A0A087XYN0_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XYN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 912 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
1M43.7Very low77.5Confident239 Ų23988.5 Ų88.5100%1.17750%0.501SS*.  0134.90-67.1161.2178.200106.7
2T50.3Low78.8Confident146 Ų14681.2 Ų81.290%0.89646%0.459SS*.  trans-76.1118.8168.942.10000107.9
3V59.1Low79.9Confident79 Ų7977.9 Ų77.948%0.47944%0.442SS..  trans-75.1130.8175.2179.30000108.2M5 V8V3-M5 HydrophobicContact CB-CE 3.91Å; V3-M5 HydrophobicContact CB-SD 3.92Å; V3-M5 HydrophobicContact CG1-CE 4.37Å; V3-M5 HydrophobicContact CG1-SD 3.75Å; V3-M5 PolarHBondContact O-N 2.98Å; V3-V8 HydrophobicContact CG1-CG2 3.52Å
4D82Confident80.6Confident107 Ų10786.4 Ų86.457%0.57246%0.464SS*.  trans-78106172.2-176.9-21000108.5D6 A7 V8D4-D6 PolarHBondContact OD1-N 3.11Å; D4-A7 HydrophobicContact CB-CB 3.87Å; D4-A7 PolarHBondContact O-N 3.41Å; D4-A7 PolarHBondContact OD1-N 2.76Å; D4-A7 VanDerWaalsContact OD1-N 3.12Å; D4-V8 WeakPolarHBondContact O-CG2 3.37Å; D4-V8 PolarHBondContact O-N 3.02Å
5M84Confident80.9Confident72 Ų7285.6 Ų85.636%0.35547%0.467SS..Hα-helixtrans-73.5-32.7-170.8-56.3-49.7-174.300112.4V3 V8 L9 W32V3-M5 HydrophobicContact CB-CE 3.91Å; V3-M5 HydrophobicContact CB-SD 3.92Å; V3-M5 HydrophobicContact CG1-CE 4.37Å; V3-M5 HydrophobicContact CG1-SD 3.75Å; V3-M5 PolarHBondContact O-N 2.98Å; M5-V8 PolarHBondContact O-N 3.47Å; M5-L9 WeakPolarHBondContact O-CB 3.44Å; M5-L9 PolarHBondContact O-N 3.4Å; M5-W32 HydrophobicContact CB-CD2 4.03Å; M5-W32 HydrophobicContact CB-CE3 3.85Å; M5-W32 HydrophobicContact CB-CH2 3.93Å; M5-W32 HydrophobicContact CB-CZ2 4.09Å; M5-W32 HydrophobicContact CB-CZ3 3.81Å; M5-W32 HydrophobicContact CE-CB 4.05Å; M5-W32 HydrophobicContact CE-CG 3.95Å; M5-W32 HydrophobicContact CG-CD2 4.02Å; M5-W32 HydrophobicContact CG-CE3 4.28Å; M5-W32 HydrophobicContact CG-CG 4.36Å; M5-W32 WeakPolarHBondContact O-CZ3 3.37Å; M5-W32 HydrophobicContact SD-CB 3.61Å; M5-W32 HydrophobicContact SD-CD2 3.51Å; M5-W32 VanDerWaalsContact SD-CD2 3.51Å; M5-W32 HydrophobicContact SD-CE3 3.82Å; M5-W32 HydrophobicContact SD-CG 3.39Å
6D83.9Confident81.3Confident98 Ų9881.7 Ų81.752%0.52445%0.447SS..Hα-helixtrans-76.3-29.4177.5-70.5-42.9000111.1D4 S10 R24D4-D6 PolarHBondContact OD1-N 3.11Å; D6-S10 VanDerWaalsContact O-CB 3.29Å; D6-S10 WeakPolarHBondContact O-CB 3.29Å; D6-S10 PolarHBondContact O-N 3.38Å; D6-S10 PolarHBondContact O-OG 3.09Å; D6-R24 IonicContact OD1-NH2 3.76Å; D6-R24 PolarHBondContact OD1-NH2 3.3Å
7A87.9Confident81.5Confident43 Ų4380.9 Ų80.936%0.35546%0.463SS..Hα-helixtrans-64.9-47.9166.700000112.1D4 L9 S10 D11D4-A7 HydrophobicContact CB-CB 3.87Å; D4-A7 PolarHBondContact O-N 3.41Å; D4-A7 PolarHBondContact OD1-N 2.76Å; D4-A7 VanDerWaalsContact OD1-N 3.12Å; A7-L9 PolarHBondContact O-N 2.84Å; A7-S10 PolarHBondContact O-N 3.29Å; A7-D11 PolarHBondContact O-N 2.75Å
8V89.3Confident81.7Confident28 Ų2876.8 Ų76.817%0.1744%0.44CS..Hα-helixtrans-63-39.6177.8169.20000112V3 D4 M5 F12 L27 W32 F34V3-V8 HydrophobicContact CG1-CG2 3.52Å; D4-V8 WeakPolarHBondContact O-CG2 3.37Å; D4-V8 PolarHBondContact O-N 3.02Å; M5-V8 PolarHBondContact O-N 3.47Å; V8-F12 WeakPolarHBondContact O-CB 3.26Å; V8-F12 PolarHBondContact O-N 2.76Å; V8-L27 HydrophobicContact CG1-CD1 4.11Å; V8-L27 HydrophobicContact CG1-CD2 3.83Å; V8-W32 HydrophobicContact CB-CE3 4.33Å; V8-W32 HydrophobicContact CG1-CE3 4.02Å; V8-F34 HydrophobicContact CG1-CD2 4.25Å
9L90.3Very high82.1Confident18 Ų1879.9 Ų79.99%0.09445%0.45CS..Hα-helixtrans-61.7-46.7173.2-177.156.7000111.5M5 A7 D11 F12 V13 A23 R24 L27 W32M5-L9 WeakPolarHBondContact O-CB 3.44Å; M5-L9 PolarHBondContact O-N 3.4Å; A7-L9 PolarHBondContact O-N 2.84Å; L9-D11 PolarHBondContact O-N 2.6Å; L9-F12 PolarHBondContact O-N 2.83Å; L9-V13 HydrophobicContact CD1-CG2 4.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.47Å; L9-A23 HydrophobicContact CD1-CB 3.69Å; L9-R24 HydrophobicContact CD1-CB 3.91Å; L9-R24 HydrophobicContact CD2-CB 4.25Å; L9-L27 HydrophobicContact CB-CD1 4.38Å; L9-L27 HydrophobicContact CD1-CD1 3.97Å; L9-W32 HydrophobicContact CB-CH2 4.35Å; L9-W32 HydrophobicContact CB-CZ3 3.97Å
10S90.8Very high82.2Confident74 Ų7479.3 Ų79.352%0.51745%0.449SS..Hα-helixtrans-61.9-42.7-179.7-61.70000111.8D6 A7 R14D6-S10 VanDerWaalsContact O-CB 3.29Å; D6-S10 WeakPolarHBondContact O-CB 3.29Å; D6-S10 PolarHBondContact O-N 3.38Å; D6-S10 PolarHBondContact O-OG 3.09Å; A7-S10 PolarHBondContact O-N 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.4Å; S10-R14 PolarHBondContact O-N 3.16Å
11D90.9Very high82.3Confident70 Ų7077.2 Ų77.237%0.37445%0.446SS..Hα-helixtrans-70.2-32.8176.3-84.1-15.8000113.2A7 L9 R14 S15 F34A7-D11 PolarHBondContact O-N 2.75Å; L9-D11 PolarHBondContact O-N 2.6Å; D11-R14 IonicContact OD1-CZ 2.66Å; D11-R14 VanDerWaalsContact OD1-CZ 3.29Å; D11-R14 IonicContact OD1-NE 2.85Å; D11-R14 PolarHBondContact OD1-NE 2.89Å; D11-R14 IonicContact OD1-NH2 3.12Å; D11-R14 PolarHBondContact OD1-NH2 3.16Å; D11-S15 VanDerWaalsContact O-CB 3.28Å; D11-S15 WeakPolarHBondContact O-CB 3.48Å; D11-S15 PolarHBondContact O-N 3.5Å; D11-S15 PolarHBondContact O-OG 3.14Å; D11-F34 HydrophobicContact CB-CE2 4.14Å
12F93.1Very high84.4Confident0 Ų069.3 Ų69.30%041%0.408CS..Hα-helixtrans-68.4-49.7176.1-164.4-88.3000111.2V8 L9 R14 S15 T16 A23 L27 F34 A37 L38 F41V8-F12 WeakPolarHBondContact O-CB 3.26Å; V8-F12 PolarHBondContact O-N 2.76Å; L9-F12 PolarHBondContact O-N 2.83Å; F12-R14 VanDerWaalsContact C-N 3.32Å; F12-R14 PolarHBondContact O-N 2.79Å; F12-S15 PolarHBondContact O-N 2.78Å; F12-S15 PolarHBondContact O-OG 3.12Å; F12-T16 HydrophobicContact CD1-CG2 4.06Å; F12-T16 HydrophobicContact CE1-CG2 3.79Å; F12-T16 HydrophobicContact CE2-CG2 4.25Å; F12-T16 HydrophobicContact CG-CG2 4.43Å; F12-T16 HydrophobicContact CZ-CG2 3.89Å; F12-T16 WeakPolarHBondContact O-CB 3.37Å; F12-T16 WeakPolarHBondContact O-CG2 3.41Å; F12-T16 PolarHBondContact O-N 3.28Å; F12-T16 PolarHBondContact O-OG1 3.02Å; F12-A23 HydrophobicContact CD1-CB 3.78Å; F12-A23 HydrophobicContact CE1-CB 4.4Å; F12-L27 HydrophobicContact CB-CD1 3.78Å; F12-L27 HydrophobicContact CB-CG 4.47Å; F12-L27 HydrophobicContact CD2-CD1 4.49Å; F12-L27 HydrophobicContact CD2-CD2 4.05Å; F12-L27 HydrophobicContact CD2-CG 4.31Å; F12-L27 HydrophobicContact CG-CD1 4.04Å; F12-L27 HydrophobicContact CG-CD2 4.41Å; F12-L27 HydrophobicContact CG-CG 4.24Å; F12-F34 HydrophobicContact CB-CD2 4.27Å; F12-F34 HydrophobicContact CB-CE2 3.97Å; F12-F34 AromaticContact CD2-CD2 3.89Å; F12-F34 HydrophobicContact CD2-CD2 3.89Å; F12-F34 AromaticContact CD2-CE2 3.93Å; F12-F34 HydrophobicContact CD2-CE2 3.93Å; F12-F34 HydrophobicContact CD2-CG 4.32Å; F12-F34 HydrophobicContact CD2-CZ 4.35Å; F12-F34 HydrophobicContact CG-CE2 4.44Å; F12-A37 HydrophobicContact CD2-CB 4.36Å; F12-A37 HydrophobicContact CE2-CB 3.6Å; F12-A37 HydrophobicContact CZ-CB 3.9Å; F12-L38 HydrophobicContact CE2-CB 4.01Å; F12-F41 HydrophobicContact CZ-CB 4.05Å
13V92.9Very high86.2Confident39 Ų3962.4 Ų62.424%0.23637%0.366CS..Hα-helixtrans-55.7-47.4173.1170.20000110.7L9 S15 G17 P20 A23L9-V13 HydrophobicContact CD1-CG2 4.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.47Å; V13-S15 PolarHBondContact O-N 2.68Å; V13-G17 WeakPolarHBondContact O-CA 3.48Å; V13-G17 PolarHBondContact O-N 3.02Å; V13-P20 HydrophobicContact CG1-CG 4.27Å; V13-P20 HydrophobicContact CG2-CB 4.23Å; V13-P20 HydrophobicContact CG2-CG 4.18Å; V13-A23 HydrophobicContact CG2-CB 3.45Å; V13-A23 VanDerWaalsContact CG2-CB 3.45Å
14R90.9Very high87.7Confident197 Ų19763.1 Ų63.174%0.74336%0.36SS*.Hα-helixtrans-65.2-32.6-177.9-178.9165.870.3143.2-1.3114.1S10 D11 F12S10-R14 WeakPolarHBondContact O-CB 3.4Å; S10-R14 PolarHBondContact O-N 3.16Å; D11-R14 IonicContact OD1-CZ 2.66Å; D11-R14 VanDerWaalsContact OD1-CZ 3.29Å; D11-R14 IonicContact OD1-NE 2.85Å; D11-R14 PolarHBondContact OD1-NE 2.89Å; D11-R14 IonicContact OD1-NH2 3.12Å; D11-R14 PolarHBondContact OD1-NH2 3.16Å; F12-R14 VanDerWaalsContact C-N 3.32Å; F12-R14 PolarHBondContact O-N 2.79Å
15S84.3Confident88Confident74 Ų7463.4 Ų63.452%0.51736%0.361SS..Hα-helixtrans-89.8-30.2-178.955.60000113.9D11 F12 V13D11-S15 VanDerWaalsContact O-CB 3.28Å; D11-S15 WeakPolarHBondContact O-CB 3.48Å; D11-S15 PolarHBondContact O-N 3.5Å; D11-S15 PolarHBondContact O-OG 3.14Å; F12-S15 PolarHBondContact O-N 2.78Å; F12-S15 PolarHBondContact O-OG 3.12Å; V13-S15 PolarHBondContact O-N 2.68Å
16T87.3Confident88.2Confident23 Ų2361 Ų6114%0.14135%0.35CS..Hα-helixtrans-97.6-25.3-176.759.80000114.3F12 A18 L38 F41F12-T16 HydrophobicContact CD1-CG2 4.06Å; F12-T16 HydrophobicContact CE1-CG2 3.79Å; F12-T16 HydrophobicContact CE2-CG2 4.25Å; F12-T16 HydrophobicContact CG-CG2 4.43Å; F12-T16 HydrophobicContact CZ-CG2 3.89Å; F12-T16 WeakPolarHBondContact O-CB 3.37Å; F12-T16 WeakPolarHBondContact O-CG2 3.41Å; F12-T16 PolarHBondContact O-N 3.28Å; F12-T16 PolarHBondContact O-OG1 3.02Å; T16-A18 PolarHBondContact O-N 3.48Å; T16-A18 WeakPolarHBondContact OG1-CB 3.33Å; T16-A18 PolarHBondContact OG1-N 3.16Å; T16-L38 HydrophobicContact CG2-CD1 3.56Å; T16-F41 HydrophobicContact CG2-CD1 3.81Å; T16-F41 HydrophobicContact CG2-CE1 4.06Å; T16-F41 HydrophobicContact CG2-CG 4.31Å
17G85.5Confident88.5Confident69 Ų6956.3 Ų56.371%0.71133%0.325SS*.  trans69.314.9-16500000113.5V13V13-G17 WeakPolarHBondContact O-CA 3.48Å; V13-G17 PolarHBondContact O-N 3.02Å
18A84.9Confident88.6Confident7 Ų759 Ų596%0.05833%0.33CS..  trans-67.8143.4178.100000111.8T16 A23 F41T16-A18 PolarHBondContact O-N 3.48Å; T16-A18 WeakPolarHBondContact OG1-CB 3.33Å; T16-A18 PolarHBondContact OG1-N 3.16Å; A18-A23 HydrophobicContact CB-CB 4.2Å; A18-F41 HydrophobicContact CB-CD2 4.15Å; A18-F41 HydrophobicContact CB-CE2 3.6Å; A18-F41 HydrophobicContact CB-CZ 4.09Å
19E89.6Confident88.3Confident135 Ų13560.6 Ų60.663%0.63135%0.352SS*.  trans-55.6129.6170-134.4-62141.400109.4G21 L22 A23E19-G21 PolarHBondContact O-N 3.42Å; E19-G21 PolarHBondContact OE2-N 3.3Å; E19-L22 HydrophobicContact CB-CB 4.44Å; E19-L22 PolarHBondContact O-N 3.44Å; E19-A23 PolarHBondContact O-N 3.4Å
20P84.3Confident88.3Confident67 Ų6762.9 Ų62.944%0.43536%0.361SS..Hα-helixtrans-53.4-29.3-174.1-31.337000115.6V13 R24V13-P20 HydrophobicContact CG1-CG 4.27Å; V13-P20 HydrophobicContact CG2-CB 4.23Å; V13-P20 HydrophobicContact CG2-CG 4.18Å; P20-R24 PolarHBondContact O-N 2.93Å; P20-R24 VanDerWaalsContact O-N 3.13Å
21G82.9Confident88.2Confident37 Ų3766.5 Ų66.538%0.38138%0.375SS..Hα-helixtrans-64.1-52.1171.700000112.4E19 A23 R24 D25E19-G21 PolarHBondContact O-N 3.42Å; E19-G21 PolarHBondContact OE2-N 3.3Å; G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 2.72Å; G21-R24 PolarHBondContact O-N 3.06Å; G21-D25 PolarHBondContact O-N 2.91Å
22L87.8Confident88.1Confident73 Ų7365.3 Ų65.338%0.38237%0.365SS..Hα-helixtrans-64.8-36.1178.7178.862.7000112.1E19 D25 L26E19-L22 HydrophobicContact CB-CB 4.44Å; E19-L22 PolarHBondContact O-N 3.44Å; L22-D25 PolarHBondContact O-N 2.89Å; L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.11Å; L22-L26 HydrophobicContact CG-CD1 4.01Å; L22-L26 HydrophobicContact CG-CG 4.46Å; L22-L26 WeakPolarHBondContact O-CB 3.25Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 2.84Å
23A89Confident87.9Confident0 Ų069.2 Ų69.20%039%0.386CS..Hα-helixtrans-61.7-44174.800000111.9L9 F12 V13 A18 E19 G21 L27L9-A23 HydrophobicContact CD1-CB 3.69Å; F12-A23 HydrophobicContact CD1-CB 3.78Å; F12-A23 HydrophobicContact CE1-CB 4.4Å; V13-A23 HydrophobicContact CG2-CB 3.45Å; V13-A23 VanDerWaalsContact CG2-CB 3.45Å; A18-A23 HydrophobicContact CB-CB 4.2Å; E19-A23 PolarHBondContact O-N 3.4Å; G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 2.72Å; A23-L27 WeakPolarHBondContact O-CB 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.31Å
24R90.5Very high87.7Confident95 Ų9570.7 Ų70.736%0.35839%0.389SS..Hα-helixtrans-67-45.2175.6178167.8-92.7144.5-0.4111.6D6 L9 P20 G21 L26 L27 E28 W32D6-R24 IonicContact OD1-NH2 3.76Å; D6-R24 PolarHBondContact OD1-NH2 3.3Å; L9-R24 HydrophobicContact CD1-CB 3.91Å; L9-R24 HydrophobicContact CD2-CB 4.25Å; P20-R24 PolarHBondContact O-N 2.93Å; P20-R24 VanDerWaalsContact O-N 3.13Å; G21-R24 PolarHBondContact O-N 3.06Å; R24-L26 VanDerWaalsContact C-N 3.32Å; R24-L26 PolarHBondContact O-N 2.86Å; R24-L27 PolarHBondContact O-N 2.71Å; R24-E28 VanDerWaalsContact CD-OE1 3.24Å; R24-E28 WeakPolarHBondContact CD-OE1 3.42Å; R24-E28 HydrophobicContact CG-CG 4.11Å; R24-E28 WeakPolarHBondContact CG-OE1 3.25Å; R24-E28 IonicContact NE-OE1 2.81Å; R24-E28 WeakPolarHBondContact O-CB 3.36Å; R24-E28 WeakPolarHBondContact O-CG 3.22Å; R24-E28 PolarHBondContact O-N 3.23Å; R24-W32 HydrophobicContact CG-CH2 4.47Å
25D87.6Confident87.6Confident113 Ų11366.2 Ų66.260%0.60438%0.384SS*.Hα-helixtrans-57.7-42.6177.6-73.8-13.4000112.2G21 L22 G29G21-D25 PolarHBondContact O-N 2.91Å; L22-D25 PolarHBondContact O-N 2.89Å; D25-G29 PolarHBondContact O-N 3.27Å
26L87.9Confident87.9Confident21 Ų2164.2 Ų64.211%0.1137%0.372CS..Hα-helixtrans-71.4-37.7178.6-71.7172.8000113L22 R24 K30 A37 D40 F41 L44L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.11Å; L22-L26 HydrophobicContact CG-CD1 4.01Å; L22-L26 HydrophobicContact CG-CG 4.46Å; L22-L26 WeakPolarHBondContact O-CB 3.25Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 2.84Å; R24-L26 VanDerWaalsContact C-N 3.32Å; R24-L26 PolarHBondContact O-N 2.86Å; L26-K30 VanDerWaalsContact O-CG 3.29Å; L26-K30 WeakPolarHBondContact O-CG 3.16Å; L26-K30 PolarHBondContact O-N 3.46Å; L26-A37 HydrophobicContact CB-CB 4.39Å; L26-D40 HydrophobicContact CD2-CB 4.17Å; L26-F41 HydrophobicContact CD1-CB 3.97Å; L26-F41 HydrophobicContact CD1-CD2 3.94Å; L26-F41 HydrophobicContact CD1-CG 4.46Å; L26-L44 HydrophobicContact CD1-CD1 4.25Å; L26-L44 HydrophobicContact CD2-CD1 3.87Å
27L90.9Very high88.1Confident0 Ų063.1 Ų63.10%037%0.365CS..Hα-helixtrans-69.6-47.9175.3-76.2166.6000111.6V8 L9 F12 A23 R24 G29 K30 N31 W32 A37V8-L27 HydrophobicContact CG1-CD1 4.11Å; V8-L27 HydrophobicContact CG1-CD2 3.83Å; L9-L27 HydrophobicContact CB-CD1 4.38Å; L9-L27 HydrophobicContact CD1-CD1 3.97Å; F12-L27 HydrophobicContact CB-CD1 3.78Å; F12-L27 HydrophobicContact CB-CG 4.47Å; F12-L27 HydrophobicContact CD2-CD1 4.49Å; F12-L27 HydrophobicContact CD2-CD2 4.05Å; F12-L27 HydrophobicContact CD2-CG 4.31Å; F12-L27 HydrophobicContact CG-CD1 4.04Å; F12-L27 HydrophobicContact CG-CD2 4.41Å; F12-L27 HydrophobicContact CG-CG 4.24Å; A23-L27 WeakPolarHBondContact O-CB 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.31Å; R24-L27 PolarHBondContact O-N 2.71Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.88Å; L27-K30 CarbonylContact O-C 3.41Å; L27-K30 PolarHBondContact O-N 3.45Å; L27-N31 PolarHBondContact O-N 3.26Å; L27-W32 HydrophobicContact CB-CD2 4.13Å; L27-W32 HydrophobicContact CB-CE3 3.81Å; L27-W32 HydrophobicContact CB-CZ3 4.02Å; L27-W32 HydrophobicContact CD1-CE3 3.99Å; L27-W32 HydrophobicContact CD1-CZ3 3.76Å; L27-W32 HydrophobicContact CG-CE3 4.34Å; L27-W32 HydrophobicContact CG-CZ3 4.49Å; L27-W32 WeakPolarHBondContact O-CA 3.4Å; L27-W32 PolarHBondContact O-N 3.44Å; L27-A37 HydrophobicContact CD2-CB 3.77Å; L27-A37 HydrophobicContact CG-CB 4.2Å
28E89.3Confident88.4Confident99 Ų9962.4 Ų62.446%0.46335%0.345SS..Hα-helixtrans-61.1-41.5177.1-73.1-176.1-162.400111.3R24 K30 N31 W32R24-E28 VanDerWaalsContact CD-OE1 3.24Å; R24-E28 WeakPolarHBondContact CD-OE1 3.42Å; R24-E28 HydrophobicContact CG-CG 4.11Å; R24-E28 WeakPolarHBondContact CG-OE1 3.25Å; R24-E28 IonicContact NE-OE1 2.81Å; R24-E28 WeakPolarHBondContact O-CB 3.36Å; R24-E28 WeakPolarHBondContact O-CG 3.22Å; R24-E28 PolarHBondContact O-N 3.23Å; E28-K30 PolarHBondContact O-N 2.92Å; E28-K30 VanDerWaalsContact O-N 3.08Å; E28-N31 PolarHBondContact O-N 3.24Å; E28-N31 VanDerWaalsContact O-N 3.14Å; E28-W32 HydrophobicContact CG-CZ2 3.6Å
29G83.3Confident88.6Confident61 Ų6164.6 Ų64.663%0.62936%0.36SS*.THydrogen-bonded Turntrans-63-10.5173.700000115.4D25 L27D25-G29 PolarHBondContact O-N 3.27Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.88Å
30K91.4Very high88.5Confident66 Ų6660.7 Ų60.729%0.28734%0.343SS..THydrogen-bonded Turntrans-120.919.9176.7-59.5-63.6-172.1-178.60113.1L26 L27 E28 W32 D33 A36 A37 D40L26-K30 VanDerWaalsContact O-CG 3.29Å; L26-K30 WeakPolarHBondContact O-CG 3.16Å; L26-K30 PolarHBondContact O-N 3.46Å; L27-K30 CarbonylContact O-C 3.41Å; L27-K30 PolarHBondContact O-N 3.45Å; E28-K30 PolarHBondContact O-N 2.92Å; E28-K30 VanDerWaalsContact O-N 3.08Å; K30-W32 PolarHBondContact O-N 3.45Å; K30-D33 HydrophobicContact CB-CB 4.46Å; K30-D33 WeakPolarHBondContact O-CB 3.45Å; K30-D33 PolarHBondContact O-N 3.38Å; K30-A36 HydrophobicContact CB-CB 4.12Å; K30-A36 HydrophobicContact CD-CB 3.95Å; K30-A36 HydrophobicContact CG-CB 4.06Å; K30-A37 HydrophobicContact CB-CB 4.44Å; K30-A37 HydrophobicContact CG-CB 4.21Å; K30-D40 WeakPolarHBondContact CE-OD1 3.45Å; K30-D40 WeakPolarHBondContact CE-OD2 3.27Å; K30-D40 IonicContact NZ-OD1 2.74Å; K30-D40 PolarHBondContact NZ-OD1 3.14Å; K30-D40 IonicContact NZ-OD2 2.75Å; K30-D40 PolarHBondContact NZ-OD2 3.3Å
31N88.1Confident88.8Confident150 Ų15058.7 Ų58.780%0.80233%0.327SS*.THydrogen-bonded Turntrans52.535.4-176.2-62.51.2000113.3L27 E28 D33L27-N31 PolarHBondContact O-N 3.26Å; E28-N31 PolarHBondContact O-N 3.24Å; E28-N31 VanDerWaalsContact O-N 3.14Å; N31-D33 VanDerWaalsContact C-N 3.31Å; N31-D33 PolarHBondContact O-N 3.03Å
32W88.6Confident89Confident46 Ų4661.1 Ų61.117%0.17433%0.329CS..THydrogen-bonded Turntrans66.719.7-177.5-60.182.4000115.8M5 V8 L9 R24 L27 E28 K30 F34M5-W32 HydrophobicContact CB-CD2 4.03Å; M5-W32 HydrophobicContact CB-CE3 3.85Å; M5-W32 HydrophobicContact CB-CH2 3.93Å; M5-W32 HydrophobicContact CB-CZ2 4.09Å; M5-W32 HydrophobicContact CB-CZ3 3.81Å; M5-W32 HydrophobicContact CE-CB 4.05Å; M5-W32 HydrophobicContact CE-CG 3.95Å; M5-W32 HydrophobicContact CG-CD2 4.02Å; M5-W32 HydrophobicContact CG-CE3 4.28Å; M5-W32 HydrophobicContact CG-CG 4.36Å; M5-W32 WeakPolarHBondContact O-CZ3 3.37Å; M5-W32 HydrophobicContact SD-CB 3.61Å; M5-W32 HydrophobicContact SD-CD2 3.51Å; M5-W32 VanDerWaalsContact SD-CD2 3.51Å; M5-W32 HydrophobicContact SD-CE3 3.82Å; M5-W32 HydrophobicContact SD-CG 3.39Å; V8-W32 HydrophobicContact CB-CE3 4.33Å; V8-W32 HydrophobicContact CG1-CE3 4.02Å; L9-W32 HydrophobicContact CB-CH2 4.35Å; L9-W32 HydrophobicContact CB-CZ3 3.97Å; R24-W32 HydrophobicContact CG-CH2 4.47Å; L27-W32 HydrophobicContact CB-CD2 4.13Å; L27-W32 HydrophobicContact CB-CE3 3.81Å; L27-W32 HydrophobicContact CB-CZ3 4.02Å; L27-W32 HydrophobicContact CD1-CE3 3.99Å; L27-W32 HydrophobicContact CD1-CZ3 3.76Å; L27-W32 HydrophobicContact CG-CE3 4.34Å; L27-W32 HydrophobicContact CG-CZ3 4.49Å; L27-W32 WeakPolarHBondContact O-CA 3.4Å; L27-W32 PolarHBondContact O-N 3.44Å; E28-W32 HydrophobicContact CG-CZ2 3.6Å; K30-W32 PolarHBondContact O-N 3.45Å; W32-F34 PolarHBondContact O-N 3.37Å; W32-F34 VanDerWaalsContact O-N 3.15Å
33D88.1Confident88.7Confident82 Ų8262.7 Ų62.744%0.43933%0.334SS..  trans-71.6102.6164.2-174.1-28.2000110.5K30 N31 T35 A36 A37K30-D33 HydrophobicContact CB-CB 4.46Å; K30-D33 WeakPolarHBondContact O-CB 3.45Å; K30-D33 PolarHBondContact O-N 3.38Å; N31-D33 VanDerWaalsContact C-N 3.31Å; N31-D33 PolarHBondContact O-N 3.03Å; D33-T35 VanDerWaalsContact C-N 3.26Å; D33-T35 PolarHBondContact O-N 2.61Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 WeakPolarHBondContact OD1-CB 3.17Å; D33-T35 PolarHBondContact OD1-N 3.13Å; D33-A36 HydrophobicContact CB-CB 3.94Å; D33-A36 PolarHBondContact O-N 2.75Å; D33-A36 PolarHBondContact OD1-N 2.83Å; D33-A37 WeakPolarHBondContact O-CB 3.49Å; D33-A37 PolarHBondContact O-N 3.28Å
34F90.1Very high88.2Confident69 Ų6966.2 Ų66.230%0.30335%0.353SS..Hα-helixtrans-54.1-37.9176.9-174.2-80.6000113.2V8 D11 F12 W32 L38V8-F34 HydrophobicContact CG1-CD2 4.25Å; D11-F34 HydrophobicContact CB-CE2 4.14Å; F12-F34 HydrophobicContact CB-CD2 4.27Å; F12-F34 HydrophobicContact CB-CE2 3.97Å; F12-F34 AromaticContact CD2-CD2 3.89Å; F12-F34 HydrophobicContact CD2-CD2 3.89Å; F12-F34 AromaticContact CD2-CE2 3.93Å; F12-F34 HydrophobicContact CD2-CE2 3.93Å; F12-F34 HydrophobicContact CD2-CG 4.32Å; F12-F34 HydrophobicContact CD2-CZ 4.35Å; F12-F34 HydrophobicContact CG-CE2 4.44Å; W32-F34 PolarHBondContact O-N 3.37Å; W32-F34 VanDerWaalsContact O-N 3.15Å; F34-L38 HydrophobicContact CE1-CD2 4.38Å; F34-L38 VanDerWaalsContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CB 3.42Å; F34-L38 PolarHBondContact O-N 3.08Å
35T89.4Confident87.6Confident103 Ų10369.3 Ų69.363%0.63236%0.364SS*.Hα-helixtrans-76-41.8-175.5-44.10000110.6D33 L38 S39D33-T35 VanDerWaalsContact C-N 3.26Å; D33-T35 PolarHBondContact O-N 2.61Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 WeakPolarHBondContact OD1-CB 3.17Å; D33-T35 PolarHBondContact OD1-N 3.13Å; T35-L38 PolarHBondContact O-N 2.87Å; T35-S39 PolarHBondContact O-N 3.46Å
36A89.3Confident86.4Confident32 Ų3270 Ų7026%0.26436%0.364SS..Hα-helixtrans-68.1-37.8175.500000111.9K30 D33 S39 D40K30-A36 HydrophobicContact CB-CB 4.12Å; K30-A36 HydrophobicContact CD-CB 3.95Å; K30-A36 HydrophobicContact CG-CB 4.06Å; D33-A36 HydrophobicContact CB-CB 3.94Å; D33-A36 PolarHBondContact O-N 2.75Å; D33-A36 PolarHBondContact OD1-N 2.83Å; A36-S39 PolarHBondContact O-N 3.04Å; A36-D40 PolarHBondContact O-N 3.25Å
37A92.3Very high84.9Confident0 Ų074.3 Ų74.30%039%0.391CS..Hα-helixtrans-66.3-37.7174.100000111.8F12 L26 L27 K30 D33 D40 F41F12-A37 HydrophobicContact CD2-CB 4.36Å; F12-A37 HydrophobicContact CE2-CB 3.6Å; F12-A37 HydrophobicContact CZ-CB 3.9Å; L26-A37 HydrophobicContact CB-CB 4.39Å; L27-A37 HydrophobicContact CD2-CB 3.77Å; L27-A37 HydrophobicContact CG-CB 4.2Å; K30-A37 HydrophobicContact CB-CB 4.44Å; K30-A37 HydrophobicContact CG-CB 4.21Å; D33-A37 WeakPolarHBondContact O-CB 3.49Å; D33-A37 PolarHBondContact O-N 3.28Å; A37-D40 PolarHBondContact O-N 2.99Å; A37-F41 WeakPolarHBondContact O-CB 3.49Å; A37-F41 PolarHBondContact O-N 3.2Å
38L91.1Very high83Confident54 Ų5481.8 Ų81.828%0.28343%0.426SS..Hα-helixtrans-66.4-40.7178.2-176.962.9000111.1F12 T16 F34 T35 F41 E42F12-L38 HydrophobicContact CE2-CB 4.01Å; T16-L38 HydrophobicContact CG2-CD1 3.56Å; F34-L38 HydrophobicContact CE1-CD2 4.38Å; F34-L38 VanDerWaalsContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CB 3.42Å; F34-L38 PolarHBondContact O-N 3.08Å; T35-L38 PolarHBondContact O-N 2.87Å; L38-F41 PolarHBondContact O-N 3.29Å; L38-E42 WeakPolarHBondContact O-CG 3.44Å; L38-E42 PolarHBondContact O-N 3.16Å
39S89.6Confident81Confident54 Ų5480.4 Ų80.438%0.37843%0.431SS..Hα-helixtrans-63.8-41.6176.3-166.60000112.6T35 A36 E42 Q43T35-S39 PolarHBondContact O-N 3.46Å; A36-S39 PolarHBondContact O-N 3.04Å; S39-E42 PolarHBondContact O-N 3.49Å; S39-Q43 WeakPolarHBondContact O-CG 3.44Å; S39-Q43 PolarHBondContact O-N 3.11Å
40D87.1Confident78.7Confident52 Ų5280.1 Ų80.128%0.27843%0.429SS..Hα-helixtrans-66.4-38.3174.4-85.143.4000111.9L26 K30 A36 A37 Q43 L44L26-D40 HydrophobicContact CD2-CB 4.17Å; K30-D40 WeakPolarHBondContact CE-OD1 3.45Å; K30-D40 WeakPolarHBondContact CE-OD2 3.27Å; K30-D40 IonicContact NZ-OD1 2.74Å; K30-D40 PolarHBondContact NZ-OD1 3.14Å; K30-D40 IonicContact NZ-OD2 2.75Å; K30-D40 PolarHBondContact NZ-OD2 3.3Å; A36-D40 PolarHBondContact O-N 3.25Å; A37-D40 PolarHBondContact O-N 2.99Å; D40-Q43 PolarHBondContact O-N 2.92Å; D40-L44 WeakPolarHBondContact O-CB 3.16Å; D40-L44 PolarHBondContact O-N 2.97Å
41F91.3Very high76Confident25 Ų2582 Ų8211%0.1145%0.45CS..Hα-helixtrans-62.3-44.2173.6-178.4-101.1000112F12 T16 A18 L26 A37 L38 L44 R45F12-F41 HydrophobicContact CZ-CB 4.05Å; T16-F41 HydrophobicContact CG2-CD1 3.81Å; T16-F41 HydrophobicContact CG2-CE1 4.06Å; T16-F41 HydrophobicContact CG2-CG 4.31Å; A18-F41 HydrophobicContact CB-CD2 4.15Å; A18-F41 HydrophobicContact CB-CE2 3.6Å; A18-F41 HydrophobicContact CB-CZ 4.09Å; L26-F41 HydrophobicContact CD1-CB 3.97Å; L26-F41 HydrophobicContact CD1-CD2 3.94Å; L26-F41 HydrophobicContact CD1-CG 4.46Å; A37-F41 WeakPolarHBondContact O-CB 3.49Å; A37-F41 PolarHBondContact O-N 3.2Å; L38-F41 PolarHBondContact O-N 3.29Å; F41-L44 WeakPolarHBondContact O-CB 3.21Å; F41-L44 PolarHBondContact O-N 3.42Å; F41-R45 WeakPolarHBondContact O-CB 3.46Å; F41-R45 PolarHBondContact O-N 2.97Å
42E86.8Confident73.6Confident88 Ų8882.4 Ų82.441%0.41145%0.451SS..Hα-helixtrans-64.6-38.9176.1-73.8-169.4152.200112.2L38 S39 R45 Q46L38-E42 WeakPolarHBondContact O-CG 3.44Å; L38-E42 PolarHBondContact O-N 3.16Å; S39-E42 PolarHBondContact O-N 3.49Å; E42-R45 PolarHBondContact O-N 3.37Å; E42-Q46 WeakPolarHBondContact O-CB 3.48Å; E42-Q46 VanDerWaalsContact O-CG 3.26Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 2.9Å
43Q81.1Confident70.7Confident107 Ų10786.3 Ų86.350%0.548%0.481SS..Hα-helixtrans-63.5-46.1172.7-73.617553.600111.7S39 D40 R45 Q46 V47S39-Q43 WeakPolarHBondContact O-CG 3.44Å; S39-Q43 PolarHBondContact O-N 3.11Å; D40-Q43 PolarHBondContact O-N 2.92Å; Q43-R45 VanDerWaalsContact C-N 3.27Å; Q43-R45 PolarHBondContact O-N 3.33Å; Q43-Q46 PolarHBondContact O-N 3.45Å; Q43-Q46 VanDerWaalsContact O-N 3.17Å; Q43-V47 WeakPolarHBondContact O-CG2 3.46Å; Q43-V47 PolarHBondContact O-N 3.38Å
44L78.4Confident67.8Low74 Ų7492.8 Ų92.839%0.38750%0.5SS..Hα-helixtrans-56.3-40.7173.2-89.3157.8000111.9L26 D40 F41 H48L26-L44 HydrophobicContact CD1-CD1 4.25Å; L26-L44 HydrophobicContact CD2-CD1 3.87Å; D40-L44 WeakPolarHBondContact O-CB 3.16Å; D40-L44 PolarHBondContact O-N 2.97Å; F41-L44 WeakPolarHBondContact O-CB 3.21Å; F41-L44 PolarHBondContact O-N 3.42Å; L44-H48 PolarHBondContact O-N 2.91Å; L44-H48 PolarHBondContact O-ND1 2.79Å
45R77.3Confident64.9Low159 Ų15993.6 Ų93.660%0.652%0.515SS*.Hα-helixtrans-70.9-37.5177.1-152.4-179.475178.50112.3F41 E42 Q43 H48 A49F41-R45 WeakPolarHBondContact O-CB 3.46Å; F41-R45 PolarHBondContact O-N 2.97Å; E42-R45 PolarHBondContact O-N 3.37Å; Q43-R45 VanDerWaalsContact C-N 3.27Å; Q43-R45 PolarHBondContact O-N 3.33Å; R45-H48 PolarHBondContact O-N 3.22Å; R45-A49 PolarHBondContact O-N 3.29Å
46Q63Low61.8Low128 Ų12898.6 Ų98.660%0.59853%0.528SS*.Hα-helixtrans-67.9-37.9175.1-74.5175.440.600112.3E42 Q43 H48 A49 G50E42-Q46 WeakPolarHBondContact O-CB 3.48Å; E42-Q46 VanDerWaalsContact O-CG 3.26Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 2.9Å; Q43-Q46 PolarHBondContact O-N 3.45Å; Q43-Q46 VanDerWaalsContact O-N 3.17Å; Q46-H48 VanDerWaalsContact C-N 3.31Å; Q46-H48 PolarHBondContact O-N 3.22Å; Q46-A49 PolarHBondContact O-N 3.35Å; Q46-G50 PolarHBondContact O-N 2.88Å
47V57.4Low59.2Low112 Ų112102.5 Ų102.568%0.67955%0.551SS**Hα-helixtrans-63.2-37.2174.21710000111.5Q43Q43-V47 WeakPolarHBondContact O-CG2 3.46Å; Q43-V47 PolarHBondContact O-N 3.38Å
48H51.3Low56.2Low156 Ų156111.2 Ų111.272%0.72259%0.591SS**Hα-helixtrans-72.2-29.1173.8-74.685.7000113.4L44 R45 Q46L44-H48 PolarHBondContact O-N 2.91Å; L44-H48 PolarHBondContact O-ND1 2.79Å; R45-H48 PolarHBondContact O-N 3.22Å; Q46-H48 VanDerWaalsContact C-N 3.31Å; Q46-H48 PolarHBondContact O-N 3.22Å
49A46Very low53.2Low70 Ų70114.7 Ų114.758%0.57961%0.61SS**Hα-helixtrans-78.3-29.8173.300000113.2R45 Q46 S51 L52R45-A49 PolarHBondContact O-N 3.29Å; Q46-A49 PolarHBondContact O-N 3.35Å; A49-S51 PolarHBondContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 3.46Å
50G36.2Very low50.3Low56 Ų56122.3 Ų122.358%0.57763%0.631SS**THydrogen-bonded Turntrans-68.2-1.8-171.200000116.6Q46 L52Q46-G50 PolarHBondContact O-N 2.88Å; G50-L52 VanDerWaalsContact C-N 3.32Å
51S34.3Very low47.4Very low106 Ų106125.6 Ų125.674%0.74165%0.652SS**THydrogen-bonded Turntrans-83.5-0.5176.1-168.80000114.1A49A49-S51 PolarHBondContact O-N 3.12Å
52L37.9Very low44.2Very low157 Ų157135 Ų13582%0.82269%0.689SS**  trans-140.286.9-179.5-74.2176.9000113.3A49 G50A49-L52 PolarHBondContact O-N 3.46Å; G50-L52 VanDerWaalsContact C-N 3.32Å
53T27Very low41.5Very low129 Ų129139.2 Ų139.279%0.79171%0.708SS**  trans-143.3117.8159.247.10000112
54Y27.1Very low39.3Very low218 Ų218138.8 Ų138.886%0.85572%0.715SS**  trans-147105.2146.3-151.2-95.8000111.7
55S28.5Very low36.8Very low86 Ų86140 Ų14060%0.60173%0.73SS**  trans43.5112.6143.2-440000120.6
56F25.6Very low34.4Very low208 Ų208139.5 Ų139.591%0.91273%0.734SS**  trans-92152.2148.3-84.2-83.4000110.6
57P35Very low32.8Very low114 Ų114141.2 Ų141.274%0.7474%0.739SS**  -129.5176.1124.937.9-30.9000113.3
58E29.1Very low31.3Very low183 Ų183144.1 Ų144.186%0.85575%0.746SS**  trans-49.7155.6175.3-72.7152.2103.500113.8
59D27.4Very low30Very low126 Ų126144.4 Ų144.467%0.67475%0.749SS**  cis-160.2162.848-166.714.7000114.7
60R29.2Very low29.4Very low214 Ų214145.4 Ų145.481%0.80876%0.758SS**  trans30140.5154.8-88162.7-177.9-166-1.4125.5
61V25.6Very low29Very low121 Ų121154.8 Ų154.873%0.73378%0.776SS**  trans102.3116.4135.2156.70000121
62Y24.4Very low29.1Very low224 Ų224157 Ų15788%0.87878%0.784SS**  trans74145.6153.9-92.5-119.3000123.3
63Q29.3Very low28.6Very low175 Ų175152.7 Ų152.782%0.81878%0.778SS**  trans-94.5174.8162.2-105.2-168.41000109.4
64P36Very low28.6Very low98 Ų98157.9 Ų157.964%0.63678%0.783SS**  cis-139.3175.312.738.8-19.1000117.9
65S26.1Very low28.7Very low100 Ų100153.5 Ų153.570%0.69978%0.781SS**  trans70146.5139.365.40000124.5
66E25.8Very low28.7Very low148 Ų148155.1 Ų155.169%0.69279%0.787SS**  trans85.2124.3155.9-62.2-106.696.600121.1
67K30.5Very low29.1Very low164 Ų164152.3 Ų152.371%0.71378%0.781SS**  trans22.3125.3147.1-47.9179.7-174.686.40120.3
68E24.8Very low29Very low173 Ų173153.5 Ų153.581%0.80878%0.776SS**  -164.6-171.7110.2-120.5-158.8144.800116.4
69M24.8Very low29.1Very low162 Ų162154 Ų15480%0.79877%0.77SS**  trans-58.9151.4-154.1-61.5-170.6-179.600120.9
70A32.3Very low29.3Very low92 Ų92154.5 Ų154.576%0.7677%0.769SS**  trans-27.3150158.400000119.7
71R28.2Very low29.4Very low253 Ų253148.3 Ų148.396%0.95575%0.752SS**  trans-124.3141.1146.9-76.9-174.9173165.2-0110.2
72V37.4Very low30Very low151 Ų151147.7 Ų147.792%0.91574%0.741SS**  trans-86.7133.7-173.6174.70000111.5
73G26.3Very low30.9Very low67 Ų67140.9 Ų140.969%0.69172%0.722SS**  trans-116.2155.1168.600000111.5
74R27Very low31.7Very low238 Ų238137.3 Ų137.390%0.89871%0.712SS**  trans-67.5149.5-171.9-78-179.7170.9175.1-3.5113.9
75P29.4Very low32.2Very low126 Ų126138.3 Ų138.382%0.81871%0.708SS**  trans-74.2151.4173.932.2-35.5000112.6
76V29.4Very low33Very low120 Ų120134.9 Ų134.973%0.72769%0.686SS**  trans-111.7144172.4176.50000108.9H78V76-H78 PolarHBondContact O-N 3.09Å; V76-H78 VanDerWaalsContact O-N 3.11Å
77L33.7Very low34.4Very low149 Ų149131.4 Ų131.478%0.7868%0.675SS**THydrogen-bonded Turntrans-66-11.6-168.2-74.7166.2000116.2R79L77-R79 PolarHBondContact O-N 3.37Å
78H32.7Very low35.6Very low139 Ų139125 Ų12564%0.64465%0.65SS**Hα-helixtrans-58.6-32.9177.3-12046.3000113.2V76 Q80 D81 E82V76-H78 PolarHBondContact O-N 3.09Å; V76-H78 VanDerWaalsContact O-N 3.11Å; H78-Q80 PolarHBondContact O-N 3.14Å; H78-D81 PolarHBondContact O-N 2.72Å; H78-E82 IonicContact CD2-OE1 3.19Å; H78-E82 PolarHBondContact O-N 3.31Å
79R31Very low37.1Very low194 Ų194121.2 Ų121.273%0.73263%0.633SS**Hα-helixtrans-741.2-168.1-146.7-179.6-170.8169.94.5115.2L77 V83L77-R79 PolarHBondContact O-N 3.37Å; R79-V83 WeakPolarHBondContact O-CG2 3.42Å
80Q31.2Very low38.8Very low137 Ų137119 Ų11964%0.6462%0.618SS**Hα-helixtrans-93.8-50.2172-84.7-174.8-39.300111.6H78 E82 V83 V84H78-Q80 PolarHBondContact O-N 3.14Å; Q80-E82 PolarHBondContact O-N 2.9Å; Q80-V83 PolarHBondContact O-N 3.02Å; Q80-V83 VanDerWaalsContact O-N 3.09Å; Q80-V84 WeakPolarHBondContact O-CG2 3.36Å; Q80-V84 PolarHBondContact O-N 3.39Å
81D32Very low40.2Very low84 Ų84116.1 Ų116.145%0.44959%0.588SS.*Hα-helixtrans-64-41.6-179.2-67.6-33.3000111H78 V83 V84 Q85 K530H78-D81 PolarHBondContact O-N 2.72Å; D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 2.96Å; D81-V84 PolarHBondContact O-N 2.96Å; D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 PolarHBondContact O-N 2.87Å; D81-K530 IonicContact OD1-NZ 3.17Å; D81-K530 PolarHBondContact OD1-NZ 2.71Å; D81-K530 IonicContact OD2-NZ 2.64Å; D81-K530 PolarHBondContact OD2-NZ 2.87Å
82E37.1Very low41.7Very low108 Ų108105 Ų10551%0.50555%0.547SS..Hα-helixtrans-55.6-40.8170.6-70.1174.9163.800113H78 Q80 A86H78-E82 IonicContact CD2-OE1 3.19Å; H78-E82 PolarHBondContact O-N 3.31Å; Q80-E82 PolarHBondContact O-N 2.9Å; E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.35Å
83V43.8Very low42.7Very low80 Ų80100.5 Ų100.549%0.48552%0.523SS..Hα-helixtrans-77-36.7-177.3167.30000111.3R79 Q80 D81 V87R79-V83 WeakPolarHBondContact O-CG2 3.42Å; Q80-V83 PolarHBondContact O-N 3.02Å; Q80-V83 VanDerWaalsContact O-N 3.09Å; D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 2.96Å; V83-V87 HydrophobicContact CG1-CG2 4.5Å; V83-V87 VanDerWaalsContact O-CB 3.28Å; V83-V87 WeakPolarHBondContact O-CB 3.16Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 2.8Å
84V46.8Very low44.6Very low100 Ų100101.6 Ų101.661%0.60651%0.506SS*.Hα-helixtrans-65.3-46.8174.1171.50000110.2Q80 D81 V87 S88Q80-V84 WeakPolarHBondContact O-CG2 3.36Å; Q80-V84 PolarHBondContact O-N 3.39Å; D81-V84 PolarHBondContact O-N 2.96Å; V84-V87 PolarHBondContact O-N 2.71Å; V84-S88 PolarHBondContact O-N 3.4Å
85Q46.6Very low46.9Very low120 Ų12090.7 Ų90.756%0.56147%0.468SS*.Hα-helixtrans-62.5-50.4176.8176.4167-15.600111.5D81 V87 S88 E89D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 PolarHBondContact O-N 2.87Å; Q85-V87 PolarHBondContact O-N 3.2Å; Q85-V87 VanDerWaalsContact O-N 3.15Å; Q85-S88 WeakPolarHBondContact O-CA 3.46Å; Q85-S88 WeakPolarHBondContact O-CB 3.38Å; Q85-S88 PolarHBondContact O-N 3.35Å; Q85-E89 HydrophobicContact CG-CG 4.44Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.45Å; Q85-E89 PolarHBondContact NE2-OE1 3.38Å; Q85-E89 WeakPolarHBondContact O-CG 3.1Å; Q85-E89 PolarHBondContact O-N 2.95Å
86A43.3Very low49.1Very low28 Ų2885.2 Ų85.223%0.23143%0.432CS..Hα-helixtrans-68.9-11.3178.300000114.1E82 K90E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.35Å; A86-K90 WeakPolarHBondContact O-CD 3.31Å; A86-K90 WeakPolarHBondContact O-CG 3.11Å; A86-K90 PolarHBondContact O-NZ 3.5Å
87V55Low51.1Low75 Ų7580 Ų8046%0.45540%0.401SS..Hα-helixtrans-85.6-40.1166.2162.80000110.5V83 V84 Q85 K90 R91V83-V87 HydrophobicContact CG1-CG2 4.5Å; V83-V87 VanDerWaalsContact O-CB 3.28Å; V83-V87 WeakPolarHBondContact O-CB 3.16Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 2.8Å; V84-V87 PolarHBondContact O-N 2.71Å; Q85-V87 PolarHBondContact O-N 3.2Å; Q85-V87 VanDerWaalsContact O-N 3.15Å; V87-K90 PolarHBondContact O-N 2.68Å; V87-R91 WeakPolarHBondContact O-CG 3.43Å; V87-R91 PolarHBondContact O-N 3.07Å
88S54.5Low52.8Low28 Ų2877.8 Ų77.820%0.19639%0.386CS..Hα-helixtrans-60.3-50.1174.3-161.50000111.6V84 Q85 K90 R91 L92V84-S88 PolarHBondContact O-N 3.4Å; Q85-S88 WeakPolarHBondContact O-CA 3.46Å; Q85-S88 WeakPolarHBondContact O-CB 3.38Å; Q85-S88 PolarHBondContact O-N 3.35Å; S88-K90 PolarHBondContact O-N 2.78Å; S88-R91 WeakPolarHBondContact O-CA 3.39Å; S88-R91 WeakPolarHBondContact O-CB 3.27Å; S88-R91 PolarHBondContact O-N 2.62Å; S88-L92 WeakPolarHBondContact O-CD1 3.49Å; S88-L92 VanDerWaalsContact O-CG 3.24Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 3.14Å
89E55.9Low54.1Low95 Ų9572.3 Ų72.344%0.44437%0.365SS..Hα-helixtrans-55.5-36.3175.1-68.5160.9-179.800112.3Q85 S93Q85-E89 HydrophobicContact CG-CG 4.44Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.45Å; Q85-E89 PolarHBondContact NE2-OE1 3.38Å; Q85-E89 WeakPolarHBondContact O-CG 3.1Å; Q85-E89 PolarHBondContact O-N 2.95Å; E89-S93 WeakPolarHBondContact O-CB 3.3Å; E89-S93 PolarHBondContact O-N 2.97Å; E89-S93 PolarHBondContact O-OG 3.37Å
90K60.8Low55.9Low114 Ų11463.2 Ų63.250%0.49633%0.331SS..Hα-helixtrans-73.9-25.3174.6-73.3179.9-168.885.40114.1A86 V87 S88 S93 R94A86-K90 WeakPolarHBondContact O-CD 3.31Å; A86-K90 WeakPolarHBondContact O-CG 3.11Å; A86-K90 PolarHBondContact O-NZ 3.5Å; V87-K90 PolarHBondContact O-N 2.68Å; S88-K90 PolarHBondContact O-N 2.78Å; K90-S93 WeakPolarHBondContact CA-OG 3.43Å; K90-S93 PolarHBondContact O-OG 2.82Å; K90-R94 WeakPolarHBondContact O-CD 3.31Å; K90-R94 WeakPolarHBondContact O-CG 3.28Å; K90-R94 PolarHBondContact O-NE 2.63Å
91R62.5Low57.8Low33 Ų3360.1 Ų60.113%0.12533%0.325CS..Hα-helixtrans-77.5-39.2171.1-68.7159.769.6-138.18110.7V87 S88 R94 G95 R148 I151 E152V87-R91 WeakPolarHBondContact O-CG 3.43Å; V87-R91 PolarHBondContact O-N 3.07Å; S88-R91 WeakPolarHBondContact O-CA 3.39Å; S88-R91 WeakPolarHBondContact O-CB 3.27Å; S88-R91 PolarHBondContact O-N 2.62Å; R91-R94 CarbonylContact O-C 3.56Å; R91-R94 WeakPolarHBondContact O-CA 3.29Å; R91-R94 WeakPolarHBondContact O-CB 3.38Å; R91-R94 PolarHBondContact O-N 2.99Å; R91-G95 PolarHBondContact O-N 2.83Å; R91-R148 PolarHBondContact NE-O 3.39Å; R91-R148 PolarHBondContact NH2-O 3.12Å; R91-I151 PolarHBondContact NH2-O 3.49Å; R91-E152 IonicContact CZ-OE2 3Å; R91-E152 IonicContact NH1-OE2 2.74Å; R91-E152 PolarHBondContact NH1-OE2 3.25Å; R91-E152 IonicContact NH2-OE2 3.13Å; R91-E152 PolarHBondContact NH2-OE2 2.9Å
92L59.1Low59.8Low18 Ų1861.6 Ų61.69%0.09434%0.336CS..Hα-helixtrans-71.9-39.7-176.9-65.2159000112.5S88 R94 G95 T183S88-L92 WeakPolarHBondContact O-CD1 3.49Å; S88-L92 VanDerWaalsContact O-CG 3.24Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 3.14Å; L92-R94 PolarHBondContact O-N 2.95Å; L92-R94 VanDerWaalsContact O-N 3.13Å; L92-G95 PolarHBondContact O-N 2.86Å; L92-G95 VanDerWaalsContact O-N 3.09Å; L92-T183 WeakPolarHBondContact CD2-O 3.24Å
93S59.5Low61.7Low58 Ų5857.3 Ų57.341%0.40632%0.317SS..THydrogen-bonded Turntrans-67.5-0.616752.40000114.2E89 K90 H98E89-S93 WeakPolarHBondContact O-CB 3.3Å; E89-S93 PolarHBondContact O-N 2.97Å; E89-S93 PolarHBondContact O-OG 3.37Å; K90-S93 WeakPolarHBondContact CA-OG 3.43Å; K90-S93 PolarHBondContact O-OG 2.82Å; S93-H98 PolarHBondContact O-ND1 3.14Å
94R66.2Low63.4Low90 Ų9053.7 Ų53.734%0.3430%0.295SS..THydrogen-bonded Turntrans-114-8.3170.5-67.9170.6-174-170.8-3.1113.4K90 R91 L92 Y668 R675K90-R94 WeakPolarHBondContact O-CD 3.31Å; K90-R94 WeakPolarHBondContact O-CG 3.28Å; K90-R94 PolarHBondContact O-NE 2.63Å; R91-R94 CarbonylContact O-C 3.56Å; R91-R94 WeakPolarHBondContact O-CA 3.29Å; R91-R94 WeakPolarHBondContact O-CB 3.38Å; R91-R94 PolarHBondContact O-N 2.99Å; L92-R94 PolarHBondContact O-N 2.95Å; L92-R94 VanDerWaalsContact O-N 3.13Å; R94-Y668 VanDerWaalsContact O-CD2 3.26Å; R94-Y668 WeakPolarHBondContact O-CD2 3.29Å; R94-Y668 WeakPolarHBondContact O-CE2 3.3Å; R94-R675 PolarHBondContact O-NH2 3.24Å
95G73.9Confident64.8Low9 Ų952.3 Ų52.39%0.09329%0.29CS..SBendtrans-71.4166.9-174.400000113.7R91 L92 S97 H98 A99R91-G95 PolarHBondContact O-N 2.83Å; L92-G95 PolarHBondContact O-N 2.86Å; L92-G95 VanDerWaalsContact O-N 3.09Å; G95-S97 PolarHBondContact O-N 2.87Å; G95-H98 PolarHBondContact O-N 2.93Å; G95-A99 PolarHBondContact O-N 3.38Å
96I76.8Confident66.2Low11 Ų1152.4 Ų52.46%0.05629%0.293CS..Hα-helixtrans-49.8-38.4-175.5-58.6170.6000112.5H98 F130 L150 M664 I665 Y668I96-H98 VanDerWaalsContact C-N 3.33Å; I96-H98 PolarHBondContact O-N 3.25Å; I96-F130 HydrophobicContact CD1-CZ 4.21Å; I96-L150 HydrophobicContact CD1-CD1 4.32Å; I96-L150 HydrophobicContact CD1-CD2 4.07Å; I96-L150 HydrophobicContact CG1-CD2 3.82Å; I96-M664 HydrophobicContact CG2-CB 3.89Å; I96-I665 HydrophobicContact CD1-CG1 4.36Å; I96-I665 HydrophobicContact CG2-CG1 4.39Å; I96-Y668 HydrophobicContact CG1-CD1 4.21Å; I96-Y668 HydrophobicContact CG1-CD2 4.15Å; I96-Y668 HydrophobicContact CG1-CG 3.85Å
97S69.9Low67.8Low11 Ų1151.4 Ų51.48%0.07729%0.285CS..Hα-helixtrans-69.5-24.6-179.8-43.80000114.5G95 F201 H202G95-S97 PolarHBondContact O-N 2.87Å; S97-F201 VanDerWaalsContact OG-CA 3.28Å; S97-F201 WeakPolarHBondContact OG-CA 3.46Å; S97-H202 PolarHBondContact OG-N 2.9Å; S97-H202 VanDerWaalsContact OG-N 3.12Å; S97-H202 PolarHBondContact OG-ND1 3.39Å
98H70Confident68.9Low101 Ų10148.2 Ų48.247%0.46827%0.265SS..Hα-helixtrans-93.7-38.5-176.8-169.4-103.7000111.9S93 G95 I96 S100S93-H98 PolarHBondContact O-ND1 3.14Å; G95-H98 PolarHBondContact O-N 2.93Å; I96-H98 VanDerWaalsContact C-N 3.33Å; I96-H98 PolarHBondContact O-N 3.25Å; H98-S100 PolarHBondContact O-N 2.97Å
99A59.5Low69.8Low25 Ų2549.4 Ų49.421%0.20727%0.274CS..Hα-helixtrans-58.7-17.8176.500000114.3G95 R667G95-A99 PolarHBondContact O-N 3.38Å; A99-R667 VanDerWaalsContact O-CG 3.25Å; A99-R667 WeakPolarHBondContact O-CG 3.14Å
100S69.5Low70.5Confident3 Ų350.9 Ų50.92%0.02128%0.28CS..THydrogen-bonded Turntrans-132.228.9-163.2-56.80000113.4H98 T102 I103 V104 M664H98-S100 PolarHBondContact O-N 2.97Å; S100-T102 VanDerWaalsContact C-N 3.31Å; S100-T102 PolarHBondContact O-N 2.89Å; S100-T102 VanDerWaalsContact O-N 3.1Å; S100-I103 WeakPolarHBondContact O-CB 3.38Å; S100-I103 PolarHBondContact O-N 2.92Å; S100-V104 WeakPolarHBondContact O-CG2 3.32Å; S100-V104 PolarHBondContact O-N 2.96Å; S100-M664 WeakPolarHBondContact OG-CA 3.41Å; S100-M664 PolarHBondContact OG-O 2.96Å
101S71.2Confident71.1Confident72 Ų7246 Ų4650%0.50326%0.26SS..Hα-helixtrans-48.1-42.6-169.459.40000115.3V104 S105S101-V104 PolarHBondContact O-N 3.27Å; S101-S105 PolarHBondContact O-N 2.79Å; S101-S105 PolarHBondContact O-OG 2.8Å
102T74.8Confident71.3Confident114 Ų11447.6 Ų47.670%0.69928%0.276SS*.Hα-helixtrans-68-37.7178.350.90000113.3S100 L106S100-T102 VanDerWaalsContact C-N 3.31Å; S100-T102 PolarHBondContact O-N 2.89Å; S100-T102 VanDerWaalsContact O-N 3.1Å; T102-L106 PolarHBondContact O-N 3.46Å
103I77.1Confident71.2Confident18 Ų1851.3 Ų51.39%0.09230%0.303CS..Hα-helixtrans-69.4-42176.3-57.4156.7000109.1S100 L106 A107 F660 E663 M664S100-I103 WeakPolarHBondContact O-CB 3.38Å; S100-I103 PolarHBondContact O-N 2.92Å; I103-L106 PolarHBondContact O-N 3.24Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.33Å; I103-F660 HydrophobicContact CG2-CB 3.94Å; I103-E663 HydrophobicContact CD1-CB 4.24Å; I103-E663 VanDerWaalsContact CD1-CD 3.46Å; I103-E663 HydrophobicContact CD1-CG 3.62Å; I103-E663 WeakPolarHBondContact CD1-OE1 3.5Å; I103-E663 HydrophobicContact CG1-CG 4.44Å; I103-M664 HydrophobicContact CB-CG 4.28Å; I103-M664 HydrophobicContact CG2-CG 3.81Å
104V77.7Confident70.8Confident5 Ų551.7 Ų51.73%0.0330%0.303CS..Hα-helixtrans-60.6-47.9176.3170.10000111.1S100 S101 L106 A107 R108 F201 M664S100-V104 WeakPolarHBondContact O-CG2 3.32Å; S100-V104 PolarHBondContact O-N 2.96Å; S101-V104 PolarHBondContact O-N 3.27Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.01Å; V104-A107 PolarHBondContact O-N 3.17Å; V104-R108 HydrophobicContact CG1-CG 4.45Å; V104-R108 VanDerWaalsContact CG1-NH2 3.29Å; V104-R108 WeakPolarHBondContact O-CG 2.97Å; V104-R108 PolarHBondContact O-N 3.05Å; V104-F201 HydrophobicContact CG1-CB 4.18Å; V104-F201 HydrophobicContact CG1-CD1 4.44Å; V104-F201 HydrophobicContact CG1-CG 4.16Å; V104-F201 HydrophobicContact CG2-CB 4.15Å; V104-M664 HydrophobicContact CG2-CG 4.43Å; V104-M664 HydrophobicContact CG2-SD 3.47Å; V104-M664 WeakPolarHBondContact CG2-SD 3.18Å
105S77.4Confident69.8Low70 Ų7048.9 Ų48.949%0.4930%0.303SS..Hα-helixtrans-60.3-40.2176.1-670000112.7S101 S109S101-S105 PolarHBondContact O-N 2.79Å; S101-S105 PolarHBondContact O-OG 2.8Å; S105-S109 PolarHBondContact O-N 3.25Å
106L76.2Confident68.1Low122 Ų12250.9 Ų50.964%0.63932%0.323SS*.Hα-helixtrans-64.6-45.8174.5-175.862.7000111.5T102 I103 V104 R108 S109 H110T102-L106 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 3.24Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.01Å; L106-R108 PolarHBondContact O-N 2.65Å; L106-S109 PolarHBondContact O-N 2.04Å; L106-S109 PolarHBondContact O-OG 2.33Å; L106-H110 PolarHBondContact O-N 2.83Å
107A76.4Confident66.1Low7 Ų757 Ų576%0.05837%0.367CS..Hα-helixtrans-63.5-40.7178.700000112.5I103 V104 H110 V111 F201 F660I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.33Å; V104-A107 PolarHBondContact O-N 3.17Å; A107-H110 WeakPolarHBondContact O-CB 3.49Å; A107-H110 PolarHBondContact O-N 3.05Å; A107-V111 WeakPolarHBondContact O-CG2 3.5Å; A107-V111 PolarHBondContact O-N 2.99Å; A107-F201 HydrophobicContact CB-CD1 4.45Å; A107-F201 HydrophobicContact CB-CE1 3.67Å; A107-F201 HydrophobicContact CB-CZ 4.41Å; A107-F660 HydrophobicContact CB-CD2 3.63Å; A107-F660 HydrophobicContact CB-CE2 3.77Å; A107-F660 HydrophobicContact CB-CG 4.1Å; A107-F660 HydrophobicContact CB-CZ 4.33Å
108R78.9Confident64.6Low8 Ų860.9 Ų60.93%0.0339%0.394CS..Hα-helixtrans-60.7-42.8171.1-69.7-174.6-157.1-64.1-7112.6V104 L106 H110 V111 S112 F201 H202 D205 M207V104-R108 HydrophobicContact CG1-CG 4.45Å; V104-R108 VanDerWaalsContact CG1-NH2 3.29Å; V104-R108 WeakPolarHBondContact O-CG 2.97Å; V104-R108 PolarHBondContact O-N 3.05Å; L106-R108 PolarHBondContact O-N 2.65Å; R108-H110 VanDerWaalsContact C-N 3.27Å; R108-H110 PolarHBondContact O-N 2.83Å; R108-V111 PolarHBondContact O-N 2.93Å; R108-S112 WeakPolarHBondContact O-CB 3.24Å; R108-S112 PolarHBondContact O-N 3.28Å; R108-S112 PolarHBondContact O-OG 3.04Å; R108-F201 HydrophobicContact CG-CE2 3.89Å; R108-F201 HydrophobicContact CG-CZ 4.02Å; R108-F201 VanDerWaalsContact NH1-CD2 3.34Å; R108-H202 PolarHBondContact NH1-O 3.47Å; R108-H202 PolarHBondContact NH2-O 3.4Å; R108-D205 WeakPolarHBondContact CD-OD1 3.42Å; R108-D205 WeakPolarHBondContact CD-OD2 3.39Å; R108-D205 IonicContact CZ-OD1 3.59Å; R108-D205 IonicContact NE-OD1 3.58Å; R108-D205 PolarHBondContact NE-OD1 3.37Å; R108-D205 IonicContact NE-OD2 2.78Å; R108-M207 HydrophobicContact CB-CE 4.33Å; R108-M207 HydrophobicContact CB-SD 4.16Å; R108-M207 HydrophobicContact CG-CE 4.07Å; R108-M207 HydrophobicContact CG-SD 4.38Å
109S72.2Confident63.2Low54 Ų5461.9 Ų61.938%0.37841%0.413SS..Hα-helixtrans-63.2-36178.177.10000111.6S105 L106 S112 S113S105-S109 PolarHBondContact O-N 3.25Å; L106-S109 PolarHBondContact O-N 2.04Å; L106-S109 PolarHBondContact O-OG 2.33Å; S109-S112 PolarHBondContact O-N 3.24Å; S109-S113 WeakPolarHBondContact O-CB 3.39Å; S109-S113 PolarHBondContact O-N 2.99Å; S109-S113 PolarHBondContact O-OG 3.27Å
110H71.8Confident62.7Low126 Ų12665.2 Ų65.258%0.58342%0.424SS*.Hα-helixtrans-66.3-50173.1-168.8-62.6000111.7L106 A107 R108 S112 S113 T114L106-H110 PolarHBondContact O-N 2.83Å; A107-H110 WeakPolarHBondContact O-CB 3.49Å; A107-H110 PolarHBondContact O-N 3.05Å; R108-H110 VanDerWaalsContact C-N 3.27Å; R108-H110 PolarHBondContact O-N 2.83Å; H110-S112 PolarHBondContact O-N 2.78Å; H110-S113 PolarHBondContact O-N 3.25Å; H110-S113 VanDerWaalsContact O-N 3.16Å; H110-T114 PolarHBondContact O-N 3.02Å; H110-T114 PolarHBondContact O-OG1 3.33Å; H110-T114 VanDerWaalsContact O-OG1 3.1Å
111V72.9Confident61.9Low11 Ų1170.7 Ų70.77%0.06746%0.459CS..Hα-helixtrans-57.8-35.3176.4172.20000111.9A107 R108 W199 M207A107-V111 WeakPolarHBondContact O-CG2 3.5Å; A107-V111 PolarHBondContact O-N 2.99Å; R108-V111 PolarHBondContact O-N 2.93Å; V111-W199 HydrophobicContact CG1-CH2 4.18Å; V111-W199 HydrophobicContact CG1-CZ2 3.62Å; V111-W199 HydrophobicContact CG2-CD2 4.44Å; V111-W199 HydrophobicContact CG2-CG 4.46Å; V111-W199 HydrophobicContact CG2-CZ2 4.33Å; V111-M207 HydrophobicContact CG1-CE 4.37Å
112S66.3Low61.5Low66 Ų6671.2 Ų71.246%0.46246%0.456SS..Hα-helixtrans-76.8-33.6178-55.40000113.4R108 S109 H110 M207R108-S112 WeakPolarHBondContact O-CB 3.24Å; R108-S112 PolarHBondContact O-N 3.28Å; R108-S112 PolarHBondContact O-OG 3.04Å; S109-S112 PolarHBondContact O-N 3.24Å; H110-S112 PolarHBondContact O-N 2.78Å; S112-M207 PolarHBondContact OG-SD 3.09Å
113S56.3Low61.4Low96 Ų9667 Ų6767%0.67143%0.429SS*.Hα-helixtrans-89.7-14.3-170.1-58.50000114S109 H110 G115S109-S113 WeakPolarHBondContact O-CB 3.39Å; S109-S113 PolarHBondContact O-N 2.99Å; S109-S113 PolarHBondContact O-OG 3.27Å; H110-S113 PolarHBondContact O-N 3.25Å; H110-S113 VanDerWaalsContact O-N 3.16Å; S113-G115 PolarHBondContact O-N 2.85Å
114T51.7Low61.3Low66 Ų6670.1 Ų70.141%0.40545%0.446SS..THydrogen-bonded Turntrans-74.5-9.9175.6-54.60000113H110 G116 D124H110-T114 PolarHBondContact O-N 3.02Å; H110-T114 PolarHBondContact O-OG1 3.33Å; H110-T114 VanDerWaalsContact O-OG1 3.1Å; T114-G116 PolarHBondContact O-N 3.01Å; T114-D124 HydrophobicContact CG2-CB 3.72Å
115G44.6Very low61.6Low32 Ų3270.2 Ų70.233%0.3345%0.446SS..SBendtrans-65.597.7169.900000111.7S113S113-G115 PolarHBondContact O-N 2.85Å
116G38.2Very low61.8Low50 Ų5068.1 Ų68.152%0.51543%0.431SS..  trans-67.8168.1-17300000115.5T114 S118T114-G116 PolarHBondContact O-N 3.01Å; G116-S118 PolarHBondContact O-N 3.01Å
117S34.9Very low62Low141 Ų14167.3 Ų67.399%0.98643%0.427SS*.SBendtrans-66.823.9-171.1-170.50000116.9
118S38.9Very low62.3Low91 Ų9167.3 Ų67.364%0.63643%0.426SS*.SBendtrans-97.2156.3169.749.70000111G116 E120G116-S118 PolarHBondContact O-N 3.01Å; S118-E120 PolarHBondContact O-N 3.38Å
119S40.5Very low62.6Low123 Ų12367.1 Ų67.186%0.8643%0.426SS*.SBendtrans-71.424.3-169.661.40000116.8
120E49.6Very low63.5Low95 Ų9564.8 Ų64.844%0.44441%0.409SS..SBendtrans-135.9111.9-178.3-78.3-79136.600108.1S118 L122S118-E120 PolarHBondContact O-N 3.38Å; E120-L122 PolarHBondContact O-N 3.32Å
121P52.9Low64.4Low118 Ų11859.7 Ų59.777%0.76639%0.386SS*.  trans-76.274.5-177.531.7-35.2000111.2L123P121-L123 PolarHBondContact O-N 3.05Å
122L62.4Low65.3Low82 Ų8259.2 Ų59.243%0.42938%0.383SS..  trans-72.4117.3178.1-179.357.3000110.9E120 R300E120-L122 PolarHBondContact O-N 3.32Å; L122-R300 VanDerWaalsContact CD1-NH1 3.32Å
123L73.4Confident66.4Low27 Ų2756.7 Ų56.714%0.14137%0.365CS..  trans-69.1130.7169-64.5176.4000110.3P121 T125 L208 V298P121-L123 PolarHBondContact O-N 3.05Å; L123-T125 HydrophobicContact CB-CG2 4.3Å; L123-T125 PolarHBondContact O-N 3Å; L123-L208 HydrophobicContact CD1-CD2 3.89Å; L123-V298 HydrophobicContact CD1-CG1 3.98Å
124D75.2Confident68Low82 Ų8253.4 Ų53.444%0.43934%0.34SS..  trans-80.398.9170.6-174.629.2000109.6T114T114-D124 HydrophobicContact CG2-CB 3.72Å
125T83.2Confident69.9Low7 Ų750.3 Ų50.34%0.04332%0.321CS..  trans-96.4132.7-177.755.70000111.1L123 M198 W199 L299 H339L123-T125 HydrophobicContact CB-CG2 4.3Å; L123-T125 PolarHBondContact O-N 3Å; T125-M198 HydrophobicContact CG2-SD 4.26Å; T125-W199 HydrophobicContact CG2-CZ2 4.33Å; T125-L299 HydrophobicContact CG2-CB 4.39Å; T125-L299 HydrophobicContact CG2-CD2 3.82Å; T125-L299 PolarHBondContact OG1-O 3.1Å; T125-L299 VanDerWaalsContact OG1-O 3.05Å; T125-H339 WeakPolarHBondContact CA-NE2 3.5Å; T125-H339 WeakPolarHBondContact CB-NE2 3.49Å; T125-H339 PolarHBondContact O-NE2 3.15Å; T125-H339 PolarHBondContact OG1-CD2 3.41Å; T125-H339 PolarHBondContact OG1-NE2 3.41Å
126P82.1Confident72Confident26 Ų2652.7 Ų52.717%0.16933%0.329CS..  trans-68.6139.2-179.527.4-34000111.2C128 M198 W199 R301P126-C128 PolarHBondContact O-N 3.38Å; P126-M198 HydrophobicContact CG-CB 3.77Å; P126-M198 HydrophobicContact CG-CG 4.39Å; P126-W199 VanDerWaalsContact CD-NE1 3.33Å; P126-R301 PolarHBondContact O-NH1 2.86Å
127L79.2Confident74.6Confident105 Ų10553.9 Ų53.955%0.5533%0.326SS..SBendtrans-59.4-27.8174-83.9158.7000113.3H339L127-H339 HydrophobicContact CD2-CB 4.38Å; L127-H339 WeakPolarHBondContact CD2-ND1 3.19Å
128C83.1Confident77.3Confident7 Ų750.4 Ų50.45%0.04729%0.292CS..SBendtrans-92.1156.7-173.156.60000113.4P126 R301 T653 S655P126-C128 PolarHBondContact O-N 3.38Å; C128-R301 PolarHBondContact O-NH1 3.2Å; C128-T653 CarbonylContact C-O 3.47Å; C128-T653 VanDerWaalsContact CA-O 3.24Å; C128-T653 WeakPolarHBondContact CA-O 3.43Å; C128-S655 WeakPolarHBondContact CB-OG 3.18Å; C128-S655 PolarHBondContact SG-OG 3.46Å
129T86Confident80Confident5 Ų554.7 Ų54.73%0.03129%0.294CS..BIsolated β-bridgetrans-88.1140159-53.50000109.1G197 R301 V356 T653T129-G197 WeakPolarHBondContact CA-O 3.45Å; T129-G197 WeakPolarHBondContact CG2-O 3.22Å; T129-R301 PolarHBondContact OG1-NH2 2.86Å; T129-V356 HydrophobicContact CG2-CG1 4.33Å; T129-T653 PolarHBondContact N-O 3.34Å
130F90.1Very high82.5Confident4 Ų454.8 Ų54.82%0.01829%0.285CS..PPolyproline II helixtrans-58.1142.9172.7175.6-94.4000111.1I96 L132 L181 G197 V356 Q661 I665I96-F130 HydrophobicContact CD1-CZ 4.21Å; F130-L132 HydrophobicContact CE1-CD2 4.42Å; F130-L181 HydrophobicContact CD1-CD1 4.27Å; F130-L181 HydrophobicContact CE1-CD1 4.32Å; F130-G197 PolarHBondContact N-O 2.93Å; F130-V356 HydrophobicContact CD1-CG1 4.32Å; F130-V356 WeakPolarHBondContact O-CB 3.39Å; F130-V356 WeakPolarHBondContact O-CG1 3.39Å; F130-Q661 HydrophobicContact CE2-CB 4.37Å; F130-I665 HydrophobicContact CE2-CD1 3.86Å; F130-I665 HydrophobicContact CZ-CD1 3.66Å; F130-I665 HydrophobicContact CZ-CG1 4.19Å
131Q91.2Very high84.6Confident20 Ų2052.9 Ų52.99%0.09328%0.278CS..  trans-119.6136174.9-62.4-162-91.800111.5S357 M358 E359 T654 R657Q131-S357 WeakPolarHBondContact CA-O 3.41Å; Q131-S357 PolarHBondContact NE2-OG 3.49Å; Q131-M358 PolarHBondContact NE2-O 2.92Å; Q131-M358 VanDerWaalsContact NE2-O 3.1Å; Q131-E359 HydrophobicContact CB-CG 4.12Å; Q131-T654 VanDerWaalsContact CD-CB 3.46Å; Q131-T654 HydrophobicContact CG-CG2 3.69Å; Q131-T654 VanDerWaalsContact OE1-CB 3.28Å; Q131-T654 PolarHBondContact OE1-OG1 3.1Å; Q131-R657 PolarHBondContact O-NE 3.03Å; Q131-R657 PolarHBondContact O-NH2 2.69Å
132L90.9Very high86.6Confident0 Ų047.9 Ų47.90%024%0.244CC..BIsolated β-bridgetrans-65.8152.6167.3-77.8169.3000110.9F130 L150 I151 L179 L181 V356 S357 M358 E359 R657F130-L132 HydrophobicContact CE1-CD2 4.42Å; L132-L150 HydrophobicContact CD2-CD1 3.84Å; L132-I151 HydrophobicContact CD1-CD1 3.63Å; L132-L179 HydrophobicContact CD1-CB 4.45Å; L132-L179 HydrophobicContact CD1-CD1 3.97Å; L132-L181 HydrophobicContact CD1-CD2 3.86Å; L132-L181 HydrophobicContact CD2-CD2 3.95Å; L132-L181 HydrophobicContact CG-CD2 4.05Å; L132-V356 HydrophobicContact CD1-CG2 3.84Å; L132-V356 HydrophobicContact CG-CG2 3.89Å; L132-S357 PolarHBondContact N-O 3.28Å; L132-M358 HydrophobicContact CB-CG 4Å; L132-M358 CarbonylContact O-C 3.55Å; L132-M358 WeakPolarHBondContact O-CA 3.38Å; L132-E359 PolarHBondContact O-N 3.01Å; L132-R657 PolarHBondContact O-NH2 3.25Å; L132-R657 VanDerWaalsContact O-NH2 3.1Å
133P90.4Very high88.1Confident13 Ų1347 Ų478%0.08424%0.235CC..  trans-62.4159.5170.828.5-35.2000110L135 I665 L669P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 HydrophobicContact CG-CD2 3.92Å; P133-L135 PolarHBondContact O-N 3.21Å; P133-I665 HydrophobicContact CB-CG2 4.23Å; P133-I665 HydrophobicContact CG-CG2 3.81Å; P133-L669 HydrophobicContact CG-CD1 4.41Å
134D90.1Very high89Confident28 Ų2848.5 Ų48.515%0.1525%0.248CC..  trans-63.391.7170.3179.51.4000109.6T136 V137D134-T136 PolarHBondContact O-N 3.06Å; D134-T136 WeakPolarHBondContact OD1-CA 3.3Å; D134-T136 VanDerWaalsContact OD1-CB 3.24Å; D134-T136 WeakPolarHBondContact OD1-CB 3.17Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.25Å; D134-T136 PolarHBondContact OD1-N 3.16Å; D134-T136 PolarHBondContact OD1-OG1 3.37Å; D134-V137 HydrophobicContact CB-CG1 4.14Å; D134-V137 WeakPolarHBondContact O-CG2 3.45Å; D134-V137 PolarHBondContact O-N 3.48Å; D134-V137 WeakPolarHBondContact OD2-CG1 3.48Å
135L90.8Very high89.7Confident0 Ų044.7 Ų44.70%023%0.227CC..G310 helixtrans-68.5-10.4180-64.8-177.2000112.6P133 V137 Y138 R143 I146 E147 M358P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 HydrophobicContact CG-CD2 3.92Å; P133-L135 PolarHBondContact O-N 3.21Å; L135-V137 VanDerWaalsContact C-N 3.28Å; L135-V137 PolarHBondContact O-N 2.71Å; L135-Y138 HydrophobicContact CD2-CD2 4.42Å; L135-Y138 HydrophobicContact CD2-CE2 4.47Å; L135-Y138 PolarHBondContact O-N 3.25Å; L135-R143 HydrophobicContact CB-CG 4.39Å; L135-R143 WeakPolarHBondContact O-CD 3.38Å; L135-I146 HydrophobicContact CD1-CG2 3.99Å; L135-I146 HydrophobicContact CD2-CD1 4.32Å; L135-I146 HydrophobicContact CD2-CG2 3.79Å; L135-E147 HydrophobicContact CD1-CG 3.99Å; L135-M358 HydrophobicContact CB-SD 4.19Å; L135-M358 HydrophobicContact CG-SD 4.42Å
136T89.8Confident90.2Very high82 Ų8244.4 Ų44.450%0.50323%0.225SC..G310 helixtrans-76.1-14.2179.782.30000113D134 Y138D134-T136 PolarHBondContact O-N 3.06Å; D134-T136 WeakPolarHBondContact OD1-CA 3.3Å; D134-T136 VanDerWaalsContact OD1-CB 3.24Å; D134-T136 WeakPolarHBondContact OD1-CB 3.17Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.25Å; D134-T136 PolarHBondContact OD1-N 3.16Å; D134-T136 PolarHBondContact OD1-OG1 3.37Å; T136-Y138 PolarHBondContact O-N 2.68Å
137V91.5Very high90.6Very high75 Ų7545 Ų4546%0.45523%0.226SC..G310 helixtrans-73.4-14.4174.2-48.30000113.4D134 L135 K361D134-V137 HydrophobicContact CB-CG1 4.14Å; D134-V137 WeakPolarHBondContact O-CG2 3.45Å; D134-V137 PolarHBondContact O-N 3.48Å; D134-V137 WeakPolarHBondContact OD2-CG1 3.48Å; L135-V137 VanDerWaalsContact C-N 3.28Å; L135-V137 PolarHBondContact O-N 2.71Å; V137-K361 HydrophobicContact CG1-CD 4.27Å
138Y91.8Very high91.1Very high68 Ų6845 Ų4527%0.26722%0.219SC..SBendtrans-94.7152.5-179.9-60.8-74.8000111.5L135 T136 F142 L669L135-Y138 HydrophobicContact CD2-CD2 4.42Å; L135-Y138 HydrophobicContact CD2-CE2 4.47Å; L135-Y138 PolarHBondContact O-N 3.25Å; T136-Y138 PolarHBondContact O-N 2.68Å; Y138-F142 AromaticContact CD1-CD1 3.77Å; Y138-F142 HydrophobicContact CD1-CD1 3.77Å; Y138-F142 AromaticContact CD1-CE1 3.85Å; Y138-F142 HydrophobicContact CD1-CE1 3.85Å; Y138-F142 HydrophobicContact CE1-CE1 4.16Å; Y138-F142 HydrophobicContact CG-CD1 4.09Å; Y138-F142 HydrophobicContact CG-CE1 4.36Å; Y138-L669 HydrophobicContact CE2-CD2 4.34Å
139R94.9Very high91.2Very high181 Ų18145.2 Ų45.268%0.68322%0.219SC*.  trans-57.1144.7172.3-65.3163.550.1116.7-3.3110.9D141 F142 R143R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 IonicContact CZ-OD1 3.23Å; R139-D141 IonicContact CZ-OD2 3.1Å; R139-D141 IonicContact NE-OD1 3.96Å; R139-D141 PolarHBondContact NE-OD1 3.38Å; R139-D141 IonicContact NE-OD2 2.78Å; R139-D141 IonicContact NH2-OD1 3.72Å; R139-D141 IonicContact NH2-OD2 3.82Å; R139-D141 PolarHBondContact NH2-OD2 3.36Å; R139-D141 PolarHBondContact O-N 2.65Å; R139-D141 VanDerWaalsContact O-N 3.09Å; R139-F142 PolarHBondContact O-N 3.4Å; R139-F142 VanDerWaalsContact O-N 3.1Å; R139-R143 VanDerWaalsContact O-CB 3.31Å; R139-R143 WeakPolarHBondContact O-CB 3.38Å; R139-R143 PolarHBondContact O-N 2.94Å
140D93.9Very high91.5Very high125 Ų12545.5 Ų45.567%0.66822%0.221SC*.Hα-helixtrans-54.2-33.8-177.3-54.7-54.3000114S144D140-S144 WeakPolarHBondContact O-CB 3.34Å; D140-S144 PolarHBondContact O-N 3.02Å; D140-S144 PolarHBondContact O-OG 3.07Å
141D94.1Very high91.7Very high56 Ų5645.5 Ų45.530%0.29922%0.221SC..Hα-helixtrans-70.6-42.5179.858.9-12.8000113.1R139 F145 F676R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 IonicContact CZ-OD1 3.23Å; R139-D141 IonicContact CZ-OD2 3.1Å; R139-D141 IonicContact NE-OD1 3.96Å; R139-D141 PolarHBondContact NE-OD1 3.38Å; R139-D141 IonicContact NE-OD2 2.78Å; R139-D141 IonicContact NH2-OD1 3.72Å; R139-D141 IonicContact NH2-OD2 3.82Å; R139-D141 PolarHBondContact NH2-OD2 3.36Å; R139-D141 PolarHBondContact O-N 2.65Å; R139-D141 VanDerWaalsContact O-N 3.09Å; D141-F145 PolarHBondContact O-N 2.91Å; D141-F676 HydrophobicContact CB-CE2 4.47Å; D141-F676 HydrophobicContact CB-CZ 3.98Å; D141-F676 WeakPolarHBondContact O-CE2 3.24Å
142F94Very high91.9Very high13 Ų1345.6 Ų45.66%0.05722%0.221CC..Hα-helixtrans-77-36.5174-178.2-132.8000112.2Y138 R139 S144 F145 I146 A672 E673 F676Y138-F142 AromaticContact CD1-CD1 3.77Å; Y138-F142 HydrophobicContact CD1-CD1 3.77Å; Y138-F142 AromaticContact CD1-CE1 3.85Å; Y138-F142 HydrophobicContact CD1-CE1 3.85Å; Y138-F142 HydrophobicContact CE1-CE1 4.16Å; Y138-F142 HydrophobicContact CG-CD1 4.09Å; Y138-F142 HydrophobicContact CG-CE1 4.36Å; R139-F142 PolarHBondContact O-N 3.4Å; R139-F142 VanDerWaalsContact O-N 3.1Å; F142-S144 PolarHBondContact O-N 2.72Å; F142-F145 HydrophobicContact CD2-CB 4.48Å; F142-F145 HydrophobicContact CD2-CD1 4.31Å; F142-F145 HydrophobicContact CE2-CD1 4.19Å; F142-F145 WeakPolarHBondContact O-CA 3.46Å; F142-F145 WeakPolarHBondContact O-CB 3.37Å; F142-F145 PolarHBondContact O-N 2.84Å; F142-I146 HydrophobicContact CD1-CD1 4.03Å; F142-I146 HydrophobicContact CD2-CD1 4.47Å; F142-I146 HydrophobicContact CD2-CG1 4.47Å; F142-I146 HydrophobicContact CE1-CD1 3.61Å; F142-I146 HydrophobicContact CE1-CG1 4.47Å; F142-I146 HydrophobicContact CE2-CD1 4.07Å; F142-I146 HydrophobicContact CE2-CG1 4.05Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 HydrophobicContact CZ-CD1 3.63Å; F142-I146 HydrophobicContact CZ-CG1 4.06Å; F142-I146 PolarHBondContact O-N 3.32Å; F142-A672 HydrophobicContact CE2-CB 4.19Å; F142-A672 HydrophobicContact CZ-CB 4.23Å; F142-E673 HydrophobicContact CE1-CG 3.73Å; F142-E673 HydrophobicContact CE2-CB 4.49Å; F142-E673 HydrophobicContact CE2-CG 4.15Å; F142-E673 HydrophobicContact CZ-CB 4.12Å; F142-E673 HydrophobicContact CZ-CG 3.42Å; F142-E673 VanDerWaalsContact CZ-CG 3.42Å; F142-F676 HydrophobicContact CB-CD1 4.21Å; F142-F676 HydrophobicContact CB-CE1 3.99Å; F142-F676 HydrophobicContact CB-CZ 4.16Å; F142-F676 HydrophobicContact CD2-CB 3.72Å; F142-F676 AromaticContact CD2-CD1 3.79Å; F142-F676 HydrophobicContact CD2-CD1 3.79Å; F142-F676 HydrophobicContact CD2-CD2 4.16Å; F142-F676 HydrophobicContact CD2-CE1 4.42Å; F142-F676 AromaticContact CD2-CG 3.63Å; F142-F676 HydrophobicContact CD2-CG 3.63Å; F142-F676 HydrophobicContact CE2-CB 3.91Å; F142-F676 HydrophobicContact CE2-CG 4.32Å; F142-F676 HydrophobicContact CG-CD1 4.29Å; F142-F676 HydrophobicContact CG-CG 4.5Å
143R93.8Very high92Very high63 Ų6349.5 Ų49.524%0.23824%0.239CC..Hα-helixtrans-57.9-48.6172.4180-177.6171.71722.8111.1L135 R139 F145 I146 E147L135-R143 HydrophobicContact CB-CG 4.39Å; L135-R143 WeakPolarHBondContact O-CD 3.38Å; R139-R143 VanDerWaalsContact O-CB 3.31Å; R139-R143 WeakPolarHBondContact O-CB 3.38Å; R139-R143 PolarHBondContact O-N 2.94Å; R143-F145 PolarHBondContact O-N 3.1Å; R143-I146 PolarHBondContact O-N 3.05Å; R143-I146 VanDerWaalsContact O-N 3.11Å; R143-E147 HydrophobicContact CG-CG 4.33Å; R143-E147 IonicContact CZ-OE1 2.83Å; R143-E147 VanDerWaalsContact CZ-OE1 3.23Å; R143-E147 IonicContact NE-OE1 3.85Å; R143-E147 PolarHBondContact NE-OE1 3.08Å; R143-E147 IonicContact NE-OE2 3.47Å; R143-E147 IonicContact NH2-OE1 3.63Å; R143-E147 PolarHBondContact NH2-OE1 3.43Å; R143-E147 WeakPolarHBondContact O-CB 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.11Å; R143-E147 PolarHBondContact O-N 2.9Å
144S91.9Very high92.1Very high59 Ų5952.1 Ų52.141%0.41326%0.258SS..Hα-helixtrans-65.3-16175.7-58.30000113.6D140 F142 R148D140-S144 WeakPolarHBondContact O-CB 3.34Å; D140-S144 PolarHBondContact O-N 3.02Å; D140-S144 PolarHBondContact O-OG 3.07Å; F142-S144 PolarHBondContact O-N 2.72Å; S144-R148 VanDerWaalsContact O-CG 3.3Å; S144-R148 WeakPolarHBondContact O-CG 3.14Å; S144-R148 PolarHBondContact O-NE 3.17Å
145F91.1Very high92.4Very high2 Ų250.9 Ų50.91%0.00925%0.252CS..Hα-helixtrans-81.4-46.9169.6177.2-85.4000110.8D141 F142 R143 R148 D149 A672 R675 F676 E679D141-F145 PolarHBondContact O-N 2.91Å; F142-F145 HydrophobicContact CD2-CB 4.48Å; F142-F145 HydrophobicContact CD2-CD1 4.31Å; F142-F145 HydrophobicContact CE2-CD1 4.19Å; F142-F145 WeakPolarHBondContact O-CA 3.46Å; F142-F145 WeakPolarHBondContact O-CB 3.37Å; F142-F145 PolarHBondContact O-N 2.84Å; R143-F145 PolarHBondContact O-N 3.1Å; F145-R148 WeakPolarHBondContact O-CB 3.23Å; F145-R148 PolarHBondContact O-N 3.01Å; F145-D149 PolarHBondContact O-N 3.43Å; F145-A672 HydrophobicContact CE1-CB 4.2Å; F145-A672 VanDerWaalsContact CE1-O 3.32Å; F145-A672 WeakPolarHBondContact CE1-O 3.22Å; F145-R675 HydrophobicContact CE1-CB 4.26Å; F145-R675 HydrophobicContact CZ-CB 3.72Å; F145-F676 HydrophobicContact CB-CD2 3.67Å; F145-F676 HydrophobicContact CB-CE2 4.18Å; F145-F676 HydrophobicContact CD1-CB 4Å; F145-F676 HydrophobicContact CD1-CD2 4.42Å; F145-F676 HydrophobicContact CD2-CB 4.3Å; F145-F676 AromaticContact CD2-CD2 3.84Å; F145-F676 HydrophobicContact CD2-CD2 3.84Å; F145-F676 HydrophobicContact CE1-CB 4.13Å; F145-F676 HydrophobicContact CE2-CB 4.42Å; F145-F676 HydrophobicContact CG-CB 4.11Å; F145-F676 AromaticContact CG-CD2 3.73Å; F145-F676 HydrophobicContact CG-CD2 3.73Å; F145-F676 HydrophobicContact CG-CG 4.35Å; F145-F676 HydrophobicContact CZ-CB 4.34Å; F145-E679 HydrophobicContact CE2-CB 4.38Å
146I92.4Very high92.6Very high0 Ų052.7 Ų52.70%026%0.261CS..Hα-helixtrans-61.8-44.9175.5-67.3165.1000111.6L135 F142 R143 R148 D149 L150 Y668 L669 A672L135-I146 HydrophobicContact CD1-CG2 3.99Å; L135-I146 HydrophobicContact CD2-CD1 4.32Å; L135-I146 HydrophobicContact CD2-CG2 3.79Å; F142-I146 HydrophobicContact CD1-CD1 4.03Å; F142-I146 HydrophobicContact CD2-CD1 4.47Å; F142-I146 HydrophobicContact CD2-CG1 4.47Å; F142-I146 HydrophobicContact CE1-CD1 3.61Å; F142-I146 HydrophobicContact CE1-CG1 4.47Å; F142-I146 HydrophobicContact CE2-CD1 4.07Å; F142-I146 HydrophobicContact CE2-CG1 4.05Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 HydrophobicContact CZ-CD1 3.63Å; F142-I146 HydrophobicContact CZ-CG1 4.06Å; F142-I146 PolarHBondContact O-N 3.32Å; R143-I146 PolarHBondContact O-N 3.05Å; R143-I146 VanDerWaalsContact O-N 3.11Å; I146-R148 PolarHBondContact O-N 3.06Å; I146-D149 PolarHBondContact O-N 2.83Å; I146-D149 VanDerWaalsContact O-N 3.1Å; I146-L150 HydrophobicContact CG2-CD1 3.6Å; I146-L150 HydrophobicContact CG2-CG 3.99Å; I146-L150 PolarHBondContact O-N 2.84Å; I146-Y668 HydrophobicContact CG2-CE1 4.08Å; I146-L669 HydrophobicContact CD1-CD2 3.69Å; I146-A672 HydrophobicContact CG1-CB 4.41Å
147E92Very high92.9Very high40 Ų4052.4 Ų52.419%0.18726%0.258CS..Hα-helixtrans-67.5-21.6-179.5-72177.6166.800112.7L135 R143 I151 Q153L135-E147 HydrophobicContact CD1-CG 3.99Å; R143-E147 HydrophobicContact CG-CG 4.33Å; R143-E147 IonicContact CZ-OE1 2.83Å; R143-E147 VanDerWaalsContact CZ-OE1 3.23Å; R143-E147 IonicContact NE-OE1 3.85Å; R143-E147 PolarHBondContact NE-OE1 3.08Å; R143-E147 IonicContact NE-OE2 3.47Å; R143-E147 IonicContact NH2-OE1 3.63Å; R143-E147 PolarHBondContact NH2-OE1 3.43Å; R143-E147 WeakPolarHBondContact O-CB 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.11Å; R143-E147 PolarHBondContact O-N 2.9Å; E147-I151 HydrophobicContact CB-CG1 4.37Å; E147-I151 HydrophobicContact CG-CG1 4.38Å; E147-I151 WeakPolarHBondContact O-CB 3.2Å; E147-I151 PolarHBondContact O-N 3.17Å; E147-Q153 VanDerWaalsContact C-NE2 3.32Å; E147-Q153 PolarHBondContact O-NE2 2.8Å
148R88.4Confident93.1Very high104 Ų10450.4 Ų50.439%0.39225%0.25SC..Hα-helixtrans-72.2-39.3169.2-83.1-176.6-70.1147-12.5112.3R91 S144 F145 I146 E679R91-R148 PolarHBondContact NE-O 3.39Å; R91-R148 PolarHBondContact NH2-O 3.12Å; S144-R148 VanDerWaalsContact O-CG 3.3Å; S144-R148 WeakPolarHBondContact O-CG 3.14Å; S144-R148 PolarHBondContact O-NE 3.17Å; F145-R148 WeakPolarHBondContact O-CB 3.23Å; F145-R148 PolarHBondContact O-N 3.01Å; I146-R148 PolarHBondContact O-N 3.06Å; R148-E679 IonicContact CZ-OE1 3.13Å; R148-E679 IonicContact NH1-OE1 3.29Å; R148-E679 PolarHBondContact NH1-OE1 3.24Å; R148-E679 VanDerWaalsContact NH1-OE1 3.15Å; R148-E679 IonicContact NH1-OE2 3.7Å; R148-E679 IonicContact NH2-OE1 3.62Å; R148-E679 PolarHBondContact NH2-OE1 3.46Å
149D86.5Confident93.3Very high11 Ų1147.2 Ų47.26%0.05924%0.237CC..Hα-helixtrans-81-38.5-178.2-89.45.2000112.7F145 I146 R675F145-D149 PolarHBondContact O-N 3.43Å; I146-D149 PolarHBondContact O-N 2.83Å; I146-D149 VanDerWaalsContact O-N 3.1Å; D149-R675 IonicContact OD2-CZ 3.72Å; D149-R675 IonicContact OD2-NH1 2.75Å; D149-R675 PolarHBondContact OD2-NH1 2.91Å; D149-R675 IonicContact OD2-NH2 2.77Å
150L91.5Very high93.4Very high12 Ų1240.9 Ų40.96%0.06322%0.216CC..Hα-helixtrans-92.8-35.5-172.9-65-171.9000115.8I96 L132 I146 L181 A182 Y668I96-L150 HydrophobicContact CD1-CD1 4.32Å; I96-L150 HydrophobicContact CD1-CD2 4.07Å; I96-L150 HydrophobicContact CG1-CD2 3.82Å; L132-L150 HydrophobicContact CD2-CD1 3.84Å; I146-L150 HydrophobicContact CG2-CD1 3.6Å; I146-L150 HydrophobicContact CG2-CG 3.99Å; I146-L150 PolarHBondContact O-N 2.84Å; L150-L181 WeakPolarHBondContact O-CA 3.32Å; L150-A182 PolarHBondContact O-N 3.2Å; L150-Y668 HydrophobicContact CD1-CD1 4.4Å; L150-Y668 HydrophobicContact CD1-CE1 3.72Å; L150-Y668 HydrophobicContact CD2-CD2 4.34Å; L150-Y668 HydrophobicContact CD2-CE1 3.95Å; L150-Y668 HydrophobicContact CD2-CE2 3.72Å; L150-Y668 HydrophobicContact CG-CE1 3.95Å; L150-Y668 HydrophobicContact CG-CE2 4.39Å
151I94.4Very high93.5Very high4 Ų441.4 Ų41.42%0.02122%0.218CC..BIsolated β-bridgetrans-101.1134.6-168.5-50.3-51.5000109.9R91 L132 E147 Q153 M156 L179 P180 L181R91-I151 PolarHBondContact NH2-O 3.49Å; L132-I151 HydrophobicContact CD1-CD1 3.63Å; E147-I151 HydrophobicContact CB-CG1 4.37Å; E147-I151 HydrophobicContact CG-CG1 4.38Å; E147-I151 WeakPolarHBondContact O-CB 3.2Å; E147-I151 PolarHBondContact O-N 3.17Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 3.36Å; I151-M156 HydrophobicContact CG2-CE 4.37Å; I151-M156 HydrophobicContact CG2-SD 3.83Å; I151-L179 HydrophobicContact CD1-CB 4.02Å; I151-L179 HydrophobicContact CD1-CD1 4.16Å; I151-P180 CarbonylContact C-O 3.49Å; I151-P180 WeakPolarHBondContact CA-O 3.41Å; I151-P180 HydrophobicContact CG2-CG 4.36Å; I151-P180 WeakPolarHBondContact CG2-O 3.48Å; I151-L181 HydrophobicContact CD1-CD2 4.28Å
152E94.8Very high93.4Very high21 Ų2140.5 Ų40.510%0.09822%0.219CC..  trans-81.378.8174-166.338-108.800111.4R91 S154 M155 M156 P180R91-E152 IonicContact CZ-OE2 3Å; R91-E152 IonicContact NH1-OE2 2.74Å; R91-E152 PolarHBondContact NH1-OE2 3.25Å; R91-E152 IonicContact NH2-OE2 3.13Å; R91-E152 PolarHBondContact NH2-OE2 2.9Å; E152-S154 PolarHBondContact O-N 2.8Å; E152-S154 WeakPolarHBondContact OE1-CB 3.43Å; E152-S154 PolarHBondContact OE1-N 2.91Å; E152-S154 PolarHBondContact OE1-OG 3.01Å; E152-M155 HydrophobicContact CB-CB 4.43Å; E152-M155 HydrophobicContact CG-CB 4Å; E152-M155 PolarHBondContact O-N 3.34Å; E152-M156 PolarHBondContact O-N 3.45Å; E152-P180 PolarHBondContact N-O 3.26Å
153Q93.4Very high93.5Very high82 Ų8241 Ų4138%0.38323%0.227SC..Hα-helixtrans-57.5-31.3-173.9-59.5-175.15.500113E147 I151 V157E147-Q153 VanDerWaalsContact C-NE2 3.32Å; E147-Q153 PolarHBondContact O-NE2 2.8Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 3.36Å; Q153-V157 WeakPolarHBondContact O-CB 3.46Å; Q153-V157 VanDerWaalsContact O-CG2 3.28Å; Q153-V157 WeakPolarHBondContact O-CG2 3.37Å; Q153-V157 PolarHBondContact O-N 3.21Å
154S93.2Very high93.6Very high68 Ų6840 Ų4048%0.47622%0.223SC..Hα-helixtrans-65.4-52.417965.60000111.4E152 V157 A158E152-S154 PolarHBondContact O-N 2.8Å; E152-S154 WeakPolarHBondContact OE1-CB 3.43Å; E152-S154 PolarHBondContact OE1-N 2.91Å; E152-S154 PolarHBondContact OE1-OG 3.01Å; S154-V157 PolarHBondContact O-N 3Å; S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.15Å
155M95.3Very high93.9Very high3 Ų337.1 Ų37.12%0.01520%0.203CC..Hα-helixtrans-62.5-41175.2179.6-179.9-58.800112E152 A158 L159 P180 A346 D348 H351E152-M155 HydrophobicContact CB-CB 4.43Å; E152-M155 HydrophobicContact CG-CB 4Å; E152-M155 PolarHBondContact O-N 3.34Å; M155-A158 PolarHBondContact O-N 2.83Å; M155-L159 HydrophobicContact CG-CD1 3.69Å; M155-L159 HydrophobicContact CG-CG 4.27Å; M155-L159 WeakPolarHBondContact O-CB 3.42Å; M155-L159 WeakPolarHBondContact O-CG 3.27Å; M155-L159 PolarHBondContact O-N 2.77Å; M155-L159 HydrophobicContact SD-CD1 4.4Å; M155-P180 HydrophobicContact SD-CB 4.22Å; M155-A346 HydrophobicContact CG-CB 4.28Å; M155-A346 HydrophobicContact SD-CB 3.39Å; M155-A346 WeakPolarHBondContact SD-CB 3.43Å; M155-D348 HydrophobicContact CB-CB 4.28Å; M155-D348 HydrophobicContact CE-CB 4.16Å; M155-D348 HydrophobicContact CG-CB 3.77Å; M155-H351 HydrophobicContact CE-CB 4.17Å; M155-H351 WeakPolarHBondContact CE-O 3.27Å
156M96.3Very high94.2Very high38 Ų3837 Ų3719%0.18720%0.203CC..Hα-helixtrans-58.8-53.6178-167.3173.470.300111I151 E152 A158 L159 E160 L165 L179 P180I151-M156 HydrophobicContact CG2-CE 4.37Å; I151-M156 HydrophobicContact CG2-SD 3.83Å; E152-M156 PolarHBondContact O-N 3.45Å; M156-A158 PolarHBondContact O-N 2.98Å; M156-L159 PolarHBondContact O-N 3.42Å; M156-E160 WeakPolarHBondContact O-CB 3.38Å; M156-E160 WeakPolarHBondContact O-CG 3.32Å; M156-E160 PolarHBondContact O-N 2.89Å; M156-L165 HydrophobicContact CG-CD2 4.35Å; M156-L179 HydrophobicContact SD-CD2 3.8Å; M156-P180 HydrophobicContact CB-CG 3.63Å; M156-P180 HydrophobicContact CG-CG 4.16Å
157V95.9Very high94.4Very high75 Ų7538.5 Ų38.546%0.45521%0.208SC..Hα-helixtrans-66.1-37.6-179.4172.40000111.3Q153 S154 N161Q153-V157 WeakPolarHBondContact O-CB 3.46Å; Q153-V157 VanDerWaalsContact O-CG2 3.28Å; Q153-V157 WeakPolarHBondContact O-CG2 3.37Å; Q153-V157 PolarHBondContact O-N 3.21Å; S154-V157 PolarHBondContact O-N 3Å; V157-N161 VanDerWaalsContact CG1-ND2 3.32Å; V157-N161 WeakPolarHBondContact CG1-ND2 3.21Å; V157-N161 WeakPolarHBondContact O-CB 3.41Å; V157-N161 PolarHBondContact O-N 2.8Å; V157-N161 VanDerWaalsContact O-N 3.07Å; V157-N161 PolarHBondContact O-ND2 3.39Å
158A94.8Very high94.5Very high33 Ų3336.7 Ų36.727%0.27320%0.2SC..Hα-helixtrans-62.2-52.1175.900000112S154 M155 M156 N161 A162S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.15Å; M155-A158 PolarHBondContact O-N 2.83Å; M156-A158 PolarHBondContact O-N 2.98Å; A158-N161 PolarHBondContact O-N 2.89Å; A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.24Å; A158-A162 PolarHBondContact O-N 2.89Å
159L96.9Very high94.8Very high2 Ų233.1 Ų33.11%0.0119%0.19CC..Hα-helixtrans-73.8-31-176.1-64.6176.7000113.2M155 M156 G163 R164 L165 A346M155-L159 HydrophobicContact CG-CD1 3.69Å; M155-L159 HydrophobicContact CG-CG 4.27Å; M155-L159 WeakPolarHBondContact O-CB 3.42Å; M155-L159 WeakPolarHBondContact O-CG 3.27Å; M155-L159 PolarHBondContact O-N 2.77Å; M155-L159 HydrophobicContact SD-CD1 4.4Å; M156-L159 PolarHBondContact O-N 3.42Å; L159-G163 PolarHBondContact O-N 2.91Å; L159-R164 HydrophobicContact CB-CB 4.49Å; L159-R164 HydrophobicContact CD2-CB 4.36Å; L159-R164 WeakPolarHBondContact O-CA 3.38Å; L159-R164 PolarHBondContact O-N 2.95Å; L159-L165 HydrophobicContact CB-CB 3.65Å; L159-L165 HydrophobicContact CB-CD2 4.34Å; L159-L165 PolarHBondContact O-N 3.38Å; L159-A346 HydrophobicContact CD1-CB 3.77Å
160E96.9Very high95.1Very high48 Ų4839.2 Ų39.222%0.22422%0.216CC..Hα-helixtrans-71.1-40.2172.9-72.5-166.7167.500112.2M156 G163 L165 N166M156-E160 WeakPolarHBondContact O-CB 3.38Å; M156-E160 WeakPolarHBondContact O-CG 3.32Å; M156-E160 PolarHBondContact O-N 2.89Å; E160-G163 PolarHBondContact O-N 2.85Å; E160-G163 VanDerWaalsContact O-N 3.15Å; E160-L165 HydrophobicContact CG-CB 4.07Å; E160-L165 HydrophobicContact CG-CD2 4.28Å; E160-L165 HydrophobicContact CG-CG 4.11Å; E160-N166 HydrophobicContact CG-CB 4.29Å; E160-N166 WeakPolarHBondContact OE1-CB 3.32Å; E160-N166 PolarHBondContact OE1-ND2 3.07Å
161N95Very high95.1Very high135 Ų13541.7 Ų41.772%0.72223%0.231SC*.Hα-helixtrans-69.8-31.9175.8-74.3-29.1000112.5V157 A158 G163V157-N161 VanDerWaalsContact CG1-ND2 3.32Å; V157-N161 WeakPolarHBondContact CG1-ND2 3.21Å; V157-N161 WeakPolarHBondContact O-CB 3.41Å; V157-N161 PolarHBondContact O-N 2.8Å; V157-N161 VanDerWaalsContact O-N 3.07Å; V157-N161 PolarHBondContact O-ND2 3.39Å; A158-N161 PolarHBondContact O-N 2.89Å; N161-G163 PolarHBondContact O-N 2.9Å
162A93.6Very high94.9Very high38 Ų3841.9 Ų41.931%0.31423%0.232SC..THydrogen-bonded Turntrans-73.8-1.7171.700000113.6A158 R164 D308A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.24Å; A158-A162 PolarHBondContact O-N 2.89Å; A162-R164 VanDerWaalsContact C-N 3.26Å; A162-R164 HydrophobicContact CB-CG 3.89Å; A162-R164 PolarHBondContact O-N 3.49Å; A162-D308 HydrophobicContact CB-CB 4.36Å
163G95.1Very high94.5Very high22 Ų2244.6 Ų44.623%0.22725%0.252CS..THydrogen-bonded Turntrans71.116.8-17800000114.3L159 E160 N161 S375L159-G163 PolarHBondContact O-N 2.91Å; E160-G163 PolarHBondContact O-N 2.85Å; E160-G163 VanDerWaalsContact O-N 3.15Å; N161-G163 PolarHBondContact O-N 2.9Å; G163-S375 PolarHBondContact O-OG 2.83Å
164R97Very high94.2Very high42 Ų4244.5 Ų44.516%0.15825%0.254CS..  trans-95.6-38.9-174.1-56.3-61-179.1-153.310.3112.8L159 A162 V306 A307 D308 T309 E376L159-R164 HydrophobicContact CB-CB 4.49Å; L159-R164 HydrophobicContact CD2-CB 4.36Å; L159-R164 WeakPolarHBondContact O-CA 3.38Å; L159-R164 PolarHBondContact O-N 2.95Å; A162-R164 VanDerWaalsContact C-N 3.26Å; A162-R164 HydrophobicContact CB-CG 3.89Å; A162-R164 PolarHBondContact O-N 3.49Å; R164-V306 HydrophobicContact CB-CG1 4.13Å; R164-V306 WeakPolarHBondContact O-CG1 3.36Å; R164-A307 WeakPolarHBondContact CG-O 3.42Å; R164-D308 HydrophobicContact CG-CB 4.28Å; R164-D308 IonicContact CZ-OD1 2.68Å; R164-D308 IonicContact NE-OD1 3.4Å; R164-D308 PolarHBondContact NE-OD1 3.2Å; R164-D308 IonicContact NH2-OD1 3.45Å; R164-D308 PolarHBondContact NH2-OD1 2.86Å; R164-T309 PolarHBondContact NH2-OG1 3.11Å; R164-T309 VanDerWaalsContact NH2-OG1 3.1Å; R164-E376 IonicContact NH1-OE2 3.03Å; R164-E376 PolarHBondContact NH1-OE2 2.76Å; R164-E376 VanDerWaalsContact NH1-OE2 3.13Å
165L97.9Very high94.1Very high0 Ų042 Ų420%024%0.236CC..SBendtrans-104.1144.2177.2-179.159.4000111.1M156 L159 E160 W167 W168 L178 V306 L355M156-L165 HydrophobicContact CG-CD2 4.35Å; L159-L165 HydrophobicContact CB-CB 3.65Å; L159-L165 HydrophobicContact CB-CD2 4.34Å; L159-L165 PolarHBondContact O-N 3.38Å; E160-L165 HydrophobicContact CG-CB 4.07Å; E160-L165 HydrophobicContact CG-CD2 4.28Å; E160-L165 HydrophobicContact CG-CG 4.11Å; L165-W167 PolarHBondContact O-N 3.34Å; L165-W168 HydrophobicContact CD1-CH2 4.05Å; L165-L178 HydrophobicContact CD1-CB 4.37Å; L165-V306 HydrophobicContact CB-CG1 4.3Å; L165-L355 HydrophobicContact CD1-CD1 3.83Å; L165-L355 HydrophobicContact CD1-CD2 3.78Å; L165-L355 HydrophobicContact CD2-CD2 4.05Å
166N97.3Very high94Very high0 Ų042.8 Ų42.80%024%0.24CC..SBendtrans49.525.4172.8-59.9-27.7000115.6E160 W168 T169 K170 L178E160-N166 HydrophobicContact CG-CB 4.29Å; E160-N166 WeakPolarHBondContact OE1-CB 3.32Å; E160-N166 PolarHBondContact OE1-ND2 3.07Å; N166-W168 VanDerWaalsContact N-CZ3 3.34Å; N166-T169 PolarHBondContact O-OG1 3.48Å; N166-T169 VanDerWaalsContact O-OG1 3.12Å; N166-K170 WeakPolarHBondContact O-CE 3.23Å; N166-L178 PolarHBondContact ND2-O 3.39Å; N166-L178 PolarHBondContact OD1-N 2.87Å
167W96.4Very high93.9Very high30 Ų3044.5 Ų44.511%0.11425%0.25CC..  trans-72.3-33.7174.165.4-98.3000111.3L165 T169 K170 V171 P371 D374 I647L165-W167 PolarHBondContact O-N 3.34Å; W167-T169 PolarHBondContact O-N 2.79Å; W167-K170 PolarHBondContact O-N 3.49Å; W167-V171 HydrophobicContact CE3-CG2 4.26Å; W167-V171 HydrophobicContact CZ3-CG2 4.31Å; W167-P371 HydrophobicContact CH2-CB 4.49Å; W167-P371 HydrophobicContact CH2-CG 4.5Å; W167-P371 HydrophobicContact CZ2-CB 3.84Å; W167-P371 HydrophobicContact CZ2-CG 3.94Å; W167-D374 VanDerWaalsContact CZ2-C 3.49Å; W167-D374 WeakPolarHBondContact CZ2-O 3.36Å; W167-I647 HydrophobicContact CH2-CD1 3.71Å; W167-I647 HydrophobicContact CH2-CG1 4.08Å; W167-I647 HydrophobicContact CH2-CG2 4.08Å; W167-I647 HydrophobicContact CZ3-CD1 3.48Å; W167-I647 VanDerWaalsContact CZ3-CD1 3.48Å; W167-I647 HydrophobicContact CZ3-CG1 4.2Å
168W94.6Very high93.9Very high3 Ų341 Ų411%0.01123%0.228CC..G310 helixtrans-68.4-31.6-177.856.793.8000113.4L165 N166 K170 V171 V172 L178 I370 P371 I647L165-W168 HydrophobicContact CD1-CH2 4.05Å; N166-W168 VanDerWaalsContact N-CZ3 3.34Å; W168-K170 PolarHBondContact O-N 3.28Å; W168-V171 WeakPolarHBondContact O-CG2 3.37Å; W168-V171 PolarHBondContact O-N 3.42Å; W168-V171 VanDerWaalsContact O-N 3.16Å; W168-V172 PolarHBondContact O-N 3.32Å; W168-L178 HydrophobicContact CZ2-CD1 4.07Å; W168-L178 HydrophobicContact CZ2-CG 4.31Å; W168-I370 HydrophobicContact CH2-CD1 3.66Å; W168-I370 HydrophobicContact CZ2-CD1 3.99Å; W168-I370 HydrophobicContact CZ3-CD1 4.36Å; W168-P371 HydrophobicContact CB-CG 3.76Å; W168-P371 VanDerWaalsContact CD2-CD 3.44Å; W168-P371 HydrophobicContact CD2-CG 3.54Å; W168-P371 HydrophobicContact CE3-CG 3.55Å; W168-P371 HydrophobicContact CG-CG 3.65Å; W168-P371 HydrophobicContact CZ3-CG 4.28Å; W168-I647 HydrophobicContact CB-CD1 4.25Å
169T93.8Very high94Very high29 Ų2940.3 Ų40.318%0.17822%0.22CC..G310 helixtrans-71.3-20.2-179.964.50000112.8N166 W167 V171 C175 Q176 N177N166-T169 PolarHBondContact O-OG1 3.48Å; N166-T169 VanDerWaalsContact O-OG1 3.12Å; W167-T169 PolarHBondContact O-N 2.79Å; T169-V171 VanDerWaalsContact C-N 3.32Å; T169-C175 HydrophobicContact CG2-CB 4.03Å; T169-C175 WeakPolarHBondContact CG2-O 3.44Å; T169-Q176 WeakPolarHBondContact CG2-O 3.45Å; T169-N177 VanDerWaalsContact CB-OD1 3.3Å; T169-N177 WeakPolarHBondContact CB-OD1 3.33Å; T169-N177 WeakPolarHBondContact CG2-OD1 3.32Å; T169-N177 PolarHBondContact OG1-OD1 3.11Å
170K92.3Very high94Very high139 Ų13940.2 Ų40.260%0.60422%0.22SC*.G310 helixtrans-79.1-16.3174.5-57.8169.3-172.2171.30112.5N166 W167 W168N166-K170 WeakPolarHBondContact O-CE 3.23Å; W167-K170 PolarHBondContact O-N 3.49Å; W168-K170 PolarHBondContact O-N 3.28Å
171V91.1Very high93.9Very high63 Ų6338.3 Ų38.338%0.38221%0.211SC..THydrogen-bonded Turntrans-124.8-21.5-174.2-62.30000114.5W167 W168 T169 L429 P430 I647W167-V171 HydrophobicContact CE3-CG2 4.26Å; W167-V171 HydrophobicContact CZ3-CG2 4.31Å; W168-V171 WeakPolarHBondContact O-CG2 3.37Å; W168-V171 PolarHBondContact O-N 3.42Å; W168-V171 VanDerWaalsContact O-N 3.16Å; T169-V171 VanDerWaalsContact C-N 3.32Å; V171-L429 HydrophobicContact CB-CD2 3.65Å; V171-L429 HydrophobicContact CG2-CD2 3.63Å; V171-P430 WeakPolarHBondContact O-CD 3.31Å; V171-P430 WeakPolarHBondContact O-CG 3.48Å; V171-I647 HydrophobicContact CG2-CD1 4.01Å
172V90.1Very high93.8Very high8 Ų832.3 Ų32.35%0.04818%0.181CC..SBendtrans-112.5120.5172178.80000109.2W168 C175 L427 L429 I647W168-V172 PolarHBondContact O-N 3.32Å; V172-C175 VanDerWaalsContact CG1-SG 3.51Å; V172-L427 HydrophobicContact CG1-CB 4.19Å; V172-L427 HydrophobicContact CG2-CB 4.12Å; V172-L429 HydrophobicContact CG2-CD2 3.98Å; V172-I647 HydrophobicContact CG2-CD1 3.75Å
173P87.5Confident93.6Very high78 Ų7830.6 Ų30.651%0.50617%0.166SC..SBendtrans-71.6149177.631-35.3000111.1
174N87.2Confident93Very high81 Ų8129.7 Ų29.743%0.43316%0.156SC..SBendtrans61.549.5-175.6-25.3-96.5000112.4K365 D366 Q367N174-K365 HydrophobicContact CB-CB 4.24Å; N174-D366 WeakPolarHBondContact CA-OD1 3.49Å; N174-D366 WeakPolarHBondContact CB-OD1 3.48Å; N174-D366 CarbonylContact O-C 3.56Å; N174-D366 VanDerWaalsContact O-CA 3.27Å; N174-D366 WeakPolarHBondContact O-CA 3.44Å; N174-Q367 PolarHBondContact O-N 3.47Å
175C91.3Very high92.2Very high15 Ų1530.8 Ų30.810%0.10118%0.181CC..BIsolated β-bridgetrans-126.4130.5167.9-76.40000109.1T169 V172 V369T169-C175 HydrophobicContact CG2-CB 4.03Å; T169-C175 WeakPolarHBondContact CG2-O 3.44Å; V172-C175 VanDerWaalsContact CG1-SG 3.51Å; C175-V369 HydrophobicContact CB-CG2 4.35Å
176Q92.3Very high91.7Very high20 Ų2031.8 Ų31.89%0.09319%0.186CC..PPolyproline II helixtrans-79.7144.8-178.6-58-171.91100112.1T169 M358 Q360 D366 Q367 V368T169-Q176 WeakPolarHBondContact CG2-O 3.45Å; Q176-M358 PolarHBondContact OE1-O 3.5Å; Q176-Q360 VanDerWaalsContact NE2-CD 3.26Å; Q176-D366 HydrophobicContact CG-CB 3.56Å; Q176-D366 PolarHBondContact NE2-O 2.81Å; Q176-Q367 PolarHBondContact N-O 2.84Å; Q176-V368 HydrophobicContact CG-CG2 4.34Å
177N94.4Very high91.2Very high73 Ų7332.1 Ų32.139%0.3919%0.189SC..PPolyproline II helixtrans-67.2143.5166.5-76.42.1000110T169T169-N177 VanDerWaalsContact CB-OD1 3.3Å; T169-N177 WeakPolarHBondContact CB-OD1 3.33Å; T169-N177 WeakPolarHBondContact CG2-OD1 3.32Å; T169-N177 PolarHBondContact OG1-OD1 3.11Å
178L96.8Very high91.1Very high1 Ų130.7 Ų30.71%0.00518%0.184CC..PPolyproline II helixtrans-100136.2168.2-57.4-179.8000109.8L165 N166 W168 V344 L355 V356 V368 I370 L652L165-L178 HydrophobicContact CD1-CB 4.37Å; N166-L178 PolarHBondContact ND2-O 3.39Å; N166-L178 PolarHBondContact OD1-N 2.87Å; W168-L178 HydrophobicContact CZ2-CD1 4.07Å; W168-L178 HydrophobicContact CZ2-CG 4.31Å; L178-V344 HydrophobicContact CD1-CG1 4.36Å; L178-L355 HydrophobicContact CB-CB 4.15Å; L178-L355 HydrophobicContact CB-CD2 4.13Å; L178-L355 HydrophobicContact CD1-CB 4.34Å; L178-V356 WeakPolarHBondContact CA-O 3.23Å; L178-V368 HydrophobicContact CD2-CG1 4.13Å; L178-I370 HydrophobicContact CD1-CD1 4.11Å; L178-L652 HydrophobicContact CD1-CD1 4.15Å; L178-L652 HydrophobicContact CD2-CD1 4.27Å
179L96.8Very high91.2Very high19 Ų1931 Ų3110%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-111131.9-177.3-58.4176.4000110L132 I151 M156 V356 M358L132-L179 HydrophobicContact CD1-CB 4.45Å; L132-L179 HydrophobicContact CD1-CD1 3.97Å; I151-L179 HydrophobicContact CD1-CB 4.02Å; I151-L179 HydrophobicContact CD1-CD1 4.16Å; M156-L179 HydrophobicContact SD-CD2 3.8Å; L179-V356 PolarHBondContact N-O 3.33Å; L179-V356 PolarHBondContact O-N 2.97Å; L179-M358 HydrophobicContact CD1-CE 4.11Å; L179-M358 HydrophobicContact CD1-CG 3.95Å; L179-M358 HydrophobicContact CD1-SD 3.94Å
180P97.2Very high91.4Very high0 Ų029.7 Ų29.70%018%0.179CC..EExtended strand (participates in β ladder)trans-78.9120.5176.129.7-31.7000110.6I151 E152 M155 M156 A354 L355I151-P180 CarbonylContact C-O 3.49Å; I151-P180 WeakPolarHBondContact CA-O 3.41Å; I151-P180 HydrophobicContact CG2-CG 4.36Å; I151-P180 WeakPolarHBondContact CG2-O 3.48Å; E152-P180 PolarHBondContact N-O 3.26Å; M155-P180 HydrophobicContact SD-CB 4.22Å; M156-P180 HydrophobicContact CB-CG 3.63Å; M156-P180 HydrophobicContact CG-CG 4.16Å; P180-A354 CarbonylContact C-O 3.57Å; P180-A354 WeakPolarHBondContact CA-O 3.49Å; P180-L355 HydrophobicContact CB-CD2 4.03Å
181L95.3Very high91.6Very high8 Ų823.1 Ų23.14%0.04215%0.15CC..BIsolated β-bridgetrans-72.8138172.3-62.8-176.7000111.3F130 L132 L150 I151 T183 L196 S353 A354 V356F130-L181 HydrophobicContact CD1-CD1 4.27Å; F130-L181 HydrophobicContact CE1-CD1 4.32Å; L132-L181 HydrophobicContact CD1-CD2 3.86Å; L132-L181 HydrophobicContact CD2-CD2 3.95Å; L132-L181 HydrophobicContact CG-CD2 4.05Å; L150-L181 WeakPolarHBondContact O-CA 3.32Å; I151-L181 HydrophobicContact CD1-CD2 4.28Å; L181-T183 WeakPolarHBondContact O-CG2 3.45Å; L181-L196 HydrophobicContact CD1-CB 4.29Å; L181-S353 WeakPolarHBondContact O-CB 3.4Å; L181-S353 PolarHBondContact O-OG 3.41Å; L181-A354 HydrophobicContact CB-CB 4.3Å; L181-A354 HydrophobicContact CD1-CB 4.21Å; L181-A354 HydrophobicContact CG-CB 4.39Å; L181-A354 PolarHBondContact N-O 3.19Å; L181-V356 HydrophobicContact CD1-CG1 4Å; L181-V356 HydrophobicContact CD1-CG2 4.06Å; L181-V356 HydrophobicContact CD2-CG2 3.77Å; L181-V356 HydrophobicContact CG-CG1 4.31Å; L181-V356 HydrophobicContact CG-CG2 3.74Å
182A92.4Very high91.8Very high10 Ų1020.2 Ų20.28%0.08313%0.132CC..PPolyproline II helixtrans-63.3134.8171.200000111L150L150-A182 PolarHBondContact O-N 3.2Å
183T88.4Confident92.2Very high1 Ų119.9 Ų19.91%0.00613%0.13CC..  trans-132.2166.9178.591.80000111L92 L181 A193 L196 H351 F352L92-T183 WeakPolarHBondContact CD2-O 3.24Å; L181-T183 WeakPolarHBondContact O-CG2 3.45Å; T183-A193 HydrophobicContact CG2-CB 4.1Å; T183-L196 HydrophobicContact CG2-CD1 3.63Å; T183-H351 PolarHBondContact O-CE1 3.19Å; T183-H351 PolarHBondContact O-NE2 3.09Å; T183-H351 PolarHBondContact OG1-CE1 3.34Å; T183-H351 PolarHBondContact OG1-NE2 2.97Å; T183-F352 VanDerWaalsContact CG2-O 3.31Å; T183-F352 WeakPolarHBondContact CG2-O 3.28Å; T183-F352 PolarHBondContact OG1-O 3.11Å
184S82.5Confident92.6Very high3 Ų316.1 Ų16.12%0.02111%0.106CC..  trans-77.2139.8-176.945.80000113.8D186 C189 H192S184-D186 WeakPolarHBondContact CB-OD2 3.21Å; S184-D186 PolarHBondContact O-N 2.64Å; S184-D186 PolarHBondContact OG-OD2 3.39Å; S184-C189 WeakPolarHBondContact O-CB 3.38Å; S184-H192 PolarHBondContact OG-CD2 3.03Å; S184-H192 PolarHBondContact OG-NE2 3.09Å
185G81.2Confident93Very high66 Ų6612.3 Ų12.368%0.689%0.085SC*.  trans-82.712.6-179.800000114.7G187G185-G187 PolarHBondContact O-N 2.86Å
186D86.2Confident93Very high20 Ų2011.9 Ų11.911%0.1078%0.082CC..SBendtrans-68.17.2-177.253.833.8000115S184 N188 H192 Y284S184-D186 WeakPolarHBondContact CB-OD2 3.21Å; S184-D186 PolarHBondContact O-N 2.64Å; S184-D186 PolarHBondContact OG-OD2 3.39Å; D186-N188 VanDerWaalsContact C-N 3.31Å; D186-N188 PolarHBondContact O-N 2.94Å; D186-N188 WeakPolarHBondContact OD1-CA 3.42Å; D186-N188 VanDerWaalsContact OD1-CB 3.26Å; D186-N188 WeakPolarHBondContact OD1-CB 3.5Å; D186-N188 PolarHBondContact OD1-N 2.84Å; D186-H192 IonicContact OD1-CD2 3.65Å; D186-H192 PolarHBondContact OD1-CD2 3.18Å; D186-H192 IonicContact OD1-NE2 2.76Å; D186-H192 IonicContact OD2-CD2 2.71Å; D186-H192 PolarHBondContact OD2-CD2 2.89Å; D186-H192 IonicContact OD2-NE2 3.26Å; D186-H192 PolarHBondContact OD2-NE2 3.31Å; D186-H192 VanDerWaalsContact OD2-NE2 3.12Å; D186-Y284 PolarHBondContact O-N 3.1Å
187G88.4Confident93.1Very high7 Ų711 Ų117%0.0728%0.078CC..SBendtrans88.9-20.8-173.900000114.4G185 C189G185-G187 PolarHBondContact O-N 2.86Å; G187-C189 VanDerWaalsContact C-N 3.32Å; G187-C189 PolarHBondContact O-N 3.3Å
188N94.4Very high93Very high0 Ų07.5 Ų7.50%06%0.06CC..  trans-90.810.5-179.6-169.946.6000113.4D186 L190 L191 H192 D203 R209 Y284D186-N188 VanDerWaalsContact C-N 3.31Å; D186-N188 PolarHBondContact O-N 2.94Å; D186-N188 WeakPolarHBondContact OD1-CA 3.42Å; D186-N188 VanDerWaalsContact OD1-CB 3.26Å; D186-N188 WeakPolarHBondContact OD1-CB 3.5Å; D186-N188 PolarHBondContact OD1-N 2.84Å; N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 PolarHBondContact O-N 3.02Å; N188-L190 VanDerWaalsContact O-N 3.08Å; N188-L191 PolarHBondContact O-N 3.41Å; N188-L191 WeakPolarHBondContact OD1-CB 3.2Å; N188-L191 WeakPolarHBondContact OD1-CD1 3.46Å; N188-H192 PolarHBondContact ND2-CE1 3.47Å; N188-H192 PolarHBondContact ND2-NE2 3.45Å; N188-H192 PolarHBondContact O-CD2 3.49Å; N188-H192 PolarHBondContact O-N 3.48Å; N188-D203 PolarHBondContact ND2-O 3.02Å; N188-R209 WeakPolarHBondContact OD1-CD 3.4Å; N188-Y284 HydrophobicContact CB-CD2 3.87Å
189C95.8Very high92.7Very high10 Ų108 Ų87%0.0686%0.061CC..Hα-helixtrans-47.9-38.1-176.362.10000115.2S184 G187 L191 H192 A193 F352S184-C189 WeakPolarHBondContact O-CB 3.38Å; G187-C189 VanDerWaalsContact C-N 3.32Å; G187-C189 PolarHBondContact O-N 3.3Å; C189-L191 VanDerWaalsContact C-N 3.3Å; C189-L191 PolarHBondContact O-N 2.99Å; C189-H192 PolarHBondContact O-N 2.68Å; C189-A193 WeakPolarHBondContact O-CB 3.29Å; C189-A193 PolarHBondContact O-N 2.82Å; C189-F352 HydrophobicContact CB-CB 4.39Å
190L97.8Very high92.3Very high2 Ų27.1 Ų7.11%0.016%0.057CC..Hα-helixtrans-57-43.4176.317459.3000112.2N188 A194 L287 H291 V292 L295 L345 F352N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 PolarHBondContact O-N 3.02Å; N188-L190 VanDerWaalsContact O-N 3.08Å; L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.47Å; L190-L287 HydrophobicContact CB-CD1 4.44Å; L190-L287 HydrophobicContact CD2-CB 3.97Å; L190-L287 HydrophobicContact CD2-CD1 3.97Å; L190-H291 HydrophobicContact CD2-CB 4.45Å; L190-V292 HydrophobicContact CD1-CG2 4Å; L190-V292 HydrophobicContact CD2-CG2 3.82Å; L190-L295 HydrophobicContact CD1-CD2 4.22Å; L190-L295 HydrophobicContact CG-CD2 4.13Å; L190-L345 HydrophobicContact CD1-CD1 3.73Å; L190-F352 HydrophobicContact CB-CD2 3.72Å; L190-F352 HydrophobicContact CB-CE2 4Å; L190-F352 HydrophobicContact CB-CG 4.18Å; L190-F352 HydrophobicContact CD1-CD1 3.94Å; L190-F352 HydrophobicContact CD1-CD2 4.17Å; L190-F352 HydrophobicContact CD1-CE1 3.86Å; L190-F352 HydrophobicContact CD1-CE2 4.1Å; L190-F352 HydrophobicContact CD1-CG 4.08Å; L190-F352 HydrophobicContact CD1-CZ 3.93Å; L190-F352 HydrophobicContact CG-CD2 4.48Å; L190-F352 HydrophobicContact CG-CE2 4.43Å
191L97.2Very high91.9Very high0 Ų07.1 Ų7.10%06%0.057CC..Hα-helixtrans-87.1-29.5-174.4-53.6-175.9000111.2N188 C189 S195 D203 L208 R209 L212 L287 L295N188-L191 PolarHBondContact O-N 3.41Å; N188-L191 WeakPolarHBondContact OD1-CB 3.2Å; N188-L191 WeakPolarHBondContact OD1-CD1 3.46Å; C189-L191 VanDerWaalsContact C-N 3.3Å; C189-L191 PolarHBondContact O-N 2.99Å; L191-S195 WeakPolarHBondContact O-CB 3.22Å; L191-S195 PolarHBondContact O-N 3.5Å; L191-D203 HydrophobicContact CB-CB 4.45Å; L191-L208 HydrophobicContact CB-CB 4.17Å; L191-L208 HydrophobicContact CB-CD1 4.42Å; L191-L208 HydrophobicContact CD1-CB 4.31Å; L191-L208 HydrophobicContact CD2-CB 4.25Å; L191-L208 HydrophobicContact CG-CB 4.49Å; L191-R209 HydrophobicContact CD1-CB 3.48Å; L191-R209 VanDerWaalsContact CD1-CB 3.48Å; L191-R209 HydrophobicContact CD1-CG 3.69Å; L191-L212 HydrophobicContact CD1-CD1 4.34Å; L191-L212 HydrophobicContact CD2-CD1 3.87Å; L191-L287 HydrophobicContact CD1-CD1 3.95Å; L191-L287 HydrophobicContact CD2-CD1 4.45Å; L191-L287 HydrophobicContact CG-CD1 4.03Å; L191-L295 HydrophobicContact CD2-CD1 3.73Å; L191-L295 HydrophobicContact CD2-CD2 3.61Å; L191-L295 HydrophobicContact CD2-CG 4.23Å
192H95.4Very high91.8Very high3 Ų37.1 Ų7.11%0.0146%0.057CC..Hα-helixtrans-61-47163.7-66.7-41.7000111.9S184 D186 N188 C189 S195 L196 H202 D203S184-H192 PolarHBondContact OG-CD2 3.03Å; S184-H192 PolarHBondContact OG-NE2 3.09Å; D186-H192 IonicContact OD1-CD2 3.65Å; D186-H192 PolarHBondContact OD1-CD2 3.18Å; D186-H192 IonicContact OD1-NE2 2.76Å; D186-H192 IonicContact OD2-CD2 2.71Å; D186-H192 PolarHBondContact OD2-CD2 2.89Å; D186-H192 IonicContact OD2-NE2 3.26Å; D186-H192 PolarHBondContact OD2-NE2 3.31Å; D186-H192 VanDerWaalsContact OD2-NE2 3.12Å; N188-H192 PolarHBondContact ND2-CE1 3.47Å; N188-H192 PolarHBondContact ND2-NE2 3.45Å; N188-H192 PolarHBondContact O-CD2 3.49Å; N188-H192 PolarHBondContact O-N 3.48Å; C189-H192 PolarHBondContact O-N 2.68Å; H192-S195 PolarHBondContact O-N 3.06Å; H192-L196 VanDerWaalsContact O-CB 3.31Å; H192-L196 WeakPolarHBondContact O-CB 3.17Å; H192-L196 WeakPolarHBondContact O-CD1 3.47Å; H192-L196 WeakPolarHBondContact O-CG 3.36Å; H192-L196 PolarHBondContact O-N 3.48Å; H192-H202 HydrophobicContact CB-CB 4.4Å; H192-H202 AromaticContact CG-CD2 3.74Å; H192-D203 PolarHBondContact CE1-O 2.91Å; H192-D203 VanDerWaalsContact CE1-O 3.23Å; H192-D203 PolarHBondContact ND1-N 3.22Å
193A97.1Very high91.7Very high0 Ų06.7 Ų6.70%05%0.053CC..Hα-helixtrans-61.4-46.2175.700000112.3T183 C189 S195 L196 G197 L345 F352 A354T183-A193 HydrophobicContact CG2-CB 4.1Å; C189-A193 WeakPolarHBondContact O-CB 3.29Å; C189-A193 PolarHBondContact O-N 2.82Å; A193-S195 PolarHBondContact O-N 3.2Å; A193-L196 PolarHBondContact O-N 3.42Å; A193-G197 PolarHBondContact O-N 2.86Å; A193-L345 HydrophobicContact CB-CD2 3.94Å; A193-F352 HydrophobicContact CB-CB 4.1Å; A193-A354 WeakPolarHBondContact O-CB 2.94Å
194A96.8Very high91.8Very high0 Ų011.1 Ų11.10%07%0.07CC..Hα-helixtrans-63.1-43.1176.800000112.8L190 G197 M198 L208 L295 L299 L343L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.47Å; A194-G197 PolarHBondContact O-N 3.02Å; A194-M198 HydrophobicContact CB-CE 4.4Å; A194-M198 WeakPolarHBondContact O-CE 3.41Å; A194-M198 PolarHBondContact O-N 3.14Å; A194-L208 HydrophobicContact CB-CD1 4.07Å; A194-L295 HydrophobicContact CB-CD2 3.85Å; A194-L299 HydrophobicContact CB-CD1 4.5Å; A194-L343 HydrophobicContact CB-CD2 3.71Å
195S94.6Very high92Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-66.1-38.5177.7-164.20000112.1L191 H192 A193 W199 F201L191-S195 WeakPolarHBondContact O-CB 3.22Å; L191-S195 PolarHBondContact O-N 3.5Å; H192-S195 PolarHBondContact O-N 3.06Å; A193-S195 PolarHBondContact O-N 3.2Å; S195-W199 PolarHBondContact O-N 3.15Å; S195-F201 CarbonylContact C-O 3.56Å; S195-F201 WeakPolarHBondContact CB-O 3.12Å; S195-F201 PolarHBondContact OG-O 3.01Å
196L92.8Very high92.6Very high7 Ų712.2 Ų12.24%0.0376%0.06CC..Hα-helixtrans-63.8-48.5173.2-77.7163.6000111.7L181 T183 H192 A193 M198 G200 F201 A354L181-L196 HydrophobicContact CD1-CB 4.29Å; T183-L196 HydrophobicContact CG2-CD1 3.63Å; H192-L196 VanDerWaalsContact O-CB 3.31Å; H192-L196 WeakPolarHBondContact O-CB 3.17Å; H192-L196 WeakPolarHBondContact O-CD1 3.47Å; H192-L196 WeakPolarHBondContact O-CG 3.36Å; H192-L196 PolarHBondContact O-N 3.48Å; A193-L196 PolarHBondContact O-N 3.42Å; L196-M198 PolarHBondContact O-N 3.48Å; L196-G200 VanDerWaalsContact O-CA 3.32Å; L196-G200 WeakPolarHBondContact O-CA 3.42Å; L196-G200 PolarHBondContact O-N 3.34Å; L196-F201 PolarHBondContact N-O 3.22Å; L196-F201 VanDerWaalsContact N-O 3.08Å; L196-A354 HydrophobicContact CB-CB 4.16Å
197G93.7Very high92.8Very high1 Ų112.3 Ų12.31%0.016%0.06CC..Hα-helixtrans-65.5-18.9-178.400000114.7T129 F130 A193 A194T129-G197 WeakPolarHBondContact CA-O 3.45Å; T129-G197 WeakPolarHBondContact CG2-O 3.22Å; F130-G197 PolarHBondContact N-O 2.93Å; A193-G197 PolarHBondContact O-N 2.86Å; A194-G197 PolarHBondContact O-N 3.02Å
198M92.4Very high93.2Very high0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-99.9-54.5175.2-70.4-176-71.400113T125 P126 A194 L196 L208 L299 L343 Q661T125-M198 HydrophobicContact CG2-SD 4.26Å; P126-M198 HydrophobicContact CG-CB 3.77Å; P126-M198 HydrophobicContact CG-CG 4.39Å; A194-M198 HydrophobicContact CB-CE 4.4Å; A194-M198 WeakPolarHBondContact O-CE 3.41Å; A194-M198 PolarHBondContact O-N 3.14Å; L196-M198 PolarHBondContact O-N 3.48Å; M198-L208 HydrophobicContact CE-CD1 4.29Å; M198-L299 HydrophobicContact CE-CD1 3.72Å; M198-L299 HydrophobicContact CE-CD2 3.47Å; M198-L299 VanDerWaalsContact CE-CD2 3.47Å; M198-L299 HydrophobicContact CE-CG 4.24Å; M198-L299 HydrophobicContact SD-CD1 3.99Å; M198-L299 HydrophobicContact SD-CD2 3.9Å; M198-L299 HydrophobicContact SD-CG 4.44Å; M198-L343 HydrophobicContact CG-CD1 4.48Å; M198-Q661 PolarHBondContact O-NE2 3.46Å
199W90.1Very high93.2Very high10 Ų1012.1 Ų12.14%0.0386%0.057CC..Hα-helixtrans-108.3-13.4-169-59.5-71.6000114.2V111 T125 P126 S195 F201 L208 Q661 M664V111-W199 HydrophobicContact CG1-CH2 4.18Å; V111-W199 HydrophobicContact CG1-CZ2 3.62Å; V111-W199 HydrophobicContact CG2-CD2 4.44Å; V111-W199 HydrophobicContact CG2-CG 4.46Å; V111-W199 HydrophobicContact CG2-CZ2 4.33Å; T125-W199 HydrophobicContact CG2-CZ2 4.33Å; P126-W199 VanDerWaalsContact CD-NE1 3.33Å; S195-W199 PolarHBondContact O-N 3.15Å; W199-F201 HydrophobicContact CB-CD1 3.94Å; W199-F201 HydrophobicContact CB-CD2 4.45Å; W199-F201 HydrophobicContact CB-CE1 3.52Å; W199-F201 HydrophobicContact CB-CE2 4.09Å; W199-F201 HydrophobicContact CB-CG 4.39Å; W199-F201 HydrophobicContact CB-CZ 3.61Å; W199-F201 HydrophobicContact CD2-CZ 4.29Å; W199-F201 HydrophobicContact CE3-CE2 4.28Å; W199-F201 HydrophobicContact CG-CE1 4.23Å; W199-F201 HydrophobicContact CG-CE2 4.47Å; W199-F201 AromaticContact CG-CZ 3.93Å; W199-F201 HydrophobicContact CG-CZ 3.93Å; W199-L208 HydrophobicContact CH2-CD2 4.08Å; W199-L208 HydrophobicContact CZ3-CD1 4.24Å; W199-L208 HydrophobicContact CZ3-CD2 4.21Å; W199-L208 HydrophobicContact CZ3-CG 4.38Å; W199-Q661 PolarHBondContact O-NE2 3.2Å; W199-Q661 VanDerWaalsContact O-NE2 3.16Å; W199-M664 WeakPolarHBondContact O-CE 3.31Å
200G89.7Confident93.2Very high1 Ų116.7 Ų16.71%0.018%0.076CC..SBendtrans83.810.9-174.900000114.6L196L196-G200 VanDerWaalsContact O-CA 3.32Å; L196-G200 WeakPolarHBondContact O-CA 3.42Å; L196-G200 PolarHBondContact O-N 3.34Å
201F88.8Confident93.1Very high0 Ų018.3 Ų18.30%09%0.087CC..SBendtrans-134.5153.9175.257.7-111.6000114.4S97 V104 A107 R108 S195 L196 W199 M207 F660 M664S97-F201 VanDerWaalsContact OG-CA 3.28Å; S97-F201 WeakPolarHBondContact OG-CA 3.46Å; V104-F201 HydrophobicContact CG1-CB 4.18Å; V104-F201 HydrophobicContact CG1-CD1 4.44Å; V104-F201 HydrophobicContact CG1-CG 4.16Å; V104-F201 HydrophobicContact CG2-CB 4.15Å; A107-F201 HydrophobicContact CB-CD1 4.45Å; A107-F201 HydrophobicContact CB-CE1 3.67Å; A107-F201 HydrophobicContact CB-CZ 4.41Å; R108-F201 HydrophobicContact CG-CE2 3.89Å; R108-F201 HydrophobicContact CG-CZ 4.02Å; R108-F201 VanDerWaalsContact NH1-CD2 3.34Å; S195-F201 CarbonylContact C-O 3.56Å; S195-F201 WeakPolarHBondContact CB-O 3.12Å; S195-F201 PolarHBondContact OG-O 3.01Å; L196-F201 PolarHBondContact N-O 3.22Å; L196-F201 VanDerWaalsContact N-O 3.08Å; W199-F201 HydrophobicContact CB-CD1 3.94Å; W199-F201 HydrophobicContact CB-CD2 4.45Å; W199-F201 HydrophobicContact CB-CE1 3.52Å; W199-F201 HydrophobicContact CB-CE2 4.09Å; W199-F201 HydrophobicContact CB-CG 4.39Å; W199-F201 HydrophobicContact CB-CZ 3.61Å; W199-F201 HydrophobicContact CD2-CZ 4.29Å; W199-F201 HydrophobicContact CE3-CE2 4.28Å; W199-F201 HydrophobicContact CG-CE1 4.23Å; W199-F201 HydrophobicContact CG-CE2 4.47Å; W199-F201 AromaticContact CG-CZ 3.93Å; W199-F201 HydrophobicContact CG-CZ 3.93Å; F201-M207 HydrophobicContact CE2-CE 4.43Å; F201-F660 HydrophobicContact CD1-CE2 4.38Å; F201-F660 HydrophobicContact CE1-CE2 4.04Å; F201-M664 HydrophobicContact CB-SD 4.48Å; F201-M664 HydrophobicContact CD1-CE 4.17Å; F201-M664 HydrophobicContact CD1-SD 4.19Å
202H91.3Very high93.1Very high9 Ų918.3 Ų18.34%0.0429%0.087CC..  trans-66.8141.6174.1-72.571.1000112.2S97 R108 H192 R204S97-H202 PolarHBondContact OG-N 2.9Å; S97-H202 VanDerWaalsContact OG-N 3.12Å; S97-H202 PolarHBondContact OG-ND1 3.39Å; R108-H202 PolarHBondContact NH1-O 3.47Å; R108-H202 PolarHBondContact NH2-O 3.4Å; H192-H202 HydrophobicContact CB-CB 4.4Å; H192-H202 AromaticContact CG-CD2 3.74Å; H202-R204 HydrophobicContact CB-CG 4.09Å; H202-R204 PolarHBondContact O-N 2.88Å
203D91.9Very high93.2Very high0 Ų021.8 Ų21.80%010%0.101CC..  trans-68.759.7169.5-170.233.7000115.2N188 L191 H192 D205 L206 M207 L208 R209N188-D203 PolarHBondContact ND2-O 3.02Å; L191-D203 HydrophobicContact CB-CB 4.45Å; H192-D203 PolarHBondContact CE1-O 2.91Å; H192-D203 VanDerWaalsContact CE1-O 3.23Å; H192-D203 PolarHBondContact ND1-N 3.22Å; D203-D205 VanDerWaalsContact C-N 3.29Å; D203-D205 PolarHBondContact O-N 2.87Å; D203-L206 PolarHBondContact O-N 2.82Å; D203-L206 VanDerWaalsContact OD2-C 3.32Å; D203-L206 WeakPolarHBondContact OD2-CA 2.87Å; D203-M207 PolarHBondContact OD1-N 3.14Å; D203-M207 PolarHBondContact OD2-N 2.82Å; D203-L208 WeakPolarHBondContact OD2-CB 3.41Å; D203-L208 PolarHBondContact OD2-N 3.41Å; D203-R209 PolarHBondContact OD2-N 2.86Å
204R88.8Confident93.1Very high94 Ų9423.1 Ų23.136%0.35511%0.112SC..THydrogen-bonded Turntrans-69.6-21.9-179.1-73.8-177.6161-111-15.9114.3H202 L206 E281H202-R204 HydrophobicContact CB-CG 4.09Å; H202-R204 PolarHBondContact O-N 2.88Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-E281 IonicContact CZ-OE1 3.42Å; R204-E281 IonicContact NH1-OE1 3.25Å; R204-E281 PolarHBondContact NH1-OE1 3.18Å; R204-E281 IonicContact NH2-OE1 3.84Å; R204-E281 PolarHBondContact NH2-OE1 3.45Å; R204-E281 IonicContact NH2-OE2 2.68Å; R204-E281 PolarHBondContact NH2-OE2 3.08Å; R204-E281 VanDerWaalsContact NH2-OE2 3.12Å
205D88.2Confident93.1Very high78 Ų7824.5 Ų24.542%0.41712%0.119SC..THydrogen-bonded Turntrans-88.52.1178.8-64.531.8000111.7R108 D203 M207 K210R108-D205 WeakPolarHBondContact CD-OD1 3.42Å; R108-D205 WeakPolarHBondContact CD-OD2 3.39Å; R108-D205 IonicContact CZ-OD1 3.59Å; R108-D205 IonicContact NE-OD1 3.58Å; R108-D205 PolarHBondContact NE-OD1 3.37Å; R108-D205 IonicContact NE-OD2 2.78Å; D203-D205 VanDerWaalsContact C-N 3.29Å; D203-D205 PolarHBondContact O-N 2.87Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 HydrophobicContact CB-CG 3.92Å; D205-M207 PolarHBondContact O-N 3.34Å; D205-K210 PolarHBondContact O-NZ 3.47Å
206L92.2Very high93.2Very high14 Ų1424.5 Ų24.57%0.07312%0.119CC..  trans56.932.2-177.5-51.6-178000113.8D203 R204 R209 K210 Y284D203-L206 PolarHBondContact O-N 2.82Å; D203-L206 VanDerWaalsContact OD2-C 3.32Å; D203-L206 WeakPolarHBondContact OD2-CA 2.87Å; R204-L206 VanDerWaalsContact C-N 3.26Å; L206-R209 HydrophobicContact CB-CB 4.14Å; L206-R209 PolarHBondContact O-N 3.34Å; L206-K210 HydrophobicContact CB-CD 4.42Å; L206-K210 WeakPolarHBondContact O-CB 3.5Å; L206-K210 VanDerWaalsContact O-CD 3.26Å; L206-K210 WeakPolarHBondContact O-CD 3.34Å; L206-K210 WeakPolarHBondContact O-CG 3.38Å; L206-K210 PolarHBondContact O-N 2.76Å; L206-Y284 HydrophobicContact CD1-CE1 3.86Å; L206-Y284 HydrophobicContact CD2-CD2 4.49Å; L206-Y284 HydrophobicContact CD2-CE1 4.48Å; L206-Y284 HydrophobicContact CD2-CE2 3.86Å
207M91.9Very high93.4Very high23 Ų2326.7 Ų26.711%0.11313%0.131CC..Hα-helixtrans-64.3-49.8-177.1-55.6-175.9-5400110.2R108 V111 S112 F201 D203 D205 R209 K210 S211R108-M207 HydrophobicContact CB-CE 4.33Å; R108-M207 HydrophobicContact CB-SD 4.16Å; R108-M207 HydrophobicContact CG-CE 4.07Å; R108-M207 HydrophobicContact CG-SD 4.38Å; V111-M207 HydrophobicContact CG1-CE 4.37Å; S112-M207 PolarHBondContact OG-SD 3.09Å; F201-M207 HydrophobicContact CE2-CE 4.43Å; D203-M207 PolarHBondContact OD1-N 3.14Å; D203-M207 PolarHBondContact OD2-N 2.82Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 HydrophobicContact CB-CG 3.92Å; D205-M207 PolarHBondContact O-N 3.34Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 2.84Å; M207-K210 PolarHBondContact O-N 3.16Å; M207-S211 PolarHBondContact O-N 2.82Å; M207-S211 PolarHBondContact O-OG 3.41Å
208L95.3Very high93.4Very high1 Ų132.9 Ų32.91%0.00516%0.159CC..Hα-helixtrans-66-37.7176.9-64-178.1000110.8L123 L191 A194 M198 W199 D203 S211 L212 L299L123-L208 HydrophobicContact CD1-CD2 3.89Å; L191-L208 HydrophobicContact CB-CB 4.17Å; L191-L208 HydrophobicContact CB-CD1 4.42Å; L191-L208 HydrophobicContact CD1-CB 4.31Å; L191-L208 HydrophobicContact CD2-CB 4.25Å; L191-L208 HydrophobicContact CG-CB 4.49Å; A194-L208 HydrophobicContact CB-CD1 4.07Å; M198-L208 HydrophobicContact CE-CD1 4.29Å; W199-L208 HydrophobicContact CH2-CD2 4.08Å; W199-L208 HydrophobicContact CZ3-CD1 4.24Å; W199-L208 HydrophobicContact CZ3-CD2 4.21Å; W199-L208 HydrophobicContact CZ3-CG 4.38Å; D203-L208 WeakPolarHBondContact OD2-CB 3.41Å; D203-L208 PolarHBondContact OD2-N 3.41Å; L208-S211 PolarHBondContact O-N 3.3Å; L208-L212 WeakPolarHBondContact O-CB 3.09Å; L208-L212 PolarHBondContact O-N 2.88Å; L208-L299 HydrophobicContact CD2-CD2 3.73Å
209R96.3Very high93.4Very high1 Ų133.8 Ų33.80%0.00417%0.169CC..Hα-helixtrans-65.7-42.1-178.7-156.1166.9-174.3-113-17.3111.8N188 L191 D203 L206 M207 L212 Y213 L259 S261N188-R209 WeakPolarHBondContact OD1-CD 3.4Å; L191-R209 HydrophobicContact CD1-CB 3.48Å; L191-R209 VanDerWaalsContact CD1-CB 3.48Å; L191-R209 HydrophobicContact CD1-CG 3.69Å; D203-R209 PolarHBondContact OD2-N 2.86Å; L206-R209 HydrophobicContact CB-CB 4.14Å; L206-R209 PolarHBondContact O-N 3.34Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 2.84Å; R209-L212 PolarHBondContact O-N 3.02Å; R209-Y213 WeakPolarHBondContact O-CB 3.4Å; R209-Y213 PolarHBondContact O-N 3.1Å; R209-L259 PolarHBondContact NH2-O 3.36Å; R209-S261 PolarHBondContact NH1-O 3.35Å; R209-S261 PolarHBondContact NH2-O 3.26Å
210K95.3Very high93.6Very high107 Ų10740.8 Ų40.847%0.46521%0.206SC..Hα-helixtrans-64.6-45.2174.4-69.7160.1-172.5158.50111.7D205 L206 M207 Y213 A214D205-K210 PolarHBondContact O-NZ 3.47Å; L206-K210 HydrophobicContact CB-CD 4.42Å; L206-K210 WeakPolarHBondContact O-CB 3.5Å; L206-K210 VanDerWaalsContact O-CD 3.26Å; L206-K210 WeakPolarHBondContact O-CD 3.34Å; L206-K210 WeakPolarHBondContact O-CG 3.38Å; L206-K210 PolarHBondContact O-N 2.76Å; M207-K210 PolarHBondContact O-N 3.16Å; K210-Y213 PolarHBondContact O-N 2.91Å; K210-A214 VanDerWaalsContact O-CB 3.29Å; K210-A214 WeakPolarHBondContact O-CB 3.32Å; K210-A214 PolarHBondContact O-N 3.28Å
211S95.7Very high93.8Very high35 Ų3542.8 Ų42.825%0.24522%0.215CC..Hα-helixtrans-65.1-37.3177-64.40000113.1M207 L208 L215M207-S211 PolarHBondContact O-N 2.82Å; M207-S211 PolarHBondContact O-OG 3.41Å; L208-S211 PolarHBondContact O-N 3.3Å; S211-L215 WeakPolarHBondContact O-CB 3.35Å; S211-L215 PolarHBondContact O-N 3.12Å
212L96.9Very high94.1Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-65.7-48.3176.3-168.8162.3000111.1L191 L208 R209 L215 M216 A260 L287 H291 V294 L295 V298L191-L212 HydrophobicContact CD1-CD1 4.34Å; L191-L212 HydrophobicContact CD2-CD1 3.87Å; L208-L212 WeakPolarHBondContact O-CB 3.09Å; L208-L212 PolarHBondContact O-N 2.88Å; R209-L212 PolarHBondContact O-N 3.02Å; L212-L215 PolarHBondContact O-N 2.81Å; L212-M216 HydrophobicContact CD2-SD 3.56Å; L212-M216 VanDerWaalsContact CD2-SD 3.56Å; L212-M216 PolarHBondContact O-N 3.05Å; L212-A260 HydrophobicContact CD2-CB 3.84Å; L212-L287 HydrophobicContact CD1-CD1 4.48Å; L212-H291 HydrophobicContact CD1-CB 4.26Å; L212-H291 HydrophobicContact CD2-CB 4.25Å; L212-V294 HydrophobicContact CD2-CG1 4.1Å; L212-V294 HydrophobicContact CG-CB 4.37Å; L212-V294 HydrophobicContact CG-CG1 3.85Å; L212-L295 HydrophobicContact CD1-CB 4.07Å; L212-L295 HydrophobicContact CD1-CD1 4.4Å; L212-V298 HydrophobicContact CB-CG2 4.39Å
213Y97.1Very high94.4Very high77 Ų7749.2 Ų49.230%0.30224%0.243SC..Hα-helixtrans-58.4-48.5173.5177.9-93.1000111.9R209 K210 L215 M216 D217 L257 A260R209-Y213 WeakPolarHBondContact O-CB 3.4Å; R209-Y213 PolarHBondContact O-N 3.1Å; K210-Y213 PolarHBondContact O-N 2.91Å; Y213-L215 VanDerWaalsContact C-N 3.35Å; Y213-L215 PolarHBondContact O-N 3.28Å; Y213-M216 PolarHBondContact O-N 2.78Å; Y213-M216 VanDerWaalsContact O-N 3.14Å; Y213-D217 HydrophobicContact CD1-CB 4.46Å; Y213-D217 HydrophobicContact CE1-CB 4.07Å; Y213-D217 WeakPolarHBondContact O-CB 3.45Å; Y213-D217 PolarHBondContact O-N 2.79Å; Y213-L257 VanDerWaalsContact CD2-O 3.31Å; Y213-L257 WeakPolarHBondContact CD2-O 3.06Å; Y213-L257 VanDerWaalsContact CE2-O 3.29Å; Y213-L257 WeakPolarHBondContact CE2-O 3.38Å; Y213-A260 HydrophobicContact CD2-CB 4.08Å
214A96.4Very high94.7Very high28 Ų2849.7 Ų49.723%0.23125%0.246CC..Hα-helixtrans-59.8-40.9-179.900000112.9K210 M216 D217 H218 G219K210-A214 VanDerWaalsContact O-CB 3.29Å; K210-A214 WeakPolarHBondContact O-CB 3.32Å; K210-A214 PolarHBondContact O-N 3.28Å; A214-M216 VanDerWaalsContact C-N 3.34Å; A214-M216 PolarHBondContact O-N 3.5Å; A214-D217 PolarHBondContact O-N 2.79Å; A214-H218 PolarHBondContact O-N 3.16Å; A214-G219 PolarHBondContact O-N 3.35Å
215L96.1Very high95.2Very high28 Ų2845.2 Ų45.215%0.14723%0.229CC..Hα-helixtrans-64.3-37176.5-177.557.7000112.3S211 L212 Y213 G219 E221 L225 V294 H297 V298S211-L215 WeakPolarHBondContact O-CB 3.35Å; S211-L215 PolarHBondContact O-N 3.12Å; L212-L215 PolarHBondContact O-N 2.81Å; Y213-L215 VanDerWaalsContact C-N 3.35Å; Y213-L215 PolarHBondContact O-N 3.28Å; L215-G219 PolarHBondContact O-N 3.47Å; L215-E221 HydrophobicContact CD1-CB 4.33Å; L215-L225 HydrophobicContact CD1-CD1 4.44Å; L215-L225 HydrophobicContact CD2-CD1 4.31Å; L215-L225 HydrophobicContact CG-CD1 4.06Å; L215-V294 HydrophobicContact CB-CG1 4.3Å; L215-V294 HydrophobicContact CD2-CG1 3.94Å; L215-V294 HydrophobicContact CG-CG1 4.25Å; L215-H297 HydrophobicContact CD2-CB 3.72Å; L215-V298 HydrophobicContact CB-CG2 4.23Å; L215-V298 HydrophobicContact CD2-CG2 3.65Å
216M97.3Very high95.7Very high1 Ų143.2 Ų43.21%0.00522%0.217CC..Hα-helixtrans-76-32.7175.9-69.6169.962.500113.3L212 Y213 A214 R222 L256 L257 A260 F290 V294L212-M216 HydrophobicContact CD2-SD 3.56Å; L212-M216 VanDerWaalsContact CD2-SD 3.56Å; L212-M216 PolarHBondContact O-N 3.05Å; Y213-M216 PolarHBondContact O-N 2.78Å; Y213-M216 VanDerWaalsContact O-N 3.14Å; A214-M216 VanDerWaalsContact C-N 3.34Å; A214-M216 PolarHBondContact O-N 3.5Å; M216-R222 VanDerWaalsContact O-CD 3.22Å; M216-R222 WeakPolarHBondContact O-CD 3.46Å; M216-R222 VanDerWaalsContact O-CG 3.3Å; M216-R222 WeakPolarHBondContact O-CG 3.49Å; M216-L256 HydrophobicContact CE-CB 3.91Å; M216-L257 HydrophobicContact CB-CD2 3.55Å; M216-L257 HydrophobicContact CE-CD2 4.41Å; M216-A260 HydrophobicContact CE-CB 4.42Å; M216-A260 HydrophobicContact SD-CB 4.06Å; M216-F290 HydrophobicContact CE-CD1 4.36Å; M216-F290 HydrophobicContact CE-CE1 4.18Å; M216-V294 HydrophobicContact CG-CB 4.33Å; M216-V294 HydrophobicContact CG-CG1 3.73Å; M216-V294 HydrophobicContact CG-CG2 3.76Å; M216-V294 HydrophobicContact SD-CB 4.4Å; M216-V294 HydrophobicContact SD-CG1 4.14Å; M216-V294 HydrophobicContact SD-CG2 3.98Å
217D95.9Very high95.9Very high53 Ų5344.3 Ų44.328%0.28322%0.22SC..Hα-helixtrans-86.4-46.8-175.3-178.356.2000113Y213 A214 R222 L257Y213-D217 HydrophobicContact CD1-CB 4.46Å; Y213-D217 HydrophobicContact CE1-CB 4.07Å; Y213-D217 WeakPolarHBondContact O-CB 3.45Å; Y213-D217 PolarHBondContact O-N 2.79Å; A214-D217 PolarHBondContact O-N 2.79Å; D217-R222 VanDerWaalsContact O-CD 3.23Å; D217-R222 WeakPolarHBondContact O-CD 3.45Å; D217-R222 PolarHBondContact O-NH1 2.71Å; D217-R222 IonicContact OD1-NH1 3.35Å; D217-L257 HydrophobicContact CB-CD2 4.03Å
218H94.1Very high96.2Very high130 Ų13044.3 Ų44.360%0.60222%0.219SC*.THydrogen-bonded Turntrans-141.66.9-173.249.4-97.7000115.1A214A214-H218 PolarHBondContact O-N 3.16Å
219G92.5Very high96.4Very high20 Ų2044.9 Ų44.921%0.20622%0.221CC..  trans-68.4149.1173.500000113.6A214 L215 E221 R222A214-G219 PolarHBondContact O-N 3.35Å; L215-G219 PolarHBondContact O-N 3.47Å; G219-E221 PolarHBondContact O-N 2.9Å; G219-E221 VanDerWaalsContact O-N 3.14Å; G219-R222 WeakPolarHBondContact O-CB 3.48Å; G219-R222 PolarHBondContact O-N 3.04Å
220L93Very high96.5Very high156 Ų15646.2 Ų46.282%0.81723%0.226SC*.THydrogen-bonded Turntrans-59.1-28.5-175.8-59.7176.1000113.9
221E94.5Very high96.6Very high43 Ų4342.4 Ų42.420%0.20121%0.209CC..THydrogen-bonded Turntrans-85-12-177.5-62.7169.6-163.400112.7L215 G219 E223 A224 L225 H297 E332L215-E221 HydrophobicContact CD1-CB 4.33Å; G219-E221 PolarHBondContact O-N 2.9Å; G219-E221 VanDerWaalsContact O-N 3.14Å; E221-E223 PolarHBondContact O-N 3.45Å; E221-E223 VanDerWaalsContact O-N 3.14Å; E221-A224 PolarHBondContact O-N 2.84Å; E221-L225 HydrophobicContact CB-CD1 4.06Å; E221-L225 HydrophobicContact CB-CG 4.27Å; E221-L225 WeakPolarHBondContact O-CG 3.48Å; E221-L225 PolarHBondContact O-N 3.21Å; E221-H297 IonicContact OE2-CD2 3.19Å; E221-H297 PolarHBondContact OE2-CD2 3.17Å; E221-H297 IonicContact OE2-CG 3.4Å; E221-E332 HydrophobicContact CB-CB 4.03Å; E221-E332 HydrophobicContact CB-CG 4.47Å; E221-E332 HydrophobicContact CG-CB 3.85Å
222R96Very high96.6Very high55 Ų5543.3 Ų43.321%0.20821%0.209CC..Hα-helixtrans-40.3-55.5-173.9166.3-179.2156.2138.12.9114.1M216 D217 G219 A224 L225 K226 W253M216-R222 VanDerWaalsContact O-CD 3.22Å; M216-R222 WeakPolarHBondContact O-CD 3.46Å; M216-R222 VanDerWaalsContact O-CG 3.3Å; M216-R222 WeakPolarHBondContact O-CG 3.49Å; D217-R222 VanDerWaalsContact O-CD 3.23Å; D217-R222 WeakPolarHBondContact O-CD 3.45Å; D217-R222 PolarHBondContact O-NH1 2.71Å; D217-R222 IonicContact OD1-NH1 3.35Å; G219-R222 WeakPolarHBondContact O-CB 3.48Å; G219-R222 PolarHBondContact O-N 3.04Å; R222-A224 VanDerWaalsContact C-N 3.29Å; R222-A224 PolarHBondContact O-N 3.02Å; R222-L225 PolarHBondContact O-N 2.77Å; R222-K226 WeakPolarHBondContact O-CB 3.29Å; R222-K226 PolarHBondContact O-N 3.23Å; R222-W253 HydrophobicContact CG-CZ2 4.27Å
223E97.4Very high96.6Very high90 Ų9044.9 Ų44.942%0.42122%0.217SC..Hα-helixtrans-73.9-21.2-171.8-66.6-58.8138.200112.7E221 R227E221-E223 PolarHBondContact O-N 3.45Å; E221-E223 VanDerWaalsContact O-N 3.14Å; E223-R227 VanDerWaalsContact C-NH1 3.34Å; E223-R227 WeakPolarHBondContact O-CG 3.24Å; E223-R227 PolarHBondContact O-N 3.07Å; E223-R227 PolarHBondContact O-NH1 2.98Å
224A98.1Very high96.5Very high9 Ų941.9 Ų41.97%0.07421%0.206CC..Hα-helixtrans-78.7-43.5170.500000111.5E221 R222 K226 R227 R228 E332E221-A224 PolarHBondContact O-N 2.84Å; R222-A224 VanDerWaalsContact C-N 3.29Å; R222-A224 PolarHBondContact O-N 3.02Å; A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 2.86Å; A224-R227 PolarHBondContact O-N 3.23Å; A224-R227 VanDerWaalsContact O-N 3.15Å; A224-R228 WeakPolarHBondContact O-CG 3.38Å; A224-R228 PolarHBondContact O-N 3.1Å; A224-E332 HydrophobicContact CB-CG 3.89Å; A224-E332 WeakPolarHBondContact CB-OE2 3.34Å
225L98.5Very high96.3Very high0 Ų043.5 Ų43.50%021%0.209CC..Hα-helixtrans-55-43.5171-61172.1000110.9L215 E221 R222 R228 W229 F290 F293 E332L215-L225 HydrophobicContact CD1-CD1 4.44Å; L215-L225 HydrophobicContact CD2-CD1 4.31Å; L215-L225 HydrophobicContact CG-CD1 4.06Å; E221-L225 HydrophobicContact CB-CD1 4.06Å; E221-L225 HydrophobicContact CB-CG 4.27Å; E221-L225 WeakPolarHBondContact O-CG 3.48Å; E221-L225 PolarHBondContact O-N 3.21Å; R222-L225 PolarHBondContact O-N 2.77Å; L225-R228 PolarHBondContact O-N 2.74Å; L225-W229 PolarHBondContact O-N 3.1Å; L225-F290 HydrophobicContact CB-CE2 4.41Å; L225-F290 HydrophobicContact CB-CZ 3.94Å; L225-F290 WeakPolarHBondContact O-CE2 3.44Å; L225-F290 WeakPolarHBondContact O-CZ 3.41Å; L225-F293 HydrophobicContact CD2-CD1 4.07Å; L225-F293 HydrophobicContact CD2-CE1 3.68Å; L225-E332 HydrophobicContact CD2-CG 4.11Å; L225-E332 HydrophobicContact CG-CG 4.48Å
226K98.4Very high96.1Very high37 Ų3746.3 Ų46.316%0.16122%0.221CC..Hα-helixtrans-62.3-42.6175.2-171.8178.9-174.2-167.10113.4R222 A224 W229 R230 W253R222-K226 WeakPolarHBondContact O-CB 3.29Å; R222-K226 PolarHBondContact O-N 3.23Å; A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 2.86Å; K226-W229 HydrophobicContact CG-CE3 4.4Å; K226-W229 PolarHBondContact O-N 2.93Å; K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 2.88Å; K226-W253 HydrophobicContact CB-CD2 4.48Å; K226-W253 HydrophobicContact CB-CE3 4.13Å; K226-W253 HydrophobicContact CB-CH2 3.72Å; K226-W253 HydrophobicContact CB-CZ2 4.12Å; K226-W253 HydrophobicContact CB-CZ3 3.73Å; K226-W253 HydrophobicContact CD-CD2 3.97Å; K226-W253 HydrophobicContact CD-CE3 4.31Å; K226-W253 HydrophobicContact CD-CG 4.3Å; K226-W253 HydrophobicContact CD-CZ2 4.44Å; K226-W253 HydrophobicContact CG-CD2 3.86Å; K226-W253 HydrophobicContact CG-CE3 3.67Å; K226-W253 HydrophobicContact CG-CH2 4.16Å; K226-W253 HydrophobicContact CG-CZ2 4.35Å; K226-W253 HydrophobicContact CG-CZ3 3.82Å
227R98.2Very high95.9Very high36 Ų3646.5 Ų46.514%0.13622%0.222CC..Hα-helixtrans-63.7-42.9175.3-75.9-169.4-50-782.3112.1E223 A224 R230 W231 D387 G389 W394E223-R227 VanDerWaalsContact C-NH1 3.34Å; E223-R227 WeakPolarHBondContact O-CG 3.24Å; E223-R227 PolarHBondContact O-N 3.07Å; E223-R227 PolarHBondContact O-NH1 2.98Å; A224-R227 PolarHBondContact O-N 3.23Å; A224-R227 VanDerWaalsContact O-N 3.15Å; R227-R230 PolarHBondContact O-N 3.38Å; R227-W231 VanDerWaalsContact O-CB 3.3Å; R227-W231 WeakPolarHBondContact O-CB 3.47Å; R227-W231 PolarHBondContact O-N 3.19Å; R227-D387 VanDerWaalsContact CB-OD1 3.31Å; R227-D387 WeakPolarHBondContact CB-OD1 3.39Å; R227-D387 IonicContact CZ-OD1 3.7Å; R227-D387 IonicContact CZ-OD2 3Å; R227-D387 IonicContact NE-OD1 3.15Å; R227-D387 PolarHBondContact NE-OD1 3.34Å; R227-D387 IonicContact NE-OD2 2.71Å; R227-D387 PolarHBondContact NE-OD2 3.01Å; R227-D387 IonicContact NH2-OD1 2.71Å; R227-D387 IonicContact NH2-OD2 3.34Å; R227-D387 PolarHBondContact NH2-OD2 3.23Å; R227-G389 WeakPolarHBondContact CD-O 3.45Å; R227-G389 PolarHBondContact NE-O 3.05Å; R227-W394 HydrophobicContact CG-CZ2 4.4Å
228R98.4Very high95.6Very high23 Ų2347.5 Ų47.59%0.08722%0.224CC..Hα-helixtrans-61.6-44.6176.6-67.5175.8174.3-73.5-7.7112.4A224 L225 W231 Q232 F293 E332 F384 A385 D387A224-R228 WeakPolarHBondContact O-CG 3.38Å; A224-R228 PolarHBondContact O-N 3.1Å; L225-R228 PolarHBondContact O-N 2.74Å; R228-W231 PolarHBondContact O-N 2.88Å; R228-Q232 PolarHBondContact O-N 2.76Å; R228-F293 HydrophobicContact CB-CE1 4.44Å; R228-E332 IonicContact CZ-OE1 2.75Å; R228-E332 IonicContact NE-OE1 2.71Å; R228-E332 PolarHBondContact NE-OE1 3.1Å; R228-E332 IonicContact NH2-OE1 3.74Å; R228-E332 PolarHBondContact NH2-OE1 2.93Å; R228-F384 HydrophobicContact CB-CB 4.13Å; R228-F384 WeakPolarHBondContact CD-O 3.48Å; R228-F384 PolarHBondContact NH1-O 2.78Å; R228-A385 PolarHBondContact NH1-O 3.29Å; R228-D387 HydrophobicContact CG-CB 3.76Å
229W98.5Very high95.4Very high13 Ų1349.5 Ų49.55%0.04923%0.234CC..Hα-helixtrans-59-55.1172.8164.571.4000111.5L225 K226 W231 Q232 Q233 W249 E252 W253 L256 F290 F384L225-W229 PolarHBondContact O-N 3.1Å; K226-W229 HydrophobicContact CG-CE3 4.4Å; K226-W229 PolarHBondContact O-N 2.93Å; W229-W231 PolarHBondContact O-N 2.89Å; W229-Q232 PolarHBondContact O-N 2.95Å; W229-Q233 VanDerWaalsContact O-CB 3.32Å; W229-Q233 WeakPolarHBondContact O-CB 3.34Å; W229-Q233 PolarHBondContact O-N 3.08Å; W229-W249 AromaticContact CH2-CE3 3.67Å; W229-W249 HydrophobicContact CH2-CE3 3.67Å; W229-W249 HydrophobicContact CH2-CZ3 4.04Å; W229-W249 HydrophobicContact CZ2-CE3 4.3Å; W229-W249 HydrophobicContact CZ2-CZ3 4.22Å; W229-W249 AromaticContact CZ3-CE3 3.88Å; W229-W249 HydrophobicContact CZ3-CE3 3.88Å; W229-W249 HydrophobicContact CZ3-CZ3 4.3Å; W229-E252 HydrophobicContact CH2-CB 3.97Å; W229-E252 HydrophobicContact CZ2-CB 4.01Å; W229-W253 HydrophobicContact CD2-CE3 4.19Å; W229-W253 AromaticContact CE3-CE3 3.63Å; W229-W253 HydrophobicContact CE3-CE3 3.63Å; W229-W253 HydrophobicContact CE3-CZ3 4.18Å; W229-W253 HydrophobicContact CH2-CB 4.1Å; W229-W253 HydrophobicContact CZ3-CB 3.96Å; W229-W253 AromaticContact CZ3-CE3 3.89Å; W229-W253 HydrophobicContact CZ3-CE3 3.89Å; W229-L256 HydrophobicContact CD2-CD1 3.98Å; W229-L256 HydrophobicContact CG-CD1 4.27Å; W229-L256 HydrophobicContact CZ2-CD1 3.82Å; W229-F290 HydrophobicContact CB-CD2 3.75Å; W229-F290 HydrophobicContact CB-CE1 4.41Å; W229-F290 HydrophobicContact CB-CE2 3.6Å; W229-F290 HydrophobicContact CB-CG 4.22Å; W229-F290 HydrophobicContact CB-CZ 3.94Å; W229-F290 HydrophobicContact CG-CD2 4.37Å; W229-F290 HydrophobicContact CG-CG 4.38Å; W229-F384 HydrophobicContact CB-CE1 4.41Å
230R97.9Very high95.4Very high29 Ų2952.5 Ų52.511%0.10925%0.252CS..Hα-helixtrans-57.1-39.1-179.8-178.6174.2172.9157.71.1111.6K226 R227 T234 E246 W249 W394K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 2.88Å; R227-R230 PolarHBondContact O-N 3.38Å; R230-T234 VanDerWaalsContact O-CB 3.24Å; R230-T234 WeakPolarHBondContact O-CB 3.48Å; R230-T234 PolarHBondContact O-N 3.23Å; R230-T234 PolarHBondContact O-OG1 3.39Å; R230-E246 IonicContact CZ-OE1 2.71Å; R230-E246 IonicContact CZ-OE2 2.73Å; R230-E246 IonicContact NH1-OE1 3.94Å; R230-E246 PolarHBondContact NH1-OE1 2.89Å; R230-E246 IonicContact NH1-OE2 2.68Å; R230-E246 PolarHBondContact NH1-OE2 2.86Å; R230-E246 IonicContact NH2-OE1 3.52Å; R230-E246 PolarHBondContact NH2-OE1 3.3Å; R230-E246 IonicContact NH2-OE2 3.91Å; R230-W249 HydrophobicContact CB-CE3 4.36Å; R230-W249 HydrophobicContact CB-CZ3 4.27Å; R230-W249 HydrophobicContact CG-CD2 3.87Å; R230-W249 HydrophobicContact CG-CE3 3.79Å; R230-W249 HydrophobicContact CG-CH2 3.95Å; R230-W249 HydrophobicContact CG-CZ2 4.02Å; R230-W249 HydrophobicContact CG-CZ3 3.84Å; R230-W249 VanDerWaalsContact CZ-CD1 3.42Å; R230-W394 HydrophobicContact CB-CH2 3.93Å; R230-W394 HydrophobicContact CB-CZ2 4.29Å; R230-W394 HydrophobicContact CB-CZ3 4.39Å; R230-W394 HydrophobicContact CG-CD2 4.44Å; R230-W394 HydrophobicContact CG-CE3 4.1Å; R230-W394 HydrophobicContact CG-CH2 3.67Å; R230-W394 HydrophobicContact CG-CZ2 4.03Å; R230-W394 HydrophobicContact CG-CZ3 3.7Å; R230-W394 VanDerWaalsContact NE-CD2 3.27Å; R230-W394 VanDerWaalsContact NH2-CB 3.31Å
231W96.9Very high95.3Very high27 Ų2748.4 Ų48.410%0.10225%0.247CC..Hα-helixtrans-60.9-56.6174.6173.8-100.9000112.1R227 R228 W229 Q233 T234 Q235 V386 P388 W392 W394 L404 V407R227-W231 VanDerWaalsContact O-CB 3.3Å; R227-W231 WeakPolarHBondContact O-CB 3.47Å; R227-W231 PolarHBondContact O-N 3.19Å; R228-W231 PolarHBondContact O-N 2.88Å; W229-W231 PolarHBondContact O-N 2.89Å; W231-Q233 VanDerWaalsContact C-N 3.33Å; W231-Q233 PolarHBondContact O-N 3.01Å; W231-T234 WeakPolarHBondContact O-CB 3.27Å; W231-T234 PolarHBondContact O-N 3.1Å; W231-T234 VanDerWaalsContact O-N 3.09Å; W231-Q235 HydrophobicContact CZ2-CG 4.48Å; W231-Q235 VanDerWaalsContact CZ3-NE2 3.34Å; W231-Q235 PolarHBondContact O-N 2.99Å; W231-Q235 VanDerWaalsContact O-N 3.09Å; W231-V386 HydrophobicContact CD2-CG1 4.32Å; W231-V386 HydrophobicContact CG-CG1 4.36Å; W231-V386 HydrophobicContact CZ2-CG1 4.3Å; W231-P388 HydrophobicContact CB-CG 4.29Å; W231-P388 HydrophobicContact CD2-CG 4.48Å; W231-P388 HydrophobicContact CE3-CB 4.11Å; W231-P388 HydrophobicContact CE3-CG 4.12Å; W231-P388 HydrophobicContact CZ3-CB 4.48Å; W231-W392 HydrophobicContact CE3-CZ2 4.44Å; W231-W392 HydrophobicContact CH2-CH2 4.23Å; W231-W392 HydrophobicContact CH2-CZ2 4.29Å; W231-W392 AromaticContact CZ3-CH2 3.89Å; W231-W392 HydrophobicContact CZ3-CH2 3.89Å; W231-W392 AromaticContact CZ3-CZ2 3.53Å; W231-W392 HydrophobicContact CZ3-CZ2 3.53Å; W231-W394 HydrophobicContact CB-CH2 4.15Å; W231-W394 HydrophobicContact CE3-CZ3 4.46Å; W231-L404 HydrophobicContact CH2-CD2 3.73Å; W231-L404 HydrophobicContact CZ3-CD2 4.19Å; W231-V407 HydrophobicContact CH2-CG2 3.32Å; W231-V407 HydrophobicContact CZ2-CG2 3.66Å; W231-V407 HydrophobicContact CZ3-CG2 4.07Å
232Q96.4Very high95.3Very high55 Ų5548.6 Ų48.626%0.25725%0.249SC..Hα-helixtrans-60.8-42.9-179.3179.7161.8-51.400111.5R228 W229 T234 Q235 Q236 H383 F384R228-Q232 PolarHBondContact O-N 2.76Å; W229-Q232 PolarHBondContact O-N 2.95Å; Q232-T234 VanDerWaalsContact C-N 3.3Å; Q232-T234 PolarHBondContact O-N 3.41Å; Q232-Q235 PolarHBondContact O-N 3.32Å; Q232-Q236 PolarHBondContact O-N 3.45Å; Q232-Q236 VanDerWaalsContact O-N 3.1Å; Q232-H383 PolarHBondContact NE2-ND1 3.41Å; Q232-F384 HydrophobicContact CB-CD1 3.75Å; Q232-F384 HydrophobicContact CB-CE1 3.83Å; Q232-F384 HydrophobicContact CG-CD1 4.24Å; Q232-F384 HydrophobicContact CG-CE1 4.03Å
233Q96.5Very high95.2Very high33 Ų3352 Ų5215%0.15428%0.276CS..Hα-helixtrans-65.2-31.7176-172.361.879.100112.7W229 W231 N237 W249W229-Q233 VanDerWaalsContact O-CB 3.32Å; W229-Q233 WeakPolarHBondContact O-CB 3.34Å; W229-Q233 PolarHBondContact O-N 3.08Å; W231-Q233 VanDerWaalsContact C-N 3.33Å; W231-Q233 PolarHBondContact O-N 3.01Å; Q233-N237 PolarHBondContact NE2-OD1 2.93Å; Q233-N237 VanDerWaalsContact NE2-OD1 3.13Å; Q233-N237 WeakPolarHBondContact O-CB 3.18Å; Q233-N237 PolarHBondContact O-N 3.48Å; Q233-N237 PolarHBondContact O-ND2 3.36Å; Q233-W249 HydrophobicContact CB-CH2 3.8Å; Q233-W249 HydrophobicContact CB-CZ3 3.78Å; Q233-W249 HydrophobicContact CG-CH2 3.7Å; Q233-W249 HydrophobicContact CG-CZ3 3.61Å
234T94.9Very high95.1Very high13 Ų1349 Ų498%0.0826%0.261CS..Hα-helixtrans-66.9-42.6174.1-63.50000110.9R230 W231 Q232 N237 K238 W249R230-T234 VanDerWaalsContact O-CB 3.24Å; R230-T234 WeakPolarHBondContact O-CB 3.48Å; R230-T234 PolarHBondContact O-N 3.23Å; R230-T234 PolarHBondContact O-OG1 3.39Å; W231-T234 WeakPolarHBondContact O-CB 3.27Å; W231-T234 PolarHBondContact O-N 3.1Å; W231-T234 VanDerWaalsContact O-N 3.09Å; Q232-T234 VanDerWaalsContact C-N 3.3Å; Q232-T234 PolarHBondContact O-N 3.41Å; T234-N237 PolarHBondContact O-N 3.31Å; T234-K238 HydrophobicContact CG2-CD 4.48Å; T234-K238 WeakPolarHBondContact O-CG 3.4Å; T234-K238 PolarHBondContact O-N 3.43Å; T234-W249 WeakPolarHBondContact OG1-CH2 3.32Å; T234-W249 VanDerWaalsContact OG1-CZ2 3.23Å; T234-W249 WeakPolarHBondContact OG1-CZ2 3.45Å
235Q92.3Very high94.9Very high62 Ų6251.7 Ų51.729%0.2928%0.277SS..Hα-helixtrans-64.6-43.9177-53.8-50.6-28.600111.4W231 Q232 K238 E239W231-Q235 HydrophobicContact CZ2-CG 4.48Å; W231-Q235 VanDerWaalsContact CZ3-NE2 3.34Å; W231-Q235 PolarHBondContact O-N 2.99Å; W231-Q235 VanDerWaalsContact O-N 3.09Å; Q232-Q235 PolarHBondContact O-N 3.32Å; Q235-K238 WeakPolarHBondContact O-CB 3.37Å; Q235-K238 PolarHBondContact O-N 3.19Å; Q235-E239 PolarHBondContact O-N 3Å
236Q92.4Very high94.8Very high87 Ų8756.8 Ų56.841%0.40730%0.3SS..Hα-helixtrans-64.4-41.6174.9-169.6-167.85800112.4Q232 K238 E239Q232-Q236 PolarHBondContact O-N 3.45Å; Q232-Q236 VanDerWaalsContact O-N 3.1Å; Q236-K238 VanDerWaalsContact C-N 3.28Å; Q236-K238 PolarHBondContact O-N 3.06Å; Q236-E239 WeakPolarHBondContact O-CB 3.21Å; Q236-E239 PolarHBondContact O-N 3.43Å
237N93.9Very high94.7Very high5 Ų561.6 Ų61.63%0.02732%0.323CS..Hα-helixtrans-60.4-38.7177.2-79.7-11.6000111.1Q233 T234 E239 S240 G241 L242 K541Q233-N237 PolarHBondContact NE2-OD1 2.93Å; Q233-N237 VanDerWaalsContact NE2-OD1 3.13Å; Q233-N237 WeakPolarHBondContact O-CB 3.18Å; Q233-N237 PolarHBondContact O-N 3.48Å; Q233-N237 PolarHBondContact O-ND2 3.36Å; T234-N237 PolarHBondContact O-N 3.31Å; N237-E239 VanDerWaalsContact C-N 3.34Å; N237-E239 PolarHBondContact O-N 3.42Å; N237-S240 CarbonylContact O-C 3.41Å; N237-S240 PolarHBondContact O-N 2.9Å; N237-S240 PolarHBondContact O-OG 3.16Å; N237-G241 PolarHBondContact O-N 3.38Å; N237-L242 CarbonylContact C-O 3.58Å; N237-L242 HydrophobicContact CB-CB 4.12Å; N237-L242 HydrophobicContact CB-CG 4.36Å; N237-L242 WeakPolarHBondContact CB-O 3.47Å; N237-L242 PolarHBondContact O-N 2.87Å; N237-K541 PolarHBondContact OD1-NZ 2.87Å
238K89.9Confident94.7Very high75 Ų7563.8 Ų63.833%0.32634%0.335SS..Hα-helixtrans-59.5-37.3176-77.6173.7177.31780113.8T234 Q235 Q236 S240 G241 D398T234-K238 HydrophobicContact CG2-CD 4.48Å; T234-K238 WeakPolarHBondContact O-CG 3.4Å; T234-K238 PolarHBondContact O-N 3.43Å; Q235-K238 WeakPolarHBondContact O-CB 3.37Å; Q235-K238 PolarHBondContact O-N 3.19Å; Q236-K238 VanDerWaalsContact C-N 3.28Å; Q236-K238 PolarHBondContact O-N 3.06Å; K238-S240 PolarHBondContact O-N 3.22Å; K238-G241 PolarHBondContact O-N 3.23Å; K238-D398 WeakPolarHBondContact CE-OD2 3.46Å; K238-D398 PolarHBondContact NZ-O 3Å; K238-D398 IonicContact NZ-OD2 3.96Å; K238-D398 PolarHBondContact NZ-OD2 2.89Å
239E89.7Confident94.7Very high172 Ų17263.4 Ų63.480%0.80433%0.334SS*.Hα-helixtrans-59.4-28.2175.3-61.917816900112.3Q235 Q236 N237Q235-E239 PolarHBondContact O-N 3Å; Q236-E239 WeakPolarHBondContact O-CB 3.21Å; Q236-E239 PolarHBondContact O-N 3.43Å; N237-E239 VanDerWaalsContact C-N 3.34Å; N237-E239 PolarHBondContact O-N 3.42Å
240S91.2Very high94.6Very high83 Ų8365.9 Ų65.958%0.5835%0.346SS*.THydrogen-bonded Turntrans-96.4-0.3175.469.50000114.8N237 K238 L242N237-S240 CarbonylContact O-C 3.41Å; N237-S240 PolarHBondContact O-N 2.9Å; N237-S240 PolarHBondContact O-OG 3.16Å; K238-S240 PolarHBondContact O-N 3.22Å; S240-L242 PolarHBondContact O-N 3.08Å; S240-L242 WeakPolarHBondContact OG-CB 3.46Å
241G92.3Very high94.6Very high69 Ų6969.9 Ų69.971%0.71136%0.364SS*.THydrogen-bonded Turntrans68.316.6-172.500000114.7N237 K238N237-G241 PolarHBondContact O-N 3.38Å; K238-G241 PolarHBondContact O-N 3.23Å
242L93.6Very high94.7Very high47 Ų4770 Ų7025%0.24637%0.365CS..  trans-86.3139.9180178.461.3000111N237 S240 Y244 K541N237-L242 CarbonylContact C-O 3.58Å; N237-L242 HydrophobicContact CB-CB 4.12Å; N237-L242 HydrophobicContact CB-CG 4.36Å; N237-L242 WeakPolarHBondContact CB-O 3.47Å; N237-L242 PolarHBondContact O-N 2.87Å; S240-L242 PolarHBondContact O-N 3.08Å; S240-L242 WeakPolarHBondContact OG-CB 3.46Å; L242-Y244 HydrophobicContact CD1-CD1 4.29Å; L242-Y244 HydrophobicContact CD1-CE1 4.36Å; L242-Y244 HydrophobicContact CD2-CD1 4.29Å; L242-Y244 HydrophobicContact CD2-CE1 3.79Å; L242-Y244 HydrophobicContact CG-CD1 4.28Å; L242-Y244 HydrophobicContact CG-CE1 4.28Å; L242-K541 HydrophobicContact CD2-CD 3.61Å; L242-K541 VanDerWaalsContact CD2-CE 3.47Å; L242-K541 HydrophobicContact CD2-CG 4.1Å
243V93.6Very high94.8Very high127 Ų12767.3 Ų67.377%0.7735%0.353SS*.  trans-132.7130169.9-176.70000107.5
244Y94.9Very high94.8Very high27 Ų2769.5 Ų69.511%0.10637%0.366CS..  trans-95.4146177.9-79.8-21.5000111.4L242 E248 W249 E252 K541L242-Y244 HydrophobicContact CD1-CD1 4.29Å; L242-Y244 HydrophobicContact CD1-CE1 4.36Å; L242-Y244 HydrophobicContact CD2-CD1 4.29Å; L242-Y244 HydrophobicContact CD2-CE1 3.79Å; L242-Y244 HydrophobicContact CG-CD1 4.28Å; L242-Y244 HydrophobicContact CG-CE1 4.28Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.21Å; Y244-E248 HydrophobicContact CD1-CB 4.07Å; Y244-E248 HydrophobicContact CG-CB 4.03Å; Y244-W249 AromaticContact CD2-CD2 3.96Å; Y244-W249 HydrophobicContact CD2-CD2 3.96Å; Y244-W249 AromaticContact CD2-CE3 3.94Å; Y244-W249 HydrophobicContact CD2-CE3 3.94Å; Y244-W249 HydrophobicContact CD2-CH2 4.05Å; Y244-W249 HydrophobicContact CD2-CZ2 4.06Å; Y244-W249 AromaticContact CD2-CZ3 3.98Å; Y244-W249 HydrophobicContact CD2-CZ3 3.98Å; Y244-W249 HydrophobicContact CE2-CZ3 4.5Å; Y244-W249 PolarHBondContact O-NE1 2.91Å; Y244-E252 HydrophobicContact CE2-CG 3.76Å; Y244-E252 PolarHBondContact OH-OE2 3.49Å; Y244-K541 WeakPolarHBondContact OH-CE 3.25Å; Y244-K541 PolarHBondContact OH-NZ 3.19Å
245T95.6Very high95Very high66 Ų6672.5 Ų72.541%0.40538%0.379SS..  trans-75.8169.4166.681.80000111.8E247 E248 W249T245-E247 VanDerWaalsContact C-N 3.27Å; T245-E247 WeakPolarHBondContact CB-OE2 3.4Å; T245-E247 PolarHBondContact O-N 2.99Å; T245-E247 PolarHBondContact OG1-N 3.11Å; T245-E247 PolarHBondContact OG1-OE2 3.42Å; T245-E248 PolarHBondContact N-OE2 2.97Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 PolarHBondContact OG1-N 3.13Å; T245-W249 PolarHBondContact O-N 3.39Å
246E95.3Very high95.2Very high106 Ų10669.7 Ų69.750%0.49537%0.366SS..Hα-helixtrans-62.5-34.8175.5-66.7-56.4140.500112.5R230 W249 Q250R230-E246 IonicContact CZ-OE1 2.71Å; R230-E246 IonicContact CZ-OE2 2.73Å; R230-E246 IonicContact NH1-OE1 3.94Å; R230-E246 PolarHBondContact NH1-OE1 2.89Å; R230-E246 IonicContact NH1-OE2 2.68Å; R230-E246 PolarHBondContact NH1-OE2 2.86Å; R230-E246 IonicContact NH2-OE1 3.52Å; R230-E246 PolarHBondContact NH2-OE1 3.3Å; R230-E246 IonicContact NH2-OE2 3.91Å; E246-W249 PolarHBondContact O-N 3.39Å; E246-Q250 WeakPolarHBondContact O-CB 3.15Å; E246-Q250 PolarHBondContact O-N 2.94Å
247E97.3Very high95.5Very high139 Ų13966.4 Ų66.465%0.6535%0.351SS*.Hα-helixtrans-67.1-38.5175.5-55.475.8-165.400111.3T245 K251T245-E247 VanDerWaalsContact C-N 3.27Å; T245-E247 WeakPolarHBondContact CB-OE2 3.4Å; T245-E247 PolarHBondContact O-N 2.99Å; T245-E247 PolarHBondContact OG1-N 3.11Å; T245-E247 PolarHBondContact OG1-OE2 3.42Å; E247-K251 VanDerWaalsContact O-CB 3.24Å; E247-K251 WeakPolarHBondContact O-CB 3.14Å; E247-K251 PolarHBondContact O-N 2.93Å
248E97.6Very high95.6Very high82 Ų8271.5 Ų71.538%0.38337%0.373SS..Hα-helixtrans-67.7-46.4173.4-68.1179.9134.900110.9Y244 T245 Q250 K251 E252Y244-E248 WeakPolarHBondContact CA-OE2 3.21Å; Y244-E248 HydrophobicContact CD1-CB 4.07Å; Y244-E248 HydrophobicContact CG-CB 4.03Å; T245-E248 PolarHBondContact N-OE2 2.97Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 PolarHBondContact OG1-N 3.13Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.39Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-K251 VanDerWaalsContact O-N 3.15Å; E248-E252 WeakPolarHBondContact O-CG 3.47Å; E248-E252 PolarHBondContact O-N 2.97Å
249W97.3Very high95.9Very high14 Ų1468.8 Ų68.85%0.05336%0.362CS..Hα-helixtrans-56.3-43174-78.7118.8000112.8W229 R230 Q233 T234 Y244 T245 E246 W253W229-W249 AromaticContact CH2-CE3 3.67Å; W229-W249 HydrophobicContact CH2-CE3 3.67Å; W229-W249 HydrophobicContact CH2-CZ3 4.04Å; W229-W249 HydrophobicContact CZ2-CE3 4.3Å; W229-W249 HydrophobicContact CZ2-CZ3 4.22Å; W229-W249 AromaticContact CZ3-CE3 3.88Å; W229-W249 HydrophobicContact CZ3-CE3 3.88Å; W229-W249 HydrophobicContact CZ3-CZ3 4.3Å; R230-W249 HydrophobicContact CB-CE3 4.36Å; R230-W249 HydrophobicContact CB-CZ3 4.27Å; R230-W249 HydrophobicContact CG-CD2 3.87Å; R230-W249 HydrophobicContact CG-CE3 3.79Å; R230-W249 HydrophobicContact CG-CH2 3.95Å; R230-W249 HydrophobicContact CG-CZ2 4.02Å; R230-W249 HydrophobicContact CG-CZ3 3.84Å; R230-W249 VanDerWaalsContact CZ-CD1 3.42Å; Q233-W249 HydrophobicContact CB-CH2 3.8Å; Q233-W249 HydrophobicContact CB-CZ3 3.78Å; Q233-W249 HydrophobicContact CG-CH2 3.7Å; Q233-W249 HydrophobicContact CG-CZ3 3.61Å; T234-W249 WeakPolarHBondContact OG1-CH2 3.32Å; T234-W249 VanDerWaalsContact OG1-CZ2 3.23Å; T234-W249 WeakPolarHBondContact OG1-CZ2 3.45Å; Y244-W249 AromaticContact CD2-CD2 3.96Å; Y244-W249 HydrophobicContact CD2-CD2 3.96Å; Y244-W249 AromaticContact CD2-CE3 3.94Å; Y244-W249 HydrophobicContact CD2-CE3 3.94Å; Y244-W249 HydrophobicContact CD2-CH2 4.05Å; Y244-W249 HydrophobicContact CD2-CZ2 4.06Å; Y244-W249 AromaticContact CD2-CZ3 3.98Å; Y244-W249 HydrophobicContact CD2-CZ3 3.98Å; Y244-W249 HydrophobicContact CE2-CZ3 4.5Å; Y244-W249 PolarHBondContact O-NE1 2.91Å; T245-W249 PolarHBondContact O-N 3.39Å; E246-W249 PolarHBondContact O-N 3.39Å; W249-W253 WeakPolarHBondContact O-CB 3.46Å; W249-W253 PolarHBondContact O-N 2.73Å; W249-W253 VanDerWaalsContact O-N 3.15Å
250Q97.8Very high96.2Very high66 Ų6660.6 Ų60.631%0.30832%0.324SS..Hα-helixtrans-72.5-33.4178-170.955.75500112.3E246 E248 N254E246-Q250 WeakPolarHBondContact O-CB 3.15Å; E246-Q250 PolarHBondContact O-N 2.94Å; E248-Q250 VanDerWaalsContact C-N 3.31Å; E248-Q250 PolarHBondContact O-N 3.39Å; Q250-N254 PolarHBondContact NE2-OD1 3.29Å; Q250-N254 WeakPolarHBondContact O-CB 3.35Å; Q250-N254 PolarHBondContact O-N 2.86Å; Q250-N254 PolarHBondContact O-ND2 2.87Å; Q250-N254 PolarHBondContact O-OD1 3.41Å
251K98.1Very high96.4Very high113 Ų11357.4 Ų57.449%0.49130%0.301SS..Hα-helixtrans-64.6-48.1174175.3178.9162.2-79.30111.8E247 E248 W253 N254 E255E247-K251 VanDerWaalsContact O-CB 3.24Å; E247-K251 WeakPolarHBondContact O-CB 3.14Å; E247-K251 PolarHBondContact O-N 2.93Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-K251 VanDerWaalsContact O-N 3.15Å; K251-W253 VanDerWaalsContact C-N 3.31Å; K251-W253 PolarHBondContact O-N 3.19Å; K251-N254 WeakPolarHBondContact O-CB 3.25Å; K251-N254 PolarHBondContact O-N 3.23Å; K251-N254 VanDerWaalsContact O-N 3.1Å; K251-E255 PolarHBondContact O-N 2.92Å
252E98.1Very high96.4Very high28 Ų2856.1 Ų56.113%0.13128%0.281CS..Hα-helixtrans-67.4-35.4-177.9-56.5-81.4100.900110.5W229 Y244 E248 N254 E255 L256W229-E252 HydrophobicContact CH2-CB 3.97Å; W229-E252 HydrophobicContact CZ2-CB 4.01Å; Y244-E252 HydrophobicContact CE2-CG 3.76Å; Y244-E252 PolarHBondContact OH-OE2 3.49Å; E248-E252 WeakPolarHBondContact O-CG 3.47Å; E248-E252 PolarHBondContact O-N 2.97Å; E252-N254 PolarHBondContact O-N 3Å; E252-E255 PolarHBondContact O-N 2.94Å; E252-L256 PolarHBondContact O-N 2.82Å
253W98Very high96.2Very high0 Ų060.7 Ų60.70%030%0.302CS..Hα-helixtrans-61.7-39.3168.9-178.5-95.1000113.2R222 K226 W229 W249 K251 L256 L257 F290R222-W253 HydrophobicContact CG-CZ2 4.27Å; K226-W253 HydrophobicContact CB-CD2 4.48Å; K226-W253 HydrophobicContact CB-CE3 4.13Å; K226-W253 HydrophobicContact CB-CH2 3.72Å; K226-W253 HydrophobicContact CB-CZ2 4.12Å; K226-W253 HydrophobicContact CB-CZ3 3.73Å; K226-W253 HydrophobicContact CD-CD2 3.97Å; K226-W253 HydrophobicContact CD-CE3 4.31Å; K226-W253 HydrophobicContact CD-CG 4.3Å; K226-W253 HydrophobicContact CD-CZ2 4.44Å; K226-W253 HydrophobicContact CG-CD2 3.86Å; K226-W253 HydrophobicContact CG-CE3 3.67Å; K226-W253 HydrophobicContact CG-CH2 4.16Å; K226-W253 HydrophobicContact CG-CZ2 4.35Å; K226-W253 HydrophobicContact CG-CZ3 3.82Å; W229-W253 HydrophobicContact CD2-CE3 4.19Å; W229-W253 AromaticContact CE3-CE3 3.63Å; W229-W253 HydrophobicContact CE3-CE3 3.63Å; W229-W253 HydrophobicContact CE3-CZ3 4.18Å; W229-W253 HydrophobicContact CH2-CB 4.1Å; W229-W253 HydrophobicContact CZ3-CB 3.96Å; W229-W253 AromaticContact CZ3-CE3 3.89Å; W229-W253 HydrophobicContact CZ3-CE3 3.89Å; W249-W253 WeakPolarHBondContact O-CB 3.46Å; W249-W253 PolarHBondContact O-N 2.73Å; W249-W253 VanDerWaalsContact O-N 3.15Å; K251-W253 VanDerWaalsContact C-N 3.31Å; K251-W253 PolarHBondContact O-N 3.19Å; W253-L256 HydrophobicContact CE3-CD1 4.19Å; W253-L256 WeakPolarHBondContact O-CB 3.33Å; W253-L256 PolarHBondContact O-N 3.33Å; W253-L257 PolarHBondContact O-N 3.37Å; W253-F290 AromaticContact CH2-CE1 3.75Å; W253-F290 HydrophobicContact CH2-CE1 3.75Å; W253-F290 AromaticContact CH2-CZ 3.96Å; W253-F290 HydrophobicContact CH2-CZ 3.96Å; W253-F290 HydrophobicContact CZ3-CD1 4.41Å; W253-F290 AromaticContact CZ3-CE1 3.43Å; W253-F290 HydrophobicContact CZ3-CE1 3.43Å; W253-F290 VanDerWaalsContact CZ3-CE1 3.43Å; W253-F290 AromaticContact CZ3-CZ 3.73Å; W253-F290 HydrophobicContact CZ3-CZ 3.73Å
254N97.9Very high95.9Very high79 Ų7957.7 Ų57.742%0.42229%0.285SS..Hα-helixtrans-69.1-33.1177.2-68.1-7.6000112.2Q250 K251 E252 K258Q250-N254 PolarHBondContact NE2-OD1 3.29Å; Q250-N254 WeakPolarHBondContact O-CB 3.35Å; Q250-N254 PolarHBondContact O-N 2.86Å; Q250-N254 PolarHBondContact O-ND2 2.87Å; Q250-N254 PolarHBondContact O-OD1 3.41Å; K251-N254 WeakPolarHBondContact O-CB 3.25Å; K251-N254 PolarHBondContact O-N 3.23Å; K251-N254 VanDerWaalsContact O-N 3.1Å; E252-N254 PolarHBondContact O-N 3Å; N254-K258 WeakPolarHBondContact O-CB 3.33Å; N254-K258 PolarHBondContact O-N 3.38Å; N254-K258 VanDerWaalsContact O-N 3.09Å
255E97.9Very high95.3Very high75 Ų7560.3 Ų60.335%0.3529%0.294SS..Hα-helixtrans-68.9-38.8172.3-68.1-68.1146.200111.3K251 E252 K258 L259K251-E255 PolarHBondContact O-N 2.92Å; E252-E255 PolarHBondContact O-N 2.94Å; E255-K258 WeakPolarHBondContact O-CB 3.41Å; E255-K258 PolarHBondContact O-N 2.79Å; E255-K258 VanDerWaalsContact O-N 3.15Å; E255-K258 IonicContact OE1-NZ 2.63Å; E255-K258 PolarHBondContact OE1-NZ 2.94Å; E255-K258 IonicContact OE2-NZ 2.62Å; E255-K258 PolarHBondContact OE2-NZ 3.21Å; E255-L259 WeakPolarHBondContact O-CG 3.38Å; E255-L259 PolarHBondContact O-N 3.43Å
256L98Very high94.3Very high4 Ų463.2 Ų63.22%0.02131%0.306CS..Hα-helixtrans-57.5-49.3170.7-72.7171.3000112.3M216 W229 E252 W253 K258 L259 A260 E288 F290 H291M216-L256 HydrophobicContact CE-CB 3.91Å; W229-L256 HydrophobicContact CD2-CD1 3.98Å; W229-L256 HydrophobicContact CG-CD1 4.27Å; W229-L256 HydrophobicContact CZ2-CD1 3.82Å; E252-L256 PolarHBondContact O-N 2.82Å; W253-L256 HydrophobicContact CE3-CD1 4.19Å; W253-L256 WeakPolarHBondContact O-CB 3.33Å; W253-L256 PolarHBondContact O-N 3.33Å; L256-K258 PolarHBondContact O-N 3.19Å; L256-L259 PolarHBondContact O-N 3.39Å; L256-A260 PolarHBondContact O-N 3.06Å; L256-E288 VanDerWaalsContact CD2-OE2 3.25Å; L256-E288 WeakPolarHBondContact CD2-OE2 3.19Å; L256-F290 HydrophobicContact CD1-CD1 4.03Å; L256-H291 VanDerWaalsContact CD2-CE1 3.46Å; L256-H291 WeakPolarHBondContact CD2-CE1 3.35Å; L256-H291 PolarHBondContact O-NE2 3.32Å
257L97.2Very high92.6Very high17 Ų1764.6 Ų64.69%0.08931%0.312CS..Hα-helixtrans-55.4-39.1174.8-78170.8000112.4Y213 M216 D217 W253 A260 S261Y213-L257 VanDerWaalsContact CD2-O 3.31Å; Y213-L257 WeakPolarHBondContact CD2-O 3.06Å; Y213-L257 VanDerWaalsContact CE2-O 3.29Å; Y213-L257 WeakPolarHBondContact CE2-O 3.38Å; M216-L257 HydrophobicContact CB-CD2 3.55Å; M216-L257 HydrophobicContact CE-CD2 4.41Å; D217-L257 HydrophobicContact CB-CD2 4.03Å; W253-L257 PolarHBondContact O-N 3.37Å; L257-A260 PolarHBondContact O-N 3.47Å; L257-S261 PolarHBondContact O-N 3.26Å
258K96.8Very high90.1Very high112 Ų11267 Ų6749%0.48732%0.317SS..Hα-helixtrans-71.8-36178.7173.1-178.5160.9-151.90113N254 E255 L256 A260 S261N254-K258 WeakPolarHBondContact O-CB 3.33Å; N254-K258 PolarHBondContact O-N 3.38Å; N254-K258 VanDerWaalsContact O-N 3.09Å; E255-K258 WeakPolarHBondContact O-CB 3.41Å; E255-K258 PolarHBondContact O-N 2.79Å; E255-K258 VanDerWaalsContact O-N 3.15Å; E255-K258 IonicContact OE1-NZ 2.63Å; E255-K258 PolarHBondContact OE1-NZ 2.94Å; E255-K258 IonicContact OE2-NZ 2.62Å; E255-K258 PolarHBondContact OE2-NZ 3.21Å; L256-K258 PolarHBondContact O-N 3.19Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 3.32Å; K258-S261 WeakPolarHBondContact O-CB 3.44Å; K258-S261 PolarHBondContact O-N 3.05Å
259L96.7Very high87.5Confident19 Ų1968 Ų6810%0.09933%0.333CS..Hα-helixtrans-63.3-35.1170.1-65.1177000111.4R209 E255 L256 E285 L287 E288R209-L259 PolarHBondContact NH2-O 3.36Å; E255-L259 WeakPolarHBondContact O-CG 3.38Å; E255-L259 PolarHBondContact O-N 3.43Å; L256-L259 PolarHBondContact O-N 3.39Å; L259-E285 HydrophobicContact CD2-CB 3.75Å; L259-E285 HydrophobicContact CD2-CG 4.13Å; L259-L287 HydrophobicContact CB-CD2 4.39Å; L259-L287 VanDerWaalsContact O-CD2 3.25Å; L259-L287 WeakPolarHBondContact O-CD2 3.29Å; L259-E288 HydrophobicContact CD1-CG 3.98Å
260A96.3Very high84.7Confident0 Ų073.6 Ų73.60%037%0.369CS..Hα-helixtrans-73.6-24.8174.700000114.4L212 Y213 M216 L256 L257 K258 S262L212-A260 HydrophobicContact CD2-CB 3.84Å; Y213-A260 HydrophobicContact CD2-CB 4.08Å; M216-A260 HydrophobicContact CE-CB 4.42Å; M216-A260 HydrophobicContact SD-CB 4.06Å; L256-A260 PolarHBondContact O-N 3.06Å; L257-A260 PolarHBondContact O-N 3.47Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 3.32Å; A260-S262 PolarHBondContact O-N 3.18Å
261S94.6Very high82Confident16 Ų1677.3 Ų77.311%0.11239%0.391CS..  trans-54.3128.4-176177.80000112.6R209 L257 K258 E263R209-S261 PolarHBondContact NH1-O 3.35Å; R209-S261 PolarHBondContact NH2-O 3.26Å; L257-S261 PolarHBondContact O-N 3.26Å; K258-S261 WeakPolarHBondContact O-CB 3.44Å; K258-S261 PolarHBondContact O-N 3.05Å; S261-E263 PolarHBondContact O-N 3.06Å; S261-E263 WeakPolarHBondContact OG-CG 3.45Å; S261-E263 PolarHBondContact OG-N 3.46Å; S261-E263 PolarHBondContact OG-OE2 3.49Å; S261-E263 VanDerWaalsContact OG-OE2 3.11Å
262S92.1Very high79.4Confident41 Ų4176 Ų7629%0.28741%0.409SS..SBendtrans-65.3-0.8-179.8560000115.4A260A260-S262 PolarHBondContact O-N 3.18Å
263E89.5Confident76.7Confident144 Ų14480 Ų8067%0.67344%0.436SS*.PPolyproline II helixtrans-67.2138.7175.5-66.3171.614000111.6S261S261-E263 PolarHBondContact O-N 3.06Å; S261-E263 WeakPolarHBondContact OG-CG 3.45Å; S261-E263 PolarHBondContact OG-N 3.46Å; S261-E263 PolarHBondContact OG-OE2 3.49Å; S261-E263 VanDerWaalsContact OG-OE2 3.11Å
264P86.3Confident73.8Confident64 Ų6487.6 Ų87.642%0.41648%0.476SS..PPolyproline II helixtrans-70.7154.5169.7-16.330.3000112.6I266 P282 V283 Y284P264-I266 PolarHBondContact O-N 3.32Å; P264-P282 HydrophobicContact CB-CB 3.99Å; P264-P282 HydrophobicContact CG-CB 3.88Å; P264-V283 CarbonylContact C-O 3.39Å; P264-V283 WeakPolarHBondContact CA-O 3.2Å; P264-Y284 HydrophobicContact CB-CD1 4.45Å; P264-Y284 HydrophobicContact CB-CE1 4.21Å; P264-Y284 HydrophobicContact CG-CE1 3.9Å
265R84Confident71.2Confident82 Ų8288.3 Ų88.331%0.30950%0.502SS..PPolyproline II helixtrans-65.7117.9167.9-93.9-173.7-87.2178.5-7.3110H267 V283 Y284 E285R265-H267 PolarHBondContact O-N 3.44Å; R265-V283 PolarHBondContact N-O 3.42Å; R265-Y284 VanDerWaalsContact CZ-O 3.28Å; R265-Y284 PolarHBondContact NE-O 3.04Å; R265-Y284 PolarHBondContact NH2-O 2.9Å; R265-E285 WeakPolarHBondContact CD-OE1 3.37Å; R265-E285 HydrophobicContact CG-CG 4.04Å; R265-E285 IonicContact CZ-OE2 2.85Å; R265-E285 IonicContact NE-OE1 3.15Å; R265-E285 IonicContact NE-OE2 3.74Å
266I74.2Confident68.3Low126 Ų12689 Ų8965%0.64652%0.52SS*.  trans-72.394.4175.9-52176.3000109.4P264 Y268P264-I266 PolarHBondContact O-N 3.32Å; I266-Y268 HydrophobicContact CB-CD2 4.46Å; I266-Y268 HydrophobicContact CB-CE2 4.19Å; I266-Y268 HydrophobicContact CG2-CD1 4.46Å; I266-Y268 HydrophobicContact CG2-CD2 3.76Å; I266-Y268 HydrophobicContact CG2-CE1 4.24Å; I266-Y268 HydrophobicContact CG2-CE2 3.51Å; I266-Y268 HydrophobicContact CG2-CG 4.24Å; I266-Y268 PolarHBondContact O-N 2.91Å
267H58.1Low65.5Low136 Ų13698.2 Ų98.263%0.6356%0.564SS**  trans-71.892.5165.6-84.2-100.1000109.6R265 S269R265-H267 PolarHBondContact O-N 3.44Å; H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact O-N 3.15Å
268Y46.1Very low62.8Low190 Ų190101.5 Ų101.575%0.74559%0.588SS**  trans-67.588.6163.6-74.4-76.1000109.2I266 T270I266-Y268 HydrophobicContact CB-CD2 4.46Å; I266-Y268 HydrophobicContact CB-CE2 4.19Å; I266-Y268 HydrophobicContact CG2-CD1 4.46Å; I266-Y268 HydrophobicContact CG2-CD2 3.76Å; I266-Y268 HydrophobicContact CG2-CE1 4.24Å; I266-Y268 HydrophobicContact CG2-CE2 3.51Å; I266-Y268 HydrophobicContact CG2-CG 4.24Å; I266-Y268 PolarHBondContact O-N 2.91Å; Y268-T270 PolarHBondContact O-N 2.99Å; Y268-T270 PolarHBondContact O-OG1 2.6Å
269S42.6Very low60.3Low103 Ų103102.1 Ų102.172%0.7261%0.607SS**  trans-6693.7174.7-67.10000110.5H267 N271H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact O-N 3.15Å; S269-N271 PolarHBondContact O-N 3.36Å
270T39.1Very low58.5Low131 Ų131107.2 Ų107.280%0.80463%0.634SS**SBendtrans-7164.7175.1-50.50000111.4Y268Y268-T270 PolarHBondContact O-N 2.99Å; Y268-T270 PolarHBondContact O-OG1 2.6Å
271N39.6Very low57.2Low144 Ų144112 Ų11277%0.7766%0.656SS**  trans-164.281.3164.2-96.3-35.2000108.9S269 T273S269-N271 PolarHBondContact O-N 3.36Å; N271-T273 PolarHBondContact O-N 3.29Å
272G44.4Very low56.5Low86 Ų86114.2 Ų114.289%0.88767%0.67SS**  trans-7878.9178.800000113.1
273T42Very low56.3Low112 Ų112114.8 Ų114.869%0.68767%0.672SS**  trans-140.3128.4165.628.50000111.5N271N271-T273 PolarHBondContact O-N 3.29Å
274N36.8Very low56.4Low159 Ų159109 Ų10985%0.8564%0.644SS**  trans64.398.5176.8-54.3-24.7000115.5A276N274-A276 PolarHBondContact O-N 2.74Å
275G42.3Very low56.8Low94 Ų94107.7 Ų107.797%0.96963%0.632SS**  trans-7187.8168.200000112.2
276A38.4Very low57.3Low88 Ų88105.1 Ų105.173%0.72763%0.627SS**  trans-95.8132.4143.300000106.8N274 S278N274-A276 PolarHBondContact O-N 2.74Å; A276-S278 PolarHBondContact O-N 2.94Å; A276-S278 VanDerWaalsContact O-N 3.08Å
277E39.3Very low58.4Low199 Ų19999.5 Ų99.593%0.9360%0.598SS**  trans-69106.3174-64.7-177.4157.800108.3S279E277-S279 PolarHBondContact O-N 3.37Å
278S39.9Very low60.2Low86 Ų8695.3 Ų95.360%0.60158%0.579SS**  trans-70123.3167.656.40000108.1A276 D280A276-S278 PolarHBondContact O-N 2.94Å; A276-S278 VanDerWaalsContact O-N 3.08Å; S278-D280 WeakPolarHBondContact CB-OD2 3.49Å; S278-D280 PolarHBondContact O-N 3.06Å; S278-D280 PolarHBondContact OG-OD2 3.27Å
279S44.5Very low62.7Low125 Ų12587.6 Ų87.687%0.87455%0.55SS*.  trans-79.949.7-179.864.10000111.1E277 E281E277-S279 PolarHBondContact O-N 3.37Å; S279-E281 PolarHBondContact O-N 3.09Å
280D58.5Low65.3Low126 Ų12682.9 Ų82.967%0.67452%0.516SS*.  trans-70.3125.5-179.2-64.1-51000109.4S278S278-D280 WeakPolarHBondContact CB-OD2 3.49Å; S278-D280 PolarHBondContact O-N 3.06Å; S278-D280 PolarHBondContact OG-OD2 3.27Å
281E68.3Low68.2Low99 Ų9976.6 Ų76.646%0.46348%0.478SS..  trans-63.5138.2174.1-69.2-162.7129.600109.4R204 S279 V283R204-E281 IonicContact CZ-OE1 3.42Å; R204-E281 IonicContact NH1-OE1 3.25Å; R204-E281 PolarHBondContact NH1-OE1 3.18Å; R204-E281 IonicContact NH2-OE1 3.84Å; R204-E281 PolarHBondContact NH2-OE1 3.45Å; R204-E281 IonicContact NH2-OE2 2.68Å; R204-E281 PolarHBondContact NH2-OE2 3.08Å; R204-E281 VanDerWaalsContact NH2-OE2 3.12Å; S279-E281 PolarHBondContact O-N 3.09Å; E281-V283 PolarHBondContact O-N 2.99Å; E281-V283 VanDerWaalsContact O-N 3.11Å
282P80.1Confident71Confident64 Ų6469.8 Ų69.842%0.41644%0.441SS..  trans-63.1115.5-173.524.2-34.6000111.5P264 Y284P264-P282 HydrophobicContact CB-CB 3.99Å; P264-P282 HydrophobicContact CG-CB 3.88Å; P282-Y284 HydrophobicContact CB-CE1 4.36Å; P282-Y284 HydrophobicContact CB-CE2 4.4Å; P282-Y284 HydrophobicContact CG-CE2 4.22Å; P282-Y284 WeakPolarHBondContact CG-OH 3.18Å; P282-Y284 VanDerWaalsContact O-CD2 3.27Å; P282-Y284 WeakPolarHBondContact O-CD2 3.16Å; P282-Y284 WeakPolarHBondContact O-CE2 3.26Å
283V87.6Confident73.6Confident53 Ų5365.7 Ų65.732%0.32140%0.399SS..  trans-80.1134.2176.6-178.60000110.2P264 R265 E281P264-V283 CarbonylContact C-O 3.39Å; P264-V283 WeakPolarHBondContact CA-O 3.2Å; R265-V283 PolarHBondContact N-O 3.42Å; E281-V283 PolarHBondContact O-N 2.99Å; E281-V283 VanDerWaalsContact O-N 3.11Å
284Y92.4Very high76.3Confident23 Ų2360.3 Ų60.39%0.0937%0.366CS..  trans-108.1172.3-178-61.3-64000111.9D186 N188 L206 P264 R265 P282D186-Y284 PolarHBondContact O-N 3.1Å; N188-Y284 HydrophobicContact CB-CD2 3.87Å; L206-Y284 HydrophobicContact CD1-CE1 3.86Å; L206-Y284 HydrophobicContact CD2-CD2 4.49Å; L206-Y284 HydrophobicContact CD2-CE1 4.48Å; L206-Y284 HydrophobicContact CD2-CE2 3.86Å; P264-Y284 HydrophobicContact CB-CD1 4.45Å; P264-Y284 HydrophobicContact CB-CE1 4.21Å; P264-Y284 HydrophobicContact CG-CE1 3.9Å; R265-Y284 VanDerWaalsContact CZ-O 3.28Å; R265-Y284 PolarHBondContact NE-O 3.04Å; R265-Y284 PolarHBondContact NH2-O 2.9Å; P282-Y284 HydrophobicContact CB-CE1 4.36Å; P282-Y284 HydrophobicContact CB-CE2 4.4Å; P282-Y284 HydrophobicContact CG-CE2 4.22Å; P282-Y284 WeakPolarHBondContact CG-OH 3.18Å; P282-Y284 VanDerWaalsContact O-CD2 3.27Å; P282-Y284 WeakPolarHBondContact O-CD2 3.16Å; P282-Y284 WeakPolarHBondContact O-CE2 3.26Å
285E94.4Very high79.2Confident35 Ų3552.8 Ų52.816%0.16433%0.326CS..PPolyproline II helixtrans-81.6143.4170.5-77.1-71.7-177.600111.1L259 R265 S533L259-E285 HydrophobicContact CD2-CB 3.75Å; L259-E285 HydrophobicContact CD2-CG 4.13Å; R265-E285 WeakPolarHBondContact CD-OE1 3.37Å; R265-E285 HydrophobicContact CG-CG 4.04Å; R265-E285 IonicContact CZ-OE2 2.85Å; R265-E285 IonicContact NE-OE1 3.15Å; R265-E285 IonicContact NE-OE2 3.74Å; E285-S533 PolarHBondContact OE2-OG 3.13Å
286S94.6Very high81.9Confident29 Ų2948.3 Ų48.320%0.20328%0.28CS..PPolyproline II helixtrans-72.9148.3179.8-56.10000111.8
287L97.1Very high84.7Confident8 Ų844.3 Ų44.34%0.04225%0.246CC..PPolyproline II helixtrans-103.9127.1-173.9-61.1179.5000113L190 L191 L212 L259 H291L190-L287 HydrophobicContact CB-CD1 4.44Å; L190-L287 HydrophobicContact CD2-CB 3.97Å; L190-L287 HydrophobicContact CD2-CD1 3.97Å; L191-L287 HydrophobicContact CD1-CD1 3.95Å; L191-L287 HydrophobicContact CD2-CD1 4.45Å; L191-L287 HydrophobicContact CG-CD1 4.03Å; L212-L287 HydrophobicContact CD1-CD1 4.48Å; L259-L287 HydrophobicContact CB-CD2 4.39Å; L259-L287 VanDerWaalsContact O-CD2 3.25Å; L259-L287 WeakPolarHBondContact O-CD2 3.29Å; L287-H291 HydrophobicContact CB-CB 3.93Å; L287-H291 HydrophobicContact CD1-CB 4.4Å; L287-H291 HydrophobicContact CD2-CB 4.4Å; L287-H291 HydrophobicContact CG-CB 4.48Å
288E96.7Very high87.5Confident47 Ų4735.7 Ų35.722%0.2221%0.207CC..PPolyproline II helixtrans-76.1168.1174.6-58.9-178.9165.700113.3L256 L259 F290 H291L256-E288 VanDerWaalsContact CD2-OE2 3.25Å; L256-E288 WeakPolarHBondContact CD2-OE2 3.19Å; L259-E288 HydrophobicContact CD1-CG 3.98Å; E288-F290 PolarHBondContact O-N 2.89Å; E288-F290 VanDerWaalsContact O-N 3.11Å; E288-H291 PolarHBondContact N-ND1 2.87Å; E288-H291 WeakPolarHBondContact O-CB 3.31Å; E288-H291 PolarHBondContact O-N 3.28Å; E288-H291 PolarHBondContact O-ND1 3.09Å
289E97.5Very high90.2Very high29 Ų2931.7 Ų31.714%0.13618%0.179CC..Hα-helixtrans-61-25.8-170.768.1-83.9-165.800114.7H291 V292 F293 P323 F324 Y328 F384E289-H291 VanDerWaalsContact C-N 3.28Å; E289-H291 PolarHBondContact O-N 2.94Å; E289-V292 WeakPolarHBondContact O-CB 3.46Å; E289-V292 PolarHBondContact O-N 3.34Å; E289-F293 PolarHBondContact O-N 3.48Å; E289-P323 HydrophobicContact CG-CB 4.14Å; E289-P323 WeakPolarHBondContact OE2-CG 3.49Å; E289-F324 HydrophobicContact CB-CD1 3.78Å; E289-F324 HydrophobicContact CB-CE1 3.98Å; E289-F324 VanDerWaalsContact N-CE1 3.32Å; E289-Y328 WeakPolarHBondContact O-CE1 3.41Å; E289-F384 HydrophobicContact CG-CE2 4.24Å; E289-F384 HydrophobicContact CG-CZ 4.1Å
290F98.7Very high92.7Very high3 Ų328.6 Ų28.61%0.01315%0.148CC..Hα-helixtrans-65.5-31.5174.1-179.6-114000112.3M216 L225 W229 W253 L256 E288 V292 F293 V294 F384M216-F290 HydrophobicContact CE-CD1 4.36Å; M216-F290 HydrophobicContact CE-CE1 4.18Å; L225-F290 HydrophobicContact CB-CE2 4.41Å; L225-F290 HydrophobicContact CB-CZ 3.94Å; L225-F290 WeakPolarHBondContact O-CE2 3.44Å; L225-F290 WeakPolarHBondContact O-CZ 3.41Å; W229-F290 HydrophobicContact CB-CD2 3.75Å; W229-F290 HydrophobicContact CB-CE1 4.41Å; W229-F290 HydrophobicContact CB-CE2 3.6Å; W229-F290 HydrophobicContact CB-CG 4.22Å; W229-F290 HydrophobicContact CB-CZ 3.94Å; W229-F290 HydrophobicContact CG-CD2 4.37Å; W229-F290 HydrophobicContact CG-CG 4.38Å; W253-F290 AromaticContact CH2-CE1 3.75Å; W253-F290 HydrophobicContact CH2-CE1 3.75Å; W253-F290 AromaticContact CH2-CZ 3.96Å; W253-F290 HydrophobicContact CH2-CZ 3.96Å; W253-F290 HydrophobicContact CZ3-CD1 4.41Å; W253-F290 AromaticContact CZ3-CE1 3.43Å; W253-F290 HydrophobicContact CZ3-CE1 3.43Å; W253-F290 VanDerWaalsContact CZ3-CE1 3.43Å; W253-F290 AromaticContact CZ3-CZ 3.73Å; W253-F290 HydrophobicContact CZ3-CZ 3.73Å; L256-F290 HydrophobicContact CD1-CD1 4.03Å; E288-F290 PolarHBondContact O-N 2.89Å; E288-F290 VanDerWaalsContact O-N 3.11Å; F290-V292 VanDerWaalsContact C-N 3.27Å; F290-V292 PolarHBondContact O-N 3.46Å; F290-F293 HydrophobicContact CD2-CB 4.38Å; F290-F293 HydrophobicContact CD2-CD1 4.21Å; F290-F293 AromaticContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CD1 3.92Å; F290-F293 WeakPolarHBondContact O-CB 3.49Å; F290-F293 PolarHBondContact O-N 3.36Å; F290-F293 VanDerWaalsContact O-N 3.11Å; F290-V294 HydrophobicContact CD1-CG2 4.13Å; F290-V294 HydrophobicContact CE1-CG2 3.69Å; F290-V294 HydrophobicContact CE2-CG2 4.24Å; F290-V294 HydrophobicContact CZ-CG2 3.78Å; F290-V294 WeakPolarHBondContact O-CG2 3.24Å; F290-V294 PolarHBondContact O-N 2.92Å; F290-F384 HydrophobicContact CB-CE1 4.46Å; F290-F384 HydrophobicContact CB-CE2 4.19Å; F290-F384 HydrophobicContact CB-CZ 3.81Å; F290-F384 HydrophobicContact CD2-CD1 4.17Å; F290-F384 HydrophobicContact CD2-CD2 4.31Å; F290-F384 AromaticContact CD2-CE1 3.97Å; F290-F384 HydrophobicContact CD2-CE1 3.97Å; F290-F384 HydrophobicContact CD2-CE2 4.11Å; F290-F384 HydrophobicContact CD2-CG 4.34Å; F290-F384 AromaticContact CD2-CZ 3.93Å; F290-F384 HydrophobicContact CD2-CZ 3.93Å; F290-F384 HydrophobicContact CG-CZ 4.36Å
291H98.8Very high94.5Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-68.3-28.2175.1-50.993.9000111.7L190 L212 L256 L287 E288 E289 F293 V294 L295L190-H291 HydrophobicContact CD2-CB 4.45Å; L212-H291 HydrophobicContact CD1-CB 4.26Å; L212-H291 HydrophobicContact CD2-CB 4.25Å; L256-H291 VanDerWaalsContact CD2-CE1 3.46Å; L256-H291 WeakPolarHBondContact CD2-CE1 3.35Å; L256-H291 PolarHBondContact O-NE2 3.32Å; L287-H291 HydrophobicContact CB-CB 3.93Å; L287-H291 HydrophobicContact CD1-CB 4.4Å; L287-H291 HydrophobicContact CD2-CB 4.4Å; L287-H291 HydrophobicContact CG-CB 4.48Å; E288-H291 PolarHBondContact N-ND1 2.87Å; E288-H291 WeakPolarHBondContact O-CB 3.31Å; E288-H291 PolarHBondContact O-N 3.28Å; E288-H291 PolarHBondContact O-ND1 3.09Å; E289-H291 VanDerWaalsContact C-N 3.28Å; E289-H291 PolarHBondContact O-N 2.94Å; H291-F293 VanDerWaalsContact C-N 3.34Å; H291-V294 PolarHBondContact O-N 3.48Å; H291-L295 WeakPolarHBondContact O-CB 3.26Å; H291-L295 PolarHBondContact O-N 3.13Å
292V98.8Very high95.9Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-66.3-39.1171.1-169.50000110.5L190 E289 F290 L295 A296 I303 V305 F324 Y328 F352L190-V292 HydrophobicContact CD1-CG2 4Å; L190-V292 HydrophobicContact CD2-CG2 3.82Å; E289-V292 WeakPolarHBondContact O-CB 3.46Å; E289-V292 PolarHBondContact O-N 3.34Å; F290-V292 VanDerWaalsContact C-N 3.27Å; F290-V292 PolarHBondContact O-N 3.46Å; V292-L295 PolarHBondContact O-N 2.96Å; V292-A296 PolarHBondContact O-N 2.6Å; V292-A296 VanDerWaalsContact O-N 3.07Å; V292-I303 HydrophobicContact CG1-CB 4.39Å; V292-I303 HydrophobicContact CG1-CD1 4.25Å; V292-I303 HydrophobicContact CG1-CG2 4.08Å; V292-V305 HydrophobicContact CG1-CG2 4.03Å; V292-F324 HydrophobicContact CG2-CD1 4.32Å; V292-Y328 HydrophobicContact CB-CD1 4.12Å; V292-Y328 HydrophobicContact CB-CD2 4.41Å; V292-Y328 HydrophobicContact CB-CE1 3.94Å; V292-Y328 HydrophobicContact CB-CE2 4.26Å; V292-Y328 HydrophobicContact CB-CG 4.35Å; V292-Y328 HydrophobicContact CG1-CD1 4.14Å; V292-Y328 HydrophobicContact CG1-CD2 3.64Å; V292-Y328 HydrophobicContact CG1-CE1 4.22Å; V292-Y328 HydrophobicContact CG1-CE2 3.75Å; V292-Y328 HydrophobicContact CG1-CG 3.85Å; V292-F352 HydrophobicContact CG2-CZ 4.08Å
293F98.8Very high96.8Very high0 Ų014.8 Ų14.80%07%0.074CC..Hα-helixtrans-65.1-46.4174.2-172-112.5000112.3L225 R228 E289 F290 H291 L295 A296 H297 Y328 L329 L331 F384L225-F293 HydrophobicContact CD2-CD1 4.07Å; L225-F293 HydrophobicContact CD2-CE1 3.68Å; R228-F293 HydrophobicContact CB-CE1 4.44Å; E289-F293 PolarHBondContact O-N 3.48Å; F290-F293 HydrophobicContact CD2-CB 4.38Å; F290-F293 HydrophobicContact CD2-CD1 4.21Å; F290-F293 AromaticContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CD1 3.92Å; F290-F293 WeakPolarHBondContact O-CB 3.49Å; F290-F293 PolarHBondContact O-N 3.36Å; F290-F293 VanDerWaalsContact O-N 3.11Å; H291-F293 VanDerWaalsContact C-N 3.34Å; F293-L295 VanDerWaalsContact C-N 3.33Å; F293-L295 PolarHBondContact O-N 2.71Å; F293-A296 WeakPolarHBondContact O-CB 3.36Å; F293-A296 PolarHBondContact O-N 2.97Å; F293-H297 AromaticContact CD1-CE1 3.94Å; F293-H297 AromaticContact CE1-CE1 3.53Å; F293-H297 AromaticContact CE2-CE1 3.79Å; F293-H297 AromaticContact CZ-CE1 3.45Å; F293-H297 VanDerWaalsContact CZ-CE1 3.45Å; F293-H297 WeakPolarHBondContact CZ-CE1 3.27Å; F293-H297 PolarHBondContact O-N 3.12Å; F293-H297 PolarHBondContact O-ND1 3.47Å; F293-Y328 HydrophobicContact CB-CD1 3.88Å; F293-Y328 HydrophobicContact CD2-CD1 4.3Å; F293-L329 WeakPolarHBondContact CE2-O 3.36Å; F293-L331 HydrophobicContact CE2-CD1 4.24Å; F293-L331 HydrophobicContact CE2-CG 4.45Å; F293-L331 HydrophobicContact CZ-CB 4.45Å; F293-L331 HydrophobicContact CZ-CD1 4.27Å; F293-F384 HydrophobicContact CB-CD2 3.52Å; F293-F384 HydrophobicContact CB-CE2 4.01Å; F293-F384 HydrophobicContact CB-CG 4.37Å; F293-F384 HydrophobicContact CD1-CB 3.76Å; F293-F384 HydrophobicContact CD1-CD2 4.05Å; F293-F384 HydrophobicContact CD1-CG 4.05Å; F293-F384 HydrophobicContact CD2-CB 3.82Å; F293-F384 AromaticContact CD2-CD2 3.95Å; F293-F384 HydrophobicContact CD2-CD2 3.95Å; F293-F384 HydrophobicContact CD2-CG 4.33Å; F293-F384 HydrophobicContact CE1-CB 3.65Å; F293-F384 HydrophobicContact CE1-CG 4.4Å; F293-F384 HydrophobicContact CE2-CB 3.7Å; F293-F384 HydrophobicContact CG-CB 3.84Å; F293-F384 AromaticContact CG-CD2 3.58Å; F293-F384 HydrophobicContact CG-CD2 3.58Å; F293-F384 HydrophobicContact CG-CG 4Å; F293-F384 HydrophobicContact CZ-CB 3.61Å
294V98.8Very high97.4Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-60.5-43.1174.1175.30000110.8L212 L215 M216 F290 H291 A296 H297 V298L212-V294 HydrophobicContact CD2-CG1 4.1Å; L212-V294 HydrophobicContact CG-CB 4.37Å; L212-V294 HydrophobicContact CG-CG1 3.85Å; L215-V294 HydrophobicContact CB-CG1 4.3Å; L215-V294 HydrophobicContact CD2-CG1 3.94Å; L215-V294 HydrophobicContact CG-CG1 4.25Å; M216-V294 HydrophobicContact CG-CB 4.33Å; M216-V294 HydrophobicContact CG-CG1 3.73Å; M216-V294 HydrophobicContact CG-CG2 3.76Å; M216-V294 HydrophobicContact SD-CB 4.4Å; M216-V294 HydrophobicContact SD-CG1 4.14Å; M216-V294 HydrophobicContact SD-CG2 3.98Å; F290-V294 HydrophobicContact CD1-CG2 4.13Å; F290-V294 HydrophobicContact CE1-CG2 3.69Å; F290-V294 HydrophobicContact CE2-CG2 4.24Å; F290-V294 HydrophobicContact CZ-CG2 3.78Å; F290-V294 WeakPolarHBondContact O-CG2 3.24Å; F290-V294 PolarHBondContact O-N 2.92Å; H291-V294 PolarHBondContact O-N 3.48Å; V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 PolarHBondContact O-N 2.91Å; V294-H297 WeakPolarHBondContact O-CA 3.48Å; V294-H297 WeakPolarHBondContact O-CB 3.35Å; V294-H297 PolarHBondContact O-N 2.76Å; V294-V298 HydrophobicContact CG1-CG2 4.42Å; V294-V298 PolarHBondContact O-N 3.35Å
295L98.6Very high97.7Very high0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-59.4-38.9177.6-176.862.1000112.2L190 L191 A194 L212 H291 V292 F293 H297 V298 L299 I303L190-L295 HydrophobicContact CD1-CD2 4.22Å; L190-L295 HydrophobicContact CG-CD2 4.13Å; L191-L295 HydrophobicContact CD2-CD1 3.73Å; L191-L295 HydrophobicContact CD2-CD2 3.61Å; L191-L295 HydrophobicContact CD2-CG 4.23Å; A194-L295 HydrophobicContact CB-CD2 3.85Å; L212-L295 HydrophobicContact CD1-CB 4.07Å; L212-L295 HydrophobicContact CD1-CD1 4.4Å; H291-L295 WeakPolarHBondContact O-CB 3.26Å; H291-L295 PolarHBondContact O-N 3.13Å; V292-L295 PolarHBondContact O-N 2.96Å; F293-L295 VanDerWaalsContact C-N 3.33Å; F293-L295 PolarHBondContact O-N 2.71Å; L295-H297 PolarHBondContact O-N 3Å; L295-V298 PolarHBondContact O-N 3.1Å; L295-L299 HydrophobicContact CD1-CD1 4.06Å; L295-L299 HydrophobicContact CD1-CD2 4.35Å; L295-L299 HydrophobicContact CD1-CG 3.97Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 HydrophobicContact CG-CG 4.24Å; L295-L299 WeakPolarHBondContact O-CB 3.46Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.94Å; L295-I303 HydrophobicContact CB-CD1 4.08Å; L295-I303 HydrophobicContact CD2-CD1 3.91Å; L295-I303 HydrophobicContact CG-CD1 3.85Å
296A98.5Very high97.9Very high0 Ų010.3 Ų10.30%05%0.051CC..Hα-helixtrans-57.7-36.5174.500000112.2V292 F293 V294 R300 R301 I303V292-A296 PolarHBondContact O-N 2.6Å; V292-A296 VanDerWaalsContact O-N 3.07Å; F293-A296 WeakPolarHBondContact O-CB 3.36Å; F293-A296 PolarHBondContact O-N 2.97Å; V294-A296 VanDerWaalsContact C-N 3.3Å; V294-A296 PolarHBondContact O-N 2.91Å; A296-R300 WeakPolarHBondContact O-CA 3.35Å; A296-R300 PolarHBondContact O-N 2.88Å; A296-R301 WeakPolarHBondContact CA-O 3.33Å; A296-R301 PolarHBondContact O-N 2.83Å; A296-I303 HydrophobicContact CB-CD1 4.13Å; A296-I303 HydrophobicContact CB-CG1 4Å
297H97.9Very high98Very high4 Ų49.3 Ų9.32%0.0195%0.045CC..Hα-helixtrans-72.5-45.5175.7-64.372.4000111.9L215 E221 F293 V294 L295 L299 R300 L329 P330 L331 E332 V333L215-H297 HydrophobicContact CD2-CB 3.72Å; E221-H297 IonicContact OE2-CD2 3.19Å; E221-H297 PolarHBondContact OE2-CD2 3.17Å; E221-H297 IonicContact OE2-CG 3.4Å; F293-H297 AromaticContact CD1-CE1 3.94Å; F293-H297 AromaticContact CE1-CE1 3.53Å; F293-H297 AromaticContact CE2-CE1 3.79Å; F293-H297 AromaticContact CZ-CE1 3.45Å; F293-H297 VanDerWaalsContact CZ-CE1 3.45Å; F293-H297 WeakPolarHBondContact CZ-CE1 3.27Å; F293-H297 PolarHBondContact O-N 3.12Å; F293-H297 PolarHBondContact O-ND1 3.47Å; V294-H297 WeakPolarHBondContact O-CA 3.48Å; V294-H297 WeakPolarHBondContact O-CB 3.35Å; V294-H297 PolarHBondContact O-N 2.76Å; L295-H297 PolarHBondContact O-N 3Å; H297-L299 PolarHBondContact O-N 2.82Å; H297-R300 WeakPolarHBondContact O-CG 3.34Å; H297-R300 PolarHBondContact O-N 2.94Å; H297-L329 PolarHBondContact CE1-O 3.08Å; H297-P330 VanDerWaalsContact NE2-C 3.32Å; H297-L331 PolarHBondContact NE2-N 2.97Å; H297-E332 PolarHBondContact NE2-N 2.95Å; H297-E332 VanDerWaalsContact NE2-N 3.14Å; H297-V333 HydrophobicContact CB-CG2 4.39Å
298V96.8Very high97.9Very high19 Ų199.8 Ų9.812%0.1155%0.048CC..Hα-helixtrans-53.2-43.2173.3174.30000111.4L123 L212 L215 V294 L295 R300L123-V298 HydrophobicContact CD1-CG1 3.98Å; L212-V298 HydrophobicContact CB-CG2 4.39Å; L215-V298 HydrophobicContact CB-CG2 4.23Å; L215-V298 HydrophobicContact CD2-CG2 3.65Å; V294-V298 HydrophobicContact CG1-CG2 4.42Å; V294-V298 PolarHBondContact O-N 3.35Å; L295-V298 PolarHBondContact O-N 3.1Å; V298-R300 VanDerWaalsContact C-N 3.35Å
299L96.3Very high97.7Very high1 Ų111 Ų111%0.0056%0.058CC..THydrogen-bonded Turntrans-83.6-10.2-179.1-59.2-178.1000114T125 A194 M198 L208 L295 H297 R301 I303 L343T125-L299 HydrophobicContact CG2-CB 4.39Å; T125-L299 HydrophobicContact CG2-CD2 3.82Å; T125-L299 PolarHBondContact OG1-O 3.1Å; T125-L299 VanDerWaalsContact OG1-O 3.05Å; A194-L299 HydrophobicContact CB-CD1 4.5Å; M198-L299 HydrophobicContact CE-CD1 3.72Å; M198-L299 HydrophobicContact CE-CD2 3.47Å; M198-L299 VanDerWaalsContact CE-CD2 3.47Å; M198-L299 HydrophobicContact CE-CG 4.24Å; M198-L299 HydrophobicContact SD-CD1 3.99Å; M198-L299 HydrophobicContact SD-CD2 3.9Å; M198-L299 HydrophobicContact SD-CG 4.44Å; L208-L299 HydrophobicContact CD2-CD2 3.73Å; L295-L299 HydrophobicContact CD1-CD1 4.06Å; L295-L299 HydrophobicContact CD1-CD2 4.35Å; L295-L299 HydrophobicContact CD1-CG 3.97Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 HydrophobicContact CG-CG 4.24Å; L295-L299 WeakPolarHBondContact O-CB 3.46Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.94Å; H297-L299 PolarHBondContact O-N 2.82Å; L299-R301 HydrophobicContact CB-CB 3.98Å; L299-R301 WeakPolarHBondContact O-CB 3.3Å; L299-R301 PolarHBondContact O-N 3.03Å; L299-I303 HydrophobicContact CD1-CD1 4.41Å; L299-L343 HydrophobicContact CD1-CD2 3.82Å
300R96.7Very high97.5Very high60 Ų6013.2 Ų13.223%0.2267%0.07CC..THydrogen-bonded Turntrans45.437-165.6-59.6-171.5171.1156.16112.7L122 A296 H297 V298 V333 C338 H339L122-R300 VanDerWaalsContact CD1-NH1 3.32Å; A296-R300 WeakPolarHBondContact O-CA 3.35Å; A296-R300 PolarHBondContact O-N 2.88Å; H297-R300 WeakPolarHBondContact O-CG 3.34Å; H297-R300 PolarHBondContact O-N 2.94Å; V298-R300 VanDerWaalsContact C-N 3.35Å; R300-V333 HydrophobicContact CG-CG1 4.03Å; R300-V333 HydrophobicContact CG-CG2 4.32Å; R300-C338 CarbonylContact O-C 3.56Å; R300-C338 WeakPolarHBondContact O-CA 3.39Å; R300-C338 VanDerWaalsContact O-CB 3.32Å; R300-C338 WeakPolarHBondContact O-CB 3.36Å; R300-H339 PolarHBondContact O-N 3.31Å
301R97.4Very high97Very high0 Ų015.7 Ų15.70%08%0.082CC..SBendtrans-141.1126.2-169.4-174.9166.8178.9-171.3-12.2109.4P126 C128 T129 A296 L299 H339 S341 P342P126-R301 PolarHBondContact O-NH1 2.86Å; C128-R301 PolarHBondContact O-NH1 3.2Å; T129-R301 PolarHBondContact OG1-NH2 2.86Å; A296-R301 WeakPolarHBondContact CA-O 3.33Å; A296-R301 PolarHBondContact O-N 2.83Å; L299-R301 HydrophobicContact CB-CB 3.98Å; L299-R301 WeakPolarHBondContact O-CB 3.3Å; L299-R301 PolarHBondContact O-N 3.03Å; R301-H339 HydrophobicContact CB-CB 4.11Å; R301-H339 HydrophobicContact CG-CB 3.93Å; R301-S341 WeakPolarHBondContact CG-O 3.26Å; R301-S341 PolarHBondContact NE-O 3.04Å; R301-P342 PolarHBondContact NH2-O 2.8Å
302P98.5Very high96.4Very high0 Ų022.8 Ų22.80%011%0.109CC..  trans-52.5145.2172.1-30.638.9000112.6Y328 L329 H339 P342 L343 L422P302-Y328 CarbonylContact C-O 3.54Å; P302-Y328 VanDerWaalsContact CA-O 3.29Å; P302-Y328 WeakPolarHBondContact CA-O 3.47Å; P302-L329 HydrophobicContact CB-CD2 3.79Å; P302-L329 HydrophobicContact CG-CD2 3.92Å; P302-H339 WeakPolarHBondContact CD-O 3.34Å; P302-P342 HydrophobicContact CB-CB 4.17Å; P302-P342 CarbonylContact O-C 3.53Å; P302-P342 VanDerWaalsContact O-CA 3.23Å; P302-P342 WeakPolarHBondContact O-CA 3.41Å; P302-L343 PolarHBondContact O-N 2.75Å; P302-L422 HydrophobicContact CB-CD2 3.58Å; P302-L422 HydrophobicContact CB-CG 4.46Å; P302-L422 HydrophobicContact CG-CD2 3.78Å; P302-L422 HydrophobicContact CG-CG 4.45Å
303I98.8Very high95.9Very high0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-119.7132.3174.1-52.3-178.6000108.4V292 L295 A296 L299 V305 Y328 L343 L345V292-I303 HydrophobicContact CG1-CB 4.39Å; V292-I303 HydrophobicContact CG1-CD1 4.25Å; V292-I303 HydrophobicContact CG1-CG2 4.08Å; L295-I303 HydrophobicContact CB-CD1 4.08Å; L295-I303 HydrophobicContact CD2-CD1 3.91Å; L295-I303 HydrophobicContact CG-CD1 3.85Å; A296-I303 HydrophobicContact CB-CD1 4.13Å; A296-I303 HydrophobicContact CB-CG1 4Å; L299-I303 HydrophobicContact CD1-CD1 4.41Å; I303-V305 HydrophobicContact CG2-CG2 4.08Å; I303-Y328 PolarHBondContact N-O 3.35Å; I303-Y328 PolarHBondContact O-N 3.02Å; I303-L343 CarbonylContact C-O 3.55Å; I303-L343 WeakPolarHBondContact CA-O 3.21Å; I303-L343 HydrophobicContact CD1-CD2 4.33Å; I303-L343 HydrophobicContact CG1-CB 4.41Å; I303-L343 HydrophobicContact CG1-CD2 4.34Å; I303-L345 HydrophobicContact CG2-CD1 3.78Å; I303-L345 HydrophobicContact CG2-CG 4.01Å
304V98.8Very high95.4Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-113.2126.1170.6-179.20000108G326 I327 P342 L343 V344 L345 I370 L372 L380V304-G326 WeakPolarHBondContact CA-O 3.32Å; V304-I327 HydrophobicContact CG2-CG1 4.44Å; V304-I327 HydrophobicContact CG2-CG2 4.48Å; V304-P342 HydrophobicContact CG2-CB 3.88Å; V304-P342 HydrophobicContact CG2-CG 4.23Å; V304-L343 PolarHBondContact N-O 3.15Å; V304-V344 WeakPolarHBondContact O-CA 3.31Å; V304-L345 PolarHBondContact O-N 2.97Å; V304-I370 HydrophobicContact CB-CG1 4.48Å; V304-I370 HydrophobicContact CG1-CG1 3.86Å; V304-L372 HydrophobicContact CG2-CD2 4.32Å; V304-L380 HydrophobicContact CG1-CD1 4.42Å
305V98.8Very high94.8Very high3 Ų334.8 Ų34.82%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-113.6119.9-179.1-178.10000109.6V292 I303 F324 G326 Y328 L345 F352V292-V305 HydrophobicContact CG1-CG2 4.03Å; I303-V305 HydrophobicContact CG2-CG2 4.08Å; V305-F324 VanDerWaalsContact CB-O 3.24Å; V305-F324 WeakPolarHBondContact CB-O 3.24Å; V305-F324 HydrophobicContact CG1-CB 4.28Å; V305-F324 WeakPolarHBondContact CG1-O 3.3Å; V305-G326 PolarHBondContact N-O 3.44Å; V305-G326 PolarHBondContact O-N 2.98Å; V305-Y328 HydrophobicContact CB-CE2 4.19Å; V305-Y328 HydrophobicContact CG2-CD2 4.03Å; V305-Y328 HydrophobicContact CG2-CE2 3.63Å; V305-L345 WeakPolarHBondContact CA-O 3.39Å; V305-L345 HydrophobicContact CG2-CB 4.37Å; V305-F352 HydrophobicContact CG1-CE1 4.2Å
306V98.6Very high94.1Very high13 Ų1336.3 Ų36.38%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-91.1122.3173.4-1750000109.1R164 L165 V344 L345 A346 Y347 L355 I370R164-V306 HydrophobicContact CB-CG1 4.13Å; R164-V306 WeakPolarHBondContact O-CG1 3.36Å; L165-V306 HydrophobicContact CB-CG1 4.3Å; V306-V344 HydrophobicContact CG2-CG1 4.42Å; V306-L345 PolarHBondContact N-O 2.87Å; V306-A346 CarbonylContact O-C 3.52Å; V306-A346 VanDerWaalsContact O-CA 3.3Å; V306-A346 WeakPolarHBondContact O-CA 3.48Å; V306-Y347 PolarHBondContact O-N 2.83Å; V306-L355 HydrophobicContact CB-CD1 3.91Å; V306-L355 HydrophobicContact CG2-CD1 3.63Å; V306-I370 HydrophobicContact CG2-CD1 3.9Å
307A97.6Very high93.7Very high9 Ų943.2 Ų43.27%0.07425%0.245CC..  trans-148164.8177.900000109.7R164 I322 Y347R164-A307 WeakPolarHBondContact CG-O 3.42Å; A307-I322 HydrophobicContact CB-CG2 4.17Å; A307-Y347 WeakPolarHBondContact CA-O 3.37Å; A307-Y347 HydrophobicContact CB-CD1 4.22Å
308D94.9Very high93.3Very high18 Ų1846.1 Ų46.110%0.09627%0.27CS..  trans-73.5161.6157.4-162.116.7000110.3A162 R164 R312 I322A162-D308 HydrophobicContact CB-CB 4.36Å; R164-D308 HydrophobicContact CG-CB 4.28Å; R164-D308 IonicContact CZ-OD1 2.68Å; R164-D308 IonicContact NE-OD1 3.4Å; R164-D308 PolarHBondContact NE-OD1 3.2Å; R164-D308 IonicContact NH2-OD1 3.45Å; R164-D308 PolarHBondContact NH2-OD1 2.86Å; D308-R312 IonicContact OD2-NE 3.85Å; D308-R312 IonicContact OD2-NH2 2.96Å; D308-I322 HydrophobicContact CB-CD1 4.44Å; D308-I322 WeakPolarHBondContact O-CB 3.44Å; D308-I322 VanDerWaalsContact O-CD1 3.31Å; D308-I322 WeakPolarHBondContact O-CD1 3.4Å
309T92.8Very high93Very high72 Ų7251.6 Ų51.644%0.44229%0.293SS..SBendtrans-85.3-19.9-175.4460000113.7R164 P321 I322R164-T309 PolarHBondContact NH2-OG1 3.11Å; R164-T309 VanDerWaalsContact NH2-OG1 3.1Å; T309-P321 WeakPolarHBondContact O-CA 3.33Å; T309-I322 PolarHBondContact O-N 2.98Å
310M91.9Very high92.7Very high76 Ų7652.6 Ų52.637%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-140.3130.7-173.2-67.2-70.617500110.8A318 A320 P321M310-A318 HydrophobicContact CB-CB 4.17Å; M310-A318 HydrophobicContact CG-CB 4.19Å; M310-A318 HydrophobicContact SD-CB 4.49Å; M310-A320 CarbonylContact C-O 3.56Å; M310-A320 WeakPolarHBondContact CA-O 3.36Å; M310-P321 HydrophobicContact CE-CB 4.46Å; M310-P321 HydrophobicContact SD-CB 4.15Å
311L89.3Confident92.4Very high54 Ų5454 Ų5428%0.28332%0.318SS..EExtended strand (participates in β ladder)trans-63139.5160-67.7175000108.6F319 A320 I322 L531L311-F319 PolarHBondContact O-N 3.43Å; L311-A320 HydrophobicContact CD1-CB 4.48Å; L311-A320 PolarHBondContact N-O 2.8Å; L311-I322 HydrophobicContact CD2-CD1 3.98Å; L311-I322 HydrophobicContact CD2-CG1 3.92Å; L311-I322 HydrophobicContact CG-CD1 4.23Å; L311-I322 HydrophobicContact CG-CG1 3.76Å; L311-L531 HydrophobicContact CD1-CD2 4.37Å
312R86.8Confident92.3Very high149 Ų14954.9 Ų54.956%0.56232%0.323SS*.EExtended strand (participates in β ladder)trans-113.8145.4179.9-65.6174.1-173.8-84.6-2.2111.1D308 G316 E317D308-R312 IonicContact OD2-NE 3.85Å; D308-R312 IonicContact OD2-NH2 2.96Å; R312-G316 PolarHBondContact NH1-O 3.18Å; R312-G316 VanDerWaalsContact NH1-O 3.12Å; R312-E317 CarbonylContact C-O 3.47Å; R312-E317 VanDerWaalsContact CA-O 3.25Å; R312-E317 WeakPolarHBondContact CA-O 3.48Å
313D87.5Confident92.1Very high73 Ų7357.1 Ų57.139%0.3934%0.337SS..  trans-79.4-179.8175.9103.9-56.5000111.8G315 G316 E317D313-G315 PolarHBondContact O-N 3.04Å; D313-G315 VanDerWaalsContact OD1-CA 3.26Å; D313-G315 WeakPolarHBondContact OD1-CA 3.42Å; D313-G315 PolarHBondContact OD1-N 2.9Å; D313-G315 PolarHBondContact OD2-N 3.38Å; D313-G316 PolarHBondContact O-N 3.22Å; D313-G316 PolarHBondContact OD1-N 3.05Å; D313-G316 VanDerWaalsContact OD1-N 3.09Å; D313-E317 PolarHBondContact N-O 2.97Å; D313-E317 PolarHBondContact OD1-N 3.19Å
314S87.3Confident92Very high117 Ų11757.1 Ų57.182%0.81834%0.337SS*.THydrogen-bonded Turntrans-63.5-13.8176.362.20000115.7
315G86.6Confident92Very high62 Ų6258 Ų5864%0.63935%0.346SS*.THydrogen-bonded Turntrans-93.3-11170.500000114.1D313D313-G315 PolarHBondContact O-N 3.04Å; D313-G315 VanDerWaalsContact OD1-CA 3.26Å; D313-G315 WeakPolarHBondContact OD1-CA 3.42Å; D313-G315 PolarHBondContact OD1-N 2.9Å; D313-G315 PolarHBondContact OD2-N 3.38Å
316G84.1Confident92Very high33 Ų3357.9 Ų57.934%0.3435%0.345SS..SBendtrans94.5-2.2-174.900000114.6R312 D313R312-G316 PolarHBondContact NH1-O 3.18Å; R312-G316 VanDerWaalsContact NH1-O 3.12Å; D313-G316 PolarHBondContact O-N 3.22Å; D313-G316 PolarHBondContact OD1-N 3.05Å; D313-G316 VanDerWaalsContact OD1-N 3.09Å
317E89.8Confident92Very high144 Ų14457.3 Ų57.367%0.67334%0.342SS*.  trans-72.9147.8-179.1-67.4-59.514900111.5R312 D313 F319R312-E317 CarbonylContact C-O 3.47Å; R312-E317 VanDerWaalsContact CA-O 3.25Å; R312-E317 WeakPolarHBondContact CA-O 3.48Å; D313-E317 PolarHBondContact N-O 2.97Å; D313-E317 PolarHBondContact OD1-N 3.19Å; E317-F319 PolarHBondContact O-N 3.45Å
318A90.4Very high92Very high65 Ų6556.9 Ų56.954%0.53734%0.338SS..EExtended strand (participates in β ladder)trans-70.4121.6-179.400000111.2M310M310-A318 HydrophobicContact CB-CB 4.17Å; M310-A318 HydrophobicContact CG-CB 4.19Å; M310-A318 HydrophobicContact SD-CB 4.49Å
319F90.3Very high92.2Very high135 Ų13556 Ų5659%0.59233%0.334SS*.EExtended strand (participates in β ladder)trans-101.3-47.9-175.3174.2-107.8000113.1L311 E317L311-F319 PolarHBondContact O-N 3.43Å; E317-F319 PolarHBondContact O-N 3.45Å
320A89.4Confident92.5Very high22 Ų2252.6 Ų52.618%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-158.2150.4-178.200000111M310 L311M310-A320 CarbonylContact C-O 3.56Å; M310-A320 WeakPolarHBondContact CA-O 3.36Å; L311-A320 HydrophobicContact CD1-CB 4.48Å; L311-A320 PolarHBondContact N-O 2.8Å
321P91.9Very high92.8Very high89 Ų8950 Ų5058%0.57830%0.3SS*.EExtended strand (participates in β ladder)trans-68149.1176.729.2-35.3000112.3T309 M310T309-P321 WeakPolarHBondContact O-CA 3.33Å; M310-P321 HydrophobicContact CE-CB 4.46Å; M310-P321 HydrophobicContact SD-CB 4.15Å
322I93.8Very high93.2Very high19 Ų1950 Ų5010%0.09730%0.299CS..  trans-97.1115.3171.8-66.1166.5000108.1A307 D308 T309 L311 F324 Y347A307-I322 HydrophobicContact CB-CG2 4.17Å; D308-I322 HydrophobicContact CB-CD1 4.44Å; D308-I322 WeakPolarHBondContact O-CB 3.44Å; D308-I322 VanDerWaalsContact O-CD1 3.31Å; D308-I322 WeakPolarHBondContact O-CD1 3.4Å; T309-I322 PolarHBondContact O-N 2.98Å; L311-I322 HydrophobicContact CD2-CD1 3.98Å; L311-I322 HydrophobicContact CD2-CG1 3.92Å; L311-I322 HydrophobicContact CG-CD1 4.23Å; L311-I322 HydrophobicContact CG-CG1 3.76Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 HydrophobicContact CG2-CB 4.36Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 PolarHBondContact O-N 3.12Å; I322-Y347 HydrophobicContact CG2-CD1 3.81Å; I322-Y347 HydrophobicContact CG2-CE1 3.68Å
323P94.6Very high93.7Very high46 Ų4643 Ų4330%0.29927%0.272SS..THydrogen-bonded Turntrans-79.4-13.5-172.832.2-36.6000114E289 H383E289-P323 HydrophobicContact CG-CB 4.14Å; E289-P323 WeakPolarHBondContact OE2-CG 3.49Å; P323-H383 PolarHBondContact O-CE1 3.32Å; P323-H383 PolarHBondContact O-NE2 3.39Å
324F97.6Very high94.1Very high0 Ų043.1 Ų43.10%028%0.278CS..THydrogen-bonded Turntrans-77.2-22.9-171-64.5-78.4000115.3E289 V292 V305 I322 G326 Y328 Y347 F352 F534E289-F324 HydrophobicContact CB-CD1 3.78Å; E289-F324 HydrophobicContact CB-CE1 3.98Å; E289-F324 VanDerWaalsContact N-CE1 3.32Å; V292-F324 HydrophobicContact CG2-CD1 4.32Å; V305-F324 VanDerWaalsContact CB-O 3.24Å; V305-F324 WeakPolarHBondContact CB-O 3.24Å; V305-F324 HydrophobicContact CG1-CB 4.28Å; V305-F324 WeakPolarHBondContact CG1-O 3.3Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 HydrophobicContact CG2-CB 4.36Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 PolarHBondContact O-N 3.12Å; F324-G326 PolarHBondContact O-N 3.01Å; F324-Y328 PolarHBondContact O-OH 2.93Å; F324-Y328 VanDerWaalsContact O-OH 3.08Å; F324-Y347 HydrophobicContact CB-CD1 4.12Å; F324-Y347 HydrophobicContact CB-CD2 4.5Å; F324-Y347 HydrophobicContact CB-CG 4.06Å; F324-Y347 AromaticContact CD2-CD1 3.88Å; F324-Y347 HydrophobicContact CD2-CD1 3.88Å; F324-Y347 HydrophobicContact CD2-CD2 4Å; F324-Y347 AromaticContact CD2-CE1 3.53Å; F324-Y347 HydrophobicContact CD2-CE1 3.53Å; F324-Y347 AromaticContact CD2-CE2 3.64Å; F324-Y347 HydrophobicContact CD2-CE2 3.64Å; F324-Y347 HydrophobicContact CD2-CG 4.11Å; F324-Y347 AromaticContact CD2-CZ 3.38Å; F324-Y347 HydrophobicContact CE2-CD2 4.37Å; F324-Y347 HydrophobicContact CE2-CE1 4.07Å; F324-Y347 AromaticContact CE2-CE2 3.63Å; F324-Y347 HydrophobicContact CE2-CE2 3.63Å; F324-Y347 AromaticContact CE2-CZ 3.45Å; F324-Y347 VanDerWaalsContact CE2-CZ 3.45Å; F324-Y347 WeakPolarHBondContact CE2-OH 3.31Å; F324-Y347 HydrophobicContact CG-CD1 4.28Å; F324-Y347 HydrophobicContact CG-CD2 4.16Å; F324-Y347 HydrophobicContact CG-CE1 4.36Å; F324-Y347 HydrophobicContact CG-CE2 4.22Å; F324-Y347 HydrophobicContact CG-CG 4.18Å; F324-Y347 HydrophobicContact CZ-CE2 4.19Å; F324-F352 HydrophobicContact CD1-CE1 4.4Å; F324-F352 HydrophobicContact CD1-CE2 4.35Å; F324-F352 AromaticContact CD1-CZ 3.55Å; F324-F352 HydrophobicContact CD1-CZ 3.55Å; F324-F352 HydrophobicContact CE1-CE2 4.13Å; F324-F352 AromaticContact CE1-CZ 3.75Å; F324-F352 HydrophobicContact CE1-CZ 3.75Å; F324-F352 HydrophobicContact CG-CZ 4.17Å; F324-F534 AromaticContact CE2-CE1 3.72Å; F324-F534 HydrophobicContact CE2-CE1 3.72Å; F324-F534 AromaticContact CE2-CZ 3.67Å; F324-F534 HydrophobicContact CE2-CZ 3.67Å; F324-F534 AromaticContact CZ-CE1 3.81Å; F324-F534 HydrophobicContact CZ-CE1 3.81Å; F324-F534 AromaticContact CZ-CZ 3.81Å; F324-F534 HydrophobicContact CZ-CZ 3.81Å
325G97.9Very high94.6Very high19 Ų1938.5 Ų38.520%0.19625%0.247CC..  trans-67.5126.6-177.200000111.9H383G325-H383 PolarHBondContact O-NE2 2.93Å
326G98.4Very high95Very high0 Ų040.7 Ų40.70%026%0.259CS..EExtended strand (participates in β ladder)trans146.2-158.7176.400000115.9V304 V305 F324 P381V304-G326 WeakPolarHBondContact CA-O 3.32Å; V305-G326 PolarHBondContact N-O 3.44Å; V305-G326 PolarHBondContact O-N 2.98Å; F324-G326 PolarHBondContact O-N 3.01Å; G326-P381 CarbonylContact C-O 3.56Å; G326-P381 WeakPolarHBondContact CA-O 3.25Å
327I98.9Very high95.6Very high1 Ų145.7 Ų45.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-118.6129.7-174.4-52.8167.1000109.1V304 L329 L372 L380 P381 L382 H383 L418 L422V304-I327 HydrophobicContact CG2-CG1 4.44Å; V304-I327 HydrophobicContact CG2-CG2 4.48Å; I327-L329 HydrophobicContact CG2-CD2 3.87Å; I327-L329 HydrophobicContact CG2-CG 4.27Å; I327-L372 HydrophobicContact CD1-CB 4.14Å; I327-L372 HydrophobicContact CD1-CD2 3.87Å; I327-L372 HydrophobicContact CD1-CG 4.48Å; I327-L372 HydrophobicContact CG1-CD2 4.37Å; I327-L380 HydrophobicContact CD1-CB 4.02Å; I327-L380 HydrophobicContact CG1-CB 4.07Å; I327-L380 HydrophobicContact CG1-CD1 4.32Å; I327-P381 PolarHBondContact N-O 2.85Å; I327-L382 HydrophobicContact CB-CD1 3.93Å; I327-L382 HydrophobicContact CG2-CD1 3.88Å; I327-H383 PolarHBondContact O-N 3.19Å; I327-L418 HydrophobicContact CD1-CD1 4.23Å; I327-L418 HydrophobicContact CD1-CD2 3.83Å; I327-L418 HydrophobicContact CG2-CD2 3.92Å; I327-L422 HydrophobicContact CG2-CD1 4.48Å
328Y98.9Very high95.9Very high0 Ų039.6 Ų39.60%024%0.244CC..EExtended strand (participates in β ladder)trans-117.5123.1177.2-58.6-94.5000108.6E289 V292 F293 P302 I303 V305 F324 H383 F384E289-Y328 WeakPolarHBondContact O-CE1 3.41Å; V292-Y328 HydrophobicContact CB-CD1 4.12Å; V292-Y328 HydrophobicContact CB-CD2 4.41Å; V292-Y328 HydrophobicContact CB-CE1 3.94Å; V292-Y328 HydrophobicContact CB-CE2 4.26Å; V292-Y328 HydrophobicContact CB-CG 4.35Å; V292-Y328 HydrophobicContact CG1-CD1 4.14Å; V292-Y328 HydrophobicContact CG1-CD2 3.64Å; V292-Y328 HydrophobicContact CG1-CE1 4.22Å; V292-Y328 HydrophobicContact CG1-CE2 3.75Å; V292-Y328 HydrophobicContact CG1-CG 3.85Å; F293-Y328 HydrophobicContact CB-CD1 3.88Å; F293-Y328 HydrophobicContact CD2-CD1 4.3Å; P302-Y328 CarbonylContact C-O 3.54Å; P302-Y328 VanDerWaalsContact CA-O 3.29Å; P302-Y328 WeakPolarHBondContact CA-O 3.47Å; I303-Y328 PolarHBondContact N-O 3.35Å; I303-Y328 PolarHBondContact O-N 3.02Å; V305-Y328 HydrophobicContact CB-CE2 4.19Å; V305-Y328 HydrophobicContact CG2-CD2 4.03Å; V305-Y328 HydrophobicContact CG2-CE2 3.63Å; F324-Y328 PolarHBondContact O-OH 2.93Å; F324-Y328 VanDerWaalsContact O-OH 3.08Å; Y328-H383 HydrophobicContact CD1-CB 3.56Å; Y328-H383 HydrophobicContact CE1-CB 3.45Å; Y328-H383 VanDerWaalsContact CE1-CB 3.45Å; Y328-H383 AromaticContact CE1-CD2 3.59Å; Y328-H383 AromaticContact CE1-CG 3.5Å; Y328-H383 AromaticContact CE2-CD2 3.69Å; Y328-H383 HydrophobicContact CG-CB 4.33Å; Y328-H383 AromaticContact CZ-CD2 3.29Å; Y328-H383 AromaticContact CZ-CG 3.7Å; Y328-H383 AromaticContact CZ-NE2 3.81Å; Y328-H383 PolarHBondContact OH-CD2 3.23Å; Y328-H383 PolarHBondContact OH-NE2 3.19Å; Y328-F384 HydrophobicContact CE1-CE2 4.36Å
329L98.8Very high96.1Very high0 Ų039 Ų390%023%0.23CC..  trans-113.6145.7-179.5-60-176.2000110.6F293 H297 P302 I327 L331 L382 M417 L418 Y421 L422F293-L329 WeakPolarHBondContact CE2-O 3.36Å; H297-L329 PolarHBondContact CE1-O 3.08Å; P302-L329 HydrophobicContact CB-CD2 3.79Å; P302-L329 HydrophobicContact CG-CD2 3.92Å; I327-L329 HydrophobicContact CG2-CD2 3.87Å; I327-L329 HydrophobicContact CG2-CG 4.27Å; L329-L331 HydrophobicContact CB-CD2 3.6Å; L329-L331 HydrophobicContact CB-CG 3.82Å; L329-L331 HydrophobicContact CD1-CD2 3.97Å; L329-L331 HydrophobicContact CG-CD2 4.43Å; L329-L331 PolarHBondContact O-N 2.6Å; L329-L382 HydrophobicContact CD1-CD1 3.84Å; L329-L382 HydrophobicContact CG-CD1 3.9Å; L329-M417 HydrophobicContact CD1-CB 4.12Å; L329-L418 HydrophobicContact CD1-CD2 4.3Å; L329-Y421 HydrophobicContact CB-CG 4.48Å; L329-Y421 HydrophobicContact CD1-CD2 4.01Å; L329-Y421 HydrophobicContact CD1-CG 4.26Å; L329-L422 HydrophobicContact CD2-CG 4.37Å
330P98.1Very high96.3Very high0 Ų037 Ų370%022%0.218CC..  trans-76.866.917433-35.8000111.2H297 E332 V333 C338 Y421H297-P330 VanDerWaalsContact NE2-C 3.32Å; P330-E332 PolarHBondContact O-N 3.43Å; P330-V333 HydrophobicContact CB-CB 4.23Å; P330-V333 HydrophobicContact CB-CG2 4.19Å; P330-V333 PolarHBondContact O-N 3.4Å; P330-V333 VanDerWaalsContact O-N 3.09Å; P330-C338 HydrophobicContact CG-CB 4.16Å; P330-Y421 HydrophobicContact CG-CD1 3.95Å; P330-Y421 HydrophobicContact CG-CE1 4.06Å; P330-Y421 WeakPolarHBondContact O-CE1 3.27Å
331L98.3Very high96.6Very high21 Ų2136.1 Ų36.111%0.1121%0.211CC..THydrogen-bonded Turntrans-68.7-24.8-166.9-65.2177.8000115.7F293 H297 L329 V333 M417 Y421F293-L331 HydrophobicContact CE2-CD1 4.24Å; F293-L331 HydrophobicContact CE2-CG 4.45Å; F293-L331 HydrophobicContact CZ-CB 4.45Å; F293-L331 HydrophobicContact CZ-CD1 4.27Å; H297-L331 PolarHBondContact NE2-N 2.97Å; L329-L331 HydrophobicContact CB-CD2 3.6Å; L329-L331 HydrophobicContact CB-CG 3.82Å; L329-L331 HydrophobicContact CD1-CD2 3.97Å; L329-L331 HydrophobicContact CG-CD2 4.43Å; L329-L331 PolarHBondContact O-N 2.6Å; L331-V333 VanDerWaalsContact C-N 3.33Å; L331-M417 HydrophobicContact CD1-CE 3.45Å; L331-M417 VanDerWaalsContact CD1-CE 3.45Å; L331-M417 HydrophobicContact CD2-CE 3.52Å; L331-M417 HydrophobicContact CG-CE 4.15Å; L331-Y421 HydrophobicContact CD2-CD2 4.12Å; L331-Y421 HydrophobicContact CD2-CE2 3.64Å; L331-Y421 PolarHBondContact O-OH 2.71Å
332E97.9Very high96.9Very high54 Ų5431.9 Ų31.925%0.25218%0.183SC..THydrogen-bonded Turntrans-82.1-14.6173.2-59.7-55123.400112.6E221 A224 L225 R228 H297 P330E221-E332 HydrophobicContact CB-CB 4.03Å; E221-E332 HydrophobicContact CB-CG 4.47Å; E221-E332 HydrophobicContact CG-CB 3.85Å; A224-E332 HydrophobicContact CB-CG 3.89Å; A224-E332 WeakPolarHBondContact CB-OE2 3.34Å; L225-E332 HydrophobicContact CD2-CG 4.11Å; L225-E332 HydrophobicContact CG-CG 4.48Å; R228-E332 IonicContact CZ-OE1 2.75Å; R228-E332 IonicContact NE-OE1 2.71Å; R228-E332 PolarHBondContact NE-OE1 3.1Å; R228-E332 IonicContact NH2-OE1 3.74Å; R228-E332 PolarHBondContact NH2-OE1 2.93Å; H297-E332 PolarHBondContact NE2-N 2.95Å; H297-E332 VanDerWaalsContact NE2-N 3.14Å; P330-E332 PolarHBondContact O-N 3.43Å
333V96.7Very high97.1Very high2 Ų231 Ų311%0.01218%0.179CC..SBendtrans-93.8120.6176.3-1710000109.4H297 R300 P330 L331 A335 K337 C338 Y421H297-V333 HydrophobicContact CB-CG2 4.39Å; R300-V333 HydrophobicContact CG-CG1 4.03Å; R300-V333 HydrophobicContact CG-CG2 4.32Å; P330-V333 HydrophobicContact CB-CB 4.23Å; P330-V333 HydrophobicContact CB-CG2 4.19Å; P330-V333 PolarHBondContact O-N 3.4Å; P330-V333 VanDerWaalsContact O-N 3.09Å; L331-V333 VanDerWaalsContact C-N 3.33Å; V333-A335 PolarHBondContact O-N 3.22Å; V333-A335 VanDerWaalsContact O-N 3.16Å; V333-K337 HydrophobicContact CG1-CB 4.1Å; V333-C338 WeakPolarHBondContact CG1-SG 3.45Å; V333-Y421 WeakPolarHBondContact O-CE1 3.22Å; V333-Y421 PolarHBondContact O-OH 3.19Å; V333-Y421 VanDerWaalsContact O-OH 3.12Å
334P97.2Very high97.3Very high77 Ų7728.8 Ų28.850%0.516%0.164SC..  trans-55.7123.7178.5-26.934.7000112A336 K337P334-A336 PolarHBondContact O-N 2.95Å; P334-K337 WeakPolarHBondContact O-CB 3.34Å; P334-K337 PolarHBondContact O-N 3.23Å
335A96.9Very high97.3Very high20 Ų2028.8 Ų28.817%0.16516%0.164CC..G310 helixtrans-52.6-23.8-169.400000116.3V333 K337 C338 T420 Y421V333-A335 PolarHBondContact O-N 3.22Å; V333-A335 VanDerWaalsContact O-N 3.16Å; A335-K337 PolarHBondContact O-N 2.74Å; A335-C338 PolarHBondContact O-N 2.84Å; A335-C338 VanDerWaalsContact O-N 3.12Å; A335-T420 HydrophobicContact CB-CG2 3.81Å; A335-Y421 HydrophobicContact CB-CD1 3.76Å; A335-Y421 HydrophobicContact CB-CD2 4.45Å; A335-Y421 HydrophobicContact CB-CE1 3.55Å; A335-Y421 HydrophobicContact CB-CE2 4.27Å; A335-Y421 HydrophobicContact CB-CG 4.2Å
336A96.3Very high97.3Very high108 Ų10827.9 Ų27.989%0.89316%0.155SC*.G310 helixtrans-67.7-11.9172.700000114.1P334P334-A336 PolarHBondContact O-N 2.95Å
337K94.9Very high97.3Very high137 Ų13728.5 Ų28.560%0.59616%0.158SC*.G310 helixtrans-103.49173-57.1-178.4-179.8179.70112.5V333 P334 A335V333-K337 HydrophobicContact CG1-CB 4.1Å; P334-K337 WeakPolarHBondContact O-CB 3.34Å; P334-K337 PolarHBondContact O-N 3.23Å; A335-K337 PolarHBondContact O-N 2.74Å
338C95.8Very high97.1Very high16 Ų1629.6 Ų29.611%0.10816%0.164CC..SBendtrans-117.8146.5-171.9-60.10000112.3R300 P330 V333 A335 Y421R300-C338 CarbonylContact O-C 3.56Å; R300-C338 WeakPolarHBondContact O-CA 3.39Å; R300-C338 VanDerWaalsContact O-CB 3.32Å; R300-C338 WeakPolarHBondContact O-CB 3.36Å; P330-C338 HydrophobicContact CG-CB 4.16Å; V333-C338 WeakPolarHBondContact CG1-SG 3.45Å; A335-C338 PolarHBondContact O-N 2.84Å; A335-C338 VanDerWaalsContact O-N 3.12Å; C338-Y421 HydrophobicContact CB-CD1 4.44Å
339H94.8Very high96.7Very high52 Ų5236.5 Ų36.524%0.24120%0.196CC..  trans-72.3136.4171.2-63.3-37.2000110.2T125 L127 R300 R301 P302T125-H339 WeakPolarHBondContact CA-NE2 3.5Å; T125-H339 WeakPolarHBondContact CB-NE2 3.49Å; T125-H339 PolarHBondContact O-NE2 3.15Å; T125-H339 PolarHBondContact OG1-CD2 3.41Å; T125-H339 PolarHBondContact OG1-NE2 3.41Å; L127-H339 HydrophobicContact CD2-CB 4.38Å; L127-H339 WeakPolarHBondContact CD2-ND1 3.19Å; R300-H339 PolarHBondContact O-N 3.31Å; R301-H339 HydrophobicContact CB-CB 4.11Å; R301-H339 HydrophobicContact CG-CB 3.93Å; P302-H339 WeakPolarHBondContact CD-O 3.34Å
340R95.7Very high96.4Very high94 Ų9438.1 Ų38.136%0.35521%0.209SC..SBendtrans-94.9-11.5-178.1-57.9-174.970.489.34.3115.1H419 T420 Y421 L422 T423R340-H419 PolarHBondContact NH2-O 3.27Å; R340-T420 PolarHBondContact NH1-O 3.07Å; R340-Y421 WeakPolarHBondContact CA-O 3.33Å; R340-L422 PolarHBondContact NH2-O 3.1Å; R340-L422 WeakPolarHBondContact O-CA 3.06Å; R340-T423 WeakPolarHBondContact CB-OG1 3.39Å; R340-T423 PolarHBondContact O-N 3.3Å; R340-T423 VanDerWaalsContact O-N 3.13Å
341S95.9Very high96.2Very high3 Ų339.8 Ų39.82%0.02122%0.217CC..SBendtrans-83.6118.1169.5178.20000108R301 T653R301-S341 WeakPolarHBondContact CG-O 3.26Å; R301-S341 PolarHBondContact NE-O 3.04Å; S341-T653 PolarHBondContact OG-N 2.88Å
342P97.4Very high96.2Very high0 Ų039 Ų390%021%0.213CC..PPolyproline II helixtrans-67.2154.9177.723.4-27.7000111.6R301 P302 V304 I370 L422 S650 L652R301-P342 PolarHBondContact NH2-O 2.8Å; P302-P342 HydrophobicContact CB-CB 4.17Å; P302-P342 CarbonylContact O-C 3.53Å; P302-P342 VanDerWaalsContact O-CA 3.23Å; P302-P342 WeakPolarHBondContact O-CA 3.41Å; V304-P342 HydrophobicContact CG2-CB 3.88Å; V304-P342 HydrophobicContact CG2-CG 4.23Å; P342-I370 HydrophobicContact CG-CG2 4.12Å; P342-L422 HydrophobicContact CB-CD2 3.91Å; P342-L422 HydrophobicContact CG-CD2 3.84Å; P342-S650 VanDerWaalsContact CD-OG 3.31Å; P342-S650 WeakPolarHBondContact CD-OG 3.19Å; P342-L652 HydrophobicContact CG-CD2 3.65Å
343L97.8Very high96.2Very high0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-81.3134.2155.8169.465000107.2A194 M198 L299 P302 I303 V304 L345A194-L343 HydrophobicContact CB-CD2 3.71Å; M198-L343 HydrophobicContact CG-CD1 4.48Å; L299-L343 HydrophobicContact CD1-CD2 3.82Å; P302-L343 PolarHBondContact O-N 2.75Å; I303-L343 CarbonylContact C-O 3.55Å; I303-L343 WeakPolarHBondContact CA-O 3.21Å; I303-L343 HydrophobicContact CD1-CD2 4.33Å; I303-L343 HydrophobicContact CG1-CB 4.41Å; I303-L343 HydrophobicContact CG1-CD2 4.34Å; V304-L343 PolarHBondContact N-O 3.15Å; L343-L345 HydrophobicContact CD1-CD2 4.22Å; L343-L345 HydrophobicContact CD2-CD2 4.3Å; L343-L345 HydrophobicContact CG-CD2 4.1Å; L343-L345 HydrophobicContact CG-CG 4.37Å
344V98.4Very high96.2Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-113.4128.5179.9-166.50000110L178 V304 V306 L355 I370 L652L178-V344 HydrophobicContact CD1-CG1 4.36Å; V304-V344 WeakPolarHBondContact O-CA 3.31Å; V306-V344 HydrophobicContact CG2-CG1 4.42Å; V344-L355 HydrophobicContact CB-CB 4.11Å; V344-L355 HydrophobicContact CG1-CB 3.87Å; V344-L355 HydrophobicContact CG1-CD1 3.84Å; V344-L355 HydrophobicContact CG1-CG 4.47Å; V344-L355 PolarHBondContact O-N 2.88Å; V344-I370 HydrophobicContact CG1-CD1 3.96Å; V344-I370 HydrophobicContact CG1-CG1 4.01Å; V344-I370 HydrophobicContact CG2-CB 4.21Å; V344-I370 HydrophobicContact CG2-CG1 4.35Å; V344-I370 HydrophobicContact CG2-CG2 4Å; V344-L652 HydrophobicContact CG2-CD1 3.96Å; V344-L652 HydrophobicContact CG2-CD2 3.49Å; V344-L652 VanDerWaalsContact CG2-CD2 3.49Å; V344-L652 HydrophobicContact CG2-CG 4.39Å
345L98.6Very high96.2Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-122.5155.6179-54.3179.5000109.8L190 A193 I303 V304 V305 V306 L343 F352 S353L190-L345 HydrophobicContact CD1-CD1 3.73Å; A193-L345 HydrophobicContact CB-CD2 3.94Å; I303-L345 HydrophobicContact CG2-CD1 3.78Å; I303-L345 HydrophobicContact CG2-CG 4.01Å; V304-L345 PolarHBondContact O-N 2.97Å; V305-L345 WeakPolarHBondContact CA-O 3.39Å; V305-L345 HydrophobicContact CG2-CB 4.37Å; V306-L345 PolarHBondContact N-O 2.87Å; L343-L345 HydrophobicContact CD1-CD2 4.22Å; L343-L345 HydrophobicContact CD2-CD2 4.3Å; L343-L345 HydrophobicContact CG-CD2 4.1Å; L343-L345 HydrophobicContact CG-CG 4.37Å; L345-F352 HydrophobicContact CD1-CD1 4.44Å; L345-S353 CarbonylContact C-O 3.55Å; L345-S353 VanDerWaalsContact CA-O 3.29Å; L345-S353 WeakPolarHBondContact CA-O 3.21Å
346A98.5Very high96.1Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-110.6149164.800000110M155 L159 V306 F352 S353 L355M155-A346 HydrophobicContact CG-CB 4.28Å; M155-A346 HydrophobicContact SD-CB 3.39Å; M155-A346 WeakPolarHBondContact SD-CB 3.43Å; L159-A346 HydrophobicContact CD1-CB 3.77Å; V306-A346 CarbonylContact O-C 3.52Å; V306-A346 VanDerWaalsContact O-CA 3.3Å; V306-A346 WeakPolarHBondContact O-CA 3.48Å; A346-F352 WeakPolarHBondContact O-CA 3.34Å; A346-S353 PolarHBondContact N-O 3.21Å; A346-S353 PolarHBondContact O-N 2.86Å; A346-L355 HydrophobicContact CB-CD1 3.9Å; A346-L355 HydrophobicContact CB-CD2 4.07Å; A346-L355 HydrophobicContact CB-CG 3.77Å
347Y97.9Very high96Very high13 Ų1326.8 Ų26.85%0.05113%0.127CC..EExtended strand (participates in β ladder)trans-133127172175.1-87.3000110.5V306 A307 I322 F324 A350 H351 F352 F534V306-Y347 PolarHBondContact O-N 2.83Å; A307-Y347 WeakPolarHBondContact CA-O 3.37Å; A307-Y347 HydrophobicContact CB-CD1 4.22Å; I322-Y347 HydrophobicContact CG2-CD1 3.81Å; I322-Y347 HydrophobicContact CG2-CE1 3.68Å; F324-Y347 HydrophobicContact CB-CD1 4.12Å; F324-Y347 HydrophobicContact CB-CD2 4.5Å; F324-Y347 HydrophobicContact CB-CG 4.06Å; F324-Y347 AromaticContact CD2-CD1 3.88Å; F324-Y347 HydrophobicContact CD2-CD1 3.88Å; F324-Y347 HydrophobicContact CD2-CD2 4Å; F324-Y347 AromaticContact CD2-CE1 3.53Å; F324-Y347 HydrophobicContact CD2-CE1 3.53Å; F324-Y347 AromaticContact CD2-CE2 3.64Å; F324-Y347 HydrophobicContact CD2-CE2 3.64Å; F324-Y347 HydrophobicContact CD2-CG 4.11Å; F324-Y347 AromaticContact CD2-CZ 3.38Å; F324-Y347 HydrophobicContact CE2-CD2 4.37Å; F324-Y347 HydrophobicContact CE2-CE1 4.07Å; F324-Y347 AromaticContact CE2-CE2 3.63Å; F324-Y347 HydrophobicContact CE2-CE2 3.63Å; F324-Y347 AromaticContact CE2-CZ 3.45Å; F324-Y347 VanDerWaalsContact CE2-CZ 3.45Å; F324-Y347 WeakPolarHBondContact CE2-OH 3.31Å; F324-Y347 HydrophobicContact CG-CD1 4.28Å; F324-Y347 HydrophobicContact CG-CD2 4.16Å; F324-Y347 HydrophobicContact CG-CE1 4.36Å; F324-Y347 HydrophobicContact CG-CE2 4.22Å; F324-Y347 HydrophobicContact CG-CG 4.18Å; F324-Y347 HydrophobicContact CZ-CE2 4.19Å; Y347-A350 WeakPolarHBondContact OH-CA 3.47Å; Y347-H351 WeakPolarHBondContact CA-O 3.46Å; Y347-H351 WeakPolarHBondContact CD2-O 3.28Å; Y347-F352 HydrophobicContact CD2-CD1 4.09Å; Y347-F352 AromaticContact CD2-CD2 3.94Å; Y347-F352 HydrophobicContact CD2-CD2 3.94Å; Y347-F352 AromaticContact CD2-CE1 3.86Å; Y347-F352 HydrophobicContact CD2-CE1 3.86Å; Y347-F352 AromaticContact CD2-CE2 3.7Å; Y347-F352 HydrophobicContact CD2-CE2 3.7Å; Y347-F352 HydrophobicContact CD2-CG 4.15Å; Y347-F352 AromaticContact CD2-CZ 3.66Å; Y347-F352 HydrophobicContact CD2-CZ 3.66Å; Y347-F352 HydrophobicContact CE2-CD2 4.47Å; Y347-F352 HydrophobicContact CE2-CE2 4.08Å; Y347-F352 HydrophobicContact CE2-CZ 4.33Å; Y347-F352 HydrophobicContact CG-CE1 4.3Å; Y347-F352 HydrophobicContact CG-CZ 4.43Å; Y347-F534 WeakPolarHBondContact OH-CZ 3.47Å
348D94.9Very high95.9Very high25 Ų2522 Ų2213%0.13411%0.108CC..EExtended strand (participates in β ladder)trans-150.8152.3170-17836000109.4M155 A350 H351M155-D348 HydrophobicContact CB-CB 4.28Å; M155-D348 HydrophobicContact CE-CB 4.16Å; M155-D348 HydrophobicContact CG-CB 3.77Å; D348-A350 VanDerWaalsContact C-N 3.27Å; D348-A350 PolarHBondContact O-N 2.77Å; D348-H351 PolarHBondContact N-O 3.48Å; D348-H351 WeakPolarHBondContact O-CA 3.38Å; D348-H351 PolarHBondContact O-N 2.68Å
349Q89.7Confident95.5Very high144 Ų14423.6 Ų23.667%0.67311%0.113SC*.THydrogen-bonded Turntrans44.644.1171.4-71172.287.800115.3H351Q349-H351 VanDerWaalsContact C-N 3.25Å; Q349-H351 PolarHBondContact O-N 2.97Å
350A91.8Very high94.7Very high35 Ų3524.4 Ų24.429%0.28912%0.117SC..THydrogen-bonded Turntrans63.121.5-177.800000115.7Y347 D348 F534Y347-A350 WeakPolarHBondContact OH-CA 3.47Å; D348-A350 VanDerWaalsContact C-N 3.27Å; D348-A350 PolarHBondContact O-N 2.77Å; A350-F534 HydrophobicContact CB-CE2 3.88Å
351H94.6Very high93.1Very high34 Ų3427.9 Ų27.916%0.15714%0.135CC..EExtended strand (participates in β ladder)trans-125.2148.2-180-168.562.1000111.8M155 T183 Y347 D348 Q349M155-H351 HydrophobicContact CE-CB 4.17Å; M155-H351 WeakPolarHBondContact CE-O 3.27Å; T183-H351 PolarHBondContact O-CE1 3.19Å; T183-H351 PolarHBondContact O-NE2 3.09Å; T183-H351 PolarHBondContact OG1-CE1 3.34Å; T183-H351 PolarHBondContact OG1-NE2 2.97Å; Y347-H351 WeakPolarHBondContact CA-O 3.46Å; Y347-H351 WeakPolarHBondContact CD2-O 3.28Å; D348-H351 PolarHBondContact N-O 3.48Å; D348-H351 WeakPolarHBondContact O-CA 3.38Å; D348-H351 PolarHBondContact O-N 2.68Å; Q349-H351 VanDerWaalsContact C-N 3.25Å; Q349-H351 PolarHBondContact O-N 2.97Å
352F97.9Very high91.4Very high5 Ų534.1 Ų34.12%0.02217%0.168CC..EExtended strand (participates in β ladder)trans-113.8139.5175.1-79.7-82.9000111.6T183 C189 L190 A193 V292 V305 F324 L345 A346 Y347T183-F352 VanDerWaalsContact CG2-O 3.31Å; T183-F352 WeakPolarHBondContact CG2-O 3.28Å; T183-F352 PolarHBondContact OG1-O 3.11Å; C189-F352 HydrophobicContact CB-CB 4.39Å; L190-F352 HydrophobicContact CB-CD2 3.72Å; L190-F352 HydrophobicContact CB-CE2 4Å; L190-F352 HydrophobicContact CB-CG 4.18Å; L190-F352 HydrophobicContact CD1-CD1 3.94Å; L190-F352 HydrophobicContact CD1-CD2 4.17Å; L190-F352 HydrophobicContact CD1-CE1 3.86Å; L190-F352 HydrophobicContact CD1-CE2 4.1Å; L190-F352 HydrophobicContact CD1-CG 4.08Å; L190-F352 HydrophobicContact CD1-CZ 3.93Å; L190-F352 HydrophobicContact CG-CD2 4.48Å; L190-F352 HydrophobicContact CG-CE2 4.43Å; A193-F352 HydrophobicContact CB-CB 4.1Å; V292-F352 HydrophobicContact CG2-CZ 4.08Å; V305-F352 HydrophobicContact CG1-CE1 4.2Å; F324-F352 HydrophobicContact CD1-CE1 4.4Å; F324-F352 HydrophobicContact CD1-CE2 4.35Å; F324-F352 AromaticContact CD1-CZ 3.55Å; F324-F352 HydrophobicContact CD1-CZ 3.55Å; F324-F352 HydrophobicContact CE1-CE2 4.13Å; F324-F352 AromaticContact CE1-CZ 3.75Å; F324-F352 HydrophobicContact CE1-CZ 3.75Å; F324-F352 HydrophobicContact CG-CZ 4.17Å; L345-F352 HydrophobicContact CD1-CD1 4.44Å; A346-F352 WeakPolarHBondContact O-CA 3.34Å; Y347-F352 HydrophobicContact CD2-CD1 4.09Å; Y347-F352 AromaticContact CD2-CD2 3.94Å; Y347-F352 HydrophobicContact CD2-CD2 3.94Å; Y347-F352 AromaticContact CD2-CE1 3.86Å; Y347-F352 HydrophobicContact CD2-CE1 3.86Å; Y347-F352 AromaticContact CD2-CE2 3.7Å; Y347-F352 HydrophobicContact CD2-CE2 3.7Å; Y347-F352 HydrophobicContact CD2-CG 4.15Å; Y347-F352 AromaticContact CD2-CZ 3.66Å; Y347-F352 HydrophobicContact CD2-CZ 3.66Å; Y347-F352 HydrophobicContact CE2-CD2 4.47Å; Y347-F352 HydrophobicContact CE2-CE2 4.08Å; Y347-F352 HydrophobicContact CE2-CZ 4.33Å; Y347-F352 HydrophobicContact CG-CE1 4.3Å; Y347-F352 HydrophobicContact CG-CZ 4.43Å
353S97.9Very high89.3Confident0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-128.8150.9172.8-75.40000111.8L181 L345 A346L181-S353 WeakPolarHBondContact O-CB 3.4Å; L181-S353 PolarHBondContact O-OG 3.41Å; L345-S353 CarbonylContact C-O 3.55Å; L345-S353 VanDerWaalsContact CA-O 3.29Å; L345-S353 WeakPolarHBondContact CA-O 3.21Å; A346-S353 PolarHBondContact N-O 3.21Å; A346-S353 PolarHBondContact O-N 2.86Å
354A97.4Very high87.2Confident0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-78.2128.4170.900000109.6P180 L181 A193 L196 V356P180-A354 CarbonylContact C-O 3.57Å; P180-A354 WeakPolarHBondContact CA-O 3.49Å; L181-A354 HydrophobicContact CB-CB 4.3Å; L181-A354 HydrophobicContact CD1-CB 4.21Å; L181-A354 HydrophobicContact CG-CB 4.39Å; L181-A354 PolarHBondContact N-O 3.19Å; A193-A354 WeakPolarHBondContact O-CB 2.94Å; L196-A354 HydrophobicContact CB-CB 4.16Å; A354-V356 HydrophobicContact CB-CG1 4.29Å
355L97.6Very high85.4Confident1 Ų151.1 Ų51.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-92.1113.9172.9-79.9177.7000109.9L165 L178 P180 V306 V344 A346L165-L355 HydrophobicContact CD1-CD1 3.83Å; L165-L355 HydrophobicContact CD1-CD2 3.78Å; L165-L355 HydrophobicContact CD2-CD2 4.05Å; L178-L355 HydrophobicContact CB-CB 4.15Å; L178-L355 HydrophobicContact CB-CD2 4.13Å; L178-L355 HydrophobicContact CD1-CB 4.34Å; P180-L355 HydrophobicContact CB-CD2 4.03Å; V306-L355 HydrophobicContact CB-CD1 3.91Å; V306-L355 HydrophobicContact CG2-CD1 3.63Å; V344-L355 HydrophobicContact CB-CB 4.11Å; V344-L355 HydrophobicContact CG1-CB 3.87Å; V344-L355 HydrophobicContact CG1-CD1 3.84Å; V344-L355 HydrophobicContact CG1-CG 4.47Å; V344-L355 PolarHBondContact O-N 2.88Å; A346-L355 HydrophobicContact CB-CD1 3.9Å; A346-L355 HydrophobicContact CB-CD2 4.07Å; A346-L355 HydrophobicContact CB-CG 3.77Å
356V95.1Very high84.2Confident1 Ų153.5 Ų53.51%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-127152.5-174.3-58.80000111.7T129 F130 L132 L178 L179 L181 A354T129-V356 HydrophobicContact CG2-CG1 4.33Å; F130-V356 HydrophobicContact CD1-CG1 4.32Å; F130-V356 WeakPolarHBondContact O-CB 3.39Å; F130-V356 WeakPolarHBondContact O-CG1 3.39Å; L132-V356 HydrophobicContact CD1-CG2 3.84Å; L132-V356 HydrophobicContact CG-CG2 3.89Å; L178-V356 WeakPolarHBondContact CA-O 3.23Å; L179-V356 PolarHBondContact N-O 3.33Å; L179-V356 PolarHBondContact O-N 2.97Å; L181-V356 HydrophobicContact CD1-CG1 4Å; L181-V356 HydrophobicContact CD1-CG2 4.06Å; L181-V356 HydrophobicContact CD2-CG2 3.77Å; L181-V356 HydrophobicContact CG-CG1 4.31Å; L181-V356 HydrophobicContact CG-CG2 3.74Å; A354-V356 HydrophobicContact CB-CG1 4.29Å
357S93.6Very high83.7Confident2 Ų258 Ų581%0.01430%0.299CS..PPolyproline II helixtrans-89.3166.6169.447.50000111.8Q131 L132 V368Q131-S357 WeakPolarHBondContact CA-O 3.41Å; Q131-S357 PolarHBondContact NE2-OG 3.49Å; L132-S357 PolarHBondContact N-O 3.28Å; S357-V368 WeakPolarHBondContact OG-CG1 3.41Å
358M91.4Very high83.5Confident37 Ų3757.8 Ų57.818%0.18230%0.3CS..BIsolated β-bridgetrans-90.8153.2164.3-67.8178.3-6900109.9Q131 L132 L135 Q176 L179Q131-M358 PolarHBondContact NE2-O 2.92Å; Q131-M358 VanDerWaalsContact NE2-O 3.1Å; L132-M358 HydrophobicContact CB-CG 4Å; L132-M358 CarbonylContact O-C 3.55Å; L132-M358 WeakPolarHBondContact O-CA 3.38Å; L135-M358 HydrophobicContact CB-SD 4.19Å; L135-M358 HydrophobicContact CG-SD 4.42Å; Q176-M358 PolarHBondContact OE1-O 3.5Å; L179-M358 HydrophobicContact CD1-CE 4.11Å; L179-M358 HydrophobicContact CD1-CG 3.95Å; L179-M358 HydrophobicContact CD1-SD 3.94Å
359E88Confident83.5Confident49 Ų4956.6 Ų56.623%0.22929%0.293CS..PPolyproline II helixtrans-61.6153.3164.1-76.1172.9155.300111.2Q131 L132 R657Q131-E359 HydrophobicContact CB-CG 4.12Å; L132-E359 PolarHBondContact O-N 3.01Å; E359-R657 IonicContact OE1-CZ 2.72Å; E359-R657 IonicContact OE1-NE 3.68Å; E359-R657 IonicContact OE1-NH1 2.98Å; E359-R657 PolarHBondContact OE1-NH1 3.15Å; E359-R657 VanDerWaalsContact OE1-NH1 3.1Å; E359-R657 IonicContact OE1-NH2 2.73Å; E359-R657 PolarHBondContact OE1-NH2 3.32Å; E359-R657 IonicContact OE2-CZ 2.92Å; E359-R657 IonicContact OE2-NH1 3.48Å; E359-R657 PolarHBondContact OE2-NH1 3.42Å; E359-R657 IonicContact OE2-NH2 3.25Å; E359-R657 PolarHBondContact OE2-NH2 3.4Å
360Q78.5Confident83.9Confident70 Ų7049.9 Ų49.933%0.32726%0.262SS..  trans-119.8131.2170.3-67.7-170.2-25.900109.2Q176 D362 S364 D366Q176-Q360 VanDerWaalsContact NE2-CD 3.26Å; Q360-D362 CarbonylContact C-O 3.57Å; Q360-S364 VanDerWaalsContact OE1-CA 3.28Å; Q360-S364 VanDerWaalsContact OE1-CB 3.3Å; Q360-S364 PolarHBondContact OE1-OG 3.17Å; Q360-D366 PolarHBondContact NE2-OD2 2.95Å
361K61.4Low84.2Confident167 Ų16748.4 Ų48.473%0.72625%0.25SC*.SBendtrans-76.5-36.5-166.7-170.4174.9-175.3173.80113.6V137V137-K361 HydrophobicContact CG1-CD 4.27Å
362D60Low84.3Confident134 Ų13446.8 Ų46.872%0.71724%0.242SC*.SBendtrans-92.1156.4160.3-67.2-61.8000108.7Q360 S364Q360-D362 CarbonylContact C-O 3.57Å; D362-S364 VanDerWaalsContact C-N 3.32Å; D362-S364 PolarHBondContact O-N 3.45Å; D362-S364 PolarHBondContact O-OG 3.44Å
363S53.7Low84.3Confident124 Ų12446.8 Ų46.887%0.86724%0.242SC*.  trans-70.588.3-179.8620000111
364S54.6Low84.1Confident65 Ų6548 Ų4846%0.45525%0.249SC..  trans-40.9139.5176.262.10000112.6Q360 D362 D366Q360-S364 VanDerWaalsContact OE1-CA 3.28Å; Q360-S364 VanDerWaalsContact OE1-CB 3.3Å; Q360-S364 PolarHBondContact OE1-OG 3.17Å; D362-S364 VanDerWaalsContact C-N 3.32Å; D362-S364 PolarHBondContact O-N 3.45Å; D362-S364 PolarHBondContact O-OG 3.44Å; S364-D366 PolarHBondContact O-N 3.39Å
365K60.5Low83.9Confident167 Ų16749.4 Ų49.473%0.72626%0.259SS*.SBendtrans-74.4-6.2152.2-69.5-176.1179.3177.40111.5N174 Q367N174-K365 HydrophobicContact CB-CB 4.24Å; K365-Q367 PolarHBondContact O-N 3.45Å
366D74Confident83.6Confident51 Ų5153.7 Ų53.727%0.27328%0.279SS..  trans-74.2110-171.8-57.10.3000110.8N174 Q176 Q360 S364N174-D366 WeakPolarHBondContact CA-OD1 3.49Å; N174-D366 WeakPolarHBondContact CB-OD1 3.48Å; N174-D366 CarbonylContact O-C 3.56Å; N174-D366 VanDerWaalsContact O-CA 3.27Å; N174-D366 WeakPolarHBondContact O-CA 3.44Å; Q176-D366 HydrophobicContact CG-CB 3.56Å; Q176-D366 PolarHBondContact NE2-O 2.81Å; Q360-D366 PolarHBondContact NE2-OD2 2.95Å; S364-D366 PolarHBondContact O-N 3.39Å
367Q87.1Confident83.3Confident93 Ų9354.3 Ų54.344%0.43528%0.282SS..BIsolated β-bridgetrans-78.6133.7-179.7-63.8175.851.400109.7N174 Q176 K365 V369N174-Q367 PolarHBondContact O-N 3.47Å; Q176-Q367 PolarHBondContact N-O 2.84Å; K365-Q367 PolarHBondContact O-N 3.45Å; Q367-V369 HydrophobicContact CB-CG1 3.89Å; Q367-V369 PolarHBondContact O-N 3.38Å
368V93.1Very high83.3Confident10 Ų1060.9 Ų60.96%0.06131%0.31CS..  trans-85.1108.8170.9-166.20000106.9Q176 L178 S357 L652 T654Q176-V368 HydrophobicContact CG-CG2 4.34Å; L178-V368 HydrophobicContact CD2-CG1 4.13Å; S357-V368 WeakPolarHBondContact OG-CG1 3.41Å; V368-L652 HydrophobicContact CB-CB 4.21Å; V368-L652 HydrophobicContact CG1-CB 3.87Å; V368-L652 HydrophobicContact CG1-CD1 3.85Å; V368-L652 HydrophobicContact CG1-CG 4.43Å; V368-L652 WeakPolarHBondContact O-CB 3.46Å; V368-L652 PolarHBondContact O-N 2.96Å; V368-T654 HydrophobicContact CB-CG2 4.32Å; V368-T654 HydrophobicContact CG1-CG2 4.15Å; V368-T654 HydrophobicContact CG2-CG2 4.19Å
369V95.7Very high83.5Confident0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-140.4154.6-169.9-690000110.9C175 Q367 L427 A649 S650 L651C175-V369 HydrophobicContact CB-CG2 4.35Å; Q367-V369 HydrophobicContact CB-CG1 3.89Å; Q367-V369 PolarHBondContact O-N 3.38Å; V369-L427 HydrophobicContact CB-CD1 4.45Å; V369-L427 HydrophobicContact CG1-CD2 4.49Å; V369-L427 HydrophobicContact CG2-CD1 3.91Å; V369-A649 HydrophobicContact CB-CB 4.46Å; V369-S650 WeakPolarHBondContact CA-O 3.26Å; V369-L651 HydrophobicContact CG1-CD1 4.18Å
370I97.6Very high83.9Confident3 Ų359.7 Ų59.72%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-128.4122.8170.7-174.965.1000109.3W168 L178 V304 V306 P342 V344 A649 S650 L652W168-I370 HydrophobicContact CH2-CD1 3.66Å; W168-I370 HydrophobicContact CZ2-CD1 3.99Å; W168-I370 HydrophobicContact CZ3-CD1 4.36Å; L178-I370 HydrophobicContact CD1-CD1 4.11Å; V304-I370 HydrophobicContact CB-CG1 4.48Å; V304-I370 HydrophobicContact CG1-CG1 3.86Å; V306-I370 HydrophobicContact CG2-CD1 3.9Å; P342-I370 HydrophobicContact CG-CG2 4.12Å; V344-I370 HydrophobicContact CG1-CD1 3.96Å; V344-I370 HydrophobicContact CG1-CG1 4.01Å; V344-I370 HydrophobicContact CG2-CB 4.21Å; V344-I370 HydrophobicContact CG2-CG1 4.35Å; V344-I370 HydrophobicContact CG2-CG2 4Å; I370-A649 CarbonylContact O-C 2.98Å; I370-A649 VanDerWaalsContact O-CA 3.32Å; I370-A649 WeakPolarHBondContact O-CA 3.38Å; I370-A649 WeakPolarHBondContact O-CB 3.4Å; I370-S650 PolarHBondContact N-O 2.95Å; I370-S650 PolarHBondContact O-N 2.9Å; I370-L652 HydrophobicContact CB-CD1 4.26Å; I370-L652 HydrophobicContact CG2-CD1 4.4Å; I370-L652 HydrophobicContact CG2-CD2 3.88Å; I370-L652 HydrophobicContact CG2-CG 4.24Å
371P97.6Very high84.8Confident4 Ų459.9 Ų59.93%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-57.9144.3173.2-2938.1000112.9W167 W168 I647 F648W167-P371 HydrophobicContact CH2-CB 4.49Å; W167-P371 HydrophobicContact CH2-CG 4.5Å; W167-P371 HydrophobicContact CZ2-CB 3.84Å; W167-P371 HydrophobicContact CZ2-CG 3.94Å; W168-P371 HydrophobicContact CB-CG 3.76Å; W168-P371 VanDerWaalsContact CD2-CD 3.44Å; W168-P371 HydrophobicContact CD2-CG 3.54Å; W168-P371 HydrophobicContact CE3-CG 3.55Å; W168-P371 HydrophobicContact CG-CG 3.65Å; W168-P371 HydrophobicContact CZ3-CG 4.28Å; P371-I647 HydrophobicContact CB-CG2 3.93Å; P371-I647 HydrophobicContact CG-CG2 4.1Å; P371-F648 CarbonylContact C-O 3.54Å; P371-F648 WeakPolarHBondContact CA-O 3.06Å
372L98.2Very high86.6Confident0 Ų053 Ų530%028%0.284CS..SBendtrans-102.612171.7-54.4179.9000111.2V304 I327 L380 L418 L422 V424 F648V304-L372 HydrophobicContact CG2-CD2 4.32Å; I327-L372 HydrophobicContact CD1-CB 4.14Å; I327-L372 HydrophobicContact CD1-CD2 3.87Å; I327-L372 HydrophobicContact CD1-CG 4.48Å; I327-L372 HydrophobicContact CG1-CD2 4.37Å; L372-L380 PolarHBondContact O-N 3.47Å; L372-L418 HydrophobicContact CD1-CD1 4.28Å; L372-L422 HydrophobicContact CD1-CD1 3.81Å; L372-L422 HydrophobicContact CD2-CD1 4.1Å; L372-V424 HydrophobicContact CD1-CG1 3.78Å; L372-F648 HydrophobicContact CB-CD1 3.79Å; L372-F648 HydrophobicContact CB-CE1 4.22Å; L372-F648 HydrophobicContact CB-CG 4.44Å; L372-F648 HydrophobicContact CD1-CD1 4.27Å; L372-F648 HydrophobicContact CD1-CE1 4.01Å; L372-F648 HydrophobicContact CD1-CZ 4.34Å; L372-F648 PolarHBondContact N-O 3.38Å
373T96.2Very high88.4Confident4 Ų447.4 Ų47.43%0.02525%0.253CS..BIsolated β-bridgetrans-123.2160.2167.360.50000110.4K378 L636 F648T373-K378 CarbonylContact C-O 3.58Å; T373-K378 WeakPolarHBondContact CA-O 3.49Å; T373-K378 WeakPolarHBondContact CB-O 3.39Å; T373-L636 HydrophobicContact CG2-CD1 4.27Å; T373-F648 HydrophobicContact CG2-CB 4.15Å
374D94.5Very high90.5Very high25 Ų2541.7 Ų41.713%0.13421%0.213CC..  trans-71.5176.9159.95634.2000111.8W167 E376 H377 K378 L380W167-D374 VanDerWaalsContact CZ2-C 3.49Å; W167-D374 WeakPolarHBondContact CZ2-O 3.36Å; D374-E376 PolarHBondContact O-N 2.94Å; D374-E376 WeakPolarHBondContact OD1-CA 3.42Å; D374-E376 VanDerWaalsContact OD1-CB 3.32Å; D374-E376 WeakPolarHBondContact OD1-CB 3.39Å; D374-E376 PolarHBondContact OD1-N 3.42Å; D374-H377 PolarHBondContact O-N 2.82Å; D374-H377 PolarHBondContact OD1-N 2.83Å; D374-K378 PolarHBondContact N-O 3.19Å; D374-K378 WeakPolarHBondContact OD1-CB 3.25Å; D374-K378 PolarHBondContact OD1-N 3.04Å; D374-K378 WeakPolarHBondContact OD2-CB 3.4Å; D374-L380 HydrophobicContact CB-CD2 4.45Å
375S92.5Very high92.6Very high31 Ų3139.3 Ų39.322%0.21720%0.197CC..THydrogen-bonded Turntrans-61.1-17.1173.5400000113.6G163 H377G163-S375 PolarHBondContact O-OG 2.83Å; S375-H377 VanDerWaalsContact C-N 3.28Å
376E91.2Very high94.3Very high90 Ų9032.3 Ų32.342%0.42117%0.168SC..THydrogen-bonded Turntrans-880.7176.7-63.566.1-102.500111.7R164 D374 K378 R644R164-E376 IonicContact NH1-OE2 3.03Å; R164-E376 PolarHBondContact NH1-OE2 2.76Å; R164-E376 VanDerWaalsContact NH1-OE2 3.13Å; D374-E376 PolarHBondContact O-N 2.94Å; D374-E376 WeakPolarHBondContact OD1-CA 3.42Å; D374-E376 VanDerWaalsContact OD1-CB 3.32Å; D374-E376 WeakPolarHBondContact OD1-CB 3.39Å; D374-E376 PolarHBondContact OD1-N 3.42Å; E376-K378 PolarHBondContact O-N 2.77Å; E376-R644 PolarHBondContact O-NE 3.22Å; E376-R644 PolarHBondContact O-NH2 2.89Å
377H90.7Very high95.4Very high15 Ų1531.9 Ų31.97%0.06917%0.165CC..SBendtrans64.817.9-172.8-64.1-115.1000114.7D374 S375 A639 R644 L646D374-H377 PolarHBondContact O-N 2.82Å; D374-H377 PolarHBondContact OD1-N 2.83Å; S375-H377 VanDerWaalsContact C-N 3.28Å; H377-A639 HydrophobicContact CB-CB 4.15Å; H377-R644 HydrophobicContact CB-CG 4.17Å; H377-R644 VanDerWaalsContact CD2-CD 3.5Å; H377-R644 WeakPolarHBondContact CD2-CD 3.49Å; H377-L646 PolarHBondContact ND1-O 3.15Å
378K92.7Very high95.8Very high139 Ų13928.2 Ų28.260%0.60415%0.15SC*.PPolyproline II helixtrans-85.1137.8172.1168.3-168.3172.3-164.80109.3T373 D374 E376 L380T373-K378 CarbonylContact C-O 3.58Å; T373-K378 WeakPolarHBondContact CA-O 3.49Å; T373-K378 WeakPolarHBondContact CB-O 3.39Å; D374-K378 PolarHBondContact N-O 3.19Å; D374-K378 WeakPolarHBondContact OD1-CB 3.25Å; D374-K378 PolarHBondContact OD1-N 3.04Å; D374-K378 WeakPolarHBondContact OD2-CB 3.4Å; E376-K378 PolarHBondContact O-N 2.77Å; K378-L380 PolarHBondContact O-N 3.05Å
379M94.9Very high95.9Very high25 Ų2528.8 Ų28.812%0.12316%0.157CC..BIsolated β-bridgetrans-56.9132.1178.7-169.4-179.6-158.200111.7L411 K414 L415 L418 L636M379-L411 HydrophobicContact SD-CD1 3.51Å; M379-L411 VanDerWaalsContact SD-CD1 3.51Å; M379-K414 HydrophobicContact CE-CB 3.63Å; M379-K414 HydrophobicContact SD-CB 4.05Å; M379-K414 HydrophobicContact SD-CD 4.29Å; M379-L415 HydrophobicContact CE-CD2 3.95Å; M379-L415 HydrophobicContact CE-CG 4.2Å; M379-L418 HydrophobicContact CE-CD1 3.29Å; M379-L418 HydrophobicContact CE-CG 4.27Å; M379-L636 HydrophobicContact CB-CD2 4.26Å; M379-L636 HydrophobicContact SD-CD2 4.31Å
380L97.4Very high95.8Very high37 Ų3736.9 Ų36.919%0.19419%0.193CC..PPolyproline II helixtrans-60.7151.6175.8-68.7179.9000111.4V304 I327 L372 D374 K378 L382V304-L380 HydrophobicContact CG1-CD1 4.42Å; I327-L380 HydrophobicContact CD1-CB 4.02Å; I327-L380 HydrophobicContact CG1-CB 4.07Å; I327-L380 HydrophobicContact CG1-CD1 4.32Å; L372-L380 PolarHBondContact O-N 3.47Å; D374-L380 HydrophobicContact CB-CD2 4.45Å; K378-L380 PolarHBondContact O-N 3.05Å; L380-L382 PolarHBondContact O-N 3.44Å
381P97.1Very high95.6Very high73 Ų7344 Ų4447%0.47423%0.231SC..PPolyproline II helixtrans-55.3133.1174.4-25.335.1000111.8G326 I327G326-P381 CarbonylContact C-O 3.56Å; G326-P381 WeakPolarHBondContact CA-O 3.25Å; I327-P381 PolarHBondContact N-O 2.85Å
382L98.4Very high95.5Very high23 Ų2344.6 Ų44.612%0.1223%0.233CC..BIsolated β-bridgetrans-102.6102.2172.4-17164.7000108.1I327 L329 L380 A385 L409 K414 M417 L418I327-L382 HydrophobicContact CB-CD1 3.93Å; I327-L382 HydrophobicContact CG2-CD1 3.88Å; L329-L382 HydrophobicContact CD1-CD1 3.84Å; L329-L382 HydrophobicContact CG-CD1 3.9Å; L380-L382 PolarHBondContact O-N 3.44Å; L382-A385 HydrophobicContact CB-CB 4.37Å; L382-A385 HydrophobicContact CD2-CB 3.95Å; L382-A385 HydrophobicContact CG-CB 3.89Å; L382-A385 WeakPolarHBondContact O-CB 3.47Å; L382-L409 HydrophobicContact CD2-CD2 4.48Å; L382-K414 HydrophobicContact CD2-CB 4.26Å; L382-K414 HydrophobicContact CD2-CG 4.17Å; L382-M417 HydrophobicContact CD2-CB 4.26Å; L382-M417 HydrophobicContact CD2-CE 4.03Å; L382-M417 HydrophobicContact CD2-SD 3.99Å; L382-L418 HydrophobicContact CD1-CD2 4.03Å
383H98.4Very high95.2Very high16 Ų1649.3 Ų49.37%0.07426%0.255CS..THydrogen-bonded Turntrans-75.5141.7-169.1-76.6-73.4000112.7Q232 P323 G325 I327 Y328 A385Q232-H383 PolarHBondContact NE2-ND1 3.41Å; P323-H383 PolarHBondContact O-CE1 3.32Å; P323-H383 PolarHBondContact O-NE2 3.39Å; G325-H383 PolarHBondContact O-NE2 2.93Å; I327-H383 PolarHBondContact O-N 3.19Å; Y328-H383 HydrophobicContact CD1-CB 3.56Å; Y328-H383 HydrophobicContact CE1-CB 3.45Å; Y328-H383 VanDerWaalsContact CE1-CB 3.45Å; Y328-H383 AromaticContact CE1-CD2 3.59Å; Y328-H383 AromaticContact CE1-CG 3.5Å; Y328-H383 AromaticContact CE2-CD2 3.69Å; Y328-H383 HydrophobicContact CG-CB 4.33Å; Y328-H383 AromaticContact CZ-CD2 3.29Å; Y328-H383 AromaticContact CZ-CG 3.7Å; Y328-H383 AromaticContact CZ-NE2 3.81Å; Y328-H383 PolarHBondContact OH-CD2 3.23Å; Y328-H383 PolarHBondContact OH-NE2 3.19Å; H383-A385 PolarHBondContact O-N 2.87Å
384F98.4Very high95Very high5 Ų552 Ų522%0.02226%0.264CS..THydrogen-bonded Turntrans52.327.7175.7-55.7-73.7000114.1R228 W229 Q232 E289 F290 F293 Y328 V386R228-F384 HydrophobicContact CB-CB 4.13Å; R228-F384 WeakPolarHBondContact CD-O 3.48Å; R228-F384 PolarHBondContact NH1-O 2.78Å; W229-F384 HydrophobicContact CB-CE1 4.41Å; Q232-F384 HydrophobicContact CB-CD1 3.75Å; Q232-F384 HydrophobicContact CB-CE1 3.83Å; Q232-F384 HydrophobicContact CG-CD1 4.24Å; Q232-F384 HydrophobicContact CG-CE1 4.03Å; E289-F384 HydrophobicContact CG-CE2 4.24Å; E289-F384 HydrophobicContact CG-CZ 4.1Å; F290-F384 HydrophobicContact CB-CE1 4.46Å; F290-F384 HydrophobicContact CB-CE2 4.19Å; F290-F384 HydrophobicContact CB-CZ 3.81Å; F290-F384 HydrophobicContact CD2-CD1 4.17Å; F290-F384 HydrophobicContact CD2-CD2 4.31Å; F290-F384 AromaticContact CD2-CE1 3.97Å; F290-F384 HydrophobicContact CD2-CE1 3.97Å; F290-F384 HydrophobicContact CD2-CE2 4.11Å; F290-F384 HydrophobicContact CD2-CG 4.34Å; F290-F384 AromaticContact CD2-CZ 3.93Å; F290-F384 HydrophobicContact CD2-CZ 3.93Å; F290-F384 HydrophobicContact CG-CZ 4.36Å; F293-F384 HydrophobicContact CB-CD2 3.52Å; F293-F384 HydrophobicContact CB-CE2 4.01Å; F293-F384 HydrophobicContact CB-CG 4.37Å; F293-F384 HydrophobicContact CD1-CB 3.76Å; F293-F384 HydrophobicContact CD1-CD2 4.05Å; F293-F384 HydrophobicContact CD1-CG 4.05Å; F293-F384 HydrophobicContact CD2-CB 3.82Å; F293-F384 AromaticContact CD2-CD2 3.95Å; F293-F384 HydrophobicContact CD2-CD2 3.95Å; F293-F384 HydrophobicContact CD2-CG 4.33Å; F293-F384 HydrophobicContact CE1-CB 3.65Å; F293-F384 HydrophobicContact CE1-CG 4.4Å; F293-F384 HydrophobicContact CE2-CB 3.7Å; F293-F384 HydrophobicContact CG-CB 3.84Å; F293-F384 AromaticContact CG-CD2 3.58Å; F293-F384 HydrophobicContact CG-CD2 3.58Å; F293-F384 HydrophobicContact CG-CG 4Å; F293-F384 HydrophobicContact CZ-CB 3.61Å; Y328-F384 HydrophobicContact CE1-CE2 4.36Å; F384-V386 VanDerWaalsContact C-N 3.29Å; F384-V386 PolarHBondContact O-N 3.06Å
385A97.6Very high94.7Very high14 Ų1453.6 Ų53.612%0.11629%0.287CS..  trans-66.7-25.9-167.200000114.6R228 L382 H383 L409 M417R228-A385 PolarHBondContact NH1-O 3.29Å; L382-A385 HydrophobicContact CB-CB 4.37Å; L382-A385 HydrophobicContact CD2-CB 3.95Å; L382-A385 HydrophobicContact CG-CB 3.89Å; L382-A385 WeakPolarHBondContact O-CB 3.47Å; H383-A385 PolarHBondContact O-N 2.87Å; A385-L409 HydrophobicContact CB-CD2 3.41Å; A385-L409 VanDerWaalsContact CB-CD2 3.41Å; A385-M417 HydrophobicContact CB-CE 3.98Å
386V97.3Very high94.6Very high21 Ų2158.1 Ų58.113%0.12730%0.303CS..  trans-103.3123.2179.5175.90000110W231 F384 V407 L409W231-V386 HydrophobicContact CD2-CG1 4.32Å; W231-V386 HydrophobicContact CG-CG1 4.36Å; W231-V386 HydrophobicContact CZ2-CG1 4.3Å; F384-V386 VanDerWaalsContact C-N 3.29Å; F384-V386 PolarHBondContact O-N 3.06Å; V386-V407 HydrophobicContact CG1-CB 4.13Å; V386-L409 HydrophobicContact CG2-CB 3.74Å; V386-L409 HydrophobicContact CG2-CD2 4.35Å; V386-L409 HydrophobicContact CG2-CG 4.45Å
387D96.7Very high94.5Very high41 Ų4155 Ų5522%0.21929%0.289CS..  trans-98.2122.2153.3174.421.7000106.7R227 R228 G389R227-D387 VanDerWaalsContact CB-OD1 3.31Å; R227-D387 WeakPolarHBondContact CB-OD1 3.39Å; R227-D387 IonicContact CZ-OD1 3.7Å; R227-D387 IonicContact CZ-OD2 3Å; R227-D387 IonicContact NE-OD1 3.15Å; R227-D387 PolarHBondContact NE-OD1 3.34Å; R227-D387 IonicContact NE-OD2 2.71Å; R227-D387 PolarHBondContact NE-OD2 3.01Å; R227-D387 IonicContact NH2-OD1 2.71Å; R227-D387 IonicContact NH2-OD2 3.34Å; R227-D387 PolarHBondContact NH2-OD2 3.23Å; R228-D387 HydrophobicContact CG-CB 3.76Å; D387-G389 PolarHBondContact O-N 3.42Å; D387-G389 PolarHBondContact OD1-N 2.88Å
388P95.6Very high94.3Very high17 Ų1755.4 Ų55.411%0.1129%0.292CS..  trans-70.3-10.117529.7-35.9000113.4W231 W392 W394W231-P388 HydrophobicContact CB-CG 4.29Å; W231-P388 HydrophobicContact CD2-CG 4.48Å; W231-P388 HydrophobicContact CE3-CB 4.11Å; W231-P388 HydrophobicContact CE3-CG 4.12Å; W231-P388 HydrophobicContact CZ3-CB 4.48Å; P388-W392 HydrophobicContact CB-CB 3.96Å; P388-W392 HydrophobicContact CB-CD2 3.54Å; P388-W392 HydrophobicContact CB-CE3 3.67Å; P388-W392 HydrophobicContact CB-CG 3.66Å; P388-W392 HydrophobicContact CB-CZ3 4.41Å; P388-W392 HydrophobicContact CG-CB 4.33Å; P388-W392 HydrophobicContact CG-CD2 4.4Å; P388-W392 HydrophobicContact CG-CG 4.1Å; P388-W394 HydrophobicContact CG-CH2 3.87Å; P388-W394 HydrophobicContact CG-CZ2 4.07Å
389G94.7Very high93.9Very high21 Ų2153.6 Ų53.622%0.21629%0.293CS..  trans96.6170.4177.700000113.6R227 D387 D391R227-G389 WeakPolarHBondContact CD-O 3.45Å; R227-G389 PolarHBondContact NE-O 3.05Å; D387-G389 PolarHBondContact O-N 3.42Å; D387-G389 PolarHBondContact OD1-N 2.88Å; G389-D391 VanDerWaalsContact C-N 3.32Å; G389-D391 PolarHBondContact O-N 3.34Å
390K94.4Very high93.7Very high170 Ų17056 Ų5674%0.73931%0.306SS*.THydrogen-bonded Turntrans-72-27.4-176-68.6-178.3-179.9178.90113.3W392K390-W392 VanDerWaalsContact C-N 3.32Å
391D93.8Very high93.4Very high154 Ų15460.4 Ų60.482%0.82433%0.33SS*.THydrogen-bonded Turntrans-92.28.3-172.3-44.4-67.8000112.8G389G389-D391 VanDerWaalsContact C-N 3.32Å; G389-D391 PolarHBondContact O-N 3.34Å
392W94.6Very high93.1Very high15 Ų1562.1 Ų62.16%0.05734%0.339CS..  trans-78.1122.1-178.6-178.2-84.8000112.6W231 P388 K390 W394 D397 D398 M403 L404 V407W231-W392 HydrophobicContact CE3-CZ2 4.44Å; W231-W392 HydrophobicContact CH2-CH2 4.23Å; W231-W392 HydrophobicContact CH2-CZ2 4.29Å; W231-W392 AromaticContact CZ3-CH2 3.89Å; W231-W392 HydrophobicContact CZ3-CH2 3.89Å; W231-W392 AromaticContact CZ3-CZ2 3.53Å; W231-W392 HydrophobicContact CZ3-CZ2 3.53Å; P388-W392 HydrophobicContact CB-CB 3.96Å; P388-W392 HydrophobicContact CB-CD2 3.54Å; P388-W392 HydrophobicContact CB-CE3 3.67Å; P388-W392 HydrophobicContact CB-CG 3.66Å; P388-W392 HydrophobicContact CB-CZ3 4.41Å; P388-W392 HydrophobicContact CG-CB 4.33Å; P388-W392 HydrophobicContact CG-CD2 4.4Å; P388-W392 HydrophobicContact CG-CG 4.1Å; K390-W392 VanDerWaalsContact C-N 3.32Å; W392-W394 AromaticContact CD1-CD2 3.71Å; W392-W394 AromaticContact CD1-CE2 3.84Å; W392-W394 AromaticContact CD1-CE3 3.96Å; W392-W394 AromaticContact NE1-CE3 3.87Å; W392-W394 PolarHBondContact O-N 2.58Å; W392-D397 HydrophobicContact CD2-CB 3.78Å; W392-D397 VanDerWaalsContact CE2-CB 3.5Å; W392-D397 HydrophobicContact CE3-CB 4.02Å; W392-D397 HydrophobicContact CG-CB 4.47Å; W392-D397 HydrophobicContact CH2-CB 3.73Å; W392-D397 HydrophobicContact CZ2-CB 3.47Å; W392-D397 VanDerWaalsContact CZ2-CB 3.47Å; W392-D397 HydrophobicContact CZ3-CB 4.01Å; W392-D398 HydrophobicContact CZ2-CB 3.96Å; W392-M403 HydrophobicContact CE3-CE 4.45Å; W392-M403 HydrophobicContact CH2-CB 3.96Å; W392-M403 HydrophobicContact CZ3-CB 4.04Å; W392-M403 HydrophobicContact CZ3-CE 4.35Å; W392-L404 HydrophobicContact CH2-CD2 4.39Å; W392-L404 HydrophobicContact CZ2-CD2 4.47Å; W392-V407 HydrophobicContact CE3-CG1 4.3Å; W392-V407 HydrophobicContact CH2-CG2 3.98Å; W392-V407 HydrophobicContact CZ3-CG1 3.86Å; W392-V407 HydrophobicContact CZ3-CG2 3.87Å
393E92.7Very high92.7Very high99 Ų9964.1 Ų64.146%0.46335%0.348SS..  trans-92.792.9-178.8-64.4-161.5-172.700112.2G395 K396 D397E393-G395 PolarHBondContact O-N 2.97Å; E393-K396 HydrophobicContact CB-CB 4.39Å; E393-K396 HydrophobicContact CB-CD 4.34Å; E393-K396 PolarHBondContact O-N 3.5Å; E393-K396 VanDerWaalsContact O-N 3.07Å; E393-K396 VanDerWaalsContact OE2-CD 3.29Å; E393-K396 WeakPolarHBondContact OE2-CD 3.4Å; E393-K396 VanDerWaalsContact OE2-CE 3.27Å; E393-K396 WeakPolarHBondContact OE2-CE 3.31Å; E393-K396 IonicContact OE2-NZ 3.14Å; E393-K396 PolarHBondContact OE2-NZ 2.81Å; E393-D397 PolarHBondContact N-OD2 3.41Å; E393-D397 PolarHBondContact O-N 2.92Å
394W91.6Very high92.2Very high60 Ų6065.2 Ų65.223%0.22736%0.355CS..THydrogen-bonded Turntrans-54.5136.2174.4-51.193.9000112.4R227 R230 W231 P388 W392 K396R227-W394 HydrophobicContact CG-CZ2 4.4Å; R230-W394 HydrophobicContact CB-CH2 3.93Å; R230-W394 HydrophobicContact CB-CZ2 4.29Å; R230-W394 HydrophobicContact CB-CZ3 4.39Å; R230-W394 HydrophobicContact CG-CD2 4.44Å; R230-W394 HydrophobicContact CG-CE3 4.1Å; R230-W394 HydrophobicContact CG-CH2 3.67Å; R230-W394 HydrophobicContact CG-CZ2 4.03Å; R230-W394 HydrophobicContact CG-CZ3 3.7Å; R230-W394 VanDerWaalsContact NE-CD2 3.27Å; R230-W394 VanDerWaalsContact NH2-CB 3.31Å; W231-W394 HydrophobicContact CB-CH2 4.15Å; W231-W394 HydrophobicContact CE3-CZ3 4.46Å; P388-W394 HydrophobicContact CG-CH2 3.87Å; P388-W394 HydrophobicContact CG-CZ2 4.07Å; W392-W394 AromaticContact CD1-CD2 3.71Å; W392-W394 AromaticContact CD1-CE2 3.84Å; W392-W394 AromaticContact CD1-CE3 3.96Å; W392-W394 AromaticContact NE1-CE3 3.87Å; W392-W394 PolarHBondContact O-N 2.58Å; W394-K396 VanDerWaalsContact C-N 3.28Å
395G88.1Confident91.7Very high60 Ų6068.2 Ų68.262%0.61938%0.38SS*.THydrogen-bonded Turntrans85.8-9-174.700000114.2E393 D398E393-G395 PolarHBondContact O-N 2.97Å; G395-D398 VanDerWaalsContact CA-OD1 3.25Å; G395-D398 WeakPolarHBondContact CA-OD1 3.37Å; G395-D398 PolarHBondContact N-OD1 3.16Å
396K89.6Confident91.1Very high125 Ų12571.7 Ų71.754%0.54340%0.403SS..THydrogen-bonded Turntrans-118.5-65.1173.4-58-177.2-164.7168.40110.9E393 W394 D398 T399 D400E393-K396 HydrophobicContact CB-CB 4.39Å; E393-K396 HydrophobicContact CB-CD 4.34Å; E393-K396 PolarHBondContact O-N 3.5Å; E393-K396 VanDerWaalsContact O-N 3.07Å; E393-K396 VanDerWaalsContact OE2-CD 3.29Å; E393-K396 WeakPolarHBondContact OE2-CD 3.4Å; E393-K396 VanDerWaalsContact OE2-CE 3.27Å; E393-K396 WeakPolarHBondContact OE2-CE 3.31Å; E393-K396 IonicContact OE2-NZ 3.14Å; E393-K396 PolarHBondContact OE2-NZ 2.81Å; W394-K396 VanDerWaalsContact C-N 3.28Å; K396-D398 PolarHBondContact O-N 3.47Å; K396-T399 WeakPolarHBondContact O-CA 3.34Å; K396-T399 WeakPolarHBondContact O-CB 3.37Å; K396-T399 PolarHBondContact O-N 3.47Å; K396-T399 PolarHBondContact O-OG1 3.35Å; K396-D400 PolarHBondContact O-N 2.66Å
397D90.6Very high90.7Very high25 Ų2572 Ų7213%0.13441%0.405CS..THydrogen-bonded Turntrans-66.2-26.3-171.3-64.9-10000111.8W392 E393 T399 D400 M403W392-D397 HydrophobicContact CD2-CB 3.78Å; W392-D397 VanDerWaalsContact CE2-CB 3.5Å; W392-D397 HydrophobicContact CE3-CB 4.02Å; W392-D397 HydrophobicContact CG-CB 4.47Å; W392-D397 HydrophobicContact CH2-CB 3.73Å; W392-D397 HydrophobicContact CZ2-CB 3.47Å; W392-D397 VanDerWaalsContact CZ2-CB 3.47Å; W392-D397 HydrophobicContact CZ3-CB 4.01Å; E393-D397 PolarHBondContact N-OD2 3.41Å; E393-D397 PolarHBondContact O-N 2.92Å; D397-T399 PolarHBondContact O-N 3.23Å; D397-D400 PolarHBondContact O-N 3.12Å; D397-M403 HydrophobicContact CB-CB 4.02Å; D397-M403 HydrophobicContact CB-CE 4.17Å; D397-M403 HydrophobicContact CB-CG 4.21Å; D397-M403 WeakPolarHBondContact O-CB 3.4Å; D397-M403 WeakPolarHBondContact OD2-CE 3.27Å
398D85.6Confident90.3Very high23 Ų2373.2 Ų73.212%0.12342%0.421CS..THydrogen-bonded Turntrans-80.1-3.7175.481.8-79.6000113.4K238 W392 G395 K396 L404K238-D398 WeakPolarHBondContact CE-OD2 3.46Å; K238-D398 PolarHBondContact NZ-O 3Å; K238-D398 IonicContact NZ-OD2 3.96Å; K238-D398 PolarHBondContact NZ-OD2 2.89Å; W392-D398 HydrophobicContact CZ2-CB 3.96Å; G395-D398 VanDerWaalsContact CA-OD1 3.25Å; G395-D398 WeakPolarHBondContact CA-OD1 3.37Å; G395-D398 PolarHBondContact N-OD1 3.16Å; K396-D398 PolarHBondContact O-N 3.47Å; D398-L404 HydrophobicContact CB-CD2 4.41Å
399T85.4Confident90.1Very high101 Ų10174.7 Ų74.762%0.6243%0.428SS*.THydrogen-bonded Turntrans-102.8-16.1168.172.20000112.9K396 D397K396-T399 WeakPolarHBondContact O-CA 3.34Å; K396-T399 WeakPolarHBondContact O-CB 3.37Å; K396-T399 PolarHBondContact O-N 3.47Å; K396-T399 PolarHBondContact O-OG1 3.35Å; D397-T399 PolarHBondContact O-N 3.23Å
400D90.1Very high90.1Very high75 Ų7575.9 Ų75.940%0.40143%0.433SS..  trans-86.2115.6175.9-171.2-20000110.8K396 D397 V402 M403 L404K396-D400 PolarHBondContact O-N 2.66Å; D397-D400 PolarHBondContact O-N 3.12Å; D400-V402 PolarHBondContact O-N 2.85Å; D400-V402 WeakPolarHBondContact OD1-CB 3.42Å; D400-V402 PolarHBondContact OD1-N 3.12Å; D400-M403 HydrophobicContact CB-CB 4.1Å; D400-M403 HydrophobicContact CB-CG 4.03Å; D400-M403 PolarHBondContact O-N 2.8Å; D400-L404 WeakPolarHBondContact O-CB 3.49Å; D400-L404 WeakPolarHBondContact O-CG 3.37Å; D400-L404 PolarHBondContact O-N 2.72Å
401N89.9Confident90Very high131 Ų13169.9 Ų69.970%0.70141%0.408SS*.Hα-helixtrans-60-27.7178-66.1-59.8000113.3A405N401-A405 WeakPolarHBondContact O-CB 3.46Å; N401-A405 PolarHBondContact O-N 3.01Å
402V91.4Very high90Very high108 Ų10864.4 Ų64.466%0.65538%0.378SS*.Hα-helixtrans-73.2-45.4177.4-175.20000110.3D400 A405 S406D400-V402 PolarHBondContact O-N 2.85Å; D400-V402 WeakPolarHBondContact OD1-CB 3.42Å; D400-V402 PolarHBondContact OD1-N 3.12Å; V402-A405 PolarHBondContact O-N 2.78Å; V402-S406 PolarHBondContact O-N 3.05Å
403M89.7Confident90.1Very high65 Ų6564.5 Ų64.532%0.3238%0.382SS..Hα-helixtrans-64.5-47.2175.9-67.2-62.4-77.300110.8W392 D397 D400 A405 S406 V407W392-M403 HydrophobicContact CE3-CE 4.45Å; W392-M403 HydrophobicContact CH2-CB 3.96Å; W392-M403 HydrophobicContact CZ3-CB 4.04Å; W392-M403 HydrophobicContact CZ3-CE 4.35Å; D397-M403 HydrophobicContact CB-CB 4.02Å; D397-M403 HydrophobicContact CB-CE 4.17Å; D397-M403 HydrophobicContact CB-CG 4.21Å; D397-M403 WeakPolarHBondContact O-CB 3.4Å; D397-M403 WeakPolarHBondContact OD2-CE 3.27Å; D400-M403 HydrophobicContact CB-CB 4.1Å; D400-M403 HydrophobicContact CB-CG 4.03Å; D400-M403 PolarHBondContact O-N 2.8Å; M403-A405 VanDerWaalsContact C-N 3.33Å; M403-A405 PolarHBondContact O-N 3.5Å; M403-S406 WeakPolarHBondContact O-CB 3.38Å; M403-S406 PolarHBondContact O-N 2.79Å; M403-S406 VanDerWaalsContact O-N 3.11Å; M403-S406 PolarHBondContact O-OG 3.27Å; M403-V407 PolarHBondContact O-N 3.42Å
404L88.3Confident90.2Very high40 Ų4063.2 Ų63.221%0.20938%0.375CS..Hα-helixtrans-55.3-44.1172.8-71.9177.4000112.6W231 W392 D398 D400 S406 V407 A408W231-L404 HydrophobicContact CH2-CD2 3.73Å; W231-L404 HydrophobicContact CZ3-CD2 4.19Å; W392-L404 HydrophobicContact CH2-CD2 4.39Å; W392-L404 HydrophobicContact CZ2-CD2 4.47Å; D398-L404 HydrophobicContact CB-CD2 4.41Å; D400-L404 WeakPolarHBondContact O-CB 3.49Å; D400-L404 WeakPolarHBondContact O-CG 3.37Å; D400-L404 PolarHBondContact O-N 2.72Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.78Å; L404-V407 WeakPolarHBondContact O-CG2 3.49Å; L404-V407 PolarHBondContact O-N 3.37Å; L404-A408 PolarHBondContact O-N 3.1Å; L404-A408 VanDerWaalsContact O-N 3.16Å
405A87.1Confident90.5Very high67 Ų6760.3 Ų60.355%0.55436%0.364SS*.Hα-helixtrans-67.3-32.1177.900000112.8N401 V402 M403 V407 A408N401-A405 WeakPolarHBondContact O-CB 3.46Å; N401-A405 PolarHBondContact O-N 3.01Å; V402-A405 PolarHBondContact O-N 2.78Å; M403-A405 VanDerWaalsContact C-N 3.33Å; M403-A405 PolarHBondContact O-N 3.5Å; A405-V407 VanDerWaalsContact C-N 3.3Å; A405-V407 PolarHBondContact O-N 2.89Å; A405-A408 WeakPolarHBondContact O-CB 3.4Å; A405-A408 PolarHBondContact O-N 3.3Å
406S86.4Confident90.9Very high87 Ų8760.2 Ų60.261%0.60835%0.347SS*.Hα-helixtrans-65.7-31.6178.779.40000113.2V402 M403 L404V402-S406 PolarHBondContact O-N 3.05Å; M403-S406 WeakPolarHBondContact O-CB 3.38Å; M403-S406 PolarHBondContact O-N 2.79Å; M403-S406 VanDerWaalsContact O-N 3.11Å; M403-S406 PolarHBondContact O-OG 3.27Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.78Å
407V88.4Confident91.3Very high28 Ų2855.7 Ų55.717%0.1733%0.329CS..THydrogen-bonded Turntrans-99.72.9177.2-59.70000113.4W231 V386 W392 M403 L404 A405 L409W231-V407 HydrophobicContact CH2-CG2 3.32Å; W231-V407 HydrophobicContact CZ2-CG2 3.66Å; W231-V407 HydrophobicContact CZ3-CG2 4.07Å; V386-V407 HydrophobicContact CG1-CB 4.13Å; W392-V407 HydrophobicContact CE3-CG1 4.3Å; W392-V407 HydrophobicContact CH2-CG2 3.98Å; W392-V407 HydrophobicContact CZ3-CG1 3.86Å; W392-V407 HydrophobicContact CZ3-CG2 3.87Å; M403-V407 PolarHBondContact O-N 3.42Å; L404-V407 WeakPolarHBondContact O-CG2 3.49Å; L404-V407 PolarHBondContact O-N 3.37Å; A405-V407 VanDerWaalsContact C-N 3.3Å; A405-V407 PolarHBondContact O-N 2.89Å; V407-L409 PolarHBondContact O-N 3.23Å
408A88.7Confident91.7Very high67 Ų6754.5 Ų54.555%0.55432%0.322SS*.  trans-70.5117.8-178.800000111.8L404 A405 S410L404-A408 PolarHBondContact O-N 3.1Å; L404-A408 VanDerWaalsContact O-N 3.16Å; A405-A408 WeakPolarHBondContact O-CB 3.4Å; A405-A408 PolarHBondContact O-N 3.3Å; A408-S410 PolarHBondContact O-N 3.09Å; A408-S410 VanDerWaalsContact O-N 3.14Å
409L91.7Very high92.3Very high47 Ų4755.3 Ų55.325%0.24633%0.325CS..  trans-80.9100.9-172.1-165.571.7000112.8L382 A385 V386 V407 A413 K414 M417L382-L409 HydrophobicContact CD2-CD2 4.48Å; A385-L409 HydrophobicContact CB-CD2 3.41Å; A385-L409 VanDerWaalsContact CB-CD2 3.41Å; V386-L409 HydrophobicContact CG2-CB 3.74Å; V386-L409 HydrophobicContact CG2-CD2 4.35Å; V386-L409 HydrophobicContact CG2-CG 4.45Å; V407-L409 PolarHBondContact O-N 3.23Å; L409-A413 HydrophobicContact CD1-CB 3.56Å; L409-A413 HydrophobicContact CG-CB 4.18Å; L409-K414 HydrophobicContact CD2-CD 4.4Å; L409-K414 HydrophobicContact CD2-CG 3.56Å; L409-K414 HydrophobicContact CG-CG 3.84Å; L409-K414 WeakPolarHBondContact O-CE 3.26Å; L409-M417 HydrophobicContact CD1-SD 3.92Å; L409-M417 HydrophobicContact CD2-SD 3.91Å; L409-M417 HydrophobicContact CG-SD 4.49Å
410S93.4Very high92.9Very high46 Ų4652.8 Ų52.832%0.32231%0.31SS..  trans-63.3164.3177.896.30000113.3A408 E412 A413 K414A408-S410 PolarHBondContact O-N 3.09Å; A408-S410 VanDerWaalsContact O-N 3.14Å; S410-E412 VanDerWaalsContact C-N 3.3Å; S410-E412 WeakPolarHBondContact CB-OE2 3.5Å; S410-E412 PolarHBondContact O-N 3.09Å; S410-E412 PolarHBondContact OG-N 3.1Å; S410-E412 PolarHBondContact OG-OE2 2.75Å; S410-A413 PolarHBondContact O-N 3.05Å; S410-A413 PolarHBondContact OG-N 3.07Å; S410-K414 WeakPolarHBondContact O-CG 3.11Å; S410-K414 PolarHBondContact O-N 3.04Å
411L92.8Very high93.3Very high44 Ų4450.3 Ų50.323%0.2330%0.295CS..Hα-helixtrans-65.4-36.4179.4-172.259.6000111.9M379 K414 L415 L633 L636M379-L411 HydrophobicContact SD-CD1 3.51Å; M379-L411 VanDerWaalsContact SD-CD1 3.51Å; L411-K414 PolarHBondContact O-N 2.92Å; L411-L415 HydrophobicContact CG-CD1 4.4Å; L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.47Å; L411-L633 HydrophobicContact CB-CD1 4.19Å; L411-L633 HydrophobicContact CD2-CD1 3.88Å; L411-L633 HydrophobicContact CG-CD1 3.94Å; L411-L636 HydrophobicContact CD1-CD2 3.87Å; L411-L636 HydrophobicContact CD2-CD2 4.15Å; L411-L636 HydrophobicContact CG-CD2 4.28Å
412E94.7Very high93.6Very high39 Ų3944.1 Ų44.118%0.18226%0.262CS..Hα-helixtrans-62.4-42.7174.4-56.671.3-157.200111.1S410 L415 Q416 Y625 L633 R637S410-E412 VanDerWaalsContact C-N 3.3Å; S410-E412 WeakPolarHBondContact CB-OE2 3.5Å; S410-E412 PolarHBondContact O-N 3.09Å; S410-E412 PolarHBondContact OG-N 3.1Å; S410-E412 PolarHBondContact OG-OE2 2.75Å; E412-L415 PolarHBondContact O-N 3.12Å; E412-Q416 WeakPolarHBondContact O-CB 3.36Å; E412-Q416 PolarHBondContact O-N 3.19Å; E412-Y625 HydrophobicContact CB-CD2 4.09Å; E412-Y625 HydrophobicContact CB-CE1 4.44Å; E412-Y625 HydrophobicContact CB-CE2 3.82Å; E412-L633 HydrophobicContact CG-CD1 3.88Å; E412-L633 HydrophobicContact CG-CD2 3.6Å; E412-L633 HydrophobicContact CG-CG 4.32Å; E412-L633 VanDerWaalsContact OE1-CD1 3.27Å; E412-L633 WeakPolarHBondContact OE1-CD1 3.3Å; E412-R637 IonicContact OE1-CZ 3.76Å; E412-R637 IonicContact OE1-NH2 3.79Å; E412-R637 PolarHBondContact OE1-NH2 2.81Å
413A95.1Very high93.9Very high18 Ų1841.7 Ų41.715%0.14925%0.247CC..Hα-helixtrans-65.4-44.4175.700000111.8L409 S410 L415 Q416 M417L409-A413 HydrophobicContact CD1-CB 3.56Å; L409-A413 HydrophobicContact CG-CB 4.18Å; S410-A413 PolarHBondContact O-N 3.05Å; S410-A413 PolarHBondContact OG-N 3.07Å; A413-L415 PolarHBondContact O-N 3.05Å; A413-Q416 PolarHBondContact O-N 3.11Å; A413-M417 VanDerWaalsContact O-CG 3.27Å; A413-M417 WeakPolarHBondContact O-CG 3.5Å; A413-M417 PolarHBondContact O-N 2.92Å
414K96.8Very high94.2Very high71 Ų7140 Ų4031%0.30924%0.241SC..Hα-helixtrans-59.2-45.4174.3-67.6172-177.1172.70111.8M379 L382 L409 S410 L411 M417 L418M379-K414 HydrophobicContact CE-CB 3.63Å; M379-K414 HydrophobicContact SD-CB 4.05Å; M379-K414 HydrophobicContact SD-CD 4.29Å; L382-K414 HydrophobicContact CD2-CB 4.26Å; L382-K414 HydrophobicContact CD2-CG 4.17Å; L409-K414 HydrophobicContact CD2-CD 4.4Å; L409-K414 HydrophobicContact CD2-CG 3.56Å; L409-K414 HydrophobicContact CG-CG 3.84Å; L409-K414 WeakPolarHBondContact O-CE 3.26Å; S410-K414 WeakPolarHBondContact O-CG 3.11Å; S410-K414 PolarHBondContact O-N 3.04Å; L411-K414 PolarHBondContact O-N 2.92Å; K414-M417 PolarHBondContact O-N 3.39Å; K414-L418 WeakPolarHBondContact O-CG 3.38Å; K414-L418 PolarHBondContact O-N 2.97Å
415L97.1Very high94.6Very high0 Ų040.3 Ų40.30%024%0.244CC..Hα-helixtrans-64.6-41.4176.8-74.4171.5000112M379 L411 E412 A413 M417 L418 H419 V629 L633 L636 F648M379-L415 HydrophobicContact CE-CD2 3.95Å; M379-L415 HydrophobicContact CE-CG 4.2Å; L411-L415 HydrophobicContact CG-CD1 4.4Å; L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.47Å; E412-L415 PolarHBondContact O-N 3.12Å; A413-L415 PolarHBondContact O-N 3.05Å; L415-M417 VanDerWaalsContact C-N 3.32Å; L415-M417 PolarHBondContact O-N 3.49Å; L415-L418 PolarHBondContact O-N 2.97Å; L415-H419 WeakPolarHBondContact O-CB 3.19Å; L415-H419 PolarHBondContact O-CD2 3.18Å; L415-H419 VanDerWaalsContact O-CD2 3.3Å; L415-H419 PolarHBondContact O-N 2.83Å; L415-V629 HydrophobicContact CB-CG1 4.01Å; L415-L633 HydrophobicContact CD1-CB 3.84Å; L415-L633 HydrophobicContact CD1-CD1 4.02Å; L415-L636 HydrophobicContact CD1-CD2 4.37Å; L415-L636 HydrophobicContact CD2-CD2 4.3Å; L415-F648 HydrophobicContact CD2-CD1 4.41Å; L415-F648 HydrophobicContact CD2-CE1 3.63Å; L415-F648 HydrophobicContact CD2-CZ 3.87Å
416Q97.3Very high94.9Very high57 Ų5739.5 Ų39.527%0.26623%0.227SC..Hα-helixtrans-59.8-41.1173-178.963.761.500111.4E412 A413 H419 T420 Y625 V629E412-Q416 WeakPolarHBondContact O-CB 3.36Å; E412-Q416 PolarHBondContact O-N 3.19Å; A413-Q416 PolarHBondContact O-N 3.11Å; Q416-H419 PolarHBondContact O-N 2.95Å; Q416-T420 PolarHBondContact NE2-OG1 2.84Å; Q416-T420 VanDerWaalsContact NE2-OG1 3.14Å; Q416-T420 VanDerWaalsContact O-CB 3.26Å; Q416-T420 WeakPolarHBondContact O-CB 3.25Å; Q416-T420 PolarHBondContact O-N 2.96Å; Q416-T420 PolarHBondContact O-OG1 3.19Å; Q416-Y625 HydrophobicContact CB-CD1 3.88Å; Q416-Y625 HydrophobicContact CB-CE1 4.02Å; Q416-Y625 HydrophobicContact CG-CD1 4.07Å; Q416-Y625 HydrophobicContact CG-CE1 4.31Å; Q416-V629 HydrophobicContact CB-CG1 4.47Å; Q416-V629 HydrophobicContact CB-CG2 4.21Å
417M97.8Very high95.3Very high31 Ų3135.7 Ų35.715%0.15320%0.2CC..Hα-helixtrans-62.9-45.3176.2-67.2165.277.800111.8L329 L331 L382 A385 L409 A413 K414 L415 T420 Y421L329-M417 HydrophobicContact CD1-CB 4.12Å; L331-M417 HydrophobicContact CD1-CE 3.45Å; L331-M417 VanDerWaalsContact CD1-CE 3.45Å; L331-M417 HydrophobicContact CD2-CE 3.52Å; L331-M417 HydrophobicContact CG-CE 4.15Å; L382-M417 HydrophobicContact CD2-CB 4.26Å; L382-M417 HydrophobicContact CD2-CE 4.03Å; L382-M417 HydrophobicContact CD2-SD 3.99Å; A385-M417 HydrophobicContact CB-CE 3.98Å; L409-M417 HydrophobicContact CD1-SD 3.92Å; L409-M417 HydrophobicContact CD2-SD 3.91Å; L409-M417 HydrophobicContact CG-SD 4.49Å; A413-M417 VanDerWaalsContact O-CG 3.27Å; A413-M417 WeakPolarHBondContact O-CG 3.5Å; A413-M417 PolarHBondContact O-N 2.92Å; K414-M417 PolarHBondContact O-N 3.39Å; L415-M417 VanDerWaalsContact C-N 3.32Å; L415-M417 PolarHBondContact O-N 3.49Å; M417-T420 WeakPolarHBondContact O-CB 3.05Å; M417-T420 PolarHBondContact O-N 3.48Å; M417-T420 VanDerWaalsContact O-N 3.08Å; M417-Y421 WeakPolarHBondContact O-CD2 3.45Å; M417-Y421 PolarHBondContact O-N 3.34Å
418L98.3Very high95.5Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-64.1-45.7175.8-62.8177000112I327 L329 L372 M379 L382 K414 L415 T420 Y421 L422 V424 F648I327-L418 HydrophobicContact CD1-CD1 4.23Å; I327-L418 HydrophobicContact CD1-CD2 3.83Å; I327-L418 HydrophobicContact CG2-CD2 3.92Å; L329-L418 HydrophobicContact CD1-CD2 4.3Å; L372-L418 HydrophobicContact CD1-CD1 4.28Å; M379-L418 HydrophobicContact CE-CD1 3.29Å; M379-L418 HydrophobicContact CE-CG 4.27Å; L382-L418 HydrophobicContact CD1-CD2 4.03Å; K414-L418 WeakPolarHBondContact O-CG 3.38Å; K414-L418 PolarHBondContact O-N 2.97Å; L415-L418 PolarHBondContact O-N 2.97Å; L418-T420 PolarHBondContact O-N 3.01Å; L418-Y421 PolarHBondContact O-N 2.91Å; L418-L422 HydrophobicContact CB-CD1 4.48Å; L418-L422 HydrophobicContact CD2-CD1 3.65Å; L418-L422 WeakPolarHBondContact O-CB 3.44Å; L418-L422 PolarHBondContact O-N 2.89Å; L418-V424 HydrophobicContact CB-CG1 4.4Å; L418-F648 HydrophobicContact CD1-CE1 3.73Å; L418-F648 HydrophobicContact CD1-CZ 4.46Å
419H97.5Very high95.5Very high39 Ų3937 Ų3718%0.18120%0.201CC..Hα-helixtrans-60.9-23172-86.6-86000113R340 L415 Q416 V424 D628 V629 S632R340-H419 PolarHBondContact NH2-O 3.27Å; L415-H419 WeakPolarHBondContact O-CB 3.19Å; L415-H419 PolarHBondContact O-CD2 3.18Å; L415-H419 VanDerWaalsContact O-CD2 3.3Å; L415-H419 PolarHBondContact O-N 2.83Å; Q416-H419 PolarHBondContact O-N 2.95Å; H419-V424 WeakPolarHBondContact CE1-CG2 3.36Å; H419-D628 PolarHBondContact NE2-O 2.95Å; H419-V629 HydrophobicContact CB-CG2 4.02Å; H419-S632 PolarHBondContact NE2-OG 3.05Å
420T97.8Very high94.9Very high49 Ų4938.7 Ų38.730%0.30122%0.215SC..Hα-helixtrans-84-35.3178-56.90000112.4A335 R340 Q416 M417 L418A335-T420 HydrophobicContact CB-CG2 3.81Å; R340-T420 PolarHBondContact NH1-O 3.07Å; Q416-T420 PolarHBondContact NE2-OG1 2.84Å; Q416-T420 VanDerWaalsContact NE2-OG1 3.14Å; Q416-T420 VanDerWaalsContact O-CB 3.26Å; Q416-T420 WeakPolarHBondContact O-CB 3.25Å; Q416-T420 PolarHBondContact O-N 2.96Å; Q416-T420 PolarHBondContact O-OG1 3.19Å; M417-T420 WeakPolarHBondContact O-CB 3.05Å; M417-T420 PolarHBondContact O-N 3.48Å; M417-T420 VanDerWaalsContact O-N 3.08Å; L418-T420 PolarHBondContact O-N 3.01Å
421Y98.3Very high93.5Very high23 Ų2342 Ų429%0.0924%0.237CC..Hα-helixtrans-109.5-16.6-174.1-74.1-88.2000116L329 P330 L331 V333 A335 C338 R340 M417 L418L329-Y421 HydrophobicContact CB-CG 4.48Å; L329-Y421 HydrophobicContact CD1-CD2 4.01Å; L329-Y421 HydrophobicContact CD1-CG 4.26Å; P330-Y421 HydrophobicContact CG-CD1 3.95Å; P330-Y421 HydrophobicContact CG-CE1 4.06Å; P330-Y421 WeakPolarHBondContact O-CE1 3.27Å; L331-Y421 HydrophobicContact CD2-CD2 4.12Å; L331-Y421 HydrophobicContact CD2-CE2 3.64Å; L331-Y421 PolarHBondContact O-OH 2.71Å; V333-Y421 WeakPolarHBondContact O-CE1 3.22Å; V333-Y421 PolarHBondContact O-OH 3.19Å; V333-Y421 VanDerWaalsContact O-OH 3.12Å; A335-Y421 HydrophobicContact CB-CD1 3.76Å; A335-Y421 HydrophobicContact CB-CD2 4.45Å; A335-Y421 HydrophobicContact CB-CE1 3.55Å; A335-Y421 HydrophobicContact CB-CE2 4.27Å; A335-Y421 HydrophobicContact CB-CG 4.2Å; C338-Y421 HydrophobicContact CB-CD1 4.44Å; R340-Y421 WeakPolarHBondContact CA-O 3.33Å; M417-Y421 WeakPolarHBondContact O-CD2 3.45Å; M417-Y421 PolarHBondContact O-N 3.34Å; L418-Y421 PolarHBondContact O-N 2.91Å
422L98.1Very high91.6Very high0 Ų048.3 Ų48.30%027%0.265CS..SBendtrans-121.7152.9-176.2-67.3170.5000112.7P302 I327 L329 R340 P342 L372 L418 V424P302-L422 HydrophobicContact CB-CD2 3.58Å; P302-L422 HydrophobicContact CB-CG 4.46Å; P302-L422 HydrophobicContact CG-CD2 3.78Å; P302-L422 HydrophobicContact CG-CG 4.45Å; I327-L422 HydrophobicContact CG2-CD1 4.48Å; L329-L422 HydrophobicContact CD2-CG 4.37Å; R340-L422 PolarHBondContact NH2-O 3.1Å; R340-L422 WeakPolarHBondContact O-CA 3.06Å; P342-L422 HydrophobicContact CB-CD2 3.91Å; P342-L422 HydrophobicContact CG-CD2 3.84Å; L372-L422 HydrophobicContact CD1-CD1 3.81Å; L372-L422 HydrophobicContact CD2-CD1 4.1Å; L418-L422 HydrophobicContact CB-CD1 4.48Å; L418-L422 HydrophobicContact CD2-CD1 3.65Å; L418-L422 WeakPolarHBondContact O-CB 3.44Å; L418-L422 PolarHBondContact O-N 2.89Å; L422-V424 HydrophobicContact CB-CG1 3.76Å; L422-V424 PolarHBondContact O-N 2.8Å
423T96.4Very high89.2Confident57 Ų5755.4 Ų55.435%0.3530%0.298SS..  trans-85.386.2166.5-59.50000109.2R340 S650 L651R340-T423 WeakPolarHBondContact CB-OG1 3.39Å; R340-T423 PolarHBondContact O-N 3.3Å; R340-T423 VanDerWaalsContact O-N 3.13Å; T423-S650 PolarHBondContact O-OG 3.33Å; T423-L651 HydrophobicContact CG2-CB 4.19Å; T423-L651 HydrophobicContact CG2-CD2 4.33Å; T423-L651 PolarHBondContact O-N 2.96Å
424V96.8Very high86.6Confident31 Ų3158 Ų5819%0.18832%0.32CS..EExtended strand (participates in β ladder)trans-85152.9-174.9-55.80000113.3L372 L418 H419 L422 F648 A649L372-V424 HydrophobicContact CD1-CG1 3.78Å; L418-V424 HydrophobicContact CB-CG1 4.4Å; H419-V424 WeakPolarHBondContact CE1-CG2 3.36Å; L422-V424 HydrophobicContact CB-CG1 3.76Å; L422-V424 PolarHBondContact O-N 2.8Å; V424-F648 HydrophobicContact CB-CE2 3.73Å; V424-F648 HydrophobicContact CB-CZ 4Å; V424-F648 HydrophobicContact CG1-CE2 4.24Å; V424-F648 HydrophobicContact CG1-CZ 3.99Å; V424-F648 HydrophobicContact CG2-CE2 3.93Å; V424-F648 HydrophobicContact CG2-CZ 4.2Å; V424-A649 CarbonylContact C-O 3.5Å; V424-A649 VanDerWaalsContact CA-O 3.28Å; V424-A649 WeakPolarHBondContact CA-O 3.46Å
425T95.4Very high83.9Confident45 Ų4560.6 Ų60.628%0.27634%0.344SS..EExtended strand (participates in β ladder)trans-146164.8178.8-170.50000111.1L427 A649T425-L427 HydrophobicContact CG2-CD2 3.92Å; T425-L427 HydrophobicContact CG2-CG 4.39Å; T425-A649 HydrophobicContact CG2-CB 4.06Å; T425-A649 PolarHBondContact N-O 3.32Å; T425-A649 PolarHBondContact O-N 3.28Å
426W94.9Very high81.2Confident51 Ų5168.5 Ų68.519%0.19339%0.385CS..EExtended strand (participates in β ladder)trans-119.6112175.1-76.1101.1000109.6S632 I635 L636 L646 I647 F648W426-S632 WeakPolarHBondContact CZ2-O 3.45Å; W426-S632 PolarHBondContact NE1-OG 3.05Å; W426-I635 HydrophobicContact CD2-CD1 3.92Å; W426-I635 HydrophobicContact CD2-CG2 4.16Å; W426-I635 HydrophobicContact CE3-CD1 4.5Å; W426-I635 HydrophobicContact CE3-CG2 3.67Å; W426-I635 HydrophobicContact CG-CD1 4.11Å; W426-I635 HydrophobicContact CH2-CB 3.83Å; W426-I635 HydrophobicContact CH2-CG2 3.48Å; W426-I635 VanDerWaalsContact CH2-CG2 3.48Å; W426-I635 HydrophobicContact CZ2-CB 3.96Å; W426-I635 HydrophobicContact CZ2-CD1 4.27Å; W426-I635 HydrophobicContact CZ2-CG2 4.04Å; W426-I635 HydrophobicContact CZ3-CB 4.14Å; W426-I635 HydrophobicContact CZ3-CG2 3.28Å; W426-L636 HydrophobicContact CH2-CB 4.27Å; W426-L646 HydrophobicContact CB-CD1 4.32Å; W426-L646 HydrophobicContact CE3-CB 3.66Å; W426-L646 HydrophobicContact CE3-CD1 4.39Å; W426-L646 HydrophobicContact CZ3-CB 4.23Å; W426-I647 WeakPolarHBondContact CA-O 3.45Å; W426-F648 HydrophobicContact CD2-CB 4.4Å; W426-F648 AromaticContact CD2-CD2 3.87Å; W426-F648 HydrophobicContact CD2-CD2 3.87Å; W426-F648 AromaticContact CE2-CD2 3.43Å; W426-F648 VanDerWaalsContact CE2-CD2 3.43Å; W426-F648 AromaticContact CE2-CE2 3.99Å; W426-F648 HydrophobicContact CE3-CB 3.92Å; W426-F648 HydrophobicContact CE3-CD2 4.27Å; W426-F648 HydrophobicContact CG-CD2 4.46Å; W426-F648 HydrophobicContact CH2-CB 3.59Å; W426-F648 HydrophobicContact CH2-CD2 4.01Å; W426-F648 AromaticContact CH2-CG 3.9Å; W426-F648 HydrophobicContact CH2-CG 3.9Å; W426-F648 HydrophobicContact CZ2-CB 4.03Å; W426-F648 AromaticContact CZ2-CD2 3.5Å; W426-F648 HydrophobicContact CZ2-CD2 3.5Å; W426-F648 VanDerWaalsContact CZ2-CD2 3.5Å; W426-F648 HydrophobicContact CZ2-CE2 4.08Å; W426-F648 AromaticContact CZ2-CG 3.83Å; W426-F648 HydrophobicContact CZ2-CG 3.83Å; W426-F648 HydrophobicContact CZ3-CB 3.52Å; W426-F648 HydrophobicContact CZ3-CD2 4.36Å; W426-F648 HydrophobicContact CZ3-CG 4.25Å; W426-F648 AromaticContact NE1-CD2 3.76Å; W426-F648 AromaticContact NE1-CE2 3.92Å
427L93.5Very high78.8Confident6 Ų670.4 Ų70.43%0.03141%0.41CS..EExtended strand (participates in β ladder)trans-88.5127-176.7-54.2175.2000109.9V172 V369 T425 L646 I647 A649V172-L427 HydrophobicContact CG1-CB 4.19Å; V172-L427 HydrophobicContact CG2-CB 4.12Å; V369-L427 HydrophobicContact CB-CD1 4.45Å; V369-L427 HydrophobicContact CG1-CD2 4.49Å; V369-L427 HydrophobicContact CG2-CD1 3.91Å; T425-L427 HydrophobicContact CG2-CD2 3.92Å; T425-L427 HydrophobicContact CG2-CG 4.39Å; L427-L646 CarbonylContact O-C 3.5Å; L427-L646 VanDerWaalsContact O-CA 3.27Å; L427-L646 WeakPolarHBondContact O-CA 3.42Å; L427-I647 HydrophobicContact CB-CB 4.33Å; L427-I647 PolarHBondContact N-O 3Å; L427-I647 PolarHBondContact O-N 2.71Å; L427-A649 HydrophobicContact CD1-CB 3.79Å; L427-A649 HydrophobicContact CG-CB 4.1Å
428P92.4Very high75.9Confident87 Ų8777 Ų7757%0.56544%0.441SS*.EExtended strand (participates in β ladder)trans-73.9128.617830.1-33.4000111.4L646P428-L646 HydrophobicContact CB-CD2 4.24Å
429L88.8Confident73.2Confident35 Ų3583 Ų8318%0.18348%0.48CS..PPolyproline II helixtrans-77.1140.2164.9-76.7171.3000109.6V171 V172 C431 R644 K645 I647V171-L429 HydrophobicContact CB-CD2 3.65Å; V171-L429 HydrophobicContact CG2-CD2 3.63Å; V172-L429 HydrophobicContact CG2-CD2 3.98Å; L429-C431 PolarHBondContact O-N 2.57Å; L429-R644 WeakPolarHBondContact CD1-O 3.32Å; L429-K645 PolarHBondContact N-O 2.87Å; L429-I647 HydrophobicContact CD1-CG1 4.36Å; L429-I647 HydrophobicContact CD2-CD1 4.02Å; L429-I647 HydrophobicContact CD2-CG1 4.38Å; L429-I647 HydrophobicContact CG-CD1 4.45Å; L429-I647 HydrophobicContact CG-CG1 4.27Å
430P80.6Confident70.4Confident84 Ų8490.4 Ų90.455%0.54552%0.515SS..  trans-55.6114.5163.9-20.732.7000108.5V171 E432V171-P430 WeakPolarHBondContact O-CD 3.31Å; V171-P430 WeakPolarHBondContact O-CG 3.48Å; P430-E432 PolarHBondContact O-N 3.33Å
431C62.2Low67.5Low116 Ų11692.8 Ų92.878%0.78453%0.533SS*.  trans-65.3125170.4-168.50000107.5L429 Q433L429-C431 PolarHBondContact O-N 2.57Å; C431-Q433 PolarHBondContact O-N 3.49Å; C431-Q433 VanDerWaalsContact O-N 3.1Å
432E53.5Low64.9Low175 Ų17597.9 Ų97.982%0.81857%0.569SS**  trans-56.7122.2163.4-73.3-155.8153.500108P430 A434P430-E432 PolarHBondContact O-N 3.33Å; E432-A434 PolarHBondContact O-N 2.9Å
433Q44.3Very low62.2Low188 Ų188104.6 Ų104.688%0.87961%0.61SS**  trans-70.488.2161.5-69.9-178-2.900106.2C431 P435C431-Q433 PolarHBondContact O-N 3.49Å; C431-Q433 VanDerWaalsContact O-N 3.1Å; Q433-P435 VanDerWaalsContact O-N 3.16Å
434A40.6Very low59.4Low73 Ų73106.6 Ų106.660%0.60363%0.633SS**  trans-46.4125.4168.600000107.5E432 L436E432-A434 PolarHBondContact O-N 2.9Å; A434-L436 PolarHBondContact O-N 3.35Å
435P40.2Very low56.5Low125 Ų125110.9 Ų110.981%0.81266%0.664SS**  trans-56.6121.6-170.921.7-32.9000108.4Q433 A437Q433-P435 VanDerWaalsContact O-N 3.16Å; P435-A437 PolarHBondContact O-N 2.82Å
436L41.2Very low53.7Low167 Ų167113.3 Ų113.387%0.87469%0.688SS**  trans-54.7101.9-170.8-74.5168000110A434 Q438A434-L436 PolarHBondContact O-N 3.35Å; L436-Q438 PolarHBondContact O-N 3.41Å
437A46.4Very low50.8Low96 Ų96113.7 Ų113.779%0.79371%0.709SS**  trans-56.5113.5167.100000106.4P435P435-A437 PolarHBondContact O-N 2.82Å
438Q37Very low48Very low170 Ų170122.8 Ų122.879%0.79475%0.751SS**  trans-62.5136.6-174.8-68.4-163.8-10.200108.9L436 E440L436-Q438 PolarHBondContact O-N 3.41Å; Q438-E440 VanDerWaalsContact C-N 3.34Å; Q438-E440 PolarHBondContact O-N 3Å
439P42.2Very low45.4Very low126 Ų126125.5 Ų125.582%0.81876%0.76SS**  trans-70.494.2176.228.9-33.3000108.7S441P439-S441 PolarHBondContact O-N 3.34Å; P439-S441 VanDerWaalsContact O-N 3.17Å
440E37.7Very low43.1Very low195 Ų195127 Ų12791%0.91178%0.778SS**PPolyproline II helixtrans-57.8121.1168.4-68.9-158.9138.400108.6Q438Q438-E440 VanDerWaalsContact C-N 3.34Å; Q438-E440 PolarHBondContact O-N 3Å
441S37.4Very low41Very low99 Ų99133.6 Ų133.669%0.69279%0.792SS**PPolyproline II helixtrans-74.9137.9-164.4490000112.2P439 T443P439-S441 PolarHBondContact O-N 3.34Å; P439-S441 VanDerWaalsContact O-N 3.17Å; S441-T443 PolarHBondContact O-N 3.48Å
442P43.2Very low40.1Very low129 Ų129134.5 Ų134.584%0.83879%0.794SS**PPolyproline II helixtrans-70.3129.1-175.828.8-35000111.8
443T40.7Very low39.9Very low142 Ų142131.5 Ų131.587%0.87179%0.79SS**  trans-113.4123165.2-60.30000108.3S441S441-T443 PolarHBondContact O-N 3.48Å
444A39.4Very low40.1Very low99 Ų99128.7 Ų128.782%0.81879%0.788SS**  trans-117.1130.4-170.900000112.8
445S34.9Very low39.9Very low121 Ų121132.4 Ų132.485%0.84680%0.797SS**  trans179136.6165.6-176.90000108.5
446A36.1Very low39.9Very low95 Ų95131.8 Ų131.879%0.78580%0.796SS**  cis-165.2170.9-15.700000109.1
447G34.6Very low39.4Very low60 Ų60127 Ų12762%0.61979%0.787SS**  trans92.6123.8178.500000113.2
448E35.5Very low38.9Very low196 Ų196131.8 Ų131.892%0.91679%0.793SS**  74.5128.874-77.4177.110700113.1
449D37.1Very low39.1Very low144 Ų144127.5 Ų127.577%0.7778%0.782SS**  cis-151.1174.8-3.1-169.717.4000110.7
450A39.9Very low39Very low66 Ų66128 Ų12855%0.54578%0.778SS.*  trans-95145.3-161.500000117
451R37.7Very low39Very low224 Ų224125.9 Ų125.985%0.84577%0.766SS**  -172.8166.8123.2-100.4157.7-16384.8-5.1114.9
452T42.7Very low38.9Very low135 Ų135129.5 Ų129.583%0.82877%0.772SS**PPolyproline II helixtrans-84.6168.7-170.517.40000114.8
453P49Very low38.7Very low112 Ų112129.2 Ų129.273%0.72777%0.773SS**PPolyproline II helixtrans-90.5170-167.537.8-38.5000114.8
454P47.6Very low38.3Very low129 Ų129128.8 Ų128.884%0.83877%0.769SS**PPolyproline II helixtrans-90.1155.3162.336.5-32.3000113
455D36.6Very low37.7Very low150 Ų150128.8 Ų128.880%0.80276%0.763SS**  trans-129.1171.1170.3175.338.5000108.8
456S41.2Very low37.6Very low112 Ų112128 Ų12878%0.78376%0.758SS**  trans76.6154162.576.90000120.3
457G30.8Very low37.3Very low67 Ų67129.1 Ų129.169%0.69176%0.76SS**  trans108.496.7-178.900000112.7
458E35.2Very low37.4Very low196 Ų196132 Ų13292%0.91677%0.771SS**  53.6134.266-74.5-168126.400114.2
459S41.3Very low37.2Very low81 Ų81131 Ų13157%0.56677%0.772SS**  cis-164.9155.97.954.50000113.5
460D40.6Very low36.8Very low137 Ų137127.8 Ų127.873%0.73377%0.773SS**  trans78.8156.1138.5-85.1-11.4000125.8
461K38.4Very low36.3Very low149 Ų149132.9 Ų132.965%0.64879%0.791SS**  trans78.5106.8141.263.1-171138.4-85.10123.6
462E35.4Very low35.9Very low176 Ų176125.9 Ų125.982%0.82279%0.789SS**  trans64.3117.7132.6-60.3-176.711600121.2
463S38.6Very low35.4Very low122 Ų122127 Ų12785%0.85379%0.789SS**  176.9146.9102.3-77.10000114.5
464V31.2Very low34.5Very low133 Ų133125.9 Ų125.981%0.80679%0.79SS**  trans-84.1167.1162.4-67.10000109.5
465S28.2Very low33.6Very low99 Ų99128.8 Ų128.869%0.69280%0.795SS**  cis-159.7158.824.8-390000113.4
466S31.4Very low33.3Very low106 Ų106126.6 Ų126.674%0.74180%0.797SS**  trans33.2118.3135-520000123.3
467S31.5Very low32.6Very low118 Ų118124.4 Ų124.483%0.82579%0.792SS**  68124.1123.7-52.80000122.8
468S34.9Very low32.5Very low121 Ų121126.6 Ų126.685%0.84680%0.797SS**  -166.4151.4126.433.80000112.9
469N31.2Very low32.1Very low174 Ų174124 Ų12493%0.9380%0.795SS**  trans-87.3153.3175.5-74.1-1.6000111.7
470G28.9Very low31.6Very low77 Ų77123.6 Ų123.679%0.79480%0.797SS**  trans-165.8103.8165.300000113.6
471N30.4Very low31.1Very low173 Ų173125.1 Ų125.193%0.92580%0.804SS**  trans-73.7151.1165.6-76.315.3000110.3
472G29.6Very low30.7Very low77 Ų77121.4 Ų121.479%0.79481%0.809SS**  trans-173.692.4174.500000113.7
473D30.6Very low30.3Very low157 Ų157119 Ų11984%0.8481%0.811SS**  trans-55171.1-174.2-61.2-81.5000119.5
474A30.5Very low29.8Very low89 Ų89116.7 Ų116.774%0.73681%0.807SS**  trans76.894141.700000121.5
475M29.2Very low29.8Very low191 Ų191115.7 Ų115.794%0.94181%0.806SS**  58.1135.9102.8-168.3171.2-177.300121.4
476A29.4Very low30Very low103 Ų103119 Ų11985%0.85182%0.815SS**  trans103.3139.8166.800000116.3
477G28.3Very low29.9Very low67 Ų67117.6 Ų117.669%0.69181%0.81SS**  cis170.2141.6-12.500000116.6
478S27.8Very low29.8Very low113 Ų113121.3 Ų121.379%0.7981%0.811SS**  trans68.5156.5149.9-61.80000122.2
479T27.6Very low29.5Very low141 Ų141122.4 Ų122.487%0.86581%0.807SS**  trans90.1143.6160.372.70000119.2
480A31Very low29.4Very low73 Ų73118 Ų11860%0.60379%0.79SS**  cis-169.2154.7-26.400000111
481N30Very low29.4Very low168 Ų168118.7 Ų118.790%0.89878%0.783SS**  trans64.5158.6166.8-53-26.4000115.3
482G28.1Very low29.5Very low72 Ų72115.9 Ų115.974%0.74278%0.777SS**  cis153.8152.9-0.600000108.6
483S28.6Very low29.5Very low125 Ų125118 Ų11887%0.87478%0.779SS**  cis-168.9153.58.549.80000112.3
484G27.5Very low29.4Very low74 Ų74116.1 Ų116.176%0.76378%0.779SS**  trans81166154.200000118.8
485S30.7Very low29.4Very low111 Ų111117.3 Ų117.378%0.77678%0.782SS**  cis-167.4171.8-1854.40000111
486L32.5Very low29.4Very low168 Ų168113.4 Ų113.488%0.8877%0.773SS**  trans83.3135.5-179.2-52.5162.7000116.1
487A29.9Very low29.4Very low77 Ų77113.2 Ų113.264%0.63677%0.766SS**  cis-162.6123.2-22.900000112.1
488K29.1Very low29.3Very low196 Ų196115.6 Ų115.685%0.85277%0.771SS**  trans63.4154.5152.7-63.2175.4-177.9177.50118.9
489N28.6Very low29.4Very low145 Ų145116.3 Ų116.378%0.77578%0.776SS**  cis-177.6157.5-36.9-108.225.7000106.5
490S28.9Very low29.6Very low82 Ų82115.8 Ų115.857%0.57378%0.778SS**  cis-173.9159.5-24.9530000110.5
491S28.3Very low29.3Very low91 Ų91116 Ų11664%0.63679%0.788SS**  trans54.4106.5138.164.90000121.7
492S33.9Very low29.2Very low114 Ų114114 Ų11480%0.79779%0.787SS**  24.5119.6119.561.60000120.8
493S29.5Very low29.2Very low120 Ų120115.7 Ų115.784%0.83979%0.794SS**  -161152.1129.158.40000107.9
494S27.8Very low29.1Very low119 Ų119113.6 Ų113.683%0.83279%0.792SS**  -140.313774.351.10000114.4
495S30.3Very low29.3Very low114 Ų114115.5 Ų115.580%0.79780%0.801SS**  trans-152119.4169.659.20000109.5
496S30Very low29.1Very low109 Ų109114 Ų11476%0.76280%0.803SS**  trans-173.8148.6-176.649.60000109.8
497S28.8Very low29.2Very low99 Ų99113.2 Ų113.269%0.69281%0.805SS**  cis-174.5112.1-10.244.50000106.5
498S27.3Very low29Very low116 Ų116113.4 Ų113.481%0.81182%0.815SS**  57.4113.392.671.70000116.6
499S29.6Very low29.1Very low128 Ų128108.1 Ų108.190%0.89582%0.816SS**  trans-146.3142.1157.560.10000111.1
500S31Very low29.4Very low130 Ų130111.2 Ų111.291%0.90982%0.822SS**  trans-79.3154.5-163.850.30000117.2
501G25Very low29.9Very low78 Ų78114 Ų11480%0.80483%0.831SS**  trans-165119.1165.700000113.2
502S26.8Very low30.2Very low125 Ų125118.3 Ų118.387%0.87484%0.838SS**  trans-62.5145.7-163.3-55.50000119.3
503A29.9Very low30.5Very low109 Ų109119.1 Ų119.190%0.90184%0.839SS**  trans24.8127.8142.100000122.1
504G25.7Very low30.9Very low81 Ų81120.3 Ų120.384%0.83583%0.829SS**  trans-168.2142.7159.800000111.2
505A32.1Very low31.3Very low114 Ų114122.9 Ų122.994%0.94283%0.825SS**  trans-95.6144.7-179.700000111.9
506G26.3Very low31.9Very low80 Ų80122.6 Ų122.683%0.82582%0.815SS**  trans-170.5141.7178.800000113.5
507T33.3Very low32.4Very low150 Ų150125.4 Ų125.492%0.9281%0.813SS**  trans-96.3147.3-171.443.10000114.4
508G27.6Very low33.1Very low82 Ų82125.1 Ų125.185%0.84580%0.804SS**  trans104.4166.8141.500000119
509G29.6Very low33.9Very low84 Ų84126.1 Ų126.187%0.86679%0.793SS**  trans109.3100163.900000116.8
510K35.8Very low34.8Very low210 Ų210124 Ų12491%0.91377%0.772SS**  trans-89.6116.8154-77.8179.7177.5176.10108.3
511D39.2Very low35.5Very low141 Ų141124.2 Ų124.275%0.75476%0.757SS**  trans-161.5122.9144.1-132.2-30.6000112.6
512K35.1Very low36.4Very low182 Ų182128.3 Ų128.379%0.79175%0.752SS**  trans-161.4-26.1171.6-146.1171.1-176.4179.20113.8K514K512-K514 PolarHBondContact O-N 3.26Å
513T40.7Very low37.4Very low131 Ų131129 Ų12980%0.80474%0.736SS**THydrogen-bonded Turntrans-73.8-5.7-174-21.20000115.1
514K37.8Very low38Very low145 Ų145126.6 Ų126.663%0.6372%0.716SS**THydrogen-bonded Turntrans-84-30.6-176.2-162171.9-178.3179.80113.4K512K512-K514 PolarHBondContact O-N 3.26Å
515K36.1Very low38.6Very low173 Ų173126.7 Ų126.775%0.75270%0.697SS**Hα-helixtrans-74.4-33-166.7-168.3170.3-176.9174.40114.6
516D42.5Very low38.9Very low108 Ų108124.6 Ų124.658%0.57868%0.676SS**Hα-helixtrans-75.7-35.7179.3-57.4-56.4000111.3D518 K519 D520D516-D518 VanDerWaalsContact C-N 3.32Å; D516-D518 PolarHBondContact O-N 3.21Å; D516-K519 WeakPolarHBondContact O-CA 3.32Å; D516-K519 VanDerWaalsContact O-CB 3.27Å; D516-K519 WeakPolarHBondContact O-CB 3.28Å; D516-K519 PolarHBondContact O-N 2.73Å; D516-D520 PolarHBondContact O-N 2.68Å
517K40.6Very low39.6Very low167 Ų167124.2 Ų124.273%0.72666%0.657SS**Hα-helixtrans-60-37.2178.5-168172.7-176.5175.70113.5K519 K521K517-K519 VanDerWaalsContact C-N 3.29Å; K517-K521 PolarHBondContact O-N 3.16Å
518D42.5Very low39.9Very low94 Ų94120 Ų12050%0.50364%0.638SS.*Hα-helixtrans-73.1-21.5175.4-72.3-31.7000113D516D516-D518 VanDerWaalsContact C-N 3.32Å; D516-D518 PolarHBondContact O-N 3.21Å
519K45.3Very low40.5Very low137 Ų137123 Ų12360%0.59663%0.634SS**Hα-helixtrans-77.2-38.9177.5-164-178180-171.70111.5D516 K517D516-K519 WeakPolarHBondContact O-CA 3.32Å; D516-K519 VanDerWaalsContact O-CB 3.27Å; D516-K519 WeakPolarHBondContact O-CB 3.28Å; D516-K519 PolarHBondContact O-N 2.73Å; K517-K519 VanDerWaalsContact C-N 3.29Å
520D47.7Very low41Very low84 Ų84124.9 Ų124.945%0.44962%0.619SS.*Hα-helixtrans-78.1-30.2177-64.7-36.9000112.7D516 K522 R523 A524D516-D520 PolarHBondContact O-N 2.68Å; D520-K522 VanDerWaalsContact C-N 3.32Å; D520-K522 PolarHBondContact O-N 3Å; D520-R523 WeakPolarHBondContact O-CB 3.21Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 WeakPolarHBondContact OD1-CD 3.39Å; D520-R523 IonicContact OD1-CZ 2.68Å; D520-R523 IonicContact OD1-NH1 2.97Å; D520-R523 PolarHBondContact OD1-NH1 3.09Å; D520-A524 PolarHBondContact O-N 2.77Å; D520-A524 VanDerWaalsContact O-N 3.14Å
521K45.8Very low41.2Very low134 Ų134117.4 Ų117.458%0.58359%0.588SS**Hα-helixtrans-54.7-48.6169.6-172.5-178.2176.2-172.70111.5K517 R523 A524 D525K517-K521 PolarHBondContact O-N 3.16Å; K521-R523 PolarHBondContact O-N 3.24Å; K521-A524 PolarHBondContact O-N 3.13Å; K521-D525 PolarHBondContact O-N 3.18Å
522K43.3Very low41Very low163 Ų163112.3 Ų112.371%0.70957%0.57SS**Hα-helixtrans-67.7-13.8178.4-69.9-172176.3-171.30114.6D520D520-K522 VanDerWaalsContact C-N 3.32Å; D520-K522 PolarHBondContact O-N 3Å
523R48.4Very low41.2Very low139 Ų139105 Ų10553%0.52554%0.542SS..Hα-helixtrans-81-44.7170.5-73.5163.1144.4-178.9-14.9111D520 K521 D525 S526 V527D520-R523 WeakPolarHBondContact O-CB 3.21Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 WeakPolarHBondContact OD1-CD 3.39Å; D520-R523 IonicContact OD1-CZ 2.68Å; D520-R523 IonicContact OD1-NH1 2.97Å; D520-R523 PolarHBondContact OD1-NH1 3.09Å; K521-R523 PolarHBondContact O-N 3.24Å; R523-D525 PolarHBondContact O-N 3.01Å; R523-S526 PolarHBondContact O-N 3.17Å; R523-V527 PolarHBondContact O-N 3.47Å
524A41.8Very low41.2Very low59 Ų59101.3 Ų101.349%0.48851%0.514SS..Hα-helixtrans-59.4-45.7177.400000112.3D520 K521 S526 V527 A528D520-A524 PolarHBondContact O-N 2.77Å; D520-A524 VanDerWaalsContact O-N 3.14Å; K521-A524 PolarHBondContact O-N 3.13Å; A524-S526 PolarHBondContact O-N 3.05Å; A524-V527 PolarHBondContact O-N 2.89Å; A524-A528 PolarHBondContact O-N 2.95Å
525D38.3Very low41.1Very low84 Ų8496.5 Ų96.545%0.44951%0.505SS..Hα-helixtrans-60-32.1178.8-59.9-29.2000112.1K521 R523 N529K521-D525 PolarHBondContact O-N 3.18Å; R523-D525 PolarHBondContact O-N 3.01Å; D525-N529 PolarHBondContact O-N 3.04Å
526S38.3Very low41.4Very low69 Ų6994.6 Ų94.648%0.48350%0.497SS..Hα-helixtrans-76.9-22.1177-169.60000114R523 A524R523-S526 PolarHBondContact O-N 3.17Å; A524-S526 PolarHBondContact O-N 3.05Å
527V41.6Very low41.5Very low72 Ų7291.8 Ų91.844%0.43648%0.484SS..Hα-helixtrans-82.1-40.5174.1175.70000109.9R523 A524 N529 K530 L531R523-V527 PolarHBondContact O-N 3.47Å; A524-V527 PolarHBondContact O-N 2.89Å; V527-N529 VanDerWaalsContact C-N 3.26Å; V527-N529 PolarHBondContact O-N 3.11Å; V527-K530 PolarHBondContact O-N 3.39Å; V527-L531 HydrophobicContact CG1-CD1 3.84Å; V527-L531 HydrophobicContact CG1-CG 4.34Å; V527-L531 PolarHBondContact O-N 3.22Å; V527-L531 VanDerWaalsContact O-N 3.16Å
528A40.8Very low41.4Very low62 Ų6289.4 Ų89.451%0.51248%0.479SS..Hα-helixtrans-55.5-40.8174.900000112.3A524 K530 L531A524-A528 PolarHBondContact O-N 2.95Å; A528-K530 VanDerWaalsContact C-N 3.3Å; A528-K530 PolarHBondContact O-N 3.15Å; A528-L531 PolarHBondContact O-N 3.49Å
529N39.9Very low40.9Very low144 Ų14487.6 Ų87.677%0.7748%0.483SS*.THydrogen-bonded Turntrans-73-15.3178.8-70.9-5.2000114.7D525 V527D525-N529 PolarHBondContact O-N 3.04Å; V527-N529 VanDerWaalsContact C-N 3.26Å; V527-N529 PolarHBondContact O-N 3.11Å
530K39.4Very low40.4Very low124 Ų12485.7 Ų85.754%0.53949%0.487SS..THydrogen-bonded Turntrans-96.4-8.1171.6-73.9-175.8178.2-83.10113.1D81 V527 A528D81-K530 IonicContact OD1-NZ 3.17Å; D81-K530 PolarHBondContact OD1-NZ 2.71Å; D81-K530 IonicContact OD2-NZ 2.64Å; D81-K530 PolarHBondContact OD2-NZ 2.87Å; V527-K530 PolarHBondContact O-N 3.39Å; A528-K530 VanDerWaalsContact C-N 3.3Å; A528-K530 PolarHBondContact O-N 3.15Å
531L39.9Very low40.5Very low53 Ų5385 Ų8528%0.27748%0.479SS..SBendtrans-101.579.4176.4-68.8176.1000111.2L311 V527 A528 S533L311-L531 HydrophobicContact CD1-CD2 4.37Å; V527-L531 HydrophobicContact CG1-CD1 3.84Å; V527-L531 HydrophobicContact CG1-CG 4.34Å; V527-L531 PolarHBondContact O-N 3.22Å; V527-L531 VanDerWaalsContact O-N 3.16Å; A528-L531 PolarHBondContact O-N 3.49Å; L531-S533 PolarHBondContact O-N 2.92Å; L531-S533 VanDerWaalsContact O-N 3.17Å
532G34.8Very low40.3Very low35 Ų3586.5 Ų86.536%0.36149%0.493SS..THydrogen-bonded Turntrans-56.7116.7175.800000112.7F534G532-F534 WeakPolarHBondContact O-CD2 3.32Å; G532-F534 PolarHBondContact O-N 2.7Å
533S38.9Very low40.1Very low29 Ų2988 Ų8820%0.20350%0.5CS..THydrogen-bonded Turntrans57.2-29.9-178.6-94.30000118.5E285 L531 G535 K536E285-S533 PolarHBondContact OE2-OG 3.13Å; L531-S533 PolarHBondContact O-N 2.92Å; L531-S533 VanDerWaalsContact O-N 3.17Å; S533-G535 PolarHBondContact O-N 2.67Å; S533-K536 PolarHBondContact O-N 2.89Å; S533-K536 PolarHBondContact OG-NZ 3.09Å
534F40.4Very low40Very low53 Ų5390.1 Ų90.123%0.23251%0.512CS..THydrogen-bonded Turntrans-51.5-24.2-177.1-72.1-73.6000115.7F324 Y347 A350 G532 K536F324-F534 AromaticContact CE2-CE1 3.72Å; F324-F534 HydrophobicContact CE2-CE1 3.72Å; F324-F534 AromaticContact CE2-CZ 3.67Å; F324-F534 HydrophobicContact CE2-CZ 3.67Å; F324-F534 AromaticContact CZ-CE1 3.81Å; F324-F534 HydrophobicContact CZ-CE1 3.81Å; F324-F534 AromaticContact CZ-CZ 3.81Å; F324-F534 HydrophobicContact CZ-CZ 3.81Å; Y347-F534 WeakPolarHBondContact OH-CZ 3.47Å; A350-F534 HydrophobicContact CB-CE2 3.88Å; G532-F534 WeakPolarHBondContact O-CD2 3.32Å; G532-F534 PolarHBondContact O-N 2.7Å; F534-K536 PolarHBondContact O-N 3.03Å
535G36.5Very low39.7Very low43 Ų4395.2 Ų95.244%0.44353%0.531SS..Hα-helixtrans-72.4-16-177.700000116.2S533 G539S533-G535 PolarHBondContact O-N 2.67Å; G535-G539 VanDerWaalsContact O-CA 3.3Å; G535-G539 WeakPolarHBondContact O-CA 3.5Å; G535-G539 PolarHBondContact O-N 3.38Å
536K42.7Very low39.6Very low133 Ų13398.6 Ų98.658%0.57856%0.555SS**Hα-helixtrans-74.5-41.6-168.9-69.1167.6-175.6157.20113.4S533 F534 S540S533-K536 PolarHBondContact O-N 2.89Å; S533-K536 PolarHBondContact OG-NZ 3.09Å; F534-K536 PolarHBondContact O-N 3.03Å; K536-S540 PolarHBondContact O-OG 2.98Å
537T44.3Very low39.1Very low49 Ų4999.1 Ų99.130%0.30157%0.572SS.*Hα-helixtrans-81.2-39.8-179.745.20000112.4K541T537-K541 WeakPolarHBondContact O-CD 3.32Å; T537-K541 WeakPolarHBondContact O-CE 3.39Å; T537-K541 WeakPolarHBondContact O-CG 3.49Å
538L37.7Very low38.4Very low117 Ų11798.5 Ų98.561%0.61358%0.58SS**Hα-helixtrans-75.1-46.7174.4-109.179.7000113.2S540 K541L538-S540 PolarHBondContact O-N 3.02Å; L538-S540 VanDerWaalsContact O-N 3.16Å; L538-K541 PolarHBondContact O-N 3.17Å
539G31.9Very low37.8Very low57 Ų57103.6 Ų103.659%0.58860%0.597SS**Hα-helixtrans-63.8-24-173.500000114.1G535G535-G539 VanDerWaalsContact O-CA 3.3Å; G535-G539 WeakPolarHBondContact O-CA 3.5Å; G535-G539 PolarHBondContact O-N 3.38Å
540S36.7Very low37.4Very low97 Ų97104.9 Ų104.968%0.67860%0.601SS**THydrogen-bonded Turntrans-74.1-23.9175.2-60.30000113.4K536 L538K536-S540 PolarHBondContact O-OG 2.98Å; L538-S540 PolarHBondContact O-N 3.02Å; L538-S540 VanDerWaalsContact O-N 3.16Å
541K48.4Very low37Very low68 Ų68106.1 Ų106.130%0.29662%0.619SS.*THydrogen-bonded Turntrans-85.4-10.9-168.7-70.1176.2179.1-169.80115N237 L242 Y244 T537 L538N237-K541 PolarHBondContact OD1-NZ 2.87Å; L242-K541 HydrophobicContact CD2-CD 3.61Å; L242-K541 VanDerWaalsContact CD2-CE 3.47Å; L242-K541 HydrophobicContact CD2-CG 4.1Å; Y244-K541 WeakPolarHBondContact OH-CE 3.25Å; Y244-K541 PolarHBondContact OH-NZ 3.19Å; T537-K541 WeakPolarHBondContact O-CD 3.32Å; T537-K541 WeakPolarHBondContact O-CE 3.39Å; T537-K541 WeakPolarHBondContact O-CG 3.49Å; L538-K541 PolarHBondContact O-N 3.17Å
542L41.7Very low36.4Very low166 Ų166107.3 Ų107.387%0.86964%0.644SS**THydrogen-bonded Turntrans-108.116.7-173.2-144.381.2000115.7
543K39.9Very low36.1Very low196 Ų196116 Ų11685%0.85267%0.672SS**SBendtrans-131.923-176.5-146.9-176.1176-177.70116.2
544K46.7Very low35.6Very low182 Ų182122.5 Ų122.579%0.79170%0.704SS**SBendtrans-134.4149.4161.2-66.6-178.7-177.5172.90108.3
545N35.2Very low34.9Very low166 Ų166125 Ų12589%0.88874%0.735SS**SBendtrans71.924.9174.6-55.4-6.3000118.9
546V35.4Very low34.4Very low155 Ų155126.4 Ų126.494%0.93975%0.749SS**  trans-111.197.4152.2178.10000109.2
547G27.9Very low33.5Very low81 Ų81125 Ų12584%0.83576%0.763SS**  trans155.985.3174.300000114.3
548G27.3Very low32.7Very low59 Ų59128 Ų12861%0.60879%0.792SS**  trans172.725.2175.700000122.1
549L28Very low32.1Very low168 Ų168126.2 Ų126.288%0.8880%0.802SS**  trans-155.880.2166.3-144.170.8000111.5
550M32.4Very low32Very low171 Ų171130.2 Ų130.284%0.84282%0.815SS**  68.796.879.1-63.4-166.4-173.700115.4
551T30.3Very low31.6Very low150 Ų150134.8 Ų134.892%0.9282%0.823SS**  trans-98.4115.9154.452.70000109.3
552G27Very low31.5Very low78 Ų78136.7 Ų136.780%0.80484%0.842SS**  trans-92.4162-173.600000115.7
553K28.8Very low30.9Very low217 Ų217138 Ų13894%0.94384%0.844SS**  trans-154.2153.4159-128.6169.6-176.1174.30111.3
554N27.7Very low30.3Very low166 Ų166132.3 Ų132.389%0.88884%0.842SS**  trans-89.8139.5-163.5-64.6-15.1000114.9
555A26.6Very low29.5Very low106 Ų106127.2 Ų127.288%0.87684%0.841SS**  trans164.2147.2139.200000109.4
556G24.9Very low29.4Very low72 Ų72126.3 Ų126.374%0.74283%0.831SS**  cis169.4147.1-9.500000112.2
557A25.4Very low29.3Very low105 Ų105126.1 Ų126.187%0.86882%0.817SS**  trans69.7133.5166.900000121.6
558A25.8Very low29.5Very low111 Ų111130.3 Ų130.392%0.91781%0.813SS**  trans61.9128.6147.800000121.8
559G25.8Very low29.8Very low79 Ų79137.2 Ų137.281%0.81483%0.826SS**  trans169.5106.6169.500000113.9
560T29.5Very low29.8Very low142 Ų142132.3 Ų132.387%0.87182%0.816SS**  trans-60138.6-170.141.30000119.2
561K29.6Very low29.7Very low192 Ų192128.8 Ų128.884%0.83581%0.808SS**  trans-24.9173.9139.2-86.3-173.9174.7-174.70117.3
562P45.7Very low29.8Very low109 Ų109129.6 Ų129.671%0.70880%0.8SS**  cis-129.2-163.1-27.533.2-10000109.7
563E28.3Very low30.1Very low192 Ų192135.6 Ų135.690%0.89780%0.798SS**  cis-151.117426.9-68.4-154.410200107.9
564G29Very low30.2Very low78 Ų78128.2 Ų128.280%0.80478%0.784SS**  cis145.215611.100000107.5
565G29.3Very low30.6Very low75 Ų75132.4 Ų132.477%0.77379%0.787SS**  cis-160.8-159.9-300000107.4
566E32Very low30.7Very low147 Ų147136.4 Ų136.469%0.68779%0.785SS**  cis-157.2159.9-4.1-61.4-168.995.900110.3
567K33.3Very low30.8Very low150 Ų150135.7 Ų135.765%0.65278%0.777SS**  trans63.7148.9149.7-67.7153.6-171.8162.80118
568K33.8Very low31.2Very low169 Ų169135.7 Ų135.774%0.73577%0.771SS**  cis-164.7144.1-3.9-126.5174.1-178.3174.10111.5
569K32.9Very low31.5Very low204 Ų204137.9 Ų137.989%0.88776%0.76SS**  trans49146.6151-73.2-175.2171.7-170.60120.4
570G27.6Very low31.6Very low65 Ų65139.7 Ų139.767%0.6775%0.751SS**  cis-166.3154.5-0.400000110.1
571S31.1Very low31.5Very low98 Ų98138.6 Ų138.669%0.68575%0.749SS**  77133.863-169.40000113.6
572F32.9Very low31.6Very low167 Ų167135 Ų13573%0.73275%0.748SS**  cis-103.7-148.57.3-62.6-94.4000111.5
573R33.1Very low31.5Very low203 Ų203135.8 Ų135.877%0.76675%0.753SS**  cis-157172.1-2.7-144.6154.1-86.7-167.7-4.7106.4
574G31Very low31.6Very low63 Ų63132.2 Ų132.265%0.64975%0.749SS**  cis92.1128.216.500000111.3
575R35Very low31.6Very low254 Ų254133 Ų13396%0.95875%0.748SS**  cis-158.2173.512.4-86.4179.4169.3-175.9-2.8107.8
576K29.6Very low31.6Very low190 Ų190138.8 Ų138.883%0.82676%0.755SS**  cis-179.6134.4-29.1169.2-98163.5-167.40108.5
577G27.2Very low31.5Very low57 Ų57136.1 Ų136.159%0.58876%0.758SS**  trans115.3138.3169.400000113.8
578S32.1Very low31.4Very low104 Ų104133.8 Ų133.873%0.72776%0.761SS**  cis70.5127.910.6-1450000114.3
579K31.9Very low31.2Very low158 Ų158134.7 Ų134.769%0.68777%0.767SS**  cis-162.1165.611.3-146178.3164.8-79.80113.2
580D28.3Very low31Very low117 Ų117132.4 Ų132.463%0.62677%0.765SS**  trans76.2146.3148.2-69.6-30.6000125.4
581S27.6Very low31.4Very low119 Ų119134.7 Ų134.783%0.83277%0.771SS**  trans91.3120.6149.5660000121.4
582S32.5Very low31.5Very low117 Ų117133.6 Ų133.682%0.81878%0.775SS**  trans-98172.8169.9-32.40000110.2
583P43.3Very low31.6Very low124 Ų124135.7 Ų135.781%0.80578%0.784SS**  -148.6175.367.739.5-18.5000118.1
584S29.3Very low31.3Very low118 Ų118129.2 Ų129.283%0.82578%0.78SS**  trans-36.7143.4177.1-38.50000120.7
585A30Very low31.3Very low95 Ų95132 Ų13279%0.78579%0.789SS**  -175.7136.6116.700000114.6
586Q28.6Very low31.2Very low195 Ų195126.2 Ų126.291%0.91179%0.785SS**  trans17.5126.6155-61.3178.3-25.100122.3
587A30Very low31.2Very low91 Ų91123.1 Ų123.175%0.75279%0.787SS**  168.6148103.800000114.5
588S31.2Very low31.4Very low101 Ų101126 Ų12671%0.70680%0.799SS**  trans39.7118.7156.659.20000122.6
589E31.1Very low31Very low188 Ų188124.5 Ų124.588%0.87980%0.799SS**  16.8139.1121.2-61.2154142.100118.1
590D28.1Very low30.8Very low157 Ų157121.6 Ų121.684%0.8480%0.799SS**  -157.6178.851.6-172.118.8000113.5
591S36Very low30.8Very low112 Ų112122.1 Ų122.178%0.78380%0.797SS**  trans-87171.3177.3-63.70000113.2
592G32.8Very low31Very low75 Ų75126 Ų12677%0.77379%0.794SS**  cis-165.5-171.34.500000113
593K35Very low30.7Very low211 Ų211127 Ų12792%0.91779%0.79SS**  trans-92155.4-176-57.1159.2-171.7168.80109.5
594G27.9Very low30Very low67 Ų67128.5 Ų128.569%0.69179%0.79SS**  cis84.2124.534.300000109.9
595S30.3Very low29.8Very low121 Ų121126.1 Ų126.185%0.84678%0.783SS**  cis-159.4169.97.6-78.60000110.2
596P33.7Very low29.8Very low134 Ų134127.5 Ų127.587%0.8778%0.782SS**  trans-85.6173.6-169.335-37.9000115.8
597S28.2Very low30Very low124 Ų124126.4 Ų126.487%0.86778%0.78SS**  trans-125.7149.6176.9-179.80000111.8
598S31.6Very low30Very low119 Ų119127.5 Ų127.583%0.83278%0.782SS**  trans-166.7134171.8-173.70000114.1
599G24.3Very low30.1Very low72 Ų72128.5 Ų128.574%0.74279%0.789SS**  trans72.7149.3145.900000120.3
600S27.2Very low30.3Very low96 Ų96128.3 Ų128.367%0.67179%0.79SS**  cis-161.1139.7-12.9-141.60000112.6
601E29.1Very low30.7Very low128 Ų128126.9 Ų126.960%0.59879%0.792SS**  trans64.3137134.8-77.4176114.900126
602R30.4Very low30.7Very low201 Ų201127.2 Ų127.276%0.75879%0.794SS**  trans79.4146.8137.2-75.5171.7-155.9-149.410.1119
603L26.4Very low30.7Very low139 Ų139129.7 Ų129.773%0.72880%0.8SS**  cis-144.7147.97.6-93.2120.4000112.7
604L29.2Very low30.5Very low155 Ų155123.6 Ų123.681%0.81280%0.797SS**  trans58.3148.8150.4-60.8167.2000119.5
605G25.2Very low30.5Very low67 Ų67124.4 Ų124.469%0.69181%0.805SS**  cis156.7164.20.500000108.8
606T29.7Very low30.8Very low124 Ų124124.9 Ų124.976%0.76181%0.808SS**  cis-168162.73.4-19.90000105.3
607M32.5Very low30.7Very low173 Ų173123.4 Ų123.485%0.85280%0.801SS**  cis-154.8171.221-40.1167.8-159.500110.5
608S30.2Very low31.3Very low114 Ų114124.6 Ų124.680%0.79780%0.804SS**  trans-160.6150.7149.4-89.70000112.4
609S33.1Very low31.8Very low122 Ų122126 Ų12685%0.85380%0.797SS**  trans56.7153.2160.661.80000122
610M35Very low32.7Very low184 Ų184128.2 Ų128.291%0.90680%0.801SS**  trans-163.2144.7179.731.9177.9160.300106.6
611S36.2Very low33.2Very low126 Ų126132.1 Ų132.188%0.88181%0.809SS**  cis-143.8173-0.3-81.20000110.5
612S36.3Very low34.1Very low119 Ų119133.1 Ų133.183%0.83281%0.813SS**  trans-121.6154.2-164.955.10000115.9
613S33.6Very low35.1Very low128 Ų128132.4 Ų132.490%0.89581%0.812SS**  trans-169.6148.1146.750.70000108.6
614G30.7Very low37.8Very low83 Ų83133.6 Ų133.686%0.85681%0.811SS**  cis165.785.6-7.200000111.8
615G26.6Very low40.6Very low83 Ų83128.8 Ų128.886%0.85678%0.782SS**  trans-171.5150179.800000112.2
616S38.4Very low43.7Very low131 Ų131127.9 Ų127.992%0.91677%0.766SS**  trans-113.7119.1-175.4-1750000111.7
617S30.6Very low46.8Very low103 Ų103125.4 Ų125.472%0.7275%0.753SS**  trans-158.8151.9165.951.60000109.7E619S617-E619 VanDerWaalsContact C-N 3.35Å; S617-E619 PolarHBondContact O-N 2.83Å
618T40.6Very low49.6Very low150 Ų150121 Ų12192%0.9273%0.733SS**SBendtrans-81.869.7-17250.30000113.2
619E42.3Very low52.7Low149 Ų149115.6 Ų115.670%0.69670%0.695SS**  trans-140.399.3170.3-69-166.8167.800110.6S617S617-E619 VanDerWaalsContact C-N 3.35Å; S617-E619 PolarHBondContact O-N 2.83Å
620S43.9Very low55.7Low117 Ų117114.3 Ų114.382%0.81867%0.674SS**  trans-146.726.3-170.1700000118.2
621E36.9Very low58.5Low178 Ų178109.7 Ų109.783%0.83266%0.656SS**SBendtrans-127.8-15.3169.3-68.6-157.2132.900115.4Y623E621-Y623 VanDerWaalsContact C-N 3.31Å; E621-Y623 PolarHBondContact O-N 2.85Å; E621-Y623 VanDerWaalsContact O-N 3.11Å
622H47.8Very low61.3Low150 Ų150103.8 Ų103.869%0.69462%0.615SS**THydrogen-bonded Turntrans-75-2.4-165.3-101.6-130.9000117.2K630H622-K630 PolarHBondContact O-NZ 2.9Å
623Y52.2Low64.1Low186 Ų18699 Ų9973%0.72958%0.58SS**THydrogen-bonded Turntrans-11811.4-162.1-65.5-75.3000116.9E621 Y625E621-Y623 VanDerWaalsContact C-N 3.31Å; E621-Y623 PolarHBondContact O-N 2.85Å; E621-Y623 VanDerWaalsContact O-N 3.11Å; Y623-Y625 PolarHBondContact O-N 3.42Å
624K82.6Confident67Low164 Ų16494.9 Ų94.971%0.71356%0.557SS**SBendtrans-70.4-21.7-176.4-168.7174.1178.1-175.60116
625Y87.4Confident70.1Confident54 Ų5492.7 Ų92.721%0.21253%0.526CS..SBendtrans-138.5152.7-172.2-61.2-74.8000113.2E412 Q416 Y623 V629 K630E412-Y625 HydrophobicContact CB-CD2 4.09Å; E412-Y625 HydrophobicContact CB-CE1 4.44Å; E412-Y625 HydrophobicContact CB-CE2 3.82Å; Q416-Y625 HydrophobicContact CB-CD1 3.88Å; Q416-Y625 HydrophobicContact CB-CE1 4.02Å; Q416-Y625 HydrophobicContact CG-CD1 4.07Å; Q416-Y625 HydrophobicContact CG-CE1 4.31Å; Y623-Y625 PolarHBondContact O-N 3.42Å; Y625-V629 HydrophobicContact CD1-CG1 4.4Å; Y625-V629 HydrophobicContact CG-CG1 4.38Å; Y625-K630 VanDerWaalsContact O-CE 3.29Å; Y625-K630 WeakPolarHBondContact O-CE 3.38Å; Y625-K630 PolarHBondContact O-NZ 3.23Å
626S92.1Very high73.2Confident48 Ų4888.9 Ų88.934%0.33649%0.486SS..  trans-57.1157178.4-1700000113.2D628 V629 K630S626-D628 PolarHBondContact O-N 2.72Å; S626-D628 PolarHBondContact OG-N 2.98Å; S626-D628 PolarHBondContact OG-OD2 2.73Å; S626-V629 PolarHBondContact O-N 3.41Å; S626-K630 WeakPolarHBondContact O-CG 3.34Å; S626-K630 PolarHBondContact O-N 2.98Å; S626-K630 VanDerWaalsContact O-N 3.09Å
627S93.1Very high75.8Confident72 Ų7288.6 Ų88.650%0.50346%0.464SS..Hα-helixtrans-47.8-44.5165.542.50000111.8V629 K630 V631S627-V629 PolarHBondContact O-N 2.9Å; S627-K630 WeakPolarHBondContact O-CB 3.33Å; S627-K630 PolarHBondContact O-N 3.29Å; S627-K630 VanDerWaalsContact O-N 3.16Å; S627-V631 WeakPolarHBondContact O-CG2 3.41Å; S627-V631 PolarHBondContact O-N 2.93Å
628D92.8Very high78.8Confident80 Ų8084.9 Ų84.943%0.42844%0.44SS..Hα-helixtrans-77.3-29.7-167.2-31.1-52.4000111H419 S626 S632H419-D628 PolarHBondContact NE2-O 2.95Å; S626-D628 PolarHBondContact O-N 2.72Å; S626-D628 PolarHBondContact OG-N 2.98Å; S626-D628 PolarHBondContact OG-OD2 2.73Å; D628-S632 VanDerWaalsContact O-CB 3.22Å; D628-S632 WeakPolarHBondContact O-CB 3.36Å; D628-S632 PolarHBondContact O-N 2.84Å; D628-S632 PolarHBondContact O-OG 3.29Å
629V95.6Very high81.2Confident1 Ų177.9 Ų77.91%0.00640%0.398CS..Hα-helixtrans-68.9-43.7169.1173.50000110.3L415 Q416 H419 Y625 S626 S627 S632 L633L415-V629 HydrophobicContact CB-CG1 4.01Å; Q416-V629 HydrophobicContact CB-CG1 4.47Å; Q416-V629 HydrophobicContact CB-CG2 4.21Å; H419-V629 HydrophobicContact CB-CG2 4.02Å; Y625-V629 HydrophobicContact CD1-CG1 4.4Å; Y625-V629 HydrophobicContact CG-CG1 4.38Å; S626-V629 PolarHBondContact O-N 3.41Å; S627-V629 PolarHBondContact O-N 2.9Å; V629-S632 PolarHBondContact O-N 3.38Å; V629-L633 WeakPolarHBondContact O-CB 3.17Å; V629-L633 PolarHBondContact O-N 3.04Å
630K94.2Very high83.3Confident94 Ų9476.9 Ų76.941%0.40940%0.395SS..Hα-helixtrans-63.7-40.8175.9-69.5165.6175.1170.50112.3H622 Y625 S626 S627 G634H622-K630 PolarHBondContact O-NZ 2.9Å; Y625-K630 VanDerWaalsContact O-CE 3.29Å; Y625-K630 WeakPolarHBondContact O-CE 3.38Å; Y625-K630 PolarHBondContact O-NZ 3.23Å; S626-K630 WeakPolarHBondContact O-CG 3.34Å; S626-K630 PolarHBondContact O-N 2.98Å; S626-K630 VanDerWaalsContact O-N 3.09Å; S627-K630 WeakPolarHBondContact O-CB 3.33Å; S627-K630 PolarHBondContact O-N 3.29Å; S627-K630 VanDerWaalsContact O-N 3.16Å; K630-G634 PolarHBondContact O-N 2.97Å
631V94.9Very high85.4Confident87 Ų8779.1 Ų79.153%0.52739%0.392SS..Hα-helixtrans-65.1-49.6174.1169.60000110.6S627 L633 G634 I635S627-V631 WeakPolarHBondContact O-CG2 3.41Å; S627-V631 PolarHBondContact O-N 2.93Å; V631-L633 VanDerWaalsContact C-N 3.26Å; V631-L633 PolarHBondContact O-N 3.25Å; V631-G634 PolarHBondContact O-N 3.42Å; V631-G634 VanDerWaalsContact O-N 3.16Å; V631-I635 HydrophobicContact CG1-CD1 3.74Å; V631-I635 WeakPolarHBondContact O-CG1 3.05Å; V631-I635 PolarHBondContact O-N 3.15Å
632S95.6Very high87.8Confident2 Ų273.1 Ų73.11%0.01438%0.378CS..Hα-helixtrans-58.9-38.5177.5-62.30000112.4H419 W426 D628 V629 L636H419-S632 PolarHBondContact NE2-OG 3.05Å; W426-S632 WeakPolarHBondContact CZ2-O 3.45Å; W426-S632 PolarHBondContact NE1-OG 3.05Å; D628-S632 VanDerWaalsContact O-CB 3.22Å; D628-S632 WeakPolarHBondContact O-CB 3.36Å; D628-S632 PolarHBondContact O-N 2.84Å; D628-S632 PolarHBondContact O-OG 3.29Å; V629-S632 PolarHBondContact O-N 3.38Å; S632-L636 VanDerWaalsContact O-CB 3.25Å; S632-L636 WeakPolarHBondContact O-CB 3.44Å; S632-L636 PolarHBondContact O-N 2.84Å
633L95.1Very high89.7Confident20 Ų2070.8 Ų70.811%0.10537%0.367CS..Hα-helixtrans-64.7-45.6176179.574.4000112.1L411 E412 L415 V629 V631 L636 R637L411-L633 HydrophobicContact CB-CD1 4.19Å; L411-L633 HydrophobicContact CD2-CD1 3.88Å; L411-L633 HydrophobicContact CG-CD1 3.94Å; E412-L633 HydrophobicContact CG-CD1 3.88Å; E412-L633 HydrophobicContact CG-CD2 3.6Å; E412-L633 HydrophobicContact CG-CG 4.32Å; E412-L633 VanDerWaalsContact OE1-CD1 3.27Å; E412-L633 WeakPolarHBondContact OE1-CD1 3.3Å; L415-L633 HydrophobicContact CD1-CB 3.84Å; L415-L633 HydrophobicContact CD1-CD1 4.02Å; V629-L633 WeakPolarHBondContact O-CB 3.17Å; V629-L633 PolarHBondContact O-N 3.04Å; V631-L633 VanDerWaalsContact C-N 3.26Å; V631-L633 PolarHBondContact O-N 3.25Å; L633-L636 PolarHBondContact O-N 3.23Å; L633-R637 HydrophobicContact CD1-CG 4.48Å; L633-R637 WeakPolarHBondContact O-CB 3.37Å; L633-R637 VanDerWaalsContact O-CG 3.25Å; L633-R637 WeakPolarHBondContact O-CG 3.24Å; L633-R637 PolarHBondContact O-N 3.3Å
634G94.8Very high91.4Very high40 Ų4068 Ų6841%0.41236%0.356SS..Hα-helixtrans-59.8-48176.800000111.8K630 V631 R637 A638K630-G634 PolarHBondContact O-N 2.97Å; V631-G634 PolarHBondContact O-N 3.42Å; V631-G634 VanDerWaalsContact O-N 3.16Å; G634-R637 PolarHBondContact O-N 2.71Å; G634-A638 WeakPolarHBondContact O-CB 3.35Å; G634-A638 PolarHBondContact O-N 2.9Å
635I94.4Very high91.7Very high38 Ų3866.5 Ų66.520%0.19535%0.349CS..Hα-helixtrans-61.3-47.2177.3-61.5160.9000111W426 V631 A638 A639 L646W426-I635 HydrophobicContact CD2-CD1 3.92Å; W426-I635 HydrophobicContact CD2-CG2 4.16Å; W426-I635 HydrophobicContact CE3-CD1 4.5Å; W426-I635 HydrophobicContact CE3-CG2 3.67Å; W426-I635 HydrophobicContact CG-CD1 4.11Å; W426-I635 HydrophobicContact CH2-CB 3.83Å; W426-I635 HydrophobicContact CH2-CG2 3.48Å; W426-I635 VanDerWaalsContact CH2-CG2 3.48Å; W426-I635 HydrophobicContact CZ2-CB 3.96Å; W426-I635 HydrophobicContact CZ2-CD1 4.27Å; W426-I635 HydrophobicContact CZ2-CG2 4.04Å; W426-I635 HydrophobicContact CZ3-CB 4.14Å; W426-I635 HydrophobicContact CZ3-CG2 3.28Å; V631-I635 HydrophobicContact CG1-CD1 3.74Å; V631-I635 WeakPolarHBondContact O-CG1 3.05Å; V631-I635 PolarHBondContact O-N 3.15Å; I635-A638 PolarHBondContact O-N 3.37Å; I635-A639 WeakPolarHBondContact O-CB 3.32Å; I635-A639 PolarHBondContact O-N 3.08Å; I635-L646 HydrophobicContact CD1-CD1 3.76Å; I635-L646 HydrophobicContact CG1-CD1 4.07Å; I635-L646 HydrophobicContact CG2-CB 4.04Å; I635-L646 HydrophobicContact CG2-CD1 3.74Å; I635-L646 HydrophobicContact CG2-CG 4.34Å
636L92.9Very high92.1Very high2 Ų266.2 Ų66.21%0.0135%0.351CS..Hα-helixtrans-66.8-39.2-177.5-173.459.1000112.2T373 M379 L411 L415 W426 S632 L633 A639 M640T373-L636 HydrophobicContact CG2-CD1 4.27Å; M379-L636 HydrophobicContact CB-CD2 4.26Å; M379-L636 HydrophobicContact SD-CD2 4.31Å; L411-L636 HydrophobicContact CD1-CD2 3.87Å; L411-L636 HydrophobicContact CD2-CD2 4.15Å; L411-L636 HydrophobicContact CG-CD2 4.28Å; L415-L636 HydrophobicContact CD1-CD2 4.37Å; L415-L636 HydrophobicContact CD2-CD2 4.3Å; W426-L636 HydrophobicContact CH2-CB 4.27Å; S632-L636 VanDerWaalsContact O-CB 3.25Å; S632-L636 WeakPolarHBondContact O-CB 3.44Å; S632-L636 PolarHBondContact O-N 2.84Å; L633-L636 PolarHBondContact O-N 3.23Å; L636-A639 PolarHBondContact O-N 2.91Å; L636-M640 VanDerWaalsContact O-CG 3.3Å; L636-M640 WeakPolarHBondContact O-CG 3.19Å; L636-M640 PolarHBondContact O-N 2.91Å
637R92.9Very high92.2Very high125 Ų12564 Ų6447%0.47234%0.335SS..Hα-helixtrans-62.2-41.9172.5-72.8174.7-177.9-1692.6111.6E412 L633 G634 M640 Q641E412-R637 IonicContact OE1-CZ 3.76Å; E412-R637 IonicContact OE1-NH2 3.79Å; E412-R637 PolarHBondContact OE1-NH2 2.81Å; L633-R637 HydrophobicContact CD1-CG 4.48Å; L633-R637 WeakPolarHBondContact O-CB 3.37Å; L633-R637 VanDerWaalsContact O-CG 3.25Å; L633-R637 WeakPolarHBondContact O-CG 3.24Å; L633-R637 PolarHBondContact O-N 3.3Å; G634-R637 PolarHBondContact O-N 2.71Å; R637-M640 PolarHBondContact O-N 2.61Å; R637-Q641 WeakPolarHBondContact O-CG 3.48Å; R637-Q641 PolarHBondContact O-N 3.46Å; R637-Q641 VanDerWaalsContact O-N 3.12Å
638A92.4Very high92.4Very high25 Ų2560.6 Ų60.621%0.20731%0.311CS..Hα-helixtrans-65.4-42.4176.200000111.9G634 I635 M640 Q641 G642 E643G634-A638 WeakPolarHBondContact O-CB 3.35Å; G634-A638 PolarHBondContact O-N 2.9Å; I635-A638 PolarHBondContact O-N 3.37Å; A638-M640 VanDerWaalsContact C-N 3.34Å; A638-M640 PolarHBondContact O-N 3.39Å; A638-Q641 CarbonylContact O-C 3.53Å; A638-Q641 WeakPolarHBondContact O-CA 3.3Å; A638-Q641 WeakPolarHBondContact O-CB 3.37Å; A638-Q641 PolarHBondContact O-N 2.93Å; A638-G642 PolarHBondContact O-N 3.34Å; A638-E643 HydrophobicContact CB-CB 4.09Å; A638-E643 WeakPolarHBondContact O-CB 3.32Å; A638-E643 PolarHBondContact O-N 3Å
639A90.4Very high92.6Very high4 Ų456.8 Ų56.83%0.03329%0.291CS..Hα-helixtrans-62.2-38.6175.100000112.5H377 I635 L636 Q641 G642H377-A639 HydrophobicContact CB-CB 4.15Å; I635-A639 WeakPolarHBondContact O-CB 3.32Å; I635-A639 PolarHBondContact O-N 3.08Å; L636-A639 PolarHBondContact O-N 2.91Å; A639-Q641 PolarHBondContact O-N 2.98Å; A639-G642 PolarHBondContact O-N 3.26Å; A639-G642 VanDerWaalsContact O-N 3.08Å
640M86.4Confident92.6Very high128 Ų12856.7 Ų56.763%0.63129%0.291SS*.Hα-helixtrans-66.4-22.6171.8-71.417564.800113.5L636 R637 A638 G642L636-M640 VanDerWaalsContact O-CG 3.3Å; L636-M640 WeakPolarHBondContact O-CG 3.19Å; L636-M640 PolarHBondContact O-N 2.91Å; R637-M640 PolarHBondContact O-N 2.61Å; A638-M640 VanDerWaalsContact C-N 3.34Å; A638-M640 PolarHBondContact O-N 3.39Å; M640-G642 VanDerWaalsContact C-N 3.34Å
641Q89.1Confident92.7Very high164 Ų16455.1 Ų55.177%0.76629%0.286SS*.THydrogen-bonded Turntrans-88.5-0.2172.5-69.1168.2-9.400113R637 A638 A639R637-Q641 WeakPolarHBondContact O-CG 3.48Å; R637-Q641 PolarHBondContact O-N 3.46Å; R637-Q641 VanDerWaalsContact O-N 3.12Å; A638-Q641 CarbonylContact O-C 3.53Å; A638-Q641 WeakPolarHBondContact O-CA 3.3Å; A638-Q641 WeakPolarHBondContact O-CB 3.37Å; A638-Q641 PolarHBondContact O-N 2.93Å; A639-Q641 PolarHBondContact O-N 2.98Å
642G86.6Confident92.6Very high52 Ų5251.3 Ų51.354%0.53626%0.263SS..THydrogen-bonded Turntrans107.5-10.617800000115A638 A639 M640 R644A638-G642 PolarHBondContact O-N 3.34Å; A639-G642 PolarHBondContact O-N 3.26Å; A639-G642 VanDerWaalsContact O-N 3.08Å; M640-G642 VanDerWaalsContact C-N 3.34Å; G642-R644 PolarHBondContact O-N 2.94Å
643E88Confident92.3Very high101 Ų10154.2 Ų54.247%0.47228%0.281SS..  trans-77.964.6177.5-67.8-160.4-152.900112.4A638 K645A638-E643 HydrophobicContact CB-CB 4.09Å; A638-E643 WeakPolarHBondContact O-CB 3.32Å; A638-E643 PolarHBondContact O-N 3Å; E643-K645 PolarHBondContact O-N 3.38Å; E643-K645 WeakPolarHBondContact OE2-CE 3.44Å; E643-K645 IonicContact OE2-NZ 2.72Å; E643-K645 PolarHBondContact OE2-NZ 2.81Å
644R87.2Confident91.7Very high128 Ų12855.4 Ų55.448%0.48329%0.289SS..  trans-7466.2179-65.8174.3171.8161.7-4.4111.4E376 H377 L429 G642E376-R644 PolarHBondContact O-NE 3.22Å; E376-R644 PolarHBondContact O-NH2 2.89Å; H377-R644 HydrophobicContact CB-CG 4.17Å; H377-R644 VanDerWaalsContact CD2-CD 3.5Å; H377-R644 WeakPolarHBondContact CD2-CD 3.49Å; L429-R644 WeakPolarHBondContact CD1-O 3.32Å; G642-R644 PolarHBondContact O-N 2.94Å
645K90.6Very high90.5Very high131 Ų13155.6 Ų55.657%0.5728%0.284SS*.  trans-91.4-24.1179.7-68.6169178.31670113.3L429 E643L429-K645 PolarHBondContact N-O 2.87Å; E643-K645 PolarHBondContact O-N 3.38Å; E643-K645 WeakPolarHBondContact OE2-CE 3.44Å; E643-K645 IonicContact OE2-NZ 2.72Å; E643-K645 PolarHBondContact OE2-NZ 2.81Å
646L94.2Very high89.3Confident49 Ų4960.3 Ų60.326%0.25731%0.309SS..EExtended strand (participates in β ladder)trans-137.1148.5-174.7-55.4173.6000110.6H377 W426 L427 P428 I635H377-L646 PolarHBondContact ND1-O 3.15Å; W426-L646 HydrophobicContact CB-CD1 4.32Å; W426-L646 HydrophobicContact CE3-CB 3.66Å; W426-L646 HydrophobicContact CE3-CD1 4.39Å; W426-L646 HydrophobicContact CZ3-CB 4.23Å; L427-L646 CarbonylContact O-C 3.5Å; L427-L646 VanDerWaalsContact O-CA 3.27Å; L427-L646 WeakPolarHBondContact O-CA 3.42Å; P428-L646 HydrophobicContact CB-CD2 4.24Å; I635-L646 HydrophobicContact CD1-CD1 3.76Å; I635-L646 HydrophobicContact CG1-CD1 4.07Å; I635-L646 HydrophobicContact CG2-CB 4.04Å; I635-L646 HydrophobicContact CG2-CD1 3.74Å; I635-L646 HydrophobicContact CG2-CG 4.34Å
647I95Very high88.7Confident0 Ų061.2 Ų61.20%031%0.312CS..EExtended strand (participates in β ladder)trans-103.3133.8167-62.4172.3000108.8W167 W168 V171 V172 P371 W426 L427 L429W167-I647 HydrophobicContact CH2-CD1 3.71Å; W167-I647 HydrophobicContact CH2-CG1 4.08Å; W167-I647 HydrophobicContact CH2-CG2 4.08Å; W167-I647 HydrophobicContact CZ3-CD1 3.48Å; W167-I647 VanDerWaalsContact CZ3-CD1 3.48Å; W167-I647 HydrophobicContact CZ3-CG1 4.2Å; W168-I647 HydrophobicContact CB-CD1 4.25Å; V171-I647 HydrophobicContact CG2-CD1 4.01Å; V172-I647 HydrophobicContact CG2-CD1 3.75Å; P371-I647 HydrophobicContact CB-CG2 3.93Å; P371-I647 HydrophobicContact CG-CG2 4.1Å; W426-I647 WeakPolarHBondContact CA-O 3.45Å; L427-I647 HydrophobicContact CB-CB 4.33Å; L427-I647 PolarHBondContact N-O 3Å; L427-I647 PolarHBondContact O-N 2.71Å; L429-I647 HydrophobicContact CD1-CG1 4.36Å; L429-I647 HydrophobicContact CD2-CD1 4.02Å; L429-I647 HydrophobicContact CD2-CG1 4.38Å; L429-I647 HydrophobicContact CG-CD1 4.45Å; L429-I647 HydrophobicContact CG-CG1 4.27Å
648F96.5Very high88.2Confident1 Ų159.5 Ų59.50%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-83.4128171.2-167.5-141.3000109.3P371 L372 T373 L415 L418 V424 W426P371-F648 CarbonylContact C-O 3.54Å; P371-F648 WeakPolarHBondContact CA-O 3.06Å; L372-F648 HydrophobicContact CB-CD1 3.79Å; L372-F648 HydrophobicContact CB-CE1 4.22Å; L372-F648 HydrophobicContact CB-CG 4.44Å; L372-F648 HydrophobicContact CD1-CD1 4.27Å; L372-F648 HydrophobicContact CD1-CE1 4.01Å; L372-F648 HydrophobicContact CD1-CZ 4.34Å; L372-F648 PolarHBondContact N-O 3.38Å; T373-F648 HydrophobicContact CG2-CB 4.15Å; L415-F648 HydrophobicContact CD2-CD1 4.41Å; L415-F648 HydrophobicContact CD2-CE1 3.63Å; L415-F648 HydrophobicContact CD2-CZ 3.87Å; L418-F648 HydrophobicContact CD1-CE1 3.73Å; L418-F648 HydrophobicContact CD1-CZ 4.46Å; V424-F648 HydrophobicContact CB-CE2 3.73Å; V424-F648 HydrophobicContact CB-CZ 4Å; V424-F648 HydrophobicContact CG1-CE2 4.24Å; V424-F648 HydrophobicContact CG1-CZ 3.99Å; V424-F648 HydrophobicContact CG2-CE2 3.93Å; V424-F648 HydrophobicContact CG2-CZ 4.2Å; W426-F648 HydrophobicContact CD2-CB 4.4Å; W426-F648 AromaticContact CD2-CD2 3.87Å; W426-F648 HydrophobicContact CD2-CD2 3.87Å; W426-F648 AromaticContact CE2-CD2 3.43Å; W426-F648 VanDerWaalsContact CE2-CD2 3.43Å; W426-F648 AromaticContact CE2-CE2 3.99Å; W426-F648 HydrophobicContact CE3-CB 3.92Å; W426-F648 HydrophobicContact CE3-CD2 4.27Å; W426-F648 HydrophobicContact CG-CD2 4.46Å; W426-F648 HydrophobicContact CH2-CB 3.59Å; W426-F648 HydrophobicContact CH2-CD2 4.01Å; W426-F648 AromaticContact CH2-CG 3.9Å; W426-F648 HydrophobicContact CH2-CG 3.9Å; W426-F648 HydrophobicContact CZ2-CB 4.03Å; W426-F648 AromaticContact CZ2-CD2 3.5Å; W426-F648 HydrophobicContact CZ2-CD2 3.5Å; W426-F648 VanDerWaalsContact CZ2-CD2 3.5Å; W426-F648 HydrophobicContact CZ2-CE2 4.08Å; W426-F648 AromaticContact CZ2-CG 3.83Å; W426-F648 HydrophobicContact CZ2-CG 3.83Å; W426-F648 HydrophobicContact CZ3-CB 3.52Å; W426-F648 HydrophobicContact CZ3-CD2 4.36Å; W426-F648 HydrophobicContact CZ3-CG 4.25Å; W426-F648 AromaticContact NE1-CD2 3.76Å; W426-F648 AromaticContact NE1-CE2 3.92Å
649A97.3Very high87.9Confident0 Ų063.3 Ų63.30%033%0.332CS..EExtended strand (participates in β ladder)trans-141.7161.2-17600000112.6V369 I370 V424 T425 L427V369-A649 HydrophobicContact CB-CB 4.46Å; I370-A649 CarbonylContact O-C 2.98Å; I370-A649 VanDerWaalsContact O-CA 3.32Å; I370-A649 WeakPolarHBondContact O-CA 3.38Å; I370-A649 WeakPolarHBondContact O-CB 3.4Å; V424-A649 CarbonylContact C-O 3.5Å; V424-A649 VanDerWaalsContact CA-O 3.28Å; V424-A649 WeakPolarHBondContact CA-O 3.46Å; T425-A649 HydrophobicContact CG2-CB 4.06Å; T425-A649 PolarHBondContact N-O 3.32Å; T425-A649 PolarHBondContact O-N 3.28Å; L427-A649 HydrophobicContact CD1-CB 3.79Å; L427-A649 HydrophobicContact CG-CB 4.1Å
650S97Very high87.6Confident0 Ų065.6 Ų65.60%034%0.342CS..EExtended strand (participates in β ladder)trans-98.7139.5160.9-170.50000109.5P342 V369 I370 T423P342-S650 VanDerWaalsContact CD-OG 3.31Å; P342-S650 WeakPolarHBondContact CD-OG 3.19Å; V369-S650 WeakPolarHBondContact CA-O 3.26Å; I370-S650 PolarHBondContact N-O 2.95Å; I370-S650 PolarHBondContact O-N 2.9Å; T423-S650 PolarHBondContact O-OG 3.33Å
651L94.6Very high87.7Confident61 Ų6159.8 Ų59.832%0.31931%0.313SS..EExtended strand (participates in β ladder)trans-69.3142.6163.7-172.565.8000109.5V369 T423V369-L651 HydrophobicContact CG1-CD1 4.18Å; T423-L651 HydrophobicContact CG2-CB 4.19Å; T423-L651 HydrophobicContact CG2-CD2 4.33Å; T423-L651 PolarHBondContact O-N 2.96Å
652L93.5Very high87.6Confident7 Ų755.1 Ų55.14%0.03729%0.291CS..  trans-105.5116.5171.6-61.8174.3000108.6L178 P342 V344 V368 I370 T654L178-L652 HydrophobicContact CD1-CD1 4.15Å; L178-L652 HydrophobicContact CD2-CD1 4.27Å; P342-L652 HydrophobicContact CG-CD2 3.65Å; V344-L652 HydrophobicContact CG2-CD1 3.96Å; V344-L652 HydrophobicContact CG2-CD2 3.49Å; V344-L652 VanDerWaalsContact CG2-CD2 3.49Å; V344-L652 HydrophobicContact CG2-CG 4.39Å; V368-L652 HydrophobicContact CB-CB 4.21Å; V368-L652 HydrophobicContact CG1-CB 3.87Å; V368-L652 HydrophobicContact CG1-CD1 3.85Å; V368-L652 HydrophobicContact CG1-CG 4.43Å; V368-L652 WeakPolarHBondContact O-CB 3.46Å; V368-L652 PolarHBondContact O-N 2.96Å; I370-L652 HydrophobicContact CB-CD1 4.26Å; I370-L652 HydrophobicContact CG2-CD1 4.4Å; I370-L652 HydrophobicContact CG2-CD2 3.88Å; I370-L652 HydrophobicContact CG2-CG 4.24Å; L652-T654 PolarHBondContact O-N 3.09Å
653T89.7Confident87.7Confident63 Ų6357.8 Ų57.839%0.38729%0.29SS..  trans-72.3112.1170.7-57.50000108.6C128 T129 S341C128-T653 CarbonylContact C-O 3.47Å; C128-T653 VanDerWaalsContact CA-O 3.24Å; C128-T653 WeakPolarHBondContact CA-O 3.43Å; T129-T653 PolarHBondContact N-O 3.34Å; S341-T653 PolarHBondContact OG-N 2.88Å
654T82.4Confident87.8Confident45 Ų4553 Ų5328%0.27627%0.267SS..BIsolated β-bridgetrans-100.5143.516258.80000108.6Q131 V368 L652Q131-T654 VanDerWaalsContact CD-CB 3.46Å; Q131-T654 HydrophobicContact CG-CG2 3.69Å; Q131-T654 VanDerWaalsContact OE1-CB 3.28Å; Q131-T654 PolarHBondContact OE1-OG1 3.1Å; V368-T654 HydrophobicContact CB-CG2 4.32Å; V368-T654 HydrophobicContact CG1-CG2 4.15Å; V368-T654 HydrophobicContact CG2-CG2 4.19Å; L652-T654 PolarHBondContact O-N 3.09Å
655S68.9Low87.9Confident43 Ų4347 Ų4730%0.30125%0.245SC..  trans-113.4163.3171.971.60000109.4C128C128-S655 WeakPolarHBondContact CB-OG 3.18Å; C128-S655 PolarHBondContact SG-OG 3.46Å
656N69.4Low87.9Confident137 Ų13746 Ų4673%0.73324%0.242SC*.PPolyproline II helixtrans-52.4146.9156.4-169.818.2000109.5
657R81.4Confident87.6Confident21 Ų2151 Ų518%0.07926%0.258CS..PPolyproline II helixtrans-61.9148-176.8-71.5-162.1-171.392.119.6112.5Q131 L132 E359 Q661 E662Q131-R657 PolarHBondContact O-NE 3.03Å; Q131-R657 PolarHBondContact O-NH2 2.69Å; L132-R657 PolarHBondContact O-NH2 3.25Å; L132-R657 VanDerWaalsContact O-NH2 3.1Å; E359-R657 IonicContact OE1-CZ 2.72Å; E359-R657 IonicContact OE1-NE 3.68Å; E359-R657 IonicContact OE1-NH1 2.98Å; E359-R657 PolarHBondContact OE1-NH1 3.15Å; E359-R657 VanDerWaalsContact OE1-NH1 3.1Å; E359-R657 IonicContact OE1-NH2 2.73Å; E359-R657 PolarHBondContact OE1-NH2 3.32Å; E359-R657 IonicContact OE2-CZ 2.92Å; E359-R657 IonicContact OE2-NH1 3.48Å; E359-R657 PolarHBondContact OE2-NH1 3.42Å; E359-R657 IonicContact OE2-NH2 3.25Å; E359-R657 PolarHBondContact OE2-NH2 3.4Å; R657-Q661 HydrophobicContact CB-CB 4.18Å; R657-Q661 HydrophobicContact CG-CB 4.42Å; R657-E662 HydrophobicContact CB-CB 4.39Å; R657-E662 WeakPolarHBondContact CD-OE2 3.41Å; R657-E662 IonicContact CZ-OE2 3.77Å; R657-E662 IonicContact NE-OE2 3.15Å; R657-E662 IonicContact NH1-OE2 2.81Å; R657-E662 PolarHBondContact NH1-OE2 2.93Å
658Q81.9Confident87.4Confident90 Ų9051 Ų5142%0.42126%0.258SS..PPolyproline II helixtrans-67.4147.2162.6-61.6-60.1-30.900109.6F660 Q661 E662Q658-F660 HydrophobicContact CB-CD1 3.63Å; Q658-F660 HydrophobicContact CB-CE1 3.44Å; Q658-F660 VanDerWaalsContact CB-CE1 3.44Å; Q658-F660 HydrophobicContact CB-CZ 4.27Å; Q658-F660 HydrophobicContact CG-CE1 3.93Å; Q658-F660 PolarHBondContact O-N 3.42Å; Q658-F660 VanDerWaalsContact O-N 3.11Å; Q658-Q661 HydrophobicContact CB-CG 4.09Å; Q658-Q661 WeakPolarHBondContact O-CA 3.45Å; Q658-Q661 WeakPolarHBondContact O-CB 3.15Å; Q658-Q661 PolarHBondContact O-N 3.29Å; Q658-E662 PolarHBondContact O-N 3.2Å
659P84.9Confident87.2Confident104 Ų10451.7 Ų51.768%0.67526%0.261SS*.Hα-helixtrans-53.8-37.5-176.8-2935.8000114Q661 E662 E663P659-Q661 VanDerWaalsContact C-N 3.35Å; P659-Q661 PolarHBondContact O-N 3.18Å; P659-E662 PolarHBondContact O-N 3.06Å; P659-E663 PolarHBondContact O-N 3.33Å
660F85.1Confident86.9Confident53 Ų5354.5 Ų54.523%0.23228%0.281CS..Hα-helixtrans-68.4-30.8176.678.1-93.2000113I103 A107 F201 Q658 M664I103-F660 HydrophobicContact CG2-CB 3.94Å; A107-F660 HydrophobicContact CB-CD2 3.63Å; A107-F660 HydrophobicContact CB-CE2 3.77Å; A107-F660 HydrophobicContact CB-CG 4.1Å; A107-F660 HydrophobicContact CB-CZ 4.33Å; F201-F660 HydrophobicContact CD1-CE2 4.38Å; F201-F660 HydrophobicContact CE1-CE2 4.04Å; Q658-F660 HydrophobicContact CB-CD1 3.63Å; Q658-F660 HydrophobicContact CB-CE1 3.44Å; Q658-F660 VanDerWaalsContact CB-CE1 3.44Å; Q658-F660 HydrophobicContact CB-CZ 4.27Å; Q658-F660 HydrophobicContact CG-CE1 3.93Å; Q658-F660 PolarHBondContact O-N 3.42Å; Q658-F660 VanDerWaalsContact O-N 3.11Å; F660-M664 HydrophobicContact CD2-CE 3.83Å; F660-M664 HydrophobicContact CD2-SD 4.47Å; F660-M664 HydrophobicContact CE2-CE 3.87Å; F660-M664 WeakPolarHBondContact O-CB 3.41Å; F660-M664 WeakPolarHBondContact O-CG 3.16Å; F660-M664 PolarHBondContact O-N 3.47Å
661Q87.8Confident86.5Confident6 Ų657.4 Ų57.43%0.02830%0.297CS..Hα-helixtrans-70.5-41.4177.5-65.5174.9-39.800110.8F130 M198 W199 R657 Q658 P659 M664 I665F130-Q661 HydrophobicContact CE2-CB 4.37Å; M198-Q661 PolarHBondContact O-NE2 3.46Å; W199-Q661 PolarHBondContact O-NE2 3.2Å; W199-Q661 VanDerWaalsContact O-NE2 3.16Å; R657-Q661 HydrophobicContact CB-CB 4.18Å; R657-Q661 HydrophobicContact CG-CB 4.42Å; Q658-Q661 HydrophobicContact CB-CG 4.09Å; Q658-Q661 WeakPolarHBondContact O-CA 3.45Å; Q658-Q661 WeakPolarHBondContact O-CB 3.15Å; Q658-Q661 PolarHBondContact O-N 3.29Å; P659-Q661 VanDerWaalsContact C-N 3.35Å; P659-Q661 PolarHBondContact O-N 3.18Å; Q661-M664 HydrophobicContact CB-CE 4.5Å; Q661-M664 HydrophobicContact CG-CE 4.23Å; Q661-M664 PolarHBondContact O-N 3.17Å; Q661-I665 WeakPolarHBondContact O-CB 3.32Å; Q661-I665 WeakPolarHBondContact O-CD1 3.28Å; Q661-I665 VanDerWaalsContact O-CG1 3.27Å; Q661-I665 WeakPolarHBondContact O-CG1 3.26Å; Q661-I665 PolarHBondContact O-N 3.14Å
662E88.6Confident86.4Confident66 Ų6654.5 Ų54.531%0.30828%0.281SS..Hα-helixtrans-63.7-45.7174-174.456.5-153.700111.1R657 Q658 P659 M664 I665 Q666R657-E662 HydrophobicContact CB-CB 4.39Å; R657-E662 WeakPolarHBondContact CD-OE2 3.41Å; R657-E662 IonicContact CZ-OE2 3.77Å; R657-E662 IonicContact NE-OE2 3.15Å; R657-E662 IonicContact NH1-OE2 2.81Å; R657-E662 PolarHBondContact NH1-OE2 2.93Å; Q658-E662 PolarHBondContact O-N 3.2Å; P659-E662 PolarHBondContact O-N 3.06Å; E662-M664 PolarHBondContact O-N 3.39Å; E662-I665 PolarHBondContact O-N 2.96Å; E662-Q666 WeakPolarHBondContact O-CB 3.41Å; E662-Q666 WeakPolarHBondContact O-CG 3.32Å; E662-Q666 PolarHBondContact O-N 3.01Å; E662-Q666 PolarHBondContact OE1-NE2 2.77Å
663E88.7Confident86.3Confident108 Ų10857.6 Ų57.651%0.50530%0.296SS..Hα-helixtrans-60.1-44174.7-162.8-171.9171.500112.1I103 P659 I665 R667I103-E663 HydrophobicContact CD1-CB 4.24Å; I103-E663 VanDerWaalsContact CD1-CD 3.46Å; I103-E663 HydrophobicContact CD1-CG 3.62Å; I103-E663 WeakPolarHBondContact CD1-OE1 3.5Å; I103-E663 HydrophobicContact CG1-CG 4.44Å; P659-E663 PolarHBondContact O-N 3.33Å; E663-I665 VanDerWaalsContact C-N 3.3Å; E663-I665 PolarHBondContact O-N 2.69Å; E663-R667 VanDerWaalsContact O-CB 3.26Å; E663-R667 WeakPolarHBondContact O-CB 3.33Å; E663-R667 PolarHBondContact O-N 3.41Å
664M88.8Confident86.4Confident0 Ų058.9 Ų58.90%030%0.3CS..Hα-helixtrans-59.6-39.4176.2-77.2-166.4-55.200112.7I96 S100 I103 V104 W199 F201 F660 Q661 E662 Y668I96-M664 HydrophobicContact CG2-CB 3.89Å; S100-M664 WeakPolarHBondContact OG-CA 3.41Å; S100-M664 PolarHBondContact OG-O 2.96Å; I103-M664 HydrophobicContact CB-CG 4.28Å; I103-M664 HydrophobicContact CG2-CG 3.81Å; V104-M664 HydrophobicContact CG2-CG 4.43Å; V104-M664 HydrophobicContact CG2-SD 3.47Å; V104-M664 WeakPolarHBondContact CG2-SD 3.18Å; W199-M664 WeakPolarHBondContact O-CE 3.31Å; F201-M664 HydrophobicContact CB-SD 4.48Å; F201-M664 HydrophobicContact CD1-CE 4.17Å; F201-M664 HydrophobicContact CD1-SD 4.19Å; F660-M664 HydrophobicContact CD2-CE 3.83Å; F660-M664 HydrophobicContact CD2-SD 4.47Å; F660-M664 HydrophobicContact CE2-CE 3.87Å; F660-M664 WeakPolarHBondContact O-CB 3.41Å; F660-M664 WeakPolarHBondContact O-CG 3.16Å; F660-M664 PolarHBondContact O-N 3.47Å; Q661-M664 HydrophobicContact CB-CE 4.5Å; Q661-M664 HydrophobicContact CG-CE 4.23Å; Q661-M664 PolarHBondContact O-N 3.17Å; E662-M664 PolarHBondContact O-N 3.39Å; M664-Y668 WeakPolarHBondContact O-CB 3.34Å; M664-Y668 PolarHBondContact O-N 2.79Å
665I89.7Confident86.8Confident2 Ų258.7 Ų58.71%0.0129%0.294CS..Hα-helixtrans-75.6-45.9-178.2-72.7163.7000110.9I96 F130 P133 Q661 E662 E663 R667 Y668 L669I96-I665 HydrophobicContact CD1-CG1 4.36Å; I96-I665 HydrophobicContact CG2-CG1 4.39Å; F130-I665 HydrophobicContact CE2-CD1 3.86Å; F130-I665 HydrophobicContact CZ-CD1 3.66Å; F130-I665 HydrophobicContact CZ-CG1 4.19Å; P133-I665 HydrophobicContact CB-CG2 4.23Å; P133-I665 HydrophobicContact CG-CG2 3.81Å; Q661-I665 WeakPolarHBondContact O-CB 3.32Å; Q661-I665 WeakPolarHBondContact O-CD1 3.28Å; Q661-I665 VanDerWaalsContact O-CG1 3.27Å; Q661-I665 WeakPolarHBondContact O-CG1 3.26Å; Q661-I665 PolarHBondContact O-N 3.14Å; E662-I665 PolarHBondContact O-N 2.96Å; E663-I665 VanDerWaalsContact C-N 3.3Å; E663-I665 PolarHBondContact O-N 2.69Å; I665-R667 PolarHBondContact O-N 3.12Å; I665-Y668 PolarHBondContact O-N 3.32Å; I665-L669 HydrophobicContact CG2-CD1 3.65Å; I665-L669 HydrophobicContact CG2-CG 4.26Å; I665-L669 WeakPolarHBondContact O-CB 3.3Å; I665-L669 VanDerWaalsContact O-CG 3.27Å; I665-L669 WeakPolarHBondContact O-CG 3.45Å; I665-L669 PolarHBondContact O-N 2.96Å
666Q89.6Confident87.9Confident111 Ų11157.8 Ų57.852%0.51929%0.285SS..Hα-helixtrans-57.8-39.8174.4-70.5179.211.700111.2E662 L669 S670E662-Q666 WeakPolarHBondContact O-CB 3.41Å; E662-Q666 WeakPolarHBondContact O-CG 3.32Å; E662-Q666 PolarHBondContact O-N 3.01Å; E662-Q666 PolarHBondContact OE1-NE2 2.77Å; Q666-L669 PolarHBondContact O-N 3.46Å; Q666-S670 PolarHBondContact O-N 2.85Å
667R88.6Confident89Confident152 Ų15257 Ų5757%0.57427%0.272SS*.Hα-helixtrans-66.2-43.9176.2-169.768.4-172.3167.26.8112.6A99 E663 I665 D671A99-R667 VanDerWaalsContact O-CG 3.25Å; A99-R667 WeakPolarHBondContact O-CG 3.14Å; E663-R667 VanDerWaalsContact O-CB 3.26Å; E663-R667 WeakPolarHBondContact O-CB 3.33Å; E663-R667 PolarHBondContact O-N 3.41Å; I665-R667 PolarHBondContact O-N 3.12Å; R667-D671 PolarHBondContact O-N 3.25Å
668Y90.8Very high89.5Confident1 Ų158.9 Ų58.90%0.00429%0.291CS..Hα-helixtrans-60.3-46.2172.8165.4-92.6000112.2R94 I96 I146 L150 M664 I665 S670 D671 A672R94-Y668 VanDerWaalsContact O-CD2 3.26Å; R94-Y668 WeakPolarHBondContact O-CD2 3.29Å; R94-Y668 WeakPolarHBondContact O-CE2 3.3Å; I96-Y668 HydrophobicContact CG1-CD1 4.21Å; I96-Y668 HydrophobicContact CG1-CD2 4.15Å; I96-Y668 HydrophobicContact CG1-CG 3.85Å; I146-Y668 HydrophobicContact CG2-CE1 4.08Å; L150-Y668 HydrophobicContact CD1-CD1 4.4Å; L150-Y668 HydrophobicContact CD1-CE1 3.72Å; L150-Y668 HydrophobicContact CD2-CD2 4.34Å; L150-Y668 HydrophobicContact CD2-CE1 3.95Å; L150-Y668 HydrophobicContact CD2-CE2 3.72Å; L150-Y668 HydrophobicContact CG-CE1 3.95Å; L150-Y668 HydrophobicContact CG-CE2 4.39Å; M664-Y668 WeakPolarHBondContact O-CB 3.34Å; M664-Y668 PolarHBondContact O-N 2.79Å; I665-Y668 PolarHBondContact O-N 3.32Å; Y668-S670 PolarHBondContact O-N 2.67Å; Y668-D671 PolarHBondContact O-N 3.06Å; Y668-A672 HydrophobicContact CE1-CB 4.16Å; Y668-A672 HydrophobicContact CE2-CB 4.48Å; Y668-A672 WeakPolarHBondContact O-CB 3.48Å; Y668-A672 PolarHBondContact O-N 3.36Å
669L91.6Very high89.9Confident16 Ų1657 Ų578%0.08428%0.283CS..Hα-helixtrans-64.1-41.5-177.4-71.1165.3000111.8P133 Y138 I146 I665 Q666 D671 A672 E673P133-L669 HydrophobicContact CG-CD1 4.41Å; Y138-L669 HydrophobicContact CE2-CD2 4.34Å; I146-L669 HydrophobicContact CD1-CD2 3.69Å; I665-L669 HydrophobicContact CG2-CD1 3.65Å; I665-L669 HydrophobicContact CG2-CG 4.26Å; I665-L669 WeakPolarHBondContact O-CB 3.3Å; I665-L669 VanDerWaalsContact O-CG 3.27Å; I665-L669 WeakPolarHBondContact O-CG 3.45Å; I665-L669 PolarHBondContact O-N 2.96Å; Q666-L669 PolarHBondContact O-N 3.46Å; L669-D671 PolarHBondContact O-N 3.47Å; L669-A672 PolarHBondContact O-N 3.43Å; L669-E673 PolarHBondContact O-N 2.89Å
670S91.1Very high90.1Very high58 Ų5855.8 Ų55.841%0.40627%0.268SS..Hα-helixtrans-61.8-40.9174.9-176.80000112.7Q666 Y668 D674Q666-S670 PolarHBondContact O-N 2.85Å; Y668-S670 PolarHBondContact O-N 2.67Å; S670-D674 PolarHBondContact O-N 3Å
671D89.8Confident90.5Very high62 Ų6256.1 Ų56.133%0.33227%0.27SS..Hα-helixtrans-71.6-38.2176.9171.969.7000111.7R667 Y668 L669 E673 D674 R675R667-D671 PolarHBondContact O-N 3.25Å; Y668-D671 PolarHBondContact O-N 3.06Å; L669-D671 PolarHBondContact O-N 3.47Å; D671-E673 PolarHBondContact O-N 3.42Å; D671-D674 PolarHBondContact O-N 3.46Å; D671-R675 WeakPolarHBondContact O-CG 3.38Å; D671-R675 PolarHBondContact O-N 3.45Å; D671-R675 PolarHBondContact O-NE 2.94Å; D671-R675 IonicContact OD1-NE 2.95Å; D671-R675 IonicContact OD2-CZ 3.1Å; D671-R675 IonicContact OD2-NE 3.58Å; D671-R675 PolarHBondContact OD2-NE 3.05Å; D671-R675 IonicContact OD2-NH2 2.74Å; D671-R675 PolarHBondContact OD2-NH2 3.19Å
672A91.2Very high90.6Very high0 Ų059.6 Ų59.60%029%0.287CS..Hα-helixtrans-62.7-39.8173.300000112F142 F145 I146 Y668 L669 R675 F676F142-A672 HydrophobicContact CE2-CB 4.19Å; F142-A672 HydrophobicContact CZ-CB 4.23Å; F145-A672 HydrophobicContact CE1-CB 4.2Å; F145-A672 VanDerWaalsContact CE1-O 3.32Å; F145-A672 WeakPolarHBondContact CE1-O 3.22Å; I146-A672 HydrophobicContact CG1-CB 4.41Å; Y668-A672 HydrophobicContact CE1-CB 4.16Å; Y668-A672 HydrophobicContact CE2-CB 4.48Å; Y668-A672 WeakPolarHBondContact O-CB 3.48Å; Y668-A672 PolarHBondContact O-N 3.36Å; L669-A672 PolarHBondContact O-N 3.43Å; A672-R675 PolarHBondContact O-N 2.75Å; A672-F676 WeakPolarHBondContact O-CB 3.14Å; A672-F676 PolarHBondContact O-N 3.2Å
673E92.1Very high90.6Very high72 Ų7261.5 Ų61.534%0.33630%0.295SS..Hα-helixtrans-60-46.6173.9-83.3-166.4-161.900112.3F142 L669 D671 R675 F676 R677F142-E673 HydrophobicContact CE1-CG 3.73Å; F142-E673 HydrophobicContact CE2-CB 4.49Å; F142-E673 HydrophobicContact CE2-CG 4.15Å; F142-E673 HydrophobicContact CZ-CB 4.12Å; F142-E673 HydrophobicContact CZ-CG 3.42Å; F142-E673 VanDerWaalsContact CZ-CG 3.42Å; L669-E673 PolarHBondContact O-N 2.89Å; D671-E673 PolarHBondContact O-N 3.42Å; E673-R675 VanDerWaalsContact C-N 3.35Å; E673-F676 PolarHBondContact O-N 3.21Å; E673-R677 WeakPolarHBondContact O-CB 3.11Å; E673-R677 WeakPolarHBondContact O-CG 3.39Å; E673-R677 PolarHBondContact O-N 3.24Å; E673-R677 IonicContact OE2-CZ 3.99Å; E673-R677 IonicContact OE2-NH1 3.26Å; E673-R677 PolarHBondContact OE2-NH1 2.95Å; E673-R677 IonicContact OE2-NH2 2.67Å; E673-R677 PolarHBondContact OE2-NH2 3.31Å
674D91.9Very high90.7Very high89 Ų8962.2 Ų62.248%0.47629%0.293SS..Hα-helixtrans-66.1-38.4179.3-80.5-27.8000111.8S670 D671 R677 A678S670-D674 PolarHBondContact O-N 3Å; D671-D674 PolarHBondContact O-N 3.46Å; D674-R677 PolarHBondContact O-N 3.03Å; D674-R677 IonicContact OD1-CZ 3.59Å; D674-R677 VanDerWaalsContact OD1-CZ 3.25Å; D674-R677 IonicContact OD1-NE 2.94Å; D674-R677 PolarHBondContact OD1-NE 3.03Å; D674-R677 IonicContact OD1-NH2 3.35Å; D674-R677 PolarHBondContact OD1-NH2 2.96Å; D674-A678 WeakPolarHBondContact O-CB 3.27Å; D674-A678 PolarHBondContact O-N 2.74Å
675R90.8Very high90.9Very high41 Ų4167.7 Ų67.716%0.15531%0.314CS..Hα-helixtrans-66.7-37.1173.4-69.7-176.6-77.3112.5-15.8112.5R94 F145 D149 D671 A672 E673 A678 E679R94-R675 PolarHBondContact O-NH2 3.24Å; F145-R675 HydrophobicContact CE1-CB 4.26Å; F145-R675 HydrophobicContact CZ-CB 3.72Å; D149-R675 IonicContact OD2-CZ 3.72Å; D149-R675 IonicContact OD2-NH1 2.75Å; D149-R675 PolarHBondContact OD2-NH1 2.91Å; D149-R675 IonicContact OD2-NH2 2.77Å; D671-R675 WeakPolarHBondContact O-CG 3.38Å; D671-R675 PolarHBondContact O-N 3.45Å; D671-R675 PolarHBondContact O-NE 2.94Å; D671-R675 IonicContact OD1-NE 2.95Å; D671-R675 IonicContact OD2-CZ 3.1Å; D671-R675 IonicContact OD2-NE 3.58Å; D671-R675 PolarHBondContact OD2-NE 3.05Å; D671-R675 IonicContact OD2-NH2 2.74Å; D671-R675 PolarHBondContact OD2-NH2 3.19Å; A672-R675 PolarHBondContact O-N 2.75Å; E673-R675 VanDerWaalsContact C-N 3.35Å; R675-A678 PolarHBondContact O-N 3.47Å; R675-E679 WeakPolarHBondContact O-CB 3.08Å; R675-E679 PolarHBondContact O-N 3.22Å
676F93.2Very high90.8Very high25 Ų2570 Ų7011%0.1133%0.327CS..Hα-helixtrans-67-43.5173.5178.6-108.4000111.8D141 F142 F145 A672 E673 A678 E679 Q680D141-F676 HydrophobicContact CB-CE2 4.47Å; D141-F676 HydrophobicContact CB-CZ 3.98Å; D141-F676 WeakPolarHBondContact O-CE2 3.24Å; F142-F676 HydrophobicContact CB-CD1 4.21Å; F142-F676 HydrophobicContact CB-CE1 3.99Å; F142-F676 HydrophobicContact CB-CZ 4.16Å; F142-F676 HydrophobicContact CD2-CB 3.72Å; F142-F676 AromaticContact CD2-CD1 3.79Å; F142-F676 HydrophobicContact CD2-CD1 3.79Å; F142-F676 HydrophobicContact CD2-CD2 4.16Å; F142-F676 HydrophobicContact CD2-CE1 4.42Å; F142-F676 AromaticContact CD2-CG 3.63Å; F142-F676 HydrophobicContact CD2-CG 3.63Å; F142-F676 HydrophobicContact CE2-CB 3.91Å; F142-F676 HydrophobicContact CE2-CG 4.32Å; F142-F676 HydrophobicContact CG-CD1 4.29Å; F142-F676 HydrophobicContact CG-CG 4.5Å; F145-F676 HydrophobicContact CB-CD2 3.67Å; F145-F676 HydrophobicContact CB-CE2 4.18Å; F145-F676 HydrophobicContact CD1-CB 4Å; F145-F676 HydrophobicContact CD1-CD2 4.42Å; F145-F676 HydrophobicContact CD2-CB 4.3Å; F145-F676 AromaticContact CD2-CD2 3.84Å; F145-F676 HydrophobicContact CD2-CD2 3.84Å; F145-F676 HydrophobicContact CE1-CB 4.13Å; F145-F676 HydrophobicContact CE2-CB 4.42Å; F145-F676 HydrophobicContact CG-CB 4.11Å; F145-F676 AromaticContact CG-CD2 3.73Å; F145-F676 HydrophobicContact CG-CD2 3.73Å; F145-F676 HydrophobicContact CG-CG 4.35Å; F145-F676 HydrophobicContact CZ-CB 4.34Å; A672-F676 WeakPolarHBondContact O-CB 3.14Å; A672-F676 PolarHBondContact O-N 3.2Å; E673-F676 PolarHBondContact O-N 3.21Å; F676-A678 VanDerWaalsContact C-N 3.28Å; F676-A678 PolarHBondContact O-N 3.43Å; F676-E679 PolarHBondContact O-N 2.96Å; F676-Q680 HydrophobicContact CD1-CG 4.42Å; F676-Q680 HydrophobicContact CD2-CG 4.5Å; F676-Q680 HydrophobicContact CE1-CG 4.11Å; F676-Q680 HydrophobicContact CE2-CG 4.2Å; F676-Q680 HydrophobicContact CZ-CG 4Å; F676-Q680 VanDerWaalsContact CZ-NE2 3.31Å; F676-Q680 WeakPolarHBondContact O-CG 3.09Å; F676-Q680 PolarHBondContact O-N 2.86Å
677R92.4Very high90.9Very high121 Ų12167.5 Ų67.546%0.45733%0.325SS..Hα-helixtrans-56.9-42.2172.1-76-175-83.9-94.26.8111.5E673 D674 E681E673-R677 WeakPolarHBondContact O-CB 3.11Å; E673-R677 WeakPolarHBondContact O-CG 3.39Å; E673-R677 PolarHBondContact O-N 3.24Å; E673-R677 IonicContact OE2-CZ 3.99Å; E673-R677 IonicContact OE2-NH1 3.26Å; E673-R677 PolarHBondContact OE2-NH1 2.95Å; E673-R677 IonicContact OE2-NH2 2.67Å; E673-R677 PolarHBondContact OE2-NH2 3.31Å; D674-R677 PolarHBondContact O-N 3.03Å; D674-R677 IonicContact OD1-CZ 3.59Å; D674-R677 VanDerWaalsContact OD1-CZ 3.25Å; D674-R677 IonicContact OD1-NE 2.94Å; D674-R677 PolarHBondContact OD1-NE 3.03Å; D674-R677 IonicContact OD1-NH2 3.35Å; D674-R677 PolarHBondContact OD1-NH2 2.96Å; R677-E681 WeakPolarHBondContact O-CB 3.39Å; R677-E681 PolarHBondContact O-N 3.13Å
678A90.8Very high90.9Very high59 Ų5965 Ų6549%0.48832%0.319SS..Hα-helixtrans-68.1-40.3175.900000113.2D674 R675 F676 E681 Q682D674-A678 WeakPolarHBondContact O-CB 3.27Å; D674-A678 PolarHBondContact O-N 2.74Å; R675-A678 PolarHBondContact O-N 3.47Å; F676-A678 VanDerWaalsContact C-N 3.28Å; F676-A678 PolarHBondContact O-N 3.43Å; A678-E681 PolarHBondContact O-N 3.17Å; A678-Q682 WeakPolarHBondContact O-CB 3.34Å; A678-Q682 PolarHBondContact O-N 2.93Å
679E90.6Very high90.7Very high52 Ų5272.4 Ų72.424%0.24335%0.347CS..Hα-helixtrans-62-43.2174.9-176.4164.1119.900111.1F145 R148 R675 F676 Q682 Q683F145-E679 HydrophobicContact CE2-CB 4.38Å; R148-E679 IonicContact CZ-OE1 3.13Å; R148-E679 IonicContact NH1-OE1 3.29Å; R148-E679 PolarHBondContact NH1-OE1 3.24Å; R148-E679 VanDerWaalsContact NH1-OE1 3.15Å; R148-E679 IonicContact NH1-OE2 3.7Å; R148-E679 IonicContact NH2-OE1 3.62Å; R148-E679 PolarHBondContact NH2-OE1 3.46Å; R675-E679 WeakPolarHBondContact O-CB 3.08Å; R675-E679 PolarHBondContact O-N 3.22Å; F676-E679 PolarHBondContact O-N 2.96Å; E679-Q682 PolarHBondContact O-N 2.95Å; E679-Q683 WeakPolarHBondContact O-CB 3.37Å; E679-Q683 VanDerWaalsContact O-CG 3.3Å; E679-Q683 WeakPolarHBondContact O-CG 3.48Å; E679-Q683 PolarHBondContact O-N 3.39Å
680Q90.2Very high90.2Very high78 Ų7878.4 Ų78.436%0.36437%0.373SS..Hα-helixtrans-65.1-44.9175.8-69.4-70.1-9.300112.9F676 Q682 Q683 R684F676-Q680 HydrophobicContact CD1-CG 4.42Å; F676-Q680 HydrophobicContact CD2-CG 4.5Å; F676-Q680 HydrophobicContact CE1-CG 4.11Å; F676-Q680 HydrophobicContact CE2-CG 4.2Å; F676-Q680 HydrophobicContact CZ-CG 4Å; F676-Q680 VanDerWaalsContact CZ-NE2 3.31Å; F676-Q680 WeakPolarHBondContact O-CG 3.09Å; F676-Q680 PolarHBondContact O-N 2.86Å; Q680-Q682 VanDerWaalsContact C-N 3.32Å; Q680-Q682 PolarHBondContact O-N 3.43Å; Q680-Q683 PolarHBondContact O-N 3Å; Q680-R684 PolarHBondContact O-N 2.64Å
681E91.9Very high89.1Confident59 Ų5977 Ų7728%0.27637%0.368SS..Hα-helixtrans-61.2-41175.6178.263.8-15800111.5R677 A678 R684 R685R677-E681 WeakPolarHBondContact O-CB 3.39Å; R677-E681 PolarHBondContact O-N 3.13Å; A678-E681 PolarHBondContact O-N 3.17Å; E681-R684 VanDerWaalsContact CD-NH2 3.27Å; E681-R684 PolarHBondContact O-N 2.9Å; E681-R684 IonicContact OE1-CZ 3.23Å; E681-R684 IonicContact OE1-NH1 3.59Å; E681-R684 IonicContact OE1-NH2 3.12Å; E681-R684 PolarHBondContact OE1-NH2 3.25Å; E681-R684 IonicContact OE2-CZ 2.81Å; E681-R684 VanDerWaalsContact OE2-CZ 3.26Å; E681-R684 IonicContact OE2-NH1 3.53Å; E681-R684 PolarHBondContact OE2-NH1 2.76Å; E681-R684 IonicContact OE2-NH2 2.9Å; E681-R684 PolarHBondContact OE2-NH2 2.82Å; E681-R685 VanDerWaalsContact O-CG 3.3Å; E681-R685 WeakPolarHBondContact O-CG 3.39Å; E681-R685 PolarHBondContact O-N 2.81Å; E681-R685 IonicContact OE1-CZ 3.5Å; E681-R685 IonicContact OE1-NE 3.81Å; E681-R685 PolarHBondContact OE1-NE 3.3Å; E681-R685 IonicContact OE1-NH2 3.47Å; E681-R685 PolarHBondContact OE1-NH2 3.11Å
682Q89.6Confident87.6Confident80 Ų8078.7 Ų78.737%0.37438%0.38SS..Hα-helixtrans-68-43.6176.7-176.156.436.200111.9A678 E679 Q680 R684 R685 D686A678-Q682 WeakPolarHBondContact O-CB 3.34Å; A678-Q682 PolarHBondContact O-N 2.93Å; E679-Q682 PolarHBondContact O-N 2.95Å; Q680-Q682 VanDerWaalsContact C-N 3.32Å; Q680-Q682 PolarHBondContact O-N 3.43Å; Q682-R684 VanDerWaalsContact C-N 3.32Å; Q682-R684 PolarHBondContact O-N 2.89Å; Q682-R685 PolarHBondContact O-N 2.75Å; Q682-D686 PolarHBondContact NE2-OD1 3.47Å; Q682-D686 PolarHBondContact NE2-OD2 3.18Å; Q682-D686 PolarHBondContact O-N 2.92Å
683Q89.4Confident86Confident106 Ų10683.2 Ų83.250%0.49541%0.408SS..Hα-helixtrans-59.5-41.6174.8-76-177.236.600111.7E679 Q680 D686 A687E679-Q683 WeakPolarHBondContact O-CB 3.37Å; E679-Q683 VanDerWaalsContact O-CG 3.3Å; E679-Q683 WeakPolarHBondContact O-CG 3.48Å; E679-Q683 PolarHBondContact O-N 3.39Å; Q680-Q683 PolarHBondContact O-N 3Å; Q683-D686 PolarHBondContact O-N 3Å; Q683-A687 WeakPolarHBondContact O-CB 3.45Å; Q683-A687 PolarHBondContact O-N 2.94Å
684R91.3Very high84.2Confident122 Ų12286.2 Ų86.246%0.4643%0.426SS..Hα-helixtrans-64.3-45.6176.4-159.2-170.468.3-105.9-10.9111.7Q680 E681 Q682 D686 A687 E688Q680-R684 PolarHBondContact O-N 2.64Å; E681-R684 VanDerWaalsContact CD-NH2 3.27Å; E681-R684 PolarHBondContact O-N 2.9Å; E681-R684 IonicContact OE1-CZ 3.23Å; E681-R684 IonicContact OE1-NH1 3.59Å; E681-R684 IonicContact OE1-NH2 3.12Å; E681-R684 PolarHBondContact OE1-NH2 3.25Å; E681-R684 IonicContact OE2-CZ 2.81Å; E681-R684 VanDerWaalsContact OE2-CZ 3.26Å; E681-R684 IonicContact OE2-NH1 3.53Å; E681-R684 PolarHBondContact OE2-NH1 2.76Å; E681-R684 IonicContact OE2-NH2 2.9Å; E681-R684 PolarHBondContact OE2-NH2 2.82Å; Q682-R684 VanDerWaalsContact C-N 3.32Å; Q682-R684 PolarHBondContact O-N 2.89Å; R684-D686 VanDerWaalsContact C-N 3.32Å; R684-D686 PolarHBondContact O-N 3.4Å; R684-A687 WeakPolarHBondContact O-CB 3.17Å; R684-A687 PolarHBondContact O-N 2.95Å; R684-E688 WeakPolarHBondContact CD-OE1 3.44Å; R684-E688 WeakPolarHBondContact CG-OE1 3.35Å; R684-E688 IonicContact CZ-OE1 2.86Å; R684-E688 IonicContact NE-OE1 2.76Å; R684-E688 PolarHBondContact NE-OE1 3.42Å; R684-E688 IonicContact NH2-OE1 3.51Å; R684-E688 WeakPolarHBondContact O-CB 3.46Å; R684-E688 VanDerWaalsContact O-CG 3.28Å; R684-E688 WeakPolarHBondContact O-CG 3.45Å; R684-E688 PolarHBondContact O-N 3.22Å
685R91.9Very high82.4Confident116 Ų11688.6 Ų88.644%0.43844%0.439SS..Hα-helixtrans-60.1-39.3176.1-71.4169.7-173.5-175.23.1112.8E681 Q682 R689E681-R685 VanDerWaalsContact O-CG 3.3Å; E681-R685 WeakPolarHBondContact O-CG 3.39Å; E681-R685 PolarHBondContact O-N 2.81Å; E681-R685 IonicContact OE1-CZ 3.5Å; E681-R685 IonicContact OE1-NE 3.81Å; E681-R685 PolarHBondContact OE1-NE 3.3Å; E681-R685 IonicContact OE1-NH2 3.47Å; E681-R685 PolarHBondContact OE1-NH2 3.11Å; Q682-R685 PolarHBondContact O-N 2.75Å; R685-R689 WeakPolarHBondContact O-CB 3.43Å; R685-R689 WeakPolarHBondContact O-CD 3.48Å; R685-R689 WeakPolarHBondContact O-CG 3.28Å; R685-R689 PolarHBondContact O-N 3.06Å
686D89.3Confident80.4Confident51 Ų5193.2 Ų93.227%0.27347%0.466SS..Hα-helixtrans-77.4-25.8177.7-70.7-25.4000112.9Q682 Q683 R684 R689 K690Q682-D686 PolarHBondContact NE2-OD1 3.47Å; Q682-D686 PolarHBondContact NE2-OD2 3.18Å; Q682-D686 PolarHBondContact O-N 2.92Å; Q683-D686 PolarHBondContact O-N 3Å; R684-D686 VanDerWaalsContact C-N 3.32Å; R684-D686 PolarHBondContact O-N 3.4Å; D686-R689 WeakPolarHBondContact OD1-CD 3.42Å; D686-R689 IonicContact OD1-CZ 3.73Å; D686-R689 IonicContact OD1-NE 3.95Å; D686-R689 IonicContact OD1-NH1 3.87Å; D686-R689 PolarHBondContact OD1-NH1 3.47Å; D686-K690 WeakPolarHBondContact O-CB 3.28Å; D686-K690 WeakPolarHBondContact O-CD 3.31Å; D686-K690 WeakPolarHBondContact O-CG 3.37Å; D686-K690 PolarHBondContact O-N 2.92Å; D686-K690 VanDerWaalsContact O-N 3.12Å
687A90.3Very high77.9Confident58 Ų58100.4 Ų100.448%0.47950%0.5SS..Hα-helixtrans-69.8-44.216700000111.8Q683 R684 R689 K690 G691Q683-A687 WeakPolarHBondContact O-CB 3.45Å; Q683-A687 PolarHBondContact O-N 2.94Å; R684-A687 WeakPolarHBondContact O-CB 3.17Å; R684-A687 PolarHBondContact O-N 2.95Å; A687-R689 PolarHBondContact O-N 3.36Å; A687-K690 PolarHBondContact O-N 2.98Å; A687-G691 PolarHBondContact O-N 3.14Å
688E89.9Confident75.4Confident98 Ų9899.8 Ų99.846%0.45851%0.511SS..Hα-helixtrans-56.9-48.5173.2-72.5162.2-164.500110.8R684 K690 G691 V692R684-E688 WeakPolarHBondContact CD-OE1 3.44Å; R684-E688 WeakPolarHBondContact CG-OE1 3.35Å; R684-E688 IonicContact CZ-OE1 2.86Å; R684-E688 IonicContact NE-OE1 2.76Å; R684-E688 PolarHBondContact NE-OE1 3.42Å; R684-E688 IonicContact NH2-OE1 3.51Å; R684-E688 WeakPolarHBondContact O-CB 3.46Å; R684-E688 VanDerWaalsContact O-CG 3.28Å; R684-E688 WeakPolarHBondContact O-CG 3.45Å; R684-E688 PolarHBondContact O-N 3.22Å; E688-K690 PolarHBondContact O-N 3.27Å; E688-G691 PolarHBondContact O-N 3.24Å; E688-V692 WeakPolarHBondContact O-CG2 3.4Å; E688-V692 PolarHBondContact O-N 2.84Å
689R86.6Confident73.1Confident157 Ų157103 Ų10359%0.59253%0.527SS*.Hα-helixtrans-57.2-45.5174.9-74.4161.6171.9178.2-6.4112.8R685 D686 A687 V692 T693R685-R689 WeakPolarHBondContact O-CB 3.43Å; R685-R689 WeakPolarHBondContact O-CD 3.48Å; R685-R689 WeakPolarHBondContact O-CG 3.28Å; R685-R689 PolarHBondContact O-N 3.06Å; D686-R689 WeakPolarHBondContact OD1-CD 3.42Å; D686-R689 IonicContact OD1-CZ 3.73Å; D686-R689 IonicContact OD1-NE 3.95Å; D686-R689 IonicContact OD1-NH1 3.87Å; D686-R689 PolarHBondContact OD1-NH1 3.47Å; A687-R689 PolarHBondContact O-N 3.36Å; R689-V692 PolarHBondContact O-N 3.02Å; R689-T693 PolarHBondContact O-N 3.41Å; R689-T693 PolarHBondContact O-OG1 2.79Å
690K80.9Confident70.5Confident143 Ų143110.1 Ų110.162%0.62256%0.558SS**Hα-helixtrans-66.1-36.2176.7-72.5165.7-1731710112.2D686 A687 E688 T693 N694D686-K690 WeakPolarHBondContact O-CB 3.28Å; D686-K690 WeakPolarHBondContact O-CD 3.31Å; D686-K690 WeakPolarHBondContact O-CG 3.37Å; D686-K690 PolarHBondContact O-N 2.92Å; D686-K690 VanDerWaalsContact O-N 3.12Å; A687-K690 PolarHBondContact O-N 2.98Å; E688-K690 PolarHBondContact O-N 3.27Å; K690-T693 WeakPolarHBondContact CA-OG1 3.35Å; K690-T693 PolarHBondContact O-N 3.41Å; K690-T693 PolarHBondContact O-OG1 3.06Å; K690-N694 PolarHBondContact O-N 3.33Å
691G66.4Low68Low29 Ų29115.4 Ų115.430%0.29958%0.579SS.*Hα-helixtrans-65.5-40174.100000112.9A687 E688 N694 N695A687-G691 PolarHBondContact O-N 3.14Å; E688-G691 PolarHBondContact O-N 3.24Å; G691-N694 PolarHBondContact O-N 2.96Å; G691-N695 PolarHBondContact O-N 3.08Å; G691-N695 PolarHBondContact O-ND2 3.18Å
692V60.2Low65.2Low97 Ų97122.1 Ų122.159%0.58861%0.611SS**Hα-helixtrans-64.1-41.8175.3171.40000111.4E688 R689 N694 N695E688-V692 WeakPolarHBondContact O-CG2 3.4Å; E688-V692 PolarHBondContact O-N 2.84Å; R689-V692 PolarHBondContact O-N 3.02Å; V692-N694 VanDerWaalsContact C-N 3.26Å; V692-N694 PolarHBondContact O-N 3.41Å; V692-N695 PolarHBondContact O-N 2.97Å
693T56Low62.6Low94 Ų94126.4 Ų126.458%0.57763%0.631SS**Hα-helixtrans-63.3-27.6177380000114.3R689 K690R689-T693 PolarHBondContact O-N 3.41Å; R689-T693 PolarHBondContact O-OG1 2.79Å; K690-T693 WeakPolarHBondContact CA-OG1 3.35Å; K690-T693 PolarHBondContact O-N 3.41Å; K690-T693 PolarHBondContact O-OG1 3.06Å
694N54.5Low59.9Low135 Ų135129.4 Ų129.472%0.72265%0.649SS**Hα-helixtrans-79.5-19.5177.3-74.5-4.3000113.6K690 G691 V692 L696K690-N694 PolarHBondContact O-N 3.33Å; G691-N694 PolarHBondContact O-N 2.96Å; V692-N694 VanDerWaalsContact C-N 3.26Å; V692-N694 PolarHBondContact O-N 3.41Å; N694-L696 VanDerWaalsContact C-N 3.25Å; N694-L696 PolarHBondContact O-N 2.96Å
695N53.8Low56.9Low140 Ų140127.8 Ų127.875%0.74966%0.657SS**THydrogen-bonded Turntrans-84.510.9-179.4-78.5-61.9000114.2G691 V692G691-N695 PolarHBondContact O-N 3.08Å; G691-N695 PolarHBondContact O-ND2 3.18Å; V692-N695 PolarHBondContact O-N 2.97Å
696L49.2Very low54Low138 Ų138133 Ų13372%0.72368%0.678SS**THydrogen-bonded Turntrans-106.23.8-176.6-86.2158000114.9N694N694-L696 VanDerWaalsContact C-N 3.25Å; N694-L696 PolarHBondContact O-N 2.96Å
697Q41.3Very low51.3Low175 Ų175141.7 Ų141.782%0.81871%0.707SS**SBendtrans-97.7122.5166-70.5-164.21.100110.8
698P40Very low48.8Very low108 Ų108144.5 Ų144.570%0.70172%0.72SS**  trans-72.6143.3173.730.4-33.9000110.6K700P698-K700 PolarHBondContact O-N 2.68Å; P698-K700 VanDerWaalsContact O-N 3.15Å
699P40.9Very low45.8Very low127 Ų127149.7 Ų149.783%0.82574%0.742SS**  trans-68.1114.3179.627.6-33.9000110.6K701P699-K701 PolarHBondContact O-N 3.44Å
700K36.2Very low43.2Very low202 Ų202149.5 Ų149.588%0.87875%0.753SS**  trans-69126.8163.5-76.4-172.5175.5-177.30108.8P698P698-K700 PolarHBondContact O-N 2.68Å; P698-K700 VanDerWaalsContact O-N 3.15Å
701K37.9Very low40.8Very low189 Ų189146.6 Ų146.682%0.82276%0.755SS**  trans-70.1128.3165.7-65-176.3175.3-1690109.3P699P699-K701 PolarHBondContact O-N 3.44Å
702E34.1Very low39.2Very low200 Ų200153.5 Ų153.594%0.93578%0.777SS**  trans-129.3134.7146.4-76.3-173.1152.500107.8
703E34.1Very low37.8Very low170 Ų170156 Ų15679%0.79478%0.782SS**  trans-140.1104.4-168.5178.6179.6-176.500108.9
704L32.6Very low36.5Very low168 Ų168159.7 Ų159.788%0.8879%0.793SS**  trans-175.894.7168.5-100.4151000105.6
705S29.6Very low35.4Very low89 Ų89160.2 Ų160.262%0.62280%0.795SS**  679762.8-162.60000113.4
706Y30.1Very low34.2Very low226 Ų226158.9 Ų158.989%0.88679%0.792SS**  -159.4170.596.3-113.3-88.3000110.9
707R32.5Very low33.2Very low232 Ų232159.9 Ų159.988%0.87579%0.793SS**  trans-96.8159-168.7-95.3-162.1174-141.90.6115
708P37.7Very low32.7Very low117 Ų117158 Ų15876%0.7679%0.794SS**  trans-75.4169.6174.134.5-37.4000112.6
709F27.1Very low32.4Very low207 Ų207160.8 Ų160.891%0.90880%0.802SS**  trans-123.9141.2171.8-132.8-82.4000110.1
710D33Very low32.8Very low154 Ų154160 Ų16082%0.82480%0.797SS**  trans-143.4165.1-178.8-148.3-25.5000108.7
711A30.2Very low33.3Very low81 Ų81156.4 Ų156.467%0.66979%0.794SS**  trans-141.4106.3-16300000117.3
712K32Very low33Very low174 Ų174151.4 Ų151.476%0.75778%0.783SS**  trans61.8155.6162.2-69.7176.5158-75.50116.2
713E31.5Very low32.7Very low149 Ų149151.1 Ų151.170%0.69678%0.779SS**  cis-154.9166.1-23.3-111.8154.617600104.2
714E28.4Very low32.6Very low173 Ų173150.4 Ų150.481%0.80878%0.78SS**  cis-159.8-166.142.2-153.2173.215200110.4
715L31.4Very low33.3Very low146 Ų146148.1 Ų148.176%0.76478%0.776SS**  trans-73.4172.5-172.9-60.481.4000113.6
716T28.4Very low33.4Very low112 Ų112149.9 Ų149.969%0.68778%0.783SS**  cis-165178.626.4-19.10000107.9
717E28.6Very low34.8Very low158 Ų158144.5 Ų144.574%0.73878%0.776SS**  cis-160.6142.21.7-167.8147.1-123.600113.3
718T29.9Very low34.6Very low136 Ų136141.8 Ų141.883%0.83478%0.777SS**  trans62.1166.6159.354.70000122.5
719L33.6Very low34.5Very low166 Ų166140.9 Ų140.987%0.86977%0.774SS**  trans-129.6158.7-160.5-77.6166.2000114.6
720P49.6Very low35.5Very low111 Ų111136.5 Ų136.572%0.72177%0.766SS**  trans-103173170.640.8-35.1000113.9
721P46.5Very low35.3Very low126 Ų126134.1 Ų134.182%0.81876%0.762SS**  trans-126.5165.715538.8-27.7000113
722S31.6Very low35.5Very low85 Ų85137 Ų13759%0.59477%0.766SS**  cis-178.9166.7-26.7-178.10000108.5
723F29.1Very low35.4Very low193 Ų193138.7 Ų138.785%0.84677%0.769SS**  trans90.6116.9160.9-57.7-70.7000122
724N30.8Very low35.2Very low155 Ų155136.4 Ų136.483%0.82977%0.769SS**  trans-95.3-174.7152.4-73.4-38.5000108.6
725P47.8Very low35.3Very low120 Ų120132.3 Ų132.378%0.77976%0.764SS**  cis-138.2-172.95.535-10.7000117.7
726T32.8Very low35.2Very low127 Ų127132.1 Ų132.178%0.77977%0.769SS**  trans-63.3-173.1170.647.60000116.4
727P59.3Low35.7Very low113 Ų113133.3 Ų133.373%0.73477%0.77SS**  cis-133.6-169.4-29.831.4-10.3000113.4
728L27.8Very low36.1Very low174 Ų174131.9 Ų131.991%0.91177%0.774SS**  trans-179.5170.8135-101.2170.6000114.7
729S34.2Very low36.5Very low99 Ų99132.4 Ų132.469%0.69277%0.77SS**  trans-157.4-176.2175.369.80000109.6
730P49.3Very low36.5Very low114 Ų114130.1 Ų130.174%0.7477%0.766SS**  cis-141.1179-4.441.2-22.2000117.6
731S29.1Very low35.6Very low105 Ų105136.1 Ų136.173%0.73477%0.774SS**  trans100.2147135-1420000125.1
732L33.7Very low35.2Very low142 Ų142135.9 Ų135.974%0.74377%0.772SS**  trans94123.7152.7-66-168.8000124.9
733Y29.9Very low35Very low209 Ų209137.2 Ų137.282%0.8278%0.781SS**  trans60.1141.7156.9-78.6-77.9000119.6
734S28.2Very low35.2Very low100 Ų100137.6 Ų137.670%0.69978%0.783SS**  cis-160.5138.710.3-160.50000115.4
735A29.7Very low35.4Very low87 Ų87137.1 Ų137.172%0.71978%0.779SS**  trans62.8150.4139.400000126.8
736V30Very low34.4Very low142 Ų142138.7 Ų138.786%0.86178%0.781SS**  trans94.1141.2158.2-164.20000119
737I37.9Very low34.2Very low138 Ų138140.9 Ų140.971%0.70878%0.782SS**  trans-138.9144.3-163.7-84.1169.1000108.5
738P36.8Very low33.6Very low127 Ų127140 Ų14083%0.82578%0.777SS**  -143.7157.3114.534.3-17.5000116.3
739I39.3Very low33.6Very low147 Ų147140.4 Ų140.475%0.75477%0.774SS**  trans-108.2141.4179.9-60.2159.3000109.5
740P33.3Very low33.6Very low119 Ų119141.9 Ų141.977%0.77378%0.778SS**  trans-97.7144.4163.834.9-29.7000113.1
741R29.7Very low33.4Very low237 Ų237142.4 Ų142.489%0.89478%0.782SS**  trans-143.2175.5169-115.1-160.3173179.3-0.9109.6
742P39.5Very low33.5Very low121 Ų121143.6 Ų143.679%0.78678%0.784SS**  trans-92.7-178.4-131.539.6-40.8000115.8
743S27.3Very low34.3Very low112 Ų112141.9 Ų141.978%0.78378%0.782SS**  trans-133.6133.7-176.1-49.60000113.8
744F33.7Very low34.3Very low201 Ų201139.9 Ų139.988%0.88279%0.785SS**  trans-159.2147.4162.4-87.3-73.8000103.3
745I33.3Very low34.3Very low146 Ų146140.5 Ų140.575%0.74979%0.785SS**  cis-154.8154.423.5-117.8155.3000107
746D27.1Very low34.3Very low153 Ų153145.7 Ų145.782%0.81879%0.794SS**  178.5167.9120.6-131.4-32000115
747Q29.2Very low34.2Very low172 Ų172146.9 Ų146.980%0.80479%0.789SS**  trans-113.4-170.1171.9-96.6-169.93.200109.7
748P47.5Very low33.6Very low96 Ų96147.1 Ų147.162%0.62379%0.791SS**  cis-127.4-175.7-2.742.9-28000114.2
749H28Very low33.3Very low182 Ų182148.5 Ų148.584%0.84379%0.787SS**  176.3157.5129.7-96.9-68.1000112
750V33.5Very low32.6Very low129 Ų129150 Ų15078%0.78279%0.793SS**  trans-145.1130.1-176168.90000108.2
751P45.2Very low32.7Very low126 Ų126152.5 Ų152.582%0.81879%0.794SS**  -144.5159.5103.936.2-19000117
752T30.8Very low32.3Very low129 Ų129146.4 Ų146.479%0.79179%0.787SS**  trans-79.5-177169.619.50000112.7
753P51.4Low31.8Very low107 Ų107148.6 Ų148.670%0.69579%0.787SS**  cis-130.2174.4-11.735.7-18.6000114.6
754L28Very low32.1Very low166 Ų166149.9 Ų149.987%0.86978%0.784SS**  -179.6160120.3-98.9166.4000114.7
755T29.2Very low32Very low114 Ų114147.3 Ų147.370%0.69978%0.78SS**  trans-71.8150.4-174.8-21.30000114.6
756Q29.2Very low31.9Very low195 Ų195144.6 Ų144.691%0.91178%0.779SS**  -172.8-172.8120-102.8175.421.300114.3
757H27.5Very low32.2Very low167 Ų167147.5 Ų147.577%0.77378%0.779SS**  trans-123.8166.5-150.6-128.1-116.7000113.2
758L26.9Very low32.3Very low143 Ų143150.8 Ų150.875%0.74978%0.783SS**  trans76.2123.9155.1-69161.8000121.9
759H29.4Very low32.1Very low156 Ų156153 Ų15372%0.72279%0.785SS**  16136126.7-86.497.7000120.5
760M25.1Very low32.5Very low179 Ų179151.2 Ų151.288%0.88278%0.782SS**  trans-149.2151.2136.1-110.3-53.9110.600113.9
761H34.9Very low32.5Very low172 Ų172149.6 Ų149.680%0.79678%0.782SS**  trans-121.6139.6172.9-105.4-72.8000109
762S22.6Very low31.6Very low109 Ų109147.7 Ų147.776%0.76279%0.785SS**  trans-161.5140.4159-147.90000107.5
763H28.6Very low31.3Very low166 Ų166145.4 Ų145.477%0.76979%0.787SS**  cis63.9141.132.1-81-36.3000114
764L34Very low30.2Very low139 Ų139146.1 Ų146.173%0.72879%0.794SS**  cis-153.4172.57.6-126.8179.9000110.7
765D30.4Very low30.8Very low148 Ų148144.3 Ų144.379%0.79179%0.792SS**  trans138.4147.7145.5-79.1-20.6000113.9
766A31.3Very low30.8Very low89 Ų89142.7 Ų142.774%0.73679%0.791SS**  cis-172.1170.7-22.500000107.8
767R33.1Very low30.8Very low214 Ų214139.3 Ų139.381%0.80878%0.784SS**  cis173.7110.4-44.6178.6-170.7-174.6-166.23.9107.6
768R32.3Very low30.9Very low240 Ų240135.7 Ų135.791%0.90678%0.777SS**  trans-156.5132.2157.2-72.9-167.6176.2-156-2.3106.7
769Q42.6Very low30.9Very low142 Ų142140.3 Ų140.366%0.66479%0.786SS**  cis75.8133.244.9-66.5-165-13.400114.6
770L36.8Very low31.5Very low146 Ų146137.9 Ų137.976%0.76478%0.784SS**  cis-168147.4-6.2-118.1168.2000113.1
771A32.6Very low31.8Very low95 Ų95132.5 Ų132.579%0.78578%0.775SS**  trans60151.4147.200000125.5
772G26.8Very low31.8Very low86 Ų86132 Ų13289%0.88778%0.777SS**  trans99150.5171.500000114.7
773G24.4Very low32.9Very low80 Ų80131.9 Ų131.983%0.82577%0.774SS**  cis166.2138.9-5.100000110.7
774S28.4Very low33Very low122 Ų122127.9 Ų127.985%0.85377%0.77SS**  trans-62.4163.7-178-57.40000114.2
775P40.8Very low32.7Very low128 Ų128132.3 Ų132.383%0.83178%0.778SS**  cis-149.8-158.336.445.7-23000118.5
776A28.6Very low32.6Very low80 Ų80128.9 Ų128.966%0.66177%0.771SS**  trans-62-174.6-173.200000116.4
777T29.8Very low32.5Very low125 Ų125131.1 Ų131.177%0.76778%0.775SS**  cis-166.8159.437.3-280000115.1
778S30Very low32.5Very low90 Ų90128.8 Ų128.863%0.62978%0.778SS**  trans61.6127.1143.359.70000123
779Y27.3Very low32.9Very low240 Ų240122.2 Ų122.294%0.94177%0.766SS**  -122.6156.7103.5-114.4-100.6000109.6
780P41.5Very low32.3Very low105 Ų105125.6 Ų125.668%0.68277%0.773SS**  trans-129.5172.3-152.742.1-27.7000117.8
781G31Very low31.9Very low66 Ų66127.1 Ų127.168%0.6878%0.776SS**  trans113.298.416500000114.6
782L34.4Very low32Very low161 Ų161128 Ų12884%0.84378%0.775SS**  cis85.9151.630.2-56.2173.6000115.1
783P45.5Very low32.9Very low107 Ų107129.9 Ų129.970%0.69577%0.771SS**  cis-146.6-172.5-49.241.7-24.2000114.9
784A30.8Very low33.4Very low83 Ų83130.8 Ų130.869%0.68677%0.771SS**  trans73.1151.5138.300000121.8
785Y27.9Very low33.6Very low231 Ų231129 Ų12991%0.90676%0.764SS**  cis-167.1176.3-26-130.4-89.6000109.4
786A28.9Very low33.8Very low77 Ų77128.8 Ų128.864%0.63676%0.762SS**  trans105.6123.5143.200000122.6
787T29.9Very low33.7Very low136 Ų136128.5 Ų128.583%0.83477%0.767SS**  trans74114136.8490000124.3
788L31.8Very low34.4Very low164 Ų164128.1 Ų128.186%0.85977%0.767SS**  trans-41.6167144.1-65.5172.8000113.9
789P41.8Very low34.2Very low102 Ų102129.7 Ų129.766%0.66278%0.778SS**  cis-159.2172.340.345.5-23.9000122.1
790R30.2Very low34.7Very low214 Ų214126.9 Ų126.981%0.80877%0.773SS**  trans68.6156.8151.8-74.5166.2174.9-169.9-1.4118
791H27.2Very low34.9Very low177 Ų177127.2 Ų127.282%0.81978%0.776SS**  cis-153.2151.4-5.8-115.7-49.7000110
792C35.4Very low34.8Very low113 Ų113132.2 Ų132.276%0.76478%0.781SS**  trans-108.2156.6163.1-54.20000111
793P46Very low34.5Very low126 Ų126135.1 Ų135.182%0.81878%0.782SS**  -143.9164.4124.537.2-24.1000112.9
794A34.3Very low33.8Very low99 Ų99137.5 Ų137.582%0.81879%0.788SS**  cis-168.8-164.9-21.300000105.3
795A33.1Very low34.9Very low86 Ų86138.9 Ų138.971%0.71179%0.789SS**  cis-166-166-1.300000106.8
796P44.4Very low34.8Very low122 Ų122134 Ų13479%0.79279%0.789SS**  cis-133.5125.5-28.431.7-11.5000115.3
797G27.2Very low34.9Very low74 Ų74135.4 Ų135.476%0.76379%0.794SS**  trans70.6179.8143.400000121.6
798P43.6Very low34.8Very low118 Ų118137 Ų13777%0.76680%0.797SS**  cis-143.9145.7-29.738.1-20.4000117.8
799S26.6Very low34.8Very low123 Ų123134.4 Ų134.486%0.8679%0.793SS**  trans66.8146.6145.155.50000124
800H38.1Very low34.4Very low181 Ų181135.6 Ų135.684%0.83880%0.8SS**  trans-115.3168.2-174.7-112.3-56.4000112
801P44.7Very low34.3Very low112 Ų112130.8 Ų130.873%0.72780%0.799SS**  -151.5145102.236.9-18.5000118.9
802Q29.3Very low34.5Very low170 Ų170133.8 Ų133.879%0.79480%0.803SS**  trans39.2127.4140.9-59.2179.9-17.500123.8
803Y27.7Very low34.1Very low223 Ų223137 Ų13788%0.87581%0.812SS**  -179.6129.2115.1-119.3-85.9000114.8
804I31.2Very low33.2Very low157 Ų157134.9 Ų134.981%0.80581%0.805SS**  trans-162.1154.2171.1-69.6-168.1000106.5
805P53.6Low33.5Very low111 Ų111135.7 Ų135.772%0.72180%0.802SS**  cis-123.5-172.3-10.939.2-23.5000113.4
806S27Very low33.1Very low128 Ų128136.4 Ų136.490%0.89580%0.802SS**  trans-167.6169.8142.2-88.50000112.8
807S30.3Very low32.4Very low107 Ų107141.7 Ų141.775%0.74881%0.808SS**  trans-137.9-173.1-175.361.30000112.3
808L28Very low32.6Very low170 Ų170144.6 Ų144.689%0.8981%0.805SS**  trans99.9149170.9-59.3167.9000118.1
809S30.9Very low32.1Very low110 Ų110144.7 Ų144.777%0.76981%0.806SS**  trans-87.5170.4-178.4-30.40000112.7
810P34.1Very low32.2Very low127 Ų127146.2 Ų146.283%0.82580%0.799SS**  trans-125.5168.2150.137.5-27.3000113.5
811S27.5Very low31.7Very low112 Ų112147.5 Ų147.578%0.78380%0.803SS**  trans-147.5137.7169.4-84.90000110.6
812R32.3Very low31Very low241 Ų241148.8 Ų148.891%0.90980%0.804SS**  trans56.5123.6168.2-60.7178.7179.7-108.4-0.4117.8
813L26.1Very low31.5Very low179 Ų179145.8 Ų145.894%0.93780%0.799SS**  -166.1163.6121.3-102.9170.1000110.2
814A28.5Very low32.1Very low83 Ų83141.6 Ų141.669%0.68680%0.799SS**  trans-133.8179.2173.200000107.3
815P39.9Very low31.9Very low115 Ų115141.7 Ų141.775%0.74780%0.801SS**  cis-134.6-173.6343.5-27.3000114.2
816S25.1Very low30.9Very low102 Ų102146.1 Ų146.171%0.71381%0.805SS**  164.4128.7126.8-74.10000115.1
817Y28.6Very low31.4Very low233 Ų233146.3 Ų146.391%0.91480%0.803SS**  trans47.1148.8148.2-74.3-84.9000125.1
818L31.5Very low31.3Very low135 Ų135144.2 Ų144.271%0.70780%0.798SS**  trans-65.1162.4168.9-86.7160.3000112.8E820L818-E820 HydrophobicContact CD2-CG 4.48Å
819P33.4Very low31.3Very low120 Ų120141.1 Ų141.178%0.77980%0.797SS**  -132.1149.99637.7-30000114.8
820E28.1Very low31.1Very low154 Ų154144.3 Ų144.372%0.7280%0.8SS**  trans-73.8165.6160.1-70.1144.912400111L818L818-E820 HydrophobicContact CD2-CG 4.48Å
821F27.7Very low31.7Very low209 Ų209142.9 Ų142.992%0.91779%0.79SS**  trans-149.7127.3161-135.7-85.2000111.2
822D30.1Very low31.6Very low139 Ų139145.9 Ų145.974%0.74380%0.796SS**PPolyproline II helixtrans-83160-171-79.5-65.8000114.9
823P39.4Very low31.5Very low107 Ų107139.3 Ų139.370%0.69579%0.793SS**PPolyproline II helixtrans-71.8157.4159.333.6-34.9000111.8
824P40.2Very low31.6Very low134 Ų134134.7 Ų134.787%0.8779%0.789SS**PPolyproline II helixtrans-75.7167.9-172.830.7-36.4000115.5
825D28.7Very low31.5Very low160 Ų160133.9 Ų133.986%0.85679%0.789SS**PPolyproline II helixtrans-95.5171.8-145.4-135.1-36000118.4
826Y32Very low30.9Very low203 Ų203139 Ų13980%0.79680%0.795SS**PPolyproline II helixtrans-68.5162.9177.6-104.8-95.5000114.2
827P37.9Very low31Very low133 Ų133139.2 Ų139.286%0.86479%0.792SS**  -140.7170.268.537.9-20.1000114.4
828G27.5Very low31.1Very low62 Ų62135.8 Ų135.864%0.63979%0.789SS**  cis174.9171.20.800000107
829A28.4Very low30.9Very low105 Ų105133.2 Ų133.287%0.86880%0.795SS**  cis-157168.35.800000110.9
830E26.1Very low30.5Very low177 Ų177135.9 Ų135.983%0.82780%0.795SS**  trans-94.7175.1169.7-84.3-11812900111.6
831P46.2Very low30.5Very low97 Ų97137 Ų13763%0.6379%0.793SS**  cis-130.8-177-26.832.8-14.5000112.4
832I26.5Very low30.6Very low176 Ų176133.7 Ų133.790%0.90378%0.78SS**  trans-161.7150.9148.8-106.4152.7000110
833A29.5Very low30.5Very low102 Ų102133.4 Ų133.484%0.84378%0.778SS**  trans-124.4155.8-174.100000114
834G27.6Very low30.1Very low83 Ų83135.1 Ų135.186%0.85678%0.781SS**  trans101.3154.7-179.300000113.4
835G26.2Very low29.7Very low66 Ų66133 Ų13368%0.6878%0.775SS**  cis166.1145.2-7.600000112.9
836Y28Very low29.7Very low222 Ų222128.4 Ų128.487%0.87177%0.766SS**  trans72.6119.5164.7-62.9-83.5000122
837T28.2Very low29.7Very low106 Ų106126.3 Ų126.365%0.6577%0.767SS**  trans75128.9130.556.10000125
838N30.1Very low29.4Very low161 Ų161126.1 Ų126.186%0.86176%0.759SS**  trans65.2132.8135.4-59.3-12.5000121.6
839G27.1Very low29.4Very low81 Ų81128.3 Ų128.384%0.83576%0.763SS**  trans179.471.8172.200000117.3
840F24.8Very low29.5Very low177 Ų177135 Ų13578%0.77677%0.766SS**  trans-23.9143.4169.9-113.5-138.1000121.4
841R28.3Very low29.6Very low177 Ų177131.6 Ų131.667%0.66876%0.762SS**  trans61.6132.2139.1-72.8-163.5-166.1-105.67.7120.6
842E29.6Very low28.6Very low140 Ų140130.9 Ų130.965%0.65477%0.772SS**  54.6131.678.7-57.2179130.200113.1
843L28.1Very low28.6Very low132 Ų132131.1 Ų131.169%0.69177%0.77SS**  -173.5157.466.5-161.574.7000112.9
844N30.8Very low28.9Very low143 Ų143131.7 Ų131.777%0.76577%0.765SS**  trans66.1156.3154.4-81.8-5000119.6
845A31.1Very low29.3Very low91 Ų91132.9 Ų132.975%0.75276%0.758SS**  cis-163.7166.8-14.700000107.7
846G28.7Very low29.4Very low63 Ų63136.5 Ų136.565%0.64977%0.766SS**  cis140.6176.44.400000110.8
847L32.8Very low29.4Very low159 Ų159136.1 Ų136.183%0.83276%0.763SS**  trans73.8142.8177-46.5171.7000116.2
848D30.8Very low29.3Very low128 Ų128139.7 Ų139.768%0.68477%0.772SS**  cis-162.9132.2-21.6-111.70.6000107.7
849C28.9Very low29.1Very low108 Ų108142.5 Ų142.573%0.7377%0.772SS**  89.9108.967-76.80000116.1
850R29.1Very low29Very low245 Ų245144 Ų14493%0.92577%0.77SS**  trans161.1150138.8-92.9171.2180-1240.1111.7
851S29.6Very low29.3Very low106 Ų106144.4 Ų144.474%0.74178%0.779SS**  cis-177.4127.8-29.447.80000109.8
852G25Very low29.3Very low83 Ų83139.3 Ų139.386%0.85678%0.781SS**  trans177.7138.4172.400000114.9
853Q26.5Very low29.4Very low180 Ų180138.7 Ų138.784%0.84179%0.793SS**  trans-136.6172.5177-111.1-163.8-1.800108.5
854P35.8Very low29.7Very low114 Ų114137.1 Ų137.174%0.7480%0.799SS**  cis-130.6-179.224.441.1-22.8000115.5
855P35.1Very low29.8Very low109 Ų109134.2 Ų134.271%0.70880%0.803SS**  trans-101.2159-172.238-34.4000115.6
856V28.4Very low30Very low141 Ų141133 Ų13386%0.85580%0.798SS**  trans-123.2145.9163.6179.10000109
857R28Very low30.4Very low215 Ų215136.7 Ų136.781%0.81180%0.803SS**  trans-82.4133.1-172.2-63.4177177.5175.2-2.4112.4
858H26.3Very low30.6Very low180 Ų180134.7 Ų134.783%0.83381%0.809SS**  trans-116.6138.8151-90.4-102.4000109.3
859Y25.8Very low31.3Very low221 Ų221132 Ų13287%0.86781%0.812SS**  trans-82.9112.2168.1-80.9-87.5000108.8
860S26Very low32Very low112 Ų112132.5 Ų132.578%0.78381%0.806SS**  trans-104.2113.8164.2-61.10000108.7G862S860-G862 PolarHBondContact O-N 3.06Å
861L30.8Very low33.1Very low185 Ų185129.8 Ų129.897%0.96980%0.804SS**PPolyproline II helixtrans-70.2125161.4-78.7164.2000107.4
862G28.1Very low34.4Very low70 Ų70128.3 Ų128.372%0.72279%0.794SS**PPolyproline II helixtrans-86.2150.5-15700000115.5S860 A864S860-G862 PolarHBondContact O-N 3.06Å; G862-A864 PolarHBondContact O-N 3.15Å
863S32.7Very low36.7Very low128 Ų128126.5 Ų126.590%0.89577%0.768SS**PPolyproline II helixtrans-64121.7162.5-54.20000110.6G865S863-G865 PolarHBondContact O-N 3.19Å; S863-G865 VanDerWaalsContact O-N 3.12Å
864A32.8Very low39.5Very low99 Ų99126.1 Ų126.182%0.81876%0.759SS**  trans-86.347.517600000112.8G862 G866G862-A864 PolarHBondContact O-N 3.15Å; A864-G866 PolarHBondContact O-N 2.84Å; A864-G866 VanDerWaalsContact O-N 3.1Å
865G33.6Very low42Very low82 Ų82121.2 Ų121.285%0.84573%0.727SS**  trans-81.777.7179.600000113S863S863-G865 PolarHBondContact O-N 3.19Å; S863-G865 VanDerWaalsContact O-N 3.12Å
866G36Very low44.5Very low64 Ų64124.1 Ų124.166%0.6672%0.724SS**  trans144.276165.900000117.4A864A864-G866 PolarHBondContact O-N 2.84Å; A864-G866 VanDerWaalsContact O-N 3.1Å
867L36.2Very low47.3Very low142 Ų142119.3 Ų119.374%0.74370%0.695SS**  trans-137.944164.1-77.9-178.5000113G869 L870L867-G869 VanDerWaalsContact C-N 3.34Å; L867-G869 PolarHBondContact O-N 3.18Å; L867-L870 HydrophobicContact CD1-CD1 4.29Å; L867-L870 HydrophobicContact CD2-CD1 4.36Å
868A36.3Very low49.8Very low116 Ų116114.5 Ų114.596%0.95969%0.692SS**THydrogen-bonded Turntrans-73.583.1170.800000110.9
869G45.4Very low52.3Low73 Ų73111.8 Ų111.875%0.75369%0.693SS**THydrogen-bonded Turntrans167.14.6177.100000119L867L867-G869 VanDerWaalsContact C-N 3.34Å; L867-G869 PolarHBondContact O-N 3.18Å
870L45Very low55.1Low117 Ų117102.2 Ų102.261%0.61366%0.658SS**PPolyproline II helixtrans-95.5127178.5-72.4170.9000112L867L867-L870 HydrophobicContact CD1-CD1 4.29Å; L867-L870 HydrophobicContact CD2-CD1 4.36Å
871Q52.2Low57.8Low189 Ų189103 Ų10388%0.88365%0.653SS**PPolyproline II helixtrans-67.7132.9176.7-66.6178.5-900110.8S873Q871-S873 PolarHBondContact O-N 3.26Å
872S56.7Low60.3Low74 Ų74102.3 Ų102.352%0.51764%0.639SS.*PPolyproline II helixtrans-68.9120.6175.952.10000110.6Y883S872-Y883 WeakPolarHBondContact O-CD1 3.19Å
873S72.5Confident63.2Low46 Ų46105.9 Ų105.932%0.32263%0.632SS.*EExtended strand (participates in β ladder)trans-83159.1176.769.90000110.8Q871 Y883 G884 N890Q871-S873 PolarHBondContact O-N 3.26Å; S873-Y883 CarbonylContact O-C 3.53Å; S873-Y883 VanDerWaalsContact O-CA 3.32Å; S873-Y883 WeakPolarHBondContact O-CA 3.33Å; S873-G884 PolarHBondContact O-N 3.49Å; S873-N890 VanDerWaalsContact OG-CG 3.23Å; S873-N890 PolarHBondContact OG-OD1 2.92Å; S873-N890 VanDerWaalsContact OG-OD1 3.05Å
874R84.8Confident65.7Low172 Ų172100 Ų10065%0.64959%0.591SS**EExtended strand (participates in β ladder)trans-63.4145.3171.1-86.2-172.3174.3176.4-1.4110.2R876R874-R876 PolarHBondContact O-N 2.95Å
875C89.7Confident68.1Low10 Ų1099.7 Ų99.77%0.06857%0.573CS.*PPolyproline II helixtrans-54.5130.2177.8175.90000110.9T877 C880 Y882 N890 C892C875-T877 PolarHBondContact O-N 3.43Å; C875-T877 VanDerWaalsContact O-N 3.16Å; C875-C880 HydrophobicContact CB-CB 3.98Å; C875-Y882 WeakPolarHBondContact CB-O 3.46Å; C875-Y882 PolarHBondContact N-O 2.97Å; C875-N890 CarbonylContact C-O 3.56Å; C875-N890 WeakPolarHBondContact CA-O 3.45Å; C875-C892 HydrophobicContact CB-CB 4.12Å; C875-C892 PolarHBondContact SG-N 3.12Å
876R87.5Confident70.3Confident170 Ų17098.9 Ų98.964%0.64255%0.552SS**SBendtrans-61.2-22.2-176.4-179.3175.8178.7-176.3-1114.2R874 P878 N890 Y891R874-R876 PolarHBondContact O-N 2.95Å; R876-P878 WeakPolarHBondContact O-CD 3.43Å; R876-N890 WeakPolarHBondContact CB-O 3.43Å; R876-N890 PolarHBondContact N-O 2.62Å; R876-Y891 HydrophobicContact CB-CD1 3.87Å; R876-Y891 HydrophobicContact CB-CE1 3.68Å; R876-Y891 HydrophobicContact CB-CG 4.49Å; R876-Y891 HydrophobicContact CG-CE1 3.95Å
877T87.5Confident72.4Confident41 Ų41102.8 Ų102.825%0.25255%0.554SS.*SBendtrans-65.9123.7174.5-55.20000111.1C875 C880 Y891 C895C875-T877 PolarHBondContact O-N 3.43Å; C875-T877 VanDerWaalsContact O-N 3.16Å; T877-C880 HydrophobicContact CG2-CB 4.41Å; T877-C880 WeakPolarHBondContact O-CB 3.39Å; T877-C880 PolarHBondContact O-N 3.42Å; T877-C880 VanDerWaalsContact O-N 3.14Å; T877-Y891 VanDerWaalsContact OG1-CD1 3.27Å; T877-Y891 WeakPolarHBondContact OG1-CD1 3.29Å; T877-Y891 WeakPolarHBondContact OG1-CE1 3.23Å; T877-C895 VanDerWaalsContact OG1-CB 3.26Å; T877-C895 WeakPolarHBondContact OG1-CB 3.43Å
878P79.8Confident74.7Confident113 Ų11397.3 Ų97.373%0.73453%0.526SS*.THydrogen-bonded Turntrans-52.7144.5174.3-26.735.4000112.4R876 C880R876-P878 WeakPolarHBondContact O-CD 3.43Å; P878-C880 PolarHBondContact O-N 2.95Å; P878-C880 VanDerWaalsContact O-N 3.08Å
879S79.2Confident77Confident124 Ų12493.6 Ų93.687%0.86750%0.499SS*.THydrogen-bonded Turntrans59.72.7-174.267.40000117.3N881S879-N881 PolarHBondContact O-N 2.94Å
880C83.2Confident79.1Confident20 Ų2093 Ų9314%0.13548%0.478CS..  trans-80.4116.3171.8-170.70000111.1C875 T877 P878 Y882C875-C880 HydrophobicContact CB-CB 3.98Å; T877-C880 HydrophobicContact CG2-CB 4.41Å; T877-C880 WeakPolarHBondContact O-CB 3.39Å; T877-C880 PolarHBondContact O-N 3.42Å; T877-C880 VanDerWaalsContact O-N 3.14Å; P878-C880 PolarHBondContact O-N 2.95Å; P878-C880 VanDerWaalsContact O-N 3.08Å; C880-Y882 VanDerWaalsContact C-N 3.33Å
881N84.7Confident81.1Confident127 Ų12789 Ų8968%0.67946%0.456SS*.  trans-83.3-5.4-179.6-72.4-39.7000114.3S879S879-N881 PolarHBondContact O-N 2.94Å
882Y82.9Confident83Confident172 Ų17280.6 Ų80.668%0.67542%0.417SS*.SBendtrans-80.3165.7179-62.1-76.9000112C875 C880C875-Y882 WeakPolarHBondContact CB-O 3.46Å; C875-Y882 PolarHBondContact N-O 2.97Å; C880-Y882 VanDerWaalsContact C-N 3.33Å
883Y88.2Confident84.3Confident145 Ų14581.3 Ų81.357%0.56942%0.422SS*.EExtended strand (participates in β ladder)trans-90.4150.5175.6-64.8-93.4000111.2S872 S873 C892S872-Y883 WeakPolarHBondContact O-CD1 3.19Å; S873-Y883 CarbonylContact O-C 3.53Å; S873-Y883 VanDerWaalsContact O-CA 3.32Å; S873-Y883 WeakPolarHBondContact O-CA 3.33Å; Y883-C892 WeakPolarHBondContact O-CB 3.43Å
884G86.4Confident84.8Confident3 Ų387.4 Ų87.43%0.03144%0.439CS..EExtended strand (participates in β ladder)trans-112.8153176.900000112.4S873 Y891S873-G884 PolarHBondContact O-N 3.49Å; G884-Y891 WeakPolarHBondContact CA-O 3.36Å
885H81.2Confident85Confident93 Ų9379.7 Ų79.743%0.43141%0.412SS..BIsolated β-bridgetrans-101.3145.9178-149.1-126.5000111.3E887 T888 G889 N890 Y891H885-E887 VanDerWaalsContact C-N 3.28Å; H885-E887 VanDerWaalsContact CE1-CD 3.43Å; H885-E887 IonicContact CE1-OE1 3.58Å; H885-E887 PolarHBondContact CE1-OE1 3.29Å; H885-E887 IonicContact CE1-OE2 3.69Å; H885-E887 PolarHBondContact CE1-OE2 2.8Å; H885-E887 VanDerWaalsContact CE1-OE2 3.26Å; H885-E887 IonicContact ND1-OE1 3.5Å; H885-E887 IonicContact ND1-OE2 2.7Å; H885-E887 PolarHBondContact ND1-OE2 3.46Å; H885-E887 PolarHBondContact O-N 3.37Å; H885-T888 WeakPolarHBondContact CB-OG1 3.2Å; H885-T888 PolarHBondContact N-OG1 3.38Å; H885-T888 CarbonylContact O-C 3.59Å; H885-T888 PolarHBondContact O-N 2.82Å; H885-T888 VanDerWaalsContact O-N 3.09Å; H885-T888 PolarHBondContact O-OG1 3.29Å; H885-G889 PolarHBondContact O-N 2.93Å; H885-N890 VanDerWaalsContact O-CA 3.31Å; H885-N890 WeakPolarHBondContact O-CA 3.37Å; H885-N890 PolarHBondContact O-N 3.33Å; H885-Y891 PolarHBondContact N-O 3Å
886P80.7Confident85.1Confident65 Ų6583.5 Ų83.542%0.42243%0.425SS..G310 helixtrans-57.7-38.7179.4-27.236.4000113.3T888 G889P886-T888 VanDerWaalsContact C-N 3.26Å; P886-T888 PolarHBondContact O-N 3.46Å; P886-G889 PolarHBondContact O-N 3.2Å
887E79.4Confident85.2Confident147 Ų14782.4 Ų82.469%0.68742%0.421SS*.G310 helixtrans-58.6-36.3176.5-65.3156.5-176.600112.6H885 G889H885-E887 VanDerWaalsContact C-N 3.28Å; H885-E887 VanDerWaalsContact CE1-CD 3.43Å; H885-E887 IonicContact CE1-OE1 3.58Å; H885-E887 PolarHBondContact CE1-OE1 3.29Å; H885-E887 IonicContact CE1-OE2 3.69Å; H885-E887 PolarHBondContact CE1-OE2 2.8Å; H885-E887 VanDerWaalsContact CE1-OE2 3.26Å; H885-E887 IonicContact ND1-OE1 3.5Å; H885-E887 IonicContact ND1-OE2 2.7Å; H885-E887 PolarHBondContact ND1-OE2 3.46Å; H885-E887 PolarHBondContact O-N 3.37Å; E887-G889 VanDerWaalsContact C-N 3.28Å; E887-G889 PolarHBondContact O-N 3.37Å
888T84.6Confident85Confident27 Ų2784.1 Ų84.117%0.16643%0.427CS..G310 helixtrans-90.119.717547.10000112.8H885 P886 N890 Y891 Y896H885-T888 WeakPolarHBondContact CB-OG1 3.2Å; H885-T888 PolarHBondContact N-OG1 3.38Å; H885-T888 CarbonylContact O-C 3.59Å; H885-T888 PolarHBondContact O-N 2.82Å; H885-T888 VanDerWaalsContact O-N 3.09Å; H885-T888 PolarHBondContact O-OG1 3.29Å; P886-T888 VanDerWaalsContact C-N 3.26Å; P886-T888 PolarHBondContact O-N 3.46Å; T888-N890 VanDerWaalsContact C-N 3.27Å; T888-N890 PolarHBondContact O-N 3.28Å; T888-Y891 WeakPolarHBondContact O-CB 3.37Å; T888-Y891 WeakPolarHBondContact O-CD2 3.17Å; T888-Y891 PolarHBondContact O-N 3.37Å; T888-Y891 VanDerWaalsContact O-N 3.09Å; T888-Y891 PolarHBondContact OG1-O 2.82Å; T888-Y896 HydrophobicContact CG2-CD1 3.81Å; T888-Y896 HydrophobicContact CG2-CD2 4.21Å; T888-Y896 HydrophobicContact CG2-CE1 4.09Å; T888-Y896 HydrophobicContact CG2-CE2 4.47Å; T888-Y896 HydrophobicContact CG2-CG 3.88Å; T888-Y896 WeakPolarHBondContact O-CD2 3.48Å
889G85.3Confident85.2Confident37 Ų3781.7 Ų81.738%0.38141%0.405SS..THydrogen-bonded Turntrans65.327.6179.800000114.4H885 P886 E887 Y891H885-G889 PolarHBondContact O-N 2.93Å; P886-G889 PolarHBondContact O-N 3.2Å; E887-G889 VanDerWaalsContact C-N 3.28Å; E887-G889 PolarHBondContact O-N 3.37Å; G889-Y891 VanDerWaalsContact C-N 3.32Å
890N88.6Confident85.3Confident60 Ų6079 Ų7932%0.32138%0.381SS..THydrogen-bonded Turntrans62.127.2-169.5-61.9-51.1000115.1S873 C875 R876 H885 T888S873-N890 VanDerWaalsContact OG-CG 3.23Å; S873-N890 PolarHBondContact OG-OD1 2.92Å; S873-N890 VanDerWaalsContact OG-OD1 3.05Å; C875-N890 CarbonylContact C-O 3.56Å; C875-N890 WeakPolarHBondContact CA-O 3.45Å; R876-N890 WeakPolarHBondContact CB-O 3.43Å; R876-N890 PolarHBondContact N-O 2.62Å; H885-N890 VanDerWaalsContact O-CA 3.31Å; H885-N890 WeakPolarHBondContact O-CA 3.37Å; H885-N890 PolarHBondContact O-N 3.33Å; T888-N890 VanDerWaalsContact C-N 3.27Å; T888-N890 PolarHBondContact O-N 3.28Å
891Y88.6Confident85.2Confident35 Ų3586 Ų8614%0.13740%0.404CS..BIsolated β-bridgetrans-91.4154.5162.4-67.5-69.4000111.6R876 T877 G884 H885 T888 G889 C895 Y896 E899R876-Y891 HydrophobicContact CB-CD1 3.87Å; R876-Y891 HydrophobicContact CB-CE1 3.68Å; R876-Y891 HydrophobicContact CB-CG 4.49Å; R876-Y891 HydrophobicContact CG-CE1 3.95Å; T877-Y891 VanDerWaalsContact OG1-CD1 3.27Å; T877-Y891 WeakPolarHBondContact OG1-CD1 3.29Å; T877-Y891 WeakPolarHBondContact OG1-CE1 3.23Å; G884-Y891 WeakPolarHBondContact CA-O 3.36Å; H885-Y891 PolarHBondContact N-O 3Å; T888-Y891 WeakPolarHBondContact O-CB 3.37Å; T888-Y891 WeakPolarHBondContact O-CD2 3.17Å; T888-Y891 PolarHBondContact O-N 3.37Å; T888-Y891 VanDerWaalsContact O-N 3.09Å; T888-Y891 PolarHBondContact OG1-O 2.82Å; G889-Y891 VanDerWaalsContact C-N 3.32Å; Y891-C895 HydrophobicContact CD1-CB 4.29Å; Y891-Y896 HydrophobicContact CD2-CD2 4.32Å; Y891-E899 HydrophobicContact CE2-CG 4.2Å
892C90.7Very high84.8Confident11 Ų1185.3 Ų85.37%0.07440%0.395CS..  trans-78.9162168.274.50000111.2C875 Y883 Y894 C895 Y896C875-C892 HydrophobicContact CB-CB 4.12Å; C875-C892 PolarHBondContact SG-N 3.12Å; Y883-C892 WeakPolarHBondContact O-CB 3.43Å; C892-Y894 PolarHBondContact O-N 3.34Å; C892-C895 PolarHBondContact O-N 3.3Å; C892-C895 VanDerWaalsContact O-N 3.13Å; C892-C895 VanDerWaalsContact SG-SG 3.65Å; C892-Y896 WeakPolarHBondContact O-CB 3.4Å; C892-Y896 PolarHBondContact O-N 2.9Å
893S83.8Confident84.3Confident90 Ų9085.8 Ų85.863%0.62940%0.396SS*.THydrogen-bonded Turntrans-63-7.9-174.8-35.80000115.7R897S893-R897 PolarHBondContact O-NE 2.95Å; S893-R897 PolarHBondContact O-NH2 2.87Å
894Y84Confident83.2Confident173 Ų17386.4 Ų86.468%0.67840%0.404SS*.THydrogen-bonded Turntrans-90.2-61.7168-176.3-87000110.6C892 Y896 R897 E898C892-Y894 PolarHBondContact O-N 3.34Å; Y894-Y896 VanDerWaalsContact C-N 3.3Å; Y894-Y896 PolarHBondContact O-N 3.34Å; Y894-R897 WeakPolarHBondContact O-CA 3.41Å; Y894-R897 VanDerWaalsContact O-CB 3.25Å; Y894-R897 WeakPolarHBondContact O-CB 3Å; Y894-R897 PolarHBondContact O-N 3.37Å; Y894-E898 PolarHBondContact O-N 3.4Å
895C89.4Confident81.7Confident11 Ų1189.8 Ų89.87%0.07443%0.432CS..Hα-helixtrans-61.5-34.2-176.7-65.60000113.4T877 Y891 C892 R897 E898 E899T877-C895 VanDerWaalsContact OG1-CB 3.26Å; T877-C895 WeakPolarHBondContact OG1-CB 3.43Å; Y891-C895 HydrophobicContact CD1-CB 4.29Å; C892-C895 PolarHBondContact O-N 3.3Å; C892-C895 VanDerWaalsContact O-N 3.13Å; C892-C895 VanDerWaalsContact SG-SG 3.65Å; C895-R897 PolarHBondContact O-N 2.75Å; C895-E898 PolarHBondContact O-N 3.28Å; C895-E899 WeakPolarHBondContact O-CB 3.43Å; C895-E899 PolarHBondContact O-N 3.49Å
896Y91.7Very high80Confident89 Ų8993 Ų9335%0.34945%0.447SS..Hα-helixtrans-59.7-35.8173.7-175-111.4000112.2T888 Y891 C892 Y894 E899 L900T888-Y896 HydrophobicContact CG2-CD1 3.81Å; T888-Y896 HydrophobicContact CG2-CD2 4.21Å; T888-Y896 HydrophobicContact CG2-CE1 4.09Å; T888-Y896 HydrophobicContact CG2-CE2 4.47Å; T888-Y896 HydrophobicContact CG2-CG 3.88Å; T888-Y896 WeakPolarHBondContact O-CD2 3.48Å; Y891-Y896 HydrophobicContact CD2-CD2 4.32Å; C892-Y896 WeakPolarHBondContact O-CB 3.4Å; C892-Y896 PolarHBondContact O-N 2.9Å; Y894-Y896 VanDerWaalsContact C-N 3.3Å; Y894-Y896 PolarHBondContact O-N 3.34Å; Y896-E899 PolarHBondContact O-N 3.07Å; Y896-L900 HydrophobicContact CD1-CD1 3.99Å; Y896-L900 HydrophobicContact CE1-CD1 3.64Å; Y896-L900 HydrophobicContact CE1-CG 4.32Å; Y896-L900 WeakPolarHBondContact O-CG 3.49Å; Y896-L900 PolarHBondContact O-N 2.87Å
897R88.5Confident78.3Confident148 Ų14895.5 Ų95.556%0.55846%0.463SS*.Hα-helixtrans-76.1-27.7179.2-148-177.4-47.6-157.82.7112.5S893 Y894 C895 R901S893-R897 PolarHBondContact O-NE 2.95Å; S893-R897 PolarHBondContact O-NH2 2.87Å; Y894-R897 WeakPolarHBondContact O-CA 3.41Å; Y894-R897 VanDerWaalsContact O-CB 3.25Å; Y894-R897 WeakPolarHBondContact O-CB 3Å; Y894-R897 PolarHBondContact O-N 3.37Å; C895-R897 PolarHBondContact O-N 2.75Å; R897-R901 WeakPolarHBondContact O-CG 3.39Å; R897-R901 PolarHBondContact O-N 3.34Å
898E84.1Confident76.6Confident77 Ų7792.8 Ų92.836%0.3647%0.466SS..Hα-helixtrans-75.3-40172.1-162.3-166.7147.500111.4Y894 C895 R901 K902Y894-E898 PolarHBondContact O-N 3.4Å; C895-E898 PolarHBondContact O-N 3.28Å; E898-R901 PolarHBondContact O-N 3.18Å; E898-K902 PolarHBondContact O-N 3.06Å; E898-K902 VanDerWaalsContact O-N 3.1Å; E898-K902 IonicContact OE1-NZ 2.69Å; E898-K902 PolarHBondContact OE1-NZ 3.23Å
899E83.4Confident74.6Confident62 Ų6297.7 Ų97.729%0.2950%0.495SS..Hα-helixtrans-64.9-40.6175-175.869.4177.500112.2Y891 C895 Y896 K902 R903Y891-E899 HydrophobicContact CE2-CG 4.2Å; C895-E899 WeakPolarHBondContact O-CB 3.43Å; C895-E899 PolarHBondContact O-N 3.49Å; Y896-E899 PolarHBondContact O-N 3.07Å; E899-K902 PolarHBondContact O-N 3.44Å; E899-R903 PolarHBondContact O-N 2.83Å
900L81.2Confident72.6Confident66 Ų66104 Ų10435%0.34652%0.515SS..Hα-helixtrans-58.3-47.9172.5-78170.9000111.7Y896 K902 R903 E904Y896-L900 HydrophobicContact CD1-CD1 3.99Å; Y896-L900 HydrophobicContact CE1-CD1 3.64Å; Y896-L900 HydrophobicContact CE1-CG 4.32Å; Y896-L900 WeakPolarHBondContact O-CG 3.49Å; Y896-L900 PolarHBondContact O-N 2.87Å; L900-K902 VanDerWaalsContact C-N 3.27Å; L900-K902 PolarHBondContact O-N 3.39Å; L900-R903 WeakPolarHBondContact O-CB 3.44Å; L900-R903 PolarHBondContact O-N 3.17Å; L900-R903 VanDerWaalsContact O-N 3.09Å; L900-E904 WeakPolarHBondContact O-CG 3.32Å; L900-E904 PolarHBondContact O-N 2.74Å
901R81.6Confident70.3Confident167 Ų167112 Ų11263%0.6354%0.541SS*.Hα-helixtrans-61.7-31.9176.5-73.2176-177.9151.6-2.7113.5R897 E898 A905R897-R901 WeakPolarHBondContact O-CG 3.39Å; R897-R901 PolarHBondContact O-N 3.34Å; E898-R901 PolarHBondContact O-N 3.18Å; R901-A905 WeakPolarHBondContact O-CB 3.42Å; R901-A905 PolarHBondContact O-N 3.17Å
902K75.6Confident68Low113 Ų113123.7 Ų123.749%0.49159%0.592SS.*Hα-helixtrans-68.4-41.6173.4-74.9173.4-174.6157.20111.3E898 E899 L900 A905 E906E898-K902 PolarHBondContact O-N 3.06Å; E898-K902 VanDerWaalsContact O-N 3.1Å; E898-K902 IonicContact OE1-NZ 2.69Å; E898-K902 PolarHBondContact OE1-NZ 3.23Å; E899-K902 PolarHBondContact O-N 3.44Å; L900-K902 VanDerWaalsContact C-N 3.27Å; L900-K902 PolarHBondContact O-N 3.39Å; K902-A905 PolarHBondContact O-N 3.29Å; K902-A905 VanDerWaalsContact O-N 3.15Å; K902-E906 PolarHBondContact O-N 3.15Å
903R72.9Confident66.9Low183 Ų183129.4 Ų129.469%0.69162%0.618SS**Hα-helixtrans-66.4-33.7175.2-73.1177.6162.8-130.5-10.1113.5E899 L900 A905E899-R903 PolarHBondContact O-N 2.83Å; L900-R903 WeakPolarHBondContact O-CB 3.44Å; L900-R903 PolarHBondContact O-N 3.17Å; L900-R903 VanDerWaalsContact O-N 3.09Å; R903-A905 VanDerWaalsContact C-N 3.25Å; R903-A905 PolarHBondContact O-N 2.88Å
904E65.6Low66Low157 Ų157131.4 Ų131.473%0.73462%0.618SS**Hα-helixtrans-73.6-16.3173.5-69.2169163.200112.9L900L900-E904 WeakPolarHBondContact O-CG 3.32Å; L900-E904 PolarHBondContact O-N 2.74Å
905A55.4Low65Low75 Ų75129.1 Ų129.162%0.6261%0.614SS**Hα-helixtrans-96.6-11.1-178.100000114.8R901 K902 R903 P907R901-A905 WeakPolarHBondContact O-CB 3.42Å; R901-A905 PolarHBondContact O-N 3.17Å; K902-A905 PolarHBondContact O-N 3.29Å; K902-A905 VanDerWaalsContact O-N 3.15Å; R903-A905 VanDerWaalsContact C-N 3.25Å; R903-A905 PolarHBondContact O-N 2.88Å; A905-P907 WeakPolarHBondContact O-CD 3.26Å
906E44.3Very low63.6Low161 Ų161136.1 Ų136.175%0.75265%0.646SS**SBendtrans-91.2109.1171.6-73.5-162.7133.300110.9K902 A908K902-E906 PolarHBondContact O-N 3.15Å; E906-A908 PolarHBondContact O-N 3.03Å
907P46.2Very low61.8Low116 Ų116139 Ų13975%0.75367%0.665SS**  trans-68.6125.217528.2-33.6000110.2A905 V909A905-P907 WeakPolarHBondContact O-CD 3.26Å; P907-V909 PolarHBondContact O-N 3.42Å
908A42.7Very low60Low90 Ų90138.4 Ų138.474%0.74467%0.672SS**  trans-61.4105-175.100000112.4E906 H910E906-A908 PolarHBondContact O-N 3.03Å; A908-H910 PolarHBondContact O-N 3.46Å
909V43.3Very low58.3Low130 Ų130142.8 Ų142.879%0.78869%0.694SS**  trans-72.492.9172.8-179.10000109P907 R911P907-V909 PolarHBondContact O-N 3.42Å; V909-R911 PolarHBondContact O-N 2.81Å
910H42.3Very low56.4Low171 Ų171149 Ų14979%0.79273%0.725SS**  trans-54.6124.6167.1-94.6-89.7000110.2A908A908-H910 PolarHBondContact O-N 3.46Å
911R41.5Very low54.3Low228 Ų228155.9 Ų155.986%0.8676%0.757SS**  trans-101.7144.7155-78.3-175.5169.2165.3-1.6108.8V909V909-R911 PolarHBondContact O-N 2.81Å
912F40.3Very low51.8Low280 Ų280154.9 Ų154.9100%1.22877%0.768SS**  trans-72.70174.3-67.8-96.8000110.8

Retrieved 912 of 912 residues in 810.8 ms (Link to these results)

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