K128 WeakPolarHBondContact O-CB 3.45Å; G125-K128 PolarHBondContact O-N 3.48Å; G125-K128 VanDerWaalsContact O-N 3.15Å; G125-D129 PolarHBondContact O-N 3.31Å
126Q94.2Very high96.2Very high111 Ų11128.4 Ų28.452%0.51916%0.159SC..Hα-helixtrans-65.2-35.8174.6-70170.89.900112.9Q122 K123 V124 K128 D129 A130Q122-Q126 WeakPolarHBondContact O-CG 3.37Å; Q122-Q126 PolarHBondContact O-N 2.9Å; K123-Q126 PolarHBondContact O-N 2.9Å; V124-Q126 VanDerWaalsContact C-N 3.34Å; V124-Q126 PolarHBondContact O-N 2.92Å; Q126-K128 VanDerWaalsContact C-N 3.31Å; Q126-D129 PolarHBondContact O-N 3.36Å; Q126-A130 PolarHBondContact O-N 3.37Å
127A95.4Very high96Very high9 Ų932.2 Ų32.27%0.07417%0.169CC..Hα-helixtrans-65.9-37172.800000111.1K123 V124 G125 A130 L131 F225K123-A127 PolarHBondContact O-N 2.97Å; V124-A127 WeakPolarHBondContact O-CB 3.42Å; V124-A127 PolarHBondContact O-N 3.07Å; V124-A127 VanDerWaalsContact O-N 3.11Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.07Å; A127-A130 WeakPolarHBondContact O-CB 3.43Å; A127-A130 PolarHBondContact O-N 3.49Å; A127-L131 PolarHBondContact O-N 3.19Å; A127-F225 HydrophobicContact CB-CD2 3.97Å; A127-F225 HydrophobicContact CB-CE2 4.18Å
128K96Very high95.8Very high24 Ų2433.4 Ų33.410%0.10418%0.177CC..Hα-helixtrans-67.4-40175.1-173.861.117458.80112.1L58 Q88 V124 G125 Q126 A130 L131 D132 F225L58-K128 PolarHBondContact O-NZ 3.18Å; Q88-K128 HydrophobicContact CG-CB 4.14Å; Q88-K128 HydrophobicContact CG-CG 4.09Å; Q88-K128 VanDerWaalsContact OE1-CG 3.27Å; V124-K128 PolarHBondContact O-N 2.95Å; G125-K128 WeakPolarHBondContact O-CB 3.45Å; G125-K128 PolarHBondContact O-N 3.48Å; G125-K128 VanDerWaalsContact O-N 3.15Å; Q126-K128 VanDerWaalsContact C-N 3.31Å; K128-A130 VanDerWaalsContact C-N 3.28Å; K128-A130 PolarHBondContact O-N 3.47Å; K128-L131 HydrophobicContact CD-CD2 3.94Å; K128-L131 WeakPolarHBondContact O-CB 3.47Å; K128-L131 PolarHBondContact O-N 3.32Å; K128-D132 IonicContact NZ-OD1 3.42Å; K128-D132 PolarHBondContact NZ-OD1 3.35Å; K128-D132 IonicContact NZ-OD2 3.78Å; K128-D132 PolarHBondContact O-N 3.07Å; K128-F225 HydrophobicContact CB-CE2 3.8Å; K128-F225 HydrophobicContact CB-CZ 4.35Å; K128-F225 HydrophobicContact CD-CE2 4.03Å; K128-F225 HydrophobicContact CD-CZ 3.94Å
129D93.3Very high95.7Very high20 Ų2033.5 Ų33.511%0.10718%0.177CC..Hα-helixtrans-58.7-41.8170.8-75.8-24.6000111.9V84 Q88 G125 Q126 V133V84-D129 HydrophobicContact CG2-CB 3.6Å; V84-D129 WeakPolarHBondContact CG2-OD1 3.46Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.38Å; Q88-D129 PolarHBondContact NE2-OD1 3.46Å; G125-D129 PolarHBondContact O-N 3.31Å; Q126-D129 PolarHBondContact O-N 3.36Å; D129-V133 VanDerWaalsContact O-CG2 3.32Å; D129-V133 WeakPolarHBondContact O-CG2 3.42Å; D129-V133 PolarHBondContact O-N 3Å; D129-V133 VanDerWaalsContact O-N 3.16Å
130A93.3Very high95.6Very high31 Ų3132.8 Ų32.826%0.25617%0.168SC..Hα-helixtrans-66.4-36.8176.700000112.5Q126 A127 K128 G134Q126-A130 PolarHBondContact O-N 3.37Å; A127-A130 WeakPolarHBondContact O-CB 3.43Å; A127-A130 PolarHBondContact O-N 3.49Å; K128-A130 VanDerWaalsContact C-N 3.28Å; K128-A130 PolarHBondContact O-N 3.47Å; A130-G134 PolarHBondContact O-N 3.29Å
131L96.1Very high95.4Very high11 Ų1134.1 Ų34.16%0.05817%0.174CC..Hα-helixtrans-60.9-52174.2178.266.9000111.1L58 A127 K128 V133 G134 I135 A221 L222 F225L58-L131 HydrophobicContact CD2-CD2 4.15Å; L58-L131 HydrophobicContact CD2-CG 4.11Å; A127-L131 PolarHBondContact O-N 3.19Å; K128-L131 HydrophobicContact CD-CD2 3.94Å; K128-L131 WeakPolarHBondContact O-CB 3.47Å; K128-L131 PolarHBondContact O-N 3.32Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 3.4Å; L131-G134 PolarHBondContact O-N 3.43Å; L131-G134 VanDerWaalsContact O-N 3.14Å; L131-I135 HydrophobicContact CD1-CD1 3.4Å; L131-I135 VanDerWaalsContact CD1-CD1 3.4Å; L131-I135 HydrophobicContact CD1-CG1 4.1Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 PolarHBondContact O-N 3.18Å; L131-A221 HydrophobicContact CD1-CB 4.03Å; L131-A221 VanDerWaalsContact CD1-O 3.3Å; L131-A221 WeakPolarHBondContact CD1-O 3.4Å; L131-L222 HydrophobicContact CD1-CD2 4.24Å; L131-L222 HydrophobicContact CD2-CD2 4.3Å; L131-F225 HydrophobicContact CB-CB 4.12Å; L131-F225 HydrophobicContact CB-CD2 4.24Å; L131-F225 HydrophobicContact CB-CG 4.22Å; L131-F225 HydrophobicContact CD1-CB 3.87Å; L131-F225 HydrophobicContact CD2-CB 4.06Å; L131-F225 HydrophobicContact CD2-CD1 3.81Å; L131-F225 HydrophobicContact CD2-CD2 4.32Å; L131-F225 HydrophobicContact CD2-CE1 4.34Å; L131-F225 HydrophobicContact CD2-CG 3.79Å; L131-F225 HydrophobicContact CG-CB 4.24Å; L131-F225 HydrophobicContact CG-CG 4.39Å
132D95.1Very high95.2Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-57.2-48.7-178.5-73.16.3000111Q59 L68 V84 Y86 Q88 K128 G134 K136Q59-D132 PolarHBondContact NE2-OD2 2.89Å; L68-D132 HydrophobicContact CD1-CB 4.12Å; V84-D132 HydrophobicContact CG1-CB 4.33Å; V84-D132 HydrophobicContact CG2-CB 4.48Å; Y86-D132 PolarHBondContact OH-OD2 3.01Å; Q88-D132 PolarHBondContact NE2-OD2 3.02Å; Q88-D132 VanDerWaalsContact NE2-OD2 3.07Å; K128-D132 IonicContact NZ-OD1 3.42Å; K128-D132 PolarHBondContact NZ-OD1 3.35Å; K128-D132 IonicContact NZ-OD2 3.78Å; K128-D132 PolarHBondContact O-N 3.07Å; D132-G134 VanDerWaalsContact C-N 3.35Å; D132-K136 VanDerWaalsContact O-CB 3.25Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 PolarHBondContact O-N 3.41Å
133V92.1Very high95.1Very high31 Ų3134 Ų3419%0.18818%0.179CC..Hα-helixtrans-66.4-38.2178175.40000111.7L71 V84 D129 L131 R137L71-V133 HydrophobicContact CD2-CG2 4.07Å; V84-V133 HydrophobicContact CG2-CG2 4.02Å; D129-V133 VanDerWaalsContact O-CG2 3.32Å; D129-V133 WeakPolarHBondContact O-CG2 3.42Å; D129-V133 PolarHBondContact O-N 3Å; D129-V133 VanDerWaalsContact O-N 3.16Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 3.4Å; V133-R137 WeakPolarHBondContact O-CB 3.33Å; V133-R137 PolarHBondContact O-N 3.46Å; V133-R137 VanDerWaalsContact O-N 3.16Å
134G93.8Very high94.9Very high22 Ų2231.2 Ų31.223%0.22717%0.167CC..Hα-helixtrans-59.7-59.6177.400000110.9A130 L131 D132 K136 R137 T138A130-G134 PolarHBondContact O-N 3.29Å; L131-G134 PolarHBondContact O-N 3.43Å; L131-G134 VanDerWaalsContact O-N 3.14Å; D132-G134 VanDerWaalsContact C-N 3.35Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.87Å; G134-R137 PolarHBondContact O-N 3.3Å; G134-R137 VanDerWaalsContact O-N 3.11Å; G134-T138 PolarHBondContact O-N 3.15Å; G134-T138 PolarHBondContact O-OG1 2.92Å
135I96.7Very high94.7Very high0 Ų032.5 Ų32.50%018%0.182CC..Hα-helixtrans-63.7-38.2-178.2-70.9171.6000111.4T54 L58 L131 R137 F139 I140 L218 A221 L222T54-I135 HydrophobicContact CG2-CG2 3.65Å; L58-I135 HydrophobicContact CD1-CB 4Å; L58-I135 HydrophobicContact CD1-CG2 3.73Å; L58-I135 HydrophobicContact CD2-CB 4.49Å; L58-I135 HydrophobicContact CD2-CD1 3.76Å; L131-I135 HydrophobicContact CD1-CD1 3.4Å; L131-I135 VanDerWaalsContact CD1-CD1 3.4Å; L131-I135 HydrophobicContact CD1-CG1 4.1Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 PolarHBondContact O-N 3.18Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 3.32Å; I135-F139 HydrophobicContact CG2-CB 4.05Å; I135-F139 HydrophobicContact CG2-CD1 4.28Å; I135-F139 WeakPolarHBondContact O-CA 3.29Å; I135-F139 WeakPolarHBondContact O-CB 3.48Å; I135-F139 PolarHBondContact O-N 2.96Å; I135-I140 HydrophobicContact CG2-CD1 4.41Å; I135-I140 HydrophobicContact CG2-CG1 4.35Å; I135-I140 PolarHBondContact O-N 2.9Å; I135-L218 HydrophobicContact CD1-CD1 3.59Å; I135-L218 HydrophobicContact CG1-CD1 3.92Å; I135-L218 HydrophobicContact CG2-CD1 3.89Å; I135-A221 HydrophobicContact CD1-CB 4.17Å; I135-A221 HydrophobicContact CG1-CB 3.66Å; I135-L222 HydrophobicContact CD1-CD2 4.19Å; I135-L222 HydrophobicContact CD1-CG 4.19Å
136K94.4Very high94.5Very high15 Ų1533.3 Ų33.37%0.06519%0.186CC..Iπ-helixtrans-54.9-47.9173.5-179.555.816365.90111.4L68 D132 G134 I140 D141L68-K136 HydrophobicContact CD1-CB 4.3Å; L68-K136 WeakPolarHBondContact O-CE 3.28Å; D132-K136 VanDerWaalsContact O-CB 3.25Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 PolarHBondContact O-N 3.41Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.87Å; K136-I140 HydrophobicContact CD-CB 3.98Å; K136-I140 HydrophobicContact CD-CD1 4.25Å; K136-I140 HydrophobicContact CD-CG2 3.98Å; K136-I140 PolarHBondContact O-N 3.39Å; K136-D141 IonicContact NZ-OD1 3.2Å; K136-D141 PolarHBondContact NZ-OD1 3.05Å; K136-D141 IonicContact NZ-OD2 2.91Å; K136-D141 WeakPolarHBondContact O-CB 3.29Å; K136-D141 PolarHBondContact O-N 3.11Å
137R93.2Very high94.4Very high135 Ų13531 Ų3151%0.50918%0.175SC..Iπ-helixtrans-75.2-39.5-176.9177.9175.6179.7-160.32.8113.9T73 V133 G134 I135 P142T73-R137 HydrophobicContact CG2-CG 4.21Å; V133-R137 WeakPolarHBondContact O-CB 3.33Å; V133-R137 PolarHBondContact O-N 3.46Å; V133-R137 VanDerWaalsContact O-N 3.16Å; G134-R137 PolarHBondContact O-N 3.3Å; G134-R137 VanDerWaalsContact O-N 3.11Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 3.32Å; R137-P142 WeakPolarHBondContact O-CD 3.36Å
138T95.3Very high94.3Very high57 Ų5736.3 Ų36.335%0.3520%0.199SC..Iπ-helixtrans-100.7-13.8-168.362.20000113.7G134G134-T138 PolarHBondContact O-N 3.15Å; G134-T138 PolarHBondContact O-OG1 2.92Å
139F96.8Very high94.1Very high1 Ų138.5 Ų38.50%0.00422%0.217CC..Iπ-helixtrans-123.5-59.5179.4-179.1-103.6000111.7L50 T54 I135 P142 L143 P214 L215 L218L50-F139 HydrophobicContact CB-CZ 4.28Å; T54-F139 HydrophobicContact CG2-CD1 3.85Å; T54-F139 HydrophobicContact CG2-CE1 3.91Å; T54-F139 VanDerWaalsContact OG1-CE1 3.25Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.28Å; I135-F139 HydrophobicContact CG2-CB 4.05Å; I135-F139 HydrophobicContact CG2-CD1 4.28Å; I135-F139 WeakPolarHBondContact O-CA 3.29Å; I135-F139 WeakPolarHBondContact O-CB 3.48Å; I135-F139 PolarHBondContact O-N 2.96Å; F139-P142 WeakPolarHBondContact O-CD 3.41Å; F139-L143 HydrophobicContact CD1-CD1 4.43Å; F139-L143 HydrophobicContact CD2-CD1 4.13Å; F139-L143 HydrophobicContact CE1-CD1 3.93Å; F139-L143 HydrophobicContact CE2-CD1 3.63Å; F139-L143 HydrophobicContact CZ-CD1 3.53Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.46Å; F139-L143 PolarHBondContact O-N 3.41Å; F139-P214 HydrophobicContact CD2-CB 3.71Å; F139-P214 VanDerWaalsContact CD2-O 3.28Å; F139-P214 WeakPolarHBondContact CD2-O 3.23Å; F139-P214 HydrophobicContact CE2-CB 4.22Å; F139-L215 HydrophobicContact CE2-CD2 3.99Å; F139-L218 HydrophobicContact CB-CB 4.42Å; F139-L218 HydrophobicContact CD2-CB 3.87Å; F139-L218 HydrophobicContact CD2-CD2 4.34Å; F139-L218 HydrophobicContact CE1-CD2 4.3Å; F139-L218 HydrophobicContact CE2-CB 4.3Å; F139-L218 HydrophobicContact CE2-CD2 4.04Å; F139-L218 HydrophobicContact CG-CB 4.13Å; F139-L218 HydrophobicContact CZ-CD2 4.01Å
140I95.8Very high94.1Very high9 Ų941 Ų415%0.04623%0.23CC..Iπ-helixtrans-67.7-50-172.5-58.9175.6000111.5M51 L58 I135 K136 L143 Q144M51-I140 HydrophobicContact CG-CG2 4.46Å; M51-I140 HydrophobicContact SD-CG2 4.47Å; L58-I140 HydrophobicContact CD1-CD1 4.31Å; I135-I140 HydrophobicContact CG2-CD1 4.41Å; I135-I140 HydrophobicContact CG2-CG1 4.35Å; I135-I140 PolarHBondContact O-N 2.9Å; K136-I140 HydrophobicContact CD-CB 3.98Å; K136-I140 HydrophobicContact CD-CD1 4.25Å; K136-I140 HydrophobicContact CD-CG2 3.98Å; K136-I140 PolarHBondContact O-N 3.39Å; I140-L143 PolarHBondContact O-N 3.34Å; I140-Q144 VanDerWaalsContact O-CB 3.29Å; I140-Q144 WeakPolarHBondContact O-CB 3.45Å; I140-Q144 PolarHBondContact O-N 3.16Å
141D94.1Very high94.2Very high34 Ų3439.9 Ų39.918%0.18222%0.22CC..Hα-helixtrans-60.5-46.8-178-74.2-13.7000113.2T73 K136 Q144 G145T73-D141 PolarHBondContact OG1-OD2 3.5Å; K136-D141 IonicContact NZ-OD1 3.2Å; K136-D141 PolarHBondContact NZ-OD1 3.05Å; K136-D141 IonicContact NZ-OD2 2.91Å; K136-D141 WeakPolarHBondContact O-CB 3.29Å; K136-D141 PolarHBondContact O-N 3.11Å; D141-Q144 PolarHBondContact O-N 2.77Å; D141-G145 PolarHBondContact O-N 2.6Å
142P94.5Very high94.1Very high60 Ų6046.6 Ų46.639%0.3925%0.248SC..Hα-helixtrans-59-46.4175.1-27.535.9000113.4R137 F139 Q144 G145 L146 P214R137-P142 WeakPolarHBondContact O-CD 3.36Å; F139-P142 WeakPolarHBondContact O-CD 3.41Å; P142-Q144 VanDerWaalsContact C-N 3.31Å; P142-Q144 PolarHBondContact O-N 2.93Å; P142-G145 PolarHBondContact O-N 3.36Å; P142-L146 PolarHBondContact O-N 2.88Å; P142-P214 HydrophobicContact CB-CG 4.36Å
143L94.8Very high94.2Very high6 Ų651 Ų513%0.03127%0.269CS..Hα-helixtrans-66.1-36.4179-63.5-171.8000111.7L47 M51 F139 I140 L146 Q147 P214L47-L143 HydrophobicContact CD2-CB 4.46Å; L47-L143 HydrophobicContact CD2-CD1 4.36Å; L47-L143 HydrophobicContact CD2-CD2 3.81Å; L47-L143 HydrophobicContact CD2-CG 4.41Å; M51-L143 HydrophobicContact CG-CB 3.94Å; M51-L143 HydrophobicContact CG-CD1 4.29Å; M51-L143 HydrophobicContact SD-CB 3.85Å; F139-L143 HydrophobicContact CD1-CD1 4.43Å; F139-L143 HydrophobicContact CD2-CD1 4.13Å; F139-L143 HydrophobicContact CE1-CD1 3.93Å; F139-L143 HydrophobicContact CE2-CD1 3.63Å; F139-L143 HydrophobicContact CZ-CD1 3.53Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.46Å; F139-L143 PolarHBondContact O-N 3.41Å; I140-L143 PolarHBondContact O-N 3.34Å; L143-L146 PolarHBondContact O-N 2.87Å; L143-Q147 WeakPolarHBondContact O-CB 3.45Å; L143-Q147 PolarHBondContact O-N 2.94Å; L143-P214 HydrophobicContact CD2-CB 3.98Å; L143-P214 HydrophobicContact CD2-CG 3.91Å; L143-P214 HydrophobicContact CG-CB 4.28Å
144Q94.2Very high94.5Very high66 Ų6649.7 Ų49.731%0.30826%0.261SS..Hα-helixtrans-64.5-41.5174-174.8172.92.500111.3M51 I140 D141 P142 Q147 Q148M51-Q144 HydrophobicContact SD-CB 3.83Å; M51-Q144 PolarHBondContact SD-N 2.88Å; M51-Q144 VanDerWaalsContact SD-N 3.41Å; I140-Q144 VanDerWaalsContact O-CB 3.29Å; I140-Q144 WeakPolarHBondContact O-CB 3.45Å; I140-Q144 PolarHBondContact O-N 3.16Å; D141-Q144 PolarHBondContact O-N 2.77Å; P142-Q144 VanDerWaalsContact C-N 3.31Å; P142-Q144 PolarHBondContact O-N 2.93Å; Q144-Q147 PolarHBondContact O-N 3.48Å; Q144-Q148 HydrophobicContact CG-CG 4.38Å; Q144-Q148 VanDerWaalsContact NE2-NE2 3.13Å; Q144-Q148 WeakPolarHBondContact O-CB 3.41Å; Q144-Q148 VanDerWaalsContact O-CG 3.28Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 3.39Å
145G92.9Very high94.6Very high37 Ų3755.9 Ų55.938%0.38128%0.282SS..Hα-helixtrans-59.8-48.6174.300000112.3D141 P142 Q147 Q148 S149D141-G145 PolarHBondContact O-N 2.6Å; P142-G145 PolarHBondContact O-N 3.36Å; G145-Q147 VanDerWaalsContact C-N 3.29Å; G145-Q147 PolarHBondContact O-N 3.45Å; G145-Q148 PolarHBondContact O-N 2.91Å; G145-S149 WeakPolarHBondContact O-CB 3.34Å; G145-S149 PolarHBondContact O-N 3.3Å
146L92.6Very high94.6Very high20 Ų2062.3 Ų62.311%0.10531%0.307CS..Hα-helixtrans-57.2-42.7176-176.664.2000111.7L47 P142 L143 D150 M151 L204 L211L47-L146 HydrophobicContact CD1-CD2 3.79Å; L47-L146 HydrophobicContact CD1-CG 4.15Å; L47-L146 HydrophobicContact CD2-CD2 4.33Å; P142-L146 PolarHBondContact O-N 2.88Å; L143-L146 PolarHBondContact O-N 2.87Å; L146-D150 HydrophobicContact CD1-CB 4.12Å; L146-D150 WeakPolarHBondContact CD1-OD2 3.49Å; L146-D150 PolarHBondContact O-N 2.99Å; L146-D150 VanDerWaalsContact O-N 3.09Å; L146-M151 PolarHBondContact O-N 3.07Å; L146-M151 VanDerWaalsContact O-N 3.12Å; L146-L204 HydrophobicContact CD1-CD1 3.79Å; L146-L211 HydrophobicContact CD2-CD2 3.96Å
147Q92.1Very high94.8Very high63 Ų6362 Ų6229%0.29431%0.306SS..Iπ-helixtrans-70.3-36.6178.6-166178.2-54.800113L143 Q144 G145L143-Q147 WeakPolarHBondContact O-CB 3.45Å; L143-Q147 PolarHBondContact O-N 2.94Å; Q144-Q147 PolarHBondContact O-N 3.48Å; G145-Q147 VanDerWaalsContact C-N 3.29Å; G145-Q147 PolarHBondContact O-N 3.45Å
148Q92.9Very high94.9Very high121 Ų12156.9 Ų56.957%0.56529%0.288SS*.Iπ-helixtrans-83.1-26.6-176.7-71.4-176.3300113.7Q144 G145 K152Q144-Q148 HydrophobicContact CG-CG 4.38Å; Q144-Q148 VanDerWaalsContact NE2-NE2 3.13Å; Q144-Q148 WeakPolarHBondContact O-CB 3.41Å; Q144-Q148 VanDerWaalsContact O-CG 3.28Å; Q144-Q148 WeakPolarHBondContact O-CG 3.33Å; Q144-Q148 PolarHBondContact O-N 3.39Å; G145-Q148 PolarHBondContact O-N 2.91Å; Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 WeakPolarHBondContact O-CD 3.24Å
149S93.2Very high95Very high70 Ų7062.3 Ų62.349%0.4931%0.307SS..Iπ-helixtrans-94.5-77.9175.9-178.80000111.3G145 K152 Q153G145-S149 WeakPolarHBondContact O-CB 3.34Å; G145-S149 PolarHBondContact O-N 3.3Å; S149-K152 PolarHBondContact O-N 2.93Å; S149-Q153 WeakPolarHBondContact O-CB 3.4Å; S149-Q153 PolarHBondContact O-N 3.04Å
150D92.9Very high95Very high73 Ų7366.5 Ų66.539%0.3933%0.325SS..Iπ-helixtrans-77.9-41.7-159.8-54.1-25.7000111.2L146 K152 Q153 I154L146-D150 HydrophobicContact CD1-CB 4.12Å; L146-D150 WeakPolarHBondContact CD1-OD2 3.49Å; L146-D150 PolarHBondContact O-N 2.99Å; L146-D150 VanDerWaalsContact O-N 3.09Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 3.46Å; D150-Q153 PolarHBondContact O-N 3.35Å; D150-I154 WeakPolarHBondContact O-CB 3.46Å; D150-I154 WeakPolarHBondContact O-CG1 3.23Å; D150-I154 PolarHBondContact O-N 3.47Å
151M94.6Very high95Very high7 Ų766.2 Ų66.23%0.03432%0.324CS..Iπ-helixtrans-60.9-41.5175-67.7-58.288.400111.4V40 M43 N44 L47 L146 I154 K155 L204V40-M151 HydrophobicContact CG1-CE 4.33Å; V40-M151 HydrophobicContact CG1-SD 4.1Å; M43-M151 HydrophobicContact CE-CE 4.18Å; M43-M151 HydrophobicContact CE-SD 4.42Å; N44-M151 HydrophobicContact CB-CG 4.42Å; N44-M151 HydrophobicContact CB-SD 3.98Å; L47-M151 HydrophobicContact CD1-CG 4.11Å; L47-M151 HydrophobicContact CD1-SD 4.48Å; L146-M151 PolarHBondContact O-N 3.07Å; L146-M151 VanDerWaalsContact O-N 3.12Å; M151-I154 HydrophobicContact CE-CD1 4.08Å; M151-K155 VanDerWaalsContact O-CB 3.25Å; M151-K155 WeakPolarHBondContact O-CB 3.27Å; M151-K155 PolarHBondContact O-N 3.5Å; M151-L204 HydrophobicContact CE-CD1 3.44Å; M151-L204 VanDerWaalsContact CE-CD1 3.44Å; M151-L204 HydrophobicContact CE-CD2 3.11Å; M151-L204 HydrophobicContact CE-CG 3.83Å; M151-L204 HydrophobicContact SD-CD2 4.37Å
152K95.4Very high95Very high151 Ų15168 Ų6866%0.65733%0.333SS*.Hα-helixtrans-65.8-41.3179.2-169.8177.9-179.7-179.30111.2Q148 S149 D150 Y156Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 WeakPolarHBondContact O-CD 3.24Å; S149-K152 PolarHBondContact O-N 2.93Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 3.46Å; K152-Y156 PolarHBondContact O-N 3.24Å
153Q96.9Very high95Very high92 Ų9265.7 Ų65.743%0.4332%0.321SS..Hα-helixtrans-66.2-46177.2-179.860.88.800112S149 D150 K155 Y156 Q157S149-Q153 WeakPolarHBondContact O-CB 3.4Å; S149-Q153 PolarHBondContact O-N 3.04Å; D150-Q153 PolarHBondContact O-N 3.35Å; Q153-K155 PolarHBondContact O-N 2.84Å; Q153-Y156 WeakPolarHBondContact O-CB 3.38Å; Q153-Y156 PolarHBondContact O-N 3.4Å; Q153-Y156 VanDerWaalsContact O-N 3.16Å; Q153-Q157 WeakPolarHBondContact O-CG 3.4Å; Q153-Q157 PolarHBondContact O-N 3.09Å
154I96.8Very high95Very high5 Ų566.7 Ų66.73%0.02633%0.325CS..Hα-helixtrans-63.7-43.5177.8-70.5164.4000110.6V40 D150 M151 Y156 Q157 L158 M201 L204V40-I154 HydrophobicContact CG1-CG2 4Å; D150-I154 WeakPolarHBondContact O-CB 3.46Å; D150-I154 WeakPolarHBondContact O-CG1 3.23Å; D150-I154 PolarHBondContact O-N 3.47Å; M151-I154 HydrophobicContact CE-CD1 4.08Å; I154-Y156 VanDerWaalsContact C-N 3.25Å; I154-Y156 PolarHBondContact O-N 3.38Å; I154-Q157 PolarHBondContact O-N 2.71Å; I154-Q157 VanDerWaalsContact O-N 3.09Å; I154-L158 HydrophobicContact CG2-CD1 3.94Å; I154-L158 HydrophobicContact CG2-CG 4.22Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 2.95Å; I154-M201 HydrophobicContact CG2-CG 3.69Å; I154-M201 HydrophobicContact CG2-SD 4.47Å; I154-L204 HydrophobicContact CD1-CB 4.08Å; I154-L204 HydrophobicContact CD1-CD2 3.55Å; I154-L204 HydrophobicContact CD1-CG 4.38Å
155K96.5Very high95.1Very high152 Ų15265.5 Ų65.566%0.66132%0.318SS*.Hα-helixtrans-57.8-39.4174.3-173.4174.5-175.31720112.1M151 Q153 K159M151-K155 VanDerWaalsContact O-CB 3.25Å; M151-K155 WeakPolarHBondContact O-CB 3.27Å; M151-K155 PolarHBondContact O-N 3.5Å; Q153-K155 PolarHBondContact O-N 2.84Å; K155-K159 WeakPolarHBondContact O-CB 3.45Å; K155-K159 PolarHBondContact O-N 3.17Å; K155-K159 VanDerWaalsContact O-N 3.12Å
156Y97.1Very high95.1Very high135 Ų13564.1 Ų64.153%0.52930%0.302SS..Hα-helixtrans-65.1-45.7174.2170.7-95.4000112K152 Q153 I154 K159 K160K152-Y156 PolarHBondContact O-N 3.24Å; Q153-Y156 WeakPolarHBondContact O-CB 3.38Å; Q153-Y156 PolarHBondContact O-N 3.4Å; Q153-Y156 VanDerWaalsContact O-N 3.16Å; I154-Y156 VanDerWaalsContact C-N 3.25Å; I154-Y156 PolarHBondContact O-N 3.38Å; Y156-K159 PolarHBondContact O-N 2.95Å; Y156-K160 HydrophobicContact CE1-CD 4.34Å; Y156-K160 PolarHBondContact O-N 3.39Å
157Q97.4Very high95.1Very high7 Ų763.5 Ų63.53%0.03330%0.299CS..Hα-helixtrans-62.4-45.7178.2-69.3166-23.200111.6Q153 I154 K159 K160 V161 L196 A197 S200Q153-Q157 WeakPolarHBondContact O-CG 3.4Å; Q153-Q157 PolarHBondContact O-N 3.09Å; I154-Q157 PolarHBondContact O-N 2.71Å; I154-Q157 VanDerWaalsContact O-N 3.09Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-K159 PolarHBondContact O-N 2.87Å; Q157-K160 CarbonylContact O-C 3.53Å; Q157-K160 WeakPolarHBondContact O-CA 3.41Å; Q157-K160 VanDerWaalsContact O-CB 3.28Å; Q157-K160 WeakPolarHBondContact O-CB 3.46Å; Q157-K160 PolarHBondContact O-N 3.08Å; Q157-V161 WeakPolarHBondContact O-CG2 3.32Å; Q157-V161 PolarHBondContact O-N 2.96Å; Q157-L196 HydrophobicContact CG-CD2 4.44Å; Q157-L196 HydrophobicContact CG-CG 4.48Å; Q157-A197 HydrophobicContact CB-CB 3.87Å; Q157-S200 PolarHBondContact NE2-OG 3.39Å; Q157-S200 PolarHBondContact OE1-OG 3.01Å
158L96.9Very high95.2Very high28 Ų2861 Ų6115%0.14729%0.287CS..Hα-helixtrans-58.8-44175.7-70.4172.6000111.9F33 E37 I154 K160 V161 N162 A197 M201F33-L158 HydrophobicContact CE1-CD2 4.04Å; F33-L158 HydrophobicContact CZ-CD2 3.76Å; E37-L158 HydrophobicContact CG-CD1 4.15Å; E37-L158 HydrophobicContact CG-CD2 4.22Å; I154-L158 HydrophobicContact CG2-CD1 3.94Å; I154-L158 HydrophobicContact CG2-CG 4.22Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 2.95Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 3.29Å; L158-V161 PolarHBondContact O-N 2.88Å; L158-N162 PolarHBondContact O-N 2.75Å; L158-A197 HydrophobicContact CD2-CB 4.37Å; L158-M201 HydrophobicContact CD1-SD 4.39Å; L158-M201 HydrophobicContact CD2-CE 4.12Å; L158-M201 HydrophobicContact CD2-SD 3.93Å
159K96.6Very high95.1Very high171 Ų17155.4 Ų55.474%0.74326%0.261SS*.Hα-helixtrans-60.9-37.7173.6-171.9175.7-176.8175.80111.8K155 Y156 Q157 G163K155-K159 WeakPolarHBondContact O-CB 3.45Å; K155-K159 PolarHBondContact O-N 3.17Å; K155-K159 VanDerWaalsContact O-N 3.12Å; Y156-K159 PolarHBondContact O-N 2.95Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-K159 PolarHBondContact O-N 2.87Å; K159-G163 PolarHBondContact O-N 3.14Å
160K96.6Very high95Very high89 Ų8953.2 Ų53.239%0.38724%0.242SC..Hα-helixtrans-66.9-44.7176.1-171.4178.2179-177.90111.2Y156 Q157 L158 G163 Q164Y156-K160 HydrophobicContact CE1-CD 4.34Å; Y156-K160 PolarHBondContact O-N 3.39Å; Q157-K160 CarbonylContact O-C 3.53Å; Q157-K160 WeakPolarHBondContact O-CA 3.41Å; Q157-K160 VanDerWaalsContact O-CB 3.28Å; Q157-K160 WeakPolarHBondContact O-CB 3.46Å; Q157-K160 PolarHBondContact O-N 3.08Å; L158-K160 VanDerWaalsContact C-N 3.26Å; L158-K160 PolarHBondContact O-N 3.29Å; K160-G163 CarbonylContact O-C 3.56Å; K160-G163 PolarHBondContact O-N 3.27Å; K160-Q164 HydrophobicContact CG-CG 4.49Å; K160-Q164 WeakPolarHBondContact O-CG 3.43Å; K160-Q164 PolarHBondContact O-N 3.07Å
161V96.2Very high94.9Very high3 Ų351.6 Ų51.62%0.01823%0.231CC..Hα-helixtrans-55.1-55.3175.7172.40000110.5L29 F33 Q157 L158 G163 Q164 R165 F190 S193 K194 A197L29-V161 HydrophobicContact CD2-CG1 4.48Å; F33-V161 HydrophobicContact CZ-CG1 4.32Å; Q157-V161 WeakPolarHBondContact O-CG2 3.32Å; Q157-V161 PolarHBondContact O-N 2.96Å; L158-V161 PolarHBondContact O-N 2.88Å; V161-G163 VanDerWaalsContact C-N 3.25Å; V161-G163 PolarHBondContact O-N 3.14Å; V161-Q164 PolarHBondContact O-N 3Å; V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 3.4Å; V161-F190 HydrophobicContact CG1-CD2 4.48Å; V161-F190 HydrophobicContact CG1-CE2 3.97Å; V161-S193 VanDerWaalsContact CG2-C 3.45Å; V161-S193 WeakPolarHBondContact CG2-O 3.44Å; V161-K194 HydrophobicContact CG1-CB 4.43Å; V161-K194 HydrophobicContact CG2-CB 4.48Å; V161-A197 HydrophobicContact CG2-CB 3.77Å
162N94.3Very high94.7Very high71 Ų7155.8 Ų55.838%0.3825%0.25SC..Hα-helixtrans-60.1-39.1179.2-172.332.7000111.5L158 Q164 R165 L166L158-N162 PolarHBondContact O-N 2.75Å; N162-Q164 PolarHBondContact O-N 3.01Å; N162-R165 WeakPolarHBondContact O-CB 3.47Å; N162-R165 PolarHBondContact O-N 3.23Å; N162-R165 PolarHBondContact OD1-NE 3.4Å; N162-R165 PolarHBondContact OD1-NH2 3.39Å; N162-L166 WeakPolarHBondContact O-CG 3.25Å; N162-L166 PolarHBondContact O-N 3.09Å; N162-L166 VanDerWaalsContact O-N 3.09Å
163G94Very high94.3Very high12 Ų1253 Ų5312%0.12424%0.235CC..Hα-helixtrans-66.1-30.5175.900000114.9K12 K159 K160 V161K12-G163 WeakPolarHBondContact CE-O 3.25Å; K12-G163 PolarHBondContact NZ-O 3.08Å; K12-G163 VanDerWaalsContact NZ-O 3.1Å; K159-G163 PolarHBondContact O-N 3.14Å; K160-G163 CarbonylContact O-C 3.56Å; K160-G163 PolarHBondContact O-N 3.27Å; V161-G163 VanDerWaalsContact C-N 3.25Å; V161-G163 PolarHBondContact O-N 3.14Å
164Q95.4Very high93.7Very high28 Ų2854.4 Ų54.413%0.13124%0.236CC..Hα-helixtrans-82-36.3174.4-62.5-65.3-800111.3K160 V161 N162 L166 D167 F168 F190K160-Q164 HydrophobicContact CG-CG 4.49Å; K160-Q164 WeakPolarHBondContact O-CG 3.43Å; K160-Q164 PolarHBondContact O-N 3.07Å; V161-Q164 PolarHBondContact O-N 3Å; N162-Q164 PolarHBondContact O-N 3.01Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; Q164-L166 PolarHBondContact O-N 3.16Å; Q164-D167 PolarHBondContact O-N 3.2Å; Q164-D167 VanDerWaalsContact O-N 3.14Å; Q164-F168 PolarHBondContact O-N 3.25Å; Q164-F190 HydrophobicContact CB-CB 4.03Å; Q164-F190 HydrophobicContact CB-CD2 4.41Å
165R95.3Very high92.4Very high40 Ų4062.6 Ų62.615%0.15127%0.267CS..Hα-helixtrans-53.6-50.8172.9-171.4-171.475100.39.5111.1E19 T27 V161 N162 D167 F168 D169 F190E19-R165 IonicContact OE1-NH2 3.44Å; E19-R165 IonicContact OE2-CZ 2.6Å; E19-R165 IonicContact OE2-NH1 3.94Å; E19-R165 PolarHBondContact OE2-NH1 3.36Å; E19-R165 IonicContact OE2-NH2 3.48Å; E19-R165 PolarHBondContact OE2-NH2 3.31Å; T27-R165 WeakPolarHBondContact O-CD 3.48Å; T27-R165 PolarHBondContact O-NH1 2.95Å; V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 3.4Å; N162-R165 WeakPolarHBondContact O-CB 3.47Å; N162-R165 PolarHBondContact O-N 3.23Å; N162-R165 PolarHBondContact OD1-NE 3.4Å; N162-R165 PolarHBondContact OD1-NH2 3.39Å; R165-D167 PolarHBondContact O-N 3.33Å; R165-F168 PolarHBondContact O-N 3Å; R165-D169 PolarHBondContact O-N 3.25Å; R165-F190 HydrophobicContact CB-CD2 3.86Å; R165-F190 HydrophobicContact CB-CE2 3.68Å; R165-F190 HydrophobicContact CG-CE2 4.01Å; R165-F190 HydrophobicContact CG-CZ 4.37Å
166L92.9Very high91.4Very high9 Ų959.2 Ų59.25%0.04728%0.275CS..Hα-helixtrans-62.3-37.7177.2-66.5170.3000112.9K12 Q15 L16 N162 Q164 Y170K12-L166 HydrophobicContact CB-CB 4.31Å; K12-L166 HydrophobicContact CG-CB 4.3Å; Q15-L166 HydrophobicContact CB-CD2 4.4Å; Q15-L166 HydrophobicContact CG-CB 4.29Å; Q15-L166 HydrophobicContact CG-CD2 3.82Å; Q15-L166 WeakPolarHBondContact CG-O 3.47Å; L16-L166 HydrophobicContact CB-CD1 4.21Å; L16-L166 HydrophobicContact CB-CD2 4.15Å; L16-L166 HydrophobicContact CD1-CD1 4.17Å; N162-L166 WeakPolarHBondContact O-CG 3.25Å; N162-L166 PolarHBondContact O-N 3.09Å; N162-L166 VanDerWaalsContact O-N 3.09Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; Q164-L166 PolarHBondContact O-N 3.16Å; L166-Y170 VanDerWaalsContact O-CB 3.28Å; L166-Y170 WeakPolarHBondContact O-CB 3.42Å; L166-Y170 PolarHBondContact O-N 3.13Å
167D92.8Very high90.6Very high6 Ų661.6 Ų61.63%0.03229%0.288CS..Hα-helixtrans-66.8-41.4176.6-170.857.7000111.3K8 Q164 R165 K171K8-D167 WeakPolarHBondContact CE-OD1 3.42Å; K8-D167 VanDerWaalsContact CE-OD2 3.24Å; K8-D167 WeakPolarHBondContact CE-OD2 3.49Å; K8-D167 IonicContact NZ-OD1 3.55Å; K8-D167 IonicContact NZ-OD2 3.66Å; K8-D167 PolarHBondContact NZ-OD2 3.12Å; K8-D167 VanDerWaalsContact NZ-OD2 3.08Å; Q164-D167 PolarHBondContact O-N 3.2Å; Q164-D167 VanDerWaalsContact O-N 3.14Å; R165-D167 PolarHBondContact O-N 3.33Å; D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 3.46Å; D167-K171 IonicContact OD2-NZ 3.05Å; D167-K171 PolarHBondContact OD2-NZ 2.99Å
168F93.8Very high89.9Confident10 Ų1063 Ų634%0.04430%0.297CS..Hα-helixtrans-63.8-50.8175.5170.3-108.7000111.3T27 Q164 R165 Y170 K171 K172 V183 A186 W187T27-F168 WeakPolarHBondContact OG1-CE1 3.45Å; Q164-F168 PolarHBondContact O-N 3.25Å; R165-F168 PolarHBondContact O-N 3Å; F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 2.97Å; F168-K171 PolarHBondContact O-N 3.41Å; F168-K172 HydrophobicContact CE1-CD 3.82Å; F168-K172 HydrophobicContact CE2-CB 4.48Å; F168-K172 HydrophobicContact CZ-CB 4.38Å; F168-K172 HydrophobicContact CZ-CD 3.77Å; F168-K172 HydrophobicContact CZ-CG 4.39Å; F168-K172 VanDerWaalsContact O-CB 3.27Å; F168-K172 WeakPolarHBondContact O-CB 3.28Å; F168-K172 PolarHBondContact O-N 3.38Å; F168-V183 HydrophobicContact CD2-CG1 4.49Å; F168-V183 HydrophobicContact CE2-CG1 4.04Å; F168-A186 HydrophobicContact CB-CB 4.3Å; F168-A186 HydrophobicContact CD2-CB 4.39Å; F168-W187 AromaticContact CD1-CE3 3.89Å; F168-W187 HydrophobicContact CD1-CE3 3.89Å; F168-W187 HydrophobicContact CD1-CZ3 4.17Å; F168-W187 HydrophobicContact CD2-CB 3.91Å; F168-W187 AromaticContact CD2-CE3 3.99Å; F168-W187 HydrophobicContact CD2-CE3 3.99Å; F168-W187 AromaticContact CE1-CE3 3.4Å; F168-W187 HydrophobicContact CE1-CE3 3.4Å; F168-W187 AromaticContact CE1-CZ3 3.49Å; F168-W187 HydrophobicContact CE1-CZ3 3.49Å; F168-W187 VanDerWaalsContact CE1-CZ3 3.49Å; F168-W187 HydrophobicContact CE2-CB 3.81Å; F168-W187 HydrophobicContact CE2-CD2 4.2Å; F168-W187 AromaticContact CE2-CE3 3.52Å; F168-W187 HydrophobicContact CE2-CE3 3.52Å; F168-W187 HydrophobicContact CE2-CG 4.38Å; F168-W187 HydrophobicContact CE2-CZ3 4.39Å; F168-W187 HydrophobicContact CG-CE3 4.15Å; F168-W187 HydrophobicContact CZ-CD2 4.18Å; F168-W187 AromaticContact CZ-CE3 3.19Å; F168-W187 HydrophobicContact CZ-CE3 3.19Å; F168-W187 AromaticContact CZ-CZ3 3.62Å; F168-W187 HydrophobicContact CZ-CZ3 3.62Å
169D92.3Very high89.6Confident5 Ų565.1 Ų65.13%0.02731%0.314CS..Hα-helixtrans-62.8-39.8-177.8-70.6-26.8000111.9Q15 G26 T27 R165 K172 R173Q15-D169 HydrophobicContact CG-CB 4.28Å; G26-D169 WeakPolarHBondContact CA-OD2 3.48Å; T27-D169 WeakPolarHBondContact CB-OD1 3.23Å; T27-D169 PolarHBondContact N-OD1 2.87Å; T27-D169 PolarHBondContact N-OD2 3.24Å; T27-D169 PolarHBondContact OG1-OD1 3.46Å; R165-D169 PolarHBondContact O-N 3.25Å; D169-K172 PolarHBondContact O-N 2.89Å; D169-R173 WeakPolarHBondContact O-CG 3.4Å; D169-R173 PolarHBondContact O-N 3.23Å
170Y91Very high89.3Confident24 Ų2462.7 Ų62.79%0.09431%0.314CS..Hα-helixtrans-57.9-49.8173.5178.2-93.7000112.1H11 Q15 L166 F168 R174H11-Y170 HydrophobicContact CB-CD1 4Å; H11-Y170 HydrophobicContact CB-CD2 4.09Å; H11-Y170 HydrophobicContact CB-CE1 3.9Å; H11-Y170 HydrophobicContact CB-CE2 3.97Å; H11-Y170 HydrophobicContact CB-CG 4.1Å; H11-Y170 AromaticContact CD2-CE1 3.98Å; H11-Y170 PolarHBondContact CE1-OH 2.75Å; H11-Y170 AromaticContact CG-CE1 3.71Å; H11-Y170 AromaticContact CG-CZ 3.59Å; H11-Y170 AromaticContact ND1-CZ 3.51Å; H11-Y170 PolarHBondContact ND1-OH 3.37Å; Q15-Y170 HydrophobicContact CB-CD2 4.41Å; L166-Y170 VanDerWaalsContact O-CB 3.28Å; L166-Y170 WeakPolarHBondContact O-CB 3.42Å; L166-Y170 PolarHBondContact O-N 3.13Å; F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 2.97Å; Y170-R174 PolarHBondContact O-N 2.97Å; Y170-R174 PolarHBondContact OH-NE 3.11Å; Y170-R174 PolarHBondContact OH-NH1 3.11Å
171K91Very high89.1Confident38 Ų3865.7 Ų65.717%0.16533%0.329CS..Hα-helixtrans-69.3-36.7-179.7-71.6174.3176.2175.20112.1D167 F168 R174 V178 V183 A186D167-K171 WeakPolarHBondContact O-CG 3.43Å; D167-K171 PolarHBondContact O-N 3.46Å; D167-K171 IonicContact OD2-NZ 3.05Å; D167-K171 PolarHBondContact OD2-NZ 2.99Å; F168-K171 PolarHBondContact O-N 3.41Å; K171-R174 CarbonylContact O-C 3.57Å; K171-R174 PolarHBondContact O-N 2.87Å; K171-V178 HydrophobicContact CB-CG1 4.38Å; K171-V178 HydrophobicContact CG-CG1 4.26Å; K171-V183 HydrophobicContact CB-CG2 4.16Å; K171-A186 HydrophobicContact CD-CB 3.76Å
172K88.7Confident88.9Confident96 Ų9667 Ų6742%0.41734%0.339SS..Hα-helixtrans-61.8-41.6176.8-177.3-175.5178.8-177.50111.6F168 D169 R174 R175F168-K172 HydrophobicContact CE1-CD 3.82Å; F168-K172 HydrophobicContact CE2-CB 4.48Å; F168-K172 HydrophobicContact CZ-CB 4.38Å; F168-K172 HydrophobicContact CZ-CD 3.77Å; F168-K172 HydrophobicContact CZ-CG 4.39Å; F168-K172 VanDerWaalsContact O-CB 3.27Å; F168-K172 WeakPolarHBondContact O-CB 3.28Å; F168-K172 PolarHBondContact O-N 3.38Å; D169-K172 PolarHBondContact O-N 2.89Å; K172-R174 VanDerWaalsContact C-N 3.26Å; K172-R174 PolarHBondContact O-N 2.74Å; K172-R175 WeakPolarHBondContact O-CD 3.31Å; K172-R175 VanDerWaalsContact O-CG 3.23Å; K172-R175 WeakPolarHBondContact O-CG 3.35Å; K172-R175 PolarHBondContact O-N 2.92Å
173R87.1Confident88.8Confident93 Ų9364 Ų6435%0.35132%0.323SS..Hα-helixtrans-70.6-20.7177.6-71.2177.1-163.8-178.10.6113.8E19 A24 E25 D169E19-R173 IonicContact OE1-NH2 3.74Å; A24-R173 VanDerWaalsContact CB-NH2 3.33Å; A24-R173 PolarHBondContact O-NH2 2.86Å; E25-R173 PolarHBondContact O-NH2 3.45Å; D169-R173 WeakPolarHBondContact O-CG 3.4Å; D169-R173 PolarHBondContact O-N 3.23Å
174R84.6Confident88.7Confident120 Ų12072.1 Ų72.145%0.45335%0.35SS..THydrogen-bonded Turntrans-101.926.9178.5-68.7-171.2168.2-155.1-2.2113.1Y170 K171 K172 G176 K177 V178Y170-R174 PolarHBondContact O-N 2.97Å; Y170-R174 PolarHBondContact OH-NE 3.11Å; Y170-R174 PolarHBondContact OH-NH1 3.11Å; K171-R174 CarbonylContact O-C 3.57Å; K171-R174 PolarHBondContact O-N 2.87Å; K172-R174 VanDerWaalsContact C-N 3.26Å; K172-R174 PolarHBondContact O-N 2.74Å; R174-G176 PolarHBondContact O-N 3.46Å; R174-G176 VanDerWaalsContact O-N 3.16Å; R174-K177 PolarHBondContact O-N 3.46Å; R174-V178 HydrophobicContact CB-CG2 3.97Å; R174-V178 PolarHBondContact O-N 3.35Å
175R70.8Confident88.7Confident178 Ų17875.6 Ų75.667%0.67237%0.369SS*.BIsolated β-bridgetrans-51.9121.2170.4-83.3173.9-178.8-123.11.7109K172K172-R175 WeakPolarHBondContact O-CD 3.31Å; K172-R175 VanDerWaalsContact O-CG 3.23Å; K172-R175 WeakPolarHBondContact O-CG 3.35Å; K172-R175 PolarHBondContact O-N 2.92Å
176G73.8Confident88.6Confident81 Ų8173.7 Ų73.784%0.83536%0.362SS*.THydrogen-bonded Turntrans109.2-27.3-172.200000115R174R174-G176 PolarHBondContact O-N 3.46Å; R174-G176 VanDerWaalsContact O-N 3.16Å
177K81.3Confident88.7Confident185 Ų18578.1 Ų78.180%0.80438%0.378SS*.THydrogen-bonded Turntrans-105.5-10.8172.4-65.5-179.7-179.4177.90113.1R174R174-K177 PolarHBondContact O-N 3.46Å
178V83.7Confident88.9Confident37 Ų3781.2 Ų81.222%0.22439%0.394CS..BIsolated β-bridgetrans-126.1138.1-179.7-178.20000108.1K171 R174 V183K171-V178 HydrophobicContact CB-CG1 4.38Å; K171-V178 HydrophobicContact CG-CG1 4.26Å; R174-V178 HydrophobicContact CB-CG2 3.97Å; R174-V178 PolarHBondContact O-N 3.35Å; V178-V183 HydrophobicContact CG1-CG2 4.28Å
179S90.5Very high89Confident71 Ų7186 Ų8650%0.49742%0.415SS..  trans-63145.4179.969.30000112E181 S182 V183S179-E181 PolarHBondContact O-N 2.69Å; S179-S182 WeakPolarHBondContact O-CB 3.48Å; S179-S182 PolarHBondContact O-N 3.45Å; S179-S182 VanDerWaalsContact OG-CB 3.3Å; S179-S182 WeakPolarHBondContact OG-CB 3.34Å; S179-S182 PolarHBondContact OG-N 2.98Å; S179-V183 PolarHBondContact O-N 2.96Å
180T89.6Confident89.2Confident121 Ų12186 Ų8674%0.74242%0.415SS*.Hα-helixtrans-58.1-37.7178.6-52.40000111.9S182 V183 R184T180-S182 PolarHBondContact O-N 2.89Å; T180-V183 PolarHBondContact O-N 3.15Å; T180-R184 PolarHBondContact O-N 3.13Å
181E92.1Very high89.5Confident151 Ų15187.4 Ų87.471%0.70642%0.423SS*.Hα-helixtrans-62.1-40.4174.8-68.1178159.400112.6S179 V183 R184 L185S179-E181 PolarHBondContact O-N 2.69Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 3.32Å; E181-R184 PolarHBondContact O-N 3.38Å; E181-L185 WeakPolarHBondContact O-CB 3.09Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.77Å
182S91.5Very high89.8Confident32 Ų3290 Ų9022%0.22444%0.442CS..Hα-helixtrans-67.3-32.4178.7-179.80000112.7S179 T180 A186S179-S182 WeakPolarHBondContact O-CB 3.48Å; S179-S182 PolarHBondContact O-N 3.45Å; S179-S182 VanDerWaalsContact OG-CB 3.3Å; S179-S182 WeakPolarHBondContact OG-CB 3.34Å; S179-S182 PolarHBondContact OG-N 2.98Å; T180-S182 PolarHBondContact O-N 2.89Å; S182-A186 WeakPolarHBondContact O-CB 3.22Å; S182-A186 PolarHBondContact O-N 3.5Å
183V91.9Very high90.2Very high7 Ų785.7 Ų85.74%0.04242%0.424CS..Hα-helixtrans-68.8-44.8172.2-179.10000110.2F168 K171 V178 S179 T180 E181 A186 W187F168-V183 HydrophobicContact CD2-CG1 4.49Å; F168-V183 HydrophobicContact CE2-CG1 4.04Å; K171-V183 HydrophobicContact CB-CG2 4.16Å; V178-V183 HydrophobicContact CG1-CG2 4.28Å; S179-V183 PolarHBondContact O-N 2.96Å; T180-V183 PolarHBondContact O-N 3.15Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 3.32Å; V183-A186 PolarHBondContact O-N 3.5Å; V183-W187 PolarHBondContact O-N 2.98Å
184R93.3Very high90.7Very high183 Ų18382.7 Ų82.769%0.69141%0.414SS*.Hα-helixtrans-60.9-47.3177.3-171.5178.1178.2174.21111.8T180 E181 A186 W187 D188T180-R184 PolarHBondContact O-N 3.13Å; E181-R184 PolarHBondContact O-N 3.38Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 2.93Å; R184-W187 VanDerWaalsContact O-CB 3.31Å; R184-W187 WeakPolarHBondContact O-CB 3.42Å; R184-W187 PolarHBondContact O-N 2.89Å; R184-W187 VanDerWaalsContact O-N 3.08Å; R184-D188 PolarHBondContact O-N 3.07Å
185L95Very high91.3Very high101 Ų10180.6 Ų80.653%0.52941%0.409SS..Hα-helixtrans-61.9-31.1176.2-71.5171.5000113.4E181 K189E181-L185 WeakPolarHBondContact O-CB 3.09Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.77Å; L185-K189 WeakPolarHBondContact O-CB 3.14Å; L185-K189 VanDerWaalsContact O-CG 3.26Å; L185-K189 WeakPolarHBondContact O-CG 3.44Å; L185-K189 PolarHBondContact O-N 2.71Å
186A93.6Very high92.5Very high0 Ų075.9 Ų75.90%040%0.397CS..Hα-helixtrans-72.4-37.8175.100000111.7F168 K171 S182 V183 R184 F190F168-A186 HydrophobicContact CB-CB 4.3Å; F168-A186 HydrophobicContact CD2-CB 4.39Å; K171-A186 HydrophobicContact CD-CB 3.76Å; S182-A186 WeakPolarHBondContact O-CB 3.22Å; S182-A186 PolarHBondContact O-N 3.5Å; V183-A186 PolarHBondContact O-N 3.5Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 2.93Å; A186-F190 WeakPolarHBondContact O-CB 3.34Å; A186-F190 PolarHBondContact O-N 2.82Å
187W94.7Very high93.6Very high101 Ų10172 Ų7238%0.38336%0.357SS..Hα-helixtrans-61.7-50.1173.1178.8-99.7000111.9T27 F168 V183 R184 K189 F190 M191T27-W187 HydrophobicContact CG2-CZ3 4.35Å; F168-W187 AromaticContact CD1-CE3 3.89Å; F168-W187 HydrophobicContact CD1-CE3 3.89Å; F168-W187 HydrophobicContact CD1-CZ3 4.17Å; F168-W187 HydrophobicContact CD2-CB 3.91Å; F168-W187 AromaticContact CD2-CE3 3.99Å; F168-W187 HydrophobicContact CD2-CE3 3.99Å; F168-W187 AromaticContact CE1-CE3 3.4Å; F168-W187 HydrophobicContact CE1-CE3 3.4Å; F168-W187 AromaticContact CE1-CZ3 3.49Å; F168-W187 HydrophobicContact CE1-CZ3 3.49Å; F168-W187 VanDerWaalsContact CE1-CZ3 3.49Å; F168-W187 HydrophobicContact CE2-CB 3.81Å; F168-W187 HydrophobicContact CE2-CD2 4.2Å; F168-W187 AromaticContact CE2-CE3 3.52Å; F168-W187 HydrophobicContact CE2-CE3 3.52Å; F168-W187 HydrophobicContact CE2-CG 4.38Å; F168-W187 HydrophobicContact CE2-CZ3 4.39Å; F168-W187 HydrophobicContact CG-CE3 4.15Å; F168-W187 HydrophobicContact CZ-CD2 4.18Å; F168-W187 AromaticContact CZ-CE3 3.19Å; F168-W187 HydrophobicContact CZ-CE3 3.19Å; F168-W187 AromaticContact CZ-CZ3 3.62Å; F168-W187 HydrophobicContact CZ-CZ3 3.62Å; V183-W187 PolarHBondContact O-N 2.98Å; R184-W187 VanDerWaalsContact O-CB 3.31Å; R184-W187 WeakPolarHBondContact O-CB 3.42Å; R184-W187 PolarHBondContact O-N 2.89Å; R184-W187 VanDerWaalsContact O-N 3.08Å; W187-K189 VanDerWaalsContact C-N 3.26Å; W187-K189 PolarHBondContact O-N 3.46Å; W187-F190 HydrophobicContact CE3-CD1 4.13Å; W187-F190 HydrophobicContact CZ3-CD1 4.16Å; W187-F190 HydrophobicContact CZ3-CE1 4.25Å; W187-F190 WeakPolarHBondContact O-CA 3.17Å; W187-F190 WeakPolarHBondContact O-CB 3.33Å; W187-F190 PolarHBondContact O-N 3.41Å; W187-M191 HydrophobicContact CD2-CG 4.19Å; W187-M191 HydrophobicContact CG-CG 4.46Å; W187-M191 HydrophobicContact CH2-SD 4.3Å; W187-M191 HydrophobicContact CZ2-CG 4.06Å; W187-M191 HydrophobicContact CZ2-SD 3.88Å; W187-M191 PolarHBondContact O-N 3.45Å
188D96.4Very high94.4Very high71 Ų7166 Ų6638%0.3833%0.331SS..Hα-helixtrans-60.3-39.6-179.2-61.6-22.2000111.2R184 T192R184-D188 PolarHBondContact O-N 3.07Å; D188-T192 VanDerWaalsContact O-CB 3.3Å; D188-T192 WeakPolarHBondContact O-CB 3.37Å; D188-T192 PolarHBondContact O-N 2.72Å; D188-T192 PolarHBondContact O-OG1 3.07Å
189K96.8Very high95Very high112 Ų11271.6 Ų71.649%0.48735%0.349SS..Hα-helixtrans-65.4-39.3174.5-76175-177177.10112.9L185 W187 S193L185-K189 WeakPolarHBondContact O-CB 3.14Å; L185-K189 VanDerWaalsContact O-CG 3.26Å; L185-K189 WeakPolarHBondContact O-CG 3.44Å; L185-K189 PolarHBondContact O-N 2.71Å; W187-K189 VanDerWaalsContact C-N 3.26Å; W187-K189 PolarHBondContact O-N 3.46Å; K189-S193 WeakPolarHBondContact O-CB 3.47Å; K189-S193 PolarHBondContact O-N 3.25Å; K189-S193 VanDerWaalsContact O-N 3.13Å; K189-S193 PolarHBondContact O-OG 3.22Å
190F97Very high95.3Very high4 Ų469.9 Ų69.92%0.01834%0.336CS..Hα-helixtrans-64-53.6175.2166-114.8000110.6T27 L29 V161 Q164 R165 A186 W187 T192 S193 K194T27-F190 HydrophobicContact CG2-CE1 3.97Å; T27-F190 HydrophobicContact CG2-CZ 4.23Å; L29-F190 HydrophobicContact CD2-CE2 4.2Å; L29-F190 HydrophobicContact CD2-CZ 3.87Å; V161-F190 HydrophobicContact CG1-CD2 4.48Å; V161-F190 HydrophobicContact CG1-CE2 3.97Å; Q164-F190 HydrophobicContact CB-CB 4.03Å; Q164-F190 HydrophobicContact CB-CD2 4.41Å; R165-F190 HydrophobicContact CB-CD2 3.86Å; R165-F190 HydrophobicContact CB-CE2 3.68Å; R165-F190 HydrophobicContact CG-CE2 4.01Å; R165-F190 HydrophobicContact CG-CZ 4.37Å; A186-F190 WeakPolarHBondContact O-CB 3.34Å; A186-F190 PolarHBondContact O-N 2.82Å; W187-F190 HydrophobicContact CE3-CD1 4.13Å; W187-F190 HydrophobicContact CZ3-CD1 4.16Å; W187-F190 HydrophobicContact CZ3-CE1 4.25Å; W187-F190 WeakPolarHBondContact O-CA 3.17Å; W187-F190 WeakPolarHBondContact O-CB 3.33Å; W187-F190 PolarHBondContact O-N 3.41Å; F190-T192 PolarHBondContact O-N 2.99Å; F190-S193 PolarHBondContact O-N 3.49Å; F190-S193 VanDerWaalsContact O-N 3.12Å; F190-S193 PolarHBondContact O-OG 3.24Å; F190-K194 WeakPolarHBondContact O-CB 3.49Å; F190-K194 PolarHBondContact O-N 3.4Å
191M96.4Very high95.7Very high53 Ų5364.1 Ų64.126%0.26130%0.301SS..Hα-helixtrans-58.8-47.9180-70.6-56.8-63.500112.2W187 S193 K194 E195W187-M191 HydrophobicContact CD2-CG 4.19Å; W187-M191 HydrophobicContact CG-CG 4.46Å; W187-M191 HydrophobicContact CH2-SD 4.3Å; W187-M191 HydrophobicContact CZ2-CG 4.06Å; W187-M191 HydrophobicContact CZ2-SD 3.88Å; W187-M191 PolarHBondContact O-N 3.45Å; M191-S193 VanDerWaalsContact C-N 3.28Å; M191-S193 PolarHBondContact O-N 3.26Å; M191-K194 WeakPolarHBondContact O-CB 3.48Å; M191-K194 PolarHBondContact O-N 3.16Å; M191-E195 PolarHBondContact O-N 3.5Å
192T97.3Very high95.8Very high93 Ų9362.5 Ų62.557%0.57129%0.292SS*.Hα-helixtrans-58.8-40.9176.9-550000111.7D188 F190 L196D188-T192 VanDerWaalsContact O-CB 3.3Å; D188-T192 WeakPolarHBondContact O-CB 3.37Å; D188-T192 PolarHBondContact O-N 2.72Å; D188-T192 PolarHBondContact O-OG1 3.07Å; F190-T192 PolarHBondContact O-N 2.99Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 PolarHBondContact O-N 3.1Å
193S97.5Very high96Very high6 Ų665.4 Ų65.44%0.04231%0.308CS..Hα-helixtrans-69.1-35.2177.667.60000112.8V161 K189 F190 M191 A197V161-S193 VanDerWaalsContact CG2-C 3.45Å; V161-S193 WeakPolarHBondContact CG2-O 3.44Å; K189-S193 WeakPolarHBondContact O-CB 3.47Å; K189-S193 PolarHBondContact O-N 3.25Å; K189-S193 VanDerWaalsContact O-N 3.13Å; K189-S193 PolarHBondContact O-OG 3.22Å; F190-S193 PolarHBondContact O-N 3.49Å; F190-S193 VanDerWaalsContact O-N 3.12Å; F190-S193 PolarHBondContact O-OG 3.24Å; M191-S193 VanDerWaalsContact C-N 3.28Å; M191-S193 PolarHBondContact O-N 3.26Å; S193-A197 PolarHBondContact O-N 3.28Å; S193-A197 VanDerWaalsContact O-N 3.12Å
194K96.9Very high96.1Very high30 Ų3065.6 Ų65.613%0.1331%0.309CS..Hα-helixtrans-67-53.2178.8-176.2-161.5167.1-156.40110.1L29 D30 F33 V161 F190 M191 L196 A197 E198L29-K194 HydrophobicContact CD2-CD 4.17Å; L29-K194 HydrophobicContact CD2-CG 4.38Å; D30-K194 WeakPolarHBondContact OD2-CE 3.27Å; D30-K194 IonicContact OD2-NZ 3.08Å; D30-K194 PolarHBondContact OD2-NZ 3.3Å; F33-K194 HydrophobicContact CD2-CG 3.94Å; F33-K194 HydrophobicContact CE2-CG 3.74Å; F33-K194 HydrophobicContact CZ-CG 4.45Å; V161-K194 HydrophobicContact CG1-CB 4.43Å; V161-K194 HydrophobicContact CG2-CB 4.48Å; F190-K194 WeakPolarHBondContact O-CB 3.49Å; F190-K194 PolarHBondContact O-N 3.4Å; M191-K194 WeakPolarHBondContact O-CB 3.48Å; M191-K194 PolarHBondContact O-N 3.16Å; K194-L196 PolarHBondContact O-N 2.88Å; K194-A197 PolarHBondContact O-N 3.32Å; K194-A197 VanDerWaalsContact O-N 3.09Å; K194-E198 VanDerWaalsContact O-CB 3.31Å; K194-E198 WeakPolarHBondContact O-CB 3.39Å; K194-E198 PolarHBondContact O-N 3.04Å
195E96.3Very high96Very high76 Ų7659.1 Ų59.136%0.35529%0.288SS..Hα-helixtrans-56.1-39.1177.7-73.2179.3-154.600112.2M191 R199M191-E195 PolarHBondContact O-N 3.5Å; E195-R199 WeakPolarHBondContact O-CB 3.49Å; E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.4Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 IonicContact OE2-CZ 3.86Å; E195-R199 IonicContact OE2-NH1 3.81Å; E195-R199 IonicContact OE2-NH2 3.21Å; E195-R199 PolarHBondContact OE2-NH2 3.05Å
196L97.2Very high95.9Very high78 Ų7859.5 Ų59.541%0.40829%0.29SS..Hα-helixtrans-65.8-45.6177.3-179.763.9000112Q157 T192 K194 E198 S200Q157-L196 HydrophobicContact CG-CD2 4.44Å; Q157-L196 HydrophobicContact CG-CG 4.48Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 PolarHBondContact O-N 3.1Å; K194-L196 PolarHBondContact O-N 2.88Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-S200 PolarHBondContact O-N 3.23Å; L196-S200 VanDerWaalsContact O-N 3.12Å; L196-S200 PolarHBondContact O-OG 3Å
197A97.7Very high95.6Very high0 Ų061.1 Ų61.10%030%0.302CS..Hα-helixtrans-63.7-42.7176.800000111.1F33 Q157 L158 V161 S193 K194 S200 M201F33-A197 HydrophobicContact CE2-CB 4.22Å; F33-A197 HydrophobicContact CZ-CB 4.29Å; Q157-A197 HydrophobicContact CB-CB 3.87Å; L158-A197 HydrophobicContact CD2-CB 4.37Å; V161-A197 HydrophobicContact CG2-CB 3.77Å; S193-A197 PolarHBondContact O-N 3.28Å; S193-A197 VanDerWaalsContact O-N 3.12Å; K194-A197 PolarHBondContact O-N 3.32Å; K194-A197 VanDerWaalsContact O-N 3.09Å; A197-S200 PolarHBondContact O-N 3.49Å; A197-M201 VanDerWaalsContact O-CG 3.32Å; A197-M201 WeakPolarHBondContact O-CG 3.3Å; A197-M201 PolarHBondContact O-N 2.9Å
198E97.3Very high94.9Very high58 Ų5861 Ų6127%0.27131%0.309SS..Hα-helixtrans-61.3-49.4179.8-165.8175.1167.200111.6F33 M36 K194 L196 S200 M201 F202F33-E198 HydrophobicContact CD2-CB 4.01Å; F33-E198 HydrophobicContact CD2-CG 4.11Å; F33-E198 HydrophobicContact CE2-CB 4.12Å; M36-E198 HydrophobicContact CE-CG 3.62Å; K194-E198 VanDerWaalsContact O-CB 3.31Å; K194-E198 WeakPolarHBondContact O-CB 3.39Å; K194-E198 PolarHBondContact O-N 3.04Å; L196-E198 VanDerWaalsContact C-N 3.33Å; E198-S200 VanDerWaalsContact C-N 3.33Å; E198-S200 PolarHBondContact O-N 3.4Å; E198-M201 PolarHBondContact O-N 3.29Å; E198-F202 WeakPolarHBondContact O-CB 3.14Å; E198-F202 PolarHBondContact O-N 3.4Å
199R96.8Very high94.4Very high156 Ų15663.3 Ų63.359%0.58933%0.325SS*.Hα-helixtrans-59.6-42.5175-73.7178.3-172.9131.413.3112.2E195 F202 V203E195-R199 WeakPolarHBondContact O-CB 3.49Å; E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.4Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 IonicContact OE2-CZ 3.86Å; E195-R199 IonicContact OE2-NH1 3.81Å; E195-R199 IonicContact OE2-NH2 3.21Å; E195-R199 PolarHBondContact OE2-NH2 3.05Å; R199-F202 PolarHBondContact O-N 3.35Å; R199-V203 WeakPolarHBondContact O-CG2 3.46Å; R199-V203 PolarHBondContact O-N 3.05Å
200S96.8Very high93.8Very high34 Ų3462.5 Ų62.524%0.23833%0.326CS..Hα-helixtrans-67.6-38.8178.7-68.10000112.6Q157 L196 A197 E198 L204Q157-S200 PolarHBondContact NE2-OG 3.39Å; Q157-S200 PolarHBondContact OE1-OG 3.01Å; L196-S200 PolarHBondContact O-N 3.23Å; L196-S200 VanDerWaalsContact O-N 3.12Å; L196-S200 PolarHBondContact O-OG 3Å; A197-S200 PolarHBondContact O-N 3.49Å; E198-S200 VanDerWaalsContact C-N 3.33Å; E198-S200 PolarHBondContact O-N 3.4Å; S200-L204 WeakPolarHBondContact O-CB 3.47Å; S200-L204 PolarHBondContact O-N 3.38Å
201M96.7Very high93.1Very high0 Ų064.2 Ų64.20%034%0.335CS..Hα-helixtrans-64.8-41.7172.5-69.7-171.4-64.400111.5F33 M36 E37 V40 I154 L158 A197 E198 L204 L205F33-M201 HydrophobicContact CD1-CE 4.45Å; F33-M201 HydrophobicContact CD2-CE 3.89Å; F33-M201 HydrophobicContact CE1-CE 4.18Å; F33-M201 HydrophobicContact CE2-CE 3.6Å; F33-M201 HydrophobicContact CG-CE 4.31Å; F33-M201 HydrophobicContact CZ-CE 3.76Å; M36-M201 HydrophobicContact CB-CB 4.24Å; M36-M201 HydrophobicContact CB-CE 4.05Å; M36-M201 HydrophobicContact CB-SD 4.12Å; M36-M201 HydrophobicContact SD-CB 4.44Å; E37-M201 HydrophobicContact CB-SD 4.23Å; V40-M201 HydrophobicContact CG2-CB 4.13Å; V40-M201 HydrophobicContact CG2-CG 3.95Å; V40-M201 HydrophobicContact CG2-SD 4.3Å; I154-M201 HydrophobicContact CG2-CG 3.69Å; I154-M201 HydrophobicContact CG2-SD 4.47Å; L158-M201 HydrophobicContact CD1-SD 4.39Å; L158-M201 HydrophobicContact CD2-CE 4.12Å; L158-M201 HydrophobicContact CD2-SD 3.93Å; A197-M201 VanDerWaalsContact O-CG 3.32Å; A197-M201 WeakPolarHBondContact O-CG 3.3Å; A197-M201 PolarHBondContact O-N 2.9Å; E198-M201 PolarHBondContact O-N 3.29Å; M201-L204 PolarHBondContact O-N 3.09Å; M201-L205 WeakPolarHBondContact O-CB 3.39Å; M201-L205 VanDerWaalsContact O-CG 3.23Å; M201-L205 WeakPolarHBondContact O-CG 3.43Å; M201-L205 PolarHBondContact O-N 3.24Å
202F95.7Very high93Very high117 Ų11766.6 Ų66.651%0.51335%0.348SS..Hα-helixtrans-60.9-53.3178.4179.4-90.8000111.9M36 E198 R199 L204 L205 D206M36-F202 HydrophobicContact SD-CB 4.45Å; E198-F202 WeakPolarHBondContact O-CB 3.14Å; E198-F202 PolarHBondContact O-N 3.4Å; R199-F202 PolarHBondContact O-N 3.35Å; F202-L204 PolarHBondContact O-N 2.78Å; F202-L205 PolarHBondContact O-N 3.49Å; F202-D206 HydrophobicContact CE1-CB 4.16Å; F202-D206 HydrophobicContact CZ-CB 4.35Å; F202-D206 WeakPolarHBondContact O-CB 3.33Å; F202-D206 PolarHBondContact O-N 3.05Å
203V94.7Very high92.9Very high93 Ų9363.8 Ų63.856%0.56434%0.337SS*.Hα-helixtrans-55-43.7-179.6168.20000111.3R199 S207R199-V203 WeakPolarHBondContact O-CG2 3.46Å; R199-V203 PolarHBondContact O-N 3.05Å; V203-S207 WeakPolarHBondContact O-CB 2.86Å; V203-S207 PolarHBondContact O-N 3.44Å; V203-S207 PolarHBondContact O-OG 3Å
204L93.4Very high92.8Very high12 Ų1264 Ų646%0.06334%0.338CS..Hα-helixtrans-62.8-44.4177.3168.277.9000112.8V40 M43 L146 M151 I154 S200 M201 F202 D206 S207V40-L204 HydrophobicContact CB-CD2 4.48Å; V40-L204 HydrophobicContact CG1-CD2 4.06Å; V40-L204 HydrophobicContact CG2-CD2 3.7Å; M43-L204 HydrophobicContact CE-CD1 3.69Å; M43-L204 HydrophobicContact CE-CD2 3.32Å; M43-L204 HydrophobicContact CE-CG 3.44Å; M43-L204 VanDerWaalsContact CE-CG 3.44Å; L146-L204 HydrophobicContact CD1-CD1 3.79Å; M151-L204 HydrophobicContact CE-CD1 3.44Å; M151-L204 VanDerWaalsContact CE-CD1 3.44Å; M151-L204 HydrophobicContact CE-CD2 3.11Å; M151-L204 HydrophobicContact CE-CG 3.83Å; M151-L204 HydrophobicContact SD-CD2 4.37Å; I154-L204 HydrophobicContact CD1-CB 4.08Å; I154-L204 HydrophobicContact CD1-CD2 3.55Å; I154-L204 HydrophobicContact CD1-CG 4.38Å; S200-L204 WeakPolarHBondContact O-CB 3.47Å; S200-L204 PolarHBondContact O-N 3.38Å; M201-L204 PolarHBondContact O-N 3.09Å; F202-L204 PolarHBondContact O-N 2.78Å; L204-D206 VanDerWaalsContact C-N 3.32Å; L204-S207 PolarHBondContact O-N 2.92Å
205L92.2Very high92.8Very high46 Ų4666.4 Ų66.424%0.24135%0.353CS..Hα-helixtrans-76.6-21.8-176.4-68.1174.8000112.7M36 T39 V40 M43 M201 F202M36-L205 HydrophobicContact CB-CD1 4.07Å; M36-L205 HydrophobicContact CG-CD1 3.85Å; T39-L205 HydrophobicContact CG2-CD1 4.45Å; T39-L205 HydrophobicContact CG2-CD2 3.69Å; V40-L205 HydrophobicContact CG2-CD1 4.16Å; V40-L205 HydrophobicContact CG2-CD2 4.16Å; V40-L205 HydrophobicContact CG2-CG 4.15Å; M43-L205 HydrophobicContact CE-CD2 4.22Å; M201-L205 WeakPolarHBondContact O-CB 3.39Å; M201-L205 VanDerWaalsContact O-CG 3.23Å; M201-L205 WeakPolarHBondContact O-CG 3.43Å; M201-L205 PolarHBondContact O-N 3.24Å; F202-L205 PolarHBondContact O-N 3.49Å
206D92Very high92.9Very high109 Ų10965.6 Ų65.658%0.58336%0.359SS*.Hα-helixtrans-86.3-13.4175.8-15956.2000112.1F202 L204 D208F202-D206 HydrophobicContact CE1-CB 4.16Å; F202-D206 HydrophobicContact CZ-CB 4.35Å; F202-D206 WeakPolarHBondContact O-CB 3.33Å; F202-D206 PolarHBondContact O-N 3.05Å; L204-D206 VanDerWaalsContact C-N 3.32Å; D206-D208 PolarHBondContact O-N 3.32Å
207S87.6Confident92.8Very high35 Ų3563.2 Ų63.225%0.24535%0.35CS..  trans-77.361.1177.8-90.80000113.1V203 L204 V209 D210 L211V203-S207 WeakPolarHBondContact O-CB 2.86Å; V203-S207 PolarHBondContact O-N 3.44Å; V203-S207 PolarHBondContact O-OG 3Å; L204-S207 PolarHBondContact O-N 2.92Å; S207-V209 PolarHBondContact O-N 3.22Å; S207-D210 WeakPolarHBondContact CB-OD2 3.41Å; S207-D210 PolarHBondContact O-N 2.87Å; S207-D210 PolarHBondContact OG-OD2 2.98Å; S207-L211 PolarHBondContact O-N 3.29Å
208D81.1Confident92.9Very high99 Ų9964.3 Ų64.353%0.52936%0.356SS..Hα-helixtrans-56.4-35.5178.2-81.5-22.5000112.8D206 D210 L211 I212D206-D208 PolarHBondContact O-N 3.32Å; D208-D210 PolarHBondContact O-N 3.28Å; D208-L211 PolarHBondContact O-N 3.47Å; D208-I212 HydrophobicContact CB-CD1 4.14Å; D208-I212 VanDerWaalsContact O-CB 3.28Å; D208-I212 WeakPolarHBondContact O-CB 3.5Å; D208-I212 VanDerWaalsContact O-CG1 3.25Å; D208-I212 WeakPolarHBondContact O-CG1 3.44Å; D208-I212 PolarHBondContact O-N 3.46Å
209V85.1Confident92.9Very high118 Ų11866.1 Ų66.172%0.71537%0.367SS*.Hα-helixtrans-64.2-41.6-179.5178.50000111.7S207 L211 G213S207-V209 PolarHBondContact O-N 3.22Å; V209-L211 VanDerWaalsContact C-N 3.26Å; V209-L211 PolarHBondContact O-N 2.98Å; V209-G213 WeakPolarHBondContact O-CA 3.48Å; V209-G213 PolarHBondContact O-N 3.38Å
210D83.4Confident93Very high96 Ų9660.9 Ų60.951%0.51336%0.357SS..Hα-helixtrans-72.2-24.7-178.5-61.5-42.3000111.9S207 D208 P214S207-D210 WeakPolarHBondContact CB-OD2 3.41Å; S207-D210 PolarHBondContact O-N 2.87Å; S207-D210 PolarHBondContact OG-OD2 2.98Å; D208-D210 PolarHBondContact O-N 3.28Å; D210-P214 WeakPolarHBondContact O-CD 3.31Å; D210-P214 WeakPolarHBondContact O-CG 3.44Å
211L83Confident93Very high40 Ų4060.1 Ų60.121%0.20935%0.353CS..Hα-helixtrans-88.6-43.2178.8-62176.5000112.4M43 L146 S207 D208 V209M43-L211 HydrophobicContact SD-CD1 3.96Å; M43-L211 HydrophobicContact SD-CD2 3.63Å; M43-L211 HydrophobicContact SD-CG 4.48Å; L146-L211 HydrophobicContact CD2-CD2 3.96Å; S207-L211 PolarHBondContact O-N 3.29Å; D208-L211 PolarHBondContact O-N 3.47Å; V209-L211 VanDerWaalsContact C-N 3.26Å; V209-L211 PolarHBondContact O-N 2.98Å
212I93.8Very high93.1Very high102 Ų10262 Ų6252%0.52336%0.362SS..Hα-helixtrans-82.1-34.8-176.9-61.9170.9000111.3D208 L215 A216D208-I212 HydrophobicContact CB-CD1 4.14Å; D208-I212 VanDerWaalsContact O-CB 3.28Å; D208-I212 WeakPolarHBondContact O-CB 3.5Å; D208-I212 VanDerWaalsContact O-CG1 3.25Å; D208-I212 WeakPolarHBondContact O-CG1 3.44Å; D208-I212 PolarHBondContact O-N 3.46Å; I212-L215 WeakPolarHBondContact O-CB 3.45Å; I212-L215 PolarHBondContact O-N 2.9Å; I212-L215 VanDerWaalsContact O-N 3.12Å; I212-A216 PolarHBondContact O-N 2.88Å
213G95.4Very high93.3Very high34 Ų3460.4 Ų60.435%0.35136%0.359SS..Hα-helixtrans-53.2-51.7-177.800000113.8V209 L215 A216 A217V209-G213 WeakPolarHBondContact O-CA 3.48Å; V209-G213 PolarHBondContact O-N 3.38Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 3.5Å; G213-A216 PolarHBondContact O-N 3.39Å; G213-A217 PolarHBondContact O-N 2.89Å
214P95.8Very high93.4Very high10 Ų1060.8 Ų60.87%0.06536%0.357CS..Hα-helixtrans-57.6-42.9175.6-27.736.7000112.9F139 P142 L143 D210 A216 A217 L218F139-P214 HydrophobicContact CD2-CB 3.71Å; F139-P214 VanDerWaalsContact CD2-O 3.28Å; F139-P214 WeakPolarHBondContact CD2-O 3.23Å; F139-P214 HydrophobicContact CE2-CB 4.22Å; P142-P214 HydrophobicContact CB-CG 4.36Å; L143-P214 HydrophobicContact CD2-CB 3.98Å; L143-P214 HydrophobicContact CD2-CG 3.91Å; L143-P214 HydrophobicContact CG-CB 4.28Å; D210-P214 WeakPolarHBondContact O-CD 3.31Å; D210-P214 WeakPolarHBondContact O-CG 3.44Å; P214-A216 PolarHBondContact O-N 3.48Å; P214-A217 PolarHBondContact O-N 3.41Å; P214-L218 PolarHBondContact O-N 3.24Å
215L97.1Very high93.6Very high82 Ų8261.4 Ų61.443%0.42936%0.36SS..Hα-helixtrans-62.1-43.8179.2-67.2170.8000111.6F139 I212 G213 A217 L218 I219F139-L215 HydrophobicContact CE2-CD2 3.99Å; I212-L215 WeakPolarHBondContact O-CB 3.45Å; I212-L215 PolarHBondContact O-N 2.9Å; I212-L215 VanDerWaalsContact O-N 3.12Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 3.5Å; L215-A217 VanDerWaalsContact C-N 3.31Å; L215-A217 PolarHBondContact O-N 2.9Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 3.01Å; L215-I219 PolarHBondContact O-N 2.99Å
216A97.3Very high93.9Very high59 Ų5964.7 Ų64.749%0.48837%0.374SS..Hα-helixtrans-61.4-41.7174.800000111.5I212 G213 P214 L218 I219 A220I212-A216 PolarHBondContact O-N 2.88Å; G213-A216 PolarHBondContact O-N 3.39Å; P214-A216 PolarHBondContact O-N 3.48Å; A216-L218 PolarHBondContact O-N 3.3Å; A216-I219 PolarHBondContact O-N 3.04Å; A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.43Å
217A97.1Very high94.2Very high28 Ų2866.3 Ų66.323%0.23137%0.371CS..Hα-helixtrans-65.7-36.4177.900000113.1G213 P214 L215 A220 A221G213-A217 PolarHBondContact O-N 2.89Å; P214-A217 PolarHBondContact O-N 3.41Å; L215-A217 VanDerWaalsContact C-N 3.31Å; L215-A217 PolarHBondContact O-N 2.9Å; A217-A220 PolarHBondContact O-N 3.37Å; A217-A221 WeakPolarHBondContact O-CB 3.47Å; A217-A221 PolarHBondContact O-N 3.42Å
218L98.1Very high94.7Very high22 Ų2267.5 Ų67.512%0.11538%0.375CS..Hα-helixtrans-59.3-50.8173.6173.162.5000110.9T54 I135 F139 P214 L215 A216 A221 L222T54-L218 HydrophobicContact CG2-CD1 4Å; I135-L218 HydrophobicContact CD1-CD1 3.59Å; I135-L218 HydrophobicContact CG1-CD1 3.92Å; I135-L218 HydrophobicContact CG2-CD1 3.89Å; F139-L218 HydrophobicContact CB-CB 4.42Å; F139-L218 HydrophobicContact CD2-CB 3.87Å; F139-L218 HydrophobicContact CD2-CD2 4.34Å; F139-L218 HydrophobicContact CE1-CD2 4.3Å; F139-L218 HydrophobicContact CE2-CB 4.3Å; F139-L218 HydrophobicContact CE2-CD2 4.04Å; F139-L218 HydrophobicContact CG-CB 4.13Å; F139-L218 HydrophobicContact CZ-CD2 4.01Å; P214-L218 PolarHBondContact O-N 3.24Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 3.01Å; A216-L218 PolarHBondContact O-N 3.3Å; L218-A221 PolarHBondContact O-N 3.19Å; L218-L222 HydrophobicContact CD1-CD1 4.13Å; L218-L222 HydrophobicContact CD1-CG 4.47Å; L218-L222 HydrophobicContact CG-CD1 4.2Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 2.96Å; L218-L222 VanDerWaalsContact O-N 3.09Å
219I98.3Very high95.5Very high97 Ų9763.3 Ų63.350%0.49735%0.354SS..Hα-helixtrans-64.9-41.4179.9-62-55.5000111.4L215 A216 A221 L222 L223L215-I219 PolarHBondContact O-N 2.99Å; A216-I219 PolarHBondContact O-N 3.04Å; I219-A221 PolarHBondContact O-N 3.43Å; I219-L222 HydrophobicContact CD1-CD1 4.45Å; I219-L222 PolarHBondContact O-N 2.81Å; I219-L223 HydrophobicContact CG2-CD1 3.91Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.71Å
220A98.1Very high96.2Very high46 Ų4663.3 Ų63.338%0.3835%0.346SS..Hα-helixtrans-59.6-46.4176.900000111.8A216 A217 L222 L223 D224A216-A220 WeakPolarHBondContact O-CB 3.34Å; A216-A220 PolarHBondContact O-N 3.43Å; A217-A220 PolarHBondContact O-N 3.37Å; A220-L222 PolarHBondContact O-N 3.31Å; A220-L223 PolarHBondContact O-N 2.88Å; A220-D224 WeakPolarHBondContact O-CB 3.47Å; A220-D224 PolarHBondContact O-N 3.15Å
221A97.9Very high96.9Very high18 Ų1864.8 Ų64.815%0.14935%0.345CS..Hα-helixtrans-62.5-42.4178.600000112.4L131 I135 A217 L218 I219 D224 F225L131-A221 HydrophobicContact CD1-CB 4.03Å; L131-A221 VanDerWaalsContact CD1-O 3.3Å; L131-A221 WeakPolarHBondContact CD1-O 3.4Å; I135-A221 HydrophobicContact CD1-CB 4.17Å; I135-A221 HydrophobicContact CG1-CB 3.66Å; A217-A221 WeakPolarHBondContact O-CB 3.47Å; A217-A221 PolarHBondContact O-N 3.42Å; L218-A221 PolarHBondContact O-N 3.19Å; I219-A221 PolarHBondContact O-N 3.43Å; A221-D224 PolarHBondContact O-N 2.94Å; A221-F225 PolarHBondContact O-N 3.08Å
222L98.5Very high97.6Very high38 Ų3863.8 Ų63.820%0.19934%0.34CS..Hα-helixtrans-62.1-46.1175.5-72.3168.3000111.7L131 I135 L218 I219 A220 D224 F225 H226L131-L222 HydrophobicContact CD1-CD2 4.24Å; L131-L222 HydrophobicContact CD2-CD2 4.3Å; I135-L222 HydrophobicContact CD1-CD2 4.19Å; I135-L222 HydrophobicContact CD1-CG 4.19Å; L218-L222 HydrophobicContact CD1-CD1 4.13Å; L218-L222 HydrophobicContact CD1-CG 4.47Å; L218-L222 HydrophobicContact CG-CD1 4.2Å; L218-L222 WeakPolarHBondContact O-CG 3.45Å; L218-L222 PolarHBondContact O-N 2.96Å; L218-L222 VanDerWaalsContact O-N 3.09Å; I219-L222 HydrophobicContact CD1-CD1 4.45Å; I219-L222 PolarHBondContact O-N 2.81Å; A220-L222 PolarHBondContact O-N 3.31Å; L222-D224 PolarHBondContact O-N 3.42Å; L222-F225 PolarHBondContact O-N 3.43Å; L222-H226 PolarHBondContact O-CD2 2.91Å; L222-H226 PolarHBondContact O-N 3.45Å
223L98.5Very high97.8Very high84 Ų8462.8 Ų62.844%0.4434%0.336SS..Hα-helixtrans-60.8-44.7177.7-76171.9000111.8I219 A220 H226 R227I219-L223 HydrophobicContact CG2-CD1 3.91Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.71Å; A220-L223 PolarHBondContact O-N 2.88Å; L223-H226 PolarHBondContact O-N 3.46Å; L223-R227 WeakPolarHBondContact O-CB 3.47Å; L223-R227 VanDerWaalsContact O-CG 3.24Å; L223-R227 WeakPolarHBondContact O-CG 3.46Å; L223-R227 PolarHBondContact O-N 3.49Å
224D97.8Very high98Very high101 Ų10165.3 Ų65.354%0.5434%0.341SS..Hα-helixtrans-63.1-42.7179.5-74.7-16.4000111.6A220 A221 L222 N228A220-D224 WeakPolarHBondContact O-CB 3.47Å; A220-D224 PolarHBondContact O-N 3.15Å; A221-D224 PolarHBondContact O-N 2.94Å; L222-D224 PolarHBondContact O-N 3.42Å; D224-N228 VanDerWaalsContact O-CB 3.27Å; D224-N228 WeakPolarHBondContact O-CB 3.33Å; D224-N228 PolarHBondContact O-N 3.32Å
225F98.1Very high98.1Very high26 Ų2669.4 Ų69.411%0.11436%0.362CS..Hα-helixtrans-59.6-53.4173.8167.4-106.8000111.8A127 K128 L131 A221 L222 R227 N228 A229A127-F225 HydrophobicContact CB-CD2 3.97Å; A127-F225 HydrophobicContact CB-CE2 4.18Å; K128-F225 HydrophobicContact CB-CE2 3.8Å; K128-F225 HydrophobicContact CB-CZ 4.35Å; K128-F225 HydrophobicContact CD-CE2 4.03Å; K128-F225 HydrophobicContact CD-CZ 3.94Å; L131-F225 HydrophobicContact CB-CB 4.12Å; L131-F225 HydrophobicContact CB-CD2 4.24Å; L131-F225 HydrophobicContact CB-CG 4.22Å; L131-F225 HydrophobicContact CD1-CB 3.87Å; L131-F225 HydrophobicContact CD2-CB 4.06Å; L131-F225 HydrophobicContact CD2-CD1 3.81Å; L131-F225 HydrophobicContact CD2-CD2 4.32Å; L131-F225 HydrophobicContact CD2-CE1 4.34Å; L131-F225 HydrophobicContact CD2-CG 3.79Å; L131-F225 HydrophobicContact CG-CB 4.24Å; L131-F225 HydrophobicContact CG-CG 4.39Å; A221-F225 PolarHBondContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 3.43Å; F225-R227 PolarHBondContact O-N 3.37Å; F225-N228 PolarHBondContact O-N 2.91Å; F225-N228 VanDerWaalsContact O-N 3.12Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 3.49Å
226H98.6Very high98.1Very high114 Ų11466.3 Ų66.353%0.52835%0.346SS..Hα-helixtrans-63.1-40.6-177.1-77.8-64.3000112.3L222 L223 N228 A229 Q230L222-H226 PolarHBondContact O-CD2 2.91Å; L222-H226 PolarHBondContact O-N 3.45Å; L223-H226 PolarHBondContact O-N 3.46Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.38Å; H226-A229 PolarHBondContact O-N 3.04Å; H226-Q230 VanDerWaalsContact O-CB 3.25Å; H226-Q230 WeakPolarHBondContact O-CB 3.28Å; H226-Q230 PolarHBondContact O-N 2.78Å
227R98.4Very high98.1Very high143 Ų14369.3 Ų69.354%0.5435%0.35SS..Hα-helixtrans-62.4-40174-74.7170.7173.9167.5-2.1112L223 F225 R231L223-R227 WeakPolarHBondContact O-CB 3.47Å; L223-R227 VanDerWaalsContact O-CG 3.24Å; L223-R227 WeakPolarHBondContact O-CG 3.46Å; L223-R227 PolarHBondContact O-N 3.49Å; F225-R227 PolarHBondContact O-N 3.37Å; R227-R231 PolarHBondContact O-N 2.67Å; R227-R231 VanDerWaalsContact O-N 3.09Å
228N97.9Very high98.2Very high61 Ų6171.8 Ų71.833%0.32637%0.365SS..Hα-helixtrans-68.2-46.5179-162.818.2000111.6D224 F225 H226 Q230 R231 V232D224-N228 VanDerWaalsContact O-CB 3.27Å; D224-N228 WeakPolarHBondContact O-CB 3.33Å; D224-N228 PolarHBondContact O-N 3.32Å; F225-N228 PolarHBondContact O-N 2.91Å; F225-N228 VanDerWaalsContact O-N 3.12Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.38Å; N228-Q230 PolarHBondContact O-N 2.82Å; N228-R231 PolarHBondContact O-N 2.95Å; N228-R231 PolarHBondContact OD1-NH1 3.22Å; N228-V232 WeakPolarHBondContact O-CG2 3.39Å; N228-V232 PolarHBondContact O-N 3.01Å; N228-V232 VanDerWaalsContact O-N 3.11Å
229A98.3Very high98.1Very high10 Ų1075.1 Ų75.18%0.08338%0.383CS..Hα-helixtrans-60.4-45.6175.700000111.5V124 F225 H226 R231 V232 L233V124-A229 HydrophobicContact CG1-CB 4.35Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 3.49Å; H226-A229 PolarHBondContact O-N 3.04Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 3.29Å; A229-V232 PolarHBondContact O-N 3.49Å; A229-L233 WeakPolarHBondContact O-CB 3.42Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.39Å; A229-L233 PolarHBondContact O-N 3Å
230Q98.5Very high98Very high118 Ų11873.1 Ų73.155%0.55137%0.373SS*.Hα-helixtrans-56.9-46.4176.7-178.1-176.7200111.7H226 N228 L233 L234H226-Q230 VanDerWaalsContact O-CB 3.25Å; H226-Q230 WeakPolarHBondContact O-CB 3.28Å; H226-Q230 PolarHBondContact O-N 2.78Å; N228-Q230 PolarHBondContact O-N 2.82Å; Q230-L233 PolarHBondContact O-N 2.91Å; Q230-L234 HydrophobicContact CG-CD1 3.9Å; Q230-L234 HydrophobicContact CG-CG 4.31Å; Q230-L234 WeakPolarHBondContact O-CB 3.46Å; Q230-L234 WeakPolarHBondContact O-CG 3.49Å; Q230-L234 PolarHBondContact O-N 3.27Å
231R98.4Very high97.9Very high128 Ų12876.5 Ų76.548%0.48338%0.381SS..Hα-helixtrans-59.8-49.2178.5-166.4-174.3-40.794.16.9111.7R227 N228 A229 L233 L234 D235R227-R231 PolarHBondContact O-N 2.67Å; R227-R231 VanDerWaalsContact O-N 3.09Å; N228-R231 PolarHBondContact O-N 2.95Å; N228-R231 PolarHBondContact OD1-NH1 3.22Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 3.29Å; R231-L233 VanDerWaalsContact C-N 3.27Å; R231-L233 PolarHBondContact O-N 3.47Å; R231-L234 PolarHBondContact O-N 2.84Å; R231-D235 PolarHBondContact O-N 3.07Å
232V98.4Very high97.8Very high19 Ų1978.6 Ų78.612%0.11540%0.398CS..Hα-helixtrans-58-41.3178.4171.50000111.5A120 K123 V124 N228 A229 L236A120-V232 HydrophobicContact CB-CG1 3.88Å; A120-V232 WeakPolarHBondContact O-CG1 3.49Å; K123-V232 HydrophobicContact CB-CG1 4.14Å; K123-V232 HydrophobicContact CB-CG2 4.19Å; K123-V232 HydrophobicContact CD-CG1 4.44Å; V124-V232 HydrophobicContact CG2-CB 4.34Å; V124-V232 HydrophobicContact CG2-CG1 3.96Å; N228-V232 WeakPolarHBondContact O-CG2 3.39Å; N228-V232 PolarHBondContact O-N 3.01Å; N228-V232 VanDerWaalsContact O-N 3.11Å; A229-V232 PolarHBondContact O-N 3.49Å; V232-L236 WeakPolarHBondContact O-CB 3.39Å; V232-L236 PolarHBondContact O-N 3.44Å; V232-L236 VanDerWaalsContact O-N 3.1Å
233L98.3Very high97.6Very high81 Ų8180.1 Ų80.142%0.42440%0.401SS..Hα-helixtrans-74.6-34.8-179.2-67.7173.8000112.9A229 Q230 R231 L236 Q237A229-L233 WeakPolarHBondContact O-CB 3.42Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.39Å; A229-L233 PolarHBondContact O-N 3Å; Q230-L233 PolarHBondContact O-N 2.91Å; R231-L233 VanDerWaalsContact C-N 3.27Å; R231-L233 PolarHBondContact O-N 3.47Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-Q237 WeakPolarHBondContact O-CB 3.49Å; L233-Q237 PolarHBondContact O-N 3.22Å
234L98.4Very high97.4Very high87 Ų8780.9 Ų80.946%0.45541%0.405SS..Hα-helixtrans-66.6-43.8174.4-76.2173.6000111.5Q230 R231 L236 Q237 S238Q230-L234 HydrophobicContact CG-CD1 3.9Å; Q230-L234 HydrophobicContact CG-CG 4.31Å; Q230-L234 WeakPolarHBondContact O-CB 3.46Å; Q230-L234 WeakPolarHBondContact O-CG 3.49Å; Q230-L234 PolarHBondContact O-N 3.27Å; R231-L234 PolarHBondContact O-N 2.84Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.47Å; L234-Q237 PolarHBondContact O-N 3.42Å; L234-S238 PolarHBondContact O-N 3.08Å; L234-S238 VanDerWaalsContact O-N 3.07Å
235D97.6Very high97.3Very high95 Ų9579.4 Ų79.451%0.50840%0.4SS..Hα-helixtrans-59.3-48.1175.4-64-19.4000109.9R231 Q237 S238 D239R231-D235 PolarHBondContact O-N 3.07Å; D235-Q237 VanDerWaalsContact C-N 3.34Å; D235-Q237 PolarHBondContact O-N 3.24Å; D235-S238 WeakPolarHBondContact O-CB 3.49Å; D235-S238 PolarHBondContact O-N 3.07Å; D235-D239 PolarHBondContact O-N 2.87Å
236L98.1Very high96.9Very high17 Ų1780.6 Ų80.69%0.08942%0.415CS..Hα-helixtrans-59.1-42.3176.1176.667.8000112.6D116 V117 A120 V232 L233 L234 S238 D239 L240D116-L236 HydrophobicContact CB-CD1 4.05Å; V117-L236 HydrophobicContact CB-CD2 4.46Å; V117-L236 HydrophobicContact CG1-CD2 4.37Å; V117-L236 HydrophobicContact CG2-CD1 4.12Å; V117-L236 HydrophobicContact CG2-CD2 4.23Å; A120-L236 HydrophobicContact CB-CB 4.16Å; A120-L236 HydrophobicContact CB-CD1 4.13Å; A120-L236 HydrophobicContact CB-CD2 3.75Å; A120-L236 HydrophobicContact CB-CG 4.23Å; V232-L236 WeakPolarHBondContact O-CB 3.39Å; V232-L236 PolarHBondContact O-N 3.44Å; V232-L236 VanDerWaalsContact O-N 3.1Å; L233-L236 PolarHBondContact O-N 2.88Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.47Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.1Å; L236-D239 PolarHBondContact O-N 3.49Å; L236-L240 HydrophobicContact CD1-CD1 4.12Å; L236-L240 HydrophobicContact CD1-CG 4.01Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 HydrophobicContact CG-CG 4.26Å; L236-L240 WeakPolarHBondContact O-CB 3.5Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 3.33Å
237Q97.9Very high96.5Very high123 Ų12376.9 Ų76.958%0.57540%0.404SS*.Hα-helixtrans-61.2-42.9179.2-175.5-179.627.200111.1L233 L234 D235 Q241L233-Q237 WeakPolarHBondContact O-CB 3.49Å; L233-Q237 PolarHBondContact O-N 3.22Å; L234-Q237 PolarHBondContact O-N 3.42Å; D235-Q237 VanDerWaalsContact C-N 3.34Å; D235-Q237 PolarHBondContact O-N 3.24Å; Q237-Q241 WeakPolarHBondContact O-CB 3.4Å; Q237-Q241 PolarHBondContact O-N 3.2Å
238S97.3Very high96.2Very high79 Ų7974.3 Ų74.355%0.55241%0.408SS*.Hα-helixtrans-61.7-47.1175.1-179.70000111.4L234 D235 L236 L240 Q241 A242L234-S238 PolarHBondContact O-N 3.08Å; L234-S238 VanDerWaalsContact O-N 3.07Å; D235-S238 WeakPolarHBondContact O-CB 3.49Å; D235-S238 PolarHBondContact O-N 3.07Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact O-N 2.98Å; S238-Q241 PolarHBondContact O-N 3.01Å; S238-A242 PolarHBondContact O-N 3.46Å
239D95.9Very high95.7Very high93 Ų9377.4 Ų77.450%0.49742%0.424SS..Hα-helixtrans-61.7-43.6179.8-69.3-18.1000111.9D235 L236 A242 R243D235-D239 PolarHBondContact O-N 2.87Å; L236-D239 PolarHBondContact O-N 3.49Å; D239-A242 PolarHBondContact O-N 3.42Å; D239-R243 WeakPolarHBondContact O-CB 3.33Å; D239-R243 PolarHBondContact O-N 3.12Å
240L97.3Very high95Very high55 Ų5582.1 Ų82.129%0.28844%0.443SS..Hα-helixtrans-66.6-38.9176.8-72.3178.6000112.4A113 V117 L236 S238 A242 R243 L244A113-L240 HydrophobicContact CB-CD2 4.12Å; V117-L240 HydrophobicContact CG2-CD1 3.92Å; V117-L240 HydrophobicContact CG2-CD2 4.2Å; L236-L240 HydrophobicContact CD1-CD1 4.12Å; L236-L240 HydrophobicContact CD1-CG 4.01Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 HydrophobicContact CG-CG 4.26Å; L236-L240 WeakPolarHBondContact O-CB 3.5Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 3.33Å; S238-L240 PolarHBondContact O-N 2.98Å; L240-A242 VanDerWaalsContact C-N 3.34Å; L240-R243 PolarHBondContact O-N 2.58Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 PolarHBondContact O-N 3.21Å
241Q96.8Very high94Very high116 Ų11682 Ų8254%0.54245%0.452SS..Hα-helixtrans-64.8-40.6176.7-169.566.326.200111.2Q237 S238 L244 T245Q237-Q241 WeakPolarHBondContact O-CB 3.4Å; Q237-Q241 PolarHBondContact O-N 3.2Å; S238-Q241 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 2.85Å; Q241-T245 WeakPolarHBondContact O-CB 3.46Å; Q241-T245 PolarHBondContact O-N 3.47Å; Q241-T245 PolarHBondContact O-OG1 3.06Å
242A95.1Very high92.9Very high62 Ų6280.5 Ų80.551%0.51247%0.467SS..Hα-helixtrans-63.4-45.117400000111.3S238 D239 L240 T245 A246S238-A242 PolarHBondContact O-N 3.46Å; D239-A242 PolarHBondContact O-N 3.42Å; L240-A242 VanDerWaalsContact C-N 3.34Å; A242-T245 PolarHBondContact O-N 3.31Å; A242-A246 WeakPolarHBondContact O-CB 3.27Å; A242-A246 PolarHBondContact O-N 3.24Å
243R94.6Very high91.4Very high71 Ų7189.5 Ų89.527%0.26850%0.499SS..Hα-helixtrans-61.6-44.4176.4-176.8-178.7-69.6-76.83.4112.1E109 D116 D239 L240 A246 A247E109-R243 IonicContact OE2-NH1 2.69Å; E109-R243 PolarHBondContact OE2-NH1 3.41Å; D116-R243 IonicContact OD1-NH2 3.51Å; D116-R243 IonicContact OD2-CZ 2.74Å; D116-R243 IonicContact OD2-NE 2.6Å; D116-R243 PolarHBondContact OD2-NE 3.42Å; D116-R243 IonicContact OD2-NH2 3.25Å; D116-R243 PolarHBondContact OD2-NH2 3.48Å; D239-R243 WeakPolarHBondContact O-CB 3.33Å; D239-R243 PolarHBondContact O-N 3.12Å; L240-R243 PolarHBondContact O-N 2.58Å; R243-A246 PolarHBondContact O-N 3.37Å; R243-A247 WeakPolarHBondContact O-CB 3.5Å; R243-A247 PolarHBondContact O-N 3.41Å
244L94.8Very high89.5Confident100 Ų10093.5 Ų93.552%0.52452%0.516SS..Hα-helixtrans-60.3-48.2177.4179.661000110.8L240 Q241 A246 A247 S248L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 PolarHBondContact O-N 3.21Å; Q241-L244 PolarHBondContact O-N 2.85Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.11Å; L244-A247 PolarHBondContact O-N 3.34Å; L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 3Å; L244-S248 PolarHBondContact O-OG 2.95Å; L244-S248 VanDerWaalsContact O-OG 3.12Å
245T93.9Very high88.2Confident69 Ų6998.3 Ų98.342%0.42353%0.533SS..Hα-helixtrans-59.7-44.9177.3-53.70000111.2Q241 A242 A247 S248 N249Q241-T245 WeakPolarHBondContact O-CB 3.46Å; Q241-T245 PolarHBondContact O-N 3.47Å; Q241-T245 PolarHBondContact O-OG1 3.06Å; A242-T245 PolarHBondContact O-N 3.31Å; T245-A247 PolarHBondContact O-N 3.45Å; T245-S248 PolarHBondContact O-N 3.18Å; T245-N249 PolarHBondContact O-N 3.13Å; T245-N249 PolarHBondContact O-ND2 3.36Å
246A91.4Very high86.4Confident52 Ų52104.1 Ų104.143%0.4355%0.548SS..Hα-helixtrans-63.2-4117700000112.1A242 R243 L244 N249 K250A242-A246 WeakPolarHBondContact O-CB 3.27Å; A242-A246 PolarHBondContact O-N 3.24Å; R243-A246 PolarHBondContact O-N 3.37Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.11Å; A246-N249 PolarHBondContact O-N 3.09Å; A246-K250 WeakPolarHBondContact O-CG 3.46Å
247A90.4Very high84.8Confident35 Ų35107 Ų10729%0.28957%0.569SS.*Hα-helixtrans-68.2-40.9178.400000112.4R243 L244 T245 N249 K250R243-A247 WeakPolarHBondContact O-CB 3.5Å; R243-A247 PolarHBondContact O-N 3.41Å; L244-A247 PolarHBondContact O-N 3.34Å; T245-A247 PolarHBondContact O-N 3.45Å; A247-N249 PolarHBondContact O-N 2.97Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 3.5Å; A247-K250 VanDerWaalsContact O-N 3.17Å
248S90.2Very high82.9Confident89 Ų89110 Ų11062%0.62258%0.584SS**Hα-helixtrans-64.1-28.1177.2-65.60000113.3L244 T245L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 3Å; L244-S248 PolarHBondContact O-OG 2.95Å; L244-S248 VanDerWaalsContact O-OG 3.12Å; T245-S248 PolarHBondContact O-N 3.18Å
249N88.8Confident80.9Confident127 Ų127115 Ų11568%0.67960%0.595SS**THydrogen-bonded Turntrans-86.9-1.8178.2-68.6-36.4000113.5T245 A246 A247T245-N249 PolarHBondContact O-N 3.13Å; T245-N249 PolarHBondContact O-ND2 3.36Å; A246-N249 PolarHBondContact O-N 3.09Å; A247-N249 PolarHBondContact O-N 2.97Å
250K83.8Confident79Confident108 Ų108117.7 Ų117.747%0.4761%0.608SS.*SBendtrans-76.3132.8177.4-74.2-178.9-173.8-1690110.6E109 A246 A247 A252E109-K250 IonicContact OE1-NZ 2.92Å; E109-K250 PolarHBondContact OE1-NZ 3.33Å; A246-K250 WeakPolarHBondContact O-CG 3.46Å; A247-K250 WeakPolarHBondContact O-CB 3.49Å; A247-K250 PolarHBondContact O-N 3.5Å; A247-K250 VanDerWaalsContact O-N 3.17Å; K250-A252 PolarHBondContact O-N 3.17Å
251P77.1Confident76.9Confident115 Ų115126.7 Ų126.775%0.74764%0.638SS**PPolyproline II helixtrans-61.6139.8173.824.9-31.9000110.3R253P251-R253 PolarHBondContact O-N 2.79Å
252A73.9Confident74.7Confident97 Ų97127 Ų12780%0.80265%0.648SS**PPolyproline II helixtrans-56.6124.8-178.400000110.7K250 Q254K250-A252 PolarHBondContact O-N 3.17Å; A252-Q254 PolarHBondContact O-N 2.69Å
253R67.6Low72.5Confident209 Ų209133.5 Ų133.579%0.78967%0.668SS**PPolyproline II helixtrans-65.4117.1174.3-72.2-174.4178.5175.93.5108.5P251 F255P251-R253 PolarHBondContact O-N 2.79Å; R253-F255 PolarHBondContact O-N 2.77Å
254Q58.8Low70.1Confident165 Ų165133.2 Ų133.277%0.77169%0.687SS**PPolyproline II helixtrans-70.9121.2169-76.8179.3-8.600108.8A252 R256A252-Q254 PolarHBondContact O-N 2.69Å; Q254-R256 PolarHBondContact O-N 3.25Å
255F70.6Confident67.7Low188 Ų188136 Ų13683%0.82570%0.703SS**  trans-65.1102168.7-180-102.3000108.4R253 S257R253-F255 PolarHBondContact O-N 2.77Å; F255-S257 PolarHBondContact O-N 3.45Å
256R59.6Low65.6Low217 Ų217138.1 Ų138.182%0.81972%0.717SS**  trans-87.1102.5167.4-77.9-169176.7-166.40.2107.4Q254 E258Q254-R256 PolarHBondContact O-N 3.25Å; R256-E258 PolarHBondContact O-N 3.33Å
257S64.6Low63.5Low76 Ų76143.7 Ų143.753%0.53174%0.74SS.*  trans-62.511816147.90000107.7F255 K259F255-S257 PolarHBondContact O-N 3.45Å; S257-K259 PolarHBondContact O-N 2.83Å
258E58.1Low61.2Low187 Ų187145.3 Ų145.387%0.87476%0.76SS**  trans-67.2100.7175.1-161.1161.7-153.100107.2R256 I260R256-E258 PolarHBondContact O-N 3.33Å; E258-I260 PolarHBondContact O-N 2.9Å
259K54.6Low58.7Low184 Ų184148 Ų14880%0.877%0.773SS**  trans-70.5104.9172.3-71.9-173.1179.6-176.20106.9S257 R261S257-K259 PolarHBondContact O-N 2.83Å; K259-R261 PolarHBondContact O-N 3.32Å
260I57.1Low56.3Low150 Ų150147.9 Ų147.977%0.76978%0.776SS**  trans-52.3109.3168.7-61.5168.5000107.1E258 V262E258-I260 PolarHBondContact O-N 2.9Å; I260-V262 HydrophobicContact CG2-CG2 4.28Å; I260-V262 PolarHBondContact O-N 3.5Å
261R52.7Low53.9Low244 Ų244146.2 Ų146.292%0.92179%0.79SS**  trans-75.1101.8167.9-93-179.8162.8155.6-5.7106.7K259 E263K259-R261 PolarHBondContact O-N 3.32Å; R261-E263 PolarHBondContact O-N 2.84Å
262V51.3Low51.9Low123 Ų123148.9 Ų148.975%0.74579%0.79SS**  trans-71.9108.7162.8-178.80000106.2I260 G264I260-V262 HydrophobicContact CG2-CG2 4.28Å; I260-V262 PolarHBondContact O-N 3.5Å; V262-G264 VanDerWaalsContact C-N 3.35Å; V262-G264 PolarHBondContact O-N 3.03Å
263E48.4Very low50.1Low197 Ų197155.5 Ų155.592%0.92180%0.796SS**  trans-69.695.8168.5-159.1166.5-152.400106.6R261R261-E263 PolarHBondContact O-N 2.84Å
264G43.9Very low48.5Very low66 Ų66153 Ų15368%0.6879%0.793SS**  trans-83.9113.4-179.200000110.6V262V262-G264 VanDerWaalsContact C-N 3.35Å; V262-G264 PolarHBondContact O-N 3.03Å
265D44.4Very low47.7Very low159 Ų159152.6 Ų152.685%0.8579%0.791SS**  trans-61.5149.6163.4-97-29.4000111.1N267D265-N267 PolarHBondContact O-N 3.17Å
266P50.6Low45.8Very low112 Ų112152 Ų15273%0.72780%0.796SS**SBendtrans-82.591.4-168.232.4-32.8000111.1
267N46.6Very low44.6Very low169 Ų169146.9 Ų146.990%0.90479%0.793SS**  trans-170.5111.3144.7-100.4-19000112.7D265D265-N267 PolarHBondContact O-N 3.17Å
268G43.3Very low43.2Very low69 Ų69148.3 Ų148.371%0.71181%0.809SS**SBendtrans108.996.4143.300000117.7
269T36.8Very low42.1Very low145 Ų145144 Ų14489%0.8981%0.806SS**  trans88.8101.7146.9-32.90000117.5
270V39.7Very low41.2Very low125 Ų125139.9 Ų139.976%0.75881%0.806SS**  trans-73.4132.2173.1175.80000110.7F272V270-F272 HydrophobicContact CG1-CD2 3.86Å
271G32.9Very low40.3Very low73 Ų73138.6 Ų138.675%0.75381%0.807SS**  trans-13397.316100000109.7
272F35.4Very low39.2Very low172 Ų172138.4 Ų138.475%0.75481%0.807SS**  trans-84.1130.7177.3-118.1-98.3000109.9V270V270-F272 HydrophobicContact CG1-CD2 3.86Å
273Y35.8Very low38.2Very low235 Ų235137.7 Ų137.792%0.92281%0.807SS**  trans-136.8148.2148.7-64.3-73.8000112.2
274H34.5Very low37.4Very low156 Ų156134 Ų13472%0.72280%0.803SS**  trans-80.1143.2-152.6-136.8-95.8000114.9
275Q40.1Very low36.7Very low158 Ų158134.7 Ų134.774%0.73881%0.81SS**  trans-17.3123.3138.9-173.4175.77.800115.8
276L31.1Very low36Very low175 Ų175136.1 Ų136.192%0.91681%0.812SS**  trans-119.7107.5160.6-79.1167.2000110
277S35.7Very low34.9Very low109 Ų109139.6 Ų139.676%0.76282%0.819SS**  trans-73.6134.1165.5-1550000108.4A279S277-A279 PolarHBondContact O-N 2.94Å
278A34.3Very low34Very low106 Ų106137 Ų13788%0.87681%0.814SS**  trans-73.3112.8-179.900000111
279A35.2Very low33.2Very low98 Ų98139.1 Ų139.181%0.8182%0.818SS**  trans-129.4124.2157.100000107.9S277S277-A279 PolarHBondContact O-N 2.94Å
280A34.7Very low32.8Very low97 Ų97138.1 Ų138.180%0.80281%0.811SS**  trans-66.1154.4173.600000110.6
281P38.3Very low32.5Very low122 Ų122139.4 Ų139.479%0.79281%0.812SS**  -152.6160.977.136-14.2000118.4
282R31.2Very low32.2Very low241 Ų241142.6 Ų142.691%0.90982%0.817SS**  trans22.6139.1149.5-60-169.1174.8-167.4-1.4124.9
283S29.2Very low32Very low107 Ų107139.3 Ų139.375%0.74882%0.815SS**  trans91.9118.2137.791.40000123.7
284S32Very low31.9Very low120 Ų120133.8 Ų133.884%0.83981%0.811SS**  trans52.6128.9133.762.30000122.5
285G28.2Very low32.2Very low81 Ų81131.7 Ų131.784%0.83581%0.811SS**  trans155.6116.3154.700000113.4
286E29.8Very low31.8Very low188 Ų188130.9 Ų130.988%0.87981%0.812SS**  trans-71.5151176.7-65.8164.7127.100113.2
287E28.1Very low31.8Very low186 Ų186128.3 Ų128.387%0.86981%0.809SS**  160.3115.2115.6-87.2-169.7158.700113.9
288S27.4Very low32Very low115 Ų115132 Ų13280%0.80481%0.812SS**  trans46.9139.7132.7-84.60000126.4
289S27.1Very low32.1Very low113 Ų113134.4 Ų134.479%0.7981%0.808SS**  trans92.9137.2144.9850000115.9
290V28Very low32.8Very low124 Ų124134.3 Ų134.375%0.75280%0.801SS**  cis-153.3142.222.9169.20000109.2
291I32.4Very low32.7Very low152 Ų152136.3 Ų136.378%0.77980%0.799SS**  trans-75.3131.7169.4-64.1166.9000109.7
292T26.7Very low33Very low140 Ų140139.4 Ų139.486%0.85980%0.8SS**  trans-121.4109.6155.428.10000108.4
293S32.5Very low33.6Very low102 Ų102131.6 Ų131.671%0.71379%0.787SS**  trans-89.4138.1175.149.30000110.9
294S33.2Very low34.2Very low120 Ų120132.1 Ų132.184%0.83978%0.781SS**  trans-157.8152.4148-860000110.5
295P41.3Very low34.8Very low112 Ų112129.2 Ų129.273%0.72776%0.76SS**  trans-105.6178-138.823-4.2000112.8
296D31.6Very low35.6Very low141 Ų141134 Ų13475%0.75476%0.758SS**  trans8883.7172.7-59.5-23.8000116.7
297S30.4Very low36.5Very low121 Ų121131.7 Ų131.785%0.84675%0.751SS**  -161.6117.3127.840.40000110.8
298F40.6Very low37.6Very low187 Ų187126 Ų12682%0.8273%0.726SS**  trans-68.5139.9163.3-72.2-98.8000109.2
299I35.9Very low38.8Very low156 Ų156125.9 Ų125.980%0.872%0.716SS**  trans131116.5147.1-65.7165000114.4
300S49.4Very low40.6Very low96 Ų96128.1 Ų128.167%0.67172%0.719SS**  trans46.9108.2149.279.80000119.1
301N34.2Very low42.9Very low139 Ų139125.8 Ų125.874%0.74370%0.7SS**  trans-149.4124.5141.6-92.9-45.2000111.8A303 D304N301-A303 HydrophobicContact CB-CB 4.38Å; N301-A303 PolarHBondContact O-N 3.24Å; N301-D304 PolarHBondContact O-N 3.18Å
302F44.7Very low45.5Very low187 Ų187119.9 Ų119.982%0.8267%0.671SS**THydrogen-bonded Turntrans-61.13.8170.9-168.5-101.1000113.5
303A42Very low48.5Very low76 Ų76113.4 Ų113.463%0.62863%0.632SS**THydrogen-bonded Turntrans-78.9-28.6178.300000112.7N301N301-A303 HydrophobicContact CB-CB 4.38Å; N301-A303 PolarHBondContact O-N 3.24Å
304D43.3Very low51.2Low119 Ų119108.6 Ų108.664%0.63660%0.598SS**G310 helixtrans-82.8-12.2178.8-76.4-27.9000113.5N301 K306 L307N301-D304 PolarHBondContact O-N 3.18Å; D304-K306 PolarHBondContact O-N 3.37Å; D304-L307 PolarHBondContact O-N 3Å
305C43.8Very low54Low58 Ų58107.9 Ų107.939%0.39258%0.577SS.*G310 helixtrans-67.9-14177.3-65.10000113.8
306K46.3Very low56.3Low181 Ų181102.6 Ų102.679%0.78754%0.543SS*.G310 helixtrans-82.8-13.5-179.1-122.8-179-177.3-175.80114.1D304D304-K306 PolarHBondContact O-N 3.37Å
307L48.4Very low59.1Low141 Ų14198.7 Ų98.774%0.73852%0.521SS*.THydrogen-bonded Turntrans-95.7-18.6178.4-74.9169.2000113.5D304D304-L307 PolarHBondContact O-N 3Å
308L51.1Low61.7Low65 Ų6599.2 Ų99.234%0.3451%0.506SS..SBendtrans-92.7-8.1-177-67.9169.7000114.8N310 Q311 V337L308-N310 PolarHBondContact O-N 2.87Å; L308-Q311 WeakPolarHBondContact O-CG 3.24Å; L308-Q311 PolarHBondContact O-N 3.28Å; L308-V337 HydrophobicContact CD2-CG2 4.2Å
309L53Low63.9Low114 Ų11493.6 Ų93.660%0.59749%0.489SS*.THydrogen-bonded Turntrans-73.7-0.1179.8-90.5149.3000114.8V367L309-V367 HydrophobicContact CD2-CG2 4.33Å
310N63.2Low66.4Low159 Ų15987.7 Ų87.785%0.8546%0.458SS*.THydrogen-bonded Turntrans-98.53.9175.5-69.7-17.6000113.4L308L308-N310 PolarHBondContact O-N 2.87Å
311Q76.8Confident68Low76 Ų7688.3 Ų88.336%0.35546%0.458SS..SBendtrans-134.3154.117964.7-171.730.900111.6L308 C313 V337L308-Q311 WeakPolarHBondContact O-CG 3.24Å; L308-Q311 PolarHBondContact O-N 3.28Å; Q311-C313 PolarHBondContact O-N 2.96Å; Q311-V337 HydrophobicContact CG-CG1 4.14Å
312P87.5Confident70.3Confident27 Ų2783.3 Ų83.318%0.17543%0.434CS..  trans-55.4129.9178-26.737.2000111.2L338 V367 L369P312-L338 HydrophobicContact CB-CB 3.93Å; P312-L338 PolarHBondContact O-N 2.81Å; P312-V367 CarbonylContact C-O 3.57Å; P312-V367 VanDerWaalsContact CA-O 3.29Å; P312-V367 WeakPolarHBondContact CA-O 3.33Å; P312-L369 HydrophobicContact CB-CD2 3.69Å; P312-L369 HydrophobicContact CB-CG 4.06Å; P312-L369 HydrophobicContact CG-CD2 4Å
313C89.8Confident71.8Confident5 Ų583.6 Ų83.63%0.03444%0.435CS..EExtended strand (participates in β ladder)trans-155.1157.8-177.958.40000111.9Q311 V335 I336 L366 V367Q311-C313 PolarHBondContact O-N 2.96Å; C313-V335 HydrophobicContact CB-CG1 4.22Å; C313-I336 CarbonylContact C-O 3.58Å; C313-I336 VanDerWaalsContact CA-O 3.23Å; C313-I336 WeakPolarHBondContact CA-O 3.43Å; C313-I336 WeakPolarHBondContact CB-O 3.44Å; C313-L366 PolarHBondContact O-N 3.09Å; C313-V367 PolarHBondContact N-O 3.28Å; C313-V367 PolarHBondContact O-N 3.18Å
314C89.1Confident73.3Confident0 Ų087.2 Ų87.20%043%0.432CS..EExtended strand (participates in β ladder)trans-134.1160176.166.70000110.4V335 I336 L338 V363 E364C314-V335 CarbonylContact O-C 3.32Å; C314-V335 WeakPolarHBondContact O-CA 3.47Å; C314-I336 PolarHBondContact N-O 2.84Å; C314-I336 PolarHBondContact O-N 2.86Å; C314-L338 HydrophobicContact CB-CD1 4.1Å; C314-L338 HydrophobicContact CB-CD2 4.26Å; C314-L338 HydrophobicContact CB-CG 4.18Å; C314-V363 HydrophobicContact CB-CB 4Å; C314-V363 HydrophobicContact CB-CG2 4.14Å; C314-E364 CarbonylContact C-O 3.47Å; C314-E364 VanDerWaalsContact CA-O 3.24Å; C314-E364 WeakPolarHBondContact CA-O 3.35Å; C314-E364 WeakPolarHBondContact CB-O 3.47Å
315R91.4Very high74.9Confident105 Ų10590.2 Ų90.240%0.39645%0.448SS..EExtended strand (participates in β ladder)trans-110.5130.8173.8177.2172.760.9-166.9-0.8109.4I317 E334 V363 E364 L366R315-I317 PolarHBondContact O-N 3.11Å; R315-E334 CarbonylContact C-O 3.56Å; R315-E334 WeakPolarHBondContact CA-O 3.32Å; R315-V363 CarbonylContact O-C 3.59Å; R315-V363 WeakPolarHBondContact O-CA 3.2Å; R315-E364 IonicContact CZ-OE2 2.69Å; R315-E364 PolarHBondContact N-O 3.06Å; R315-E364 IonicContact NE-OE2 3.04Å; R315-E364 IonicContact NH2-OE1 3.52Å; R315-E364 IonicContact NH2-OE2 3.93Å; R315-E364 PolarHBondContact NH2-OE2 2.9Å; R315-E364 PolarHBondContact O-N 2.86Å; R315-L366 HydrophobicContact CB-CD1 4.04Å; R315-L366 HydrophobicContact CB-CD2 4.22Å; R315-L366 HydrophobicContact CB-CG 4.13Å
316A89.9Confident76.8Confident2 Ų291 Ų912%0.01745%0.449CS..EExtended strand (participates in β ladder)trans-64.6122.3172.700000110.8F330 S331 G333 E334A316-F330 HydrophobicContact CB-CD2 3.43Å; A316-F330 VanDerWaalsContact CB-CD2 3.43Å; A316-F330 HydrophobicContact CB-CE2 3.77Å; A316-F330 HydrophobicContact CB-CG 4.47Å; A316-S331 VanDerWaalsContact CB-O 3.27Å; A316-S331 WeakPolarHBondContact CB-O 3.41Å; A316-G333 PolarHBondContact O-N 3.49Å; A316-E334 PolarHBondContact N-O 2.82Å
317I90.9Very high78.8Confident58 Ų5883.9 Ų83.930%0.29742%0.418SS..SBendtrans-94.5-12.1173.955.7165.4000112.3R315 Y362 E364R315-I317 PolarHBondContact O-N 3.11Å; I317-Y362 VanDerWaalsContact CG1-C 3.41Å; I317-Y362 WeakPolarHBondContact CG1-O 3.35Å; I317-Y362 PolarHBondContact N-O 2.88Å; I317-E364 HydrophobicContact CG2-CB 3.73Å
318Y84.6Confident80.7Confident132 Ų13277.3 Ų77.352%0.51838%0.384SS..SBendtrans-143.8152170.9-57.2-67.9000109.4F330 Y362Y318-F330 WeakPolarHBondContact O-CE2 3.29Å; Y318-Y362 HydrophobicContact CD2-CD1 4.45Å; Y318-Y362 PolarHBondContact N-O 3.26Å
319S86.4Confident82.4Confident69 Ų6977.3 Ų77.348%0.48338%0.384SS..  trans-69.9141169.8-53.40000110.9F330 E332S319-F330 CarbonylContact C-O 3.49Å; S319-F330 WeakPolarHBondContact CA-O 3.39Å; S319-E332 PolarHBondContact OG-N 3.21Å
320F87.8Confident84.1Confident32 Ų3272.1 Ų72.114%0.1436%0.357CS..BIsolated β-bridgetrans-130.1133178.3-176.8-98.3000110.3E327 L328 F330 P359 Y362F320-E327 HydrophobicContact CE1-CB 4.14Å; F320-L328 WeakPolarHBondContact CD1-O 3.18Å; F320-F330 HydrophobicContact CB-CD1 4.17Å; F320-F330 HydrophobicContact CB-CD2 4.05Å; F320-F330 HydrophobicContact CB-CE1 3.65Å; F320-F330 HydrophobicContact CB-CE2 3.56Å; F320-F330 HydrophobicContact CB-CG 4.36Å; F320-F330 HydrophobicContact CB-CZ 3.34Å; F320-F330 HydrophobicContact CD1-CD1 4.47Å; F320-F330 AromaticContact CD1-CE1 3.86Å; F320-F330 HydrophobicContact CD1-CE1 3.86Å; F320-F330 HydrophobicContact CD1-CZ 4.27Å; F320-F330 HydrophobicContact CG-CE1 4.03Å; F320-F330 AromaticContact CG-CZ 3.97Å; F320-F330 HydrophobicContact CG-CZ 3.97Å; F320-F330 PolarHBondContact N-O 3Å; F320-F330 PolarHBondContact O-N 3.47Å; F320-F330 VanDerWaalsContact O-N 3.08Å; F320-F330 VanDerWaalsContact O-O 3.07Å; F320-P359 HydrophobicContact CD2-CG 3.95Å; F320-P359 HydrophobicContact CE2-CG 3.65Å; F320-P359 HydrophobicContact CZ-CG 4.04Å; F320-Y362 HydrophobicContact CB-CD1 4.08Å; F320-Y362 HydrophobicContact CD2-CD1 4.1Å; F320-Y362 HydrophobicContact CD2-CE1 4.16Å
321T84.9Confident85.2Confident109 Ų10967.6 Ų67.667%0.66934%0.337SS*.  trans-115.1114.2174.9-48.90000107.6D329T321-D329 WeakPolarHBondContact CA-OD1 3.38Å
322S82.3Confident85.7Confident34 Ų3470.3 Ų70.324%0.23835%0.35CS..  trans-50138.517363.80000110.6E327 D329S322-E327 WeakPolarHBondContact CA-OE2 3.15Å; S322-E327 WeakPolarHBondContact CB-O 3.27Å; S322-D329 WeakPolarHBondContact CA-OD1 3.4Å; S322-D329 WeakPolarHBondContact CB-OD1 3.32Å; S322-D329 PolarHBondContact N-OD1 2.77Å; S322-D329 PolarHBondContact OG-OD1 2.81Å; S322-D329 PolarHBondContact OG-OD2 3.39Å
323K74.6Confident85.4Confident194 Ų19471.2 Ų71.284%0.84336%0.364SS*.SBendtrans-110.8-7172.4-67.4-179.8-178.4173.80111.8E327K323-E327 PolarHBondContact N-OE2 2.95Å
324R75.1Confident85.2Confident151 Ų15174.3 Ų74.357%0.5738%0.378SS*.SBendtrans-138.1149.4-175-52.3172.359.8101.7-0.2108.8D326 E327R324-D326 WeakPolarHBondContact CB-OD1 3.39Å; R324-D326 IonicContact NE-OD1 3.16Å; R324-D326 PolarHBondContact NE-OD1 3.09Å; R324-D326 VanDerWaalsContact NE-OD1 3.16Å; R324-D326 IonicContact NE-OD2 3.78Å; R324-D326 IonicContact NH2-OD2 3.99Å; R324-D326 PolarHBondContact O-N 2.86Å; R324-D326 VanDerWaalsContact O-N 3.09Å; R324-E327 HydrophobicContact CB-CG 4.24Å; R324-E327 WeakPolarHBondContact CD-OE1 3.41Å; R324-E327 PolarHBondContact O-N 3.28Å; R324-E327 VanDerWaalsContact O-N 3.08Å
325D75.9Confident85.1Confident183 Ų18376.8 Ų76.898%0.97939%0.393SS*.THydrogen-bonded Turntrans-66.2-12.2-176-62.7-19.6000113.6
326D83.8Confident85Confident74 Ų7471.8 Ų71.840%0.39638%0.375SS..THydrogen-bonded Turntrans-92.7-3.2176.555.7-25000114.1R324 G356 L357R324-D326 WeakPolarHBondContact CB-OD1 3.39Å; R324-D326 IonicContact NE-OD1 3.16Å; R324-D326 PolarHBondContact NE-OD1 3.09Å; R324-D326 VanDerWaalsContact NE-OD1 3.16Å; R324-D326 IonicContact NE-OD2 3.78Å; R324-D326 IonicContact NH2-OD2 3.99Å; R324-D326 PolarHBondContact O-N 2.86Å; R324-D326 VanDerWaalsContact O-N 3.09Å; D326-G356 WeakPolarHBondContact O-CA 3.41Å; D326-L357 WeakPolarHBondContact O-CG 3.45Å; D326-L357 PolarHBondContact O-N 3.39Å
327E88.3Confident85Confident31 Ų3173.1 Ų73.115%0.14538%0.382CS..BIsolated β-bridgetrans-101.7147.7-178.2-69.5173.7-178.700112.2F320 S322 K323 R324 W346 L357F320-E327 HydrophobicContact CE1-CB 4.14Å; S322-E327 WeakPolarHBondContact CA-OE2 3.15Å; S322-E327 WeakPolarHBondContact CB-O 3.27Å; K323-E327 PolarHBondContact N-OE2 2.95Å; R324-E327 HydrophobicContact CB-CG 4.24Å; R324-E327 WeakPolarHBondContact CD-OE1 3.41Å; R324-E327 PolarHBondContact O-N 3.28Å; R324-E327 VanDerWaalsContact O-N 3.08Å; E327-W346 HydrophobicContact CG-CH2 4.33Å; E327-W346 HydrophobicContact CG-CZ3 4.24Å; E327-L357 WeakPolarHBondContact CA-O 3.42Å
328L88.2Confident84.9Confident4 Ų470.7 Ų70.72%0.02137%0.37CS..PPolyproline II helixtrans-95.9125.4-178.2-173.368.2000111.8F320 F330 I336 L351 R354 L357 L358F320-L328 WeakPolarHBondContact CD1-O 3.18Å; L328-F330 HydrophobicContact CG-CD1 4.46Å; L328-F330 WeakPolarHBondContact O-CD1 3.47Å; L328-F330 WeakPolarHBondContact O-CE1 3.37Å; L328-I336 HydrophobicContact CD2-CD1 4.47Å; L328-I336 HydrophobicContact CD2-CG2 3.82Å; L328-L351 HydrophobicContact CD1-CB 4.44Å; L328-L351 HydrophobicContact CD2-CB 4Å; L328-R354 HydrophobicContact CD1-CB 3.75Å; L328-L357 PolarHBondContact N-O 3.07Å; L328-L358 HydrophobicContact CD2-CD2 4.28Å
329D87.5Confident84.9Confident64 Ų6468 Ų6834%0.34237%0.367SS..PPolyproline II helixtrans-76.5131.8170-66.9-37.3000112.2T321 S322T321-D329 WeakPolarHBondContact CA-OD1 3.38Å; S322-D329 WeakPolarHBondContact CA-OD1 3.4Å; S322-D329 WeakPolarHBondContact CB-OD1 3.32Å; S322-D329 PolarHBondContact N-OD1 2.77Å; S322-D329 PolarHBondContact OG-OD1 2.81Å; S322-D329 PolarHBondContact OG-OD2 3.39Å
330F88.8Confident84.8Confident6 Ų665.4 Ų65.43%0.02635%0.352CS..BIsolated β-bridgetrans-154.3158.1175.655.3-94.2000113.1A316 Y318 S319 F320 L328 E334 I336 L351 L358 V363A316-F330 HydrophobicContact CB-CD2 3.43Å; A316-F330 VanDerWaalsContact CB-CD2 3.43Å; A316-F330 HydrophobicContact CB-CE2 3.77Å; A316-F330 HydrophobicContact CB-CG 4.47Å; Y318-F330 WeakPolarHBondContact O-CE2 3.29Å; S319-F330 CarbonylContact C-O 3.49Å; S319-F330 WeakPolarHBondContact CA-O 3.39Å; F320-F330 HydrophobicContact CB-CD1 4.17Å; F320-F330 HydrophobicContact CB-CD2 4.05Å; F320-F330 HydrophobicContact CB-CE1 3.65Å; F320-F330 HydrophobicContact CB-CE2 3.56Å; F320-F330 HydrophobicContact CB-CG 4.36Å; F320-F330 HydrophobicContact CB-CZ 3.34Å; F320-F330 HydrophobicContact CD1-CD1 4.47Å; F320-F330 AromaticContact CD1-CE1 3.86Å; F320-F330 HydrophobicContact CD1-CE1 3.86Å; F320-F330 HydrophobicContact CD1-CZ 4.27Å; F320-F330 HydrophobicContact CG-CE1 4.03Å; F320-F330 AromaticContact CG-CZ 3.97Å; F320-F330 HydrophobicContact CG-CZ 3.97Å; F320-F330 PolarHBondContact N-O 3Å; F320-F330 PolarHBondContact O-N 3.47Å; F320-F330 VanDerWaalsContact O-N 3.08Å; F320-F330 VanDerWaalsContact O-O 3.07Å; L328-F330 HydrophobicContact CG-CD1 4.46Å; L328-F330 WeakPolarHBondContact O-CD1 3.47Å; L328-F330 WeakPolarHBondContact O-CE1 3.37Å; F330-E334 VanDerWaalsContact CA-OE2 3.28Å; F330-E334 WeakPolarHBondContact CA-OE2 3.46Å; F330-E334 WeakPolarHBondContact CB-OE2 2.98Å; F330-I336 HydrophobicContact CB-CD1 3.86Å; F330-I336 HydrophobicContact CD1-CD1 3.64Å; F330-I336 HydrophobicContact CD2-CD1 4Å; F330-I336 HydrophobicContact CE1-CD1 4.14Å; F330-I336 HydrophobicContact CE2-CD1 4.42Å; F330-I336 HydrophobicContact CG-CD1 3.56Å; F330-I336 HydrophobicContact CZ-CD1 4.48Å; F330-L351 HydrophobicContact CB-CD2 4.02Å; F330-L358 HydrophobicContact CD1-CB 4.41Å; F330-L358 HydrophobicContact CE1-CB 3.47Å; F330-L358 VanDerWaalsContact CE1-CB 3.47Å; F330-L358 HydrophobicContact CZ-CB 3.99Å; F330-V363 HydrophobicContact CE2-CG1 4.18Å; F330-V363 HydrophobicContact CZ-CG1 4.12Å
331S86.1Confident84.8Confident63 Ų6368.8 Ų68.844%0.44137%0.368SS..  trans-105.7152178.2-60.10000112.2A316 G333 E334A316-S331 VanDerWaalsContact CB-O 3.27Å; A316-S331 WeakPolarHBondContact CB-O 3.41Å; S331-G333 PolarHBondContact O-N 3.17Å; S331-E334 PolarHBondContact N-OE2 3.18Å; S331-E334 WeakPolarHBondContact O-CB 3.23Å; S331-E334 PolarHBondContact O-N 3.32Å; S331-E334 VanDerWaalsContact O-N 3.09Å
332E87.3Confident84.8Confident134 Ų13467.7 Ų67.763%0.62636%0.361SS*.THydrogen-bonded Turntrans-51.1128172.9-176.9179.9162.800111S319S319-E332 PolarHBondContact OG-N 3.21Å
333G81.3Confident84.8Confident46 Ų4669.6 Ų69.647%0.47437%0.368SS..THydrogen-bonded Turntrans94.1-9.6-17900000115.4A316 S331A316-G333 PolarHBondContact O-N 3.49Å; S331-G333 PolarHBondContact O-N 3.17Å
334E85.8Confident85.1Confident70 Ų7063.1 Ų63.133%0.32736%0.357SS..  trans-71.6146.2175.9-70.1-173.9143.100112.2R315 A316 F330 S331 L351R315-E334 CarbonylContact C-O 3.56Å; R315-E334 WeakPolarHBondContact CA-O 3.32Å; A316-E334 PolarHBondContact N-O 2.82Å; F330-E334 VanDerWaalsContact CA-OE2 3.28Å; F330-E334 WeakPolarHBondContact CA-OE2 3.46Å; F330-E334 WeakPolarHBondContact CB-OE2 2.98Å; S331-E334 PolarHBondContact N-OE2 3.18Å; S331-E334 WeakPolarHBondContact O-CB 3.23Å; S331-E334 PolarHBondContact O-N 3.32Å; S331-E334 VanDerWaalsContact O-N 3.09Å; E334-L351 HydrophobicContact CB-CD1 4.48Å; E334-L351 VanDerWaalsContact OE2-CD2 3.31Å; E334-L351 WeakPolarHBondContact OE2-CD2 3.41Å
335V87.1Confident85.7Confident52 Ų5261.5 Ų61.532%0.31536%0.359SS..EExtended strand (participates in β ladder)trans-102.2120.3177.1178.80000108.9C313 C314 L351C313-V335 HydrophobicContact CB-CG1 4.22Å; C314-V335 CarbonylContact O-C 3.32Å; C314-V335 WeakPolarHBondContact O-CA 3.47Å; V335-L351 WeakPolarHBondContact O-CD1 3.28Å
336I88.6Confident86.3Confident0 Ų056.2 Ų56.20%033%0.326CS..EExtended strand (participates in β ladder)trans-111133.3-176.7-54.5164.4000108.1C313 C314 L328 F330 L351 L358 V363C313-I336 CarbonylContact C-O 3.58Å; C313-I336 VanDerWaalsContact CA-O 3.23Å; C313-I336 WeakPolarHBondContact CA-O 3.43Å; C313-I336 WeakPolarHBondContact CB-O 3.44Å; C314-I336 PolarHBondContact N-O 2.84Å; C314-I336 PolarHBondContact O-N 2.86Å; L328-I336 HydrophobicContact CD2-CD1 4.47Å; L328-I336 HydrophobicContact CD2-CG2 3.82Å; F330-I336 HydrophobicContact CB-CD1 3.86Å; F330-I336 HydrophobicContact CD1-CD1 3.64Å; F330-I336 HydrophobicContact CD2-CD1 4Å; F330-I336 HydrophobicContact CE1-CD1 4.14Å; F330-I336 HydrophobicContact CE2-CD1 4.42Å; F330-I336 HydrophobicContact CG-CD1 3.56Å; F330-I336 HydrophobicContact CZ-CD1 4.48Å; I336-L351 HydrophobicContact CG1-CB 4.47Å; I336-L351 HydrophobicContact CG1-CD1 4.29Å; I336-L358 HydrophobicContact CD1-CD1 4.38Å; I336-L358 HydrophobicContact CG2-CD2 4.09Å; I336-V363 HydrophobicContact CD1-CG1 4.48Å
337V89.9Confident86.6Confident30 Ų3054.2 Ų54.218%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-78.6125.3175.9-178.80000108.3L308 Q311 G349 T350L308-V337 HydrophobicContact CD2-CG2 4.2Å; Q311-V337 HydrophobicContact CG-CG1 4.14Å; V337-G349 CarbonylContact O-C 3.52Å; V337-G349 WeakPolarHBondContact O-CA 3.37Å; V337-T350 PolarHBondContact N-O 3.28Å; V337-T350 PolarHBondContact O-N 2.93Å
338L88.6Confident86.7Confident6 Ų656.9 Ų56.93%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-83.5125.3177.6-67.8174000109.3P312 C314 Y347 L358 V365 L369P312-L338 HydrophobicContact CB-CB 3.93Å; P312-L338 PolarHBondContact O-N 2.81Å; C314-L338 HydrophobicContact CB-CD1 4.1Å; C314-L338 HydrophobicContact CB-CD2 4.26Å; C314-L338 HydrophobicContact CB-CG 4.18Å; L338-Y347 HydrophobicContact CD2-CD1 4.15Å; L338-Y347 HydrophobicContact CD2-CD2 4.24Å; L338-Y347 HydrophobicContact CD2-CG 3.8Å; L338-L358 HydrophobicContact CD2-CD1 4.49Å; L338-V365 HydrophobicContact CD1-CG1 4.19Å; L338-V365 HydrophobicContact CD1-CG2 4.32Å; L338-L369 HydrophobicContact CB-CD1 4.41Å; L338-L369 HydrophobicContact CB-CD2 3.93Å; L338-L369 HydrophobicContact CB-CG 4.05Å
339T84.9Confident86.8Confident75 Ų7556.7 Ų56.746%0.4633%0.325SS..EExtended strand (participates in β ladder)trans-102.2-26.5176.552.30000111.9E348T339-E348 PolarHBondContact N-O 2.87Å; T339-E348 VanDerWaalsContact OG1-C 3.28Å; T339-E348 WeakPolarHBondContact OG1-CG 3.45Å; T339-E348 PolarHBondContact OG1-O 3.08Å; T339-E348 VanDerWaalsContact OG1-O 3.12Å
340G85Confident86.8Confident16 Ų1655.4 Ų55.417%0.16532%0.319CS..EExtended strand (participates in β ladder)trans-171.1167.8179.500000113.4E348G340-E348 PolarHBondContact N-O 2.82Å; G340-E348 PolarHBondContact O-N 3.08Å
341Q86.7Confident86.6Confident103 Ų10356.4 Ų56.448%0.48133%0.325SS..EExtended strand (participates in β ladder)trans-115121.8167.9-176.3170.21.600107.9D343 Y347 L369Q341-D343 WeakPolarHBondContact CG-O 3.37Å; Q341-D343 PolarHBondContact NE2-O 3.02Å; Q341-Y347 HydrophobicContact CB-CD1 3.83Å; Q341-Y347 HydrophobicContact CB-CE1 3.85Å; Q341-Y347 HydrophobicContact CG-CD1 3.86Å; Q341-Y347 HydrophobicContact CG-CE1 3.72Å; Q341-L369 HydrophobicContact CB-CD1 3.96Å
342V85.3Confident86.4Confident85 Ų8556.9 Ų56.952%0.51534%0.339SS..  trans-81.6-47.6-178.1-178.80000109.8W346 E348 L357V342-W346 HydrophobicContact CB-CB 4.41Å; V342-W346 PolarHBondContact N-O 2.85Å; V342-W346 VanDerWaalsContact N-O 3.11Å; V342-E348 HydrophobicContact CG2-CB 4.32Å; V342-L357 HydrophobicContact CG2-CD2 3.64Å
343D82.9Confident85.9Confident74 Ų7460.1 Ų60.140%0.39635%0.354SS..SBendtrans-156.2-165.7177.762.930.3000111.7Q341 D345 W346Q341-D343 WeakPolarHBondContact CG-O 3.37Å; Q341-D343 PolarHBondContact NE2-O 3.02Å; D343-D345 PolarHBondContact O-N 3.11Å; D343-D345 WeakPolarHBondContact OD1-CA 3.4Å; D343-D345 PolarHBondContact OD1-N 3.12Å; D343-W346 PolarHBondContact N-O 2.85Å; D343-W346 PolarHBondContact OD1-N 2.89Å
344G80.8Confident85.9Confident58 Ų5865 Ų6560%0.59836%0.358SS*.SBendtrans-69.1-15.3-179.300000115.1
345D86.5Confident85.9Confident117 Ų11765.2 Ų65.263%0.62637%0.367SS*.SBendtrans-113.8-18.2-173.2-65-46.2000112.6D343 V360D343-D345 PolarHBondContact O-N 3.11Å; D343-D345 WeakPolarHBondContact OD1-CA 3.4Å; D343-D345 PolarHBondContact OD1-N 3.12Å; D345-V360 VanDerWaalsContact C-CG2 3.44Å; D345-V360 WeakPolarHBondContact O-CG2 3.34Å; D345-V360 PolarHBondContact O-N 2.98Å
346W89.2Confident86Confident73 Ų7363.1 Ų63.128%0.27736%0.356SS..EExtended strand (participates in β ladder)trans-129.9131.2-174.5-63.893.9000115.2E327 V342 D343 L357 P359E327-W346 HydrophobicContact CG-CH2 4.33Å; E327-W346 HydrophobicContact CG-CZ3 4.24Å; V342-W346 HydrophobicContact CB-CB 4.41Å; V342-W346 PolarHBondContact N-O 2.85Å; V342-W346 VanDerWaalsContact N-O 3.11Å; D343-W346 PolarHBondContact N-O 2.85Å; D343-W346 PolarHBondContact OD1-N 2.89Å; W346-L357 HydrophobicContact CE3-CB 3.75Å; W346-L357 HydrophobicContact CZ3-CB 4.1Å; W346-P359 HydrophobicContact CE3-CG 4.38Å; W346-P359 HydrophobicContact CH2-CG 4.14Å; W346-P359 HydrophobicContact CZ3-CG 3.83Å
347Y89.7Confident86Confident31 Ų3165 Ų6512%0.12237%0.366CS..EExtended strand (participates in β ladder)trans-99.6151.5164-74.9-56.5000110.9L338 Q341 L357 L358 V360 V363 V365 L369L338-Y347 HydrophobicContact CD2-CD1 4.15Å; L338-Y347 HydrophobicContact CD2-CD2 4.24Å; L338-Y347 HydrophobicContact CD2-CG 3.8Å; Q341-Y347 HydrophobicContact CB-CD1 3.83Å; Q341-Y347 HydrophobicContact CB-CE1 3.85Å; Q341-Y347 HydrophobicContact CG-CD1 3.86Å; Q341-Y347 HydrophobicContact CG-CE1 3.72Å; Y347-L357 CarbonylContact O-C 3.54Å; Y347-L357 WeakPolarHBondContact O-CA 3.45Å; Y347-L358 PolarHBondContact N-O 2.89Å; Y347-L358 PolarHBondContact O-N 2.85Å; Y347-V360 HydrophobicContact CD2-CB 4.25Å; Y347-V360 HydrophobicContact CD2-CG2 3.62Å; Y347-V360 HydrophobicContact CE2-CB 4.06Å; Y347-V360 HydrophobicContact CE2-CG1 3.87Å; Y347-V360 HydrophobicContact CE2-CG2 3.58Å; Y347-V360 HydrophobicContact CG-CG2 4.19Å; Y347-V363 HydrophobicContact CD2-CG2 3.88Å; Y347-V363 HydrophobicContact CE2-CG2 4.26Å; Y347-V365 HydrophobicContact CE2-CG2 3.83Å; Y347-L369 HydrophobicContact CD1-CD1 4.35Å; Y347-L369 HydrophobicContact CE1-CD1 4.43Å
348E90.8Very high86.2Confident88 Ų8863.5 Ų63.541%0.41136%0.357SS..EExtended strand (participates in β ladder)trans-103.3133.2165.6-166.3-178.3-175.800108.4T339 G340 V342 L357T339-E348 PolarHBondContact N-O 2.87Å; T339-E348 VanDerWaalsContact OG1-C 3.28Å; T339-E348 WeakPolarHBondContact OG1-CG 3.45Å; T339-E348 PolarHBondContact OG1-O 3.08Å; T339-E348 VanDerWaalsContact OG1-O 3.12Å; G340-E348 PolarHBondContact N-O 2.82Å; G340-E348 PolarHBondContact O-N 3.08Å; V342-E348 HydrophobicContact CG2-CB 4.32Å; E348-L357 HydrophobicContact CB-CD2 4.27Å; E348-L357 HydrophobicContact CG-CD2 4.41Å
349G90.2Very high86.2Confident0 Ų063.8 Ų63.80%036%0.36CS..EExtended strand (participates in β ladder)trans-156.7167.8-17900000114.2V337 S355 G356V337-G349 CarbonylContact O-C 3.52Å; V337-G349 WeakPolarHBondContact O-CA 3.37Å; G349-S355 WeakPolarHBondContact O-CA 3.11Å; G349-G356 PolarHBondContact N-O 3.16Å; G349-G356 VanDerWaalsContact N-O 3.11Å; G349-G356 PolarHBondContact O-N 2.95Å
350T87.7Confident86.5Confident37 Ų3762.2 Ų62.223%0.22735%0.35CS..EExtended strand (participates in β ladder)trans-123.7130.1-176.4-52.60000109.9V337 G352 R354 S355V337-T350 PolarHBondContact N-O 3.28Å; V337-T350 PolarHBondContact O-N 2.93Å; T350-G352 WeakPolarHBondContact CG2-O 3.31Å; T350-R354 CarbonylContact C-O 3.56Å; T350-R354 WeakPolarHBondContact CA-O 3.46Å; T350-R354 WeakPolarHBondContact CG2-O 2.93Å; T350-S355 WeakPolarHBondContact CG2-OG 3.46Å; T350-S355 PolarHBondContact OG1-OG 3.3Å
351L84.6Confident86.7Confident27 Ų2765.4 Ų65.414%0.14137%0.37CS..EExtended strand (participates in β ladder)trans-123.8102173.6-178.268.5000108.5L328 F330 E334 V335 I336 E353 R354L328-L351 HydrophobicContact CD1-CB 4.44Å; L328-L351 HydrophobicContact CD2-CB 4Å; F330-L351 HydrophobicContact CB-CD2 4.02Å; E334-L351 HydrophobicContact CB-CD1 4.48Å; E334-L351 VanDerWaalsContact OE2-CD2 3.31Å; E334-L351 WeakPolarHBondContact OE2-CD2 3.41Å; V335-L351 WeakPolarHBondContact O-CD1 3.28Å; I336-L351 HydrophobicContact CG1-CB 4.47Å; I336-L351 HydrophobicContact CG1-CD1 4.29Å; L351-E353 PolarHBondContact O-N 2.62Å; L351-R354 PolarHBondContact N-O 3.36Å; L351-R354 PolarHBondContact O-N 2.64Å
352G80.8Confident86.8Confident72 Ų7264.6 Ų64.674%0.74236%0.363SS*.THydrogen-bonded Turntrans66.9-122.3-17200000111.3T350T350-G352 WeakPolarHBondContact CG2-O 3.31Å
353E77.1Confident87Confident202 Ų20261.1 Ų61.194%0.94434%0.342SS*.THydrogen-bonded Turntrans-91.3-3.8176.9-62.3-170.1161.100113.5L351L351-E353 PolarHBondContact O-N 2.62Å
354R81.3Confident87.3Confident148 Ų14861.9 Ų61.956%0.55834%0.343SS*.EExtended strand (participates in β ladder)trans-99.4132.9-176.9-61.7-175.9-63-144.92.7110.3L328 T350 L351L328-R354 HydrophobicContact CD1-CB 3.75Å; T350-R354 CarbonylContact C-O 3.56Å; T350-R354 WeakPolarHBondContact CA-O 3.46Å; T350-R354 WeakPolarHBondContact CG2-O 2.93Å; L351-R354 PolarHBondContact N-O 3.36Å; L351-R354 PolarHBondContact O-N 2.64Å
355S86.1Confident87.6Confident75 Ų7561.8 Ų61.852%0.52433%0.33SS..EExtended strand (participates in β ladder)trans-124.9145.1174.6-57.20000109.9G349 T350G349-S355 WeakPolarHBondContact O-CA 3.11Å; T350-S355 WeakPolarHBondContact CG2-OG 3.46Å; T350-S355 PolarHBondContact OG1-OG 3.3Å
356G90Very high87.6Confident8 Ų859.9 Ų59.98%0.08232%0.32CS..EExtended strand (participates in β ladder)trans178.7-177179.200000112.4D326 G349D326-G356 WeakPolarHBondContact O-CA 3.41Å; G349-G356 PolarHBondContact N-O 3.16Å; G349-G356 VanDerWaalsContact N-O 3.11Å; G349-G356 PolarHBondContact O-N 2.95Å
357L89.1Confident87.4Confident39 Ų3958 Ų5820%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-83.5139.1-179.6-59.7177000111.4D326 E327 L328 V342 W346 Y347 E348D326-L357 WeakPolarHBondContact O-CG 3.45Å; D326-L357 PolarHBondContact O-N 3.39Å; E327-L357 WeakPolarHBondContact CA-O 3.42Å; L328-L357 PolarHBondContact N-O 3.07Å; V342-L357 HydrophobicContact CG2-CD2 3.64Å; W346-L357 HydrophobicContact CE3-CB 3.75Å; W346-L357 HydrophobicContact CZ3-CB 4.1Å; Y347-L357 CarbonylContact O-C 3.54Å; Y347-L357 WeakPolarHBondContact O-CA 3.45Å; E348-L357 HydrophobicContact CB-CD2 4.27Å; E348-L357 HydrophobicContact CG-CD2 4.41Å
358L92.3Very high87.1Confident0 Ų061 Ų610%034%0.34CS..EExtended strand (participates in β ladder)trans-131.7139.417656.7130.3000111.4L328 F330 I336 L338 Y347 V363L328-L358 HydrophobicContact CD2-CD2 4.28Å; F330-L358 HydrophobicContact CD1-CB 4.41Å; F330-L358 HydrophobicContact CE1-CB 3.47Å; F330-L358 VanDerWaalsContact CE1-CB 3.47Å; F330-L358 HydrophobicContact CZ-CB 3.99Å; I336-L358 HydrophobicContact CD1-CD1 4.38Å; I336-L358 HydrophobicContact CG2-CD2 4.09Å; L338-L358 HydrophobicContact CD2-CD1 4.49Å; Y347-L358 PolarHBondContact N-O 2.89Å; Y347-L358 PolarHBondContact O-N 2.85Å; L358-V363 HydrophobicContact CD1-CB 4.15Å; L358-V363 HydrophobicContact CD1-CG1 3.44Å; L358-V363 VanDerWaalsContact CD1-CG1 3.44Å; L358-V363 HydrophobicContact CD1-CG2 3.73Å
359P90.3Very high86.7Confident12 Ų1258.8 Ų58.88%0.07833%0.331CS..EExtended strand (participates in β ladder)trans-69.5134.2-179.9-17.129.5000112.2F320 W346 S361 Y362F320-P359 HydrophobicContact CD2-CG 3.95Å; F320-P359 HydrophobicContact CE2-CG 3.65Å; F320-P359 HydrophobicContact CZ-CG 4.04Å; W346-P359 HydrophobicContact CE3-CG 4.38Å; W346-P359 HydrophobicContact CH2-CG 4.14Å; W346-P359 HydrophobicContact CZ3-CG 3.83Å; P359-S361 PolarHBondContact O-N 3.26Å; P359-Y362 HydrophobicContact CB-CD2 3.97Å; P359-Y362 HydrophobicContact CB-CG 4.4Å; P359-Y362 HydrophobicContact CG-CD2 4.29Å; P359-Y362 HydrophobicContact CG-CG 4.46Å; P359-Y362 PolarHBondContact O-N 3.39Å
360V89.9Confident86Confident41 Ų4163.7 Ų63.725%0.24836%0.362CS..G310 helixtrans-56.6-35.1176.7174.50000111.5D345 Y347 Y362 V363D345-V360 VanDerWaalsContact C-CG2 3.44Å; D345-V360 WeakPolarHBondContact O-CG2 3.34Å; D345-V360 PolarHBondContact O-N 2.98Å; Y347-V360 HydrophobicContact CD2-CB 4.25Å; Y347-V360 HydrophobicContact CD2-CG2 3.62Å; Y347-V360 HydrophobicContact CE2-CB 4.06Å; Y347-V360 HydrophobicContact CE2-CG1 3.87Å; Y347-V360 HydrophobicContact CE2-CG2 3.58Å; Y347-V360 HydrophobicContact CG-CG2 4.19Å; V360-Y362 PolarHBondContact O-N 3.46Å; V360-V363 PolarHBondContact O-N 2.87Å
361S90.6Very high84.8Confident84 Ų8469.8 Ų69.859%0.58739%0.392SS*.G310 helixtrans-71.6-10.1-179.255.30000114.8P359P359-S361 PolarHBondContact O-N 3.26Å
362Y88.2Confident83.3Confident86 Ų8677.9 Ų77.934%0.33745%0.447SS..G310 helixtrans-104.3-2-177.6-82.9-118.1000113I317 Y318 F320 P359 V360I317-Y362 VanDerWaalsContact CG1-C 3.41Å; I317-Y362 WeakPolarHBondContact CG1-O 3.35Å; I317-Y362 PolarHBondContact N-O 2.88Å; Y318-Y362 HydrophobicContact CD2-CD1 4.45Å; Y318-Y362 PolarHBondContact N-O 3.26Å; F320-Y362 HydrophobicContact CB-CD1 4.08Å; F320-Y362 HydrophobicContact CD2-CD1 4.1Å; F320-Y362 HydrophobicContact CD2-CE1 4.16Å; P359-Y362 HydrophobicContact CB-CD2 3.97Å; P359-Y362 HydrophobicContact CB-CG 4.4Å; P359-Y362 HydrophobicContact CG-CD2 4.29Å; P359-Y362 HydrophobicContact CG-CG 4.46Å; P359-Y362 PolarHBondContact O-N 3.39Å; V360-Y362 PolarHBondContact O-N 3.46Å
363V88.1Confident83.5Confident12 Ų1278.2 Ų78.27%0.07343%0.432CS..EExtended strand (participates in β ladder)trans-134.3148.1-175.8-590000112.7C314 R315 F330 I336 Y347 L358 V360C314-V363 HydrophobicContact CB-CB 4Å; C314-V363 HydrophobicContact CB-CG2 4.14Å; R315-V363 CarbonylContact O-C 3.59Å; R315-V363 WeakPolarHBondContact O-CA 3.2Å; F330-V363 HydrophobicContact CE2-CG1 4.18Å; F330-V363 HydrophobicContact CZ-CG1 4.12Å; I336-V363 HydrophobicContact CD1-CG1 4.48Å; Y347-V363 HydrophobicContact CD2-CG2 3.88Å; Y347-V363 HydrophobicContact CE2-CG2 4.26Å; L358-V363 HydrophobicContact CD1-CB 4.15Å; L358-V363 HydrophobicContact CD1-CG1 3.44Å; L358-V363 VanDerWaalsContact CD1-CG1 3.44Å; L358-V363 HydrophobicContact CD1-CG2 3.73Å; V360-V363 PolarHBondContact O-N 2.87Å
364E89.9Confident83.8Confident90 Ų9071.6 Ų71.642%0.42141%0.405SS..EExtended strand (participates in β ladder)trans-106115.7171.7-179.8-176.7-16200108.6C314 R315 I317 L366C314-E364 CarbonylContact C-O 3.47Å; C314-E364 VanDerWaalsContact CA-O 3.24Å; C314-E364 WeakPolarHBondContact CA-O 3.35Å; C314-E364 WeakPolarHBondContact CB-O 3.47Å; R315-E364 IonicContact CZ-OE2 2.69Å; R315-E364 PolarHBondContact N-O 3.06Å; R315-E364 IonicContact NE-OE2 3.04Å; R315-E364 IonicContact NH2-OE1 3.52Å; R315-E364 IonicContact NH2-OE2 3.93Å; R315-E364 PolarHBondContact NH2-OE2 2.9Å; R315-E364 PolarHBondContact O-N 2.86Å; I317-E364 HydrophobicContact CG2-CB 3.73Å; E364-L366 PolarHBondContact O-N 3.06Å
365V88.3Confident83.9Confident55 Ų5567.4 Ų67.433%0.33340%0.396SS..EExtended strand (participates in β ladder)trans-67.5120.7179.1179.90000109.8L338 Y347 P368L338-V365 HydrophobicContact CD1-CG1 4.19Å; L338-V365 HydrophobicContact CD1-CG2 4.32Å; Y347-V365 HydrophobicContact CE2-CG2 3.83Å; V365-P368 HydrophobicContact CG1-CB 4.23Å
366L85.3Confident83.8Confident77 Ų7766.9 Ų66.940%0.40339%0.389SS..EExtended strand (participates in β ladder)trans-91-44177-59.8-177.3000110.9C313 R315 E364C313-L366 PolarHBondContact O-N 3.09Å; R315-L366 HydrophobicContact CB-CD1 4.04Å; R315-L366 HydrophobicContact CB-CD2 4.22Å; R315-L366 HydrophobicContact CB-CG 4.13Å; E364-L366 PolarHBondContact O-N 3.06Å
367V85.9Confident83.4Confident34 Ų3470.6 Ų70.621%0.20641%0.408CS..EExtended strand (participates in β ladder)trans-130.4116.6175.6-178.10000107.4L309 P312 C313L309-V367 HydrophobicContact CD2-CG2 4.33Å; P312-V367 CarbonylContact C-O 3.57Å; P312-V367 VanDerWaalsContact CA-O 3.29Å; P312-V367 WeakPolarHBondContact CA-O 3.33Å; C313-V367 PolarHBondContact N-O 3.28Å; C313-V367 PolarHBondContact O-N 3.18Å
368P83.1Confident83.1Confident94 Ų9472.7 Ų72.761%0.6142%0.422SS*.PPolyproline II helixtrans-69.5155-17729.1-34.5000111.8V365V365-P368 HydrophobicContact CG1-CB 4.23Å
369L82.6Confident82.4Confident42 Ų4277.9 Ų77.922%0.2245%0.452CS..PPolyproline II helixtrans-60.5140.3168.8-71.8159.3000109.7P312 L338 Q341 Y347 L371P312-L369 HydrophobicContact CB-CD2 3.69Å; P312-L369 HydrophobicContact CB-CG 4.06Å; P312-L369 HydrophobicContact CG-CD2 4Å; L338-L369 HydrophobicContact CB-CD1 4.41Å; L338-L369 HydrophobicContact CB-CD2 3.93Å; L338-L369 HydrophobicContact CB-CG 4.05Å; Q341-L369 HydrophobicContact CB-CD1 3.96Å; Y347-L369 HydrophobicContact CD1-CD1 4.35Å; Y347-L369 HydrophobicContact CE1-CD1 4.43Å; L369-L371 PolarHBondContact O-N 3.06Å
370P74.5Confident81.8Confident103 Ų10383 Ų8367%0.66948%0.48SS*.PPolyproline II helixtrans-59.4134.1173.224.8-32000109.4
371L63.2Low81.1Confident164 Ų16486.5 Ų86.586%0.85950%0.5SS*.PPolyproline II helixtrans-63.9136.9176.5-63.3170.3000109.1L369L369-L371 PolarHBondContact O-N 3.06Å
372P53.8Low80.2Confident197 Ų19786.7 Ų86.7100%1.27949%0.492SS*.  trans-64.80177.926-33.2000113.6

Retrieved 372 of 372 residues in 2538.2 ms (Link to these results)

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