A0A096NF20_PAPAN Loading...

PIN2 (TERF1) interacting telomerase inhibitor 1

AlphaFold DB , UniProt , Accession A0A096NF20, Species PAPAN (Papio anubis, Olive baboon), Gene PINX1, Length 328 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
1M51.1Low71.6Confident247 Ų247188 Ų188100%1.21789%0.891SS**  0101.50-69.8157.597.900108
2S59.8Low72.2Confident118 Ų118189.1 Ų189.183%0.82589%0.89SS**  trans-15178.2178.157.40000109.1
3M56.1Low72.9Confident186 Ų186190.5 Ų190.592%0.91688%0.882SS**  trans-136.625.9-173.1-74.8-91.2-158.500112.2
4L71Confident73.4Confident178 Ų178181.8 Ų181.893%0.93286%0.859SS**  trans-12214.9-174-95.389.5000115.4
5A74.3Confident74.1Confident97 Ų97180.2 Ų180.280%0.80287%0.866SS**SBendtrans-117.7115.6173.600000110.1
6E75.6Confident74.9Confident175 Ų175171.6 Ų171.682%0.81883%0.826SS**  trans-60.1141.8174.7-167.1177.3178.900110.6R8E6-R8 PolarHBondContact O-N 3.38Å; E6-R8 VanDerWaalsContact O-N 3.11Å
7R79.6Confident75.4Confident223 Ų223167.5 Ų167.584%0.84282%0.816SS**  trans-64.9114.6-177.9-174176.2-175.4170.52.1109.5R9R7-R9 PolarHBondContact O-N 3.35Å
8R78.4Confident75.8Confident246 Ų246167.2 Ų167.293%0.92881%0.813SS**  trans-54.5105.9178.3-59.6-17888.6157.25.8110.5E6E6-R8 PolarHBondContact O-N 3.38Å; E6-R8 VanDerWaalsContact O-N 3.11Å
9R82.3Confident76.3Confident223 Ų223163.2 Ų163.284%0.84280%0.796SS**  trans-90.2129.4172.7-69.7-176.9178178.70.2108.7R7 Q11R7-R9 PolarHBondContact O-N 3.35Å; R9-Q11 PolarHBondContact O-N 2.61Å
10K79.6Confident76.9Confident211 Ų211158 Ų15892%0.91777%0.774SS**  trans-79.9112170.1-66.6-173.3177.4-1750107.8K12K10-K12 PolarHBondContact O-N 3.45Å
11Q79.9Confident77.3Confident164 Ų164153.9 Ų153.977%0.76677%0.766SS**PPolyproline II helixtrans-72.4122.3172.3-169.6172.2-12.300108.3R9 W13R9-Q11 PolarHBondContact O-N 2.61Å; Q11-W13 PolarHBondContact O-N 2.97Å
12K79.1Confident78.9Confident201 Ų201150.1 Ų150.187%0.87474%0.738SS**PPolyproline II helixtrans-75.2116.3170.4-71.2-179.6176.2179.40107.1K10K10-K12 PolarHBondContact O-N 3.45Å
13W80.6Confident80Confident207 Ų207148.2 Ų148.278%0.78473%0.725SS**PPolyproline II helixtrans-76.6140.5169-65.11.8000108.1Q11Q11-W13 PolarHBondContact O-N 2.97Å
14A80.5Confident81.4Confident69 Ų69144.3 Ų144.357%0.5771%0.708SS**PPolyproline II helixtrans-61153.6171.600000109.3D16A14-D16 PolarHBondContact O-N 3.35Å; A14-D16 VanDerWaalsContact O-N 3.15Å
15V84.1Confident82.3Confident158 Ų158138.6 Ų138.696%0.95868%0.678SS**SBendtrans-56.2-30.8179.4176.50000111.4
16D86.8Confident82.9Confident42 Ų42137.6 Ų137.623%0.22566%0.659CS.*  trans-130.192.1174.8-1750.6000110.4A14 Q18 N19 T20 A21A14-D16 PolarHBondContact O-N 3.35Å; A14-D16 VanDerWaalsContact O-N 3.15Å; D16-Q18 PolarHBondContact O-N 2.99Å; D16-Q18 PolarHBondContact OD1-N 2.69Å; D16-N19 VanDerWaalsContact CG-CA 3.47Å; D16-N19 VanDerWaalsContact CG-N 3.35Å; D16-N19 PolarHBondContact O-N 3.42Å; D16-N19 PolarHBondContact OD1-N 2.8Å; D16-N19 VanDerWaalsContact OD2-CA 3.22Å; D16-N19 WeakPolarHBondContact OD2-CA 3.12Å; D16-T20 VanDerWaalsContact CG-N 3.33Å; D16-T20 PolarHBondContact OD1-N 3.33Å; D16-T20 PolarHBondContact OD1-OG1 2.89Å; D16-T20 VanDerWaalsContact OD1-OG1 3.14Å; D16-T20 PolarHBondContact OD2-N 3.36Å; D16-T20 PolarHBondContact OD2-OG1 3.41Å; D16-A21 WeakPolarHBondContact OD2-CB 3.5Å; D16-A21 PolarHBondContact OD2-N 3.13Å
17P83.7Confident83.5Confident102 Ų102133.2 Ų133.266%0.66265%0.648SS**THydrogen-bonded Turntrans-70.4-18.7-177.827.7-33.8000113.4
18Q82.6Confident84Confident162 Ų162124.3 Ų124.376%0.75762%0.615SS**THydrogen-bonded Turntrans-103.90.6179.1-70.1-168.9-16.800113D16 T20D16-Q18 PolarHBondContact O-N 2.99Å; D16-Q18 PolarHBondContact OD1-N 2.69Å; Q18-T20 HydrophobicContact CB-CG2 3.91Å; Q18-T20 PolarHBondContact O-N 2.97Å
19N85.7Confident84.7Confident91 Ų91121 Ų12149%0.48761%0.608SS.*  trans51.634.8-177-157.917.3000113.5D16 A21 W22 S23D16-N19 VanDerWaalsContact CG-CA 3.47Å; D16-N19 VanDerWaalsContact CG-N 3.35Å; D16-N19 PolarHBondContact O-N 3.42Å; D16-N19 PolarHBondContact OD1-N 2.8Å; D16-N19 VanDerWaalsContact OD2-CA 3.22Å; D16-N19 WeakPolarHBondContact OD2-CA 3.12Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.3Å; N19-W22 VanDerWaalsContact CG-CB 3.43Å; N19-W22 WeakPolarHBondContact O-CB 3.3Å; N19-W22 PolarHBondContact O-N 3.42Å; N19-W22 VanDerWaalsContact O-N 3.14Å; N19-W22 WeakPolarHBondContact OD1-CB 3.35Å; N19-S23 PolarHBondContact O-N 3.16Å; N19-S23 VanDerWaalsContact O-N 3.16Å
20T86.6Confident85.2Confident60 Ų60112.2 Ų112.237%0.36859%0.587SS.*Hα-helixtrans-64.9-32.5178.949.80000113.2D16 Q18 W22 S23 N24D16-T20 VanDerWaalsContact CG-N 3.33Å; D16-T20 PolarHBondContact OD1-N 3.33Å; D16-T20 PolarHBondContact OD1-OG1 2.89Å; D16-T20 VanDerWaalsContact OD1-OG1 3.14Å; D16-T20 PolarHBondContact OD2-N 3.36Å; D16-T20 PolarHBondContact OD2-OG1 3.41Å; Q18-T20 HydrophobicContact CB-CG2 3.91Å; Q18-T20 PolarHBondContact O-N 2.97Å; T20-W22 PolarHBondContact O-N 3.39Å; T20-S23 WeakPolarHBondContact CA-OG 3.43Å; T20-S23 PolarHBondContact O-N 2.86Å; T20-S23 PolarHBondContact O-OG 3.1Å; T20-S23 VanDerWaalsContact O-OG 3.12Å; T20-N24 WeakPolarHBondContact O-CB 3.36Å; T20-N24 PolarHBondContact O-N 3.24Å; T20-N24 VanDerWaalsContact O-N 3.13Å; T20-N24 PolarHBondContact O-ND2 3.26Å
21A86.4Confident85.8Confident72 Ų72103.4 Ų103.460%0.59555%0.549SS*.Hα-helixtrans-62-33.8173.500000111D16 N19D16-A21 WeakPolarHBondContact OD2-CB 3.5Å; D16-A21 PolarHBondContact OD2-N 3.13Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.3Å
22W84.6Confident86.4Confident168 Ų168102.7 Ų102.764%0.63654%0.539SS*.Hα-helixtrans-75.7-42.8176-174.2-80.9000112.2N19 T20 N24 K28N19-W22 VanDerWaalsContact CG-CB 3.43Å; N19-W22 WeakPolarHBondContact O-CB 3.3Å; N19-W22 PolarHBondContact O-N 3.42Å; N19-W22 VanDerWaalsContact O-N 3.14Å; N19-W22 WeakPolarHBondContact OD1-CB 3.35Å; T20-W22 PolarHBondContact O-N 3.39Å; W22-N24 VanDerWaalsContact C-N 3.28Å; W22-N24 PolarHBondContact O-N 3.27Å; W22-K28 VanDerWaalsContact C-NZ 3.28Å; W22-K28 VanDerWaalsContact CD1-NZ 3.33Å; W22-K28 HydrophobicContact CD2-CD 4.49Å; W22-K28 HydrophobicContact CZ2-CD 4.1Å; W22-K28 PolarHBondContact O-NZ 3.48Å
23S83.2Confident87.2Confident78 Ų7897.3 Ų97.355%0.54552%0.519SS..Hα-helixtrans-68.5-26-177.563.10000113.9N19 T20N19-S23 PolarHBondContact O-N 3.16Å; N19-S23 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CA-OG 3.43Å; T20-S23 PolarHBondContact O-N 2.86Å; T20-S23 PolarHBondContact O-OG 3.1Å; T20-S23 VanDerWaalsContact O-OG 3.12Å
24N85.7Confident87.8Confident104 Ų10490.9 Ų90.956%0.55650%0.499SS*.THydrogen-bonded Turntrans-95.3-1.1-175.9-66.9-49.7000114.5T20 W22 D26T20-N24 WeakPolarHBondContact O-CB 3.36Å; T20-N24 PolarHBondContact O-N 3.24Å; T20-N24 VanDerWaalsContact O-N 3.13Å; T20-N24 PolarHBondContact O-ND2 3.26Å; W22-N24 VanDerWaalsContact C-N 3.28Å; W22-N24 PolarHBondContact O-N 3.27Å; N24-D26 PolarHBondContact O-N 3.48Å
25D89.4Confident88.4Confident57 Ų5791.6 Ų91.631%0.30549%0.491SS..  trans-84.4105.3-177.6176.812.7000111.6S27 K28 Q31D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.38Å; D25-S27 PolarHBondContact OD1-N 3.28Å; D25-S27 PolarHBondContact OD1-OG 3.02Å; D25-S27 PolarHBondContact OD2-OG 3.01Å; D25-K28 HydrophobicContact CB-CD 4.33Å; D25-K28 HydrophobicContact CB-CG 4.35Å; D25-K28 WeakPolarHBondContact OD2-CE 3.32Å; D25-K28 IonicContact OD2-NZ 2.75Å; D25-Q31 PolarHBondContact O-OE1 3.05Å
26D85.8Confident89Confident76 Ų7692.1 Ų92.141%0.40648%0.48SS..THydrogen-bonded Turntrans-74.2-11-178.3-65.1-34.7000114N24 K28 Q31 K41N24-D26 PolarHBondContact O-N 3.48Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.66Å; D26-Q31 PolarHBondContact OD1-NE2 3.05Å; D26-Q31 PolarHBondContact OD1-OE1 3.02Å; D26-K41 VanDerWaalsContact CG-NZ 3.25Å; D26-K41 WeakPolarHBondContact OD1-CE 3.37Å; D26-K41 IonicContact OD1-NZ 2.99Å; D26-K41 PolarHBondContact OD1-NZ 3.28Å; D26-K41 IonicContact OD2-NZ 3.94Å; D26-K41 PolarHBondContact OD2-NZ 3.35Å
27S88.4Confident89.3Confident83 Ų8397 Ų9758%0.5850%0.503SS*.THydrogen-bonded Turntrans-83.7-0.9-174.273.50000114.5D25 R32D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.38Å; D25-S27 PolarHBondContact OD1-N 3.28Å; D25-S27 PolarHBondContact OD1-OG 3.02Å; D25-S27 PolarHBondContact OD2-OG 3.01Å; S27-R32 WeakPolarHBondContact O-CD 3.24Å
28K90.6Very high89.7Confident36 Ų3695.3 Ų95.316%0.15751%0.505CS..  trans-73.1147-169.2-70.9-174.5174.7159.90113.8W22 D25 D26 G30 Q31 R32W22-K28 VanDerWaalsContact C-NZ 3.28Å; W22-K28 VanDerWaalsContact CD1-NZ 3.33Å; W22-K28 HydrophobicContact CD2-CD 4.49Å; W22-K28 HydrophobicContact CZ2-CD 4.1Å; W22-K28 PolarHBondContact O-NZ 3.48Å; D25-K28 HydrophobicContact CB-CD 4.33Å; D25-K28 HydrophobicContact CB-CG 4.35Å; D25-K28 WeakPolarHBondContact OD2-CE 3.32Å; D25-K28 IonicContact OD2-NZ 2.75Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.66Å; K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.29Å; K28-Q31 HydrophobicContact CB-CB 4.44Å; K28-Q31 PolarHBondContact O-N 3.14Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.34Å
29F93.1Very high90.3Very high176 Ų17690.7 Ų90.777%0.77248%0.48SS*.Hα-helixtrans-51.1-49.8177.4175.1-99.3000112.9Q31 R32 M33F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.82Å; F29-R32 PolarHBondContact O-N 3.16Å; F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 PolarHBondContact O-N 2.8Å
30G92.5Very high90.5Very high39 Ų3988.8 Ų88.840%0.40247%0.474SS..Hα-helixtrans-62.3-40.4-179.500000112.9K28 M33 L34K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.29Å; G30-M33 PolarHBondContact O-N 3.35Å; G30-L34 WeakPolarHBondContact O-CG 3.47Å; G30-L34 PolarHBondContact O-N 2.65Å
31Q92Very high90.6Very high27 Ų2791.4 Ų91.413%0.12648%0.48CS..Hα-helixtrans-68-48.9177.2176.4161.7-8.500111.9D25 D26 K28 F29 M33 L34 E35 W39D25-Q31 PolarHBondContact O-OE1 3.05Å; D26-Q31 PolarHBondContact OD1-NE2 3.05Å; D26-Q31 PolarHBondContact OD1-OE1 3.02Å; K28-Q31 HydrophobicContact CB-CB 4.44Å; K28-Q31 PolarHBondContact O-N 3.14Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.82Å; Q31-M33 PolarHBondContact O-N 3.13Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; Q31-E35 HydrophobicContact CG-CG 4.33Å; Q31-E35 VanDerWaalsContact CG-OE1 3.3Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.42Å; Q31-E35 PolarHBondContact NE2-OE1 3.12Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.94Å; Q31-W39 HydrophobicContact CG-CZ3 4.34Å
32R93.8Very high90.8Very high148 Ų14890.4 Ų90.456%0.55848%0.477SS*.Hα-helixtrans-59.7-34177-65.6-18076.1-167.65.6112.2S27 K28 F29 K36S27-R32 WeakPolarHBondContact O-CD 3.24Å; K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.34Å; F29-R32 PolarHBondContact O-N 3.16Å; R32-K36 VanDerWaalsContact O-CG 3.24Å; R32-K36 WeakPolarHBondContact O-CG 3.44Å; R32-K36 PolarHBondContact O-N 2.83Å; R32-K36 VanDerWaalsContact O-N 3.16Å
33M94.6Very high91.1Very high89 Ų8986.5 Ų86.544%0.43847%0.465SS..Hα-helixtrans-68.9-45175.2-176.463.6177.500111.6F29 G30 Q31 K36 M37F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 PolarHBondContact O-N 2.8Å; G30-M33 PolarHBondContact O-N 3.35Å; Q31-M33 PolarHBondContact O-N 3.13Å; M33-K36 PolarHBondContact O-N 3.32Å; M33-M37 HydrophobicContact CE-CE 3.54Å; M33-M37 WeakPolarHBondContact O-CG 3.09Å; M33-M37 PolarHBondContact O-N 3.14Å
34L93.6Very high91.6Very high72 Ų7283.2 Ų83.238%0.37744%0.443SS..Hα-helixtrans-63.3-43.1176.4-76.2168.2000111.7G30 Q31 K36 M37 G38 W39 L45G30-L34 WeakPolarHBondContact O-CG 3.47Å; G30-L34 PolarHBondContact O-N 2.65Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.04Å; L34-M37 CarbonylContact O-C 3.56Å; L34-M37 WeakPolarHBondContact O-CA 3.43Å; L34-M37 PolarHBondContact O-N 3.42Å; L34-G38 PolarHBondContact O-N 3.22Å; L34-W39 HydrophobicContact CB-CB 4Å; L34-W39 HydrophobicContact CB-CD2 4.1Å; L34-W39 HydrophobicContact CB-CE3 3.67Å; L34-W39 HydrophobicContact CB-CG 4.28Å; L34-W39 HydrophobicContact CB-CZ3 4.48Å; L34-W39 HydrophobicContact CD1-CE3 4.27Å; L34-W39 VanDerWaalsContact O-CB 3.29Å; L34-W39 WeakPolarHBondContact O-CB 3.29Å; L34-W39 PolarHBondContact O-N 2.93Å; L34-L45 HydrophobicContact CD2-CD2 4.34Å
35E93.8Very high91.9Very high84 Ų8483.2 Ų83.239%0.39344%0.442SS..Hα-helixtrans-60.7-40.9177.2-73.1172.8-177.600112.4Q31 M37 G38 W39Q31-E35 HydrophobicContact CG-CG 4.33Å; Q31-E35 VanDerWaalsContact CG-OE1 3.3Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.42Å; Q31-E35 PolarHBondContact NE2-OE1 3.12Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.94Å; E35-M37 PolarHBondContact O-N 3.04Å; E35-G38 PolarHBondContact O-N 3.15Å; E35-W39 WeakPolarHBondContact CA-O 3.32Å; E35-W39 HydrophobicContact CG-CE3 4.45Å
36K95.3Very high92Very high168 Ų16882.7 Ų82.773%0.7345%0.45SS*.Hα-helixtrans-62-28.5173.6-77.5175.7178.1-169.90113.5R32 M33 L34R32-K36 VanDerWaalsContact O-CG 3.24Å; R32-K36 WeakPolarHBondContact O-CG 3.44Å; R32-K36 PolarHBondContact O-N 2.83Å; R32-K36 VanDerWaalsContact O-N 3.16Å; M33-K36 PolarHBondContact O-N 3.32Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.04Å
37M93.6Very high92.3Very high144 Ų14483.7 Ų83.771%0.70947%0.469SS*.THydrogen-bonded Turntrans-86.36.7176.7-64.6-65.7-17800112.8M33 L34 E35M33-M37 HydrophobicContact CE-CE 3.54Å; M33-M37 WeakPolarHBondContact O-CG 3.09Å; M33-M37 PolarHBondContact O-N 3.14Å; L34-M37 CarbonylContact O-C 3.56Å; L34-M37 WeakPolarHBondContact O-CA 3.43Å; L34-M37 PolarHBondContact O-N 3.42Å; E35-M37 PolarHBondContact O-N 3.04Å
38G92.9Very high92.4Very high68 Ų6887.5 Ų87.570%0.70148%0.478SS*.THydrogen-bonded Turntrans91.16.2176.600000114.8L34 E35L34-G38 PolarHBondContact O-N 3.22Å; E35-G38 PolarHBondContact O-N 3.15Å
39W93.9Very high92.4Very high65 Ų6590.5 Ų90.525%0.24649%0.493CS..  trans-74.3147.6170.2-17873.5000110.5Q31 L34 E35 K43 L45Q31-W39 HydrophobicContact CG-CZ3 4.34Å; L34-W39 HydrophobicContact CB-CB 4Å; L34-W39 HydrophobicContact CB-CD2 4.1Å; L34-W39 HydrophobicContact CB-CE3 3.67Å; L34-W39 HydrophobicContact CB-CG 4.28Å; L34-W39 HydrophobicContact CB-CZ3 4.48Å; L34-W39 HydrophobicContact CD1-CE3 4.27Å; L34-W39 VanDerWaalsContact O-CB 3.29Å; L34-W39 WeakPolarHBondContact O-CB 3.29Å; L34-W39 PolarHBondContact O-N 2.93Å; E35-W39 WeakPolarHBondContact CA-O 3.32Å; E35-W39 HydrophobicContact CG-CE3 4.45Å; W39-K43 PolarHBondContact NE1-O 3.17Å; W39-L45 VanDerWaalsContact CD1-CD2 3.47Å; W39-L45 HydrophobicContact CG-CD2 4.08Å
40S90.9Very high92.5Very high50 Ų5088.5 Ų88.535%0.3549%0.486SS..  trans-132.3149173.650.20000111.1G42 K43S40-G42 PolarHBondContact O-N 2.76Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 3.4Å; S40-K43 WeakPolarHBondContact OG-CD 3.42Å; S40-K43 WeakPolarHBondContact OG-CE 3.33Å; S40-K43 WeakPolarHBondContact OG-CG 3.48Å
41K89.3Confident92.5Very high116 Ų11688 Ų8850%0.50448%0.48SS..THydrogen-bonded Turntrans-56125.6-177-173.8172.6-177.8168.30110.5D26D26-K41 VanDerWaalsContact CG-NZ 3.25Å; D26-K41 WeakPolarHBondContact OD1-CE 3.37Å; D26-K41 IonicContact OD1-NZ 2.99Å; D26-K41 PolarHBondContact OD1-NZ 3.28Å; D26-K41 IonicContact OD2-NZ 3.94Å; D26-K41 PolarHBondContact OD2-NZ 3.35Å
42G88.8Confident92.6Very high51 Ų5191 Ų9153%0.52651%0.51SS..THydrogen-bonded Turntrans96.4-12-179.600000114.8S40S40-G42 PolarHBondContact O-N 2.76Å
43K92.2Very high92.4Very high86 Ų8688.2 Ų88.237%0.37451%0.509SS..PPolyproline II helixtrans-88.5144175.7-62.4-163.5168.7-148.90112.4W39 S40 E49W39-K43 PolarHBondContact NE1-O 3.17Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 3.4Å; S40-K43 WeakPolarHBondContact OG-CD 3.42Å; S40-K43 WeakPolarHBondContact OG-CE 3.33Å; S40-K43 WeakPolarHBondContact OG-CG 3.48Å; K43-E49 VanDerWaalsContact CD-CD 3.48Å; K43-E49 HydrophobicContact CD-CG 4.49Å; K43-E49 VanDerWaalsContact CD-OE1 3.31Å; K43-E49 WeakPolarHBondContact CD-OE1 3.15Å; K43-E49 VanDerWaalsContact CD-OE2 3.32Å; K43-E49 WeakPolarHBondContact CD-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.69Å; K43-E49 PolarHBondContact NZ-OE1 3.18Å; K43-E49 IonicContact NZ-OE2 3.78Å; K43-E49 PolarHBondContact NZ-OE2 2.82Å
44G92.9Very high92.2Very high9 Ų989.9 Ų89.99%0.09352%0.52CS..PPolyproline II helixtrans-67.7154169.900000111.8E49 G51G44-E49 WeakPolarHBondContact CA-O 2.99Å; G44-E49 WeakPolarHBondContact O-CA 3.22Å; G44-G51 WeakPolarHBondContact CA-O 3.44Å
45L91.5Very high92Very high103 Ų10393.3 Ų93.354%0.53953%0.534SS..SBendtrans-78.9151.6170.8-67.6171.7000110.7L34 W39 G51L34-L45 HydrophobicContact CD2-CD2 4.34Å; W39-L45 VanDerWaalsContact CD1-CD2 3.47Å; W39-L45 HydrophobicContact CG-CD2 4.08Å; L45-G51 VanDerWaalsContact O-CA 3.22Å; L45-G51 WeakPolarHBondContact O-CA 3.22Å; L45-G51 PolarHBondContact O-N 3.39Å
46G92.6Very high91.9Very high46 Ų4696.9 Ų96.947%0.47455%0.554SS.*SBendtrans121.2165.4177.100000113.2Q48 E49G46-Q48 PolarHBondContact O-N 3.14Å; G46-E49 PolarHBondContact O-N 3.45Å
47A91.4Very high91.7Very high97 Ų9796.3 Ų96.380%0.80255%0.552SS**THydrogen-bonded Turntrans-60.9-28.8-174.400000114.4
48Q91.4Very high91.5Very high164 Ų16495.5 Ų95.577%0.76655%0.554SS**THydrogen-bonded Turntrans-116.221.1175.8-63.3-64.7-47.600111.1G46 Q50G46-Q48 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact C-OE1 3.32Å; Q48-Q50 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact O-N 3.14Å
49E91Very high91.2Very high99 Ų99101.3 Ų101.346%0.46356%0.563SS.*SBendtrans60.224.8179.8-51.1174.9171.300113.3K43 G44 G46 G51K43-E49 VanDerWaalsContact CD-CD 3.48Å; K43-E49 HydrophobicContact CD-CG 4.49Å; K43-E49 VanDerWaalsContact CD-OE1 3.31Å; K43-E49 WeakPolarHBondContact CD-OE1 3.15Å; K43-E49 VanDerWaalsContact CD-OE2 3.32Å; K43-E49 WeakPolarHBondContact CD-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.69Å; K43-E49 PolarHBondContact NZ-OE1 3.18Å; K43-E49 IonicContact NZ-OE2 3.78Å; K43-E49 PolarHBondContact NZ-OE2 2.82Å; G44-E49 WeakPolarHBondContact CA-O 2.99Å; G44-E49 WeakPolarHBondContact O-CA 3.22Å; G46-E49 PolarHBondContact O-N 3.45Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 3.48Å
50Q93.6Very high90.9Very high134 Ų134103.6 Ų103.663%0.62658%0.584SS**  trans-76.8-7.5-171.971.7-78.4-6.900115.4Q48Q48-Q50 VanDerWaalsContact C-OE1 3.32Å; Q48-Q50 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact O-N 3.14Å
51G94.1Very high90.7Very high28 Ų28106.2 Ų106.229%0.28959%0.589SS.*SBendtrans-69.3152.1179.600000112.3G44 L45 E49 T53G44-G51 WeakPolarHBondContact CA-O 3.44Å; L45-G51 VanDerWaalsContact O-CA 3.22Å; L45-G51 WeakPolarHBondContact O-CA 3.22Å; L45-G51 PolarHBondContact O-N 3.39Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 3.48Å; G51-T53 PolarHBondContact O-N 3.22Å
52A92.4Very high90.6Very high91 Ų91106.9 Ų106.975%0.75260%0.598SS**  trans-64.4134.3173.900000110.9D54A52-D54 VanDerWaalsContact C-N 3.34Å
53T91.1Very high90.4Very high89 Ų89109.7 Ų109.755%0.54660%0.601SS.*SBendtrans-71.9-32.3175.6-47.20000111.8G51G51-T53 PolarHBondContact O-N 3.22Å
54D89.6Confident90.1Very high124 Ų124115.2 Ų115.266%0.66363%0.628SS**SBendtrans-99149.5-178.6-70.9-30.2000112A52A52-D54 VanDerWaalsContact C-N 3.34Å
55H88.9Confident89.6Confident143 Ų143119.3 Ų119.366%0.66265%0.647SS**PPolyproline II helixtrans-71.6152.8172.761.7-84.6000111.6K57H55-K57 PolarHBondContact O-N 3.1Å
56I92Very high89.3Confident159 Ų159116.7 Ų116.782%0.81565%0.645SS**PPolyproline II helixtrans-67.9126.1174.4-58.3172.6000109.1
57K90.6Very high88.9Confident157 Ų157122.2 Ų122.268%0.68366%0.663SS**PPolyproline II helixtrans-94.9120.9177.1-67.4176.5-175.4169.20110.1H55H55-K57 PolarHBondContact O-N 3.1Å
58V89.9Confident88.3Confident126 Ų126121.4 Ų121.476%0.76466%0.664SS**PPolyproline II helixtrans-92.4124.3174.6-1770000109.1
59Q86.4Confident87.6Confident190 Ų190115.5 Ų115.589%0.88864%0.643SS**  trans-86.6114.7170.7-67.6-170.8-10.200109.3
60V87.3Confident86.7Confident113 Ų113114.7 Ų114.769%0.68565%0.645SS**  trans-81123.1176.2-172.70000109.2N62V60-N62 VanDerWaalsContact CG1-OD1 3.3Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 3.31Å
61K87.3Confident85.4Confident105 Ų105115.7 Ų115.746%0.45765%0.653SS.*  trans-83.9104.2176.1-176.6179.8174.7-173.50109.8N63 L65 L67K61-N63 WeakPolarHBondContact CE-O 3.24Å; K61-L65 WeakPolarHBondContact CE-O 3.09Å; K61-L65 PolarHBondContact NZ-O 3.36Å; K61-L67 HydrophobicContact CD-CD2 4.27Å
62N87Confident83.9Confident131 Ų131119.3 Ų119.370%0.70167%0.666SS**  trans-93.14176.2-65.2-10.3000113.2V60V60-N62 VanDerWaalsContact CG1-OD1 3.3Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 3.31Å
63N84.2Confident82.6Confident110 Ų110118.5 Ų118.559%0.58865%0.649SS**SBendtrans-105.9146.4-174.1-59.9-16.3000110.9K61 L65K61-N63 WeakPolarHBondContact CE-O 3.24Å; N63-L65 PolarHBondContact O-N 2.7Å
64H85.9Confident81.3Confident202 Ų202122 Ų12294%0.93566%0.66SS**  trans-79.43.7175.5-6089.9000113.7
65L84.2Confident80.2Confident94 Ų94118.6 Ų118.649%0.49264%0.641SS.*SBendtrans-73.1161.3-176.7-157.761.3000111.2K61 N63 A69K61-L65 WeakPolarHBondContact CE-O 3.09Å; K61-L65 PolarHBondContact NZ-O 3.36Å; N63-L65 PolarHBondContact O-N 2.7Å; L65-A69 HydrophobicContact CB-CB 4.34Å; L65-A69 HydrophobicContact CD1-CB 4.32Å; L65-A69 HydrophobicContact CD2-CB 3.25Å; L65-A69 HydrophobicContact CG-CB 3.33Å
66G85.1Confident79.4Confident49 Ų49116.2 Ų116.251%0.50563%0.633SS.*PPolyproline II helixtrans-61.3162.1175.500000113.6A69G66-A69 WeakPolarHBondContact O-CB 3.29Å
67L83.1Confident78.5Confident162 Ų162119.3 Ų119.385%0.84864%0.635SS**THydrogen-bonded Turntrans-66.9140.7166.1-65.2171.1000108.9K61 A69K61-L67 HydrophobicContact CD-CD2 4.27Å; L67-A69 PolarHBondContact O-N 2.72Å
68G79.4Confident77.7Confident80 Ų80113.9 Ų113.983%0.82561%0.613SS**THydrogen-bonded Turntrans80.5-6-17700000115.2T70G68-T70 PolarHBondContact O-N 2.65Å; G68-T70 VanDerWaalsContact O-N 3.14Å
69A77.3Confident77Confident39 Ų39109.6 Ų109.632%0.32259%0.591SS.*  trans-73.2109.7173.100000109.7L65 G66 L67L65-A69 HydrophobicContact CB-CB 4.34Å; L65-A69 HydrophobicContact CD1-CB 4.32Å; L65-A69 HydrophobicContact CD2-CB 3.25Å; L65-A69 HydrophobicContact CG-CB 3.33Å; G66-A69 WeakPolarHBondContact O-CB 3.29Å; L67-A69 PolarHBondContact O-N 2.72Å
70T72.2Confident76.9Confident83 Ų83107.4 Ų107.451%0.50958%0.58SS.*  trans-70.9148.8-178.958.80000110.4G68 N72 N73G68-T70 PolarHBondContact O-N 2.65Å; G68-T70 VanDerWaalsContact O-N 3.14Å; T70-N72 PolarHBondContact O-N 2.65Å; T70-N73 PolarHBondContact N-ND2 3.37Å; T70-N73 PolarHBondContact O-N 2.75Å; T70-N73 PolarHBondContact O-ND2 2.83Å
71I64.9Low76.8Confident154 Ų154107.1 Ų107.179%0.7957%0.572SS**G310 helixtrans-58-21.1176.5-63.7165.5000111N73I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.91Å
72N64.1Low76.6Confident104 Ų104105.9 Ų105.956%0.55657%0.57SS**G310 helixtrans-89.210.3-175.4-58.1-11.2000114.1T70 E74 D75T70-N72 PolarHBondContact O-N 2.65Å; N72-E74 PolarHBondContact O-N 2.86Å; N72-E74 VanDerWaalsContact O-N 3.12Å; N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.2Å
73N64Low76.7Confident75 Ų75104.1 Ų104.140%0.40156%0.561SS.*G310 helixtrans-61.1-20.8178.6-81-44.6000113.9T70 I71 D75 N76T70-N73 PolarHBondContact N-ND2 3.37Å; T70-N73 PolarHBondContact O-N 2.75Å; T70-N73 PolarHBondContact O-ND2 2.83Å; I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.91Å; N73-D75 PolarHBondContact O-N 3.47Å; N73-N76 PolarHBondContact O-N 3.23Å; N73-N76 PolarHBondContact OD1-ND2 2.84Å
74E64.6Low77Confident163 Ų163103.9 Ų103.976%0.76255%0.554SS**G310 helixtrans-66.5-24.4174.4-61.3-177.4-178.400112.8N72N72-E74 PolarHBondContact O-N 2.86Å; N72-E74 VanDerWaalsContact O-N 3.12Å
75D65.5Low77.2Confident52 Ų5297.3 Ų97.328%0.27853%0.526SS..G310 helixtrans-78.1-19.9179.8-78-39.4000113.7N72 N73 W77 I78 A79 R150N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.2Å; N73-D75 PolarHBondContact O-N 3.47Å; D75-W77 PolarHBondContact O-N 3.31Å; D75-I78 PolarHBondContact O-N 3.37Å; D75-I78 VanDerWaalsContact O-N 3.1Å; D75-A79 PolarHBondContact O-N 3.41Å; D75-A79 VanDerWaalsContact O-N 3.11Å; D75-R150 VanDerWaalsContact OD1-CD 3.3Å; D75-R150 WeakPolarHBondContact OD1-CD 3.5Å; D75-R150 IonicContact OD1-CZ 3.71Å; D75-R150 IonicContact OD1-NE 2.57Å; D75-R150 IonicContact OD1-NH1 3.48Å; D75-R150 PolarHBondContact OD1-NH1 3.43Å; D75-R150 IonicContact OD2-CZ 2.7Å; D75-R150 IonicContact OD2-NH1 3.72Å; D75-R150 PolarHBondContact OD2-NH1 3.17Å
76N72.6Confident77.6Confident93 Ų9398.9 Ų98.950%0.49753%0.531SS..Hα-helixtrans-65.8-24.6-178.8-67.6-40.9000112.6N73N73-N76 PolarHBondContact O-N 3.23Å; N73-N76 PolarHBondContact OD1-ND2 2.84Å
77W73.1Confident78Confident224 Ų224100.6 Ų100.685%0.84853%0.528SS*.Hα-helixtrans-70.7-31.5174.6166.3-93.8000112.7D75D75-W77 PolarHBondContact O-N 3.31Å
78I73.3Confident78.4Confident42 Ų4296.3 Ų96.322%0.21551%0.506CS..Hα-helixtrans-89.1-26.4-176.9-57.3172.1000111.1D75 H80 Q81 D82D75-I78 PolarHBondContact O-N 3.37Å; D75-I78 VanDerWaalsContact O-N 3.1Å; I78-H80 VanDerWaalsContact C-N 3.35Å; I78-H80 PolarHBondContact O-N 2.79Å; I78-Q81 WeakPolarHBondContact O-CB 3.24Å; I78-Q81 PolarHBondContact O-N 3.17Å; I78-D82 PolarHBondContact O-N 3.17Å; I78-D82 VanDerWaalsContact O-N 3.09Å
79A76.1Confident78.9Confident37 Ų3795 Ų9531%0.30649%0.487SS..Hα-helixtrans-50.5-50.1-179.700000112.9D75 Q81 D82 D83D75-A79 PolarHBondContact O-N 3.41Å; D75-A79 VanDerWaalsContact O-N 3.11Å; A79-Q81 VanDerWaalsContact C-N 3.26Å; A79-Q81 PolarHBondContact O-N 3.25Å; A79-D82 PolarHBondContact O-N 3.07Å; A79-D82 VanDerWaalsContact O-N 3.17Å; A79-D83 VanDerWaalsContact O-CG 3.29Å; A79-D83 PolarHBondContact O-N 3.04Å
80H83Confident79.7Confident144 Ų14498.4 Ų98.467%0.66750%0.497SS*.Hα-helixtrans-64.2-29.3180-61.5-49000113.7I78 F84I78-H80 VanDerWaalsContact C-N 3.35Å; I78-H80 PolarHBondContact O-N 2.79Å; H80-F84 WeakPolarHBondContact O-CB 2.91Å; H80-F84 PolarHBondContact O-N 2.99Å; H80-F84 VanDerWaalsContact O-N 3.16Å
81Q85.3Confident80.7Confident107 Ų10798.1 Ų98.150%0.549%0.492SS..Hα-helixtrans-73.1-39.8176.9-174.463.740.500111I78 A79 F84 N85I78-Q81 WeakPolarHBondContact O-CB 3.24Å; I78-Q81 PolarHBondContact O-N 3.17Å; A79-Q81 VanDerWaalsContact C-N 3.26Å; A79-Q81 PolarHBondContact O-N 3.25Å; Q81-F84 PolarHBondContact O-N 3.48Å; Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.32Å; Q81-N85 PolarHBondContact O-ND2 2.78Å
82D84.3Confident81.9Confident79 Ų7996.5 Ų96.542%0.42248%0.484SS..Hα-helixtrans-68.3-41.1177.5-76.9-19.1000111.6I78 A79 F84 N85 Q86I78-D82 PolarHBondContact O-N 3.17Å; I78-D82 VanDerWaalsContact O-N 3.09Å; A79-D82 PolarHBondContact O-N 3.07Å; A79-D82 VanDerWaalsContact O-N 3.17Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.13Å; D82-N85 WeakPolarHBondContact O-CB 3.38Å; D82-N85 PolarHBondContact O-N 3.46Å; D82-Q86 PolarHBondContact O-N 3.17Å
83D88.4Confident83Confident94 Ų9495.9 Ų95.950%0.50349%0.485SS..Hα-helixtrans-60.5-42.7174.4-64.3-18.9000111.4A79 Q86 L87A79-D83 VanDerWaalsContact O-CG 3.29Å; A79-D83 PolarHBondContact O-N 3.04Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3.18Å; D83-L87 PolarHBondContact O-N 3.27Å
84F91.1Very high83.8Confident104 Ų10496.2 Ų96.246%0.45649%0.492SS..Hα-helixtrans-66.1-40.6175.9-179.3-107.7000112.3H80 Q81 D82 Q86 L87 L88H80-F84 WeakPolarHBondContact O-CB 2.91Å; H80-F84 PolarHBondContact O-N 2.99Å; H80-F84 VanDerWaalsContact O-N 3.16Å; Q81-F84 PolarHBondContact O-N 3.48Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.13Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; F84-L87 PolarHBondContact O-N 3.4Å; F84-L88 HydrophobicContact CD1-CD1 3.95Å; F84-L88 HydrophobicContact CD1-CG 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 3.97Å; F84-L88 HydrophobicContact CE2-CD2 4.47Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.09Å; F84-L88 HydrophobicContact CZ-CG 3.96Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.43Å
85N89.4Confident84.4Confident64 Ų6496.2 Ų96.234%0.34249%0.491SS..Hα-helixtrans-62.8-36.8174.6-68-32.3000111.6Q81 D82 A89Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.32Å; Q81-N85 PolarHBondContact O-ND2 2.78Å; D82-N85 WeakPolarHBondContact O-CB 3.38Å; D82-N85 PolarHBondContact O-N 3.46Å; N85-A89 WeakPolarHBondContact O-CB 3.24Å; N85-A89 PolarHBondContact O-N 2.76Å
86Q91.7Very high84.3Confident127 Ų12795.3 Ų95.359%0.59350%0.495SS*.Hα-helixtrans-65.3-46.2174.8-179.5175-1.900111.3D82 D83 F84 L88 A89 E90D82-Q86 PolarHBondContact O-N 3.17Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3.18Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.39Å; Q86-A89 WeakPolarHBondContact O-CB 3.26Å; Q86-A89 PolarHBondContact O-N 3.12Å; Q86-A89 VanDerWaalsContact O-N 3.15Å; Q86-E90 PolarHBondContact O-N 3.19Å
87L94.2Very high83.7Confident86 Ų8699.2 Ų99.245%0.4551%0.51SS..Hα-helixtrans-58.3-45.3175.2177.966.5000111.7D83 F84 A89 E90 L91D83-L87 PolarHBondContact O-N 3.27Å; F84-L87 PolarHBondContact O-N 3.4Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 2.56Å; L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 3.31Å
88L91.7Very high82.8Confident71 Ų7197.6 Ų97.637%0.37251%0.512SS..Hα-helixtrans-63-38.8176.3-72.8-179.1000112.2F84 Q86 N92F84-L88 HydrophobicContact CD1-CD1 3.95Å; F84-L88 HydrophobicContact CD1-CG 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 3.97Å; F84-L88 HydrophobicContact CE2-CD2 4.47Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.09Å; F84-L88 HydrophobicContact CZ-CG 3.96Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.43Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.39Å; L88-N92 WeakPolarHBondContact O-CB 3.3Å; L88-N92 PolarHBondContact O-N 2.96Å; L88-N92 PolarHBondContact O-ND2 3.14Å
89A90.8Very high81.7Confident54 Ų54102.1 Ų102.145%0.44654%0.542SS..Hα-helixtrans-63.6-44.4175.300000111.1N85 Q86 L87 N92 T93N85-A89 WeakPolarHBondContact O-CB 3.24Å; N85-A89 PolarHBondContact O-N 2.76Å; Q86-A89 WeakPolarHBondContact O-CB 3.26Å; Q86-A89 PolarHBondContact O-N 3.12Å; Q86-A89 VanDerWaalsContact O-N 3.15Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-N92 PolarHBondContact O-N 3.25Å; A89-T93 WeakPolarHBondContact O-CG2 3.12Å; A89-T93 PolarHBondContact O-N 2.74Å
90E93.6Very high80.5Confident110 Ų110103.6 Ų103.651%0.51455%0.554SS.*Hα-helixtrans-62.5-45.6177.2-172.2174179.800111.9Q86 L87 N92 T93 C94Q86-E90 PolarHBondContact O-N 3.19Å; L87-E90 PolarHBondContact O-N 2.56Å; E90-N92 VanDerWaalsContact C-N 3.33Å; E90-N92 PolarHBondContact O-N 3.41Å; E90-T93 WeakPolarHBondContact CA-OG1 3.33Å; E90-T93 PolarHBondContact O-N 3.27Å; E90-T93 PolarHBondContact O-OG1 3.12Å; E90-C94 PolarHBondContact O-N 3.22Å; E90-C94 PolarHBondContact O-SG 2.77Å
91L92.6Very high78.7Confident77 Ų77105.3 Ų105.340%0.40357%0.568SS.*Hα-helixtrans-61-41.5174.8-73.1174.8000112.2L87 T93 C94 H95L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 3.31Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.84Å; L91-C94 PolarHBondContact O-N 3.04Å; L91-H95 WeakPolarHBondContact O-CB 3.2Å; L91-H95 PolarHBondContact O-CD2 3.42Å; L91-H95 PolarHBondContact O-N 2.84Å
92N90.2Very high76.9Confident119 Ų119104 Ų10464%0.63657%0.571SS**Hα-helixtrans-64.3-30.9174.8-73.1-36.9000112.1L88 A89 E90 G96L88-N92 WeakPolarHBondContact O-CB 3.3Å; L88-N92 PolarHBondContact O-N 2.96Å; L88-N92 PolarHBondContact O-ND2 3.14Å; A89-N92 PolarHBondContact O-N 3.25Å; E90-N92 VanDerWaalsContact C-N 3.33Å; E90-N92 PolarHBondContact O-N 3.41Å; N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.39Å; N92-G96 PolarHBondContact O-N 2.81Å
93T87.7Confident75.2Confident92 Ų92108 Ų10856%0.56459%0.591SS**Hα-helixtrans-74.1-36.9173.656.40000112.9A89 E90 L91A89-T93 WeakPolarHBondContact O-CG2 3.12Å; A89-T93 PolarHBondContact O-N 2.74Å; E90-T93 WeakPolarHBondContact CA-OG1 3.33Å; E90-T93 PolarHBondContact O-N 3.27Å; E90-T93 PolarHBondContact O-OG1 3.12Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.84Å
94C81.1Confident72.9Confident81 Ų81108.8 Ų108.855%0.54760%0.595SS.*Hα-helixtrans-74-35.3179.8-65.70000112.9E90 L91E90-C94 PolarHBondContact O-N 3.22Å; E90-C94 PolarHBondContact O-SG 2.77Å; L91-C94 PolarHBondContact O-N 3.04Å
95H76.9Confident70.9Confident163 Ų163113.5 Ų113.576%0.75562%0.616SS**Hα-helixtrans-100.5-7.8-179.4-68-75.9000114.1L91L91-H95 WeakPolarHBondContact O-CB 3.2Å; L91-H95 PolarHBondContact O-CD2 3.42Å; L91-H95 PolarHBondContact O-N 2.84Å
96G63.1Low69Low34 Ų34118.1 Ų118.135%0.35163%0.633SS.*  trans-903.6-175.800000115.9N92 E98N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.39Å; N92-G96 PolarHBondContact O-N 2.81Å; G96-E98 VanDerWaalsContact C-N 3.29Å; G96-E98 PolarHBondContact O-N 3.2Å
97Q60Low67.2Low175 Ų175119.6 Ų119.682%0.81864%0.639SS**THydrogen-bonded Turntrans-80.369.4177-78.9-176-17.700112
98E54.3Low65.5Low189 Ų189124.9 Ų124.988%0.88366%0.659SS**THydrogen-bonded Turntrans-154.4-2.7150.7-129.4177.3-17700114.3G96G96-E98 VanDerWaalsContact C-N 3.29Å; G96-E98 PolarHBondContact O-N 3.2Å
99T51.3Low64.1Low138 Ų138130 Ų13085%0.84768%0.678SS**SBendtrans-142.639.5-18051.20000113.7
100A50.5Low62.7Low68 Ų68131.5 Ų131.556%0.56269%0.685SS**  trans-130.911.9-17800000116.3S102A100-S102 PolarHBondContact O-N 3.01Å
101D44.2Very low61.7Low179 Ų179133.9 Ų133.996%0.95769%0.694SS**THydrogen-bonded Turntrans-75.959.3159.8-72.2-32.7000110.2
102S48.5Very low61.2Low80 Ų80131.2 Ų131.256%0.55968%0.682SS**THydrogen-bonded Turntrans-173.845.4171.3167.40000110.2A100A100-S102 PolarHBondContact O-N 3.01Å
103L48.3Very low60.9Low162 Ų162128.2 Ų128.285%0.84867%0.666SS**  trans-100.855.6158.1-128.1152.2000109.2
104D40.9Very low60.8Low112 Ų112125.2 Ų125.260%0.59965%0.645SS**  trans-38.5146.8150.3-94.9-48.9000109.9K106D104-K106 HydrophobicContact CB-CG 4.38Å; D104-K106 PolarHBondContact O-N 3.43Å
105K47.9Very low61.1Low203 Ų203127.1 Ų127.188%0.88365%0.646SS**  trans-57.656.6159.4-62.6170.5178175.90110.9E107K105-E107 PolarHBondContact O-N 2.69Å
106K49.5Very low61.5Low161 Ų161122 Ų12270%0.762%0.622SS**  trans-69.290.3158.1-76.7-175.5-178.8168.70104.3D104 K108D104-K106 HydrophobicContact CB-CG 4.38Å; D104-K106 PolarHBondContact O-N 3.43Å; K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.88Å
107E53.4Low62.6Low157 Ų157120.7 Ų120.773%0.73461%0.607SS**  trans-27.9106.4155.1-63.6178.3163.100106.6K105 K109K105-E107 PolarHBondContact O-N 2.69Å; E107-K109 PolarHBondContact O-N 2.87Å
108K60Low63.8Low197 Ų197118 Ų11886%0.85759%0.593SS**  trans-64.686.7171.3-67.6-177.7-178.3179.10103.3K106 S110K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.88Å; K108-S110 PolarHBondContact O-N 3.02Å
109K61.4Low65.3Low178 Ų178114.9 Ų114.977%0.77458%0.581SS**  trans-54.298.2170.1-78.7175.4177.7173.40103.4E107 F111E107-K109 PolarHBondContact O-N 2.87Å; K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.9Å
110S61.9Low66.9Low86 Ų86110.5 Ų110.560%0.60156%0.556SS**  trans-61.4103.1-177.443.40000104.2K108 S112K108-S110 PolarHBondContact O-N 3.02Å; S110-S112 PolarHBondContact O-N 3.3Å
111F71Confident68.3Low160 Ų160117.5 Ų117.570%0.70257%0.574SS**  trans-75.182.5-169-170.8-132000106.1K109 L113 K116K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.9Å; F111-L113 PolarHBondContact O-N 3.23Å; F111-L113 VanDerWaalsContact O-N 3.12Å; F111-K116 VanDerWaalsContact C-CE 3.47Å; F111-K116 HydrophobicContact CD1-CD 4Å; F111-K116 HydrophobicContact CD2-CD 3.96Å; F111-K116 HydrophobicContact CD2-CG 4.28Å; F111-K116 HydrophobicContact CE1-CD 3.42Å; F111-K116 VanDerWaalsContact CE1-CD 3.42Å; F111-K116 HydrophobicContact CE2-CD 3.41Å; F111-K116 VanDerWaalsContact CE2-CD 3.41Å; F111-K116 HydrophobicContact CE2-CG 3.65Å; F111-K116 HydrophobicContact CG-CD 4.18Å; F111-K116 HydrophobicContact CZ-CD 3.09Å; F111-K116 HydrophobicContact CZ-CG 3.79Å; F111-K116 VanDerWaalsContact O-CE 3.3Å; F111-K116 WeakPolarHBondContact O-CE 3.44Å; F111-K116 PolarHBondContact O-NZ 3.37Å
112S83.1Confident70.1Confident21 Ų21116.9 Ų116.915%0.14757%0.57CS.*  trans-65.1114.5-175.7173.30000109.5S110 E114 E115 K116 D134S110-S112 PolarHBondContact O-N 3.3Å; S112-E114 PolarHBondContact O-N 3.14Å; S112-E114 PolarHBondContact OG-N 3.18Å; S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 3.39Å; S112-K116 WeakPolarHBondContact O-CE 3.48Å; S112-K116 PolarHBondContact O-N 3.18Å; S112-D134 WeakPolarHBondContact CA-OD2 3.19Å; S112-D134 PolarHBondContact OG-OD2 2.97Å
113L84.5Confident71.7Confident57 Ų57119.7 Ų119.730%0.29857%0.569SS.*Hα-helixtrans-60.4-33.3177.8-173110.6000110.7F111 S117 T130 K133 D134F111-L113 PolarHBondContact O-N 3.23Å; F111-L113 VanDerWaalsContact O-N 3.12Å; L113-S117 WeakPolarHBondContact O-CB 2.99Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 VanDerWaalsContact O-N 3.17Å; L113-S117 PolarHBondContact O-OG 3.21Å; L113-T130 HydrophobicContact CD2-CG2 4.2Å; L113-K133 HydrophobicContact CD2-CB 4.22Å; L113-D134 HydrophobicContact CB-CB 4.26Å; L113-D134 PolarHBondContact N-OD2 3.03Å
114E85.2Confident73.4Confident28 Ų28118.2 Ų118.213%0.13157%0.566CS.*Hα-helixtrans-61.4-46.6173.7-171.5178.1169.900111.7S112 S117 K118 M127 K131 D134S112-E114 PolarHBondContact O-N 3.14Å; S112-E114 PolarHBondContact OG-N 3.18Å; E114-S117 PolarHBondContact O-N 3.35Å; E114-S117 PolarHBondContact O-OG 3.31Å; E114-K118 HydrophobicContact CG-CD 4.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.17Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.32Å; E114-K118 IonicContact OE1-NZ 2.66Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å; E114-M127 HydrophobicContact CG-CE 4.41Å; E114-M127 WeakPolarHBondContact OE1-CE 3.37Å; E114-K131 WeakPolarHBondContact OE1-CE 3.48Å; E114-K131 IonicContact OE1-NZ 3.01Å; E114-K131 VanDerWaalsContact OE2-CE 3.24Å; E114-K131 WeakPolarHBondContact OE2-CE 3.37Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.48Å; E114-D134 PolarHBondContact N-OD2 3.06Å
115E87.1Confident75.6Confident122 Ų122115.2 Ų115.257%0.5755%0.548SS*.Hα-helixtrans-65.3-46.9-178-169.6166.4-158.700112.4S112 S117 K118 I119S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 3.39Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.49Å; E115-K118 PolarHBondContact O-N 3.48Å; E115-I119 HydrophobicContact CG-CD1 3.82Å; E115-I119 WeakPolarHBondContact O-CD1 3.3Å; E115-I119 VanDerWaalsContact O-CG1 3.24Å; E115-I119 WeakPolarHBondContact O-CG1 3.3Å; E115-I119 PolarHBondContact O-N 3.42Å; E115-I119 VanDerWaalsContact O-N 3.1Å
116K85.8Confident77.6Confident56 Ų56112.3 Ų112.324%0.24353%0.533CS..Hα-helixtrans-60.1-40.6176.6-63.6158.7-135.7171.40113.2F111 S112 K118 I119 S120F111-K116 VanDerWaalsContact C-CE 3.47Å; F111-K116 HydrophobicContact CD1-CD 4Å; F111-K116 HydrophobicContact CD2-CD 3.96Å; F111-K116 HydrophobicContact CD2-CG 4.28Å; F111-K116 HydrophobicContact CE1-CD 3.42Å; F111-K116 VanDerWaalsContact CE1-CD 3.42Å; F111-K116 HydrophobicContact CE2-CD 3.41Å; F111-K116 VanDerWaalsContact CE2-CD 3.41Å; F111-K116 HydrophobicContact CE2-CG 3.65Å; F111-K116 HydrophobicContact CG-CD 4.18Å; F111-K116 HydrophobicContact CZ-CD 3.09Å; F111-K116 HydrophobicContact CZ-CG 3.79Å; F111-K116 VanDerWaalsContact O-CE 3.3Å; F111-K116 WeakPolarHBondContact O-CE 3.44Å; F111-K116 PolarHBondContact O-NZ 3.37Å; S112-K116 WeakPolarHBondContact O-CE 3.48Å; S112-K116 PolarHBondContact O-N 3.18Å; K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 2.88Å; K116-I119 PolarHBondContact O-N 3.41Å; K116-S120 WeakPolarHBondContact O-CB 3.46Å; K116-S120 PolarHBondContact O-N 2.87Å; K116-S120 PolarHBondContact O-OG 3.38Å
117S85.4Confident79.4Confident6 Ų6108.3 Ų108.34%0.04252%0.518CS..Hα-helixtrans-74-23.5-174.956.10000111.9L113 E114 E115 S120 H125 T130L113-S117 WeakPolarHBondContact O-CB 2.99Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 VanDerWaalsContact O-N 3.17Å; L113-S117 PolarHBondContact O-OG 3.21Å; E114-S117 PolarHBondContact O-N 3.35Å; E114-S117 PolarHBondContact O-OG 3.31Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.49Å; S117-S120 PolarHBondContact O-OG 3.3Å; S117-H125 WeakPolarHBondContact CB-ND1 3.49Å; S117-H125 PolarHBondContact OG-CE1 3.11Å; S117-H125 PolarHBondContact OG-ND1 3.36Å; S117-T130 WeakPolarHBondContact OG-CG2 3.43Å
118K86.4Confident81.2Confident118 Ų118108.6 Ų108.651%0.51352%0.516SS..Hα-helixtrans-73.6-36.9167.7-70.3172.2-177.91700112.3E114 E115 K116E114-K118 HydrophobicContact CG-CD 4.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.17Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.32Å; E114-K118 IonicContact OE1-NZ 2.66Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å; E115-K118 PolarHBondContact O-N 3.48Å; K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 2.88Å
119I85.4Confident82.5Confident123 Ų123104.3 Ų104.363%0.63150%0.498SS*.Hα-helixtrans-76.8-31.6-179-62.1160.2000111.1E115 K116 K121E115-I119 HydrophobicContact CG-CD1 3.82Å; E115-I119 WeakPolarHBondContact O-CD1 3.3Å; E115-I119 VanDerWaalsContact O-CG1 3.24Å; E115-I119 WeakPolarHBondContact O-CG1 3.3Å; E115-I119 PolarHBondContact O-N 3.42Å; E115-I119 VanDerWaalsContact O-N 3.1Å; K116-I119 PolarHBondContact O-N 3.41Å; I119-K121 PolarHBondContact O-N 2.95Å
120S83.6Confident83.8Confident46 Ų4695.9 Ų95.932%0.32246%0.461SS..  trans-72.9121.1-178.169.90000111.8K116 S117K116-S120 WeakPolarHBondContact O-CB 3.46Å; K116-S120 PolarHBondContact O-N 2.87Å; K116-S120 PolarHBondContact O-OG 3.38Å; S117-S120 PolarHBondContact O-OG 3.3Å
121K80.9Confident85Confident216 Ų21695.9 Ų95.994%0.93945%0.451SS*.SBendtrans-83.5-12.4174.2-62.7177.1-178.5173.40113.7I119I119-K121 PolarHBondContact O-N 2.95Å
122N82Confident85.8Confident166 Ų16691.1 Ų91.189%0.88845%0.446SS*.SBendtrans-83.4-13.5-176.2-164.323.8000113.6
123R81Confident86.1Confident139 Ų13996.3 Ų96.353%0.52547%0.466SS..SBendtrans-131.7138.4-176.6-161.8175.599.4-173.64.2111.2H125R123-H125 PolarHBondContact O-N 2.57Å
124V85.3Confident86.3Confident130 Ų13094.1 Ų94.179%0.78846%0.455SS*.  trans-62.6124.3170.3-178.90000109.5Y126V124-Y126 PolarHBondContact O-N 3.26Å
125H87.1Confident86.3Confident49 Ų4997.1 Ų97.123%0.22747%0.471CS..  trans-81.497.4177.9-179.667.1000110.7S117 R123 M127 T130S117-H125 WeakPolarHBondContact CB-ND1 3.49Å; S117-H125 PolarHBondContact OG-CE1 3.11Å; S117-H125 PolarHBondContact OG-ND1 3.36Å; R123-H125 PolarHBondContact O-N 2.57Å; H125-M127 WeakPolarHBondContact NE2-CE 3.41Å; H125-M127 PolarHBondContact O-N 2.75Å; H125-T130 PolarHBondContact CE1-OG1 3.12Å; H125-T130 VanDerWaalsContact CE1-OG1 3.32Å
126Y89.6Confident86.3Confident142 Ų14293.9 Ų93.956%0.55746%0.462SS*.  trans-90.594.4174.5-169-124.4000111.5V124 K128 F129 T130V124-Y126 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 HydrophobicContact CE1-CB 4.2Å; Y126-K128 PolarHBondContact O-N 3.24Å; Y126-F129 HydrophobicContact CD1-CB 3.38Å; Y126-F129 HydrophobicContact CD1-CG 4.44Å; Y126-F129 HydrophobicContact CE1-CB 3.97Å; Y126-F129 HydrophobicContact CG-CB 4.38Å; Y126-F129 PolarHBondContact O-N 3.39Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; Y126-T130 PolarHBondContact O-N 3.27Å; Y126-T130 PolarHBondContact O-OG1 3.05Å
127M87.7Confident86.2Confident78 Ų7895 Ų9538%0.38448%0.477SS..Hα-helixtrans-47.6-46.8-172.2-72.5-1258400114.7E114 H125 F129 T130 K131E114-M127 HydrophobicContact CG-CE 4.41Å; E114-M127 WeakPolarHBondContact OE1-CE 3.37Å; H125-M127 WeakPolarHBondContact NE2-CE 3.41Å; H125-M127 PolarHBondContact O-N 2.75Å; M127-F129 PolarHBondContact O-N 3.04Å; M127-T130 WeakPolarHBondContact CA-OG1 3.46Å; M127-T130 PolarHBondContact O-OG1 3Å; M127-T130 VanDerWaalsContact O-OG1 3.07Å; M127-K131 VanDerWaalsContact O-CB 3.27Å; M127-K131 WeakPolarHBondContact O-CB 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.26Å; M127-K131 WeakPolarHBondContact O-CG 3.23Å; M127-K131 PolarHBondContact O-N 3.1Å
128K90.3Very high86.4Confident162 Ų162100.4 Ų100.470%0.70450%0.497SS*.Hα-helixtrans-65.3-40.3-175-68.9-179.968.4176.40111.8Y126 G132Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 HydrophobicContact CE1-CB 4.2Å; Y126-K128 PolarHBondContact O-N 3.24Å; K128-G132 PolarHBondContact O-N 3.24Å
129F87.8Confident86.6Confident107 Ų10797.7 Ų97.747%0.46949%0.493SS..Hα-helixtrans-80-37.2-177.3-175.6-104.8000112.3Y126 M127 G132 K133Y126-F129 HydrophobicContact CD1-CB 3.38Å; Y126-F129 HydrophobicContact CD1-CG 4.44Å; Y126-F129 HydrophobicContact CE1-CB 3.97Å; Y126-F129 HydrophobicContact CG-CB 4.38Å; Y126-F129 PolarHBondContact O-N 3.39Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; M127-F129 PolarHBondContact O-N 3.04Å; F129-G132 PolarHBondContact O-N 3.11Å; F129-K133 HydrophobicContact CD1-CD 4.18Å; F129-K133 HydrophobicContact CE1-CD 3.79Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 VanDerWaalsContact CE1-NZ 3.33Å; F129-K133 HydrophobicContact CE2-CD 4.42Å; F129-K133 HydrophobicContact CZ-CD 3.98Å; F129-K133 PolarHBondContact O-N 3.02Å
130T88.6Confident86.8Confident1 Ų198.6 Ų98.61%0.00649%0.492CS..Hα-helixtrans-64.5-43.9175.353.20000110.7L113 S117 H125 Y126 M127 G132 K133 D134L113-T130 HydrophobicContact CD2-CG2 4.2Å; S117-T130 WeakPolarHBondContact OG-CG2 3.43Å; H125-T130 PolarHBondContact CE1-OG1 3.12Å; H125-T130 VanDerWaalsContact CE1-OG1 3.32Å; Y126-T130 PolarHBondContact O-N 3.27Å; Y126-T130 PolarHBondContact O-OG1 3.05Å; M127-T130 WeakPolarHBondContact CA-OG1 3.46Å; M127-T130 PolarHBondContact O-OG1 3Å; M127-T130 VanDerWaalsContact O-OG1 3.07Å; T130-G132 PolarHBondContact O-N 3.4Å; T130-K133 PolarHBondContact O-N 3.44Å; T130-D134 WeakPolarHBondContact O-CB 3.44Å; T130-D134 PolarHBondContact O-N 3.25Å; T130-D134 VanDerWaalsContact O-N 3.12Å
131K87.2Confident87.1Confident87 Ų87100.8 Ų100.838%0.37850%0.504SS..Hα-helixtrans-67.2-31.1175.3-74.4179.3174.2-177.10114.1E114 M127 K133E114-K131 WeakPolarHBondContact OE1-CE 3.48Å; E114-K131 IonicContact OE1-NZ 3.01Å; E114-K131 VanDerWaalsContact OE2-CE 3.24Å; E114-K131 WeakPolarHBondContact OE2-CE 3.37Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.48Å; M127-K131 VanDerWaalsContact O-CB 3.27Å; M127-K131 WeakPolarHBondContact O-CB 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.26Å; M127-K131 WeakPolarHBondContact O-CG 3.23Å; M127-K131 PolarHBondContact O-N 3.1Å; K131-K133 VanDerWaalsContact C-N 3.35Å
132G88.2Confident87.4Confident59 Ų5993.8 Ų93.861%0.60848%0.476SS*.Hα-helixtrans-72.6-28.1177.600000113.4K128 F129 T130K128-G132 PolarHBondContact O-N 3.24Å; F129-G132 PolarHBondContact O-N 3.11Å; T130-G132 PolarHBondContact O-N 3.4Å
133K88.4Confident87.8Confident130 Ų13087.7 Ų87.757%0.56544%0.443SS*.Hα-helixtrans-92.1-19.5178.6-72.1-174.3168.7-170.50113.8L113 F129 T130 K131L113-K133 HydrophobicContact CD2-CB 4.22Å; F129-K133 HydrophobicContact CD1-CD 4.18Å; F129-K133 HydrophobicContact CE1-CD 3.79Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 VanDerWaalsContact CE1-NZ 3.33Å; F129-K133 HydrophobicContact CE2-CD 4.42Å; F129-K133 HydrophobicContact CZ-CD 3.98Å; F129-K133 PolarHBondContact O-N 3.02Å; T130-K133 PolarHBondContact O-N 3.44Å; K131-K133 VanDerWaalsContact C-N 3.35Å
134D88.7Confident88Confident12 Ų1281.7 Ų81.76%0.06442%0.422CS..  trans-86.2114-178.1-159.5-11.3000110.7S112 L113 E114 T130 S136S112-D134 WeakPolarHBondContact CA-OD2 3.19Å; S112-D134 PolarHBondContact OG-OD2 2.97Å; L113-D134 HydrophobicContact CB-CB 4.26Å; L113-D134 PolarHBondContact N-OD2 3.03Å; E114-D134 PolarHBondContact N-OD2 3.06Å; T130-D134 WeakPolarHBondContact O-CB 3.44Å; T130-D134 PolarHBondContact O-N 3.25Å; T130-D134 VanDerWaalsContact O-N 3.12Å; D134-S136 WeakPolarHBondContact OD1-CB 3.36Å; D134-S136 PolarHBondContact OD1-N 3.02Å; D134-S136 PolarHBondContact OD1-OG 2.94Å; D134-S136 PolarHBondContact OD2-OG 3.29Å
135L86.4Confident88Confident91 Ų9180.6 Ų80.648%0.47642%0.419SS..  trans-90.8-7.7174.5-61.6179.8000112.3S137 R138 L143L135-S137 PolarHBondContact O-N 2.97Å; L135-R138 HydrophobicContact CD2-CG 4.39Å; L135-R138 PolarHBondContact O-N 3.39Å; L135-R138 VanDerWaalsContact O-N 3.14Å; L135-L143 HydrophobicContact CB-CD2 4.22Å; L135-L143 HydrophobicContact CD1-CD2 4.38Å; L135-L143 HydrophobicContact CD2-CD2 4.13Å; L135-L143 HydrophobicContact CG-CD2 4.48Å
136S86.6Confident88.1Confident53 Ų5383.9 Ų83.937%0.37144%0.437SS..THydrogen-bonded Turntrans-64.6-26.2-176.264.20000113.6D134D134-S136 WeakPolarHBondContact OD1-CB 3.36Å; D134-S136 PolarHBondContact OD1-N 3.02Å; D134-S136 PolarHBondContact OD1-OG 2.94Å; D134-S136 PolarHBondContact OD2-OG 3.29Å
137S83.9Confident87.8Confident81 Ų8183.2 Ų83.257%0.56644%0.437SS*.THydrogen-bonded Turntrans-91.1-3.2178.573.10000114L135L135-S137 PolarHBondContact O-N 2.97Å
138R89.4Confident87.2Confident118 Ų11881 Ų8145%0.44544%0.435SS..SBendtrans-85.2145.3-178.3-59.9-65.4166.3-163.6-2.2110L135 L143L135-R138 HydrophobicContact CD2-CG 4.39Å; L135-R138 PolarHBondContact O-N 3.39Å; L135-R138 VanDerWaalsContact O-N 3.14Å; R138-L143 HydrophobicContact CB-CD2 4Å; R138-L143 HydrophobicContact CB-CG 4.21Å
139S91.6Very high86.7Confident62 Ų6278.7 Ų78.743%0.43442%0.424SS..  trans-68.7149.6177.565.10000110T141 D142 L143S139-T141 PolarHBondContact O-N 3.28Å; S139-T141 PolarHBondContact OG-OG1 3.45Å; S139-D142 PolarHBondContact O-N 2.88Å; S139-D142 WeakPolarHBondContact OG-CB 3.35Å; S139-D142 PolarHBondContact OG-N 3.15Å; S139-L143 PolarHBondContact O-N 2.97Å; S139-L143 VanDerWaalsContact O-N 3.12Å
140K88.4Confident85.8Confident142 Ų14281.2 Ų81.262%0.61743%0.431SS*.Hα-helixtrans-54.8-38.6174.5-173.7176.2178.4-1790111.5D142 L143 D144K140-D142 VanDerWaalsContact C-N 3.35Å; K140-D142 PolarHBondContact O-N 2.98Å; K140-L143 PolarHBondContact O-N 3.44Å; K140-D144 WeakPolarHBondContact O-CB 3.4Å; K140-D144 PolarHBondContact O-N 3.43Å
141T89.4Confident84.8Confident92 Ų9286.6 Ų86.656%0.56446%0.456SS*.Hα-helixtrans-60.8-38.7176.657.30000113.4S139 C145S139-T141 PolarHBondContact O-N 3.28Å; S139-T141 PolarHBondContact OG-OG1 3.45Å; T141-C145 PolarHBondContact O-N 3.43Å; T141-C145 PolarHBondContact O-SG 3.28Å
142D88.9Confident83.5Confident68 Ų6886.7 Ų86.736%0.36447%0.468SS..Hα-helixtrans-71.9-41.6179.1-175.747000111S139 K140 D144 C145 I146S139-D142 PolarHBondContact O-N 2.88Å; S139-D142 WeakPolarHBondContact OG-CB 3.35Å; S139-D142 PolarHBondContact OG-N 3.15Å; K140-D142 VanDerWaalsContact C-N 3.35Å; K140-D142 PolarHBondContact O-N 2.98Å; D142-D144 VanDerWaalsContact C-N 3.33Å; D142-D144 PolarHBondContact O-N 2.88Å; D142-C145 WeakPolarHBondContact O-CB 3.48Å; D142-C145 PolarHBondContact O-N 3Å; D142-I146 WeakPolarHBondContact O-CG1 3.49Å; D142-I146 PolarHBondContact O-N 3.22Å
143L88.6Confident81.9Confident38 Ų3893.3 Ų93.320%0.19948%0.48CS..Hα-helixtrans-61.2-45.2172.8-63.3-179.7000111.2L135 R138 S139 K140 C145 I146 F147L135-L143 HydrophobicContact CB-CD2 4.22Å; L135-L143 HydrophobicContact CD1-CD2 4.38Å; L135-L143 HydrophobicContact CD2-CD2 4.13Å; L135-L143 HydrophobicContact CG-CD2 4.48Å; R138-L143 HydrophobicContact CB-CD2 4Å; R138-L143 HydrophobicContact CB-CG 4.21Å; S139-L143 PolarHBondContact O-N 2.97Å; S139-L143 VanDerWaalsContact O-N 3.12Å; K140-L143 PolarHBondContact O-N 3.44Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 3.14Å; L143-I146 PolarHBondContact O-N 2.93Å; L143-I146 VanDerWaalsContact O-N 3.09Å; L143-F147 HydrophobicContact CB-CD2 4.14Å; L143-F147 HydrophobicContact CB-CE2 4.06Å; L143-F147 HydrophobicContact CD2-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 WeakPolarHBondContact O-CG 2.97Å; L143-F147 PolarHBondContact O-N 3.26Å
144D87.2Confident79.9Confident14 Ų1495.9 Ų95.98%0.07549%0.491CS..Hα-helixtrans-60.7-39.5177.8-77.5-15.7000111.9K140 D142 I146 F147 G148 K149 Q151K140-D144 WeakPolarHBondContact O-CB 3.4Å; K140-D144 PolarHBondContact O-N 3.43Å; D142-D144 VanDerWaalsContact C-N 3.33Å; D142-D144 PolarHBondContact O-N 2.88Å; D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 2.64Å; D144-F147 PolarHBondContact O-N 2.91Å; D144-G148 CarbonylContact O-C 3.54Å; D144-G148 PolarHBondContact O-N 3.39Å; D144-K149 HydrophobicContact CB-CB 4.18Å; D144-K149 VanDerWaalsContact CB-O 3.32Å; D144-K149 WeakPolarHBondContact CB-O 3.44Å; D144-K149 PolarHBondContact O-N 3.03Å; D144-Q151 WeakPolarHBondContact OD2-CG 3.37Å; D144-Q151 PolarHBondContact OD2-NE2 2.95Å
145C84.9Confident77.3Confident106 Ų106100.7 Ų100.772%0.71652%0.521SS*.Hα-helixtrans-60.9-36.9172.7-72.70000113.1T141 D142 L143T141-C145 PolarHBondContact O-N 3.43Å; T141-C145 PolarHBondContact O-SG 3.28Å; D142-C145 WeakPolarHBondContact O-CB 3.48Å; D142-C145 PolarHBondContact O-N 3Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 3.14Å
146I87.9Confident75.2Confident118 Ų118102.4 Ų102.461%0.60554%0.537SS*.Hα-helixtrans-75.5-41.3178.2-62.9166000110.9D142 L143 D144 G148D142-I146 WeakPolarHBondContact O-CG1 3.49Å; D142-I146 PolarHBondContact O-N 3.22Å; L143-I146 PolarHBondContact O-N 2.93Å; L143-I146 VanDerWaalsContact O-N 3.09Å; D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 2.64Å; I146-G148 PolarHBondContact O-N 3.19Å
147F83.4Confident72.8Confident128 Ų128109 Ų10956%0.56156%0.559SS**Hα-helixtrans-80.7-0.8-179.6-65.1-57.1000113.6L143 D144 K149L143-F147 HydrophobicContact CB-CD2 4.14Å; L143-F147 HydrophobicContact CB-CE2 4.06Å; L143-F147 HydrophobicContact CD2-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 WeakPolarHBondContact O-CG 2.97Å; L143-F147 PolarHBondContact O-N 3.26Å; D144-F147 PolarHBondContact O-N 2.91Å; F147-K149 HydrophobicContact CB-CD 4.34Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 3.3Å
148G76.4Confident70.6Confident33 Ų33108 Ų10834%0.3456%0.562SS.*THydrogen-bonded Turntrans67.915.1-17700000113.7D144 I146 R150D144-G148 CarbonylContact O-C 3.54Å; D144-G148 PolarHBondContact O-N 3.39Å; I146-G148 PolarHBondContact O-N 3.19Å; G148-R150 PolarHBondContact O-N 3.3Å
149K78.9Confident68.3Low112 Ų112110.3 Ų110.349%0.48758%0.583SS.*  trans-81.2104.9179-64.4-174.4179-171.50108.3D144 F147 Q151D144-K149 HydrophobicContact CB-CB 4.18Å; D144-K149 VanDerWaalsContact CB-O 3.32Å; D144-K149 WeakPolarHBondContact CB-O 3.44Å; D144-K149 PolarHBondContact O-N 3.03Å; F147-K149 HydrophobicContact CB-CD 4.34Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 3.3Å; K149-Q151 PolarHBondContact O-N 3.09Å
150R69.3Low65.5Low160 Ų160111.5 Ų111.560%0.60460%0.596SS**  trans-82.2118.1173.9-61.1-174.969.4-166.8-6.4108.1D75 G148 S152D75-R150 VanDerWaalsContact OD1-CD 3.3Å; D75-R150 WeakPolarHBondContact OD1-CD 3.5Å; D75-R150 IonicContact OD1-CZ 3.71Å; D75-R150 IonicContact OD1-NE 2.57Å; D75-R150 IonicContact OD1-NH1 3.48Å; D75-R150 PolarHBondContact OD1-NH1 3.43Å; D75-R150 IonicContact OD2-CZ 2.7Å; D75-R150 IonicContact OD2-NH1 3.72Å; D75-R150 PolarHBondContact OD2-NH1 3.17Å; G148-R150 PolarHBondContact O-N 3.3Å; R150-S152 VanDerWaalsContact C-N 3.34Å; R150-S152 PolarHBondContact O-N 3.48Å
151Q66.6Low63Low114 Ų114109.9 Ų109.953%0.53360%0.603SS.*  trans-63100.1167.4-65.6-65.1-46.700107D144 K149 K153D144-Q151 WeakPolarHBondContact OD2-CG 3.37Å; D144-Q151 PolarHBondContact OD2-NE2 2.95Å; K149-Q151 PolarHBondContact O-N 3.09Å; Q151-K153 PolarHBondContact O-N 3Å
152S60.5Low60.5Low89 Ų89111.4 Ų111.462%0.62262%0.615SS**  trans-59.8114.7169.756.80000106.2R150 K154R150-S152 VanDerWaalsContact C-N 3.34Å; R150-S152 PolarHBondContact O-N 3.48Å; S152-K154 PolarHBondContact O-N 3.29Å
153K54.8Low57.8Low198 Ų198113.5 Ų113.586%0.86164%0.635SS**  trans-67.687.4169.4-69.1-152.3178.3-171.60106.2Q151 T155Q151-K153 PolarHBondContact O-N 3Å; K153-T155 PolarHBondContact O-N 3.26Å
154K47.1Very low55.2Low184 Ų184117.4 Ų117.480%0.866%0.66SS**  trans-62.892.9161.3-67.3-173.4-179.5-1760105.5S152S152-K154 PolarHBondContact O-N 3.29Å
155T33.7Very low53Low114 Ų114122.7 Ų122.770%0.69970%0.695SS**  trans-51.5129.3155.842.20000106.7K153 K157K153-T155 PolarHBondContact O-N 3.26Å; T155-K157 PolarHBondContact O-N 3.43Å
156P41.6Very low50.4Low126 Ų126125.4 Ų125.482%0.81870%0.703SS**  trans-60.7108.8173.525.4-30.6000106.7G158P156-G158 PolarHBondContact O-N 3.4Å; P156-G158 VanDerWaalsContact O-N 3.14Å
157K36.4Very low48.6Very low191 Ų191127.5 Ų127.583%0.8371%0.71SS**  trans-72.4106.3176.1-156.8176.4-174.7-178.30105.3T155T155-K157 PolarHBondContact O-N 3.43Å
158G38.3Very low47.1Very low60 Ų60128.1 Ų128.162%0.61972%0.719SS**  trans-57.2135.1166.900000109.7P156 A160P156-G158 PolarHBondContact O-N 3.4Å; P156-G158 VanDerWaalsContact O-N 3.14Å; G158-A160 PolarHBondContact O-N 2.63Å
159D40.8Very low45.9Very low168 Ų168135.6 Ų135.690%0.89875%0.745SS**  trans23.391159.9-53.5-33.9000116.4
160A33Very low44.2Very low86 Ų86136 Ų13671%0.71176%0.757SS**  trans-95.6110.215700000108.6G158G158-A160 PolarHBondContact O-N 2.63Å
161S34.8Very low43.1Very low109 Ų109134.6 Ų134.676%0.76277%0.767SS**  trans-52.3143.7164.2-144.10000110.7S163S161-S163 PolarHBondContact O-N 2.95Å
162P37.4Very low42.2Very low124 Ų124134.5 Ų134.581%0.80577%0.774SS**  trans-77.3105.7-178.630.8-31.5000110.2T164P162-T164 PolarHBondContact O-N 2.87Å
163S32Very low42.1Very low112 Ų112136.7 Ų136.778%0.78378%0.784SS**  trans-83.5109.7161.9670000108.8S161S161-S163 PolarHBondContact O-N 2.95Å
164T34.9Very low42.8Very low120 Ų120130.3 Ų130.374%0.73676%0.764SS**  trans7.3128.4157.754.60000118.5P162 D166P162-T164 PolarHBondContact O-N 2.87Å; T164-D166 PolarHBondContact O-N 3.3Å
165P40.4Very low43.9Very low125 Ų125126.7 Ų126.781%0.81277%0.768SS**PPolyproline II helixtrans-71.2116.9164.130.6-28.5000108.5
166D30.9Very low45.6Very low162 Ų162127.4 Ų127.487%0.86676%0.762SS**PPolyproline II helixtrans-75.1128.1160.9-139.2-21.1000106.8T164T164-D166 PolarHBondContact O-N 3.3Å
167E50Low47.7Very low163 Ų163125.9 Ų125.976%0.76275%0.751SS**SBendtrans-64.8166.5-172.8-63.6-150.6148.700112.1
168N51Low50Low140 Ų140122.8 Ų122.875%0.74974%0.742SS**  trans104.245.5164.1-38.3-52.8000118.1
169E51.2Low52.2Low190 Ų190127.5 Ų127.589%0.88875%0.748SS**  trans-117.168.1148.6-70.1-169.8-175.900110T171E169-T171 PolarHBondContact O-N 2.95Å
170T44.4Very low54.5Low120 Ų120124.6 Ų124.674%0.73673%0.729SS**  trans-78.493169.829.10000109.7T172T170-T172 VanDerWaalsContact C-N 3.3Å; T170-T172 PolarHBondContact O-N 3.16Å; T170-T172 PolarHBondContact O-OG1 3.35Å
171T45.8Very low57.1Low132 Ų132125.9 Ų125.981%0.8172%0.716SS**  trans-60.994163.9-52.30000108.9E169E169-T171 PolarHBondContact O-N 2.95Å
172T48Very low59.8Low111 Ų111126.5 Ų126.568%0.68171%0.705SS**  trans-91.2102.4177.6-55.60000108.4T170 S174T170-T172 VanDerWaalsContact C-N 3.3Å; T170-T172 PolarHBondContact O-N 3.16Å; T170-T172 PolarHBondContact O-OG1 3.35Å; T172-S174 PolarHBondContact O-N 3.32Å
173T57.4Low62.3Low135 Ų135123.5 Ų123.583%0.82869%0.691SS**  trans-69.292.9171.453.50000109
174S69.9Low65Low64 Ų64125.9 Ų125.945%0.44869%0.687SS.*  trans-99.3141.4177.175.10000111.2T172 F176T172-S174 PolarHBondContact O-N 3.32Å; S174-F176 PolarHBondContact O-N 3.39Å
175A69.3Low67.5Low108 Ų108127.3 Ų127.389%0.89368%0.679SS**SBendtrans-73.313.1-177.500000115.2
176F70.9Confident69.6Low130 Ų130126.7 Ų126.757%0.5767%0.667SS**SBendtrans-102.3145.8-173.8-63.7-73.1000111.8S174 E180S174-F176 PolarHBondContact O-N 3.39Å; F176-E180 HydrophobicContact CB-CB 4.49Å; F176-E180 VanDerWaalsContact CD1-OE2 3.24Å; F176-E180 WeakPolarHBondContact CD1-OE2 3.22Å
177T84.7Confident72.2Confident94 Ų94121.2 Ų121.258%0.57764%0.644SS**  trans-62.6142.1174.3-69.50000110.1Q179 E180 Y181T177-Q179 HydrophobicContact CG2-CB 4.32Å; T177-Q179 PolarHBondContact O-N 3.03Å; T177-E180 VanDerWaalsContact O-CB 3.32Å; T177-E180 WeakPolarHBondContact O-CB 3.42Å; T177-E180 PolarHBondContact O-N 2.85Å; T177-Y181 PolarHBondContact O-N 3.35Å
178I84.4Confident73.8Confident126 Ų126116.6 Ų116.665%0.64663%0.633SS**Hα-helixtrans-49-37.7-176.8-66.8168.2000112.7E180 Y181 F182I178-E180 VanDerWaalsContact C-N 3.34Å; I178-E180 PolarHBondContact O-N 2.99Å; I178-Y181 WeakPolarHBondContact O-CB 3.41Å; I178-Y181 PolarHBondContact O-N 3.03Å; I178-F182 HydrophobicContact CG2-CD2 3.79Å; I178-F182 HydrophobicContact CG2-CE2 3.46Å; I178-F182 VanDerWaalsContact CG2-CE2 3.46Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.27Å
179Q85.6Confident75.1Confident158 Ų158115.3 Ų115.374%0.73863%0.626SS**Hα-helixtrans-62.8-37.3178.3-69.7-179.5-29.800113.2T177 F182 A183T177-Q179 HydrophobicContact CG2-CB 4.32Å; T177-Q179 PolarHBondContact O-N 3.03Å; Q179-F182 PolarHBondContact O-N 3.39Å; Q179-A183 PolarHBondContact O-N 3.47Å
180E88.7Confident76.3Confident108 Ų108114.6 Ų114.651%0.50562%0.62SS.*Hα-helixtrans-71.2-35-178.1-154.1172.9-173.600111.2F176 T177 I178 A183 K184F176-E180 HydrophobicContact CB-CB 4.49Å; F176-E180 VanDerWaalsContact CD1-OE2 3.24Å; F176-E180 WeakPolarHBondContact CD1-OE2 3.22Å; T177-E180 VanDerWaalsContact O-CB 3.32Å; T177-E180 WeakPolarHBondContact O-CB 3.42Å; T177-E180 PolarHBondContact O-N 2.85Å; I178-E180 VanDerWaalsContact C-N 3.34Å; I178-E180 PolarHBondContact O-N 2.99Å; E180-A183 PolarHBondContact O-N 3.44Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.88Å
181Y88.2Confident77.6Confident113 Ų113115.2 Ų115.244%0.44362%0.619SS.*Hα-helixtrans-61.5-48.1171.7173.4-100.3000112.1T177 I178 K184 R185T177-Y181 PolarHBondContact O-N 3.35Å; I178-Y181 WeakPolarHBondContact O-CB 3.41Å; I178-Y181 PolarHBondContact O-N 3.03Å; Y181-K184 PolarHBondContact O-N 3.36Å; Y181-R185 WeakPolarHBondContact O-CB 3.41Å; Y181-R185 PolarHBondContact O-N 3.27Å
182F90.3Very high78.9Confident121 Ų121116.9 Ų116.953%0.53162%0.615SS.*Hα-helixtrans-65.7-39.7178.5-75.7-67.6000112.1I178 Q179 K184 R185 M186I178-F182 HydrophobicContact CG2-CD2 3.79Å; I178-F182 HydrophobicContact CG2-CE2 3.46Å; I178-F182 VanDerWaalsContact CG2-CE2 3.46Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.27Å; Q179-F182 PolarHBondContact O-N 3.39Å; F182-K184 PolarHBondContact O-N 3.01Å; F182-R185 PolarHBondContact O-N 3.43Å; F182-M186 WeakPolarHBondContact O-CB 3.32Å; F182-M186 WeakPolarHBondContact O-CG 3.17Å; F182-M186 PolarHBondContact O-N 3.03Å
183A90.3Very high79.3Confident62 Ų62116.8 Ų116.851%0.51262%0.616SS.*Hα-helixtrans-59.3-46.6175.200000111.7Q179 E180 M186 A187Q179-A183 PolarHBondContact O-N 3.47Å; E180-A183 PolarHBondContact O-N 3.44Å; A183-M186 PolarHBondContact O-N 3.38Å; A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 3.47Å
184K87.8Confident79Confident162 Ų162119.8 Ų119.870%0.70462%0.621SS**Hα-helixtrans-63.6-42.6177.2-172.5174.8-178.9177.20112.3E180 Y181 F182 A187 A188E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.88Å; Y181-K184 PolarHBondContact O-N 3.36Å; F182-K184 PolarHBondContact O-N 3.01Å; K184-A187 PolarHBondContact O-N 3.33Å; K184-A188 PolarHBondContact O-N 2.9Å
185R87.9Confident77.6Confident150 Ų150122.4 Ų122.457%0.56663%0.634SS**Hα-helixtrans-63.2-43.4177.3-165.785.3-176.7-171.44.2111.6Y181 F182 A188 L189Y181-R185 WeakPolarHBondContact O-CB 3.41Å; Y181-R185 PolarHBondContact O-N 3.27Å; F182-R185 PolarHBondContact O-N 3.43Å; R185-A188 PolarHBondContact O-N 3.02Å; R185-L189 WeakPolarHBondContact O-CG 3.36Å; R185-L189 PolarHBondContact O-N 3.42Å; R185-L189 VanDerWaalsContact O-N 3.17Å
186M84.9Confident76.7Confident112 Ų112123.2 Ų123.255%0.55263%0.63SS**Hα-helixtrans-68.2-36.2179.1-70.1-66.4-7900112.2F182 A183 L189 K190F182-M186 WeakPolarHBondContact O-CB 3.32Å; F182-M186 WeakPolarHBondContact O-CG 3.17Å; F182-M186 PolarHBondContact O-N 3.03Å; A183-M186 PolarHBondContact O-N 3.38Å; M186-L189 PolarHBondContact O-N 2.99Å; M186-K190 WeakPolarHBondContact O-CG 3.18Å; M186-K190 PolarHBondContact O-N 2.93Å
187A86Confident74.9Confident46 Ų46123.2 Ų123.238%0.3864%0.64SS.*Hα-helixtrans-66.8-39173.100000112.2A183 K184 L189 K190 N191A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 3.47Å; K184-A187 PolarHBondContact O-N 3.33Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.49Å; A187-K190 PolarHBondContact O-N 3.17Å; A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 PolarHBondContact O-ND2 3.43Å
188A83.6Confident73Confident66 Ų66124.9 Ų124.955%0.54565%0.653SS.*Hα-helixtrans-64.2-35.5177.200000112.8K184 R185K184-A188 PolarHBondContact O-N 2.9Å; R185-A188 PolarHBondContact O-N 3.02Å
189L78.7Confident70.5Confident114 Ų114122.7 Ų122.760%0.59766%0.662SS**Hα-helixtrans-70.1-32.5175.6-70.3173.4000112.8R185 M186 A187R185-L189 WeakPolarHBondContact O-CG 3.36Å; R185-L189 PolarHBondContact O-N 3.42Å; R185-L189 VanDerWaalsContact O-N 3.17Å; M186-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.49Å
190K75.8Confident68Low175 Ų175121.1 Ų121.176%0.76167%0.668SS**Hα-helixtrans-75.6-25.4179.5-72.4-179.2175.7-172.70113.6M186 A187M186-K190 WeakPolarHBondContact O-CG 3.18Å; M186-K190 PolarHBondContact O-N 2.93Å; A187-K190 PolarHBondContact O-N 3.17Å
191N70.4Confident65.3Low133 Ų133123 Ų12371%0.71168%0.682SS**THydrogen-bonded Turntrans-92.811.9179.7-68.3-56.9000113.7A187 P193A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 PolarHBondContact O-ND2 3.43Å; N191-P193 WeakPolarHBondContact O-CD 3.47Å
192K74.1Confident62.8Low167 Ų167123.7 Ų123.773%0.72670%0.697SS**  trans-86.2109.2177.7-156.3168.7-174178.70109.3Q194K192-Q194 PolarHBondContact O-N 3.32Å
193P56.1Low60.3Low108 Ų108123.3 Ų123.370%0.70171%0.71SS**  trans-66.6133.2-179.424.5-31.1000110.9N191 V195N191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-V195 PolarHBondContact O-N 3.29Å
194Q51.4Low57.5Low198 Ų198129.9 Ų129.993%0.92573%0.727SS**  trans-67.6113.9167.5-75.4-175.11600108.8K192K192-Q194 PolarHBondContact O-N 3.32Å
195V41.6Very low54.8Low120 Ų120128.5 Ų128.573%0.72773%0.732SS**  trans-84.4126.1166.9178.20000107.8P193 V197P193-V195 PolarHBondContact O-N 3.29Å; V195-V197 HydrophobicContact CG1-CG2 4.47Å
196P48.7Very low52.2Low125 Ų125129.9 Ų129.981%0.81275%0.745SS**  trans-83.1130.6171.413.90.8000110.5
197V34.3Very low49.8Very low130 Ų130130.1 Ų130.179%0.78875%0.753SS**  trans-123.3133.1166.1179.10000107.9V195V195-V197 HydrophobicContact CG1-CG2 4.47Å
198P44.3Very low47.1Very low128 Ų128134.7 Ų134.783%0.83177%0.766SS**  trans-90145.6-169.534.7-33.2000114
199G32.2Very low44.6Very low81 Ų81140.1 Ų140.184%0.83578%0.78SS**  trans10595.5141.700000119
200S32.1Very low42.6Very low124 Ų124142.8 Ų142.887%0.86779%0.787SS**  trans-175.995.9130.8177.90000110.3
201D33.5Very low40.7Very low149 Ų149146.5 Ų146.580%0.79780%0.796SS**  trans-49.5158.6159.7-87-48.3000112.5
202T35.8Very low38.9Very low126 Ų126144 Ų14477%0.77380%0.802SS**  cis-158.3154.51633.10000106.1
203S36.8Very low37.4Very low114 Ų114145.7 Ų145.780%0.79781%0.809SS**  -164.6135.378.457.50000113.3
204K32.4Very low36.6Very low200 Ų200150.6 Ų150.687%0.8782%0.819SS**  trans-58.9134.8171.1-65.1165177.6169.60111.6
205T29.6Very low36.1Very low132 Ų132150.8 Ų150.881%0.8181%0.812SS**  trans-132.9114.8147-68.10000107
206Q34.5Very low35.7Very low179 Ų179151.6 Ų151.684%0.83681%0.812SS**  trans-76.2130.6172.9-70.4-166.8-0.200109.3
207V33.5Very low35.2Very low118 Ų118155.1 Ų155.172%0.71581%0.814SS**  trans-128.4115.3151.3176.60000107.3H209V207-H209 PolarHBondContact O-N 3.24Å
208E30.1Very low35.1Very low142 Ų142157.6 Ų157.666%0.66482%0.817SS**  trans-50127.3172.8-95.4-164.113100111.7K210E208-K210 WeakPolarHBondContact OE1-CE 3.41Å
209H30.4Very low34.5Very low180 Ų180156.1 Ų156.183%0.83382%0.816SS**  trans-104.4101.8157.5-77.8-93000109V207 R211V207-H209 PolarHBondContact O-N 3.24Å; H209-R211 PolarHBondContact O-N 2.89Å
210K37.2Very low34.6Very low170 Ų170159 Ų15974%0.73982%0.817SS**  trans-74123.9171.1-83.4-177.6177.7168.30110.6E208 G212E208-K210 WeakPolarHBondContact OE1-CE 3.41Å; K210-G212 PolarHBondContact O-N 3.23Å
211R35.3Very low34.5Very low253 Ų253156.4 Ų156.496%0.95581%0.811SS**  trans-58.7122.8172.4-73.9175.8164.2-166.5-4.8111.1H209H209-R211 PolarHBondContact O-N 2.89Å
212G33.6Very low34.7Very low81 Ų81158.1 Ų158.184%0.83581%0.814SS**  trans-108106.9164.800000110.5K210K210-G212 PolarHBondContact O-N 3.23Å
213K41.4Very low34.9Very low201 Ų201159.3 Ų159.387%0.87482%0.815SS**  trans-82.4121.9175.8-178.3165.7-178.3170.90109.6
214K39Very low34.8Very low212 Ų212160.2 Ų160.292%0.92282%0.816SS**  trans-150.3144.2157.5-140171.3-176.81770111.8
215R40.9Very low35.2Very low202 Ų202157.7 Ų157.776%0.76281%0.812SS**  trans-95.3161.1-156.5-63.4160.465.9-175.73.5113.2
216N35Very low35.4Very low137 Ų137156.8 Ų156.873%0.73381%0.811SS**  trans70.9149.2155.7-63.6-7.2000115.7
217K36.4Very low35.2Very low198 Ų198158.1 Ų158.186%0.86181%0.809SS**  cis-160.7150.119.3-158.5170.7175.5177.80108.9
218E32.3Very low35.5Very low183 Ų183158 Ų15886%0.85581%0.811SS**  trans-59.4139.6168.9-174.2175.9-161.600113.1
219A33.5Very low35.9Very low96 Ų96159.3 Ų159.379%0.79382%0.817SS**  trans-174.6122.5142.800000111.5
220T32.7Very low36.2Very low141 Ų141156.2 Ų156.287%0.86581%0.813SS**  trans-40.1146.3161.5-49.60000114.9
221G31.3Very low36Very low71 Ų71158.2 Ų158.273%0.73282%0.822SS**  trans179.2130.5167.200000112
222E37.4Very low36Very low185 Ų185150.9 Ų150.986%0.86482%0.816SS**  trans-81.7162.9-160.3-66.2173.6150.600115.5
223D38.7Very low36.3Very low151 Ų151157 Ų15781%0.80782%0.82SS**  trans5.3127.6137.1-165.557.1000117.1
224V35.8Very low36Very low132 Ų132159.2 Ų159.280%0.882%0.822SS**  trans-174.5124.9135145.50000110.2
225D41.2Very low35.6Very low147 Ų147157.6 Ų157.679%0.78682%0.817SS**  trans-54.3135.4170.2-160.12.3000112.8
226S33.2Very low35.3Very low113 Ų113156.9 Ų156.979%0.7983%0.825SS**  trans-158.7106.4165.8-148.60000113.5
227Y31.1Very low35.3Very low207 Ų207159.5 Ų159.581%0.81283%0.833SS**PPolyproline II helixtrans-73.3136.1171.7-139.6-92.5000111.1
228P39.1Very low35Very low116 Ų116153.8 Ų153.875%0.75383%0.83SS**PPolyproline II helixtrans-91.9122.1175.731.9-28000112.1
229Q38.2Very low35.1Very low169 Ų169154.8 Ų154.879%0.7983%0.832SS**PPolyproline II helixtrans-97.8143.7163-84.6-86.2-12.900110.5
230P36.9Very low35.5Very low116 Ų116155.9 Ų155.975%0.75383%0.831SS**PPolyproline II helixtrans-85.4142.3-173.732.8-32000113.3
231K34.1Very low35.4Very low211 Ų211157.2 Ų157.292%0.91783%0.827SS**PPolyproline II helixtrans-92.5133.2177.4-71.7-172.4178178.80112.9
232A34.8Very low35.3Very low100 Ų100163.3 Ų163.383%0.82683%0.828SS**PPolyproline II helixtrans-74.4150.6173.500000113.4
233K39.5Very low35Very low210 Ų210159.5 Ų159.591%0.91383%0.829SS**PPolyproline II helixtrans-81.2142.1176.5-66178177.5177.20111.4
234R34.4Very low34.6Very low246 Ų246161 Ų16193%0.92883%0.828SS**  trans-121.1145.8164.4-71.8-170.2-171.8-176.83.5111.1
235H31.2Very low34.2Very low178 Ų178159.2 Ų159.282%0.82483%0.827SS**  trans-68.1157.1178.5-80.1-111.5000113.5
236M35.5Very low33.8Very low187 Ų187161.2 Ų161.292%0.92183%0.832SS**  trans-139.5118151.4-82.4-62.9-156.400109.8
237E33.2Very low33.6Very low192 Ų192163.7 Ų163.790%0.89783%0.831SS**  trans-90.9151.5157.3-81.8-172.6144.300109.5
238G29.9Very low33.6Very low78 Ų78165.7 Ų165.780%0.80484%0.837SS**  trans154.3103.3162.300000114.8
239K35.5Very low33.2Very low204 Ų204165.8 Ų165.889%0.88784%0.835SS**  trans-103.2158.1156-86.8-154.5175-169.10109.2
240P41.4Very low32.9Very low119 Ų119161.7 Ų161.777%0.77383%0.83SS**  -145.7163.9104.932.7-13.4000116.7
241E30.1Very low32.6Very low170 Ų170166 Ų16679%0.79484%0.837SS**  trans34.9161.3152.5-73.4-162.3119.900123.8
242R29.9Very low32.5Very low198 Ų198166 Ų16675%0.74784%0.837SS**  cis176.5126.1-30-172.3-179.1-166.6-173.45104.7
243A31.4Very low32.2Very low106 Ų106167.2 Ų167.288%0.87684%0.839SS**  trans-155.5143.4160.400000110.7
244K29.2Very low31.7Very low181 Ų181160.5 Ų160.579%0.78783%0.83SS**  trans-103.2169.3-165.2-76.9-175.9173.5-178.70113.6
245A28.4Very low31.7Very low96 Ų96155.3 Ų155.379%0.79383%0.828SS**  trans94.9133.2158.300000114.6
246Q31.8Very low31.5Very low188 Ų188151.7 Ų151.788%0.87983%0.829SS**  cis-147.8156.532.3-75.5175.9-21.900113.9
247E29.6Very low31.4Very low165 Ų165151.4 Ų151.477%0.77183%0.825SS**  trans-79.6142.8171.3171.5-176.3178.100112.2V249E247-V249 HydrophobicContact CG-CG2 4.22Å
248R31.6Very low31.3Very low250 Ų250150 Ų15094%0.94382%0.819SS**  trans-144.5140.1146.7-74.1-159.1178-134.3-1.3111.6
249V30.2Very low31.5Very low118 Ų118154.4 Ų154.472%0.71582%0.818SS**  trans-98.9156.5-167.1170.30000111.6E247E247-V249 HydrophobicContact CG-CG2 4.22Å
250A31.3Very low31.4Very low83 Ų83151 Ų15169%0.68681%0.81SS**  trans123138.6154.400000112.9
251K32.6Very low30.9Very low207 Ų207156.3 Ų156.390%0.981%0.814SS**  cis-165.3158.21.7-107.9167.7-173.9179.20108.3
252K31.4Very low31.1Very low211 Ų211151.1 Ų151.192%0.91781%0.806SS**  trans-46147.2172.3-96.9167.7164.9173.60116.9
253S27.3Very low31.6Very low124 Ų124147.7 Ų147.787%0.86781%0.809SS**  -172.7152.1121.254.90000111.9
254G29.2Very low31.4Very low70 Ų70148.4 Ų148.472%0.72281%0.807SS**  trans-87.5-164.9-166.800000116.7
255P35.6Very low31.3Very low136 Ų136151.4 Ų151.488%0.88381%0.813SS**  trans-92.4142.2-155.835.6-32000113.4
256A26.9Very low31.2Very low102 Ų102153.9 Ų153.984%0.84381%0.813SS**  trans-115.7125.4166.300000109.7
257E34.2Very low31.1Very low181 Ų181153.4 Ų153.485%0.84681%0.811SS**  trans-65.9125.1172.7-174.4-179.4-163.500109.8
258E30.3Very low31Very low164 Ų164150.7 Ų150.777%0.76681%0.81SS**  trans-137.6104.8169-162.4167-173.200110.8L260E258-L260 HydrophobicContact CG-CD1 4.37Å; E258-L260 HydrophobicContact CG-CG 4.27Å; E258-L260 WeakPolarHBondContact OE1-CD1 3.34Å
259Q34.4Very low31.1Very low169 Ų169144.1 Ų144.179%0.7980%0.803SS**  trans-82.2124159.6-67.2-164.823.800109.1
260L33.5Very low31.1Very low134 Ų134147.9 Ų147.970%0.70281%0.812SS**  trans-141.8101.3155.6-71.1175.4000106.9E258E258-L260 HydrophobicContact CG-CD1 4.37Å; E258-L260 HydrophobicContact CG-CG 4.27Å; E258-L260 WeakPolarHBondContact OE1-CD1 3.34Å
261R30.2Very low31Very low230 Ų230148.7 Ų148.787%0.86882%0.819SS**  63.3105.885.4-168.5178.2-74.7-105.93.5110.5
262G34.8Very low30.9Very low60 Ų60144.8 Ų144.862%0.61982%0.818SS**  trans-68.6165.2178.900000113.1C264G262-C264 PolarHBondContact O-N 3.46Å
263P39.3Very low31Very low126 Ų126138.8 Ų138.882%0.81881%0.807SS**  trans-72115.3-176.5-14.630.2000111.2
264C27Very low31.8Very low122 Ų122138.7 Ų138.782%0.82480%0.804SS**PPolyproline II helixtrans-80.2130.6163.1-173.10000107.7G262 D266G262-C264 PolarHBondContact O-N 3.46Å; C264-D266 PolarHBondContact O-N 3.49Å
265W27.6Very low31.7Very low244 Ų244143 Ų14392%0.92481%0.81SS**PPolyproline II helixtrans-73.6123.2175.5-69.559.1000108
266D26.6Very low31.6Very low148 Ų148140.7 Ų140.779%0.79180%0.802SS**PPolyproline II helixtrans-101.6120.3175-146.9-8.3000108.7C264C264-D266 PolarHBondContact O-N 3.49Å
267Q30.4Very low31.8Very low177 Ų177139.4 Ų139.483%0.82780%0.8SS**  trans-92.8100.1168.2-85.9171.947.200106.8S269Q267-S269 PolarHBondContact O-N 3.49Å
268S27.6Very low31.6Very low108 Ų108139 Ų13976%0.75580%0.803SS**  trans-76.7107.7164.1-62.50000109.1
269S33.3Very low31.7Very low113 Ų113138.6 Ų138.679%0.7980%0.801SS**  trans-111.3107.9155.3-56.40000106.3Q267Q267-S269 PolarHBondContact O-N 3.49Å
270E28.6Very low31.5Very low197 Ų197137.7 Ų137.792%0.92181%0.806SS**  trans-94.9130.4174-128167.7129.700109.3
271A30.2Very low31.6Very low99 Ų99139.2 Ų139.282%0.81881%0.81SS**  trans-98.5153.6178.500000110.6
272S30.6Very low32.5Very low126 Ų126133 Ų13388%0.88180%0.8SS**  trans-132.4123.6155.1-170.40000109.1
273A34Very low32.9Very low84 Ų84135.6 Ų135.669%0.69481%0.805SS**  trans-92-167.9171.700000109.7
274P43.8Very low32.5Very low123 Ų123139 Ų13980%0.79981%0.81SS**  cis-136.9166-8.338.3-20.9000115
275D27.3Very low32.5Very low160 Ų160137 Ų13786%0.85681%0.81SS**  trans-158.7140.5139.6-160.725.8000114
276A33.2Very low32.7Very low87 Ų87129.2 Ų129.272%0.71981%0.806SS**  trans24.6129.6161.800000123.2
277G30.5Very low33Very low76 Ų76129 Ų12978%0.78481%0.805SS**  129.299.1122.700000118.5
278D30.4Very low33.1Very low172 Ų172129.9 Ų129.992%0.9281%0.806SS**  trans90.2140.1141.6-130.2-0.8000121.5
279H31.7Very low33.3Very low156 Ų156130.2 Ų130.272%0.72280%0.804SS**  trans-128.2118.9-148173.9-65.2000109.9
280V31.5Very low33.4Very low149 Ų149133.3 Ų133.390%0.90381%0.811SS**  trans-147.9126.9152.7-175.60000109.9
281Q34.6Very low33.8Very low166 Ų166133 Ų13378%0.77681%0.807SS**  trans-118.5178.8175.1-135-157.417.900109.6
282P48.9Very low34Very low100 Ų100134.4 Ų134.465%0.64981%0.807SS**  -108.3-160.9-113.238.7-20.3000113.9
283P44.4Very low34.3Very low114 Ų114138.7 Ų138.774%0.7481%0.81SS**  -146.3150.7110.933.2-15.2000117.3
284E30Very low34.4Very low197 Ų197144.3 Ų144.392%0.92182%0.819SS**  trans45.5140.4139.1-56.4-156.7172.300121
285G28.3Very low34.1Very low80 Ų80150.3 Ų150.383%0.82583%0.826SS**  cis153.1142.118.100000106.1
286G30.7Very low34.8Very low82 Ų82154.6 Ų154.685%0.84583%0.83SS**  trans161.979.3178.300000114.6
287D32.8Very low34.9Very low142 Ų142153.9 Ų153.976%0.75983%0.831SS**  trans-99.5121.2175.2-1639.6000109.1
288F32.2Very low35.2Very low196 Ų196160.6 Ų160.686%0.8684%0.839SS**  trans-15488.3162.7-76.8-64.8000113.2
289T32.6Very low35.4Very low115 Ų115162.1 Ų162.171%0.70684%0.837SS**  trans38.1121.1133.460.70000121.5
290L34.6Very low35.7Very low179 Ų179164.1 Ų164.194%0.93784%0.844SS**  trans-72.8134.9162.1-66.2164.4000112.1
291K38.2Very low36Very low191 Ų191163.3 Ų163.383%0.8384%0.841SS**  trans-110.1140164.6-75-162.1176.7-177.70112
292P32.9Very low36Very low127 Ų127164.4 Ų164.483%0.82585%0.846SS**PPolyproline II helixtrans-86.4128.817833.1-30.4000111.2
293K38.2Very low35.6Very low216 Ų216169.1 Ų169.194%0.93986%0.856SS**PPolyproline II helixtrans-97.6130.1172.3-89.4-173.5177.3173.50112.5
294K36.5Very low35.3Very low203 Ų203169.7 Ų169.788%0.88386%0.86SS**PPolyproline II helixtrans-57.1150.3-178.8-78.5173.6170.71750114.6
295R37.7Very low35.4Very low249 Ų249166.8 Ų166.894%0.9486%0.856SS**  trans-40.8128.4166.1-59.7165.478.5-179.14.6112.3
296R40.1Very low35.5Very low249 Ų249171.9 Ų171.994%0.9486%0.858SS**  trans-112.4137.3162.5-86.3-172.5165.1-165.4-3.8110.5
297G35.5Very low35.6Very low72 Ų72175.6 Ų175.674%0.74286%0.857SS**PPolyproline II helixtrans-69.1161.3-17100000115.1K299G297-K299 PolarHBondContact O-N 3.46Å
298K36.7Very low35.4Very low218 Ų218173.3 Ų173.395%0.94886%0.857SS**PPolyproline II helixtrans-58.5119.1178.3-64173.5176.9177.60110.8
299K35.8Very low35.4Very low203 Ų203172.9 Ų172.988%0.88386%0.858SS**PPolyproline II helixtrans-94125.6159.4-78.2-173.9174.2-174.50108.7G297G297-K299 PolarHBondContact O-N 3.46Å
300K37.3Very low35.3Very low199 Ų199174.8 Ų174.887%0.86586%0.864SS**PPolyproline II helixtrans-72.2139.1168.2-71.6179.1175.7179.70108.9
301P38.3Very low35.4Very low131 Ų131170.9 Ų170.985%0.85186%0.858SS**PPolyproline II helixtrans-80.9127.2164.729.5-28.8000110.5
302Q34.4Very low35.3Very low189 Ų189167.9 Ų167.988%0.88386%0.856SS**PPolyproline II helixtrans-80.4139.7162.5-72.7173.7-2500108.4
303K40.5Very low35.6Very low199 Ų199167.7 Ų167.787%0.86585%0.854SS**PPolyproline II helixtrans-70.5145.3170.6-87179.6171.7-175.80110
304P37.5Very low35.3Very low127 Ų127166.3 Ų166.383%0.82585%0.851SS**PPolyproline II helixtrans-73.3148167.829.1-30.6000111.9
305V32.5Very low35.1Very low135 Ų135164 Ų16482%0.81884%0.843SS**PPolyproline II helixtrans-69.9143.3180167.80000110.8
306E31.4Very low34.8Very low188 Ų188160.1 Ų160.188%0.87984%0.838SS**PPolyproline II helixtrans-64.9132.1173.9-65.7175.4163.600110.7
307I31.6Very low34.5Very low160 Ų160154.9 Ų154.982%0.82183%0.828SS**PPolyproline II helixtrans-81.7123.1169.2-72167.4000107.4
308A29.6Very low34.4Very low93 Ų93157.6 Ų157.677%0.76983%0.83SS**PPolyproline II helixtrans-87.8126.916700000109
309E32.2Very low34.4Very low187 Ų187156.2 Ų156.287%0.87482%0.824SS**  trans-134.3110152.5-75.1-166.9169.100109.3
310D29.7Very low34.6Very low155 Ų155157 Ų15783%0.82983%0.827SS**  trans0.7125153.3-144.6-8.3000120.5
311A37.8Very low34.5Very low97 Ų97157.4 Ų157.480%0.80283%0.829SS**  trans-155116.9146.700000110
312T35.5Very low34.4Very low129 Ų129161.2 Ų161.279%0.79183%0.832SS**  trans-38.3145.8177.72.60000117.3
313P38.1Very low34.7Very low122 Ų122162 Ų16279%0.79283%0.833SS**  trans-94.6133.8172.435-28.1000112.3
314E32.6Very low34.6Very low187 Ų187161.8 Ų161.887%0.87483%0.832SS**  trans-108.3128165.3-104.6-90.5158.100109.3
315E32.4Very low35Very low155 Ų155165.6 Ų165.672%0.72484%0.835SS**  trans-98.8121-167.6-175.3-174.9-166.100109.1
316M32.3Very low35.7Very low167 Ų167166 Ų16682%0.82383%0.833SS**  trans-13391.6163.9-70-159.283.600111.6
317L32.3Very low36.1Very low139 Ų139162.5 Ų162.573%0.72883%0.829SS**  trans-84.6116.4161.7-74.9168.6000109.6
318V35.1Very low36.8Very low129 Ų129168.2 Ų168.278%0.78285%0.848SS**  trans-116.7111.4163.81800000110.3
319K36.2Very low37.1Very low190 Ų190172 Ų17283%0.82685%0.852SS**PPolyproline II helixtrans-71.3130.3179.7-66.1170.3176.2170.40111.2
320K38.8Very low37.4Very low218 Ų218171.2 Ų171.295%0.94885%0.851SS**PPolyproline II helixtrans-75.7120165.3-92.5-178.6175.5174.30110.4
321K36.3Very low37.8Very low209 Ų209172.1 Ų172.191%0.90985%0.852SS**PPolyproline II helixtrans-79121.9-178-154.2172.7-174.6174.40110.4
322K35.6Very low37.8Very low210 Ų210176.5 Ų176.591%0.91386%0.855SS**  trans-84.5114.7170-168.4173.8-176.2175.50108.1
323K40.3Very low38Very low206 Ų206179.5 Ų179.590%0.89686%0.859SS**  trans-94.9113175.7-154.5176.9-175.9-178.80109
324K38.4Very low37.9Very low195 Ų195183.3 Ų183.385%0.84886%0.864SS**  trans-72.4140.1164.9-130.1179.8178.8-172.50107.5
325K46.9Very low38.3Very low207 Ų207183.1 Ų183.190%0.986%0.863SS**  trans-112.8124.6170.8-165179.7-177.9-174.70106.9
326D45.8Very low38.8Very low144 Ų144185.2 Ų185.277%0.7787%0.874SS**  trans-72.7159.3-178.3-77.5-48.1000113.3
327S40.5Very low39.3Very low114 Ų114186.8 Ų186.880%0.79788%0.878SS**  trans-53.3141.1170.752.10000114.5
328K45.7Very low40Very low280 Ų280191.1 Ų191.1100%1.21789%0.891SS**  trans-147.50132.9-158.4175.3-173.4179.60107.9

Retrieved 328 of 328 residues in 86.3 ms (Link to these results)