A0A087XF45_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XF45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 956 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
1M44.3Very low74.9Confident235 Ų23589.9 Ų89.9100%1.15850%0.502SS*.  0134.50-63.6162.8-173.700106.2L3M1-L3 PolarHBondContact O-N 2.67Å
2T47.2Very low76.2Confident146 Ų14682.4 Ų82.490%0.89646%0.46SS*.  trans-75.2118.3169.141.40000107.7
3L57.1Low77.2Confident104 Ų10479.2 Ų79.255%0.54544%0.444SS..  trans-70.6131.5172.4-68.8170.9000108.5M1 M5M1-L3 PolarHBondContact O-N 2.67Å; L3-M5 HydrophobicContact CB-CE 3.93Å; L3-M5 HydrophobicContact CB-SD 3.76Å; L3-M5 PolarHBondContact O-N 3.45Å
4D79.4Confident77.7Confident109 Ų10987.5 Ų87.558%0.58347%0.465SS*.  trans-79.1100.9170.9-178.4-15.7000107.9D6 A7 V8D4-D6 VanDerWaalsContact C-N 3.33Å; D4-D6 PolarHBondContact O-N 3.28Å; D4-D6 PolarHBondContact OD1-N 2.89Å; D4-A7 HydrophobicContact CB-CB 3.86Å; D4-A7 WeakPolarHBondContact O-CB 3.24Å; D4-A7 PolarHBondContact O-N 3.36Å; D4-A7 PolarHBondContact OD1-N 2.74Å; D4-V8 WeakPolarHBondContact O-CG2 3.26Å; D4-V8 PolarHBondContact O-N 3.15Å
5M81.7Confident77.7Confident69 Ų6987 Ų8734%0.3447%0.471SS..Hα-helixtrans-68.9-31.5-170.3-57.8-49-169.600112.5L3 V8 L9 W32L3-M5 HydrophobicContact CB-CE 3.93Å; L3-M5 HydrophobicContact CB-SD 3.76Å; L3-M5 PolarHBondContact O-N 3.45Å; M5-V8 PolarHBondContact O-N 3.19Å; M5-L9 WeakPolarHBondContact O-CB 3.46Å; M5-L9 PolarHBondContact O-N 3.11Å; M5-W32 HydrophobicContact CB-CD2 4.06Å; M5-W32 HydrophobicContact CB-CE3 3.79Å; M5-W32 HydrophobicContact CB-CH2 4.01Å; M5-W32 HydrophobicContact CB-CZ2 4.27Å; M5-W32 HydrophobicContact CB-CZ3 3.77Å; M5-W32 HydrophobicContact CE-CB 3.92Å; M5-W32 HydrophobicContact CE-CD2 4.49Å; M5-W32 HydrophobicContact CE-CG 3.87Å; M5-W32 HydrophobicContact CG-CD2 4.05Å; M5-W32 HydrophobicContact CG-CE3 4.22Å; M5-W32 HydrophobicContact CG-CG 4.38Å; M5-W32 WeakPolarHBondContact O-CZ3 3.19Å; M5-W32 HydrophobicContact SD-CB 3.58Å; M5-W32 VanDerWaalsContact SD-CB 3.58Å; M5-W32 HydrophobicContact SD-CD2 3.61Å; M5-W32 HydrophobicContact SD-CE3 3.86Å; M5-W32 HydrophobicContact SD-CG 3.47Å
6D81.2Confident78.1Confident98 Ų9883.1 Ų83.152%0.52445%0.451SS..Hα-helixtrans-76.6-28.3176.7-71.1-41.2000111.3D4 S10 R24D4-D6 VanDerWaalsContact C-N 3.33Å; D4-D6 PolarHBondContact O-N 3.28Å; D4-D6 PolarHBondContact OD1-N 2.89Å; D6-S10 VanDerWaalsContact O-CB 3.27Å; D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 2.81Å; D6-S10 PolarHBondContact O-OG 2.79Å; D6-R24 IonicContact OD1-NH2 3.53Å; D6-R24 PolarHBondContact OD1-NH2 2.72Å
7A85Confident78.3Confident43 Ų4382.2 Ų82.236%0.35547%0.466SS..Hα-helixtrans-67.4-44.5167.100000112.1D4 L9 S10 D11D4-A7 HydrophobicContact CB-CB 3.86Å; D4-A7 WeakPolarHBondContact O-CB 3.24Å; D4-A7 PolarHBondContact O-N 3.36Å; D4-A7 PolarHBondContact OD1-N 2.74Å; A7-L9 PolarHBondContact O-N 3.08Å; A7-S10 PolarHBondContact O-N 3.29Å; A7-D11 PolarHBondContact O-N 3.13Å
8V86.8Confident78.5Confident23 Ų2378 Ų7814%0.13944%0.443CS..Hα-helixtrans-62.6-41.8176.2173.40000111.4D4 M5 D11 F12 L27 W32 L34D4-V8 WeakPolarHBondContact O-CG2 3.26Å; D4-V8 PolarHBondContact O-N 3.15Å; M5-V8 PolarHBondContact O-N 3.19Å; V8-D11 PolarHBondContact O-N 3.38Å; V8-F12 WeakPolarHBondContact O-CB 3.35Å; V8-F12 PolarHBondContact O-N 3.3Å; V8-L27 HydrophobicContact CG1-CD1 4.13Å; V8-L27 HydrophobicContact CG1-CD2 3.78Å; V8-W32 HydrophobicContact CB-CE3 4.41Å; V8-W32 HydrophobicContact CG1-CE3 4.2Å; V8-L34 HydrophobicContact CG1-CB 4.36Å; V8-L34 HydrophobicContact CG1-CD1 4.06Å
9L87.6Confident78.9Confident18 Ų1880.1 Ų80.19%0.09445%0.449CS..Hα-helixtrans-61.6-45.6173.5-175.757.9000111.7M5 A7 D11 F12 V13 A23 R24 L27 W32M5-L9 WeakPolarHBondContact O-CB 3.46Å; M5-L9 PolarHBondContact O-N 3.11Å; A7-L9 PolarHBondContact O-N 3.08Å; L9-D11 PolarHBondContact O-N 3.27Å; L9-F12 PolarHBondContact O-N 2.99Å; L9-V13 HydrophobicContact CD1-CG2 4.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 2.83Å; L9-A23 HydrophobicContact CD1-CB 3.71Å; L9-R24 HydrophobicContact CD1-CB 3.94Å; L9-R24 HydrophobicContact CD2-CB 4.34Å; L9-L27 HydrophobicContact CB-CD1 4.31Å; L9-L27 HydrophobicContact CD1-CD1 3.91Å; L9-W32 HydrophobicContact CB-CZ3 4.08Å
10S87.8Confident79Confident73 Ų7379.8 Ų79.851%0.5145%0.45SS..Hα-helixtrans-62-42.7179.4-62.70000111.7D6 A7 R14D6-S10 VanDerWaalsContact O-CB 3.27Å; D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 2.81Å; D6-S10 PolarHBondContact O-OG 2.79Å; A7-S10 PolarHBondContact O-N 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.44Å; S10-R14 PolarHBondContact O-N 3.4Å
11D85.9Confident79.2Confident71 Ų7177.3 Ų77.338%0.3844%0.443SS..Hα-helixtrans-72.3-33177.5-87-10.8000113.2A7 V8 L9 R14 S15A7-D11 PolarHBondContact O-N 3.13Å; V8-D11 PolarHBondContact O-N 3.38Å; L9-D11 PolarHBondContact O-N 3.27Å; D11-R14 IonicContact OD1-CZ 3.42Å; D11-R14 VanDerWaalsContact OD1-CZ 3.25Å; D11-R14 IonicContact OD1-NE 2.69Å; D11-R14 PolarHBondContact OD1-NE 3.48Å; D11-R14 IonicContact OD1-NH2 2.64Å; D11-R14 PolarHBondContact OD1-NH2 2.78Å; D11-R14 IonicContact OD2-NH2 2.73Å; D11-S15 VanDerWaalsContact O-CB 3.29Å; D11-S15 WeakPolarHBondContact O-CB 3.47Å; D11-S15 PolarHBondContact O-N 3.25Å; D11-S15 PolarHBondContact O-OG 3.32Å
12F89.8Confident81.2Confident0 Ų069.6 Ų69.60%041%0.406CS..Hα-helixtrans-63.2-55170.9-170.4-84.9000111.3V8 L9 R14 S15 T16 A18 A23 L26 L27 L34 A37 L38 Y41V8-F12 WeakPolarHBondContact O-CB 3.35Å; V8-F12 PolarHBondContact O-N 3.3Å; L9-F12 PolarHBondContact O-N 2.99Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 3.07Å; F12-S15 PolarHBondContact O-N 3.25Å; F12-S15 PolarHBondContact O-OG 2.6Å; F12-S15 VanDerWaalsContact O-OG 3.08Å; F12-T16 HydrophobicContact CD1-CG2 4.03Å; F12-T16 HydrophobicContact CD2-CG2 4.38Å; F12-T16 HydrophobicContact CE1-CG2 3.81Å; F12-T16 HydrophobicContact CE2-CG2 4.16Å; F12-T16 HydrophobicContact CG-CG2 4.34Å; F12-T16 HydrophobicContact CZ-CG2 3.9Å; F12-T16 WeakPolarHBondContact O-CB 3.49Å; F12-T16 WeakPolarHBondContact O-CG2 3.43Å; F12-T16 PolarHBondContact O-N 3.25Å; F12-T16 PolarHBondContact O-OG1 3.46Å; F12-A18 HydrophobicContact CD1-CB 4.43Å; F12-A18 HydrophobicContact CE1-CB 4.01Å; F12-A23 HydrophobicContact CD1-CB 3.5Å; F12-A23 VanDerWaalsContact CD1-CB 3.5Å; F12-A23 HydrophobicContact CE1-CB 3.87Å; F12-L26 HydrophobicContact CZ-CB 4.41Å; F12-L26 HydrophobicContact CZ-CD1 4.24Å; F12-L27 HydrophobicContact CB-CD1 3.83Å; F12-L27 HydrophobicContact CB-CG 4.47Å; F12-L27 HydrophobicContact CD2-CD1 4.48Å; F12-L27 HydrophobicContact CD2-CD2 4.13Å; F12-L27 HydrophobicContact CD2-CG 4.23Å; F12-L27 HydrophobicContact CG-CD1 4.12Å; F12-L27 HydrophobicContact CG-CG 4.3Å; F12-L34 HydrophobicContact CB-CD1 3.83Å; F12-L34 HydrophobicContact CD2-CD1 3.89Å; F12-L34 HydrophobicContact CG-CD1 4.38Å; F12-A37 HydrophobicContact CD2-CB 4.22Å; F12-A37 HydrophobicContact CE2-CB 3.6Å; F12-A37 HydrophobicContact CZ-CB 4.31Å; F12-L38 HydrophobicContact CD2-CD2 4.08Å; F12-L38 HydrophobicContact CD2-CG 4.11Å; F12-L38 HydrophobicContact CE2-CD2 3.92Å; F12-L38 HydrophobicContact CE2-CG 3.96Å; F12-Y41 HydrophobicContact CZ-CG 4.34Å
13V89.7Confident83.2Confident41 Ų4162.6 Ų62.625%0.24836%0.363CS..Hα-helixtrans-56.8-43.9177.9169.50000110.9L9 S15 G17 P20 A23L9-V13 HydrophobicContact CD1-CG2 4.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 2.83Å; V13-S15 PolarHBondContact O-N 2.87Å; V13-G17 WeakPolarHBondContact O-CA 3.18Å; V13-G17 PolarHBondContact O-N 3.4Å; V13-P20 HydrophobicContact CG1-CG 4.49Å; V13-P20 HydrophobicContact CG2-CB 4.4Å; V13-P20 HydrophobicContact CG2-CG 4.34Å; V13-A23 HydrophobicContact CG2-CB 3.48Å; V13-A23 VanDerWaalsContact CG2-CB 3.48Å
14R84.9Confident84.7Confident195 Ų19562.7 Ų62.774%0.73636%0.356SS*.Hα-helixtrans-67.2-29.2-179.7-176.2168.273123.2-4.9114.2S10 D11 F12S10-R14 WeakPolarHBondContact O-CB 3.44Å; S10-R14 PolarHBondContact O-N 3.4Å; D11-R14 IonicContact OD1-CZ 3.42Å; D11-R14 VanDerWaalsContact OD1-CZ 3.25Å; D11-R14 IonicContact OD1-NE 2.69Å; D11-R14 PolarHBondContact OD1-NE 3.48Å; D11-R14 IonicContact OD1-NH2 2.64Å; D11-R14 PolarHBondContact OD1-NH2 2.78Å; D11-R14 IonicContact OD2-NH2 2.73Å; F12-R14 VanDerWaalsContact C-N 3.29Å; F12-R14 PolarHBondContact O-N 3.07Å
15S77.4Confident85.2Confident80 Ų8062.8 Ų62.856%0.55936%0.356SS*.Hα-helixtrans-91.7-28.5179.255.40000113.8D11 F12 V13D11-S15 VanDerWaalsContact O-CB 3.29Å; D11-S15 WeakPolarHBondContact O-CB 3.47Å; D11-S15 PolarHBondContact O-N 3.25Å; D11-S15 PolarHBondContact O-OG 3.32Å; F12-S15 PolarHBondContact O-N 3.25Å; F12-S15 PolarHBondContact O-OG 2.6Å; F12-S15 VanDerWaalsContact O-OG 3.08Å; V13-S15 PolarHBondContact O-N 2.87Å
16T84.3Confident85.5Confident24 Ų2460.5 Ų60.515%0.14735%0.345CS..Hα-helixtrans-99.4-25.4-175.256.70000114.9F12 A18 L38 Y41F12-T16 HydrophobicContact CD1-CG2 4.03Å; F12-T16 HydrophobicContact CD2-CG2 4.38Å; F12-T16 HydrophobicContact CE1-CG2 3.81Å; F12-T16 HydrophobicContact CE2-CG2 4.16Å; F12-T16 HydrophobicContact CG-CG2 4.34Å; F12-T16 HydrophobicContact CZ-CG2 3.9Å; F12-T16 WeakPolarHBondContact O-CB 3.49Å; F12-T16 WeakPolarHBondContact O-CG2 3.43Å; F12-T16 PolarHBondContact O-N 3.25Å; F12-T16 PolarHBondContact O-OG1 3.46Å; T16-A18 PolarHBondContact O-N 3.04Å; T16-A18 WeakPolarHBondContact OG1-CB 3.41Å; T16-A18 PolarHBondContact OG1-N 3.12Å; T16-L38 HydrophobicContact CG2-CD2 3.34Å; T16-Y41 VanDerWaalsContact CB-CE1 3.43Å; T16-Y41 HydrophobicContact CG2-CD1 3.65Å; T16-Y41 HydrophobicContact CG2-CE1 3.83Å; T16-Y41 HydrophobicContact CG2-CG 4.21Å; T16-Y41 PolarHBondContact O-OH 2.86Å
17G80.9Confident85.9Confident68 Ų6855.8 Ų55.870%0.70132%0.32SS*.  trans6812.3-16400000114V13V13-G17 WeakPolarHBondContact O-CA 3.18Å; V13-G17 PolarHBondContact O-N 3.4Å
18A81.4Confident86Confident7 Ų759.5 Ų59.56%0.05833%0.33CS..  trans-66.4149.3-179.800000112F12 T16 A23 Y41F12-A18 HydrophobicContact CD1-CB 4.43Å; F12-A18 HydrophobicContact CE1-CB 4.01Å; T16-A18 PolarHBondContact O-N 3.04Å; T16-A18 WeakPolarHBondContact OG1-CB 3.41Å; T16-A18 PolarHBondContact OG1-N 3.12Å; A18-A23 HydrophobicContact CB-CB 4.24Å; A18-Y41 HydrophobicContact CB-CD2 4.26Å; A18-Y41 HydrophobicContact CB-CE2 3.63Å
19E87.2Confident85.9Confident118 Ų11861.1 Ų61.155%0.55135%0.352SS*.  trans-62.9135.3170.9-172.1-74.5126.800109.8G21 L22 A23E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 3.07Å; E19-G21 PolarHBondContact OE1-N 3.25Å; E19-G21 WeakPolarHBondContact OE2-CA 3.39Å; E19-G21 PolarHBondContact OE2-N 3.32Å; E19-L22 PolarHBondContact O-N 3.28Å; E19-L22 VanDerWaalsContact O-N 3.15Å; E19-L22 PolarHBondContact OE2-N 3.31Å; E19-A23 WeakPolarHBondContact O-CB 3.41Å; E19-A23 PolarHBondContact O-N 3.48Å
20P81.2Confident86Confident73 Ų7363.5 Ų63.547%0.47436%0.362SS..Hα-helixtrans-56.2-31.6-173.6-30.536.8000116.8V13 R24V13-P20 HydrophobicContact CG1-CG 4.49Å; V13-P20 HydrophobicContact CG2-CB 4.4Å; V13-P20 HydrophobicContact CG2-CG 4.34Å; P20-R24 WeakPolarHBondContact O-CB 3.45Å; P20-R24 PolarHBondContact O-N 2.92Å
21G82.8Confident86Confident29 Ų2967.1 Ų67.130%0.29938%0.375SS..Hα-helixtrans-63.5-58.5170.500000111.7E19 A23 R24 D25E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 3.07Å; E19-G21 PolarHBondContact OE1-N 3.25Å; E19-G21 WeakPolarHBondContact OE2-CA 3.39Å; E19-G21 PolarHBondContact OE2-N 3.32Å; G21-A23 PolarHBondContact O-N 3.47Å; G21-R24 PolarHBondContact O-N 3.21Å; G21-D25 PolarHBondContact O-N 2.9Å
22L86.8Confident85.9Confident72 Ų7265.6 Ų65.638%0.37736%0.364SS..Hα-helixtrans-56.3-38.2176.317962.3000112.5E19 D25 L26E19-L22 PolarHBondContact O-N 3.28Å; E19-L22 VanDerWaalsContact O-N 3.15Å; E19-L22 PolarHBondContact OE2-N 3.31Å; L22-D25 PolarHBondContact O-N 3.23Å; L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.13Å; L22-L26 HydrophobicContact CG-CD1 4.04Å; L22-L26 HydrophobicContact CG-CG 4.5Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.02Å
23A87.6Confident85.7Confident0 Ų069.5 Ų69.50%039%0.385CS..Hα-helixtrans-62.5-42.9175.100000112.5L9 F12 V13 A18 E19 G21 L27L9-A23 HydrophobicContact CD1-CB 3.71Å; F12-A23 HydrophobicContact CD1-CB 3.5Å; F12-A23 VanDerWaalsContact CD1-CB 3.5Å; F12-A23 HydrophobicContact CE1-CB 3.87Å; V13-A23 HydrophobicContact CG2-CB 3.48Å; V13-A23 VanDerWaalsContact CG2-CB 3.48Å; A18-A23 HydrophobicContact CB-CB 4.24Å; E19-A23 WeakPolarHBondContact O-CB 3.41Å; E19-A23 PolarHBondContact O-N 3.48Å; G21-A23 PolarHBondContact O-N 3.47Å; A23-L27 WeakPolarHBondContact O-CB 3.13Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.32Å
24R89.4Confident85.4Confident106 Ų10670.3 Ų70.340%0.439%0.388SS..Hα-helixtrans-68.6-42.5176.4-179.3169.6-82.4163.6-6.7111.3D6 L9 P20 G21 L26 L27 E28 W32D6-R24 IonicContact OD1-NH2 3.53Å; D6-R24 PolarHBondContact OD1-NH2 2.72Å; L9-R24 HydrophobicContact CD1-CB 3.94Å; L9-R24 HydrophobicContact CD2-CB 4.34Å; P20-R24 WeakPolarHBondContact O-CB 3.45Å; P20-R24 PolarHBondContact O-N 2.92Å; G21-R24 PolarHBondContact O-N 3.21Å; R24-L26 PolarHBondContact O-N 3.13Å; R24-L27 PolarHBondContact O-N 3.06Å; R24-E28 VanDerWaalsContact O-CB 3.26Å; R24-E28 WeakPolarHBondContact O-CB 3.44Å; R24-E28 PolarHBondContact O-N 3.49Å; R24-W32 HydrophobicContact CG-CH2 4.16Å; R24-W32 HydrophobicContact CG-CZ2 4.36Å
25D89.3Confident85.4Confident110 Ų11065.3 Ų65.359%0.58838%0.382SS*.Hα-helixtrans-60.5-43.4177.3-71-10.8000111.9G21 L22 G29G21-D25 PolarHBondContact O-N 2.9Å; L22-D25 PolarHBondContact O-N 3.23Å; D25-G29 PolarHBondContact O-N 3.08Å
26L88.6Confident85.8Confident21 Ų2163 Ų6311%0.1137%0.368CS..Hα-helixtrans-69.6-37.9177.7-71.8173.3000112.8F12 L22 R24 K30 A37 D40 Y41 L44F12-L26 HydrophobicContact CZ-CB 4.41Å; F12-L26 HydrophobicContact CZ-CD1 4.24Å; L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.13Å; L22-L26 HydrophobicContact CG-CD1 4.04Å; L22-L26 HydrophobicContact CG-CG 4.5Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.02Å; R24-L26 PolarHBondContact O-N 3.13Å; L26-K30 VanDerWaalsContact O-CG 3.25Å; L26-K30 WeakPolarHBondContact O-CG 3.5Å; L26-K30 PolarHBondContact O-N 3.04Å; L26-A37 HydrophobicContact CB-CB 4.44Å; L26-D40 HydrophobicContact CD2-CB 4.3Å; L26-Y41 HydrophobicContact CD1-CD2 4.02Å; L26-L44 HydrophobicContact CD1-CD1 4.07Å; L26-L44 HydrophobicContact CD2-CD1 3.8Å
27L89.3Confident86.1Confident0 Ų061.8 Ų61.80%036%0.361CS..Hα-helixtrans-68.4-48.2174.4-77.3167.8000111.7V8 L9 F12 A23 R24 G29 K30 N31 W32 L34 A37V8-L27 HydrophobicContact CG1-CD1 4.13Å; V8-L27 HydrophobicContact CG1-CD2 3.78Å; L9-L27 HydrophobicContact CB-CD1 4.31Å; L9-L27 HydrophobicContact CD1-CD1 3.91Å; F12-L27 HydrophobicContact CB-CD1 3.83Å; F12-L27 HydrophobicContact CB-CG 4.47Å; F12-L27 HydrophobicContact CD2-CD1 4.48Å; F12-L27 HydrophobicContact CD2-CD2 4.13Å; F12-L27 HydrophobicContact CD2-CG 4.23Å; F12-L27 HydrophobicContact CG-CD1 4.12Å; F12-L27 HydrophobicContact CG-CG 4.3Å; A23-L27 WeakPolarHBondContact O-CB 3.13Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.32Å; R24-L27 PolarHBondContact O-N 3.06Å; L27-G29 PolarHBondContact O-N 3.21Å; L27-K30 CarbonylContact O-C 3.6Å; L27-K30 WeakPolarHBondContact O-CA 3.37Å; L27-K30 PolarHBondContact O-N 3.31Å; L27-N31 PolarHBondContact O-N 2.69Å; L27-W32 HydrophobicContact CB-CD2 4.16Å; L27-W32 HydrophobicContact CB-CE3 3.84Å; L27-W32 HydrophobicContact CB-CZ3 4.08Å; L27-W32 HydrophobicContact CD1-CE3 4.02Å; L27-W32 HydrophobicContact CD1-CZ3 3.86Å; L27-W32 HydrophobicContact CG-CE3 4.39Å; L27-W32 WeakPolarHBondContact O-CA 3.29Å; L27-W32 PolarHBondContact O-N 2.82Å; L27-L34 HydrophobicContact CD2-CD1 4.37Å; L27-A37 HydrophobicContact CD2-CB 3.78Å; L27-A37 HydrophobicContact CG-CB 4.22Å
28E88.5Confident86.4Confident120 Ų12061 Ų6156%0.56134%0.34SS*.Hα-helixtrans-63.7-41.9-179.9-171.9161.2-164.800111.2R24 K30 N31R24-E28 VanDerWaalsContact O-CB 3.26Å; R24-E28 WeakPolarHBondContact O-CB 3.44Å; R24-E28 PolarHBondContact O-N 3.49Å; E28-K30 PolarHBondContact O-N 2.67Å; E28-N31 PolarHBondContact O-N 2.68Å
29G84.1Confident86.6Confident58 Ų5865.3 Ų65.360%0.59836%0.362SS*.THydrogen-bonded Turntrans-62-11171.400000115.3D25 L27D25-G29 PolarHBondContact O-N 3.08Å; L27-G29 PolarHBondContact O-N 3.21Å
30K89.9Confident86.5Confident68 Ų6861.9 Ų61.930%0.29635%0.348SS..THydrogen-bonded Turntrans-119.419.6175.6-58.7-69.6159.3149.90113L26 L27 E28 W32 D33 A36 A37 D40L26-K30 VanDerWaalsContact O-CG 3.25Å; L26-K30 WeakPolarHBondContact O-CG 3.5Å; L26-K30 PolarHBondContact O-N 3.04Å; L27-K30 CarbonylContact O-C 3.6Å; L27-K30 WeakPolarHBondContact O-CA 3.37Å; L27-K30 PolarHBondContact O-N 3.31Å; E28-K30 PolarHBondContact O-N 2.67Å; K30-W32 PolarHBondContact O-N 2.73Å; K30-D33 WeakPolarHBondContact O-CB 3.35Å; K30-D33 PolarHBondContact O-N 3.2Å; K30-D33 VanDerWaalsContact O-N 3.13Å; K30-A36 HydrophobicContact CB-CB 4.14Å; K30-A36 HydrophobicContact CD-CB 4.06Å; K30-A36 HydrophobicContact CG-CB 4.2Å; K30-A37 HydrophobicContact CB-CB 4.39Å; K30-A37 HydrophobicContact CG-CB 4.27Å; K30-D40 VanDerWaalsContact CE-CG 3.42Å; K30-D40 WeakPolarHBondContact CE-OD1 3.49Å; K30-D40 WeakPolarHBondContact CE-OD2 3.19Å; K30-D40 IonicContact NZ-OD1 2.65Å; K30-D40 PolarHBondContact NZ-OD1 3.29Å; K30-D40 IonicContact NZ-OD2 2.65Å; K30-D40 PolarHBondContact NZ-OD2 3.4Å
31N86.6Confident86.8Confident148 Ų14860.2 Ų60.279%0.79133%0.332SS*.THydrogen-bonded Turntrans5335.1-177.4-57.8-72.8000113.4L27 E28 D33L27-N31 PolarHBondContact O-N 2.69Å; E28-N31 PolarHBondContact O-N 2.68Å; N31-D33 VanDerWaalsContact C-N 3.29Å; N31-D33 PolarHBondContact O-N 2.77Å
32W85.1Confident86.7Confident40 Ų4062.3 Ų62.315%0.15233%0.334CS..THydrogen-bonded Turntrans65.921.2-178.7-58.781.3000115.4M5 V8 L9 R24 L27 K30 L34M5-W32 HydrophobicContact CB-CD2 4.06Å; M5-W32 HydrophobicContact CB-CE3 3.79Å; M5-W32 HydrophobicContact CB-CH2 4.01Å; M5-W32 HydrophobicContact CB-CZ2 4.27Å; M5-W32 HydrophobicContact CB-CZ3 3.77Å; M5-W32 HydrophobicContact CE-CB 3.92Å; M5-W32 HydrophobicContact CE-CD2 4.49Å; M5-W32 HydrophobicContact CE-CG 3.87Å; M5-W32 HydrophobicContact CG-CD2 4.05Å; M5-W32 HydrophobicContact CG-CE3 4.22Å; M5-W32 HydrophobicContact CG-CG 4.38Å; M5-W32 WeakPolarHBondContact O-CZ3 3.19Å; M5-W32 HydrophobicContact SD-CB 3.58Å; M5-W32 VanDerWaalsContact SD-CB 3.58Å; M5-W32 HydrophobicContact SD-CD2 3.61Å; M5-W32 HydrophobicContact SD-CE3 3.86Å; M5-W32 HydrophobicContact SD-CG 3.47Å; V8-W32 HydrophobicContact CB-CE3 4.41Å; V8-W32 HydrophobicContact CG1-CE3 4.2Å; L9-W32 HydrophobicContact CB-CZ3 4.08Å; R24-W32 HydrophobicContact CG-CH2 4.16Å; R24-W32 HydrophobicContact CG-CZ2 4.36Å; L27-W32 HydrophobicContact CB-CD2 4.16Å; L27-W32 HydrophobicContact CB-CE3 3.84Å; L27-W32 HydrophobicContact CB-CZ3 4.08Å; L27-W32 HydrophobicContact CD1-CE3 4.02Å; L27-W32 HydrophobicContact CD1-CZ3 3.86Å; L27-W32 HydrophobicContact CG-CE3 4.39Å; L27-W32 WeakPolarHBondContact O-CA 3.29Å; L27-W32 PolarHBondContact O-N 2.82Å; K30-W32 PolarHBondContact O-N 2.73Å; W32-L34 PolarHBondContact O-N 2.97Å
33D85.2Confident86.3Confident82 Ų8264.4 Ų64.444%0.43934%0.342SS..  trans-72.7101.9164.1-173.3-27.1000110.4K30 N31 S35 A36 A37K30-D33 WeakPolarHBondContact O-CB 3.35Å; K30-D33 PolarHBondContact O-N 3.2Å; K30-D33 VanDerWaalsContact O-N 3.13Å; N31-D33 VanDerWaalsContact C-N 3.29Å; N31-D33 PolarHBondContact O-N 2.77Å; D33-S35 PolarHBondContact O-N 3.31Å; D33-S35 WeakPolarHBondContact OD1-CA 3.12Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 2.82Å; D33-A36 HydrophobicContact CB-CB 3.94Å; D33-A36 PolarHBondContact O-N 2.95Å; D33-A36 PolarHBondContact OD1-N 3.39Å; D33-A37 WeakPolarHBondContact O-CB 3.44Å; D33-A37 PolarHBondContact O-N 3.26Å
34L84Confident85.6Confident58 Ų5867.8 Ų67.830%0.30436%0.36SS..Hα-helixtrans-53.8-38.2176.6-173.176.4000112.6V8 F12 L27 W32 L38V8-L34 HydrophobicContact CG1-CB 4.36Å; V8-L34 HydrophobicContact CG1-CD1 4.06Å; F12-L34 HydrophobicContact CB-CD1 3.83Å; F12-L34 HydrophobicContact CD2-CD1 3.89Å; F12-L34 HydrophobicContact CG-CD1 4.38Å; L27-L34 HydrophobicContact CD2-CD1 4.37Å; W32-L34 PolarHBondContact O-N 2.97Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 VanDerWaalsContact O-CB 3.32Å; L34-L38 WeakPolarHBondContact O-CB 3.25Å; L34-L38 WeakPolarHBondContact O-CD1 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.38Å
35S84.5Confident84.8Confident89 Ų8968.3 Ų68.362%0.62236%0.362SS*.Hα-helixtrans-75.3-39.3-176-54.50000111.5D33 N39D33-S35 PolarHBondContact O-N 3.31Å; D33-S35 WeakPolarHBondContact OD1-CA 3.12Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 2.82Å; S35-N39 PolarHBondContact O-N 3.01Å
36A86.1Confident83.4Confident31 Ų3168.8 Ų68.826%0.25636%0.361SS..Hα-helixtrans-68.4-43.3175.600000111.5K30 D33 L38 N39 D40K30-A36 HydrophobicContact CB-CB 4.14Å; K30-A36 HydrophobicContact CD-CB 4.06Å; K30-A36 HydrophobicContact CG-CB 4.2Å; D33-A36 HydrophobicContact CB-CB 3.94Å; D33-A36 PolarHBondContact O-N 2.95Å; D33-A36 PolarHBondContact OD1-N 3.39Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 3.4Å; A36-N39 PolarHBondContact O-N 2.96Å; A36-D40 PolarHBondContact O-N 2.8Å
37A89.6Confident81.8Confident0 Ų072.4 Ų72.40%038%0.383CS..Hα-helixtrans-64-36.4176.300000112.6F12 L26 L27 K30 D33 N39 Y41F12-A37 HydrophobicContact CD2-CB 4.22Å; F12-A37 HydrophobicContact CE2-CB 3.6Å; F12-A37 HydrophobicContact CZ-CB 4.31Å; L26-A37 HydrophobicContact CB-CB 4.44Å; L27-A37 HydrophobicContact CD2-CB 3.78Å; L27-A37 HydrophobicContact CG-CB 4.22Å; K30-A37 HydrophobicContact CB-CB 4.39Å; K30-A37 HydrophobicContact CG-CB 4.27Å; D33-A37 WeakPolarHBondContact O-CB 3.44Å; D33-A37 PolarHBondContact O-N 3.26Å; A37-N39 VanDerWaalsContact C-N 3.33Å; A37-Y41 PolarHBondContact O-N 3.39Å
38L86.4Confident79.9Confident51 Ų5179.2 Ų79.227%0.26742%0.415SS..Hα-helixtrans-64.3-40.1176.8-81.3169.7000111.2F12 T16 L34 A36 Y41 E42F12-L38 HydrophobicContact CD2-CD2 4.08Å; F12-L38 HydrophobicContact CD2-CG 4.11Å; F12-L38 HydrophobicContact CE2-CD2 3.92Å; F12-L38 HydrophobicContact CE2-CG 3.96Å; T16-L38 HydrophobicContact CG2-CD2 3.34Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 VanDerWaalsContact O-CB 3.32Å; L34-L38 WeakPolarHBondContact O-CB 3.25Å; L34-L38 WeakPolarHBondContact O-CD1 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.38Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 3.4Å; L38-Y41 PolarHBondContact O-N 2.93Å; L38-E42 WeakPolarHBondContact O-CB 3.38Å; L38-E42 PolarHBondContact O-N 2.96Å
39N86Confident77.7Confident98 Ų9877.7 Ų77.752%0.52441%0.414SS..Hα-helixtrans-66.8-43.2179.6-159.855.7000111.9S35 A36 A37 Y41 E42 E43S35-N39 PolarHBondContact O-N 3.01Å; A36-N39 PolarHBondContact O-N 2.96Å; A37-N39 VanDerWaalsContact C-N 3.33Å; N39-Y41 VanDerWaalsContact C-N 3.32Å; N39-Y41 PolarHBondContact O-N 2.92Å; N39-E42 WeakPolarHBondContact O-CB 3.22Å; N39-E42 PolarHBondContact O-N 3.48Å; N39-E43 PolarHBondContact O-N 3.41Å
40D85Confident75.5Confident46 Ų4678.8 Ų78.825%0.24642%0.417CS..Hα-helixtrans-61.7-36.9172.5-80.859.9000112.6L26 K30 A36 E43 L44L26-D40 HydrophobicContact CD2-CB 4.3Å; K30-D40 VanDerWaalsContact CE-CG 3.42Å; K30-D40 WeakPolarHBondContact CE-OD1 3.49Å; K30-D40 WeakPolarHBondContact CE-OD2 3.19Å; K30-D40 IonicContact NZ-OD1 2.65Å; K30-D40 PolarHBondContact NZ-OD1 3.29Å; K30-D40 IonicContact NZ-OD2 2.65Å; K30-D40 PolarHBondContact NZ-OD2 3.4Å; A36-D40 PolarHBondContact O-N 2.8Å; D40-E43 PolarHBondContact O-N 3.37Å; D40-L44 WeakPolarHBondContact O-CB 3.22Å; D40-L44 WeakPolarHBondContact O-CG 3.45Å; D40-L44 PolarHBondContact O-N 2.91Å
41Y87.3Confident73Confident37 Ų3782.5 Ų82.515%0.14544%0.44CS..Hα-helixtrans-67.5-38.9173.4-177.5-101.9000112.4F12 T16 A18 L26 A37 L38 N39 E43 L44 R45F12-Y41 HydrophobicContact CZ-CG 4.34Å; T16-Y41 VanDerWaalsContact CB-CE1 3.43Å; T16-Y41 HydrophobicContact CG2-CD1 3.65Å; T16-Y41 HydrophobicContact CG2-CE1 3.83Å; T16-Y41 HydrophobicContact CG2-CG 4.21Å; T16-Y41 PolarHBondContact O-OH 2.86Å; A18-Y41 HydrophobicContact CB-CD2 4.26Å; A18-Y41 HydrophobicContact CB-CE2 3.63Å; L26-Y41 HydrophobicContact CD1-CD2 4.02Å; A37-Y41 PolarHBondContact O-N 3.39Å; L38-Y41 PolarHBondContact O-N 2.93Å; N39-Y41 VanDerWaalsContact C-N 3.32Å; N39-Y41 PolarHBondContact O-N 2.92Å; Y41-E43 VanDerWaalsContact C-N 3.32Å; Y41-E43 PolarHBondContact O-N 3.28Å; Y41-L44 PolarHBondContact O-N 2.87Å; Y41-R45 WeakPolarHBondContact O-CB 3.46Å; Y41-R45 PolarHBondContact O-N 3.25Å
42E82.3Confident70.5Confident74 Ų7482.1 Ų82.135%0.34644%0.437SS..Hα-helixtrans-62.7-38.7174.7-150.982.8-134.800111.2L38 N39 R45 Q46L38-E42 WeakPolarHBondContact O-CB 3.38Å; L38-E42 PolarHBondContact O-N 2.96Å; N39-E42 WeakPolarHBondContact O-CB 3.22Å; N39-E42 PolarHBondContact O-N 3.48Å; E42-R45 IonicContact OE1-CZ 2.68Å; E42-R45 IonicContact OE1-NH1 2.68Å; E42-R45 PolarHBondContact OE1-NH1 3Å; E42-R45 IonicContact OE1-NH2 3.19Å; E42-R45 PolarHBondContact OE1-NH2 3.15Å; E42-R45 IonicContact OE2-NH1 3Å; E42-Q46 VanDerWaalsContact O-CG 3.28Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.34Å; E42-Q46 VanDerWaalsContact O-N 3.08Å; E42-Q46 PolarHBondContact O-NE2 3.06Å
43E77.3Confident67.8Low115 Ų11586.3 Ų86.354%0.53747%0.47SS..Hα-helixtrans-67.3-48.4172.1-72.4-170.4175.600112.1N39 D40 Y41 R45 Q46 V47N39-E43 PolarHBondContact O-N 3.41Å; D40-E43 PolarHBondContact O-N 3.37Å; Y41-E43 VanDerWaalsContact C-N 3.32Å; Y41-E43 PolarHBondContact O-N 3.28Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.09Å; E43-Q46 WeakPolarHBondContact O-CB 3.37Å; E43-Q46 PolarHBondContact O-N 3.01Å; E43-Q46 VanDerWaalsContact O-N 3.08Å; E43-V47 WeakPolarHBondContact O-CG2 3.16Å; E43-V47 PolarHBondContact O-N 3.38Å
44L73.7Confident65.2Low71 Ų7191.2 Ų91.237%0.37249%0.49SS..Hα-helixtrans-57.7-38.3176.3-80.2165.2000112.3L26 D40 Y41 H48L26-L44 HydrophobicContact CD1-CD1 4.07Å; L26-L44 HydrophobicContact CD2-CD1 3.8Å; D40-L44 WeakPolarHBondContact O-CB 3.22Å; D40-L44 WeakPolarHBondContact O-CG 3.45Å; D40-L44 PolarHBondContact O-N 2.91Å; Y41-L44 PolarHBondContact O-N 2.87Å; L44-H48 PolarHBondContact O-N 3.1Å; L44-H48 PolarHBondContact O-ND1 2.98Å
45R72.9Confident62.6Low117 Ų11794.3 Ų94.344%0.44251%0.511SS..Hα-helixtrans-69.4-38.7175.5-156.7-178.478.1-125.3-7111.8Y41 E42 E43 H48 T49Y41-R45 WeakPolarHBondContact O-CB 3.46Å; Y41-R45 PolarHBondContact O-N 3.25Å; E42-R45 IonicContact OE1-CZ 2.68Å; E42-R45 IonicContact OE1-NH1 2.68Å; E42-R45 PolarHBondContact OE1-NH1 3Å; E42-R45 IonicContact OE1-NH2 3.19Å; E42-R45 PolarHBondContact OE1-NH2 3.15Å; E42-R45 IonicContact OE2-NH1 3Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.09Å; R45-H48 PolarHBondContact O-N 3.47Å; R45-T49 WeakPolarHBondContact O-CB 3.38Å; R45-T49 PolarHBondContact O-N 2.91Å; R45-T49 PolarHBondContact O-OG1 2.81Å
46Q59.9Low59.8Low121 Ų12198.7 Ų98.757%0.56552%0.519SS*.Hα-helixtrans-63.4-43.5174.4-77.3169.681.900112E42 E43 H48 T49 A50E42-Q46 VanDerWaalsContact O-CG 3.28Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.34Å; E42-Q46 VanDerWaalsContact O-N 3.08Å; E42-Q46 PolarHBondContact O-NE2 3.06Å; E43-Q46 WeakPolarHBondContact O-CB 3.37Å; E43-Q46 PolarHBondContact O-N 3.01Å; E43-Q46 VanDerWaalsContact O-N 3.08Å; Q46-H48 VanDerWaalsContact C-N 3.33Å; Q46-H48 PolarHBondContact O-N 3.44Å; Q46-T49 PolarHBondContact O-N 3Å; Q46-T49 VanDerWaalsContact O-N 3.1Å; Q46-A50 PolarHBondContact O-N 3.43Å
47V55.1Low56.9Low97 Ų97103 Ų10359%0.58854%0.538SS*.Hα-helixtrans-59.5-41.6176.9172.50000111.9E43E43-V47 WeakPolarHBondContact O-CG2 3.16Å; E43-V47 PolarHBondContact O-N 3.38Å
48H47.5Very low54Low142 Ų142110.9 Ų110.966%0.65758%0.575SS**Hα-helixtrans-72.9-26.1176.2-74.188.6000113.7L44 R45 Q46 A50L44-H48 PolarHBondContact O-N 3.1Å; L44-H48 PolarHBondContact O-ND1 2.98Å; R45-H48 PolarHBondContact O-N 3.47Å; Q46-H48 VanDerWaalsContact C-N 3.33Å; Q46-H48 PolarHBondContact O-N 3.44Å; H48-A50 VanDerWaalsContact C-N 3.32Å
49T43.5Very low51.1Low89 Ų89111.8 Ų111.855%0.54660%0.597SS.*Hα-helixtrans-75.6-21.7179.3-55.60000112.4R45 Q46 N51R45-T49 WeakPolarHBondContact O-CB 3.38Å; R45-T49 PolarHBondContact O-N 2.91Å; R45-T49 PolarHBondContact O-OG1 2.81Å; Q46-T49 PolarHBondContact O-N 3Å; Q46-T49 VanDerWaalsContact O-N 3.1Å; T49-N51 PolarHBondContact O-N 2.9Å; T49-N51 VanDerWaalsContact O-N 3.16Å
50A37.9Very low48.4Very low80 Ų80118.1 Ų118.166%0.66161%0.613SS**THydrogen-bonded Turntrans-70.9-3.3-176.700000116Q46 H48Q46-A50 PolarHBondContact O-N 3.43Å; H48-A50 VanDerWaalsContact C-N 3.32Å
51N37.5Very low45.6Very low147 Ų147125.3 Ų125.379%0.78664%0.638SS**THydrogen-bonded Turntrans-116.427-174.6-79.9-72.3000114.6T49T49-N51 PolarHBondContact O-N 2.9Å; T49-N51 VanDerWaalsContact O-N 3.16Å
52L33.1Very low42.7Very low139 Ų139133.4 Ų133.473%0.72867%0.67SS**SBendtrans-122.8133.8175.3-84.5152.6000111.6
53P28.9Very low40Very low129 Ų129139.3 Ų139.384%0.83870%0.695SS**  trans-74.5131.5172.930.2-32.9000111.1
54Q30.7Very low37.4Very low184 Ų184142.6 Ų142.686%0.8671%0.71SS**  trans-125.3116.4-169.7-173.6-1712700113.4
55V29.7Very low35.8Very low123 Ų123144 Ų14475%0.74572%0.723SS**  trans-166.7148.8160.2-111.30000107.9
56F24.6Very low33.5Very low181 Ų181146.8 Ų146.879%0.79474%0.741SS**  cis-128.2166.33.2-101.6-88.9000107.9
57N25.9Very low31.9Very low123 Ų123147.2 Ų147.266%0.65875%0.752SS**  cis-126.2172.219.4-99.11.4000109.7
58E29.7Very low30.5Very low165 Ų165153.3 Ų153.377%0.77177%0.765SS**  cis-156.9148.75.5-133.5163.1-12800110.3
59G25.5Very low29.3Very low70 Ų70155 Ų15572%0.72277%0.773SS**  trans99.3113.1149.800000121.6
60R28.6Very low28.4Very low230 Ų230156.9 Ų156.987%0.86879%0.785SS**  trans80.5113.5138.4-66.1-167.9-178.9-146.21.2122.8
61Y25.6Very low28.8Very low198 Ų198158.8 Ų158.878%0.77679%0.79SS**  trans76.6100.9138.9-79.6-102.2000122.9
62Y25.8Very low28.2Very low207 Ų207157.8 Ų157.881%0.81280%0.795SS**  52.5103.9122.9-95.4-72.8000122
63K26Very low28Very low198 Ų198159.6 Ų159.686%0.86180%0.799SS**  161.2151.9107.2-91.1-176.7-179.9-177.60115.5
64Q23.9Very low27.8Very low184 Ų184160.6 Ų160.686%0.8680%0.802SS**  trans-89.9172.8160.2-108.4-176.5-16.500110
65P39.2Very low27.6Very low100 Ų100155.7 Ų155.765%0.64979%0.789SS**  cis-144.6-173.831.143.7-23.2000117.6
66E25.2Very low27.5Very low176 Ų176158.5 Ų158.582%0.82279%0.791SS**  trans33.7137.8143.1-66.4163.1-172.300120.9
67T25.2Very low27.6Very low130 Ų130157.1 Ų157.180%0.79879%0.79SS**  -167.8175.872.1-56.90000112.5
68R25.8Very low27.7Very low224 Ų224158.9 Ų158.985%0.84580%0.799SS**  trans-55.2171.7172.2-52.9172171.1157.3-3.9113.5
69E23.4Very low27.5Very low178 Ų178161.8 Ų161.883%0.83280%0.803SS**  cis-152.7175.641.9-70.1-172153.400116.1
70T23.4Very low27.9Very low129 Ų129164 Ų16479%0.79181%0.805SS**  trans-134.1173.8-178.550.20000109.4
71P46.1Very low27.9Very low119 Ų119157.2 Ų157.277%0.77379%0.792SS**  cis-132.7-177.7-27.236-18.6000113
72S26.2Very low28.1Very low127 Ų127150.9 Ų150.989%0.88878%0.78SS**  trans-151.3154.9143.668.30000111.8
73H28.5Very low28.5Very low177 Ų177145.9 Ų145.982%0.81976%0.764SS**  trans-133.4119.5-162.5-148.6-69.5000110.8
74V24.8Very low28.7Very low149 Ų149145 Ų14590%0.90376%0.76SS**  trans-137.5154.8159.8-173.40000107.7
75S26.5Very low29Very low82 Ų82142.9 Ų142.957%0.57375%0.75SS**  trans-132.4172.4-157.358.10000114.2
76K27.6Very low28.6Very low181 Ų181144.7 Ų144.779%0.78775%0.75SS**  trans90.6144.6168.9-57.5172.3-176.6176.30115.2
77I26.5Very low29.2Very low152 Ų152141.9 Ų141.978%0.77974%0.741SS**  cis-147.9148.9-8.1-114.4157.8000107.9
78D28.2Very low29.7Very low160 Ų160138.5 Ų138.586%0.85672%0.718SS**  trans-120.1151.2175.5-137.2-34000110.8
79R26.1Very low30.7Very low227 Ų227130.4 Ų130.486%0.85770%0.699SS**  trans-152.6109.2179.5-156.6-179.3-161.4-155.73.9112.2
80P34Very low32Very low116 Ų116125.4 Ų125.475%0.75368%0.676SS**  trans-69.4151-178.9-19.232.1000113.6
81C27.2Very low33.3Very low88 Ų88125.1 Ų125.160%0.59567%0.665SS**  trans-95.6125.1168.5-176.80000110.2
82A30.6Very low33.9Very low64 Ų64124.2 Ų124.253%0.52965%0.649SS.*SBendtrans-71.6-36.8-170.100000114.5K84 Q85A82-K84 PolarHBondContact O-N 2.85Å; A82-Q85 VanDerWaalsContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CB 3.46Å; A82-Q85 PolarHBondContact O-N 3.06Å
83Q34.8Very low35.4Very low102 Ų102119.7 Ų119.748%0.47761%0.613SS.*Hα-helixtrans-60.5-41.7-169-62.8-174.4-75.200112.9Q85 E86Q83-Q85 PolarHBondContact O-N 3.15Å; Q83-Q85 VanDerWaalsContact O-N 3.09Å; Q83-E86 PolarHBondContact O-N 2.7Å
84K29.8Very low36.7Very low180 Ų180112.1 Ų112.178%0.78358%0.578SS**Hα-helixtrans-69.3-7.6178.9-152.1175.3-174.1178.80113.7A82A82-K84 PolarHBondContact O-N 2.85Å
85Q29.1Very low38.3Very low139 Ų139108 Ų10865%0.6556%0.555SS**Hα-helixtrans-91.5-27.7176.4-167.6172.5-6.700112.2A82 Q83 A89A82-Q85 VanDerWaalsContact O-CB 3.25Å; A82-Q85 WeakPolarHBondContact O-CB 3.46Å; A82-Q85 PolarHBondContact O-N 3.06Å; Q83-Q85 PolarHBondContact O-N 3.15Å; Q83-Q85 VanDerWaalsContact O-N 3.09Å; Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 2.98Å; Q85-A89 VanDerWaalsContact O-N 3.16Å
86E32.1Very low40Very low138 Ų138109 Ų10965%0.64555%0.547SS*.Hα-helixtrans-77.9-49.7178.9-70-179.4123.200111.7Q83 N88 A89 Q90Q83-E86 PolarHBondContact O-N 2.7Å; E86-N88 VanDerWaalsContact C-N 3.31Å; E86-N88 PolarHBondContact O-N 2.85Å; E86-A89 CarbonylContact O-C 3.59Å; E86-A89 WeakPolarHBondContact O-CA 3.36Å; E86-A89 WeakPolarHBondContact O-CB 2.99Å; E86-A89 PolarHBondContact O-N 3.38Å; E86-Q90 PolarHBondContact O-N 3.13Å
87D36.7Very low41.9Very low117 Ų117100.9 Ų100.963%0.62651%0.514SS*.Hα-helixtrans-52.1-50.8176.4-65.6-34.6000111.3A89 Q90 E91D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 3.34Å; D87-Q90 PolarHBondContact O-N 3.49Å; D87-E91 WeakPolarHBondContact O-CB 3.34Å; D87-E91 PolarHBondContact O-N 2.87Å
88N36.4Very low44.2Very low60 Ų6094.1 Ų94.132%0.32148%0.48SS..Hα-helixtrans-73.4-19.2-178.9-171.3-116.6000112.9E86 E91 K92E86-N88 VanDerWaalsContact C-N 3.31Å; E86-N88 PolarHBondContact O-N 2.85Å; N88-E91 PolarHBondContact ND2-OE2 3.24Å; N88-K92 VanDerWaalsContact O-CB 3.27Å; N88-K92 WeakPolarHBondContact O-CB 3.29Å; N88-K92 VanDerWaalsContact O-CD 3.26Å; N88-K92 WeakPolarHBondContact O-CD 3.37Å; N88-K92 WeakPolarHBondContact O-CG 3.16Å; N88-K92 PolarHBondContact O-N 3.09Å; N88-K92 VanDerWaalsContact OD1-CE 3.25Å; N88-K92 WeakPolarHBondContact OD1-CE 3.43Å; N88-K92 PolarHBondContact OD1-NZ 3.39Å
89A47.4Very low46.1Very low53 Ų5386.9 Ų86.944%0.43844%0.442SS..Hα-helixtrans-76.2-40.1168.300000111.5Q85 E86 D87 K92 R93Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 2.98Å; Q85-A89 VanDerWaalsContact O-N 3.16Å; E86-A89 CarbonylContact O-C 3.59Å; E86-A89 WeakPolarHBondContact O-CA 3.36Å; E86-A89 WeakPolarHBondContact O-CB 2.99Å; E86-A89 PolarHBondContact O-N 3.38Å; D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 3.34Å; A89-K92 PolarHBondContact O-N 2.71Å; A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 2.99Å
90Q49.7Very low48.1Very low74 Ų7479.5 Ų79.535%0.34642%0.417SS..Hα-helixtrans-68.7-41.4177.8-167.4161.80.600111.5E86 D87 R93 L94E86-Q90 PolarHBondContact O-N 3.13Å; D87-Q90 PolarHBondContact O-N 3.49Å; Q90-R93 WeakPolarHBondContact O-CB 3.5Å; Q90-R93 PolarHBondContact O-N 3.22Å; Q90-L94 HydrophobicContact CG-CD1 3.94Å; Q90-L94 WeakPolarHBondContact O-CB 3.46Å; Q90-L94 WeakPolarHBondContact O-CD1 3.29Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 2.92Å
91E52Low49.2Very low122 Ų12274.4 Ų74.457%0.5738%0.384SS*.Hα-helixtrans-57.7-49.5170.1-178.5-173.9-145.800112.4D87 N88 R93 L94 S95D87-E91 WeakPolarHBondContact O-CB 3.34Å; D87-E91 PolarHBondContact O-N 2.87Å; N88-E91 PolarHBondContact ND2-OE2 3.24Å; E91-R93 VanDerWaalsContact C-N 3.27Å; E91-R93 PolarHBondContact O-N 3.47Å; E91-L94 PolarHBondContact O-N 2.8Å; E91-S95 PolarHBondContact O-N 3.14Å; E91-S95 VanDerWaalsContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 2.96Å
92K57.8Low51.1Low100 Ų10070.9 Ų70.944%0.43536%0.361SS..Hα-helixtrans-62.6-31.6174.8-79.7170.4180158.10113.2N88 A89 S95 R96N88-K92 VanDerWaalsContact O-CB 3.27Å; N88-K92 WeakPolarHBondContact O-CB 3.29Å; N88-K92 VanDerWaalsContact O-CD 3.26Å; N88-K92 WeakPolarHBondContact O-CD 3.37Å; N88-K92 WeakPolarHBondContact O-CG 3.16Å; N88-K92 PolarHBondContact O-N 3.09Å; N88-K92 VanDerWaalsContact OD1-CE 3.25Å; N88-K92 WeakPolarHBondContact OD1-CE 3.43Å; N88-K92 PolarHBondContact OD1-NZ 3.39Å; A89-K92 PolarHBondContact O-N 2.71Å; K92-S95 WeakPolarHBondContact CA-OG 3.48Å; K92-S95 PolarHBondContact O-OG 3.29Å; K92-S95 VanDerWaalsContact O-OG 3.07Å; K92-R96 WeakPolarHBondContact O-CD 3.47Å; K92-R96 WeakPolarHBondContact O-CG 3.2Å; K92-R96 PolarHBondContact O-NE 2.7Å; K92-R96 VanDerWaalsContact O-NE 3.14Å
93R58.3Low52.9Low33 Ų3372 Ų7213%0.12537%0.365CS..Hα-helixtrans-73.4-44.8177.9170.1-170.1178.8-176.311.2111.5A89 Q90 E91 S95 R96 G97 R149 D150 I152 E153A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 2.99Å; Q90-R93 WeakPolarHBondContact O-CB 3.5Å; Q90-R93 PolarHBondContact O-N 3.22Å; E91-R93 VanDerWaalsContact C-N 3.27Å; E91-R93 PolarHBondContact O-N 3.47Å; R93-S95 VanDerWaalsContact C-N 3.35Å; R93-S95 PolarHBondContact O-N 3.26Å; R93-R96 WeakPolarHBondContact O-CA 3.17Å; R93-R96 WeakPolarHBondContact O-CB 3.38Å; R93-R96 PolarHBondContact O-N 3.19Å; R93-G97 PolarHBondContact O-N 3.28Å; R93-R149 VanDerWaalsContact CZ-O 3.26Å; R93-R149 PolarHBondContact NE-O 2.69Å; R93-R149 PolarHBondContact NH2-O 2.69Å; R93-D150 VanDerWaalsContact CG-O 3.26Å; R93-D150 WeakPolarHBondContact CG-O 3.45Å; R93-D150 PolarHBondContact NE-O 2.88Å; R93-I152 PolarHBondContact NH2-O 2.97Å; R93-E153 IonicContact CZ-OE1 3.04Å; R93-E153 IonicContact CZ-OE2 2.65Å; R93-E153 IonicContact NH1-OE1 2.65Å; R93-E153 PolarHBondContact NH1-OE1 3.08Å; R93-E153 IonicContact NH1-OE2 3.9Å; R93-E153 PolarHBondContact NH1-OE2 3.26Å; R93-E153 IonicContact NH2-OE1 3.08Å
94L55.6Low54.9Low17 Ų1770 Ų709%0.08937%0.366CS..Hα-helixtrans-66.2-38.8-178.9-71160.5000111.5Q90 E91 R96 G97 H100 A183 T184 T185Q90-L94 HydrophobicContact CG-CD1 3.94Å; Q90-L94 WeakPolarHBondContact O-CB 3.46Å; Q90-L94 WeakPolarHBondContact O-CD1 3.29Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 2.92Å; E91-L94 PolarHBondContact O-N 2.8Å; L94-R96 PolarHBondContact O-N 3.46Å; L94-R96 VanDerWaalsContact O-N 3.15Å; L94-G97 PolarHBondContact O-N 3.03Å; L94-G97 VanDerWaalsContact O-N 3.16Å; L94-H100 PolarHBondContact O-CD2 2.84Å; L94-A183 HydrophobicContact CD2-CB 4.37Å; L94-T184 WeakPolarHBondContact CD2-O 3Å; L94-T185 HydrophobicContact CB-CG2 3.99Å; L94-T185 HydrophobicContact CD1-CG2 3.94Å; L94-T185 HydrophobicContact CD2-CG2 4.18Å; L94-T185 HydrophobicContact CG-CG2 4.26Å
95S57.5Low57.1Low62 Ų6263 Ų6343%0.43434%0.336SS..THydrogen-bonded Turntrans-66.9-2.6169.249.40000114.9E91 K92 R93 H100E91-S95 PolarHBondContact O-N 3.14Å; E91-S95 VanDerWaalsContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 2.96Å; K92-S95 WeakPolarHBondContact CA-OG 3.48Å; K92-S95 PolarHBondContact O-OG 3.29Å; K92-S95 VanDerWaalsContact O-OG 3.07Å; R93-S95 VanDerWaalsContact C-N 3.35Å; R93-S95 PolarHBondContact O-N 3.26Å; S95-H100 WeakPolarHBondContact O-CB 3.41Å
96R63Low59.4Low105 Ų10556.5 Ų56.540%0.39631%0.306SS..THydrogen-bonded Turntrans-108.2-9172.1-66.2158.9-176.1-162.2-3.6113.8K92 R93 L94 Y653K92-R96 WeakPolarHBondContact O-CD 3.47Å; K92-R96 WeakPolarHBondContact O-CG 3.2Å; K92-R96 PolarHBondContact O-NE 2.7Å; K92-R96 VanDerWaalsContact O-NE 3.14Å; R93-R96 WeakPolarHBondContact O-CA 3.17Å; R93-R96 WeakPolarHBondContact O-CB 3.38Å; R93-R96 PolarHBondContact O-N 3.19Å; L94-R96 PolarHBondContact O-N 3.46Å; L94-R96 VanDerWaalsContact O-N 3.15Å; R96-Y653 WeakPolarHBondContact O-CD2 3.45Å; R96-Y653 VanDerWaalsContact O-CE2 3.24Å; R96-Y653 WeakPolarHBondContact O-CE2 3.4Å
97G68Low61.7Low10 Ų1053.2 Ų53.210%0.10330%0.299CS..SBendtrans-64.7169.7-177.100000113.6R93 L94 S99 H100 A101R93-G97 PolarHBondContact O-N 3.28Å; L94-G97 PolarHBondContact O-N 3.03Å; L94-G97 VanDerWaalsContact O-N 3.16Å; G97-S99 PolarHBondContact O-N 3.29Å; G97-H100 PolarHBondContact O-N 3.25Å; G97-A101 PolarHBondContact O-N 3.12Å
98I74.3Confident63.8Low10 Ų1052.6 Ų52.65%0.05130%0.295CS..Hα-helixtrans-51.9-35.5-176-61.5167.5000112.2H100 A101 F131 L151 M649 Y653I98-H100 PolarHBondContact O-N 3.39Å; I98-A101 WeakPolarHBondContact O-CB 3.3Å; I98-A101 PolarHBondContact O-N 3.02Å; I98-F131 HydrophobicContact CD1-CE1 4.28Å; I98-F131 HydrophobicContact CD1-CZ 3.88Å; I98-L151 HydrophobicContact CD1-CD1 4.24Å; I98-L151 HydrophobicContact CD1-CD2 4.24Å; I98-L151 HydrophobicContact CG1-CD2 3.92Å; I98-M649 HydrophobicContact CG2-CB 3.95Å; I98-Y653 HydrophobicContact CG1-CD1 4.31Å; I98-Y653 HydrophobicContact CG1-CD2 4.2Å; I98-Y653 HydrophobicContact CG1-CG 3.89Å
99S68.6Low65.8Low8 Ų849.7 Ų49.76%0.05628%0.279CS..Hα-helixtrans-66-16.2178-45.70000115.5G97 F202 H203G97-S99 PolarHBondContact O-N 3.29Å; S99-F202 VanDerWaalsContact OG-CA 3.27Å; S99-F202 WeakPolarHBondContact OG-CA 3.34Å; S99-H203 PolarHBondContact OG-N 3.41Å; S99-H203 VanDerWaalsContact OG-N 3.08Å; S99-H203 PolarHBondContact OG-ND1 3.1Å
100H67.4Low67.4Low71 Ų7147.7 Ų47.733%0.32926%0.26SS..Hα-helixtrans-108.8-12.8177.3-72.6-89.8000112.7L94 S95 G97 I98 S102 R205L94-H100 PolarHBondContact O-CD2 2.84Å; S95-H100 WeakPolarHBondContact O-CB 3.41Å; G97-H100 PolarHBondContact O-N 3.25Å; I98-H100 PolarHBondContact O-N 3.39Å; H100-S102 PolarHBondContact O-N 3.46Å; H100-R205 PolarHBondContact CE1-NH1 3.25Å; H100-R205 PolarHBondContact NE2-NE 3.41Å; H100-R205 PolarHBondContact NE2-NH2 2.77Å; H100-R205 VanDerWaalsContact NE2-NH2 3.2Å
101A58Low68.8Low9 Ų948.8 Ų48.87%0.07427%0.268CS..Hα-helixtrans-54.9-50.5-175.800000112.4G97 I98 Y652 N656G97-A101 PolarHBondContact O-N 3.12Å; I98-A101 WeakPolarHBondContact O-CB 3.3Å; I98-A101 PolarHBondContact O-N 3.02Å; A101-Y652 HydrophobicContact CB-CD1 4.3Å; A101-Y652 WeakPolarHBondContact O-CD1 3.15Å; A101-Y652 WeakPolarHBondContact O-CE1 3.27Å; A101-N656 PolarHBondContact O-ND2 3.19Å
102S65.8Low70.1Confident15 Ų1545.3 Ų45.311%0.10525%0.252CS..THydrogen-bonded Turntrans-133.597.7171.9179.80000110.2H100 A104 I105 V106H100-S102 PolarHBondContact O-N 3.46Å; S102-A104 PolarHBondContact O-N 3.28Å; S102-I105 PolarHBondContact O-N 3.12Å; S102-I105 WeakPolarHBondContact OG-CD1 3.44Å; S102-I105 WeakPolarHBondContact OG-CG1 3.41Å; S102-I105 PolarHBondContact OG-N 2.82Å; S102-V106 WeakPolarHBondContact O-CB 3.41Å; S102-V106 VanDerWaalsContact O-CG2 3.29Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.67Å
103S69.3Low70.9Confident87 Ų8740.8 Ų40.861%0.60823%0.233SC*.Hα-helixtrans-57.9-37178.958.70000112.2S107S103-S107 VanDerWaalsContact O-CB 3.27Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 3.03Å; S103-S107 PolarHBondContact O-OG 2.78Å
104A75.4Confident71.6Confident61 Ų6140.6 Ų40.650%0.50424%0.238SC..Hα-helixtrans-63.9-47.1178.100000112.9S102 S107 L108S102-A104 PolarHBondContact O-N 3.28Å; A104-S107 PolarHBondContact O-N 3.45Å; A104-L108 WeakPolarHBondContact O-CG 3.23Å; A104-L108 PolarHBondContact O-N 3.17Å
105I76.9Confident72.2Confident31 Ų3144.6 Ų44.616%0.15926%0.26CS..Hα-helixtrans-68.2-42.9178.9-63.1172.2000110S102 S107 L108 A109 F645 E648 M649S102-I105 PolarHBondContact O-N 3.12Å; S102-I105 WeakPolarHBondContact OG-CD1 3.44Å; S102-I105 WeakPolarHBondContact OG-CG1 3.41Å; S102-I105 PolarHBondContact OG-N 2.82Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.99Å; I105-L108 PolarHBondContact O-N 3.03Å; I105-A109 WeakPolarHBondContact O-CB 3.16Å; I105-A109 PolarHBondContact O-N 2.75Å; I105-F645 HydrophobicContact CG2-CB 3.84Å; I105-F645 HydrophobicContact CG2-CD1 4.15Å; I105-F645 HydrophobicContact CG2-CG 4.14Å; I105-E648 HydrophobicContact CD1-CB 3.98Å; I105-M649 HydrophobicContact CB-CG 4.48Å; I105-M649 HydrophobicContact CG2-CG 3.71Å; I105-M649 HydrophobicContact CG2-SD 4.49Å
106V77.9Confident72.4Confident3 Ų344.8 Ų44.82%0.01825%0.254CS..Hα-helixtrans-61.8-39.7175.8169.20000111.4S102 A109 R110 F202 M649S102-V106 WeakPolarHBondContact O-CB 3.41Å; S102-V106 VanDerWaalsContact O-CG2 3.29Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.67Å; V106-A109 PolarHBondContact O-N 2.7Å; V106-R110 VanDerWaalsContact CG1-NE 3.32Å; V106-R110 WeakPolarHBondContact O-CB 3.42Å; V106-R110 WeakPolarHBondContact O-CG 3.5Å; V106-R110 PolarHBondContact O-N 3.44Å; V106-F202 HydrophobicContact CG1-CB 4.17Å; V106-F202 HydrophobicContact CG1-CG 4.43Å; V106-M649 HydrophobicContact CG2-CG 4.29Å; V106-M649 HydrophobicContact CG2-SD 3.56Å; V106-M649 VanDerWaalsContact CG2-SD 3.56Å
107S79.2Confident72.2Confident70 Ų7041.7 Ų41.749%0.4925%0.248SC..Hα-helixtrans-67.3-36.2174.6-69.70000113.2S103 A104 I105 L111S103-S107 VanDerWaalsContact O-CB 3.27Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 3.03Å; S103-S107 PolarHBondContact O-OG 2.78Å; A104-S107 PolarHBondContact O-N 3.45Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.99Å; S107-L111 VanDerWaalsContact O-CB 3.32Å; S107-L111 WeakPolarHBondContact O-CB 3.39Å; S107-L111 PolarHBondContact O-N 3.26Å
108L80.4Confident71.4Confident103 Ų10346 Ų4654%0.53927%0.272SS..Hα-helixtrans-67-41.7172.8-71.6169.9000111.6A104 I105 L111 Q112A104-L108 WeakPolarHBondContact O-CG 3.23Å; A104-L108 PolarHBondContact O-N 3.17Å; I105-L108 PolarHBondContact O-N 3.03Å; L108-L111 PolarHBondContact O-N 2.98Å; L108-Q112 PolarHBondContact O-N 3.39Å
109A78.6Confident69.9Low0 Ų048.7 Ų48.70%029%0.292CS..Hα-helixtrans-62.6-43.517600000112.1I105 V106 Q112 V113 F202 F645I105-A109 WeakPolarHBondContact O-CB 3.16Å; I105-A109 PolarHBondContact O-N 2.75Å; V106-A109 PolarHBondContact O-N 2.7Å; A109-Q112 PolarHBondContact O-N 3.44Å; A109-V113 WeakPolarHBondContact O-CG2 3.47Å; A109-V113 PolarHBondContact O-N 2.91Å; A109-V113 VanDerWaalsContact O-N 3.15Å; A109-F202 HydrophobicContact CB-CD1 4.17Å; A109-F202 HydrophobicContact CB-CE1 3.56Å; A109-F202 HydrophobicContact CB-CZ 4.35Å; A109-F645 HydrophobicContact CB-CB 4.46Å; A109-F645 HydrophobicContact CB-CD2 3.46Å; A109-F645 VanDerWaalsContact CB-CD2 3.46Å; A109-F645 HydrophobicContact CB-CE2 4.07Å; A109-F645 HydrophobicContact CB-CG 4.26Å
110R81.2Confident68.6Low10 Ų1057.2 Ų57.24%0.03833%0.331CS..Hα-helixtrans-59.4-48.1171.8-72.7167.8-169.2-58.5-10.6112.4V106 Q112 V113 A114 F202 H203 D206 M208V106-R110 VanDerWaalsContact CG1-NE 3.32Å; V106-R110 WeakPolarHBondContact O-CB 3.42Å; V106-R110 WeakPolarHBondContact O-CG 3.5Å; V106-R110 PolarHBondContact O-N 3.44Å; R110-Q112 VanDerWaalsContact C-N 3.29Å; R110-Q112 PolarHBondContact O-N 3.22Å; R110-V113 PolarHBondContact O-N 3Å; R110-A114 WeakPolarHBondContact O-CB 3.29Å; R110-A114 PolarHBondContact O-N 2.85Å; R110-F202 HydrophobicContact CG-CD2 4.25Å; R110-F202 HydrophobicContact CG-CE2 3.82Å; R110-F202 HydrophobicContact CG-CZ 4.13Å; R110-H203 PolarHBondContact NH1-O 2.9Å; R110-H203 PolarHBondContact NH2-O 2.83Å; R110-D206 WeakPolarHBondContact CB-OD2 3.5Å; R110-D206 VanDerWaalsContact CD-OD2 3.32Å; R110-D206 WeakPolarHBondContact CD-OD2 3.35Å; R110-M208 HydrophobicContact CB-CE 4.41Å
111L80.3Confident67.2Low97 Ų9762.1 Ų62.151%0.50835%0.354SS..Hα-helixtrans-62.5-36.9-178.7-179.760.9000111.8S107 L108 N115S107-L111 VanDerWaalsContact O-CB 3.32Å; S107-L111 WeakPolarHBondContact O-CB 3.39Å; S107-L111 PolarHBondContact O-N 3.26Å; L108-L111 PolarHBondContact O-N 2.98Å; L111-N115 PolarHBondContact O-N 3.5Å; L111-N115 VanDerWaalsContact O-N 3.08Å; L111-N115 PolarHBondContact O-ND2 3.29Å
112Q77.8Confident66.1Low50 Ų5069.4 Ų69.423%0.23438%0.384CS..Hα-helixtrans-60.2-55.1171.6177.4178.4-8.100111.1L108 A109 R110 A114 N115 E116L108-Q112 PolarHBondContact O-N 3.39Å; A109-Q112 PolarHBondContact O-N 3.44Å; R110-Q112 VanDerWaalsContact C-N 3.29Å; R110-Q112 PolarHBondContact O-N 3.22Å; Q112-A114 PolarHBondContact O-N 3.35Å; Q112-N115 WeakPolarHBondContact O-CB 3.29Å; Q112-N115 PolarHBondContact O-N 3.36Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.24Å; Q112-E116 PolarHBondContact NE2-OE1 2.97Å; Q112-E116 WeakPolarHBondContact O-CG 3.43Å; Q112-E116 PolarHBondContact O-N 2.83Å
113V74.9Confident65.4Low4 Ų472.3 Ų72.32%0.02440%0.403CS..Hα-helixtrans-59-36.2179.7172.40000111.7A109 R110 E116 C117 W200 F202 M208A109-V113 WeakPolarHBondContact O-CG2 3.47Å; A109-V113 PolarHBondContact O-N 2.91Å; A109-V113 VanDerWaalsContact O-N 3.15Å; R110-V113 PolarHBondContact O-N 3Å; V113-E116 PolarHBondContact O-N 3.39Å; V113-C117 WeakPolarHBondContact O-CB 3.48Å; V113-C117 PolarHBondContact O-N 3.01Å; V113-W200 HydrophobicContact CG1-CH2 3.9Å; V113-W200 HydrophobicContact CG1-CZ2 3.5Å; V113-W200 HydrophobicContact CG2-CD2 4.3Å; V113-W200 HydrophobicContact CG2-CG 4.35Å; V113-W200 HydrophobicContact CG2-CZ2 4.24Å; V113-F202 HydrophobicContact CG2-CZ 4.33Å; V113-M208 HydrophobicContact CB-CE 4.19Å; V113-M208 HydrophobicContact CG1-CE 3.88Å; V113-M208 HydrophobicContact CG1-SD 4.35Å
114A73.7Confident64.7Low29 Ų2970.6 Ų70.624%0.2439%0.386CS..Hα-helixtrans-65.7-38.3175.200000113.1R110 Q112 C117 T118 M208R110-A114 WeakPolarHBondContact O-CB 3.29Å; R110-A114 PolarHBondContact O-N 2.85Å; Q112-A114 PolarHBondContact O-N 3.35Å; A114-C117 PolarHBondContact O-N 2.82Å; A114-T118 WeakPolarHBondContact O-CG2 3.44Å; A114-T118 PolarHBondContact O-N 2.86Å; A114-T118 PolarHBondContact O-OG1 2.99Å; A114-M208 HydrophobicContact CB-SD 3.67Å
115N67.6Low63.9Low101 Ų10175.7 Ų75.754%0.5440%0.4SS..Hα-helixtrans-71.3-38.4176.4-66.9-33.8000111.4L111 Q112 C117 T118L111-N115 PolarHBondContact O-N 3.5Å; L111-N115 VanDerWaalsContact O-N 3.08Å; L111-N115 PolarHBondContact O-ND2 3.29Å; Q112-N115 WeakPolarHBondContact O-CB 3.29Å; Q112-N115 PolarHBondContact O-N 3.36Å; N115-C117 VanDerWaalsContact C-N 3.28Å; N115-C117 PolarHBondContact O-N 3.25Å; N115-T118 PolarHBondContact O-N 2.95Å; N115-T118 PolarHBondContact O-OG1 3.18Å
116E62.9Low63.6Low66 Ų6674.7 Ų74.731%0.30839%0.394SS..Hα-helixtrans-66.3-31.8172.8-69.6160.5-179.200111.7Q112 V113Q112-E116 WeakPolarHBondContact CG-OE1 3.24Å; Q112-E116 PolarHBondContact NE2-OE1 2.97Å; Q112-E116 WeakPolarHBondContact O-CG 3.43Å; Q112-E116 PolarHBondContact O-N 2.83Å; V113-E116 PolarHBondContact O-N 3.39Å
117C57Low63.3Low41 Ų4175.1 Ų75.128%0.27740%0.397SS..Hα-helixtrans-75.5-17.7177-174.20000114.8V113 A114 N115 L124V113-C117 WeakPolarHBondContact O-CB 3.48Å; V113-C117 PolarHBondContact O-N 3.01Å; A114-C117 PolarHBondContact O-N 2.82Å; N115-C117 VanDerWaalsContact C-N 3.28Å; N115-C117 PolarHBondContact O-N 3.25Å; C117-L124 HydrophobicContact CB-CD2 3.89Å
118T51.7Low63Low101 Ų10175.1 Ų75.162%0.6239%0.391SS*.THydrogen-bonded Turntrans-105.14.8-172.942.80000114.3A114 N115 E120A114-T118 WeakPolarHBondContact O-CG2 3.44Å; A114-T118 PolarHBondContact O-N 2.86Å; A114-T118 PolarHBondContact O-OG1 2.99Å; N115-T118 PolarHBondContact O-N 2.95Å; N115-T118 PolarHBondContact O-OG1 3.18Å; T118-E120 PolarHBondContact O-N 2.8Å
119S44.2Very low62.8Low65 Ų6571.8 Ų71.846%0.45537%0.372SS..  trans-85.281.9178.3-1680000112.1Q121 F122S119-Q121 PolarHBondContact O-N 3.47Å; S119-F122 PolarHBondContact O-N 3.33Å
120E40.5Very low63Low188 Ų18872 Ų7288%0.87937%0.373SS*.THydrogen-bonded Turntrans-51.2-6.2179.3-72.7-73.7121.200116.5T118T118-E120 PolarHBondContact O-N 2.8Å
121Q37.7Very low63.4Low173 Ų17371.5 Ų71.581%0.80837%0.371SS*.THydrogen-bonded Turntrans-102.5-16.3-175.7-63.9-175.81.700114.4S119S119-Q121 PolarHBondContact O-N 3.47Å
122F35.8Very low63.8Low163 Ų16367.5 Ų67.572%0.71535%0.35SS*.SBendtrans-140.7143.5173.6-78.1-85.5000110.3S119 L124S119-F122 PolarHBondContact O-N 3.33Å; F122-L124 PolarHBondContact O-N 3.2Å
123P49.9Very low64.3Low76 Ų7665.1 Ų65.149%0.49434%0.339SS..  trans-70.7123.2-176.829.1-34.1000111.6E125P123-E125 PolarHBondContact O-N 2.84Å
124L54.2Low65Low51 Ų5165.9 Ų65.927%0.26734%0.343SS..  trans10.393.8150.2-81.9157000114.2C117 F122 M126C117-L124 HydrophobicContact CB-CD2 3.89Å; F122-L124 PolarHBondContact O-N 3.2Å; L124-M126 HydrophobicContact CB-CE 4.13Å; L124-M126 HydrophobicContact CB-CG 4.18Å; L124-M126 HydrophobicContact CD2-CE 3.46Å; L124-M126 VanDerWaalsContact CD2-CE 3.46Å; L124-M126 HydrophobicContact CD2-SD 4.05Å; L124-M126 HydrophobicContact CG-CE 4.43Å; L124-M126 PolarHBondContact O-N 2.8Å
125E58.8Low65.7Low167 Ų16765.6 Ų65.678%0.7834%0.338SS*.  trans-7775.1175.4-168.1168.1175.400109.8P123P123-E125 PolarHBondContact O-N 2.84Å
126M72.2Confident66.7Low10 Ų1060.9 Ų60.95%0.04931%0.312CS..  trans-71.9143.6-179.5-62.9-65.786.500111.3L124 I128 W200 L302 H342L124-M126 HydrophobicContact CB-CE 4.13Å; L124-M126 HydrophobicContact CB-CG 4.18Å; L124-M126 HydrophobicContact CD2-CE 3.46Å; L124-M126 VanDerWaalsContact CD2-CE 3.46Å; L124-M126 HydrophobicContact CD2-SD 4.05Å; L124-M126 HydrophobicContact CG-CE 4.43Å; L124-M126 PolarHBondContact O-N 2.8Å; M126-I128 PolarHBondContact O-N 2.85Å; M126-W200 HydrophobicContact CE-CZ2 4.19Å; M126-W200 HydrophobicContact SD-CH2 4.29Å; M126-W200 HydrophobicContact SD-CZ2 3.89Å; M126-L302 HydrophobicContact SD-CD2 4.39Å; M126-H342 PolarHBondContact O-NE2 3.28Å
127P70.1Confident67.9Low12 Ų1261.3 Ų61.38%0.07832%0.323CS..  trans-63.7122.8-179.727.5-36.5000110.8Y129 M199 R304P127-Y129 HydrophobicContact CB-CD1 4.27Å; P127-Y129 HydrophobicContact CB-CD2 4.05Å; P127-Y129 HydrophobicContact CB-CE1 3.85Å; P127-Y129 HydrophobicContact CB-CE2 3.6Å; P127-Y129 HydrophobicContact CB-CG 4.37Å; P127-Y129 VanDerWaalsContact CB-CZ 3.49Å; P127-Y129 PolarHBondContact O-N 2.88Å; P127-M199 HydrophobicContact CG-CB 3.75Å; P127-M199 HydrophobicContact CG-CG 4.22Å; P127-M199 HydrophobicContact CG-SD 4.29Å; P127-R304 PolarHBondContact O-NH1 2.79Å
128I74.1Confident69.5Low70 Ų7063 Ų6336%0.35933%0.332SS..  trans-70.7-18.1178.870.6177.5000113.1M126 H342 S344 L638M126-I128 PolarHBondContact O-N 2.85Å; I128-H342 WeakPolarHBondContact CG2-ND1 3.36Å; I128-S344 WeakPolarHBondContact O-CB 3.49Å; I128-S344 PolarHBondContact O-OG 2.96Å; I128-L638 HydrophobicContact CD1-CD1 4.38Å
129Y75.7Confident71.3Confident34 Ų3462.2 Ų62.213%0.13332%0.318CS..SBendtrans-92.1156.2-175.346.4-96.7000112.4P127 R304 L638 H641 H643 H646P127-Y129 HydrophobicContact CB-CD1 4.27Å; P127-Y129 HydrophobicContact CB-CD2 4.05Å; P127-Y129 HydrophobicContact CB-CE1 3.85Å; P127-Y129 HydrophobicContact CB-CE2 3.6Å; P127-Y129 HydrophobicContact CB-CG 4.37Å; P127-Y129 VanDerWaalsContact CB-CZ 3.49Å; P127-Y129 PolarHBondContact O-N 2.88Å; Y129-R304 PolarHBondContact O-NH1 2.82Å; Y129-L638 CarbonylContact C-O 3.51Å; Y129-L638 VanDerWaalsContact CA-O 3.25Å; Y129-L638 WeakPolarHBondContact CA-O 2.98Å; Y129-H641 WeakPolarHBondContact CB-O 3.15Å; Y129-H641 HydrophobicContact CD1-CB 3.67Å; Y129-H641 WeakPolarHBondContact CD2-O 3.36Å; Y129-H641 HydrophobicContact CE1-CB 4.18Å; Y129-H641 HydrophobicContact CG-CB 4.18Å; Y129-H641 VanDerWaalsContact CG-O 3.26Å; Y129-H643 HydrophobicContact CE2-CB 4.2Å; Y129-H643 VanDerWaalsContact OH-CA 3.26Å; Y129-H643 WeakPolarHBondContact OH-CA 3.39Å; Y129-H643 WeakPolarHBondContact OH-CB 3.47Å; Y129-H643 PolarHBondContact OH-CD2 2.99Å; Y129-H643 PolarHBondContact OH-N 3.45Å; Y129-H646 AromaticContact CE2-CE1 3.93Å
130T83.7Confident73.7Confident3 Ų362.4 Ų62.42%0.01832%0.32CS..PPolyproline II helixtrans-98.1139.2167.6-54.90000109.1G198 R304 V359 L638T130-G198 CarbonylContact C-O 3.58Å; T130-G198 WeakPolarHBondContact CA-O 3.5Å; T130-R304 PolarHBondContact OG1-NH2 3.44Å; T130-V359 HydrophobicContact CG2-CG1 4.44Å; T130-L638 PolarHBondContact N-O 3.23Å
131F88.1Confident76.2Confident1 Ų161.3 Ų61.30%0.00431%0.314CS..PPolyproline II helixtrans-53.2141.6173.8-178.7-89.4000111.4I98 L133 L182 L197 G198 G201 V359 H646 I650I98-F131 HydrophobicContact CD1-CE1 4.28Å; I98-F131 HydrophobicContact CD1-CZ 3.88Å; F131-L133 HydrophobicContact CE1-CD2 4.2Å; F131-L133 HydrophobicContact CE1-CG 4.34Å; F131-L182 HydrophobicContact CD1-CD1 4.13Å; F131-L182 HydrophobicContact CE1-CD1 4.37Å; F131-L197 WeakPolarHBondContact CB-O 3.47Å; F131-G198 PolarHBondContact N-O 3.42Å; F131-G201 VanDerWaalsContact CD2-CA 3.45Å; F131-V359 HydrophobicContact CB-CG1 4.33Å; F131-V359 HydrophobicContact CD1-CG1 4.2Å; F131-V359 WeakPolarHBondContact O-CB 3.39Å; F131-V359 WeakPolarHBondContact O-CG1 3.27Å; F131-H646 AromaticContact CD2-CE1 3.66Å; F131-H646 AromaticContact CD2-ND1 3.89Å; F131-H646 AromaticContact CD2-NE2 3.74Å; F131-I650 HydrophobicContact CE2-CD1 4.08Å; F131-I650 HydrophobicContact CE2-CG1 4.42Å; F131-I650 HydrophobicContact CZ-CD1 3.84Å; F131-I650 HydrophobicContact CZ-CG1 4.04Å
132Q89.3Confident78.8Confident13 Ų1358.2 Ų58.26%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-123.1132.6171.9-77.6-163.7-37.900111.5S360 E362 T639 R642Q132-S360 WeakPolarHBondContact CA-O 3.25Å; Q132-S360 PolarHBondContact NE2-OG 3.13Å; Q132-E362 HydrophobicContact CB-CG 4.27Å; Q132-T639 VanDerWaalsContact CD-CB 3.47Å; Q132-T639 HydrophobicContact CG-CG2 4.04Å; Q132-T639 PolarHBondContact NE2-OG1 3.21Å; Q132-R642 PolarHBondContact O-NH2 3.44Å
133L89Confident81.5Confident0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-65.6144.9167.3-73.4163.6000110.1F131 L151 I152 L180 L182 V359 S360 M361 E362F131-L133 HydrophobicContact CE1-CD2 4.2Å; F131-L133 HydrophobicContact CE1-CG 4.34Å; L133-L151 HydrophobicContact CD2-CD1 3.83Å; L133-I152 HydrophobicContact CD1-CD1 3.55Å; L133-L180 HydrophobicContact CD1-CB 4.46Å; L133-L180 HydrophobicContact CD1-CD1 3.93Å; L133-L182 HydrophobicContact CD1-CD2 3.96Å; L133-L182 HydrophobicContact CD2-CD2 4.01Å; L133-L182 HydrophobicContact CG-CD2 4.17Å; L133-V359 HydrophobicContact CD1-CG2 3.72Å; L133-V359 HydrophobicContact CG-CG2 3.9Å; L133-S360 PolarHBondContact N-O 3.5Å; L133-M361 HydrophobicContact CB-CG 4.41Å; L133-E362 PolarHBondContact O-N 3.44Å
134P88.5Confident83.6Confident19 Ų1950 Ų5012%0.12326%0.258CS..  trans-61160.9170.431.5-38000110.9L136 M361 E362 I650 L654P134-L136 HydrophobicContact CG-CD2 3.97Å; P134-L136 PolarHBondContact O-N 2.69Å; P134-M361 WeakPolarHBondContact O-CG 3.48Å; P134-E362 WeakPolarHBondContact CA-OE2 3.26Å; P134-I650 HydrophobicContact CB-CG2 4.07Å; P134-I650 HydrophobicContact CG-CG2 3.67Å; P134-L654 HydrophobicContact CG-CD1 4.22Å
135D88.3Confident85.3Confident24 Ų2450 Ų5013%0.12826%0.263CS..  trans-65.494.2175.2-175.6-8.8000110.6S137 V138 E362D135-S137 PolarHBondContact O-N 3.34Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.26Å; D135-S137 PolarHBondContact OD1-N 2.71Å; D135-S137 PolarHBondContact OD1-OG 3Å; D135-V138 HydrophobicContact CB-CG1 4.29Å; D135-V138 WeakPolarHBondContact O-CG2 3.43Å; D135-V138 PolarHBondContact O-N 3.16Å; D135-E362 HydrophobicContact CB-CB 4.35Å; D135-E362 WeakPolarHBondContact CB-O 3.42Å
136L88.9Confident86.8Confident1 Ų142.3 Ų42.31%0.00523%0.226CC..G310 helixtrans-73-1.3179.5-58.7-177.2000113.2P134 V138 Y139 R144 I147 E148 M361 L654P134-L136 HydrophobicContact CG-CD2 3.97Å; P134-L136 PolarHBondContact O-N 2.69Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-Y139 HydrophobicContact CD2-CD2 4.34Å; L136-Y139 HydrophobicContact CD2-CE2 4.31Å; L136-R144 VanDerWaalsContact C-NH1 3.32Å; L136-R144 HydrophobicContact CB-CG 4.25Å; L136-R144 PolarHBondContact O-NH1 3.47Å; L136-I147 HydrophobicContact CD1-CG2 3.77Å; L136-I147 HydrophobicContact CD2-CD1 4.26Å; L136-I147 HydrophobicContact CD2-CG2 3.99Å; L136-E148 HydrophobicContact CD1-CG 4.21Å; L136-M361 HydrophobicContact CB-CE 3.88Å; L136-M361 HydrophobicContact CB-SD 3.92Å; L136-M361 HydrophobicContact CD1-CE 3.91Å; L136-M361 HydrophobicContact CG-CE 3.93Å; L136-M361 HydrophobicContact CG-SD 4.27Å; L136-M361 PolarHBondContact N-SD 3.12Å; L136-L654 HydrophobicContact CD2-CD2 4.48Å
137S87.5Confident87.7Confident76 Ų7641.8 Ų41.853%0.53122%0.224SC..G310 helixtrans-79.1-9.317577.20000113.5D135 Y139D135-S137 PolarHBondContact O-N 3.34Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.26Å; D135-S137 PolarHBondContact OD1-N 2.71Å; D135-S137 PolarHBondContact OD1-OG 3Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.12Å
138V90.4Very high88.7Confident77 Ų7743.3 Ų43.347%0.46723%0.23SC..G310 helixtrans-78.4-10176.7-48.60000113.8D135 L136D135-V138 HydrophobicContact CB-CG1 4.29Å; D135-V138 WeakPolarHBondContact O-CG2 3.43Å; D135-V138 PolarHBondContact O-N 3.16Å; L136-V138 VanDerWaalsContact C-N 3.27Å
139Y90.8Very high89.3Confident84 Ų8445.2 Ų45.233%0.32923%0.233SC..SBendtrans-100.5162.6-178.1-61.7-67.3000112L136 S137 F143 I147 L654L136-Y139 HydrophobicContact CD2-CD2 4.34Å; L136-Y139 HydrophobicContact CD2-CE2 4.31Å; S137-Y139 VanDerWaalsContact C-N 3.27Å; S137-Y139 PolarHBondContact O-N 3.12Å; Y139-F143 AromaticContact CD1-CD1 3.81Å; Y139-F143 HydrophobicContact CD1-CD1 3.81Å; Y139-F143 AromaticContact CD1-CE1 3.9Å; Y139-F143 HydrophobicContact CD1-CE1 3.9Å; Y139-F143 HydrophobicContact CE1-CE1 4.23Å; Y139-F143 AromaticContact CG-CD1 3.96Å; Y139-F143 HydrophobicContact CG-CD1 3.96Å; Y139-F143 HydrophobicContact CG-CE1 4.25Å; Y139-I147 HydrophobicContact CD2-CD1 4.47Å; Y139-L654 HydrophobicContact CE2-CD2 4.21Å
140S93.8Very high89.7Confident69 Ų6944.2 Ų44.248%0.48323%0.23SC..  trans-64.1149.3172.357.30000111.4D142 F143 R144S140-D142 VanDerWaalsContact C-N 3.3Å; S140-D142 PolarHBondContact O-N 2.94Å; S140-F143 PolarHBondContact O-N 2.95Å; S140-R144 WeakPolarHBondContact O-CB 3.46Å; S140-R144 PolarHBondContact O-N 2.96Å
141E93.3Very high90Very high164 Ų16444.7 Ų44.777%0.76623%0.232SC*.Hα-helixtrans-57-39.7-175.6-171.1168.6-159.400112.9F143 S145E141-F143 PolarHBondContact O-N 3.48Å; E141-S145 VanDerWaalsContact O-CB 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.96Å; E141-S145 PolarHBondContact O-OG 3.43Å
142D93.3Very high90.3Very high108 Ų10844.9 Ų44.958%0.57823%0.233SC*.Hα-helixtrans-60-43.5173.6-69.1-57.2000113S140 F146 F661S140-D142 VanDerWaalsContact C-N 3.3Å; S140-D142 PolarHBondContact O-N 2.94Å; D142-F146 PolarHBondContact O-N 3.27Å; D142-F661 HydrophobicContact CB-CE2 3.89Å; D142-F661 HydrophobicContact CB-CZ 3.65Å; D142-F661 WeakPolarHBondContact O-CE2 3.48Å
143F92.6Very high90.5Very high3 Ų344.7 Ų44.71%0.01323%0.232CC..Hα-helixtrans-79.7-36.3-176.9-177.4-133.7000111.6Y139 S140 E141 S145 F146 I147 A657 Q658 F661Y139-F143 AromaticContact CD1-CD1 3.81Å; Y139-F143 HydrophobicContact CD1-CD1 3.81Å; Y139-F143 AromaticContact CD1-CE1 3.9Å; Y139-F143 HydrophobicContact CD1-CE1 3.9Å; Y139-F143 HydrophobicContact CE1-CE1 4.23Å; Y139-F143 AromaticContact CG-CD1 3.96Å; Y139-F143 HydrophobicContact CG-CD1 3.96Å; Y139-F143 HydrophobicContact CG-CE1 4.25Å; S140-F143 PolarHBondContact O-N 2.95Å; E141-F143 PolarHBondContact O-N 3.48Å; F143-S145 VanDerWaalsContact C-N 3.34Å; F143-F146 HydrophobicContact CD2-CB 4.36Å; F143-F146 HydrophobicContact CD2-CD1 4.22Å; F143-F146 HydrophobicContact CE2-CD1 4.11Å; F143-F146 WeakPolarHBondContact O-CB 3.38Å; F143-F146 PolarHBondContact O-N 3.22Å; F143-F146 VanDerWaalsContact O-N 3.17Å; F143-I147 HydrophobicContact CD1-CD1 4.11Å; F143-I147 HydrophobicContact CD2-CD1 4.4Å; F143-I147 HydrophobicContact CD2-CG1 4.42Å; F143-I147 HydrophobicContact CE1-CD1 3.72Å; F143-I147 HydrophobicContact CE2-CD1 4.02Å; F143-I147 HydrophobicContact CE2-CG1 4.02Å; F143-I147 HydrophobicContact CG-CD1 4.44Å; F143-I147 HydrophobicContact CZ-CD1 3.66Å; F143-I147 HydrophobicContact CZ-CG1 4.12Å; F143-I147 WeakPolarHBondContact O-CG1 3.19Å; F143-I147 PolarHBondContact O-N 3.32Å; F143-A657 HydrophobicContact CE2-CB 4.01Å; F143-A657 HydrophobicContact CZ-CB 4.05Å; F143-Q658 HydrophobicContact CE1-CB 4.41Å; F143-Q658 VanDerWaalsContact CE1-OE1 3.32Å; F143-Q658 HydrophobicContact CE2-CB 4.37Å; F143-Q658 HydrophobicContact CZ-CB 3.82Å; F143-F661 HydrophobicContact CB-CD1 4.28Å; F143-F661 HydrophobicContact CB-CD2 4.47Å; F143-F661 HydrophobicContact CB-CE1 4.04Å; F143-F661 HydrophobicContact CB-CE2 4.24Å; F143-F661 HydrophobicContact CB-CG 4.48Å; F143-F661 HydrophobicContact CB-CZ 4.01Å; F143-F661 HydrophobicContact CD2-CB 3.67Å; F143-F661 AromaticContact CD2-CD1 3.86Å; F143-F661 HydrophobicContact CD2-CD1 3.86Å; F143-F661 AromaticContact CD2-CD2 3.97Å; F143-F661 HydrophobicContact CD2-CD2 3.97Å; F143-F661 HydrophobicContact CD2-CE1 4.47Å; F143-F661 AromaticContact CD2-CG 3.56Å; F143-F661 HydrophobicContact CD2-CG 3.56Å; F143-F661 HydrophobicContact CE2-CB 3.85Å; F143-F661 HydrophobicContact CE2-CG 4.25Å; F143-F661 HydrophobicContact CG-CD1 4.29Å; F143-F661 HydrophobicContact CG-CG 4.37Å
144R92.3Very high90.7Very high63 Ų6348 Ų4824%0.23825%0.248CC..Hα-helixtrans-55.9-50.5167179.9-175.1174.4113.95.7110.4L136 S140 F146 I147 E148L136-R144 VanDerWaalsContact C-NH1 3.32Å; L136-R144 HydrophobicContact CB-CG 4.25Å; L136-R144 PolarHBondContact O-NH1 3.47Å; S140-R144 WeakPolarHBondContact O-CB 3.46Å; S140-R144 PolarHBondContact O-N 2.96Å; R144-F146 PolarHBondContact O-N 3.33Å; R144-I147 PolarHBondContact O-N 2.79Å; R144-I147 VanDerWaalsContact O-N 3.08Å; R144-E148 HydrophobicContact CG-CG 4.3Å; R144-E148 IonicContact CZ-OE1 2.67Å; R144-E148 VanDerWaalsContact NE-CD 3.35Å; R144-E148 IonicContact NE-OE1 3.34Å; R144-E148 PolarHBondContact NE-OE1 3.26Å; R144-E148 IonicContact NE-OE2 2.65Å; R144-E148 PolarHBondContact NE-OE2 3.39Å; R144-E148 IonicContact NH2-OE1 2.76Å; R144-E148 PolarHBondContact NH2-OE1 3.47Å; R144-E148 WeakPolarHBondContact O-CB 3.34Å; R144-E148 WeakPolarHBondContact O-CG 3.41Å; R144-E148 PolarHBondContact O-N 3.04Å
145S91Very high90.9Very high53 Ų5350 Ų5037%0.37126%0.262SS..Hα-helixtrans-64.6-23.5178.2-58.90000113.2E141 F143 R149E141-S145 VanDerWaalsContact O-CB 3.23Å; E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.96Å; E141-S145 PolarHBondContact O-OG 3.43Å; F143-S145 VanDerWaalsContact C-N 3.34Å; S145-R149 WeakPolarHBondContact O-CB 3.44Å; S145-R149 VanDerWaalsContact O-CG 3.25Å; S145-R149 WeakPolarHBondContact O-CG 3.4Å; S145-R149 PolarHBondContact O-N 2.83Å; S145-R149 PolarHBondContact O-NE 3.21Å; S145-R149 VanDerWaalsContact O-NE 3.14Å
146F90.2Very high91.2Very high4 Ų449 Ų492%0.01826%0.257CS..Hα-helixtrans-73.2-47.4169.3177.7-83.4000111.6D142 F143 R144 E148 R149 D150 A657 R660 F661 E664D142-F146 PolarHBondContact O-N 3.27Å; F143-F146 HydrophobicContact CD2-CB 4.36Å; F143-F146 HydrophobicContact CD2-CD1 4.22Å; F143-F146 HydrophobicContact CE2-CD1 4.11Å; F143-F146 WeakPolarHBondContact O-CB 3.38Å; F143-F146 PolarHBondContact O-N 3.22Å; F143-F146 VanDerWaalsContact O-N 3.17Å; R144-F146 PolarHBondContact O-N 3.33Å; F146-E148 PolarHBondContact O-N 2.87Å; F146-R149 PolarHBondContact O-N 3.36Å; F146-D150 PolarHBondContact O-N 3.47Å; F146-D150 VanDerWaalsContact O-N 3.12Å; F146-A657 HydrophobicContact CE1-CB 4.15Å; F146-A657 WeakPolarHBondContact CE1-O 3.13Å; F146-R660 HydrophobicContact CE1-CB 4.37Å; F146-R660 HydrophobicContact CZ-CB 3.72Å; F146-F661 HydrophobicContact CB-CD2 3.67Å; F146-F661 HydrophobicContact CB-CE2 4.25Å; F146-F661 HydrophobicContact CD1-CB 4.04Å; F146-F661 HydrophobicContact CD2-CB 4.14Å; F146-F661 AromaticContact CD2-CD2 3.84Å; F146-F661 HydrophobicContact CD2-CD2 3.84Å; F146-F661 HydrophobicContact CE1-CB 4.13Å; F146-F661 HydrophobicContact CE2-CB 4.23Å; F146-F661 HydrophobicContact CG-CB 4.06Å; F146-F661 AromaticContact CG-CD2 3.77Å; F146-F661 HydrophobicContact CG-CD2 3.77Å; F146-F661 HydrophobicContact CG-CG 4.37Å; F146-F661 HydrophobicContact CZ-CB 4.23Å; F146-E664 WeakPolarHBondContact CD2-OE2 3.34Å; F146-E664 HydrophobicContact CE2-CB 4.49Å; F146-E664 WeakPolarHBondContact CE2-OE2 3.16Å
147I90.9Very high91.5Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-63.5-40.9176.6-67.3164.6000111.4L136 Y139 F143 R144 R149 D150 L151 Y653 L654 A657L136-I147 HydrophobicContact CD1-CG2 3.77Å; L136-I147 HydrophobicContact CD2-CD1 4.26Å; L136-I147 HydrophobicContact CD2-CG2 3.99Å; Y139-I147 HydrophobicContact CD2-CD1 4.47Å; F143-I147 HydrophobicContact CD1-CD1 4.11Å; F143-I147 HydrophobicContact CD2-CD1 4.4Å; F143-I147 HydrophobicContact CD2-CG1 4.42Å; F143-I147 HydrophobicContact CE1-CD1 3.72Å; F143-I147 HydrophobicContact CE2-CD1 4.02Å; F143-I147 HydrophobicContact CE2-CG1 4.02Å; F143-I147 HydrophobicContact CG-CD1 4.44Å; F143-I147 HydrophobicContact CZ-CD1 3.66Å; F143-I147 HydrophobicContact CZ-CG1 4.12Å; F143-I147 WeakPolarHBondContact O-CG1 3.19Å; F143-I147 PolarHBondContact O-N 3.32Å; R144-I147 PolarHBondContact O-N 2.79Å; R144-I147 VanDerWaalsContact O-N 3.08Å; I147-R149 PolarHBondContact O-N 2.74Å; I147-D150 WeakPolarHBondContact O-CB 3.46Å; I147-D150 PolarHBondContact O-N 2.88Å; I147-D150 VanDerWaalsContact O-N 3.12Å; I147-L151 HydrophobicContact CG2-CD1 3.72Å; I147-L151 HydrophobicContact CG2-CG 4.12Å; I147-L151 PolarHBondContact O-N 2.77Å; I147-Y653 HydrophobicContact CG1-CE1 4.43Å; I147-Y653 HydrophobicContact CG2-CE1 4.02Å; I147-L654 HydrophobicContact CD1-CD2 3.69Å; I147-A657 HydrophobicContact CG1-CB 4.3Å
148E90.8Very high91.9Very high43 Ų4351.9 Ų51.920%0.20126%0.263CS..Hα-helixtrans-68.8-32.4179.8-72.6177.7144.800112.2L136 R144 F146 I152 Q154L136-E148 HydrophobicContact CD1-CG 4.21Å; R144-E148 HydrophobicContact CG-CG 4.3Å; R144-E148 IonicContact CZ-OE1 2.67Å; R144-E148 VanDerWaalsContact NE-CD 3.35Å; R144-E148 IonicContact NE-OE1 3.34Å; R144-E148 PolarHBondContact NE-OE1 3.26Å; R144-E148 IonicContact NE-OE2 2.65Å; R144-E148 PolarHBondContact NE-OE2 3.39Å; R144-E148 IonicContact NH2-OE1 2.76Å; R144-E148 PolarHBondContact NH2-OE1 3.47Å; R144-E148 WeakPolarHBondContact O-CB 3.34Å; R144-E148 WeakPolarHBondContact O-CG 3.41Å; R144-E148 PolarHBondContact O-N 3.04Å; F146-E148 PolarHBondContact O-N 2.87Å; E148-I152 HydrophobicContact CB-CG1 4.35Å; E148-I152 HydrophobicContact CG-CG1 4.27Å; E148-I152 WeakPolarHBondContact O-CB 3.39Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-I152 VanDerWaalsContact O-N 3.16Å; E148-Q154 PolarHBondContact O-NE2 3.24Å
149R86.8Confident92.1Very high110 Ų11049.9 Ų49.942%0.41526%0.255SS..Hα-helixtrans-65.9-35.2168-79.3-177.4-64.3133.7-14.6112.7R93 S145 F146 I147 E664R93-R149 VanDerWaalsContact CZ-O 3.26Å; R93-R149 PolarHBondContact NE-O 2.69Å; R93-R149 PolarHBondContact NH2-O 2.69Å; S145-R149 WeakPolarHBondContact O-CB 3.44Å; S145-R149 VanDerWaalsContact O-CG 3.25Å; S145-R149 WeakPolarHBondContact O-CG 3.4Å; S145-R149 PolarHBondContact O-N 2.83Å; S145-R149 PolarHBondContact O-NE 3.21Å; S145-R149 VanDerWaalsContact O-NE 3.14Å; F146-R149 PolarHBondContact O-N 3.36Å; I147-R149 PolarHBondContact O-N 2.74Å; R149-E664 IonicContact CZ-OE2 2.73Å; R149-E664 IonicContact NH1-OE2 2.64Å; R149-E664 PolarHBondContact NH1-OE2 3.31Å; R149-E664 IonicContact NH2-OE1 2.71Å; R149-E664 PolarHBondContact NH2-OE1 3.49Å; R149-E664 IonicContact NH2-OE2 3.81Å; R149-E664 PolarHBondContact NH2-OE2 3.12Å
150D85.1Confident92.3Very high14 Ų1446 Ų468%0.07524%0.24CC..Hα-helixtrans-74-51.4177.7-101.49.5000111.7R93 F146 I147 Y653 R660R93-D150 VanDerWaalsContact CG-O 3.26Å; R93-D150 WeakPolarHBondContact CG-O 3.45Å; R93-D150 PolarHBondContact NE-O 2.88Å; F146-D150 PolarHBondContact O-N 3.47Å; F146-D150 VanDerWaalsContact O-N 3.12Å; I147-D150 WeakPolarHBondContact O-CB 3.46Å; I147-D150 PolarHBondContact O-N 2.88Å; I147-D150 VanDerWaalsContact O-N 3.12Å; D150-Y653 VanDerWaalsContact CB-OH 3.24Å; D150-Y653 WeakPolarHBondContact CB-OH 3.42Å; D150-Y653 PolarHBondContact OD2-OH 3Å; D150-R660 IonicContact OD1-NH1 3.47Å; D150-R660 IonicContact OD2-CZ 3.66Å; D150-R660 IonicContact OD2-NH1 2.82Å; D150-R660 PolarHBondContact OD2-NH1 3.37Å; D150-R660 IonicContact OD2-NH2 3.61Å; D150-R660 PolarHBondContact OD2-NH2 2.64Å
151L90Very high92.5Very high13 Ų1345.5 Ų45.57%0.06823%0.23CC..Hα-helixtrans-93.8-30.8-165.7-64.5-174.8000115.8I98 L133 I147 L182 A183 Y653I98-L151 HydrophobicContact CD1-CD1 4.24Å; I98-L151 HydrophobicContact CD1-CD2 4.24Å; I98-L151 HydrophobicContact CG1-CD2 3.92Å; L133-L151 HydrophobicContact CD2-CD1 3.83Å; I147-L151 HydrophobicContact CG2-CD1 3.72Å; I147-L151 HydrophobicContact CG2-CG 4.12Å; I147-L151 PolarHBondContact O-N 2.77Å; L151-L182 WeakPolarHBondContact O-CA 3.17Å; L151-A183 PolarHBondContact O-N 3.4Å; L151-Y653 HydrophobicContact CD1-CD1 4.27Å; L151-Y653 HydrophobicContact CD1-CE1 3.68Å; L151-Y653 HydrophobicContact CD2-CD2 4.3Å; L151-Y653 HydrophobicContact CD2-CE1 4.09Å; L151-Y653 HydrophobicContact CD2-CE2 3.73Å; L151-Y653 HydrophobicContact CG-CE1 3.98Å; L151-Y653 HydrophobicContact CG-CE2 4.35Å
152I93.3Very high92.5Very high5 Ų545.4 Ų45.43%0.02623%0.229CC..BIsolated β-bridgetrans-110.1121.9-160.1-50.4-57.1000111.2R93 L133 E148 Q154 M157 L180 P181 L182R93-I152 PolarHBondContact NH2-O 2.97Å; L133-I152 HydrophobicContact CD1-CD1 3.55Å; E148-I152 HydrophobicContact CB-CG1 4.35Å; E148-I152 HydrophobicContact CG-CG1 4.27Å; E148-I152 WeakPolarHBondContact O-CB 3.39Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-I152 VanDerWaalsContact O-N 3.16Å; I152-Q154 WeakPolarHBondContact O-CG 3.26Å; I152-Q154 PolarHBondContact O-N 3.26Å; I152-M157 HydrophobicContact CG2-CE 3.34Å; I152-L180 HydrophobicContact CD1-CB 4.21Å; I152-L180 HydrophobicContact CD1-CD1 4.47Å; I152-L180 HydrophobicContact CG2-CB 4.2Å; I152-P181 CarbonylContact C-O 3.57Å; I152-P181 VanDerWaalsContact CA-O 3.31Å; I152-P181 WeakPolarHBondContact CA-O 3.46Å; I152-L182 HydrophobicContact CD1-CD2 4.06Å
153E94.2Very high92.5Very high8 Ų842.1 Ų42.14%0.03722%0.218CC..  trans-73.893.4-171.8-15855.1-86.400111.8R93 S155 T156 M157 P181 A183R93-E153 IonicContact CZ-OE1 3.04Å; R93-E153 IonicContact CZ-OE2 2.65Å; R93-E153 IonicContact NH1-OE1 2.65Å; R93-E153 PolarHBondContact NH1-OE1 3.08Å; R93-E153 IonicContact NH1-OE2 3.9Å; R93-E153 PolarHBondContact NH1-OE2 3.26Å; R93-E153 IonicContact NH2-OE1 3.08Å; E153-S155 PolarHBondContact O-N 3.38Å; E153-T156 PolarHBondContact O-N 3.03Å; E153-M157 WeakPolarHBondContact O-CB 3.32Å; E153-M157 PolarHBondContact O-N 2.96Å; E153-P181 HydrophobicContact CB-CB 4.25Å; E153-P181 HydrophobicContact CB-CG 4.29Å; E153-P181 PolarHBondContact N-O 3.02Å; E153-P181 WeakPolarHBondContact O-CG 3.35Å; E153-A183 HydrophobicContact CB-CB 4.38Å; E153-A183 VanDerWaalsContact OE2-CB 3.25Å; E153-A183 WeakPolarHBondContact OE2-CB 3.1Å
154Q92.6Very high92.6Very high71 Ų7143.1 Ų43.133%0.33223%0.229SC..Hα-helixtrans-71.7-34.7-164.2-57.5-162.81.900112.2E148 I152 M157 M158E148-Q154 PolarHBondContact O-NE2 3.24Å; I152-Q154 WeakPolarHBondContact O-CG 3.26Å; I152-Q154 PolarHBondContact O-N 3.26Å; Q154-M157 PolarHBondContact O-N 3.43Å; Q154-M158 HydrophobicContact CB-CE 4.36Å; Q154-M158 VanDerWaalsContact O-CB 3.31Å; Q154-M158 WeakPolarHBondContact O-CB 3.45Å; Q154-M158 WeakPolarHBondContact O-CG 3.13Å; Q154-M158 PolarHBondContact O-N 3.16Å
155S92.8Very high92.8Very high59 Ų5942.3 Ų42.341%0.41323%0.225SC..Hα-helixtrans-59-57.2173.347.10000110.9E153 M157 M158 A159E153-S155 PolarHBondContact O-N 3.38Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 3.32Å; S155-M158 PolarHBondContact O-N 3.08Å; S155-A159 VanDerWaalsContact O-CB 3.31Å; S155-A159 WeakPolarHBondContact O-CB 3.49Å; S155-A159 PolarHBondContact O-N 3.24Å
156T94.5Very high93.1Very high4 Ų439.9 Ų39.93%0.02521%0.209CC..Hα-helixtrans-59.2-40.5177.3-570000112.4E153 L160 P181 A349 D351E153-T156 PolarHBondContact O-N 3.03Å; T156-L160 HydrophobicContact CG2-CD1 3.79Å; T156-L160 HydrophobicContact CG2-CG 4.45Å; T156-L160 WeakPolarHBondContact O-CB 3.36Å; T156-L160 VanDerWaalsContact O-CG 3.29Å; T156-L160 WeakPolarHBondContact O-CG 3.43Å; T156-L160 PolarHBondContact O-N 3.31Å; T156-P181 HydrophobicContact CG2-CB 4.34Å; T156-A349 HydrophobicContact CG2-CB 3.82Å; T156-D351 HydrophobicContact CG2-CB 3.87Å
157M95.6Very high93.4Very high37 Ų3739.9 Ų39.918%0.18221%0.208CC..Hα-helixtrans-62.4-53.4174.9-176.3-169.4-68.600111.2I152 E153 Q154 S155 A159 L160 E161 L166 L180 P181I152-M157 HydrophobicContact CG2-CE 3.34Å; E153-M157 WeakPolarHBondContact O-CB 3.32Å; E153-M157 PolarHBondContact O-N 2.96Å; Q154-M157 PolarHBondContact O-N 3.43Å; S155-M157 VanDerWaalsContact C-N 3.34Å; S155-M157 PolarHBondContact O-N 3.32Å; M157-A159 PolarHBondContact O-N 3.47Å; M157-L160 PolarHBondContact O-N 2.89Å; M157-E161 HydrophobicContact CG-CG 4.2Å; M157-E161 WeakPolarHBondContact O-CB 3.45Å; M157-E161 WeakPolarHBondContact O-CG 3.45Å; M157-E161 PolarHBondContact O-N 2.83Å; M157-L166 HydrophobicContact CG-CD2 4.4Å; M157-L180 HydrophobicContact CE-CB 4.33Å; M157-L180 HydrophobicContact CE-CD2 3.53Å; M157-P181 HydrophobicContact CB-CG 3.83Å
158M94.9Very high93.6Very high101 Ų10140.9 Ų40.950%0.49821%0.212SC..Hα-helixtrans-63-43.9-176.2-72-180-167.200111.1Q154 S155 Q162Q154-M158 HydrophobicContact CB-CE 4.36Å; Q154-M158 VanDerWaalsContact O-CB 3.31Å; Q154-M158 WeakPolarHBondContact O-CB 3.45Å; Q154-M158 WeakPolarHBondContact O-CG 3.13Å; Q154-M158 PolarHBondContact O-N 3.16Å; S155-M158 PolarHBondContact O-N 3.08Å; M158-Q162 WeakPolarHBondContact O-CB 3.25Å; M158-Q162 WeakPolarHBondContact O-CG 3.17Å; M158-Q162 PolarHBondContact O-N 3.21Å
159A94.8Very high93.8Very high35 Ų3539 Ų3929%0.28920%0.203SC..Hα-helixtrans-59.5-50176.800000111.8S155 M157 A163S155-A159 VanDerWaalsContact O-CB 3.31Å; S155-A159 WeakPolarHBondContact O-CB 3.49Å; S155-A159 PolarHBondContact O-N 3.24Å; M157-A159 PolarHBondContact O-N 3.47Å; A159-A163 WeakPolarHBondContact O-CB 3.35Å; A159-A163 PolarHBondContact O-N 3.03Å
160L96.7Very high94Very high2 Ų234.8 Ų34.81%0.0119%0.191CC..Hα-helixtrans-76.9-30.1-176.2-62.9177.2000113.7T156 M157 G164 R165 L166 V309 A349T156-L160 HydrophobicContact CG2-CD1 3.79Å; T156-L160 HydrophobicContact CG2-CG 4.45Å; T156-L160 WeakPolarHBondContact O-CB 3.36Å; T156-L160 VanDerWaalsContact O-CG 3.29Å; T156-L160 WeakPolarHBondContact O-CG 3.43Å; T156-L160 PolarHBondContact O-N 3.31Å; M157-L160 PolarHBondContact O-N 2.89Å; L160-G164 PolarHBondContact O-N 3.08Å; L160-R165 HydrophobicContact CB-CB 4.4Å; L160-R165 HydrophobicContact CD2-CB 4.25Å; L160-R165 WeakPolarHBondContact O-CA 3.5Å; L160-R165 PolarHBondContact O-N 3.32Å; L160-L166 HydrophobicContact CB-CB 3.66Å; L160-L166 HydrophobicContact CB-CD2 4.28Å; L160-L166 PolarHBondContact O-N 3.06Å; L160-V309 HydrophobicContact CD1-CG1 4.46Å; L160-A349 HydrophobicContact CD1-CB 3.76Å
161E96.3Very high94.1Very high59 Ų5939.1 Ų39.128%0.27622%0.218SC..Hα-helixtrans-70.1-43.5170.3-71.1-157.8161.800111M157 G164 L166 N167 K178M157-E161 HydrophobicContact CG-CG 4.2Å; M157-E161 WeakPolarHBondContact O-CB 3.45Å; M157-E161 WeakPolarHBondContact O-CG 3.45Å; M157-E161 PolarHBondContact O-N 2.83Å; E161-G164 PolarHBondContact O-N 2.82Å; E161-G164 VanDerWaalsContact O-N 3.08Å; E161-L166 HydrophobicContact CG-CB 4.21Å; E161-L166 HydrophobicContact CG-CD2 4.3Å; E161-L166 HydrophobicContact CG-CG 4.19Å; E161-N167 HydrophobicContact CG-CB 4.34Å; E161-N167 VanDerWaalsContact OE1-CB 3.27Å; E161-N167 WeakPolarHBondContact OE1-CB 3.22Å; E161-N167 PolarHBondContact OE1-ND2 3.4Å; E161-K178 VanDerWaalsContact CD-NZ 3.27Å; E161-K178 IonicContact OE1-NZ 2.69Å; E161-K178 PolarHBondContact OE1-NZ 3.04Å; E161-K178 IonicContact OE2-NZ 4Å; E161-K178 PolarHBondContact OE2-NZ 3.09Å
162Q94.4Very high94Very high161 Ų16140.8 Ų40.875%0.75223%0.226SC*.Hα-helixtrans-67.8-35178.3-70.2172.731.300112.9M158 G164M158-Q162 WeakPolarHBondContact O-CB 3.25Å; M158-Q162 WeakPolarHBondContact O-CG 3.17Å; M158-Q162 PolarHBondContact O-N 3.21Å; Q162-G164 PolarHBondContact O-N 2.84Å
163A93.2Very high93.7Very high40 Ų4040.7 Ų40.733%0.33123%0.226SC..THydrogen-bonded Turntrans-73.60.6172.100000113.7A159 R165 D311A159-A163 WeakPolarHBondContact O-CB 3.35Å; A159-A163 PolarHBondContact O-N 3.03Å; A163-R165 VanDerWaalsContact C-N 3.26Å; A163-R165 HydrophobicContact CB-CG 3.91Å; A163-R165 PolarHBondContact O-N 3.17Å; A163-D311 HydrophobicContact CB-CB 4.37Å
164G94.8Very high93.2Very high24 Ų2445.8 Ų45.825%0.24726%0.258CS..THydrogen-bonded Turntrans69.918.2-179.700000114.4L160 E161 Q162L160-G164 PolarHBondContact O-N 3.08Å; E161-G164 PolarHBondContact O-N 2.82Å; E161-G164 VanDerWaalsContact O-N 3.08Å; Q162-G164 PolarHBondContact O-N 2.84Å
165R96.6Very high92.8Very high45 Ų4544.6 Ų44.617%0.1726%0.257CS..  trans-93.2-40.2-175.1-55.9-59.3-178.5-159.73.1112.8L160 A163 V309 A310 D311 T312 E379L160-R165 HydrophobicContact CB-CB 4.4Å; L160-R165 HydrophobicContact CD2-CB 4.25Å; L160-R165 WeakPolarHBondContact O-CA 3.5Å; L160-R165 PolarHBondContact O-N 3.32Å; A163-R165 VanDerWaalsContact C-N 3.26Å; A163-R165 HydrophobicContact CB-CG 3.91Å; A163-R165 PolarHBondContact O-N 3.17Å; R165-V309 HydrophobicContact CB-CG1 4.07Å; R165-V309 WeakPolarHBondContact O-CG1 3.15Å; R165-A310 WeakPolarHBondContact CD-O 3.45Å; R165-A310 WeakPolarHBondContact CG-O 3.5Å; R165-D311 HydrophobicContact CG-CB 4.32Å; R165-D311 IonicContact CZ-OD1 3.26Å; R165-D311 VanDerWaalsContact CZ-OD1 3.24Å; R165-D311 IonicContact NE-OD1 2.98Å; R165-D311 PolarHBondContact NE-OD1 2.86Å; R165-D311 IonicContact NH2-OD1 2.7Å; R165-D311 PolarHBondContact NH2-OD1 3.1Å; R165-T312 PolarHBondContact NH2-OG1 3.47Å; R165-T312 VanDerWaalsContact NH2-OG1 3.1Å; R165-E379 IonicContact NH1-OE2 3.25Å
166L97.5Very high92.7Very high3 Ų341.8 Ų41.82%0.01624%0.238CC..SBendtrans-103143.5-179.518059.5000110.9M157 L160 E161 W168 W169 L179 V309 L358M157-L166 HydrophobicContact CG-CD2 4.4Å; L160-L166 HydrophobicContact CB-CB 3.66Å; L160-L166 HydrophobicContact CB-CD2 4.28Å; L160-L166 PolarHBondContact O-N 3.06Å; E161-L166 HydrophobicContact CG-CB 4.21Å; E161-L166 HydrophobicContact CG-CD2 4.3Å; E161-L166 HydrophobicContact CG-CG 4.19Å; L166-W168 PolarHBondContact O-N 3.25Å; L166-W169 HydrophobicContact CD1-CH2 3.88Å; L166-W169 HydrophobicContact CD1-CZ2 4.31Å; L166-L179 HydrophobicContact CD1-CB 4.37Å; L166-V309 HydrophobicContact CB-CG1 4.33Å; L166-L358 HydrophobicContact CD1-CD1 3.89Å; L166-L358 HydrophobicContact CD1-CD2 3.77Å; L166-L358 HydrophobicContact CD2-CD2 4.09Å
167N96.6Very high92.5Very high3 Ų342.1 Ų42.12%0.01624%0.239CC..SBendtrans57.62.7170.3-66.8-28.1000118.4E161 W169 S170 K178 L179E161-N167 HydrophobicContact CG-CB 4.34Å; E161-N167 VanDerWaalsContact OE1-CB 3.27Å; E161-N167 WeakPolarHBondContact OE1-CB 3.22Å; E161-N167 PolarHBondContact OE1-ND2 3.4Å; N167-W169 VanDerWaalsContact N-CH2 3.27Å; N167-W169 VanDerWaalsContact N-CZ3 3.28Å; N167-W169 PolarHBondContact O-N 3.3Å; N167-S170 WeakPolarHBondContact O-CB 3.17Å; N167-S170 PolarHBondContact O-N 2.94Å; N167-K178 HydrophobicContact CB-CD 4.39Å; N167-K178 HydrophobicContact CB-CG 4.17Å; N167-K178 WeakPolarHBondContact OD1-CA 3.4Å; N167-L179 PolarHBondContact ND2-O 2.88Å; N167-L179 PolarHBondContact OD1-N 2.87Å; N167-L179 PolarHBondContact OD1-O 3.01Å
168W95.4Very high92.4Very high21 Ų2144.6 Ų44.68%0.0825%0.248CC..Hα-helixtrans-55-26.217565.4-100.7000113.6L166 T171 M172 P374 D377 I632L166-W168 PolarHBondContact O-N 3.25Å; W168-T171 PolarHBondContact O-OG1 3.32Å; W168-M172 HydrophobicContact CE3-CE 3.7Å; W168-M172 HydrophobicContact CE3-SD 3.75Å; W168-M172 HydrophobicContact CZ3-CE 4.08Å; W168-M172 HydrophobicContact CZ3-SD 3.75Å; W168-M172 WeakPolarHBondContact O-CG 3.29Å; W168-M172 PolarHBondContact O-N 3.45Å; W168-P374 HydrophobicContact CH2-CB 4.1Å; W168-P374 HydrophobicContact CH2-CG 4.19Å; W168-P374 HydrophobicContact CZ2-CB 3.68Å; W168-P374 HydrophobicContact CZ2-CG 3.84Å; W168-D377 WeakPolarHBondContact CZ2-O 3.37Å; W168-I632 HydrophobicContact CH2-CG2 4.14Å; W168-I632 HydrophobicContact CZ3-CD1 4.24Å; W168-I632 HydrophobicContact CZ3-CG1 4.47Å
169W93.6Very high92.5Very high3 Ų339.8 Ų39.81%0.01123%0.225CC..Hα-helixtrans-71.3-29.6176.154.686.8000113.4L166 N167 M172 C173 K177 L179 I373 P374 I632L166-W169 HydrophobicContact CD1-CH2 3.88Å; L166-W169 HydrophobicContact CD1-CZ2 4.31Å; N167-W169 VanDerWaalsContact N-CH2 3.27Å; N167-W169 VanDerWaalsContact N-CZ3 3.28Å; N167-W169 PolarHBondContact O-N 3.3Å; W169-M172 PolarHBondContact O-N 3.1Å; W169-C173 PolarHBondContact O-N 2.87Å; W169-K177 PolarHBondContact NE1-O 3.39Å; W169-L179 HydrophobicContact CZ2-CD1 3.98Å; W169-L179 HydrophobicContact CZ2-CG 4.14Å; W169-I373 HydrophobicContact CH2-CD1 3.68Å; W169-I373 HydrophobicContact CZ2-CD1 4.06Å; W169-I373 HydrophobicContact CZ3-CD1 4.36Å; W169-P374 HydrophobicContact CB-CG 3.71Å; W169-P374 VanDerWaalsContact CD2-CD 3.49Å; W169-P374 HydrophobicContact CD2-CG 3.58Å; W169-P374 HydrophobicContact CE3-CG 3.48Å; W169-P374 VanDerWaalsContact CE3-CG 3.48Å; W169-P374 HydrophobicContact CG-CG 3.72Å; W169-P374 HydrophobicContact CZ3-CG 4.2Å; W169-I632 HydrophobicContact CB-CD1 3.81Å
170S91.2Very high92.5Very high22 Ų2239 Ų3915%0.15422%0.215CC..Hα-helixtrans-75.1-31.3-179.1-169.30000111.4N167 C173 C176N167-S170 WeakPolarHBondContact O-CB 3.17Å; N167-S170 PolarHBondContact O-N 2.94Å; S170-C173 CarbonylContact O-C 3.57Å; S170-C176 WeakPolarHBondContact CB-O 3.13Å; S170-C176 PolarHBondContact OG-O 3.2Å
171T88.2Confident92.5Very high105 Ų10538.9 Ų38.964%0.64422%0.215SC*.Hα-helixtrans-75-30.8171.961.50000112.7W168W168-T171 PolarHBondContact O-OG1 3.32Å
172M87.5Confident92.4Very high49 Ų4936.4 Ų36.424%0.24120%0.203CC..Hα-helixtrans-76.2-29.2173.2-67.6-172.8-169.900113.5W168 W169 I432 T436W168-M172 HydrophobicContact CE3-CE 3.7Å; W168-M172 HydrophobicContact CE3-SD 3.75Å; W168-M172 HydrophobicContact CZ3-CE 4.08Å; W168-M172 HydrophobicContact CZ3-SD 3.75Å; W168-M172 WeakPolarHBondContact O-CG 3.29Å; W168-M172 PolarHBondContact O-N 3.45Å; W169-M172 PolarHBondContact O-N 3.1Å; M172-I432 HydrophobicContact SD-CD1 4.28Å; M172-T436 WeakPolarHBondContact O-CB 3.38Å; M172-T436 PolarHBondContact O-OG1 3.15Å
173C85.5Confident92.3Very high3 Ų329.2 Ų29.22%0.0217%0.171CC..  trans-146109.4-173.9-166.70000111.8W169 S170 S175 C176W169-C173 PolarHBondContact O-N 2.87Å; S170-C173 CarbonylContact O-C 3.57Å; C173-S175 PolarHBondContact O-N 2.83Å; C173-S175 VanDerWaalsContact O-N 3.11Å; C173-S175 PolarHBondContact SG-OG 3.11Å; C173-C176 WeakPolarHBondContact O-CB 3.43Å; C173-C176 PolarHBondContact O-N 3Å; C173-C176 VanDerWaalsContact O-N 3.1Å
174T84.8Confident92.1Very high115 Ų11527.3 Ų27.371%0.70616%0.156SC*.THydrogen-bonded Turntrans-70.9-2-176.453.90000115C176T174-C176 VanDerWaalsContact C-N 3.34Å
175S85.1Confident91.5Very high45 Ų4526.6 Ų26.632%0.31515%0.147SC..THydrogen-bonded Turntrans-92.49.3169.565.40000113.1C173 E369 Q370C173-S175 PolarHBondContact O-N 2.83Å; C173-S175 VanDerWaalsContact O-N 3.11Å; C173-S175 PolarHBondContact SG-OG 3.11Å; S175-E369 CarbonylContact O-C 3.51Å; S175-E369 WeakPolarHBondContact O-CA 3.49Å; S175-Q370 PolarHBondContact O-N 3.1Å
176C90.3Very high90.8Very high1 Ų127.7 Ų27.71%0.00717%0.172CC..BIsolated β-bridgetrans-113.4119.9179.1-59.40000110.7S170 C173 T174 V372 I430S170-C176 WeakPolarHBondContact CB-O 3.13Å; S170-C176 PolarHBondContact OG-O 3.2Å; C173-C176 WeakPolarHBondContact O-CB 3.43Å; C173-C176 PolarHBondContact O-N 3Å; C173-C176 VanDerWaalsContact O-N 3.1Å; T174-C176 VanDerWaalsContact C-N 3.34Å; C176-V372 HydrophobicContact CB-CG2 3.95Å; C176-I430 VanDerWaalsContact SG-CD1 3.58Å
177K90.6Very high90.3Very high11 Ų1128.5 Ų28.55%0.04818%0.176CC..  trans-61.3145.4176.7-63.7-172.4-179.4-114.80111.5W169 M361 E369 Q370 A371W169-K177 PolarHBondContact NE1-O 3.39Å; K177-M361 PolarHBondContact NZ-O 2.95Å; K177-E369 VanDerWaalsContact CE-O 3.29Å; K177-E369 WeakPolarHBondContact CE-O 3.23Å; K177-E369 HydrophobicContact CG-CB 3.75Å; K177-Q370 PolarHBondContact N-O 3.42Å; K177-Q370 VanDerWaalsContact N-O 3.09Å; K177-A371 HydrophobicContact CD-CB 4.27Å
178K93.1Very high90Very high88 Ų8828.9 Ų28.938%0.38318%0.18SC..  trans-66.2146.2159.8-79.8-158.3168.2-152.60110.5E161 N167E161-K178 VanDerWaalsContact CD-NZ 3.27Å; E161-K178 IonicContact OE1-NZ 2.69Å; E161-K178 PolarHBondContact OE1-NZ 3.04Å; E161-K178 IonicContact OE2-NZ 4Å; E161-K178 PolarHBondContact OE2-NZ 3.09Å; N167-K178 HydrophobicContact CB-CD 4.39Å; N167-K178 HydrophobicContact CB-CG 4.17Å; N167-K178 WeakPolarHBondContact OD1-CA 3.4Å
179L95.8Very high90Very high0 Ų027.9 Ų27.90%018%0.177CC..EExtended strand (participates in β ladder)trans-104.8144.9166.5-55.6-177.6000109.8L166 N167 W169 V347 L358 V359 I373 L637L166-L179 HydrophobicContact CD1-CB 4.37Å; N167-L179 PolarHBondContact ND2-O 2.88Å; N167-L179 PolarHBondContact OD1-N 2.87Å; N167-L179 PolarHBondContact OD1-O 3.01Å; W169-L179 HydrophobicContact CZ2-CD1 3.98Å; W169-L179 HydrophobicContact CZ2-CG 4.14Å; L179-V347 HydrophobicContact CD1-CG1 4.24Å; L179-L358 HydrophobicContact CB-CB 4.23Å; L179-L358 HydrophobicContact CB-CD2 4.19Å; L179-L358 HydrophobicContact CD1-CB 4.34Å; L179-V359 CarbonylContact C-O 3.51Å; L179-V359 WeakPolarHBondContact CA-O 3.44Å; L179-I373 HydrophobicContact CD1-CD1 4.02Å; L179-L637 HydrophobicContact CD1-CD1 4.22Å; L179-L637 HydrophobicContact CD2-CD1 3.93Å
180L95.8Very high90.1Very high18 Ų1828.2 Ų28.29%0.09418%0.18CC..EExtended strand (participates in β ladder)trans-124.8129.5-173.8-51.2174.5000108.7L133 I152 M157 L182 A357 V359 M361L133-L180 HydrophobicContact CD1-CB 4.46Å; L133-L180 HydrophobicContact CD1-CD1 3.93Å; I152-L180 HydrophobicContact CD1-CB 4.21Å; I152-L180 HydrophobicContact CD1-CD1 4.47Å; I152-L180 HydrophobicContact CG2-CB 4.2Å; M157-L180 HydrophobicContact CE-CB 4.33Å; M157-L180 HydrophobicContact CE-CD2 3.53Å; L180-L182 PolarHBondContact O-N 2.94Å; L180-A357 VanDerWaalsContact O-O 3.14Å; L180-V359 PolarHBondContact N-O 3.23Å; L180-V359 PolarHBondContact O-N 2.73Å; L180-M361 HydrophobicContact CD1-CE 3.66Å
181P96.7Very high90.4Very high0 Ų027.3 Ų27.30%017%0.173CC..EExtended strand (participates in β ladder)trans-74.7123.5176.628.6-32.2000110.2I152 E153 T156 M157 A349 A357 L358I152-P181 CarbonylContact C-O 3.57Å; I152-P181 VanDerWaalsContact CA-O 3.31Å; I152-P181 WeakPolarHBondContact CA-O 3.46Å; E153-P181 HydrophobicContact CB-CB 4.25Å; E153-P181 HydrophobicContact CB-CG 4.29Å; E153-P181 PolarHBondContact N-O 3.02Å; E153-P181 WeakPolarHBondContact O-CG 3.35Å; T156-P181 HydrophobicContact CG2-CB 4.34Å; M157-P181 HydrophobicContact CB-CG 3.83Å; P181-A349 HydrophobicContact CB-CB 4.46Å; P181-A357 CarbonylContact C-O 3.57Å; P181-A357 WeakPolarHBondContact CA-O 3.48Å; P181-L358 HydrophobicContact CB-CD2 4.08Å
182L94.5Very high90.8Very high7 Ų722.3 Ų22.34%0.03714%0.142CC..EExtended strand (participates in β ladder)trans-78.3131.4169.1-61.5-177.5000110.3F131 L133 L151 I152 L180 T184 L197 S356 A357 V359F131-L182 HydrophobicContact CD1-CD1 4.13Å; F131-L182 HydrophobicContact CE1-CD1 4.37Å; L133-L182 HydrophobicContact CD1-CD2 3.96Å; L133-L182 HydrophobicContact CD2-CD2 4.01Å; L133-L182 HydrophobicContact CG-CD2 4.17Å; L151-L182 WeakPolarHBondContact O-CA 3.17Å; I152-L182 HydrophobicContact CD1-CD2 4.06Å; L180-L182 PolarHBondContact O-N 2.94Å; L182-T184 WeakPolarHBondContact O-CG2 3.3Å; L182-L197 HydrophobicContact CD1-CB 4.38Å; L182-S356 VanDerWaalsContact O-CB 3.29Å; L182-S356 WeakPolarHBondContact O-CB 3.33Å; L182-S356 PolarHBondContact O-OG 3.45Å; L182-A357 HydrophobicContact CB-CB 4.21Å; L182-A357 HydrophobicContact CD1-CB 4.33Å; L182-A357 HydrophobicContact CG-CB 4.44Å; L182-A357 PolarHBondContact N-O 3.3Å; L182-V359 HydrophobicContact CD1-CG1 3.89Å; L182-V359 HydrophobicContact CD1-CG2 4.01Å; L182-V359 HydrophobicContact CD2-CG2 3.72Å; L182-V359 HydrophobicContact CG-CG1 4.21Å; L182-V359 HydrophobicContact CG-CG2 3.68Å
183A91.6Very high91.1Very high10 Ų1020.1 Ų20.18%0.08313%0.131CC..PPolyproline II helixtrans-61.3140.3175.400000112.1L94 L151 E153L94-A183 HydrophobicContact CD2-CB 4.37Å; L151-A183 PolarHBondContact O-N 3.4Å; E153-A183 HydrophobicContact CB-CB 4.38Å; E153-A183 VanDerWaalsContact OE2-CB 3.25Å; E153-A183 WeakPolarHBondContact OE2-CB 3.1Å
184T88.6Confident91.7Very high0 Ų020 Ų200%013%0.13CC..  trans-134.7159.518088.30000111.9L94 L182 C190 A194 L197 H203 H354 F355L94-T184 WeakPolarHBondContact CD2-O 3Å; L182-T184 WeakPolarHBondContact O-CG2 3.3Å; T184-C190 WeakPolarHBondContact OG1-CB 3.41Å; T184-A194 HydrophobicContact CG2-CB 4.09Å; T184-L197 HydrophobicContact CG2-CD1 3.64Å; T184-H203 WeakPolarHBondContact CA-NE2 3.39Å; T184-H354 PolarHBondContact O-NE2 2.99Å; T184-H354 PolarHBondContact OG1-CE1 3.4Å; T184-H354 PolarHBondContact OG1-NE2 3.12Å; T184-F355 VanDerWaalsContact CG2-O 3.26Å; T184-F355 WeakPolarHBondContact CG2-O 3.48Å; T184-F355 PolarHBondContact OG1-O 3.42Å
185T82.9Confident92.2Very high10 Ų1014.5 Ų14.56%0.06110%0.097CC..  trans-67141.6178.444.60000113L94 D187 C190 H193 H203L94-T185 HydrophobicContact CB-CG2 3.99Å; L94-T185 HydrophobicContact CD1-CG2 3.94Å; L94-T185 HydrophobicContact CD2-CG2 4.18Å; L94-T185 HydrophobicContact CG-CG2 4.26Å; T185-D187 VanDerWaalsContact C-N 3.26Å; T185-D187 WeakPolarHBondContact CB-OD2 3.38Å; T185-D187 PolarHBondContact O-N 2.88Å; T185-D187 PolarHBondContact OG1-OD2 3.2Å; T185-C190 WeakPolarHBondContact O-CB 3.49Å; T185-H193 PolarHBondContact OG1-CD2 3.23Å; T185-H193 PolarHBondContact OG1-NE2 3.47Å; T185-H203 PolarHBondContact N-NE2 3.23Å; T185-H203 PolarHBondContact OG1-CD2 2.94Å
186G82.2Confident92.5Very high67 Ų6712.3 Ų12.369%0.6918%0.082SC*.  trans-87.821.9178.700000114.2G188G186-G188 PolarHBondContact O-N 3.48Å; G186-G188 VanDerWaalsContact O-N 3.13Å
187D87.5Confident92.6Very high21 Ų2112.7 Ų12.711%0.1128%0.083CC..SBendtrans-74.19.3-177.25233.5000114.3T185 N189 H193 Y287T185-D187 VanDerWaalsContact C-N 3.26Å; T185-D187 WeakPolarHBondContact CB-OD2 3.38Å; T185-D187 PolarHBondContact O-N 2.88Å; T185-D187 PolarHBondContact OG1-OD2 3.2Å; D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 2.85Å; D187-N189 WeakPolarHBondContact OD1-CA 3.49Å; D187-N189 VanDerWaalsContact OD1-CB 3.28Å; D187-N189 WeakPolarHBondContact OD1-CB 3.4Å; D187-N189 PolarHBondContact OD1-N 2.88Å; D187-H193 IonicContact OD1-CD2 2.74Å; D187-H193 PolarHBondContact OD1-CD2 3.35Å; D187-H193 IonicContact OD1-NE2 3.67Å; D187-H193 PolarHBondContact OD1-NE2 3.19Å; D187-H193 IonicContact OD2-CD2 3.16Å; D187-H193 IonicContact OD2-NE2 3.86Å; D187-H193 PolarHBondContact OD2-NE2 3.43Å; D187-H193 VanDerWaalsContact OD2-NE2 3.12Å; D187-Y287 PolarHBondContact O-N 3.42Å
188G89.2Confident92.7Very high10 Ų1012.2 Ų12.210%0.1038%0.082CC..SBendtrans88.1-21.5-173.200000114.2G186 C190G186-G188 PolarHBondContact O-N 3.48Å; G186-G188 VanDerWaalsContact O-N 3.13Å; G188-C190 VanDerWaalsContact C-N 3.31Å; G188-C190 PolarHBondContact O-N 2.84Å
189N94.6Very high92.5Very high0 Ų08 Ų80%06%0.063CC..  trans-9112.5-178.7-168.541.4000113.4D187 L191 L192 H193 D204 R210 Y287D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 2.85Å; D187-N189 WeakPolarHBondContact OD1-CA 3.49Å; D187-N189 VanDerWaalsContact OD1-CB 3.28Å; D187-N189 WeakPolarHBondContact OD1-CB 3.4Å; D187-N189 PolarHBondContact OD1-N 2.88Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 2.9Å; N189-L191 VanDerWaalsContact O-N 3.12Å; N189-L192 PolarHBondContact O-N 2.86Å; N189-L192 WeakPolarHBondContact OD1-CB 3.28Å; N189-L192 WeakPolarHBondContact OD1-CD1 3.29Å; N189-H193 PolarHBondContact ND2-CE1 3.01Å; N189-H193 PolarHBondContact ND2-ND1 2.78Å; N189-H193 PolarHBondContact ND2-NE2 2.87Å; N189-H193 VanDerWaalsContact ND2-NE2 3.2Å; N189-H193 PolarHBondContact O-CD2 2.97Å; N189-H193 PolarHBondContact O-N 3.08Å; N189-D204 PolarHBondContact ND2-O 2.87Å; N189-R210 WeakPolarHBondContact OD1-CD 3.39Å; N189-Y287 HydrophobicContact CB-CD2 3.88Å
190C95.8Very high92.1Very high11 Ų118.3 Ų8.37%0.0747%0.065CC..Hα-helixtrans-49.8-39.2-17561.50000114.6T184 T185 G188 L192 H193 A194 F355T184-C190 WeakPolarHBondContact OG1-CB 3.41Å; T185-C190 WeakPolarHBondContact O-CB 3.49Å; G188-C190 VanDerWaalsContact C-N 3.31Å; G188-C190 PolarHBondContact O-N 2.84Å; C190-L192 VanDerWaalsContact C-N 3.32Å; C190-L192 PolarHBondContact O-N 2.91Å; C190-H193 PolarHBondContact O-N 3.37Å; C190-A194 VanDerWaalsContact O-CB 3.27Å; C190-A194 WeakPolarHBondContact O-CB 3.41Å; C190-A194 PolarHBondContact O-N 3.27Å; C190-F355 HydrophobicContact CB-CB 4.36Å
191L97.6Very high91.7Very high2 Ų27.5 Ų7.51%0.016%0.061CC..Hα-helixtrans-56.1-45176.5173.759000112.3N189 A195 L290 H294 V295 L298 L348 F355N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 2.9Å; N189-L191 VanDerWaalsContact O-N 3.12Å; L191-A195 WeakPolarHBondContact O-CB 3.16Å; L191-A195 PolarHBondContact O-N 3.4Å; L191-L290 HydrophobicContact CB-CD1 4.46Å; L191-L290 HydrophobicContact CD2-CB 3.88Å; L191-L290 HydrophobicContact CD2-CD1 4Å; L191-H294 HydrophobicContact CD2-CB 4.41Å; L191-V295 HydrophobicContact CD1-CG2 3.98Å; L191-V295 HydrophobicContact CD2-CG2 3.81Å; L191-L298 HydrophobicContact CD1-CD2 4.18Å; L191-L298 HydrophobicContact CG-CD2 4.12Å; L191-L348 HydrophobicContact CD1-CD1 3.75Å; L191-F355 HydrophobicContact CB-CB 4.49Å; L191-F355 HydrophobicContact CB-CD2 3.7Å; L191-F355 HydrophobicContact CB-CE2 4.01Å; L191-F355 HydrophobicContact CB-CG 4.12Å; L191-F355 HydrophobicContact CD1-CD1 3.9Å; L191-F355 HydrophobicContact CD1-CD2 4.17Å; L191-F355 HydrophobicContact CD1-CE1 3.84Å; L191-F355 HydrophobicContact CD1-CE2 4.11Å; L191-F355 HydrophobicContact CD1-CG 4.04Å; L191-F355 HydrophobicContact CD1-CZ 3.93Å; L191-F355 HydrophobicContact CG-CD2 4.46Å; L191-F355 HydrophobicContact CG-CE2 4.44Å
192L96.8Very high91.3Very high0 Ų07.5 Ų7.50%06%0.061CC..Hα-helixtrans-86-28.9-174.3-53.4-177000111.1N189 C190 S196 D204 L209 R210 L213 L290 L298N189-L192 PolarHBondContact O-N 2.86Å; N189-L192 WeakPolarHBondContact OD1-CB 3.28Å; N189-L192 WeakPolarHBondContact OD1-CD1 3.29Å; C190-L192 VanDerWaalsContact C-N 3.32Å; C190-L192 PolarHBondContact O-N 2.91Å; L192-S196 WeakPolarHBondContact O-CB 3.09Å; L192-S196 PolarHBondContact O-N 3.41Å; L192-D204 HydrophobicContact CB-CB 4.36Å; L192-L209 HydrophobicContact CB-CB 4.17Å; L192-L209 HydrophobicContact CB-CD1 4.47Å; L192-L209 HydrophobicContact CD1-CB 4.33Å; L192-L209 HydrophobicContact CD2-CB 4.24Å; L192-L209 HydrophobicContact CG-CB 4.49Å; L192-R210 HydrophobicContact CD1-CB 3.47Å; L192-R210 VanDerWaalsContact CD1-CB 3.47Å; L192-R210 HydrophobicContact CD1-CG 3.68Å; L192-L213 HydrophobicContact CD1-CD1 4.37Å; L192-L213 HydrophobicContact CD2-CD1 3.88Å; L192-L290 HydrophobicContact CD1-CD1 3.85Å; L192-L290 HydrophobicContact CD2-CD1 4.41Å; L192-L290 HydrophobicContact CG-CD1 3.95Å; L192-L298 HydrophobicContact CD2-CD1 3.72Å; L192-L298 HydrophobicContact CD2-CD2 3.62Å; L192-L298 HydrophobicContact CD2-CG 4.22Å
193H95Very high91.1Very high3 Ų37.4 Ų7.41%0.0146%0.06CC..Hα-helixtrans-60.7-46.5163.7-67-34.5000112.1T185 D187 N189 C190 S196 L197 H203 D204T185-H193 PolarHBondContact OG1-CD2 3.23Å; T185-H193 PolarHBondContact OG1-NE2 3.47Å; D187-H193 IonicContact OD1-CD2 2.74Å; D187-H193 PolarHBondContact OD1-CD2 3.35Å; D187-H193 IonicContact OD1-NE2 3.67Å; D187-H193 PolarHBondContact OD1-NE2 3.19Å; D187-H193 IonicContact OD2-CD2 3.16Å; D187-H193 IonicContact OD2-NE2 3.86Å; D187-H193 PolarHBondContact OD2-NE2 3.43Å; D187-H193 VanDerWaalsContact OD2-NE2 3.12Å; N189-H193 PolarHBondContact ND2-CE1 3.01Å; N189-H193 PolarHBondContact ND2-ND1 2.78Å; N189-H193 PolarHBondContact ND2-NE2 2.87Å; N189-H193 VanDerWaalsContact ND2-NE2 3.2Å; N189-H193 PolarHBondContact O-CD2 2.97Å; N189-H193 PolarHBondContact O-N 3.08Å; C190-H193 PolarHBondContact O-N 3.37Å; H193-S196 PolarHBondContact O-N 3.11Å; H193-L197 VanDerWaalsContact O-CB 3.3Å; H193-L197 WeakPolarHBondContact O-CB 3.42Å; H193-L197 WeakPolarHBondContact O-CD1 3.38Å; H193-L197 WeakPolarHBondContact O-CG 3.41Å; H193-L197 PolarHBondContact O-N 3.1Å; H193-H203 HydrophobicContact CB-CB 4.27Å; H193-H203 AromaticContact CG-CD2 3.67Å; H193-D204 PolarHBondContact CE1-O 2.93Å; H193-D204 VanDerWaalsContact CE1-O 3.23Å; H193-D204 PolarHBondContact ND1-N 3.4Å
194A96.6Very high91.1Very high0 Ų06.9 Ų6.90%06%0.056CC..Hα-helixtrans-63.2-43.8176.200000112.3T184 C190 L197 G198 L348 F355 A357T184-A194 HydrophobicContact CG2-CB 4.09Å; C190-A194 VanDerWaalsContact O-CB 3.27Å; C190-A194 WeakPolarHBondContact O-CB 3.41Å; C190-A194 PolarHBondContact O-N 3.27Å; A194-L197 PolarHBondContact O-N 3.19Å; A194-G198 PolarHBondContact O-N 3.32Å; A194-L348 HydrophobicContact CB-CD2 3.88Å; A194-F355 HydrophobicContact CB-CB 4.15Å; A194-A357 HydrophobicContact CB-CB 4.41Å; A194-A357 VanDerWaalsContact O-CB 3.26Å; A194-A357 WeakPolarHBondContact O-CB 3.48Å
195A95.7Very high91.1Very high0 Ų010.6 Ų10.60%07%0.07CC..Hα-helixtrans-63.9-43.6176.100000112.7L191 G198 M199 L209 L298 L346L191-A195 WeakPolarHBondContact O-CB 3.16Å; L191-A195 PolarHBondContact O-N 3.4Å; A195-G198 PolarHBondContact O-N 3.35Å; A195-M199 WeakPolarHBondContact O-CE 3.38Å; A195-M199 WeakPolarHBondContact O-CG 3.37Å; A195-M199 PolarHBondContact O-N 3.24Å; A195-L209 HydrophobicContact CB-CD1 4.06Å; A195-L298 HydrophobicContact CB-CD2 3.85Å; A195-L346 HydrophobicContact CB-CD2 3.72Å
196S92.9Very high91.3Very high0 Ų013.5 Ų13.50%09%0.085CC..Hα-helixtrans-65.6-39.9177.7-164.70000111.6L192 H193 M199 W200 F202 D204L192-S196 WeakPolarHBondContact O-CB 3.09Å; L192-S196 PolarHBondContact O-N 3.41Å; H193-S196 PolarHBondContact O-N 3.11Å; S196-M199 PolarHBondContact O-N 3.03Å; S196-W200 PolarHBondContact O-N 3.24Å; S196-W200 VanDerWaalsContact OG-CE3 3.26Å; S196-W200 WeakPolarHBondContact OG-CZ3 3.48Å; S196-F202 CarbonylContact C-O 3.58Å; S196-F202 WeakPolarHBondContact CB-O 3.33Å; S196-F202 PolarHBondContact OG-O 2.87Å; S196-D204 PolarHBondContact OG-N 3.15Å
197L91.4Very high91.8Very high8 Ų811 Ų114%0.0426%0.056CC..Hα-helixtrans-63.4-46.9173.6-78.4163.8000112.1F131 L182 T184 H193 A194 M199 G201 F202 A357F131-L197 WeakPolarHBondContact CB-O 3.47Å; L182-L197 HydrophobicContact CD1-CB 4.38Å; T184-L197 HydrophobicContact CG2-CD1 3.64Å; H193-L197 VanDerWaalsContact O-CB 3.3Å; H193-L197 WeakPolarHBondContact O-CB 3.42Å; H193-L197 WeakPolarHBondContact O-CD1 3.38Å; H193-L197 WeakPolarHBondContact O-CG 3.41Å; H193-L197 PolarHBondContact O-N 3.1Å; A194-L197 PolarHBondContact O-N 3.19Å; L197-M199 PolarHBondContact O-N 2.86Å; L197-G201 WeakPolarHBondContact O-CA 3.41Å; L197-G201 PolarHBondContact O-N 3.05Å; L197-F202 PolarHBondContact N-O 3.08Å; L197-A357 HydrophobicContact CB-CB 4.11Å
198G92.2Very high92Very high1 Ų111.1 Ų11.11%0.016%0.056CC..Hα-helixtrans-65-16.9-179.300000114.4T130 F131 A194 A195T130-G198 CarbonylContact C-O 3.58Å; T130-G198 WeakPolarHBondContact CA-O 3.5Å; F131-G198 PolarHBondContact N-O 3.42Å; A194-G198 PolarHBondContact O-N 3.32Å; A195-G198 PolarHBondContact O-N 3.35Å
199M90.3Very high92.2Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-104-54.3178.4-72.3-170.6-63.100113.2P127 A195 S196 L197 L209 L302 L346P127-M199 HydrophobicContact CG-CB 3.75Å; P127-M199 HydrophobicContact CG-CG 4.22Å; P127-M199 HydrophobicContact CG-SD 4.29Å; A195-M199 WeakPolarHBondContact O-CE 3.38Å; A195-M199 WeakPolarHBondContact O-CG 3.37Å; A195-M199 PolarHBondContact O-N 3.24Å; S196-M199 PolarHBondContact O-N 3.03Å; L197-M199 PolarHBondContact O-N 2.86Å; M199-L209 HydrophobicContact CE-CD1 4.27Å; M199-L302 HydrophobicContact CE-CD1 3.89Å; M199-L302 HydrophobicContact CE-CD2 3.52Å; M199-L302 HydrophobicContact CE-CG 4.35Å; M199-L302 HydrophobicContact SD-CD1 3.99Å; M199-L302 HydrophobicContact SD-CD2 3.92Å; M199-L302 HydrophobicContact SD-CG 4.48Å; M199-L346 HydrophobicContact CG-CD1 4.49Å
200W86.7Confident92.2Very high6 Ų611.1 Ų11.12%0.0235%0.053CC..Hα-helixtrans-1151.6-170.2-53-76.3000114.4V113 M126 S196 F202 L209 H646 M649V113-W200 HydrophobicContact CG1-CH2 3.9Å; V113-W200 HydrophobicContact CG1-CZ2 3.5Å; V113-W200 HydrophobicContact CG2-CD2 4.3Å; V113-W200 HydrophobicContact CG2-CG 4.35Å; V113-W200 HydrophobicContact CG2-CZ2 4.24Å; M126-W200 HydrophobicContact CE-CZ2 4.19Å; M126-W200 HydrophobicContact SD-CH2 4.29Å; M126-W200 HydrophobicContact SD-CZ2 3.89Å; S196-W200 PolarHBondContact O-N 3.24Å; S196-W200 VanDerWaalsContact OG-CE3 3.26Å; S196-W200 WeakPolarHBondContact OG-CZ3 3.48Å; W200-F202 HydrophobicContact CB-CD1 3.81Å; W200-F202 HydrophobicContact CB-CE1 3.39Å; W200-F202 HydrophobicContact CB-CE2 4.28Å; W200-F202 HydrophobicContact CB-CG 4.41Å; W200-F202 HydrophobicContact CB-CZ 3.67Å; W200-F202 HydrophobicContact CD2-CZ 4.25Å; W200-F202 HydrophobicContact CE3-CE2 4.25Å; W200-F202 HydrophobicContact CE3-CZ 4.38Å; W200-F202 HydrophobicContact CG-CE1 4.14Å; W200-F202 AromaticContact CG-CZ 3.99Å; W200-F202 HydrophobicContact CG-CZ 3.99Å; W200-F202 WeakPolarHBondContact O-CD1 3.36Å; W200-F202 PolarHBondContact O-N 3.44Å; W200-L209 HydrophobicContact CH2-CD2 4.06Å; W200-L209 HydrophobicContact CZ3-CD1 4.16Å; W200-L209 HydrophobicContact CZ3-CD2 4.34Å; W200-L209 HydrophobicContact CZ3-CG 4.33Å; W200-H646 WeakPolarHBondContact CA-NE2 3.48Å; W200-H646 PolarHBondContact O-CD2 3.35Å; W200-H646 PolarHBondContact O-NE2 2.9Å; W200-M649 WeakPolarHBondContact O-CE 3.32Å
201G87.5Confident92.2Very high1 Ų115.2 Ų15.21%0.017%0.07CC..SBendtrans72.69.4-17800000115.2F131 L197F131-G201 VanDerWaalsContact CD2-CA 3.45Å; L197-G201 WeakPolarHBondContact O-CA 3.41Å; L197-G201 PolarHBondContact O-N 3.05Å
202F87.1Confident92Very high0 Ų016.6 Ų16.60%08%0.08CC..SBendtrans-132.1152.8175.659.8-105.7000114.7S99 V106 A109 R110 V113 S196 L197 W200 M649S99-F202 VanDerWaalsContact OG-CA 3.27Å; S99-F202 WeakPolarHBondContact OG-CA 3.34Å; V106-F202 HydrophobicContact CG1-CB 4.17Å; V106-F202 HydrophobicContact CG1-CG 4.43Å; A109-F202 HydrophobicContact CB-CD1 4.17Å; A109-F202 HydrophobicContact CB-CE1 3.56Å; A109-F202 HydrophobicContact CB-CZ 4.35Å; R110-F202 HydrophobicContact CG-CD2 4.25Å; R110-F202 HydrophobicContact CG-CE2 3.82Å; R110-F202 HydrophobicContact CG-CZ 4.13Å; V113-F202 HydrophobicContact CG2-CZ 4.33Å; S196-F202 CarbonylContact C-O 3.58Å; S196-F202 WeakPolarHBondContact CB-O 3.33Å; S196-F202 PolarHBondContact OG-O 2.87Å; L197-F202 PolarHBondContact N-O 3.08Å; W200-F202 HydrophobicContact CB-CD1 3.81Å; W200-F202 HydrophobicContact CB-CE1 3.39Å; W200-F202 HydrophobicContact CB-CE2 4.28Å; W200-F202 HydrophobicContact CB-CG 4.41Å; W200-F202 HydrophobicContact CB-CZ 3.67Å; W200-F202 HydrophobicContact CD2-CZ 4.25Å; W200-F202 HydrophobicContact CE3-CE2 4.25Å; W200-F202 HydrophobicContact CE3-CZ 4.38Å; W200-F202 HydrophobicContact CG-CE1 4.14Å; W200-F202 AromaticContact CG-CZ 3.99Å; W200-F202 HydrophobicContact CG-CZ 3.99Å; W200-F202 WeakPolarHBondContact O-CD1 3.36Å; W200-F202 PolarHBondContact O-N 3.44Å; F202-M649 HydrophobicContact CD1-CE 4.43Å; F202-M649 HydrophobicContact CD1-SD 4.45Å
203H90.4Very high92Very high5 Ų516.7 Ų16.72%0.0238%0.08CC..  trans-66.7142.9174.6-73.267.7000112.2S99 R110 T184 T185 H193 R205S99-H203 PolarHBondContact OG-N 3.41Å; S99-H203 VanDerWaalsContact OG-N 3.08Å; S99-H203 PolarHBondContact OG-ND1 3.1Å; R110-H203 PolarHBondContact NH1-O 2.9Å; R110-H203 PolarHBondContact NH2-O 2.83Å; T184-H203 WeakPolarHBondContact CA-NE2 3.39Å; T185-H203 PolarHBondContact N-NE2 3.23Å; T185-H203 PolarHBondContact OG1-CD2 2.94Å; H193-H203 HydrophobicContact CB-CB 4.27Å; H193-H203 AromaticContact CG-CD2 3.67Å; H203-R205 HydrophobicContact CB-CG 4.19Å; H203-R205 PolarHBondContact O-N 3.44Å
204D91.5Very high92.1Very high0 Ų019 Ų190%09%0.089CC..  trans-67.660.6169.8-171.431.9000115.4N189 L192 H193 S196 D206 L207 M208 L209 R210N189-D204 PolarHBondContact ND2-O 2.87Å; L192-D204 HydrophobicContact CB-CB 4.36Å; H193-D204 PolarHBondContact CE1-O 2.93Å; H193-D204 VanDerWaalsContact CE1-O 3.23Å; H193-D204 PolarHBondContact ND1-N 3.4Å; S196-D204 PolarHBondContact OG-N 3.15Å; D204-D206 VanDerWaalsContact C-N 3.3Å; D204-D206 PolarHBondContact O-N 2.63Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 PolarHBondContact OD1-N 3.19Å; D204-L207 VanDerWaalsContact OD2-C 3.32Å; D204-L207 WeakPolarHBondContact OD2-CA 3.44Å; D204-M208 PolarHBondContact OD1-N 3.44Å; D204-M208 PolarHBondContact OD2-N 3.15Å; D204-L209 WeakPolarHBondContact OD2-CB 3.45Å; D204-L209 PolarHBondContact OD2-N 3.27Å; D204-R210 PolarHBondContact OD2-N 2.87Å
205R88.8Confident92.1Very high77 Ų7722.5 Ų22.529%0.29111%0.111SC..THydrogen-bonded Turntrans-69.8-20.8179.3-75.4-168.7159.1-113.6-15.8114.7H100 H203 L207 D284H100-R205 PolarHBondContact CE1-NH1 3.25Å; H100-R205 PolarHBondContact NE2-NE 3.41Å; H100-R205 PolarHBondContact NE2-NH2 2.77Å; H100-R205 VanDerWaalsContact NE2-NH2 3.2Å; H203-R205 HydrophobicContact CB-CG 4.19Å; H203-R205 PolarHBondContact O-N 3.44Å; R205-L207 VanDerWaalsContact C-N 3.26Å; R205-D284 IonicContact CZ-OD2 2.79Å; R205-D284 IonicContact NH1-OD1 3.59Å; R205-D284 IonicContact NH1-OD2 2.92Å; R205-D284 PolarHBondContact NH1-OD2 2.95Å; R205-D284 IonicContact NH2-OD2 2.82Å; R205-D284 PolarHBondContact NH2-OD2 2.98Å
206D88.6Confident92Very high71 Ų7123.9 Ų23.938%0.3812%0.118SC..THydrogen-bonded Turntrans-87.8-0.5177.9-633.5000111.9R110 D204 M208 K211R110-D206 WeakPolarHBondContact CB-OD2 3.5Å; R110-D206 VanDerWaalsContact CD-OD2 3.32Å; R110-D206 WeakPolarHBondContact CD-OD2 3.35Å; D204-D206 VanDerWaalsContact C-N 3.3Å; D204-D206 PolarHBondContact O-N 2.63Å; D206-M208 HydrophobicContact CB-CG 4.01Å; D206-M208 PolarHBondContact O-N 2.98Å; D206-K211 PolarHBondContact O-NZ 3.39Å
207L91.8Very high92.2Very high14 Ų1423.9 Ų23.97%0.07312%0.118CC..  trans57.631.1-175.9-50-178.9000113.5D204 R205 R210 K211 S263 Y287D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 PolarHBondContact OD1-N 3.19Å; D204-L207 VanDerWaalsContact OD2-C 3.32Å; D204-L207 WeakPolarHBondContact OD2-CA 3.44Å; R205-L207 VanDerWaalsContact C-N 3.26Å; L207-R210 HydrophobicContact CB-CB 4.13Å; L207-R210 PolarHBondContact O-N 2.83Å; L207-K211 HydrophobicContact CB-CD 4.37Å; L207-K211 HydrophobicContact CB-CG 4.48Å; L207-K211 VanDerWaalsContact O-CB 3.31Å; L207-K211 WeakPolarHBondContact O-CB 3.44Å; L207-K211 VanDerWaalsContact O-CD 3.27Å; L207-K211 WeakPolarHBondContact O-CD 3.33Å; L207-K211 WeakPolarHBondContact O-CG 3.24Å; L207-K211 PolarHBondContact O-N 3.09Å; L207-S263 WeakPolarHBondContact CD1-O 3.5Å; L207-Y287 HydrophobicContact CD1-CE1 3.9Å; L207-Y287 HydrophobicContact CD2-CE1 4.48Å; L207-Y287 HydrophobicContact CD2-CE2 3.88Å
208M90.8Very high92.4Very high25 Ų2528.7 Ų28.712%0.12314%0.138CC..Hα-helixtrans-65.6-45.2-178.2-69.4-171.3-69.600111.4R110 V113 A114 D204 D206 S212R110-M208 HydrophobicContact CB-CE 4.41Å; V113-M208 HydrophobicContact CB-CE 4.19Å; V113-M208 HydrophobicContact CG1-CE 3.88Å; V113-M208 HydrophobicContact CG1-SD 4.35Å; A114-M208 HydrophobicContact CB-SD 3.67Å; D204-M208 PolarHBondContact OD1-N 3.44Å; D204-M208 PolarHBondContact OD2-N 3.15Å; D206-M208 HydrophobicContact CB-CG 4.01Å; D206-M208 PolarHBondContact O-N 2.98Å; M208-S212 WeakPolarHBondContact O-CB 3.34Å; M208-S212 PolarHBondContact O-N 3.46Å; M208-S212 VanDerWaalsContact O-N 3.09Å; M208-S212 PolarHBondContact O-OG 2.91Å
209L93.8Very high92.5Very high8 Ų832.9 Ų32.94%0.04217%0.167CC..Hα-helixtrans-68.7-39.3175.1-65-179.7000110.2L192 A195 M199 W200 D204 S212 L213 L302L192-L209 HydrophobicContact CB-CB 4.17Å; L192-L209 HydrophobicContact CB-CD1 4.47Å; L192-L209 HydrophobicContact CD1-CB 4.33Å; L192-L209 HydrophobicContact CD2-CB 4.24Å; L192-L209 HydrophobicContact CG-CB 4.49Å; A195-L209 HydrophobicContact CB-CD1 4.06Å; M199-L209 HydrophobicContact CE-CD1 4.27Å; W200-L209 HydrophobicContact CH2-CD2 4.06Å; W200-L209 HydrophobicContact CZ3-CD1 4.16Å; W200-L209 HydrophobicContact CZ3-CD2 4.34Å; W200-L209 HydrophobicContact CZ3-CG 4.33Å; D204-L209 WeakPolarHBondContact OD2-CB 3.45Å; D204-L209 PolarHBondContact OD2-N 3.27Å; L209-S212 PolarHBondContact O-N 3.31Å; L209-L213 VanDerWaalsContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.4Å; L209-L213 PolarHBondContact O-N 2.97Å; L209-L302 HydrophobicContact CD2-CD2 3.77Å
210R95.8Very high92.6Very high1 Ų133.9 Ų33.90%0.00418%0.178CC..Hα-helixtrans-64.8-44.7-178.5-156166.3-175.1-111-17.1112N189 L192 D204 L207 L213 Y214 L260 S262 E264N189-R210 WeakPolarHBondContact OD1-CD 3.39Å; L192-R210 HydrophobicContact CD1-CB 3.47Å; L192-R210 VanDerWaalsContact CD1-CB 3.47Å; L192-R210 HydrophobicContact CD1-CG 3.68Å; D204-R210 PolarHBondContact OD2-N 2.87Å; L207-R210 HydrophobicContact CB-CB 4.13Å; L207-R210 PolarHBondContact O-N 2.83Å; R210-L213 PolarHBondContact O-N 2.99Å; R210-Y214 WeakPolarHBondContact O-CB 3.23Å; R210-Y214 PolarHBondContact O-N 3.47Å; R210-L260 PolarHBondContact NH2-O 2.77Å; R210-S262 PolarHBondContact NH1-O 3.41Å; R210-S262 PolarHBondContact NH2-O 2.81Å; R210-E264 PolarHBondContact NH1-O 3.21Å
211K94.6Very high92.9Very high97 Ų9738.5 Ų38.542%0.42222%0.217SC..Hα-helixtrans-62.2-43173.6-69.8160.2-173157.70111.6D206 L207 T215D206-K211 PolarHBondContact O-NZ 3.39Å; L207-K211 HydrophobicContact CB-CD 4.37Å; L207-K211 HydrophobicContact CB-CG 4.48Å; L207-K211 VanDerWaalsContact O-CB 3.31Å; L207-K211 WeakPolarHBondContact O-CB 3.44Å; L207-K211 VanDerWaalsContact O-CD 3.27Å; L207-K211 WeakPolarHBondContact O-CD 3.33Å; L207-K211 WeakPolarHBondContact O-CG 3.24Å; L207-K211 PolarHBondContact O-N 3.09Å; K211-T215 WeakPolarHBondContact O-CB 3.41Å; K211-T215 PolarHBondContact O-N 2.84Å; K211-T215 PolarHBondContact O-OG1 3.48Å
212S94.4Very high93.2Very high31 Ų3140.5 Ų40.522%0.21723%0.226CC..Hα-helixtrans-66.2-40.8179.3-58.80000112.7M208 L209 T215 M216M208-S212 WeakPolarHBondContact O-CB 3.34Å; M208-S212 PolarHBondContact O-N 3.46Å; M208-S212 VanDerWaalsContact O-N 3.09Å; M208-S212 PolarHBondContact O-OG 2.91Å; L209-S212 PolarHBondContact O-N 3.31Å; S212-T215 PolarHBondContact O-N 2.62Å; S212-M216 WeakPolarHBondContact O-CB 3.48Å; S212-M216 PolarHBondContact O-N 2.93Å
213L96.3Very high93.6Very high2 Ų243.6 Ų43.61%0.0124%0.238CC..Hα-helixtrans-63.7-49.6176.3-167.1163.7000111L192 L209 R210 T215 M216 M217 A261 H294 V297 L298 V301L192-L213 HydrophobicContact CD1-CD1 4.37Å; L192-L213 HydrophobicContact CD2-CD1 3.88Å; L209-L213 VanDerWaalsContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.4Å; L209-L213 PolarHBondContact O-N 2.97Å; R210-L213 PolarHBondContact O-N 2.99Å; L213-T215 PolarHBondContact O-N 3.22Å; L213-M216 PolarHBondContact O-N 3.43Å; L213-M217 HydrophobicContact CD2-SD 3.52Å; L213-M217 VanDerWaalsContact CD2-SD 3.52Å; L213-M217 PolarHBondContact O-N 3.4Å; L213-M217 VanDerWaalsContact O-N 3.08Å; L213-A261 HydrophobicContact CD2-CB 3.93Å; L213-H294 HydrophobicContact CD1-CB 4.26Å; L213-H294 HydrophobicContact CD2-CB 4.27Å; L213-V297 HydrophobicContact CD2-CB 4.43Å; L213-V297 HydrophobicContact CD2-CG1 4.11Å; L213-V297 HydrophobicContact CG-CB 4.32Å; L213-V297 HydrophobicContact CG-CG1 3.88Å; L213-L298 HydrophobicContact CD1-CB 4.09Å; L213-L298 HydrophobicContact CD1-CD1 4.43Å; L213-V301 HydrophobicContact CB-CG2 4.42Å
214Y96.9Very high94Very high51 Ų5147.5 Ų47.520%0.226%0.259CS..Hα-helixtrans-57.8-47.2174177.5-101.6000112.3R210 M216 M217 K218 L258 A261R210-Y214 WeakPolarHBondContact O-CB 3.23Å; R210-Y214 PolarHBondContact O-N 3.47Å; Y214-M216 VanDerWaalsContact C-N 3.34Å; Y214-M216 PolarHBondContact O-N 2.59Å; Y214-M217 PolarHBondContact O-N 3.36Å; Y214-K218 HydrophobicContact CD1-CD 4.43Å; Y214-K218 HydrophobicContact CE1-CD 3.57Å; Y214-K218 VanDerWaalsContact O-CB 3.29Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 PolarHBondContact O-N 3.12Å; Y214-K218 PolarHBondContact OH-NZ 2.93Å; Y214-L258 VanDerWaalsContact CD2-O 3.28Å; Y214-L258 WeakPolarHBondContact CD2-O 3.4Å; Y214-L258 WeakPolarHBondContact CE2-O 3.38Å; Y214-A261 HydrophobicContact CD2-CB 4.08Å
215T95.9Very high94.3Very high75 Ų7547.9 Ų47.946%0.4626%0.262SS..Hα-helixtrans-62.1-40.3178.8-63.50000112K211 S212 L213 K218 S219 G220K211-T215 WeakPolarHBondContact O-CB 3.41Å; K211-T215 PolarHBondContact O-N 2.84Å; K211-T215 PolarHBondContact O-OG1 3.48Å; S212-T215 PolarHBondContact O-N 2.62Å; L213-T215 PolarHBondContact O-N 3.22Å; T215-K218 PolarHBondContact O-N 3.02Å; T215-S219 CarbonylContact O-C 3.58Å; T215-S219 PolarHBondContact O-N 2.91Å; T215-S219 PolarHBondContact O-OG 3.24Å; T215-G220 PolarHBondContact O-N 3.37Å; T215-G220 VanDerWaalsContact O-N 3.16Å
216M95.1Very high94.8Very high29 Ų2944.3 Ų44.314%0.14325%0.249CC..Hα-helixtrans-61.9-43.8175.2-177.7171-77.100111.9S212 L213 Y214 G220 L226 V297 H300 V301S212-M216 WeakPolarHBondContact O-CB 3.48Å; S212-M216 PolarHBondContact O-N 2.93Å; L213-M216 PolarHBondContact O-N 3.43Å; Y214-M216 VanDerWaalsContact C-N 3.34Å; Y214-M216 PolarHBondContact O-N 2.59Å; M216-G220 WeakPolarHBondContact O-CA 3.24Å; M216-G220 PolarHBondContact O-N 3.01Å; M216-G220 VanDerWaalsContact O-N 3.08Å; M216-L226 HydrophobicContact CG-CD1 4Å; M216-L226 HydrophobicContact SD-CD1 4.14Å; M216-V297 HydrophobicContact CB-CG1 4.19Å; M216-V297 HydrophobicContact CG-CG1 4.09Å; M216-V297 HydrophobicContact SD-CG1 3.89Å; M216-H300 HydrophobicContact CE-CB 4.15Å; M216-H300 HydrophobicContact SD-CB 3.58Å; M216-H300 VanDerWaalsContact SD-CB 3.58Å; M216-V301 HydrophobicContact CB-CG2 4.29Å; M216-V301 HydrophobicContact CE-CG2 3.92Å; M216-V301 HydrophobicContact SD-CG2 3.78Å
217M97.1Very high95.2Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-71.8-28.5176.5-71.1170.261.900113.6L213 Y214 R223 L257 L258 A261 F293 V297L213-M217 HydrophobicContact CD2-SD 3.52Å; L213-M217 VanDerWaalsContact CD2-SD 3.52Å; L213-M217 PolarHBondContact O-N 3.4Å; L213-M217 VanDerWaalsContact O-N 3.08Å; Y214-M217 PolarHBondContact O-N 3.36Å; M217-R223 VanDerWaalsContact O-CD 3.22Å; M217-R223 WeakPolarHBondContact O-CD 3.45Å; M217-R223 WeakPolarHBondContact O-CG 3.43Å; M217-L257 HydrophobicContact CE-CB 3.9Å; M217-L258 HydrophobicContact CB-CD2 3.57Å; M217-A261 HydrophobicContact CE-CB 4.42Å; M217-A261 HydrophobicContact SD-CB 4.13Å; M217-F293 HydrophobicContact CE-CD1 4.29Å; M217-F293 HydrophobicContact CE-CE1 4.13Å; M217-V297 HydrophobicContact CG-CB 4.36Å; M217-V297 HydrophobicContact CG-CG1 3.84Å; M217-V297 HydrophobicContact CG-CG2 3.77Å; M217-V297 HydrophobicContact SD-CB 4.38Å; M217-V297 HydrophobicContact SD-CG1 4.25Å; M217-V297 HydrophobicContact SD-CG2 3.95Å
218K96.1Very high95.5Very high109 Ų10943.8 Ų43.847%0.47424%0.241SC..Hα-helixtrans-82.3-47-178.4-170170.4-169.9169.80112.3Y214 T215 R223 L258Y214-K218 HydrophobicContact CD1-CD 4.43Å; Y214-K218 HydrophobicContact CE1-CD 3.57Å; Y214-K218 VanDerWaalsContact O-CB 3.29Å; Y214-K218 WeakPolarHBondContact O-CB 3.29Å; Y214-K218 PolarHBondContact O-N 3.12Å; Y214-K218 PolarHBondContact OH-NZ 2.93Å; T215-K218 PolarHBondContact O-N 3.02Å; K218-R223 VanDerWaalsContact O-CD 3.29Å; K218-R223 WeakPolarHBondContact O-CD 3.39Å; K218-L258 HydrophobicContact CB-CD2 4.19Å
219S93.9Very high95.9Very high89 Ų8943.6 Ų43.662%0.62224%0.239SC*.Hα-helixtrans-151.119.5-167.457.30000114.5T215T215-S219 CarbonylContact O-C 3.58Å; T215-S219 PolarHBondContact O-N 2.91Å; T215-S219 PolarHBondContact O-OG 3.24Å
220G91.8Very high96.1Very high21 Ų2143.8 Ų43.822%0.21624%0.239CC..  trans-68.5157.4172.300000112.7T215 M216 E222 R223T215-G220 PolarHBondContact O-N 3.37Å; T215-G220 VanDerWaalsContact O-N 3.16Å; M216-G220 WeakPolarHBondContact O-CA 3.24Å; M216-G220 PolarHBondContact O-N 3.01Å; M216-G220 VanDerWaalsContact O-N 3.08Å; G220-E222 VanDerWaalsContact C-N 3.3Å; G220-E222 PolarHBondContact O-N 3.32Å; G220-R223 WeakPolarHBondContact O-CB 3.37Å; G220-R223 PolarHBondContact O-N 2.86Å
221A92.4Very high96.2Very high102 Ų10245 Ų4584%0.84324%0.244SC*.THydrogen-bonded Turntrans-67.8-32.8178.600000112.2R223A221-R223 VanDerWaalsContact C-N 3.27Å; A221-R223 PolarHBondContact O-N 3.07Å
222E94.3Very high96.3Very high43 Ų4341.4 Ų41.420%0.20123%0.228CC..THydrogen-bonded Turntrans-79.3-7.1179-59.181.4177.400113G220 D224 A225 L226 E335G220-E222 VanDerWaalsContact C-N 3.3Å; G220-E222 PolarHBondContact O-N 3.32Å; E222-D224 PolarHBondContact O-N 2.86Å; E222-A225 PolarHBondContact O-N 3.03Å; E222-A225 VanDerWaalsContact O-N 3.12Å; E222-L226 HydrophobicContact CB-CD1 4.1Å; E222-L226 HydrophobicContact CB-CG 4.31Å; E222-L226 WeakPolarHBondContact O-CG 3.32Å; E222-L226 PolarHBondContact O-N 2.75Å; E222-E335 HydrophobicContact CB-CB 4Å; E222-E335 HydrophobicContact CB-CG 4.5Å; E222-E335 HydrophobicContact CG-CB 3.89Å
223R96.4Very high96.4Very high66 Ų6642.5 Ų42.525%0.24923%0.229CC..Hα-helixtrans-49.2-53.4-167.2-171.7-162.593.2132.36.5114.3M217 K218 G220 A221 A225 L226 K227 W254M217-R223 VanDerWaalsContact O-CD 3.22Å; M217-R223 WeakPolarHBondContact O-CD 3.45Å; M217-R223 WeakPolarHBondContact O-CG 3.43Å; K218-R223 VanDerWaalsContact O-CD 3.29Å; K218-R223 WeakPolarHBondContact O-CD 3.39Å; G220-R223 WeakPolarHBondContact O-CB 3.37Å; G220-R223 PolarHBondContact O-N 2.86Å; A221-R223 VanDerWaalsContact C-N 3.27Å; A221-R223 PolarHBondContact O-N 3.07Å; R223-A225 VanDerWaalsContact C-N 3.28Å; R223-A225 PolarHBondContact O-N 3.09Å; R223-L226 WeakPolarHBondContact O-CB 3.34Å; R223-L226 PolarHBondContact O-N 2.96Å; R223-K227 PolarHBondContact O-N 3.02Å; R223-W254 HydrophobicContact CG-CZ2 4.21Å
224D97.6Very high96.4Very high86 Ų8644.3 Ų44.346%0.4624%0.238SC..Hα-helixtrans-73.7-23.9-171.6-62.9-36000112E222 R228E222-D224 PolarHBondContact O-N 2.86Å; D224-R228 WeakPolarHBondContact O-CG 3.37Å; D224-R228 PolarHBondContact O-N 2.97Å; D224-R228 PolarHBondContact O-NH1 3.25Å
225A98.1Very high96.3Very high9 Ų942.5 Ų42.57%0.07423%0.232CC..Hα-helixtrans-74-42.8170.400000111.6E222 R223 K227 R228 R229 E335E222-A225 PolarHBondContact O-N 3.03Å; E222-A225 VanDerWaalsContact O-N 3.12Å; R223-A225 VanDerWaalsContact C-N 3.28Å; R223-A225 PolarHBondContact O-N 3.09Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.99Å; A225-R228 PolarHBondContact O-N 3.24Å; A225-R229 WeakPolarHBondContact O-CG 3.39Å; A225-R229 PolarHBondContact O-N 2.99Å; A225-E335 VanDerWaalsContact CB-CD 3.43Å; A225-E335 HydrophobicContact CB-CG 3.89Å; A225-E335 WeakPolarHBondContact CB-OE2 3.5Å
226L98.4Very high96.1Very high1 Ų141.9 Ų41.91%0.00522%0.224CC..Hα-helixtrans-56.7-43.7170.9-63.2170.5000111M216 E222 R223 R229 W230 F293 F296 V297 E335M216-L226 HydrophobicContact CG-CD1 4Å; M216-L226 HydrophobicContact SD-CD1 4.14Å; E222-L226 HydrophobicContact CB-CD1 4.1Å; E222-L226 HydrophobicContact CB-CG 4.31Å; E222-L226 WeakPolarHBondContact O-CG 3.32Å; E222-L226 PolarHBondContact O-N 2.75Å; R223-L226 WeakPolarHBondContact O-CB 3.34Å; R223-L226 PolarHBondContact O-N 2.96Å; L226-R229 PolarHBondContact O-N 3.14Å; L226-W230 PolarHBondContact O-N 3.49Å; L226-F293 HydrophobicContact CB-CE2 4.46Å; L226-F293 HydrophobicContact CB-CZ 3.97Å; L226-F293 WeakPolarHBondContact O-CE2 3.35Å; L226-F293 WeakPolarHBondContact O-CZ 3.29Å; L226-F296 HydrophobicContact CD2-CD1 4.02Å; L226-F296 HydrophobicContact CD2-CE1 3.67Å; L226-V297 HydrophobicContact CD1-CG2 4.48Å; L226-E335 HydrophobicContact CD2-CG 4.19Å; L226-E335 HydrophobicContact CG-CG 4.49Å
227K98.4Very high96Very high28 Ų2845 Ų4512%0.12224%0.238CC..Hα-helixtrans-63-42.6175.4-173.1167.9-175.2166.40113R223 A225 W230 R231 E251 W254R223-K227 PolarHBondContact O-N 3.02Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.99Å; K227-W230 HydrophobicContact CG-CE3 4.27Å; K227-W230 PolarHBondContact O-N 2.98Å; K227-R231 WeakPolarHBondContact O-CB 3.5Å; K227-R231 PolarHBondContact O-N 3.4Å; K227-E251 IonicContact NZ-OE1 2.69Å; K227-E251 PolarHBondContact NZ-OE1 3.11Å; K227-E251 IonicContact NZ-OE2 3.32Å; K227-E251 PolarHBondContact NZ-OE2 3.31Å; K227-W254 HydrophobicContact CB-CD2 4.45Å; K227-W254 HydrophobicContact CB-CE3 4.13Å; K227-W254 HydrophobicContact CB-CH2 3.69Å; K227-W254 HydrophobicContact CB-CZ2 4.06Å; K227-W254 HydrophobicContact CB-CZ3 3.73Å; K227-W254 HydrophobicContact CD-CD2 3.58Å; K227-W254 HydrophobicContact CD-CE3 3.98Å; K227-W254 HydrophobicContact CD-CG 3.88Å; K227-W254 HydrophobicContact CD-CH2 4.48Å; K227-W254 HydrophobicContact CD-CZ2 4.15Å; K227-W254 HydrophobicContact CD-CZ3 4.4Å; K227-W254 VanDerWaalsContact CE-CG 3.41Å; K227-W254 HydrophobicContact CG-CD2 3.84Å; K227-W254 HydrophobicContact CG-CE3 3.66Å; K227-W254 HydrophobicContact CG-CH2 4.15Å; K227-W254 HydrophobicContact CG-CZ2 4.32Å; K227-W254 HydrophobicContact CG-CZ3 3.82Å
228R98.1Very high95.8Very high46 Ų4645.4 Ų45.417%0.17424%0.24CC..Hα-helixtrans-62-42.4174.6-75.5-170.1-51-85.86.5112.4D224 A225 R231 W232 D390 G392 W397D224-R228 WeakPolarHBondContact O-CG 3.37Å; D224-R228 PolarHBondContact O-N 2.97Å; D224-R228 PolarHBondContact O-NH1 3.25Å; A225-R228 PolarHBondContact O-N 3.24Å; R228-R231 PolarHBondContact O-N 3.02Å; R228-W232 VanDerWaalsContact O-CB 3.25Å; R228-W232 WeakPolarHBondContact O-CB 3.32Å; R228-W232 PolarHBondContact O-N 2.79Å; R228-D390 VanDerWaalsContact CB-OD1 3.3Å; R228-D390 WeakPolarHBondContact CB-OD1 3.44Å; R228-D390 IonicContact CZ-OD1 3.57Å; R228-D390 IonicContact CZ-OD2 3.27Å; R228-D390 IonicContact NE-OD1 2.85Å; R228-D390 PolarHBondContact NE-OD1 3.22Å; R228-D390 IonicContact NE-OD2 2.97Å; R228-D390 PolarHBondContact NE-OD2 3.2Å; R228-D390 IonicContact NH2-OD1 2.66Å; R228-D390 IonicContact NH2-OD2 3.3Å; R228-D390 PolarHBondContact NH2-OD2 2.9Å; R228-G392 WeakPolarHBondContact CD-O 3.43Å; R228-W397 HydrophobicContact CG-CZ2 4.48Å
229R98.3Very high95.5Very high22 Ų2243.7 Ų43.78%0.08323%0.233CC..Hα-helixtrans-63.2-44.5177.4-70177.5175.6-76-8112.6A225 L226 W232 Q233 F296 E335 F387 A388 D390A225-R229 WeakPolarHBondContact O-CG 3.39Å; A225-R229 PolarHBondContact O-N 2.99Å; L226-R229 PolarHBondContact O-N 3.14Å; R229-W232 PolarHBondContact O-N 2.93Å; R229-Q233 PolarHBondContact O-N 3.31Å; R229-F296 HydrophobicContact CB-CE1 4.41Å; R229-E335 IonicContact CZ-OE1 3.12Å; R229-E335 IonicContact NE-OE1 3.52Å; R229-E335 PolarHBondContact NE-OE1 2.79Å; R229-E335 IonicContact NH2-OE1 2.7Å; R229-E335 PolarHBondContact NH2-OE1 3.47Å; R229-F387 HydrophobicContact CB-CB 4.17Å; R229-F387 WeakPolarHBondContact CD-O 3.28Å; R229-F387 PolarHBondContact NH1-O 2.77Å; R229-A388 PolarHBondContact NH1-O 3.33Å; R229-D390 HydrophobicContact CG-CB 3.79Å
230W98.4Very high95.3Very high11 Ų1147.8 Ų47.84%0.04224%0.242CC..Hα-helixtrans-59.1-56.6173163.271.6000111.1L226 K227 W232 Q233 Q234 W250 E253 W254 L257 F293 F387L226-W230 PolarHBondContact O-N 3.49Å; K227-W230 HydrophobicContact CG-CE3 4.27Å; K227-W230 PolarHBondContact O-N 2.98Å; W230-W232 PolarHBondContact O-N 3.06Å; W230-Q233 PolarHBondContact O-N 2.84Å; W230-Q233 VanDerWaalsContact O-N 3.1Å; W230-Q234 WeakPolarHBondContact O-CB 3.47Å; W230-Q234 PolarHBondContact O-N 2.7Å; W230-W250 AromaticContact CH2-CE3 3.69Å; W230-W250 HydrophobicContact CH2-CE3 3.69Å; W230-W250 HydrophobicContact CH2-CZ3 4.08Å; W230-W250 HydrophobicContact CZ2-CE3 4.27Å; W230-W250 HydrophobicContact CZ2-CZ3 4.23Å; W230-W250 AromaticContact CZ3-CE3 3.91Å; W230-W250 HydrophobicContact CZ3-CE3 3.91Å; W230-W250 HydrophobicContact CZ3-CZ3 4.38Å; W230-E253 HydrophobicContact CH2-CB 3.88Å; W230-E253 HydrophobicContact CZ2-CB 3.86Å; W230-W254 HydrophobicContact CD2-CE3 4.2Å; W230-W254 AromaticContact CE3-CE3 3.62Å; W230-W254 HydrophobicContact CE3-CE3 3.62Å; W230-W254 HydrophobicContact CE3-CZ3 4.16Å; W230-W254 HydrophobicContact CH2-CB 4.07Å; W230-W254 HydrophobicContact CZ3-CB 3.95Å; W230-W254 AromaticContact CZ3-CE3 3.85Å; W230-W254 HydrophobicContact CZ3-CE3 3.85Å; W230-L257 HydrophobicContact CD2-CD1 3.98Å; W230-L257 VanDerWaalsContact CE2-CD1 3.49Å; W230-L257 HydrophobicContact CG-CD1 4.28Å; W230-L257 HydrophobicContact CH2-CD1 4.48Å; W230-L257 HydrophobicContact CZ2-CD1 3.78Å; W230-F293 HydrophobicContact CB-CD1 4.49Å; W230-F293 HydrophobicContact CB-CD2 3.75Å; W230-F293 HydrophobicContact CB-CE1 4.37Å; W230-F293 HydrophobicContact CB-CE2 3.6Å; W230-F293 HydrophobicContact CB-CG 4.19Å; W230-F293 HydrophobicContact CB-CZ 3.91Å; W230-F293 HydrophobicContact CG-CD2 4.39Å; W230-F293 HydrophobicContact CG-CG 4.38Å; W230-F387 HydrophobicContact CB-CE1 4.41Å
231R97.8Very high95.3Very high27 Ų2750.5 Ų50.510%0.10226%0.258CS..Hα-helixtrans-56.3-38.5180-178.6172.4175.4168.8-0.5111.6K227 R228 T235 E247 W250 W397K227-R231 WeakPolarHBondContact O-CB 3.5Å; K227-R231 PolarHBondContact O-N 3.4Å; R228-R231 PolarHBondContact O-N 3.02Å; R231-T235 VanDerWaalsContact O-CB 3.23Å; R231-T235 WeakPolarHBondContact O-CB 3.47Å; R231-T235 PolarHBondContact O-N 3.23Å; R231-T235 PolarHBondContact O-OG1 2.99Å; R231-E247 IonicContact CZ-OE1 3.68Å; R231-E247 IonicContact CZ-OE2 2.7Å; R231-E247 IonicContact NH1-OE1 2.7Å; R231-E247 IonicContact NH1-OE2 2.67Å; R231-E247 PolarHBondContact NH1-OE2 3.45Å; R231-E247 IonicContact NH2-OE1 3.74Å; R231-E247 PolarHBondContact NH2-OE1 2.91Å; R231-E247 IonicContact NH2-OE2 2.8Å; R231-E247 PolarHBondContact NH2-OE2 2.99Å; R231-W250 HydrophobicContact CB-CE3 4.31Å; R231-W250 HydrophobicContact CB-CZ3 4.29Å; R231-W250 HydrophobicContact CG-CD2 3.81Å; R231-W250 HydrophobicContact CG-CE3 3.74Å; R231-W250 HydrophobicContact CG-CH2 4.01Å; R231-W250 HydrophobicContact CG-CZ2 4.06Å; R231-W250 HydrophobicContact CG-CZ3 3.85Å; R231-W250 VanDerWaalsContact NH2-CD1 3.26Å; R231-W397 HydrophobicContact CB-CH2 3.96Å; R231-W397 HydrophobicContact CB-CZ2 4.27Å; R231-W397 HydrophobicContact CB-CZ3 4.47Å; R231-W397 HydrophobicContact CG-CD2 4.46Å; R231-W397 HydrophobicContact CG-CE3 4.16Å; R231-W397 HydrophobicContact CG-CH2 3.68Å; R231-W397 HydrophobicContact CG-CZ2 3.99Å; R231-W397 HydrophobicContact CG-CZ3 3.77Å
232W96.6Very high95.3Very high22 Ų2248.8 Ų48.88%0.08325%0.25CS..Hα-helixtrans-61.6-53.4174.6170.9-94.8000112.3R228 R229 W230 Q234 T235 Q236 V389 P391 W395 W397 L407 L410R228-W232 VanDerWaalsContact O-CB 3.25Å; R228-W232 WeakPolarHBondContact O-CB 3.32Å; R228-W232 PolarHBondContact O-N 2.79Å; R229-W232 PolarHBondContact O-N 2.93Å; W230-W232 PolarHBondContact O-N 3.06Å; W232-Q234 PolarHBondContact O-N 2.96Å; W232-T235 WeakPolarHBondContact O-CB 3.5Å; W232-T235 PolarHBondContact O-N 3.23Å; W232-Q236 WeakPolarHBondContact O-CG 3.13Å; W232-Q236 PolarHBondContact O-N 3.05Å; W232-Q236 VanDerWaalsContact O-N 3.13Å; W232-V389 HydrophobicContact CD2-CG1 4.2Å; W232-V389 HydrophobicContact CG-CG1 4.34Å; W232-V389 HydrophobicContact CZ2-CG1 4.15Å; W232-P391 HydrophobicContact CB-CG 4.25Å; W232-P391 HydrophobicContact CD2-CG 4.49Å; W232-P391 HydrophobicContact CE3-CB 3.95Å; W232-P391 HydrophobicContact CE3-CG 4.06Å; W232-P391 HydrophobicContact CZ3-CB 4.33Å; W232-W395 HydrophobicContact CE3-CZ2 4.41Å; W232-W395 HydrophobicContact CH2-CH2 4.41Å; W232-W395 HydrophobicContact CH2-CZ2 4.48Å; W232-W395 AromaticContact CZ3-CH2 3.89Å; W232-W395 HydrophobicContact CZ3-CH2 3.89Å; W232-W395 AromaticContact CZ3-CZ2 3.59Å; W232-W395 HydrophobicContact CZ3-CZ2 3.59Å; W232-W397 HydrophobicContact CB-CH2 4.15Å; W232-L407 HydrophobicContact CH2-CD2 3.61Å; W232-L407 HydrophobicContact CZ3-CD2 3.99Å; W232-L410 HydrophobicContact CE3-CD1 4.37Å; W232-L410 HydrophobicContact CH2-CB 4.02Å; W232-L410 HydrophobicContact CH2-CD1 3.47Å; W232-L410 VanDerWaalsContact CH2-CD1 3.47Å; W232-L410 HydrophobicContact CH2-CG 4.4Å; W232-L410 HydrophobicContact CZ2-CB 4.02Å; W232-L410 HydrophobicContact CZ2-CD1 4.1Å; W232-L410 HydrophobicContact CZ3-CD1 3.64Å
233Q96.3Very high95.3Very high54 Ų5450.1 Ų50.125%0.25226%0.258SS..Hα-helixtrans-62.2-45.1-179.8-179.2162-5600111.3R229 W230 T235 Q236 Q237 F387R229-Q233 PolarHBondContact O-N 3.31Å; W230-Q233 PolarHBondContact O-N 2.84Å; W230-Q233 VanDerWaalsContact O-N 3.1Å; Q233-T235 VanDerWaalsContact C-N 3.31Å; Q233-T235 PolarHBondContact O-N 3.44Å; Q233-Q236 PolarHBondContact O-N 2.86Å; Q233-Q236 VanDerWaalsContact O-N 3.15Å; Q233-Q237 PolarHBondContact O-N 2.81Å; Q233-Q237 VanDerWaalsContact O-N 3.11Å; Q233-F387 HydrophobicContact CB-CD1 3.77Å; Q233-F387 HydrophobicContact CB-CE1 3.85Å; Q233-F387 HydrophobicContact CG-CD1 4.26Å; Q233-F387 HydrophobicContact CG-CE1 4.08Å
234Q96.6Very high95.2Very high40 Ų4052.6 Ų52.619%0.18728%0.28CS..Hα-helixtrans-62.1-37.5175.6-164.562.857.300112W230 W232 Q236 Q237 N238 W250W230-Q234 WeakPolarHBondContact O-CB 3.47Å; W230-Q234 PolarHBondContact O-N 2.7Å; W232-Q234 PolarHBondContact O-N 2.96Å; Q234-Q236 VanDerWaalsContact C-N 3.32Å; Q234-Q236 PolarHBondContact O-N 2.94Å; Q234-Q237 PolarHBondContact O-N 2.88Å; Q234-N238 PolarHBondContact NE2-OD1 2.98Å; Q234-N238 VanDerWaalsContact O-CB 3.29Å; Q234-N238 WeakPolarHBondContact O-CB 3.42Å; Q234-N238 PolarHBondContact O-N 3.34Å; Q234-N238 PolarHBondContact O-OD1 3.28Å; Q234-W250 HydrophobicContact CB-CH2 3.74Å; Q234-W250 HydrophobicContact CB-CZ3 3.73Å; Q234-W250 HydrophobicContact CG-CH2 3.78Å; Q234-W250 HydrophobicContact CG-CZ3 3.71Å
235T94.8Very high95Very high13 Ų1351 Ų518%0.0827%0.268CS..Hα-helixtrans-61.5-38.8174.5-62.20000111.9R231 W232 Q233 K239 W250R231-T235 VanDerWaalsContact O-CB 3.23Å; R231-T235 WeakPolarHBondContact O-CB 3.47Å; R231-T235 PolarHBondContact O-N 3.23Å; R231-T235 PolarHBondContact O-OG1 2.99Å; W232-T235 WeakPolarHBondContact O-CB 3.5Å; W232-T235 PolarHBondContact O-N 3.23Å; Q233-T235 VanDerWaalsContact C-N 3.31Å; Q233-T235 PolarHBondContact O-N 3.44Å; T235-K239 HydrophobicContact CG2-CD 4.46Å; T235-K239 WeakPolarHBondContact O-CG 3.32Å; T235-K239 PolarHBondContact O-N 3.45Å; T235-W250 WeakPolarHBondContact OG1-CZ2 3.37Å
236Q92.1Very high94.9Very high61 Ų6153.7 Ų53.729%0.28528%0.284SS..Hα-helixtrans-68.4-43.3176.8-54.1-47.9-45.900111.5W232 Q233 Q234 K239W232-Q236 WeakPolarHBondContact O-CG 3.13Å; W232-Q236 PolarHBondContact O-N 3.05Å; W232-Q236 VanDerWaalsContact O-N 3.13Å; Q233-Q236 PolarHBondContact O-N 2.86Å; Q233-Q236 VanDerWaalsContact O-N 3.15Å; Q234-Q236 VanDerWaalsContact C-N 3.32Å; Q234-Q236 PolarHBondContact O-N 2.94Å; Q236-K239 WeakPolarHBondContact O-CB 3.29Å; Q236-K239 PolarHBondContact O-N 2.86Å
237Q92.3Very high94.8Very high95 Ų9558.5 Ų58.544%0.44431%0.306SS..Hα-helixtrans-63.9-44.8177.3-170.2-175.823.500111.9Q233 Q234 K239 E240Q233-Q237 PolarHBondContact O-N 2.81Å; Q233-Q237 VanDerWaalsContact O-N 3.11Å; Q234-Q237 PolarHBondContact O-N 2.88Å; Q237-K239 PolarHBondContact O-N 3.03Å; Q237-E240 WeakPolarHBondContact O-CB 3.38Å; Q237-E240 PolarHBondContact O-N 3.46Å
238N93.9Very high94.7Very high9 Ų963.2 Ų63.25%0.04833%0.329CS..Hα-helixtrans-59.7-35.9179-73.210.3000111.4Q234 E240 S241 G242 L243 Y245Q234-N238 PolarHBondContact NE2-OD1 2.98Å; Q234-N238 VanDerWaalsContact O-CB 3.29Å; Q234-N238 WeakPolarHBondContact O-CB 3.42Å; Q234-N238 PolarHBondContact O-N 3.34Å; Q234-N238 PolarHBondContact O-OD1 3.28Å; N238-E240 VanDerWaalsContact C-N 3.31Å; N238-E240 PolarHBondContact O-N 3.36Å; N238-S241 CarbonylContact O-C 3.52Å; N238-S241 PolarHBondContact O-N 3.01Å; N238-S241 VanDerWaalsContact O-N 3.08Å; N238-S241 PolarHBondContact O-OG 3.41Å; N238-G242 PolarHBondContact O-N 3.4Å; N238-L243 CarbonylContact C-O 3.48Å; N238-L243 HydrophobicContact CB-CB 4.05Å; N238-L243 HydrophobicContact CB-CD2 4.49Å; N238-L243 HydrophobicContact CB-CG 4.34Å; N238-L243 WeakPolarHBondContact CB-O 3.46Å; N238-L243 PolarHBondContact O-N 3.44Å; N238-Y245 VanDerWaalsContact ND2-CD2 3.27Å; N238-Y245 WeakPolarHBondContact ND2-CD2 3.37Å; N238-Y245 WeakPolarHBondContact ND2-CE2 3.47Å
239K89.7Confident94.7Very high73 Ų7363.8 Ų63.832%0.31733%0.333SS..Hα-helixtrans-63.2-29174.1-77.9173.7178.8-179.70114.5T235 Q236 Q237 S241 G242 D401T235-K239 HydrophobicContact CG2-CD 4.46Å; T235-K239 WeakPolarHBondContact O-CG 3.32Å; T235-K239 PolarHBondContact O-N 3.45Å; Q236-K239 WeakPolarHBondContact O-CB 3.29Å; Q236-K239 PolarHBondContact O-N 2.86Å; Q237-K239 PolarHBondContact O-N 3.03Å; K239-S241 PolarHBondContact O-N 2.85Å; K239-G242 PolarHBondContact O-N 2.9Å; K239-D401 WeakPolarHBondContact CE-OD2 3.41Å; K239-D401 VanDerWaalsContact NZ-CB 3.34Å; K239-D401 PolarHBondContact NZ-O 2.97Å; K239-D401 IonicContact NZ-OD2 3.29Å; K239-D401 PolarHBondContact NZ-OD2 3.06Å
240E89.8Confident94.7Very high175 Ų17563.3 Ų63.382%0.81833%0.332SS*.Hα-helixtrans-67.6-26.7174.4-58.2-172.8160.500111.9Q237 N238Q237-E240 WeakPolarHBondContact O-CB 3.38Å; Q237-E240 PolarHBondContact O-N 3.46Å; N238-E240 VanDerWaalsContact C-N 3.31Å; N238-E240 PolarHBondContact O-N 3.36Å
241S91.6Very high94.6Very high78 Ų7866.8 Ų66.855%0.54535%0.348SS..Hα-helixtrans-97.1-7.5175.269.40000114.7N238 K239 L243N238-S241 CarbonylContact O-C 3.52Å; N238-S241 PolarHBondContact O-N 3.01Å; N238-S241 VanDerWaalsContact O-N 3.08Å; N238-S241 PolarHBondContact O-OG 3.41Å; K239-S241 PolarHBondContact O-N 2.85Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 WeakPolarHBondContact OG-CB 3.36Å
242G92.3Very high94.6Very high66 Ų6672.1 Ų72.168%0.6837%0.368SS*.THydrogen-bonded Turntrans75.613-172.700000114.8N238 K239N238-G242 PolarHBondContact O-N 3.4Å; K239-G242 PolarHBondContact O-N 2.9Å
243L93.9Very high94.7Very high70 Ų7073.9 Ų73.937%0.36638%0.378SS..  trans-79.7140.6177.2179.761.2000110.9N238 S241 Y245N238-L243 CarbonylContact C-O 3.48Å; N238-L243 HydrophobicContact CB-CB 4.05Å; N238-L243 HydrophobicContact CB-CD2 4.49Å; N238-L243 HydrophobicContact CB-CG 4.34Å; N238-L243 WeakPolarHBondContact CB-O 3.46Å; N238-L243 PolarHBondContact O-N 3.44Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 WeakPolarHBondContact OG-CB 3.36Å; L243-Y245 HydrophobicContact CD1-CD1 4.36Å; L243-Y245 HydrophobicContact CD1-CE1 4.24Å; L243-Y245 HydrophobicContact CD2-CD1 4.49Å; L243-Y245 HydrophobicContact CD2-CE1 3.83Å; L243-Y245 HydrophobicContact CG-CD1 4.41Å; L243-Y245 HydrophobicContact CG-CE1 4.21Å
244V93.6Very high94.8Very high119 Ų11971.3 Ų71.372%0.72137%0.366SS*.  trans-138.5123.2172.2-177.80000107.7
245Y95.1Very high94.9Very high51 Ų5173 Ų7320%0.238%0.376CS..  trans-90145.5178.8-73.4-37.8000112.2N238 L243 E249 W250 E253N238-Y245 VanDerWaalsContact ND2-CD2 3.27Å; N238-Y245 WeakPolarHBondContact ND2-CD2 3.37Å; N238-Y245 WeakPolarHBondContact ND2-CE2 3.47Å; L243-Y245 HydrophobicContact CD1-CD1 4.36Å; L243-Y245 HydrophobicContact CD1-CE1 4.24Å; L243-Y245 HydrophobicContact CD2-CD1 4.49Å; L243-Y245 HydrophobicContact CD2-CE1 3.83Å; L243-Y245 HydrophobicContact CG-CD1 4.41Å; L243-Y245 HydrophobicContact CG-CE1 4.21Å; Y245-E249 VanDerWaalsContact CA-OE2 3.3Å; Y245-E249 WeakPolarHBondContact CA-OE2 3.45Å; Y245-E249 HydrophobicContact CD1-CB 3.82Å; Y245-E249 HydrophobicContact CD1-CG 4.37Å; Y245-E249 HydrophobicContact CG-CB 3.92Å; Y245-W250 HydrophobicContact CD2-CD2 4.08Å; Y245-W250 AromaticContact CD2-CE2 3.98Å; Y245-W250 HydrophobicContact CD2-CE3 4.04Å; Y245-W250 AromaticContact CD2-CH2 3.85Å; Y245-W250 HydrophobicContact CD2-CH2 3.85Å; Y245-W250 AromaticContact CD2-CZ2 3.89Å; Y245-W250 HydrophobicContact CD2-CZ2 3.89Å; Y245-W250 AromaticContact CD2-CZ3 3.92Å; Y245-W250 HydrophobicContact CD2-CZ3 3.92Å; Y245-W250 HydrophobicContact CE2-CH2 4.5Å; Y245-W250 HydrophobicContact CE2-CZ3 4.42Å; Y245-W250 PolarHBondContact O-NE1 3.08Å; Y245-E253 HydrophobicContact CE2-CG 4.08Å
246T95.6Very high95Very high66 Ų6676.6 Ų76.641%0.40539%0.392SS..  trans-73.6169.8165.580.80000111.8E248 E249 W250T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CB-OE2 3.47Å; T246-E248 PolarHBondContact O-N 3.44Å; T246-E248 PolarHBondContact OG1-N 2.84Å; T246-E248 PolarHBondContact OG1-OE2 3.26Å; T246-E249 PolarHBondContact N-OE2 2.99Å; T246-E249 WeakPolarHBondContact O-CB 3.35Å; T246-E249 PolarHBondContact O-N 2.9Å; T246-E249 VanDerWaalsContact O-N 3.12Å; T246-E249 PolarHBondContact OG1-N 2.94Å; T246-W250 PolarHBondContact O-N 3.32Å
247E95.3Very high95.3Very high103 Ų10374 Ų7448%0.48138%0.38SS..Hα-helixtrans-62.8-35175.5-62.4-57.1137.800112R231 E249 W250 E251R231-E247 IonicContact CZ-OE1 3.68Å; R231-E247 IonicContact CZ-OE2 2.7Å; R231-E247 IonicContact NH1-OE1 2.7Å; R231-E247 IonicContact NH1-OE2 2.67Å; R231-E247 PolarHBondContact NH1-OE2 3.45Å; R231-E247 IonicContact NH2-OE1 3.74Å; R231-E247 PolarHBondContact NH2-OE1 2.91Å; R231-E247 IonicContact NH2-OE2 2.8Å; R231-E247 PolarHBondContact NH2-OE2 2.99Å; E247-E249 VanDerWaalsContact C-N 3.26Å; E247-E249 PolarHBondContact O-N 3.41Å; E247-W250 PolarHBondContact O-N 3.01Å; E247-E251 WeakPolarHBondContact O-CB 3.49Å; E247-E251 PolarHBondContact O-N 2.8Å
248E97.2Very high95.5Very high126 Ų12670.3 Ų70.359%0.58936%0.363SS*.Hα-helixtrans-72.6-18.6175.6-49.577.1-169.800112.7T246 R252T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CB-OE2 3.47Å; T246-E248 PolarHBondContact O-N 3.44Å; T246-E248 PolarHBondContact OG1-N 2.84Å; T246-E248 PolarHBondContact OG1-OE2 3.26Å; E248-R252 WeakPolarHBondContact O-CB 3.41Å; E248-R252 VanDerWaalsContact O-CG 3.25Å; E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 2.93Å; E248-R252 PolarHBondContact O-NE 2.87Å
249E97.7Very high95.7Very high58 Ų5875.1 Ų75.127%0.27138%0.384SS..Hα-helixtrans-81.8-47.8168.6-75.4171.5158.500110.3Y245 T246 E247 E251 R252 E253Y245-E249 VanDerWaalsContact CA-OE2 3.3Å; Y245-E249 WeakPolarHBondContact CA-OE2 3.45Å; Y245-E249 HydrophobicContact CD1-CB 3.82Å; Y245-E249 HydrophobicContact CD1-CG 4.37Å; Y245-E249 HydrophobicContact CG-CB 3.92Å; T246-E249 PolarHBondContact N-OE2 2.99Å; T246-E249 WeakPolarHBondContact O-CB 3.35Å; T246-E249 PolarHBondContact O-N 2.9Å; T246-E249 VanDerWaalsContact O-N 3.12Å; T246-E249 PolarHBondContact OG1-N 2.94Å; E247-E249 VanDerWaalsContact C-N 3.26Å; E247-E249 PolarHBondContact O-N 3.41Å; E249-E251 PolarHBondContact O-N 2.94Å; E249-R252 PolarHBondContact O-N 3.03Å; E249-R252 IonicContact OE1-NH2 2.69Å; E249-E253 WeakPolarHBondContact O-CG 3.48Å; E249-E253 PolarHBondContact O-N 2.92Å
250W97.3Very high96Very high13 Ų1373 Ų735%0.04938%0.376CS..Hα-helixtrans-56-37.4173.8-75116.5000113.5W230 R231 Q234 T235 Y245 T246 E247 W254W230-W250 AromaticContact CH2-CE3 3.69Å; W230-W250 HydrophobicContact CH2-CE3 3.69Å; W230-W250 HydrophobicContact CH2-CZ3 4.08Å; W230-W250 HydrophobicContact CZ2-CE3 4.27Å; W230-W250 HydrophobicContact CZ2-CZ3 4.23Å; W230-W250 AromaticContact CZ3-CE3 3.91Å; W230-W250 HydrophobicContact CZ3-CE3 3.91Å; W230-W250 HydrophobicContact CZ3-CZ3 4.38Å; R231-W250 HydrophobicContact CB-CE3 4.31Å; R231-W250 HydrophobicContact CB-CZ3 4.29Å; R231-W250 HydrophobicContact CG-CD2 3.81Å; R231-W250 HydrophobicContact CG-CE3 3.74Å; R231-W250 HydrophobicContact CG-CH2 4.01Å; R231-W250 HydrophobicContact CG-CZ2 4.06Å; R231-W250 HydrophobicContact CG-CZ3 3.85Å; R231-W250 VanDerWaalsContact NH2-CD1 3.26Å; Q234-W250 HydrophobicContact CB-CH2 3.74Å; Q234-W250 HydrophobicContact CB-CZ3 3.73Å; Q234-W250 HydrophobicContact CG-CH2 3.78Å; Q234-W250 HydrophobicContact CG-CZ3 3.71Å; T235-W250 WeakPolarHBondContact OG1-CZ2 3.37Å; Y245-W250 HydrophobicContact CD2-CD2 4.08Å; Y245-W250 AromaticContact CD2-CE2 3.98Å; Y245-W250 HydrophobicContact CD2-CE3 4.04Å; Y245-W250 AromaticContact CD2-CH2 3.85Å; Y245-W250 HydrophobicContact CD2-CH2 3.85Å; Y245-W250 AromaticContact CD2-CZ2 3.89Å; Y245-W250 HydrophobicContact CD2-CZ2 3.89Å; Y245-W250 AromaticContact CD2-CZ3 3.92Å; Y245-W250 HydrophobicContact CD2-CZ3 3.92Å; Y245-W250 HydrophobicContact CE2-CH2 4.5Å; Y245-W250 HydrophobicContact CE2-CZ3 4.42Å; Y245-W250 PolarHBondContact O-NE1 3.08Å; T246-W250 PolarHBondContact O-N 3.32Å; E247-W250 PolarHBondContact O-N 3.01Å; W250-W254 WeakPolarHBondContact O-CB 3.39Å; W250-W254 PolarHBondContact O-N 3.4Å
251E97.7Very high96.4Very high83 Ų8364.7 Ų64.739%0.38834%0.337SS..Hα-helixtrans-75.3-34175.4-161.656.3-12800112.3K227 E247 E249 N255K227-E251 IonicContact NZ-OE1 2.69Å; K227-E251 PolarHBondContact NZ-OE1 3.11Å; K227-E251 IonicContact NZ-OE2 3.32Å; K227-E251 PolarHBondContact NZ-OE2 3.31Å; E247-E251 WeakPolarHBondContact O-CB 3.49Å; E247-E251 PolarHBondContact O-N 2.8Å; E249-E251 PolarHBondContact O-N 2.94Å; E251-N255 PolarHBondContact O-N 3Å; E251-N255 PolarHBondContact O-ND2 3.41Å; E251-N255 PolarHBondContact OE1-ND2 3.19Å
252R98.2Very high96.5Very high139 Ų13961.4 Ų61.453%0.52531%0.314SS..Hα-helixtrans-66.3-50.3175-83.5-177.1-69.6149.4-8.6112.2E248 E249 W254 N255 E256E248-R252 WeakPolarHBondContact O-CB 3.41Å; E248-R252 VanDerWaalsContact O-CG 3.25Å; E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 2.93Å; E248-R252 PolarHBondContact O-NE 2.87Å; E249-R252 PolarHBondContact O-N 3.03Å; E249-R252 IonicContact OE1-NH2 2.69Å; R252-W254 VanDerWaalsContact C-N 3.26Å; R252-W254 PolarHBondContact O-N 3.4Å; R252-N255 PolarHBondContact O-N 3.35Å; R252-E256 PolarHBondContact O-N 3.46Å
253E98.1Very high96.5Very high59 Ų5959.9 Ų59.928%0.27629%0.293SS..Hα-helixtrans-60.9-37.1178.1-58.4-54.9129.100111.1W230 Y245 E249 N255 E256 L257W230-E253 HydrophobicContact CH2-CB 3.88Å; W230-E253 HydrophobicContact CZ2-CB 3.86Å; Y245-E253 HydrophobicContact CE2-CG 4.08Å; E249-E253 WeakPolarHBondContact O-CG 3.48Å; E249-E253 PolarHBondContact O-N 2.92Å; E253-N255 PolarHBondContact O-N 2.98Å; E253-E256 PolarHBondContact O-N 2.94Å; E253-L257 WeakPolarHBondContact O-CG 3.23Å; E253-L257 PolarHBondContact O-N 2.89Å
254W98.1Very high96.4Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-64.1-37.6173.3-179.3-100.1000113.7R223 K227 W230 W250 R252 L257 L258 F293R223-W254 HydrophobicContact CG-CZ2 4.21Å; K227-W254 HydrophobicContact CB-CD2 4.45Å; K227-W254 HydrophobicContact CB-CE3 4.13Å; K227-W254 HydrophobicContact CB-CH2 3.69Å; K227-W254 HydrophobicContact CB-CZ2 4.06Å; K227-W254 HydrophobicContact CB-CZ3 3.73Å; K227-W254 HydrophobicContact CD-CD2 3.58Å; K227-W254 HydrophobicContact CD-CE3 3.98Å; K227-W254 HydrophobicContact CD-CG 3.88Å; K227-W254 HydrophobicContact CD-CH2 4.48Å; K227-W254 HydrophobicContact CD-CZ2 4.15Å; K227-W254 HydrophobicContact CD-CZ3 4.4Å; K227-W254 VanDerWaalsContact CE-CG 3.41Å; K227-W254 HydrophobicContact CG-CD2 3.84Å; K227-W254 HydrophobicContact CG-CE3 3.66Å; K227-W254 HydrophobicContact CG-CH2 4.15Å; K227-W254 HydrophobicContact CG-CZ2 4.32Å; K227-W254 HydrophobicContact CG-CZ3 3.82Å; W230-W254 HydrophobicContact CD2-CE3 4.2Å; W230-W254 AromaticContact CE3-CE3 3.62Å; W230-W254 HydrophobicContact CE3-CE3 3.62Å; W230-W254 HydrophobicContact CE3-CZ3 4.16Å; W230-W254 HydrophobicContact CH2-CB 4.07Å; W230-W254 HydrophobicContact CZ3-CB 3.95Å; W230-W254 AromaticContact CZ3-CE3 3.85Å; W230-W254 HydrophobicContact CZ3-CE3 3.85Å; W250-W254 WeakPolarHBondContact O-CB 3.39Å; W250-W254 PolarHBondContact O-N 3.4Å; R252-W254 VanDerWaalsContact C-N 3.26Å; R252-W254 PolarHBondContact O-N 3.4Å; W254-L257 HydrophobicContact CE3-CD1 4.2Å; W254-L257 PolarHBondContact O-N 3.22Å; W254-L258 WeakPolarHBondContact O-CG 3.15Å; W254-L258 PolarHBondContact O-N 3.39Å; W254-F293 AromaticContact CH2-CE1 3.8Å; W254-F293 HydrophobicContact CH2-CE1 3.8Å; W254-F293 HydrophobicContact CH2-CZ 4.04Å; W254-F293 HydrophobicContact CZ3-CD1 4.42Å; W254-F293 AromaticContact CZ3-CE1 3.46Å; W254-F293 HydrophobicContact CZ3-CE1 3.46Å; W254-F293 VanDerWaalsContact CZ3-CE1 3.46Å; W254-F293 AromaticContact CZ3-CZ 3.79Å; W254-F293 HydrophobicContact CZ3-CZ 3.79Å
255N98Very high96.1Very high77 Ų7760.6 Ų60.641%0.41229%0.292SS..Hα-helixtrans-76.4-27.9178-77.4-71.6000112.6E251 R252 E253 L258 K259E251-N255 PolarHBondContact O-N 3Å; E251-N255 PolarHBondContact O-ND2 3.41Å; E251-N255 PolarHBondContact OE1-ND2 3.19Å; R252-N255 PolarHBondContact O-N 3.35Å; E253-N255 PolarHBondContact O-N 2.98Å; N255-L258 PolarHBondContact O-N 2.97Å; N255-K259 WeakPolarHBondContact O-CB 3.4Å; N255-K259 PolarHBondContact O-N 2.81Å
256E97.9Very high95.6Very high87 Ų8760.8 Ų60.841%0.40729%0.292SS..Hα-helixtrans-68.2-41.7168.5-71.8-65.6135.100111.5R252 E253 L258 K259 L260R252-E256 PolarHBondContact O-N 3.46Å; E253-E256 PolarHBondContact O-N 2.94Å; E256-L258 PolarHBondContact O-N 2.75Å; E256-K259 WeakPolarHBondContact O-CA 3.17Å; E256-K259 WeakPolarHBondContact O-CB 3.4Å; E256-K259 PolarHBondContact O-N 3.4Å; E256-K259 WeakPolarHBondContact OE1-CD 3.29Å; E256-K259 IonicContact OE1-NZ 3.48Å; E256-K259 PolarHBondContact OE1-NZ 3.12Å; E256-K259 IonicContact OE2-NZ 3.99Å; E256-K259 PolarHBondContact OE2-NZ 2.9Å; E256-L260 WeakPolarHBondContact O-CG 3.36Å; E256-L260 PolarHBondContact O-N 3.13Å
257L98.1Very high94.5Very high6 Ų662.8 Ų62.83%0.03131%0.305CS..Hα-helixtrans-55.9-46.4169.3-74.3171.8000112.4M217 W230 E253 W254 K259 L260 A261 E291 F293 H294M217-L257 HydrophobicContact CE-CB 3.9Å; W230-L257 HydrophobicContact CD2-CD1 3.98Å; W230-L257 VanDerWaalsContact CE2-CD1 3.49Å; W230-L257 HydrophobicContact CG-CD1 4.28Å; W230-L257 HydrophobicContact CH2-CD1 4.48Å; W230-L257 HydrophobicContact CZ2-CD1 3.78Å; E253-L257 WeakPolarHBondContact O-CG 3.23Å; E253-L257 PolarHBondContact O-N 2.89Å; W254-L257 HydrophobicContact CE3-CD1 4.2Å; W254-L257 PolarHBondContact O-N 3.22Å; L257-K259 VanDerWaalsContact C-N 3.25Å; L257-K259 PolarHBondContact O-N 3.44Å; L257-L260 PolarHBondContact O-N 2.92Å; L257-A261 PolarHBondContact O-N 3.44Å; L257-E291 WeakPolarHBondContact CD2-OE2 3.27Å; L257-F293 HydrophobicContact CD1-CD1 4.11Å; L257-H294 VanDerWaalsContact CD2-CE1 3.47Å; L257-H294 WeakPolarHBondContact CD2-CE1 3.14Å; L257-H294 PolarHBondContact O-NE2 2.93Å
258L97.3Very high92.6Very high18 Ų1863.7 Ų63.79%0.09431%0.309CS..Hα-helixtrans-58.7-37.1174.9-78.7170.5000112.8Y214 M217 K218 W254 N255 E256 A261 S262Y214-L258 VanDerWaalsContact CD2-O 3.28Å; Y214-L258 WeakPolarHBondContact CD2-O 3.4Å; Y214-L258 WeakPolarHBondContact CE2-O 3.38Å; M217-L258 HydrophobicContact CB-CD2 3.57Å; K218-L258 HydrophobicContact CB-CD2 4.19Å; W254-L258 WeakPolarHBondContact O-CG 3.15Å; W254-L258 PolarHBondContact O-N 3.39Å; N255-L258 PolarHBondContact O-N 2.97Å; E256-L258 PolarHBondContact O-N 2.75Å; L258-A261 PolarHBondContact O-N 3.29Å; L258-S262 PolarHBondContact O-N 3.19Å; L258-S262 VanDerWaalsContact O-N 3.11Å
259K96.9Very high90.1Very high111 Ų11164.9 Ų64.948%0.48332%0.318SS..Hα-helixtrans-72.7-39.2179172.2-179.1159.7-145.40112.2N255 E256 L257 A261 S262N255-K259 WeakPolarHBondContact O-CB 3.4Å; N255-K259 PolarHBondContact O-N 2.81Å; E256-K259 WeakPolarHBondContact O-CA 3.17Å; E256-K259 WeakPolarHBondContact O-CB 3.4Å; E256-K259 PolarHBondContact O-N 3.4Å; E256-K259 WeakPolarHBondContact OE1-CD 3.29Å; E256-K259 IonicContact OE1-NZ 3.48Å; E256-K259 PolarHBondContact OE1-NZ 3.12Å; E256-K259 IonicContact OE2-NZ 3.99Å; E256-K259 PolarHBondContact OE2-NZ 2.9Å; L257-K259 VanDerWaalsContact C-N 3.25Å; L257-K259 PolarHBondContact O-N 3.44Å; K259-A261 VanDerWaalsContact C-N 3.27Å; K259-A261 PolarHBondContact O-N 2.94Å; K259-S262 VanDerWaalsContact O-CB 3.31Å; K259-S262 WeakPolarHBondContact O-CB 3.27Å; K259-S262 PolarHBondContact O-N 3.03Å; K259-S262 VanDerWaalsContact O-N 3.11Å
260L97.1Very high87.4Confident28 Ų2866.5 Ų66.515%0.14734%0.336CS..Hα-helixtrans-60-37.6170-64.7178.1000111.7R210 E256 L257 E288 L290 E291R210-L260 PolarHBondContact NH2-O 2.77Å; E256-L260 WeakPolarHBondContact O-CG 3.36Å; E256-L260 PolarHBondContact O-N 3.13Å; L257-L260 PolarHBondContact O-N 2.92Å; L260-E288 HydrophobicContact CB-CB 4.46Å; L260-E288 HydrophobicContact CD2-CB 3.81Å; L260-E288 HydrophobicContact CD2-CG 4.18Å; L260-L290 HydrophobicContact CB-CD2 4.43Å; L260-L290 VanDerWaalsContact O-CD2 3.29Å; L260-L290 WeakPolarHBondContact O-CD2 3.46Å; L260-E291 HydrophobicContact CD1-CG 4.05Å
261A96.6Very high84.7Confident0 Ų075.6 Ų75.60%038%0.376CS..Hα-helixtrans-72.7-21.1174.900000114.4L213 Y214 M217 L257 L258 K259 S263L213-A261 HydrophobicContact CD2-CB 3.93Å; Y214-A261 HydrophobicContact CD2-CB 4.08Å; M217-A261 HydrophobicContact CE-CB 4.42Å; M217-A261 HydrophobicContact SD-CB 4.13Å; L257-A261 PolarHBondContact O-N 3.44Å; L258-A261 PolarHBondContact O-N 3.29Å; K259-A261 VanDerWaalsContact C-N 3.27Å; K259-A261 PolarHBondContact O-N 2.94Å; A261-S263 PolarHBondContact O-N 3.24Å
262S95.1Very high81.6Confident9 Ų979.3 Ų79.36%0.06340%0.399CS..  trans-58.4127.9-174.1-1760000112.2R210 L258 K259 E264R210-S262 PolarHBondContact NH1-O 3.41Å; R210-S262 PolarHBondContact NH2-O 2.81Å; L258-S262 PolarHBondContact O-N 3.19Å; L258-S262 VanDerWaalsContact O-N 3.11Å; K259-S262 VanDerWaalsContact O-CB 3.31Å; K259-S262 WeakPolarHBondContact O-CB 3.27Å; K259-S262 PolarHBondContact O-N 3.03Å; K259-S262 VanDerWaalsContact O-N 3.11Å; S262-E264 PolarHBondContact O-N 3.34Å; S262-E264 PolarHBondContact OG-OE2 2.74Å
263S92.6Very high78.7Confident34 Ų3476 Ų7624%0.23841%0.408CS..SBendtrans-65.9-1.3179.659.10000115L207 A261L207-S263 WeakPolarHBondContact CD1-O 3.5Å; A261-S263 PolarHBondContact O-N 3.24Å
264E90.6Very high75.7Confident136 Ų13680.4 Ų80.464%0.63643%0.433SS*.SBendtrans-63.9137173-68.4160.7147.600110.5R210 S262R210-E264 PolarHBondContact NH1-O 3.21Å; S262-E264 PolarHBondContact O-N 3.34Å; S262-E264 PolarHBondContact OG-OE2 2.74Å
265P87.4Confident72.7Confident68 Ų6886.1 Ų86.144%0.44247%0.468SS..  trans-62.6144.3166.5-19.532.1000110.5T267 P285 Y287P265-T267 PolarHBondContact O-N 2.88Å; P265-P285 HydrophobicContact CB-CB 4.13Å; P265-P285 HydrophobicContact CG-CB 4.06Å; P265-Y287 HydrophobicContact CB-CD1 4.48Å; P265-Y287 HydrophobicContact CB-CE1 4.18Å; P265-Y287 HydrophobicContact CG-CE1 3.95Å
266R84.9Confident70Confident55 Ų5588.5 Ų88.521%0.20849%0.491CS..  trans-62.8109.3173179.6-170.3-68.8129.7-9.6108.3H268 V286 Y287 E288R266-H268 PolarHBondContact O-N 3.11Å; R266-V286 PolarHBondContact N-O 3.5Å; R266-Y287 VanDerWaalsContact CZ-O 3.32Å; R266-Y287 PolarHBondContact NH1-O 3.02Å; R266-Y287 VanDerWaalsContact NH1-O 3.16Å; R266-Y287 PolarHBondContact NH2-O 3.37Å; R266-E288 WeakPolarHBondContact CD-OE1 3.49Å; R266-E288 VanDerWaalsContact CG-OE1 3.27Å; R266-E288 WeakPolarHBondContact CG-OE1 3.37Å; R266-E288 IonicContact CZ-OE1 3.06Å; R266-E288 IonicContact CZ-OE2 2.75Å; R266-E288 VanDerWaalsContact NE-CD 3.26Å; R266-E288 IonicContact NE-OE1 3.25Å; R266-E288 PolarHBondContact NE-OE1 2.88Å; R266-E288 IonicContact NE-OE2 2.64Å; R266-E288 PolarHBondContact NE-OE2 3.38Å; R266-E288 IonicContact NH2-OE1 3.29Å; R266-E288 IonicContact NH2-OE2 3.82Å; R266-E288 PolarHBondContact NH2-OE2 3.36Å
267T71.6Confident67.2Low108 Ų10887.9 Ų87.966%0.66351%0.508SS*.  trans-61.1112.4176.747.20000109.7P265 L269P265-T267 PolarHBondContact O-N 2.88Å; T267-L269 PolarHBondContact O-N 3.42Å
268H56Low64.1Low122 Ų12291.5 Ų91.557%0.56555%0.547SS*.  trans-67.590.2159.9-99.7-99.8000107.2R266 S270 R833R266-H268 PolarHBondContact O-N 3.11Å; H268-S270 PolarHBondContact O-N 3.11Å; H268-R833 PolarHBondContact CE1-NH1 3.16Å; H268-R833 PolarHBondContact NE2-NH1 3.26Å; H268-R833 PolarHBondContact NE2-NH2 3.1Å
269L44.9Very low61.2Low151 Ų15196.7 Ų96.779%0.79158%0.579SS**  trans-65.175.6165.1-78.2164.9000108.5T267 K271T267-L269 PolarHBondContact O-N 3.42Å; L269-K271 PolarHBondContact O-N 3.07Å
270S41.2Very low58.3Low93 Ų9398.6 Ų98.665%0.6559%0.594SS**  trans-60.388.4164.5-70.90000107.6H268 N272H268-S270 PolarHBondContact O-N 3.11Å; S270-N272 PolarHBondContact O-N 3.4Å
271K39.9Very low55.5Low203 Ų203104 Ų10488%0.88362%0.624SS**SBendtrans-77.657.3-178.1-156.7177.7-172.9-179.30110.2L269L269-K271 PolarHBondContact O-N 3.07Å
272N33.8Very low53.1Low161 Ų161108.9 Ų108.986%0.86166%0.658SS**  trans-170.565.3170.9-95.5-5.8000106.6S270 N274S270-N272 PolarHBondContact O-N 3.4Å; N272-N274 PolarHBondContact O-N 3.32Å
273G36.4Very low51.4Low70 Ų70117.1 Ų117.172%0.72270%0.695SS**  trans-80.8114.8172.100000110
274N35Very low50.2Low151 Ų151119.8 Ų119.881%0.80771%0.707SS**  trans-151.9136.4151.6-130.128.1000111.2N272N272-N274 PolarHBondContact O-N 3.32Å
275T35.5Very low49.8Very low120 Ų120116.1 Ų116.174%0.73670%0.695SS**  trans52.597.2168.951.60000119.4
276S40.5Very low49.9Very low127 Ų127115.7 Ų115.789%0.88869%0.691SS**  43.1110.3112.5-47.60000119.4
277G39.1Very low50.3Low74 Ų74114.1 Ų114.176%0.76369%0.685SS**  trans16128.1166.600000116.1V279G277-V279 PolarHBondContact O-N 3.32Å
278G33.2Very low51.4Low82 Ų82111.3 Ų111.385%0.84566%0.664SS**  trans-64.9105.7-172.400000113.4
279V36.1Very low53.3Low128 Ų128108.8 Ų108.878%0.77666%0.66SS**  trans-67.5134150.7-161.10000106.5G277 N281G277-V279 PolarHBondContact O-N 3.32Å; V279-N281 PolarHBondContact O-N 3.07Å
280D37Very low55.8Low150 Ų150102.1 Ų102.180%0.80263%0.625SS**  trans-77.465.8-162.8-154.812.5000113.2S282D280-S282 VanDerWaalsContact C-N 3.29Å; D280-S282 PolarHBondContact O-N 3.02Å
281N38.5Very low58.4Low143 Ų143102 Ų10277%0.76561%0.614SS**  trans-7385.2166.9-78-13.1000108.4V279 E283V279-N281 PolarHBondContact O-N 3.07Å; N281-E283 VanDerWaalsContact C-N 3.31Å; N281-E283 PolarHBondContact O-N 3.41Å
282S46.7Very low61.1Low102 Ų10293.7 Ų93.771%0.71358%0.579SS**  trans-70.182.2176.263.70000111.3D280 D284D280-S282 VanDerWaalsContact C-N 3.29Å; D280-S282 PolarHBondContact O-N 3.02Å; S282-D284 PolarHBondContact O-N 3.46Å
283E58.5Low64.2Low182 Ų18286.1 Ų86.185%0.8554%0.538SS*.PPolyproline II helixtrans-61.1126.2165.6-64.4-169.2145.600109N281N281-E283 VanDerWaalsContact C-N 3.31Å; N281-E283 PolarHBondContact O-N 3.41Å
284D68.1Low67.2Low90 Ų9082.8 Ų82.848%0.48150%0.504SS..PPolyproline II helixtrans-58.5132.7-179.4-116.1-4.1000108.5R205 S282 V286R205-D284 IonicContact CZ-OD2 2.79Å; R205-D284 IonicContact NH1-OD1 3.59Å; R205-D284 IonicContact NH1-OD2 2.92Å; R205-D284 PolarHBondContact NH1-OD2 2.95Å; R205-D284 IonicContact NH2-OD2 2.82Å; R205-D284 PolarHBondContact NH2-OD2 2.98Å; S282-D284 PolarHBondContact O-N 3.46Å; D284-V286 PolarHBondContact O-N 3.06Å; D284-V286 VanDerWaalsContact O-N 3.15Å
285P81.4Confident70.2Confident58 Ų5875.6 Ų75.638%0.37747%0.466SS..PPolyproline II helixtrans-64.6116.7-16823.9-34.6000112.3P265 Y287P265-P285 HydrophobicContact CB-CB 4.13Å; P265-P285 HydrophobicContact CG-CB 4.06Å; P285-Y287 HydrophobicContact CB-CE1 4.45Å; P285-Y287 HydrophobicContact CB-CE2 4.45Å; P285-Y287 HydrophobicContact CG-CE2 4.3Å; P285-Y287 VanDerWaalsContact CG-OH 3.28Å; P285-Y287 WeakPolarHBondContact CG-OH 3.26Å; P285-Y287 VanDerWaalsContact O-CD2 3.27Å; P285-Y287 WeakPolarHBondContact O-CD2 3.45Å; P285-Y287 WeakPolarHBondContact O-CE2 3.34Å
286V89.1Confident73.2Confident59 Ų5969.9 Ų69.936%0.35843%0.43SS..PPolyproline II helixtrans-81.7137.2178.4-177.90000110.9R266 D284R266-V286 PolarHBondContact N-O 3.5Å; D284-V286 PolarHBondContact O-N 3.06Å; D284-V286 VanDerWaalsContact O-N 3.15Å
287Y93.1Very high76Confident23 Ų2363.9 Ų63.99%0.0939%0.388CS..  trans-112.3175.9-176.3-61.5-63.8000112.8D187 N189 L207 P265 R266 P285D187-Y287 PolarHBondContact O-N 3.42Å; N189-Y287 HydrophobicContact CB-CD2 3.88Å; L207-Y287 HydrophobicContact CD1-CE1 3.9Å; L207-Y287 HydrophobicContact CD2-CE1 4.48Å; L207-Y287 HydrophobicContact CD2-CE2 3.88Å; P265-Y287 HydrophobicContact CB-CD1 4.48Å; P265-Y287 HydrophobicContact CB-CE1 4.18Å; P265-Y287 HydrophobicContact CG-CE1 3.95Å; R266-Y287 VanDerWaalsContact CZ-O 3.32Å; R266-Y287 PolarHBondContact NH1-O 3.02Å; R266-Y287 VanDerWaalsContact NH1-O 3.16Å; R266-Y287 PolarHBondContact NH2-O 3.37Å; P285-Y287 HydrophobicContact CB-CE1 4.45Å; P285-Y287 HydrophobicContact CB-CE2 4.45Å; P285-Y287 HydrophobicContact CG-CE2 4.3Å; P285-Y287 VanDerWaalsContact CG-OH 3.28Å; P285-Y287 WeakPolarHBondContact CG-OH 3.26Å; P285-Y287 VanDerWaalsContact O-CD2 3.27Å; P285-Y287 WeakPolarHBondContact O-CD2 3.45Å; P285-Y287 WeakPolarHBondContact O-CE2 3.34Å
288E95.3Very high78.8Confident49 Ų4960.3 Ų60.323%0.22935%0.352CS..  trans-81.5140.5169.3-66.9-58.1156.500111.2L260 R266L260-E288 HydrophobicContact CB-CB 4.46Å; L260-E288 HydrophobicContact CD2-CB 3.81Å; L260-E288 HydrophobicContact CD2-CG 4.18Å; R266-E288 WeakPolarHBondContact CD-OE1 3.49Å; R266-E288 VanDerWaalsContact CG-OE1 3.27Å; R266-E288 WeakPolarHBondContact CG-OE1 3.37Å; R266-E288 IonicContact CZ-OE1 3.06Å; R266-E288 IonicContact CZ-OE2 2.75Å; R266-E288 VanDerWaalsContact NE-CD 3.26Å; R266-E288 IonicContact NE-OE1 3.25Å; R266-E288 PolarHBondContact NE-OE1 2.88Å; R266-E288 IonicContact NE-OE2 2.64Å; R266-E288 PolarHBondContact NE-OE2 3.38Å; R266-E288 IonicContact NH2-OE1 3.29Å; R266-E288 IonicContact NH2-OE2 3.82Å; R266-E288 PolarHBondContact NH2-OE2 3.36Å
289S95.1Very high81.9Confident68 Ų6856.4 Ų56.448%0.47631%0.312SS..  trans-74.5152.1178.4-56.70000111.3
290L97.4Very high84.8Confident11 Ų1150.4 Ų50.46%0.05828%0.275CS..  trans-111.2123.6-171.9-61.4-180000112.9L191 L192 L260 H294L191-L290 HydrophobicContact CB-CD1 4.46Å; L191-L290 HydrophobicContact CD2-CB 3.88Å; L191-L290 HydrophobicContact CD2-CD1 4Å; L192-L290 HydrophobicContact CD1-CD1 3.85Å; L192-L290 HydrophobicContact CD2-CD1 4.41Å; L192-L290 HydrophobicContact CG-CD1 3.95Å; L260-L290 HydrophobicContact CB-CD2 4.43Å; L260-L290 VanDerWaalsContact O-CD2 3.29Å; L260-L290 WeakPolarHBondContact O-CD2 3.46Å; L290-H294 HydrophobicContact CB-CB 3.91Å; L290-H294 HydrophobicContact CD1-CB 4.47Å; L290-H294 HydrophobicContact CD2-CB 4.41Å; L290-H294 HydrophobicContact CG-CB 4.49Å
291E96.8Very high87.6Confident90 Ų9043.7 Ų43.742%0.42124%0.24SC..  trans-73.8169.5175.9-58.6176.9178.600113.9L257 L260 F293 H294L257-E291 WeakPolarHBondContact CD2-OE2 3.27Å; L260-E291 HydrophobicContact CD1-CG 4.05Å; E291-F293 PolarHBondContact O-N 3.06Å; E291-F293 VanDerWaalsContact O-N 3.13Å; E291-H294 PolarHBondContact N-ND1 2.95Å; E291-H294 VanDerWaalsContact O-CB 3.32Å; E291-H294 WeakPolarHBondContact O-CB 3.47Å; E291-H294 PolarHBondContact O-N 3.33Å; E291-H294 PolarHBondContact O-ND1 3.48Å; E291-H294 VanDerWaalsContact O-ND1 3.12Å
292E97.3Very high90.2Very high29 Ų2937 Ų3714%0.13620%0.203CC..Hα-helixtrans-61.3-25.9-172.468-86.5-159.800114.5H294 V295 F296 P326 F327 Y331 F387E292-H294 VanDerWaalsContact C-N 3.29Å; E292-H294 PolarHBondContact O-N 2.92Å; E292-V295 WeakPolarHBondContact O-CB 3.27Å; E292-V295 PolarHBondContact O-N 3.02Å; E292-F296 PolarHBondContact O-N 3.37Å; E292-P326 HydrophobicContact CG-CB 4.23Å; E292-P326 WeakPolarHBondContact OE1-CB 3.27Å; E292-P326 WeakPolarHBondContact OE2-CG 3.41Å; E292-F327 HydrophobicContact CB-CD1 3.83Å; E292-F327 HydrophobicContact CB-CE1 4.06Å; E292-F327 VanDerWaalsContact N-CE1 3.3Å; E292-Y331 HydrophobicContact CB-CE1 4.38Å; E292-Y331 WeakPolarHBondContact CB-OH 3.27Å; E292-Y331 WeakPolarHBondContact O-CE1 3.42Å; E292-F387 HydrophobicContact CG-CE2 4.17Å; E292-F387 HydrophobicContact CG-CZ 4.06Å
293F98.6Very high92.5Very high3 Ų334.4 Ų34.41%0.01318%0.178CC..Hα-helixtrans-66.4-32.4174.2-179-114.1000112.1M217 L226 W230 W254 L257 E291 V295 F296 V297 F387M217-F293 HydrophobicContact CE-CD1 4.29Å; M217-F293 HydrophobicContact CE-CE1 4.13Å; L226-F293 HydrophobicContact CB-CE2 4.46Å; L226-F293 HydrophobicContact CB-CZ 3.97Å; L226-F293 WeakPolarHBondContact O-CE2 3.35Å; L226-F293 WeakPolarHBondContact O-CZ 3.29Å; W230-F293 HydrophobicContact CB-CD1 4.49Å; W230-F293 HydrophobicContact CB-CD2 3.75Å; W230-F293 HydrophobicContact CB-CE1 4.37Å; W230-F293 HydrophobicContact CB-CE2 3.6Å; W230-F293 HydrophobicContact CB-CG 4.19Å; W230-F293 HydrophobicContact CB-CZ 3.91Å; W230-F293 HydrophobicContact CG-CD2 4.39Å; W230-F293 HydrophobicContact CG-CG 4.38Å; W254-F293 AromaticContact CH2-CE1 3.8Å; W254-F293 HydrophobicContact CH2-CE1 3.8Å; W254-F293 HydrophobicContact CH2-CZ 4.04Å; W254-F293 HydrophobicContact CZ3-CD1 4.42Å; W254-F293 AromaticContact CZ3-CE1 3.46Å; W254-F293 HydrophobicContact CZ3-CE1 3.46Å; W254-F293 VanDerWaalsContact CZ3-CE1 3.46Å; W254-F293 AromaticContact CZ3-CZ 3.79Å; W254-F293 HydrophobicContact CZ3-CZ 3.79Å; L257-F293 HydrophobicContact CD1-CD1 4.11Å; E291-F293 PolarHBondContact O-N 3.06Å; E291-F293 VanDerWaalsContact O-N 3.13Å; F293-V295 VanDerWaalsContact C-N 3.27Å; F293-V295 PolarHBondContact O-N 3.04Å; F293-F296 HydrophobicContact CD2-CB 4.37Å; F293-F296 HydrophobicContact CD2-CD1 4.2Å; F293-F296 AromaticContact CE2-CD1 3.92Å; F293-F296 HydrophobicContact CE2-CD1 3.92Å; F293-F296 WeakPolarHBondContact O-CA 3.11Å; F293-F296 WeakPolarHBondContact O-CB 3.5Å; F293-F296 PolarHBondContact O-N 3.29Å; F293-F296 VanDerWaalsContact O-N 3.1Å; F293-V297 HydrophobicContact CD1-CG2 4.2Å; F293-V297 HydrophobicContact CE1-CG2 3.75Å; F293-V297 HydrophobicContact CE2-CG2 4.26Å; F293-V297 HydrophobicContact CZ-CG2 3.8Å; F293-V297 WeakPolarHBondContact O-CG2 3.45Å; F293-V297 PolarHBondContact O-N 2.73Å; F293-F387 HydrophobicContact CB-CE1 4.43Å; F293-F387 HydrophobicContact CB-CE2 4.19Å; F293-F387 HydrophobicContact CB-CZ 3.79Å; F293-F387 HydrophobicContact CD2-CD1 4.15Å; F293-F387 HydrophobicContact CD2-CD2 4.31Å; F293-F387 AromaticContact CD2-CE1 3.93Å; F293-F387 HydrophobicContact CD2-CE1 3.93Å; F293-F387 HydrophobicContact CD2-CE2 4.11Å; F293-F387 HydrophobicContact CD2-CG 4.34Å; F293-F387 AromaticContact CD2-CZ 3.91Å; F293-F387 HydrophobicContact CD2-CZ 3.91Å; F293-F387 HydrophobicContact CG-CZ 4.33Å
294H98.7Very high94.3Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-67.1-30.6174.2-52.295.3000111.6L191 L213 L257 L290 E291 E292 F296 V297 L298L191-H294 HydrophobicContact CD2-CB 4.41Å; L213-H294 HydrophobicContact CD1-CB 4.26Å; L213-H294 HydrophobicContact CD2-CB 4.27Å; L257-H294 VanDerWaalsContact CD2-CE1 3.47Å; L257-H294 WeakPolarHBondContact CD2-CE1 3.14Å; L257-H294 PolarHBondContact O-NE2 2.93Å; L290-H294 HydrophobicContact CB-CB 3.91Å; L290-H294 HydrophobicContact CD1-CB 4.47Å; L290-H294 HydrophobicContact CD2-CB 4.41Å; L290-H294 HydrophobicContact CG-CB 4.49Å; E291-H294 PolarHBondContact N-ND1 2.95Å; E291-H294 VanDerWaalsContact O-CB 3.32Å; E291-H294 WeakPolarHBondContact O-CB 3.47Å; E291-H294 PolarHBondContact O-N 3.33Å; E291-H294 PolarHBondContact O-ND1 3.48Å; E291-H294 VanDerWaalsContact O-ND1 3.12Å; E292-H294 VanDerWaalsContact C-N 3.29Å; E292-H294 PolarHBondContact O-N 2.92Å; H294-F296 VanDerWaalsContact C-N 3.33Å; H294-V297 PolarHBondContact O-N 2.73Å; H294-L298 VanDerWaalsContact O-CB 3.24Å; H294-L298 WeakPolarHBondContact O-CB 3.32Å; H294-L298 PolarHBondContact O-N 3.15Å
295V98.8Very high95.7Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-65.2-39.2171.3-169.90000110.6L191 E292 F293 L298 A299 I306 V308 F327 Y331 F355L191-V295 HydrophobicContact CD1-CG2 3.98Å; L191-V295 HydrophobicContact CD2-CG2 3.81Å; E292-V295 WeakPolarHBondContact O-CB 3.27Å; E292-V295 PolarHBondContact O-N 3.02Å; F293-V295 VanDerWaalsContact C-N 3.27Å; F293-V295 PolarHBondContact O-N 3.04Å; V295-L298 PolarHBondContact O-N 3.36Å; V295-A299 PolarHBondContact O-N 3.4Å; V295-A299 VanDerWaalsContact O-N 3.08Å; V295-I306 HydrophobicContact CG1-CB 4.42Å; V295-I306 HydrophobicContact CG1-CD1 4.33Å; V295-I306 HydrophobicContact CG1-CG2 4.08Å; V295-V308 HydrophobicContact CG1-CG2 4.01Å; V295-F327 HydrophobicContact CG2-CD1 4.35Å; V295-Y331 HydrophobicContact CB-CD1 4.11Å; V295-Y331 HydrophobicContact CB-CD2 4.47Å; V295-Y331 HydrophobicContact CB-CE1 3.94Å; V295-Y331 HydrophobicContact CB-CE2 4.33Å; V295-Y331 HydrophobicContact CB-CG 4.37Å; V295-Y331 HydrophobicContact CG1-CD1 4.1Å; V295-Y331 HydrophobicContact CG1-CD2 3.68Å; V295-Y331 HydrophobicContact CG1-CE1 4.19Å; V295-Y331 HydrophobicContact CG1-CE2 3.8Å; V295-Y331 HydrophobicContact CG1-CG 3.84Å; V295-F355 HydrophobicContact CG2-CE1 4.43Å; V295-F355 HydrophobicContact CG2-CZ 3.99Å
296F98.8Very high96.6Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-65.2-44.9174.5-172.1-113.2000112.4L226 R229 E292 F293 H294 A299 H300 Y331 L332 L334 F387L226-F296 HydrophobicContact CD2-CD1 4.02Å; L226-F296 HydrophobicContact CD2-CE1 3.67Å; R229-F296 HydrophobicContact CB-CE1 4.41Å; E292-F296 PolarHBondContact O-N 3.37Å; F293-F296 HydrophobicContact CD2-CB 4.37Å; F293-F296 HydrophobicContact CD2-CD1 4.2Å; F293-F296 AromaticContact CE2-CD1 3.92Å; F293-F296 HydrophobicContact CE2-CD1 3.92Å; F293-F296 WeakPolarHBondContact O-CA 3.11Å; F293-F296 WeakPolarHBondContact O-CB 3.5Å; F293-F296 PolarHBondContact O-N 3.29Å; F293-F296 VanDerWaalsContact O-N 3.1Å; H294-F296 VanDerWaalsContact C-N 3.33Å; F296-A299 WeakPolarHBondContact O-CB 3.15Å; F296-A299 PolarHBondContact O-N 2.69Å; F296-H300 AromaticContact CD1-CE1 3.96Å; F296-H300 AromaticContact CE1-CE1 3.54Å; F296-H300 AromaticContact CE2-CE1 3.79Å; F296-H300 AromaticContact CZ-CE1 3.45Å; F296-H300 VanDerWaalsContact CZ-CE1 3.45Å; F296-H300 WeakPolarHBondContact CZ-CE1 3.47Å; F296-H300 PolarHBondContact O-N 2.74Å; F296-H300 PolarHBondContact O-ND1 2.89Å; F296-Y331 HydrophobicContact CB-CD1 3.9Å; F296-Y331 HydrophobicContact CD2-CD1 4.31Å; F296-L332 WeakPolarHBondContact CE2-O 3.16Å; F296-L334 HydrophobicContact CE2-CD1 4.28Å; F296-L334 HydrophobicContact CE2-CG 4.47Å; F296-L334 HydrophobicContact CZ-CB 4.43Å; F296-L334 HydrophobicContact CZ-CD1 4.32Å; F296-F387 HydrophobicContact CB-CD2 3.52Å; F296-F387 HydrophobicContact CB-CE2 3.99Å; F296-F387 HydrophobicContact CB-CG 4.36Å; F296-F387 HydrophobicContact CD1-CB 3.75Å; F296-F387 HydrophobicContact CD1-CD2 4.01Å; F296-F387 HydrophobicContact CD1-CG 4.01Å; F296-F387 HydrophobicContact CD2-CB 3.83Å; F296-F387 AromaticContact CD2-CD2 3.93Å; F296-F387 HydrophobicContact CD2-CD2 3.93Å; F296-F387 HydrophobicContact CD2-CG 4.33Å; F296-F387 HydrophobicContact CE1-CB 3.61Å; F296-F387 HydrophobicContact CE1-CG 4.35Å; F296-F387 HydrophobicContact CE2-CB 3.7Å; F296-F387 HydrophobicContact CG-CB 3.85Å; F296-F387 AromaticContact CG-CD2 3.56Å; F296-F387 HydrophobicContact CG-CD2 3.56Å; F296-F387 HydrophobicContact CG-CE2 4.48Å; F296-F387 AromaticContact CG-CG 3.99Å; F296-F387 HydrophobicContact CG-CG 3.99Å; F296-F387 HydrophobicContact CZ-CB 3.58Å
297V98.6Very high97Very high0 Ų016.1 Ų16.10%08%0.081CC..Hα-helixtrans-62.7-42.3174.2176.70000110.8L213 M216 M217 L226 F293 H294 A299 H300 V301L213-V297 HydrophobicContact CD2-CB 4.43Å; L213-V297 HydrophobicContact CD2-CG1 4.11Å; L213-V297 HydrophobicContact CG-CB 4.32Å; L213-V297 HydrophobicContact CG-CG1 3.88Å; M216-V297 HydrophobicContact CB-CG1 4.19Å; M216-V297 HydrophobicContact CG-CG1 4.09Å; M216-V297 HydrophobicContact SD-CG1 3.89Å; M217-V297 HydrophobicContact CG-CB 4.36Å; M217-V297 HydrophobicContact CG-CG1 3.84Å; M217-V297 HydrophobicContact CG-CG2 3.77Å; M217-V297 HydrophobicContact SD-CB 4.38Å; M217-V297 HydrophobicContact SD-CG1 4.25Å; M217-V297 HydrophobicContact SD-CG2 3.95Å; L226-V297 HydrophobicContact CD1-CG2 4.48Å; F293-V297 HydrophobicContact CD1-CG2 4.2Å; F293-V297 HydrophobicContact CE1-CG2 3.75Å; F293-V297 HydrophobicContact CE2-CG2 4.26Å; F293-V297 HydrophobicContact CZ-CG2 3.8Å; F293-V297 WeakPolarHBondContact O-CG2 3.45Å; F293-V297 PolarHBondContact O-N 2.73Å; H294-V297 PolarHBondContact O-N 2.73Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 3.04Å; V297-H300 WeakPolarHBondContact O-CA 3.27Å; V297-H300 WeakPolarHBondContact O-CB 3.43Å; V297-H300 PolarHBondContact O-N 2.67Å; V297-V301 HydrophobicContact CG1-CG2 4.37Å; V297-V301 PolarHBondContact O-N 3.22Å
298L98.3Very high97.3Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-58.8-39.3177.2-176.361.8000112.1L191 L192 A195 L213 H294 V295 H300 V301 L302 I306L191-L298 HydrophobicContact CD1-CD2 4.18Å; L191-L298 HydrophobicContact CG-CD2 4.12Å; L192-L298 HydrophobicContact CD2-CD1 3.72Å; L192-L298 HydrophobicContact CD2-CD2 3.62Å; L192-L298 HydrophobicContact CD2-CG 4.22Å; A195-L298 HydrophobicContact CB-CD2 3.85Å; L213-L298 HydrophobicContact CD1-CB 4.09Å; L213-L298 HydrophobicContact CD1-CD1 4.43Å; H294-L298 VanDerWaalsContact O-CB 3.24Å; H294-L298 WeakPolarHBondContact O-CB 3.32Å; H294-L298 PolarHBondContact O-N 3.15Å; V295-L298 PolarHBondContact O-N 3.36Å; L298-H300 PolarHBondContact O-N 2.92Å; L298-V301 PolarHBondContact O-N 3.08Å; L298-L302 HydrophobicContact CD1-CD1 4.12Å; L298-L302 HydrophobicContact CD1-CD2 4.48Å; L298-L302 HydrophobicContact CD1-CG 4.05Å; L298-L302 HydrophobicContact CG-CD1 4.04Å; L298-L302 HydrophobicContact CG-CG 4.32Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 VanDerWaalsContact O-CG 3.32Å; L298-L302 WeakPolarHBondContact O-CG 3.2Å; L298-L302 PolarHBondContact O-N 3.29Å; L298-I306 HydrophobicContact CB-CD1 4.04Å; L298-I306 HydrophobicContact CD2-CD1 3.92Å; L298-I306 HydrophobicContact CG-CD1 3.81Å
299A98.1Very high97.4Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-58.2-35.1173.800000112.3V295 F296 V297 R303 R304 I306V295-A299 PolarHBondContact O-N 3.4Å; V295-A299 VanDerWaalsContact O-N 3.08Å; F296-A299 WeakPolarHBondContact O-CB 3.15Å; F296-A299 PolarHBondContact O-N 2.69Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 3.04Å; A299-R303 CarbonylContact O-C 3.54Å; A299-R303 VanDerWaalsContact O-CA 3.29Å; A299-R303 WeakPolarHBondContact O-CA 3.44Å; A299-R303 PolarHBondContact O-N 3.46Å; A299-R304 WeakPolarHBondContact CA-O 3.36Å; A299-R304 PolarHBondContact O-N 2.76Å; A299-I306 HydrophobicContact CB-CD1 4.07Å; A299-I306 HydrophobicContact CB-CG1 3.97Å
300H96.8Very high97.6Very high1 Ų110.7 Ų10.71%0.0055%0.052CC..Hα-helixtrans-75-41.2175.6-66.274.8000112.6M216 F296 V297 L298 L302 R303 L332 P333 L334 E335M216-H300 HydrophobicContact CE-CB 4.15Å; M216-H300 HydrophobicContact SD-CB 3.58Å; M216-H300 VanDerWaalsContact SD-CB 3.58Å; F296-H300 AromaticContact CD1-CE1 3.96Å; F296-H300 AromaticContact CE1-CE1 3.54Å; F296-H300 AromaticContact CE2-CE1 3.79Å; F296-H300 AromaticContact CZ-CE1 3.45Å; F296-H300 VanDerWaalsContact CZ-CE1 3.45Å; F296-H300 WeakPolarHBondContact CZ-CE1 3.47Å; F296-H300 PolarHBondContact O-N 2.74Å; F296-H300 PolarHBondContact O-ND1 2.89Å; V297-H300 WeakPolarHBondContact O-CA 3.27Å; V297-H300 WeakPolarHBondContact O-CB 3.43Å; V297-H300 PolarHBondContact O-N 2.67Å; L298-H300 PolarHBondContact O-N 2.92Å; H300-L302 VanDerWaalsContact C-N 3.3Å; H300-L302 PolarHBondContact O-N 3.36Å; H300-R303 WeakPolarHBondContact O-CG 3.21Å; H300-R303 PolarHBondContact O-N 2.95Å; H300-R303 VanDerWaalsContact O-N 3.16Å; H300-L332 PolarHBondContact CE1-O 3.35Å; H300-P333 VanDerWaalsContact NE2-C 3.26Å; H300-P333 WeakPolarHBondContact NE2-CA 3.31Å; H300-L334 PolarHBondContact NE2-N 2.99Å; H300-E335 PolarHBondContact NE2-N 3.49Å
301V95.3Very high97.4Very high10 Ų1011.2 Ų11.26%0.0616%0.055CC..Hα-helixtrans-56.3-46.2173174.40000110.7L213 M216 V297 L298 R303L213-V301 HydrophobicContact CB-CG2 4.42Å; M216-V301 HydrophobicContact CB-CG2 4.29Å; M216-V301 HydrophobicContact CE-CG2 3.92Å; M216-V301 HydrophobicContact SD-CG2 3.78Å; V297-V301 HydrophobicContact CG1-CG2 4.37Å; V297-V301 PolarHBondContact O-N 3.22Å; L298-V301 PolarHBondContact O-N 3.08Å; V301-R303 VanDerWaalsContact C-N 3.34Å
302L94.1Very high97.2Very high1 Ų110.6 Ų10.61%0.0056%0.057CC..THydrogen-bonded Turntrans-81.3-11.2179.6-58.3-177.6000113.9M126 M199 L209 L298 H300 R304 I306 L346M126-L302 HydrophobicContact SD-CD2 4.39Å; M199-L302 HydrophobicContact CE-CD1 3.89Å; M199-L302 HydrophobicContact CE-CD2 3.52Å; M199-L302 HydrophobicContact CE-CG 4.35Å; M199-L302 HydrophobicContact SD-CD1 3.99Å; M199-L302 HydrophobicContact SD-CD2 3.92Å; M199-L302 HydrophobicContact SD-CG 4.48Å; L209-L302 HydrophobicContact CD2-CD2 3.77Å; L298-L302 HydrophobicContact CD1-CD1 4.12Å; L298-L302 HydrophobicContact CD1-CD2 4.48Å; L298-L302 HydrophobicContact CD1-CG 4.05Å; L298-L302 HydrophobicContact CG-CD1 4.04Å; L298-L302 HydrophobicContact CG-CG 4.32Å; L298-L302 WeakPolarHBondContact O-CB 3.35Å; L298-L302 VanDerWaalsContact O-CG 3.32Å; L298-L302 WeakPolarHBondContact O-CG 3.2Å; L298-L302 PolarHBondContact O-N 3.29Å; H300-L302 VanDerWaalsContact C-N 3.3Å; H300-L302 PolarHBondContact O-N 3.36Å; L302-R304 HydrophobicContact CB-CB 3.93Å; L302-R304 WeakPolarHBondContact O-CB 3.49Å; L302-R304 PolarHBondContact O-N 3.07Å; L302-R304 VanDerWaalsContact O-N 3.12Å; L302-I306 HydrophobicContact CD1-CD1 4.43Å; L302-L346 HydrophobicContact CD1-CD2 3.82Å
303R95.2Very high97Very high49 Ų4912.8 Ų12.819%0.1857%0.068CC..THydrogen-bonded Turntrans46.436.5-168.2-56.5-175.2179.7179.17.4112.9A299 H300 V301 V336 R340 C341 H342A299-R303 CarbonylContact O-C 3.54Å; A299-R303 VanDerWaalsContact O-CA 3.29Å; A299-R303 WeakPolarHBondContact O-CA 3.44Å; A299-R303 PolarHBondContact O-N 3.46Å; H300-R303 WeakPolarHBondContact O-CG 3.21Å; H300-R303 PolarHBondContact O-N 2.95Å; H300-R303 VanDerWaalsContact O-N 3.16Å; V301-R303 VanDerWaalsContact C-N 3.34Å; R303-V336 HydrophobicContact CG-CG1 4.25Å; R303-V336 HydrophobicContact CG-CG2 4.42Å; R303-R340 WeakPolarHBondContact CD-O 3.39Å; R303-C341 CarbonylContact O-C 3.59Å; R303-C341 WeakPolarHBondContact O-CA 3.34Å; R303-C341 VanDerWaalsContact O-CB 3.29Å; R303-C341 WeakPolarHBondContact O-CB 3.45Å; R303-H342 PolarHBondContact O-N 2.91Å
304R95.9Very high96.6Very high1 Ų116.9 Ų16.90%0.0049%0.09CC..SBendtrans-139.4127.3-167.8-172.6170.2177.3-172.5-12.1108.8P127 Y129 T130 A299 L302 H342 S344 P345P127-R304 PolarHBondContact O-NH1 2.79Å; Y129-R304 PolarHBondContact O-NH1 2.82Å; T130-R304 PolarHBondContact OG1-NH2 3.44Å; A299-R304 WeakPolarHBondContact CA-O 3.36Å; A299-R304 PolarHBondContact O-N 2.76Å; L302-R304 HydrophobicContact CB-CB 3.93Å; L302-R304 WeakPolarHBondContact O-CB 3.49Å; L302-R304 PolarHBondContact O-N 3.07Å; L302-R304 VanDerWaalsContact O-N 3.12Å; R304-H342 HydrophobicContact CB-CB 4.44Å; R304-H342 HydrophobicContact CG-CB 4.22Å; R304-S344 VanDerWaalsContact CG-O 3.26Å; R304-S344 WeakPolarHBondContact CG-O 3.39Å; R304-S344 PolarHBondContact NE-O 3.3Å; R304-P345 PolarHBondContact NH2-O 3.01Å
305P97.9Very high96.1Very high0 Ų023.5 Ų23.50%012%0.115CC..  trans-52.8141173.5-28.937.7000111.9Y331 L332 H342 P345 L346 Y424 M425P305-Y331 CarbonylContact C-O 3.56Å; P305-Y331 WeakPolarHBondContact CA-O 3.45Å; P305-L332 HydrophobicContact CB-CD2 3.78Å; P305-L332 HydrophobicContact CG-CD2 3.98Å; P305-H342 WeakPolarHBondContact CD-O 3.11Å; P305-P345 HydrophobicContact CB-CB 4.22Å; P305-P345 CarbonylContact O-C 3.55Å; P305-P345 VanDerWaalsContact O-CA 3.22Å; P305-P345 WeakPolarHBondContact O-CA 3.44Å; P305-L346 PolarHBondContact O-N 2.92Å; P305-Y424 WeakPolarHBondContact CG-O 3.48Å; P305-M425 HydrophobicContact CB-CG 4.02Å; P305-M425 HydrophobicContact CB-SD 4.23Å; P305-M425 HydrophobicContact CG-CG 3.81Å
306I98.6Very high95.6Very high1 Ų127.2 Ų27.21%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-116.2131.3172.6-52.5-179000108.5V295 L298 A299 L302 V308 Y331 L346 L348V295-I306 HydrophobicContact CG1-CB 4.42Å; V295-I306 HydrophobicContact CG1-CD1 4.33Å; V295-I306 HydrophobicContact CG1-CG2 4.08Å; L298-I306 HydrophobicContact CB-CD1 4.04Å; L298-I306 HydrophobicContact CD2-CD1 3.92Å; L298-I306 HydrophobicContact CG-CD1 3.81Å; A299-I306 HydrophobicContact CB-CD1 4.07Å; A299-I306 HydrophobicContact CB-CG1 3.97Å; L302-I306 HydrophobicContact CD1-CD1 4.43Å; I306-V308 HydrophobicContact CG2-CG2 4.1Å; I306-Y331 PolarHBondContact N-O 3.2Å; I306-Y331 PolarHBondContact O-N 3.47Å; I306-L346 WeakPolarHBondContact CA-O 3.25Å; I306-L346 HydrophobicContact CD1-CD2 4.31Å; I306-L346 HydrophobicContact CG1-CB 4.39Å; I306-L346 HydrophobicContact CG1-CD2 4.32Å; I306-L348 HydrophobicContact CG2-CD1 3.77Å; I306-L348 HydrophobicContact CG2-CG 4.05Å
307V98.7Very high95.2Very high2 Ų233.8 Ų33.81%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-112123.2172.5-1780000108.1L330 P345 L346 V347 L348 I373 M425V307-L330 HydrophobicContact CB-CD2 4.31Å; V307-L330 HydrophobicContact CG1-CD2 3.92Å; V307-L330 HydrophobicContact CG2-CD2 3.72Å; V307-P345 HydrophobicContact CG2-CB 3.84Å; V307-P345 HydrophobicContact CG2-CG 4.35Å; V307-L346 PolarHBondContact N-O 2.9Å; V307-V347 HydrophobicContact CB-CG1 4.46Å; V307-V347 WeakPolarHBondContact O-CA 3.27Å; V307-L348 PolarHBondContact O-N 2.96Å; V307-I373 HydrophobicContact CB-CG1 4.34Å; V307-I373 HydrophobicContact CG1-CG1 3.73Å; V307-I373 HydrophobicContact CG2-CG2 4.29Å; V307-M425 HydrophobicContact CG2-CE 4.16Å
308V98.8Very high94.7Very high3 Ų336.9 Ų36.92%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-111.9120.8179.6-1780000109.7V295 I306 F327 G329 Y331 L348 F355V295-V308 HydrophobicContact CG1-CG2 4.01Å; I306-V308 HydrophobicContact CG2-CG2 4.1Å; V308-F327 VanDerWaalsContact CB-O 3.23Å; V308-F327 WeakPolarHBondContact CB-O 3.45Å; V308-F327 HydrophobicContact CG1-CB 4.27Å; V308-F327 VanDerWaalsContact CG1-O 3.29Å; V308-F327 WeakPolarHBondContact CG1-O 3.29Å; V308-G329 PolarHBondContact N-O 2.82Å; V308-G329 PolarHBondContact O-N 2.82Å; V308-Y331 HydrophobicContact CB-CE2 4.13Å; V308-Y331 HydrophobicContact CG2-CD2 3.99Å; V308-Y331 HydrophobicContact CG2-CE2 3.61Å; V308-L348 WeakPolarHBondContact CA-O 3.47Å; V308-L348 HydrophobicContact CG2-CB 4.38Å; V308-F355 HydrophobicContact CG1-CE1 4.22Å
309V98.6Very high94.1Very high15 Ų1538.4 Ų38.49%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-94.8121.3174.9-176.40000109L160 R165 L166 V347 L348 A349 Y350 L358 I373L160-V309 HydrophobicContact CD1-CG1 4.46Å; R165-V309 HydrophobicContact CB-CG1 4.07Å; R165-V309 WeakPolarHBondContact O-CG1 3.15Å; L166-V309 HydrophobicContact CB-CG1 4.33Å; V309-V347 HydrophobicContact CG2-CG1 4.49Å; V309-L348 PolarHBondContact N-O 3.03Å; V309-A349 CarbonylContact O-C 3.58Å; V309-A349 WeakPolarHBondContact O-CA 3.47Å; V309-Y350 PolarHBondContact O-N 3.22Å; V309-L358 HydrophobicContact CB-CD1 3.89Å; V309-L358 HydrophobicContact CG2-CD1 3.67Å; V309-I373 HydrophobicContact CG2-CD1 3.94Å
310A97.6Very high93.7Very high9 Ų945 Ų457%0.07426%0.259CS..  trans-147.2165.7178.700000109.9R165 I325 Y350R165-A310 WeakPolarHBondContact CD-O 3.45Å; R165-A310 WeakPolarHBondContact CG-O 3.5Å; A310-I325 HydrophobicContact CB-CG2 4.25Å; A310-Y350 WeakPolarHBondContact CA-O 3.2Å; A310-Y350 HydrophobicContact CB-CD1 4.19Å; A310-Y350 WeakPolarHBondContact CB-O 3.36Å
311D95.1Very high93.4Very high22 Ų2247.9 Ų47.912%0.11828%0.283CS..  trans-73.8160.2157.5-161.914000110A163 R165 R315 I325A163-D311 HydrophobicContact CB-CB 4.37Å; R165-D311 HydrophobicContact CG-CB 4.32Å; R165-D311 IonicContact CZ-OD1 3.26Å; R165-D311 VanDerWaalsContact CZ-OD1 3.24Å; R165-D311 IonicContact NE-OD1 2.98Å; R165-D311 PolarHBondContact NE-OD1 2.86Å; R165-D311 IonicContact NH2-OD1 2.7Å; R165-D311 PolarHBondContact NH2-OD1 3.1Å; D311-R315 IonicContact OD2-CZ 3.07Å; D311-R315 IonicContact OD2-NE 3Å; D311-R315 IonicContact OD2-NH2 3.34Å; D311-R315 PolarHBondContact OD2-NH2 2.56Å; D311-I325 WeakPolarHBondContact O-CB 3.47Å
312T92.6Very high93.3Very high77 Ų7754.7 Ų54.747%0.47231%0.312SS..SBendtrans-86.6-17.6-175.353.30000113.7R165 P324 I325R165-T312 PolarHBondContact NH2-OG1 3.47Å; R165-T312 VanDerWaalsContact NH2-OG1 3.1Å; T312-P324 WeakPolarHBondContact O-CA 3.49Å; T312-I325 PolarHBondContact O-N 3.47Å
313M92.6Very high93.1Very high75 Ų7556.2 Ų56.237%0.36933%0.325SS..EExtended strand (participates in β ladder)trans-139131.1-174.2-69.1-69.6-173.600110.3A321 A323 P324M313-A321 HydrophobicContact CB-CB 4.11Å; M313-A321 HydrophobicContact CG-CB 4.1Å; M313-A321 HydrophobicContact SD-CB 4.38Å; M313-A323 CarbonylContact C-O 3.59Å; M313-A323 WeakPolarHBondContact CA-O 3.45Å; M313-P324 HydrophobicContact SD-CB 4.21Å
314L90.2Very high92.9Very high89 Ų8958.4 Ų58.447%0.46635%0.345SS..EExtended strand (participates in β ladder)trans-66.5141.9161.4-165.475.7000108.4F322 A323 I325L314-F322 HydrophobicContact CD2-CD1 4.02Å; L314-F322 PolarHBondContact O-N 3.24Å; L314-A323 PolarHBondContact N-O 3.35Å; L314-I325 HydrophobicContact CB-CG1 4.34Å
315R88Confident92.9Very high138 Ų13859.8 Ų59.852%0.52135%0.352SS..EExtended strand (participates in β ladder)trans-114.2146.8-179.3-64.4173.2-171.5-81.8-5.4111D311 G319 E320D311-R315 IonicContact OD2-CZ 3.07Å; D311-R315 IonicContact OD2-NE 3Å; D311-R315 IonicContact OD2-NH2 3.34Å; D311-R315 PolarHBondContact OD2-NH2 2.56Å; R315-G319 PolarHBondContact NH1-O 2.84Å; R315-G319 VanDerWaalsContact NH1-O 3.14Å; R315-E320 CarbonylContact C-O 3.46Å; R315-E320 VanDerWaalsContact CA-O 3.23Å; R315-E320 WeakPolarHBondContact CA-O 3.38Å
316D88.9Confident92.7Very high79 Ų7962.2 Ų62.242%0.42237%0.368SS..  trans-79.7-178.4171.178.9-3.4000111.9G318 G319 E320D316-G318 PolarHBondContact O-N 2.95Å; D316-G318 VanDerWaalsContact OD1-CA 3.26Å; D316-G318 WeakPolarHBondContact OD1-CA 3.3Å; D316-G318 PolarHBondContact OD1-N 3.45Å; D316-G319 PolarHBondContact O-N 2.83Å; D316-G319 PolarHBondContact OD1-N 2.72Å; D316-E320 PolarHBondContact N-O 2.88Å; D316-E320 PolarHBondContact OD1-N 2.71Å
317S88.8Confident92.6Very high138 Ų13863 Ų6397%0.96537%0.372SS*.THydrogen-bonded Turntrans-70.7-6177.853.30000114.6
318G88.4Confident92.6Very high64 Ų6464 Ų6466%0.6638%0.382SS*.THydrogen-bonded Turntrans-92-11.8166.500000113.7D316D316-G318 PolarHBondContact O-N 2.95Å; D316-G318 VanDerWaalsContact OD1-CA 3.26Å; D316-G318 WeakPolarHBondContact OD1-CA 3.3Å; D316-G318 PolarHBondContact OD1-N 3.45Å
319G85.4Confident92.6Very high33 Ų3363.9 Ų63.934%0.3438%0.382SS..SBendtrans90.9-0.7-174.700000114.5R315 D316R315-G319 PolarHBondContact NH1-O 2.84Å; R315-G319 VanDerWaalsContact NH1-O 3.14Å; D316-G319 PolarHBondContact O-N 2.83Å; D316-G319 PolarHBondContact OD1-N 2.72Å
320E90.5Very high92.6Very high139 Ų13963.2 Ų63.265%0.6538%0.378SS*.  trans-74.9149.6-179.4-70.3-61.8154.300111.2R315 D316 F322R315-E320 CarbonylContact C-O 3.46Å; R315-E320 VanDerWaalsContact CA-O 3.23Å; R315-E320 WeakPolarHBondContact CA-O 3.38Å; D316-E320 PolarHBondContact N-O 2.88Å; D316-E320 PolarHBondContact OD1-N 2.71Å; E320-F322 PolarHBondContact O-N 2.93Å
321A91.3Very high92.6Very high61 Ų6162.8 Ų62.850%0.50437%0.374SS..EExtended strand (participates in β ladder)trans-73.8117.3-176.700000111.4M313M313-A321 HydrophobicContact CB-CB 4.11Å; M313-A321 HydrophobicContact CG-CB 4.1Å; M313-A321 HydrophobicContact SD-CB 4.38Å
322F91.4Very high92.8Very high153 Ų15361.8 Ų61.867%0.67137%0.369SS*.EExtended strand (participates in β ladder)trans-95.2-50.3-176176.2-98.3000113L314 E320L314-F322 HydrophobicContact CD2-CD1 4.02Å; L314-F322 PolarHBondContact O-N 3.24Å; E320-F322 PolarHBondContact O-N 2.93Å
323A90.5Very high93Very high33 Ų3358.1 Ų58.127%0.27335%0.346SS..EExtended strand (participates in β ladder)trans-154150.6-176.800000111.1M313 L314M313-A323 CarbonylContact C-O 3.59Å; M313-A323 WeakPolarHBondContact CA-O 3.45Å; L314-A323 PolarHBondContact N-O 3.35Å
324P92.3Very high93.3Very high95 Ų9555.5 Ų55.562%0.61733%0.334SS*.EExtended strand (participates in β ladder)trans-68.514717529.7-35.1000111.9T312 M313T312-P324 WeakPolarHBondContact O-CA 3.49Å; M313-P324 HydrophobicContact SD-CB 4.21Å
325I93.9Very high93.7Very high29 Ų2953.8 Ų53.815%0.14932%0.323CS..  trans-96.9115.9172.3-66.7168.2000108.1A310 D311 T312 L314 F327 Y350A310-I325 HydrophobicContact CB-CG2 4.25Å; D311-I325 WeakPolarHBondContact O-CB 3.47Å; T312-I325 PolarHBondContact O-N 3.47Å; L314-I325 HydrophobicContact CB-CG1 4.34Å; I325-F327 HydrophobicContact CG2-CB 4.41Å; I325-F327 HydrophobicContact CG2-CD2 4.24Å; I325-F327 PolarHBondContact O-N 2.85Å; I325-Y350 HydrophobicContact CG2-CD1 3.82Å; I325-Y350 HydrophobicContact CG2-CE1 3.64Å
326P94.4Very high94Very high51 Ų5147.3 Ų47.333%0.33130%0.299SS..THydrogen-bonded Turntrans-77.9-18.7-171.530.9-36.1000113.9E292 G328 H386E292-P326 HydrophobicContact CG-CB 4.23Å; E292-P326 WeakPolarHBondContact OE1-CB 3.27Å; E292-P326 WeakPolarHBondContact OE2-CG 3.41Å; P326-G328 PolarHBondContact O-N 2.77Å; P326-H386 PolarHBondContact O-CE1 2.9Å; P326-H386 PolarHBondContact O-NE2 3.49Å
327F97.3Very high94.3Very high18 Ų1846.5 Ų46.58%0.07930%0.298CS..THydrogen-bonded Turntrans-72.4-22.9-170.5-64.9-79.1000115.6E292 V295 V308 I325 G329 Y331 Y350 F355E292-F327 HydrophobicContact CB-CD1 3.83Å; E292-F327 HydrophobicContact CB-CE1 4.06Å; E292-F327 VanDerWaalsContact N-CE1 3.3Å; V295-F327 HydrophobicContact CG2-CD1 4.35Å; V308-F327 VanDerWaalsContact CB-O 3.23Å; V308-F327 WeakPolarHBondContact CB-O 3.45Å; V308-F327 HydrophobicContact CG1-CB 4.27Å; V308-F327 VanDerWaalsContact CG1-O 3.29Å; V308-F327 WeakPolarHBondContact CG1-O 3.29Å; I325-F327 HydrophobicContact CG2-CB 4.41Å; I325-F327 HydrophobicContact CG2-CD2 4.24Å; I325-F327 PolarHBondContact O-N 2.85Å; F327-G329 PolarHBondContact O-N 3.1Å; F327-Y331 PolarHBondContact O-OH 3.48Å; F327-Y331 VanDerWaalsContact O-OH 3.06Å; F327-Y350 HydrophobicContact CB-CD1 4.05Å; F327-Y350 HydrophobicContact CB-CD2 4.4Å; F327-Y350 HydrophobicContact CB-CG 3.98Å; F327-Y350 AromaticContact CD2-CD1 3.89Å; F327-Y350 HydrophobicContact CD2-CD1 3.89Å; F327-Y350 AromaticContact CD2-CD2 3.96Å; F327-Y350 HydrophobicContact CD2-CD2 3.96Å; F327-Y350 AromaticContact CD2-CE1 3.53Å; F327-Y350 HydrophobicContact CD2-CE1 3.53Å; F327-Y350 AromaticContact CD2-CE2 3.58Å; F327-Y350 HydrophobicContact CD2-CE2 3.58Å; F327-Y350 HydrophobicContact CD2-CG 4.1Å; F327-Y350 AromaticContact CD2-CZ 3.34Å; F327-Y350 HydrophobicContact CE2-CD2 4.34Å; F327-Y350 HydrophobicContact CE2-CE1 4.09Å; F327-Y350 AromaticContact CE2-CE2 3.59Å; F327-Y350 HydrophobicContact CE2-CE2 3.59Å; F327-Y350 AromaticContact CE2-CZ 3.43Å; F327-Y350 VanDerWaalsContact CE2-CZ 3.43Å; F327-Y350 WeakPolarHBondContact CE2-OH 3.32Å; F327-Y350 HydrophobicContact CG-CD1 4.25Å; F327-Y350 HydrophobicContact CG-CD2 4.07Å; F327-Y350 HydrophobicContact CG-CE1 4.32Å; F327-Y350 HydrophobicContact CG-CE2 4.13Å; F327-Y350 HydrophobicContact CG-CG 4.12Å; F327-Y350 HydrophobicContact CZ-CE2 4.12Å; F327-F355 HydrophobicContact CD1-CE1 4.39Å; F327-F355 HydrophobicContact CD1-CE2 4.29Å; F327-F355 AromaticContact CD1-CZ 3.52Å; F327-F355 HydrophobicContact CD1-CZ 3.52Å; F327-F355 HydrophobicContact CE1-CE2 4.05Å; F327-F355 AromaticContact CE1-CZ 3.71Å; F327-F355 HydrophobicContact CE1-CZ 3.71Å; F327-F355 HydrophobicContact CG-CZ 4.19Å
328G97.8Very high94.7Very high23 Ų2341.9 Ų41.924%0.23727%0.265CS..  trans-68.2123.4-176.500000112P326 H386P326-G328 PolarHBondContact O-N 2.77Å; G328-H386 PolarHBondContact O-NE2 3.07Å; G328-H386 VanDerWaalsContact O-NE2 3.08Å
329G98.3Very high95Very high1 Ų144.5 Ų44.51%0.0127%0.273CS..EExtended strand (participates in β ladder)trans151.3-156176.500000116.9V308 F327 A384V308-G329 PolarHBondContact N-O 2.82Å; V308-G329 PolarHBondContact O-N 2.82Å; F327-G329 PolarHBondContact O-N 3.1Å; G329-A384 CarbonylContact C-O 3.49Å; G329-A384 WeakPolarHBondContact CA-O 3.38Å
330L98.8Very high95.3Very high1 Ų148.7 Ų48.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-119.5124.7-172-54.5174.5000109.3V307 L375 L383 A384 L385 H386 L421V307-L330 HydrophobicContact CB-CD2 4.31Å; V307-L330 HydrophobicContact CG1-CD2 3.92Å; V307-L330 HydrophobicContact CG2-CD2 3.72Å; L330-L375 HydrophobicContact CD1-CB 4.49Å; L330-L375 HydrophobicContact CD2-CD2 3.95Å; L330-L383 HydrophobicContact CD1-CB 4.03Å; L330-L383 HydrophobicContact CD2-CB 4.41Å; L330-L383 HydrophobicContact CD2-CD1 4.06Å; L330-L383 HydrophobicContact CG-CB 3.88Å; L330-L383 HydrophobicContact CG-CD1 4.43Å; L330-A384 WeakPolarHBondContact CB-O 3.42Å; L330-A384 PolarHBondContact N-O 2.64Å; L330-L385 HydrophobicContact CB-CD1 3.86Å; L330-H386 PolarHBondContact O-N 2.73Å; L330-L421 HydrophobicContact CD1-CD1 4.1Å; L330-L421 HydrophobicContact CD1-CD2 3.79Å
331Y98.9Very high95.4Very high0 Ų042.8 Ų42.80%025%0.252CS..EExtended strand (participates in β ladder)trans-118.2114.9178.6-59.4-94.4000108.5E292 V295 F296 P305 I306 V308 F327 H386 F387E292-Y331 HydrophobicContact CB-CE1 4.38Å; E292-Y331 WeakPolarHBondContact CB-OH 3.27Å; E292-Y331 WeakPolarHBondContact O-CE1 3.42Å; V295-Y331 HydrophobicContact CB-CD1 4.11Å; V295-Y331 HydrophobicContact CB-CD2 4.47Å; V295-Y331 HydrophobicContact CB-CE1 3.94Å; V295-Y331 HydrophobicContact CB-CE2 4.33Å; V295-Y331 HydrophobicContact CB-CG 4.37Å; V295-Y331 HydrophobicContact CG1-CD1 4.1Å; V295-Y331 HydrophobicContact CG1-CD2 3.68Å; V295-Y331 HydrophobicContact CG1-CE1 4.19Å; V295-Y331 HydrophobicContact CG1-CE2 3.8Å; V295-Y331 HydrophobicContact CG1-CG 3.84Å; F296-Y331 HydrophobicContact CB-CD1 3.9Å; F296-Y331 HydrophobicContact CD2-CD1 4.31Å; P305-Y331 CarbonylContact C-O 3.56Å; P305-Y331 WeakPolarHBondContact CA-O 3.45Å; I306-Y331 PolarHBondContact N-O 3.2Å; I306-Y331 PolarHBondContact O-N 3.47Å; V308-Y331 HydrophobicContact CB-CE2 4.13Å; V308-Y331 HydrophobicContact CG2-CD2 3.99Å; V308-Y331 HydrophobicContact CG2-CE2 3.61Å; F327-Y331 PolarHBondContact O-OH 3.48Å; F327-Y331 VanDerWaalsContact O-OH 3.06Å; Y331-H386 HydrophobicContact CD1-CB 3.64Å; Y331-H386 HydrophobicContact CE1-CB 3.5Å; Y331-H386 AromaticContact CE1-CD2 3.56Å; Y331-H386 AromaticContact CE1-CG 3.56Å; Y331-H386 AromaticContact CE2-CD2 3.65Å; Y331-H386 HydrophobicContact CG-CB 4.4Å; Y331-H386 AromaticContact CZ-CD2 3.25Å; Y331-H386 AromaticContact CZ-CG 3.74Å; Y331-H386 AromaticContact CZ-NE2 3.79Å; Y331-H386 PolarHBondContact OH-CD2 3.42Å; Y331-H386 PolarHBondContact OH-NE2 2.99Å; Y331-F387 HydrophobicContact CE1-CE2 4.39Å
332L98.6Very high95.5Very high1 Ų142.1 Ų42.11%0.00524%0.239CC..  trans-108.4145.8-179.6-58.7-177000110.4F296 H300 P305 L334 L385 L420 L421 Y424 M425F296-L332 WeakPolarHBondContact CE2-O 3.16Å; H300-L332 PolarHBondContact CE1-O 3.35Å; P305-L332 HydrophobicContact CB-CD2 3.78Å; P305-L332 HydrophobicContact CG-CD2 3.98Å; L332-L334 HydrophobicContact CB-CD2 3.69Å; L332-L334 HydrophobicContact CB-CG 3.89Å; L332-L334 HydrophobicContact CD1-CD2 4.11Å; L332-L334 PolarHBondContact O-N 2.83Å; L332-L385 HydrophobicContact CD1-CD1 3.76Å; L332-L385 HydrophobicContact CG-CD1 3.83Å; L332-L420 HydrophobicContact CD1-CB 4.07Å; L332-L421 HydrophobicContact CD1-CD2 4.19Å; L332-L421 HydrophobicContact CD2-CD2 4.42Å; L332-Y424 HydrophobicContact CB-CD2 4.5Å; L332-Y424 HydrophobicContact CB-CG 4.44Å; L332-Y424 HydrophobicContact CD1-CD2 3.97Å; L332-Y424 HydrophobicContact CD1-CG 4.29Å; L332-M425 HydrophobicContact CD2-CG 4.23Å; L332-M425 HydrophobicContact CD2-SD 4.07Å
333P97.7Very high95.6Very high0 Ų036.7 Ų36.70%022%0.219CC..  trans-75.363.7174.632.2-36.3000111.7H300 E335 V336 C341 Y424H300-P333 VanDerWaalsContact NE2-C 3.26Å; H300-P333 WeakPolarHBondContact NE2-CA 3.31Å; P333-E335 VanDerWaalsContact C-N 3.3Å; P333-E335 PolarHBondContact O-N 2.88Å; P333-V336 HydrophobicContact CB-CB 4.32Å; P333-V336 HydrophobicContact CB-CG2 4.4Å; P333-V336 PolarHBondContact O-N 2.87Å; P333-V336 VanDerWaalsContact O-O 3.06Å; P333-C341 HydrophobicContact CG-CB 4.16Å; P333-C341 VanDerWaalsContact CG-SG 3.56Å; P333-Y424 HydrophobicContact CG-CD1 3.94Å; P333-Y424 HydrophobicContact CG-CE1 4.04Å; P333-Y424 WeakPolarHBondContact O-CE1 3.31Å
334L98.1Very high95.8Very high19 Ų1935.2 Ų35.210%0.09921%0.207CC..THydrogen-bonded Turntrans-64.5-23.6-167.4-65.4177.5000115.6F296 H300 L332 V336 L420 Y424F296-L334 HydrophobicContact CE2-CD1 4.28Å; F296-L334 HydrophobicContact CE2-CG 4.47Å; F296-L334 HydrophobicContact CZ-CB 4.43Å; F296-L334 HydrophobicContact CZ-CD1 4.32Å; H300-L334 PolarHBondContact NE2-N 2.99Å; L332-L334 HydrophobicContact CB-CD2 3.69Å; L332-L334 HydrophobicContact CB-CG 3.89Å; L332-L334 HydrophobicContact CD1-CD2 4.11Å; L332-L334 PolarHBondContact O-N 2.83Å; L334-V336 VanDerWaalsContact C-N 3.32Å; L334-L420 HydrophobicContact CD2-CD1 4.47Å; L334-L420 HydrophobicContact CD2-CD2 4.12Å; L334-Y424 HydrophobicContact CD2-CD2 4.1Å; L334-Y424 HydrophobicContact CD2-CE2 3.55Å; L334-Y424 PolarHBondContact O-OH 3.2Å
335E97.6Very high96Very high54 Ų5430.7 Ų30.725%0.25218%0.177SC..THydrogen-bonded Turntrans-83.9-6.3173.3-61.5-53.7123.400113.2E222 A225 L226 R229 H300 P333E222-E335 HydrophobicContact CB-CB 4Å; E222-E335 HydrophobicContact CB-CG 4.5Å; E222-E335 HydrophobicContact CG-CB 3.89Å; A225-E335 VanDerWaalsContact CB-CD 3.43Å; A225-E335 HydrophobicContact CB-CG 3.89Å; A225-E335 WeakPolarHBondContact CB-OE2 3.5Å; L226-E335 HydrophobicContact CD2-CG 4.19Å; L226-E335 HydrophobicContact CG-CG 4.49Å; R229-E335 IonicContact CZ-OE1 3.12Å; R229-E335 IonicContact NE-OE1 3.52Å; R229-E335 PolarHBondContact NE-OE1 2.79Å; R229-E335 IonicContact NH2-OE1 2.7Å; R229-E335 PolarHBondContact NH2-OE1 3.47Å; H300-E335 PolarHBondContact NE2-N 3.49Å; P333-E335 VanDerWaalsContact C-N 3.3Å; P333-E335 PolarHBondContact O-N 2.88Å
336V95.6Very high96.1Very high2 Ų229.3 Ų29.31%0.01217%0.17CC..SBendtrans-105.2123.1176.1-173.70000109R303 P333 L334 R340 C341 Y424R303-V336 HydrophobicContact CG-CG1 4.25Å; R303-V336 HydrophobicContact CG-CG2 4.42Å; P333-V336 HydrophobicContact CB-CB 4.32Å; P333-V336 HydrophobicContact CB-CG2 4.4Å; P333-V336 PolarHBondContact O-N 2.87Å; P333-V336 VanDerWaalsContact O-O 3.06Å; L334-V336 VanDerWaalsContact C-N 3.32Å; V336-R340 HydrophobicContact CG1-CB 3.84Å; V336-C341 WeakPolarHBondContact CG1-SG 3.25Å; V336-Y424 WeakPolarHBondContact O-CE1 3.39Å; V336-Y424 PolarHBondContact O-OH 3.21Å; V336-Y424 VanDerWaalsContact O-OH 3.04Å
337P95.7Very high96.3Very high62 Ų6226.9 Ų26.940%0.40315%0.154SC..  trans-53.5136.8179-28.135.1000112.1S339 R340P337-S339 PolarHBondContact O-N 3Å; P337-R340 WeakPolarHBondContact O-CA 3.22Å; P337-R340 WeakPolarHBondContact O-CB 3.28Å; P337-R340 PolarHBondContact O-N 3.48Å
338P95.8Very high96.4Very high41 Ų4126 Ų2627%0.26615%0.151SC..G310 helixtrans-55.4-31.1-172.4-25.129000115.1R340 C341 N423 Y424P338-R340 PolarHBondContact O-N 2.76Å; P338-R340 VanDerWaalsContact O-N 3.13Å; P338-C341 PolarHBondContact O-N 3.41Å; P338-C341 VanDerWaalsContact O-N 3.08Å; P338-N423 HydrophobicContact CB-CB 4.47Å; P338-N423 WeakPolarHBondContact CB-O 3.36Å; P338-N423 HydrophobicContact CG-CB 4.13Å; P338-Y424 HydrophobicContact CB-CD1 4.22Å; P338-Y424 HydrophobicContact CB-CE1 4.14Å; P338-Y424 HydrophobicContact CG-CD1 4.27Å; P338-Y424 HydrophobicContact CG-CD2 4.35Å; P338-Y424 HydrophobicContact CG-CE1 3.84Å; P338-Y424 HydrophobicContact CG-CE2 3.93Å
339S94.4Very high96.4Very high118 Ų11824.9 Ų24.983%0.82514%0.139SC*.G310 helixtrans-68-3174.8550000115P337P337-S339 PolarHBondContact O-N 3Å
340R92.4Very high96.4Very high122 Ų12226.5 Ų26.546%0.4615%0.145SC..G310 helixtrans-11513.3173.7-69.4172.451.6-165.9-10112.2R303 V336 P337 P338R303-R340 WeakPolarHBondContact CD-O 3.39Å; V336-R340 HydrophobicContact CG1-CB 3.84Å; P337-R340 WeakPolarHBondContact O-CA 3.22Å; P337-R340 WeakPolarHBondContact O-CB 3.28Å; P337-R340 PolarHBondContact O-N 3.48Å; P338-R340 PolarHBondContact O-N 2.76Å; P338-R340 VanDerWaalsContact O-N 3.13Å
341C93.8Very high96.2Very high14 Ų1427.6 Ų27.610%0.09515%0.151CC..SBendtrans-121.3158.1-175.8-63.20000112R303 P333 V336 P338 Y424R303-C341 CarbonylContact O-C 3.59Å; R303-C341 WeakPolarHBondContact O-CA 3.34Å; R303-C341 VanDerWaalsContact O-CB 3.29Å; R303-C341 WeakPolarHBondContact O-CB 3.45Å; P333-C341 HydrophobicContact CG-CB 4.16Å; P333-C341 VanDerWaalsContact CG-SG 3.56Å; V336-C341 WeakPolarHBondContact CG1-SG 3.25Å; P338-C341 PolarHBondContact O-N 3.41Å; P338-C341 VanDerWaalsContact O-N 3.08Å; C341-Y424 HydrophobicContact CB-CD1 4.37Å
342H92.3Very high95.8Very high48 Ų4834.4 Ų34.422%0.22218%0.183CC..  trans-93.4124.7175.6-56-51.2000111M126 I128 R303 R304 P305 S344M126-H342 PolarHBondContact O-NE2 3.28Å; I128-H342 WeakPolarHBondContact CG2-ND1 3.36Å; R303-H342 PolarHBondContact O-N 2.91Å; R304-H342 HydrophobicContact CB-CB 4.44Å; R304-H342 HydrophobicContact CG-CB 4.22Å; P305-H342 WeakPolarHBondContact CD-O 3.11Å; H342-S344 VanDerWaalsContact C-N 3.29Å; H342-S344 PolarHBondContact O-N 3.43Å
343C93.9Very high95.5Very high39 Ų3937.9 Ų37.926%0.26421%0.212SC..SBendtrans-81.5-1.2-173.6-530000115.1Y424 M425 N426C343-Y424 WeakPolarHBondContact CA-O 3.48Å; C343-M425 CarbonylContact O-C 3.56Å; C343-M425 WeakPolarHBondContact O-CA 3.2Å; C343-N426 HydrophobicContact CB-CB 4.32Å; C343-N426 VanDerWaalsContact CB-OD1 3.22Å; C343-N426 WeakPolarHBondContact CB-OD1 3.43Å; C343-N426 PolarHBondContact O-N 2.85Å
344S94.4Very high95.4Very high1 Ų139.1 Ų39.11%0.00722%0.218CC..SBendtrans-91.6120170.6176.30000109I128 R304 H342 L638I128-S344 WeakPolarHBondContact O-CB 3.49Å; I128-S344 PolarHBondContact O-OG 2.96Å; R304-S344 VanDerWaalsContact CG-O 3.26Å; R304-S344 WeakPolarHBondContact CG-O 3.39Å; R304-S344 PolarHBondContact NE-O 3.3Å; H342-S344 VanDerWaalsContact C-N 3.29Å; H342-S344 PolarHBondContact O-N 3.43Å; S344-L638 PolarHBondContact OG-N 2.83Å
345P96.4Very high95.3Very high0 Ų038.4 Ų38.40%021%0.214CC..PPolyproline II helixtrans-69.5154.8179.228.8-33.2000112R304 P305 V307 V347 I373 M425 L636 L637R304-P345 PolarHBondContact NH2-O 3.01Å; P305-P345 HydrophobicContact CB-CB 4.22Å; P305-P345 CarbonylContact O-C 3.55Å; P305-P345 VanDerWaalsContact O-CA 3.22Å; P305-P345 WeakPolarHBondContact O-CA 3.44Å; V307-P345 HydrophobicContact CG2-CB 3.84Å; V307-P345 HydrophobicContact CG2-CG 4.35Å; P345-V347 HydrophobicContact CG-CG2 4.46Å; P345-I373 HydrophobicContact CG-CG2 3.91Å; P345-M425 HydrophobicContact CB-CE 3.81Å; P345-M425 HydrophobicContact CG-CE 3.65Å; P345-L636 WeakPolarHBondContact CD-O 3.38Å; P345-L637 HydrophobicContact CG-CD2 3.59Å
346L96.9Very high95.3Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-82.8138.1153.6171.364.9000107.5A195 M199 L302 P305 I306 V307 L348A195-L346 HydrophobicContact CB-CD2 3.72Å; M199-L346 HydrophobicContact CG-CD1 4.49Å; L302-L346 HydrophobicContact CD1-CD2 3.82Å; P305-L346 PolarHBondContact O-N 2.92Å; I306-L346 WeakPolarHBondContact CA-O 3.25Å; I306-L346 HydrophobicContact CD1-CD2 4.31Å; I306-L346 HydrophobicContact CG1-CB 4.39Å; I306-L346 HydrophobicContact CG1-CD2 4.32Å; V307-L346 PolarHBondContact N-O 2.9Å; L346-L348 HydrophobicContact CD1-CD2 4.3Å; L346-L348 HydrophobicContact CD2-CD2 4.35Å; L346-L348 HydrophobicContact CG-CD2 4.17Å; L346-L348 HydrophobicContact CG-CG 4.41Å
347V98.1Very high95.4Very high0 Ų035.8 Ų35.80%020%0.201CC..EExtended strand (participates in β ladder)trans-118.5128.5-179.1-165.60000109.9L179 V307 V309 P345 L358 I373 L637L179-V347 HydrophobicContact CD1-CG1 4.24Å; V307-V347 HydrophobicContact CB-CG1 4.46Å; V307-V347 WeakPolarHBondContact O-CA 3.27Å; V309-V347 HydrophobicContact CG2-CG1 4.49Å; P345-V347 HydrophobicContact CG-CG2 4.46Å; V347-L358 HydrophobicContact CB-CB 4.06Å; V347-L358 HydrophobicContact CG1-CB 3.81Å; V347-L358 HydrophobicContact CG1-CD1 3.87Å; V347-L358 HydrophobicContact CG1-CG 4.46Å; V347-L358 PolarHBondContact O-N 3.36Å; V347-I373 HydrophobicContact CG1-CD1 3.83Å; V347-I373 HydrophobicContact CG1-CG1 3.91Å; V347-I373 HydrophobicContact CG2-CB 4.11Å; V347-I373 HydrophobicContact CG2-CG1 4.31Å; V347-I373 HydrophobicContact CG2-CG2 4Å; V347-L637 HydrophobicContact CG2-CD1 4.22Å; V347-L637 HydrophobicContact CG2-CD2 3.57Å
348L98.5Very high95.5Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-124.3151.7-179.6-54.7178.7000110.1L191 A194 I306 V307 V308 V309 L346 F355 S356L191-L348 HydrophobicContact CD1-CD1 3.75Å; A194-L348 HydrophobicContact CB-CD2 3.88Å; I306-L348 HydrophobicContact CG2-CD1 3.77Å; I306-L348 HydrophobicContact CG2-CG 4.05Å; V307-L348 PolarHBondContact O-N 2.96Å; V308-L348 WeakPolarHBondContact CA-O 3.47Å; V308-L348 HydrophobicContact CG2-CB 4.38Å; V309-L348 PolarHBondContact N-O 3.03Å; L346-L348 HydrophobicContact CD1-CD2 4.3Å; L346-L348 HydrophobicContact CD2-CD2 4.35Å; L346-L348 HydrophobicContact CG-CD2 4.17Å; L346-L348 HydrophobicContact CG-CG 4.41Å; L348-F355 HydrophobicContact CD1-CD1 4.39Å; L348-S356 CarbonylContact C-O 3.52Å; L348-S356 WeakPolarHBondContact CA-O 3.47Å
349A98.4Very high95.4Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-102.7146.2162.900000109.4T156 L160 P181 V309 F355 S356 L358T156-A349 HydrophobicContact CG2-CB 3.82Å; L160-A349 HydrophobicContact CD1-CB 3.76Å; P181-A349 HydrophobicContact CB-CB 4.46Å; V309-A349 CarbonylContact O-C 3.58Å; V309-A349 WeakPolarHBondContact O-CA 3.47Å; A349-F355 WeakPolarHBondContact O-CA 3.33Å; A349-S356 PolarHBondContact N-O 3.25Å; A349-S356 PolarHBondContact O-N 3.01Å; A349-L358 HydrophobicContact CB-CD1 3.98Å; A349-L358 HydrophobicContact CB-CD2 4.14Å; A349-L358 HydrophobicContact CB-CG 3.83Å
350Y97.9Very high95.3Very high34 Ų3425.3 Ų25.313%0.13313%0.131CC..EExtended strand (participates in β ladder)trans-128.8126.4167.3174.3-86.9000109.8V309 A310 I325 F327 A353 H354 F355V309-Y350 PolarHBondContact O-N 3.22Å; A310-Y350 WeakPolarHBondContact CA-O 3.2Å; A310-Y350 HydrophobicContact CB-CD1 4.19Å; A310-Y350 WeakPolarHBondContact CB-O 3.36Å; I325-Y350 HydrophobicContact CG2-CD1 3.82Å; I325-Y350 HydrophobicContact CG2-CE1 3.64Å; F327-Y350 HydrophobicContact CB-CD1 4.05Å; F327-Y350 HydrophobicContact CB-CD2 4.4Å; F327-Y350 HydrophobicContact CB-CG 3.98Å; F327-Y350 AromaticContact CD2-CD1 3.89Å; F327-Y350 HydrophobicContact CD2-CD1 3.89Å; F327-Y350 AromaticContact CD2-CD2 3.96Å; F327-Y350 HydrophobicContact CD2-CD2 3.96Å; F327-Y350 AromaticContact CD2-CE1 3.53Å; F327-Y350 HydrophobicContact CD2-CE1 3.53Å; F327-Y350 AromaticContact CD2-CE2 3.58Å; F327-Y350 HydrophobicContact CD2-CE2 3.58Å; F327-Y350 HydrophobicContact CD2-CG 4.1Å; F327-Y350 AromaticContact CD2-CZ 3.34Å; F327-Y350 HydrophobicContact CE2-CD2 4.34Å; F327-Y350 HydrophobicContact CE2-CE1 4.09Å; F327-Y350 AromaticContact CE2-CE2 3.59Å; F327-Y350 HydrophobicContact CE2-CE2 3.59Å; F327-Y350 AromaticContact CE2-CZ 3.43Å; F327-Y350 VanDerWaalsContact CE2-CZ 3.43Å; F327-Y350 WeakPolarHBondContact CE2-OH 3.32Å; F327-Y350 HydrophobicContact CG-CD1 4.25Å; F327-Y350 HydrophobicContact CG-CD2 4.07Å; F327-Y350 HydrophobicContact CG-CE1 4.32Å; F327-Y350 HydrophobicContact CG-CE2 4.13Å; F327-Y350 HydrophobicContact CG-CG 4.12Å; F327-Y350 HydrophobicContact CZ-CE2 4.12Å; Y350-A353 WeakPolarHBondContact OH-CA 3.4Å; Y350-H354 WeakPolarHBondContact CA-O 3.38Å; Y350-F355 HydrophobicContact CD2-CD1 4.13Å; Y350-F355 AromaticContact CD2-CD2 3.97Å; Y350-F355 HydrophobicContact CD2-CD2 3.97Å; Y350-F355 AromaticContact CD2-CE1 3.88Å; Y350-F355 HydrophobicContact CD2-CE1 3.88Å; Y350-F355 AromaticContact CD2-CE2 3.71Å; Y350-F355 HydrophobicContact CD2-CE2 3.71Å; Y350-F355 HydrophobicContact CD2-CG 4.19Å; Y350-F355 AromaticContact CD2-CZ 3.67Å; Y350-F355 HydrophobicContact CD2-CZ 3.67Å; Y350-F355 HydrophobicContact CE2-CD2 4.49Å; Y350-F355 HydrophobicContact CE2-CE2 4.1Å; Y350-F355 HydrophobicContact CE2-CZ 4.35Å; Y350-F355 HydrophobicContact CG-CE1 4.33Å; Y350-F355 HydrophobicContact CG-CZ 4.45Å
351D95.4Very high95.2Very high25 Ų2520.7 Ų20.713%0.13411%0.114CC..EExtended strand (participates in β ladder)trans-151.3148.9173.1-179.538.2000109.2T156 A353 H354T156-D351 HydrophobicContact CG2-CB 3.87Å; D351-A353 VanDerWaalsContact C-N 3.26Å; D351-A353 PolarHBondContact O-N 3.08Å; D351-H354 PolarHBondContact N-O 2.88Å; D351-H354 VanDerWaalsContact N-O 3.15Å; D351-H354 WeakPolarHBondContact O-CA 3.39Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.43Å
352Q90.4Very high94.8Very high143 Ų14322 Ų2267%0.66812%0.119SC*.THydrogen-bonded Turntrans45.242.6172.8-68.9170.987.900115.6H354Q352-H354 PolarHBondContact O-N 2.79Å
353A92.4Very high94Very high74 Ų7422.3 Ų22.361%0.61212%0.121SC*.THydrogen-bonded Turntrans62.521.2-176.800000115.8Y350 D351Y350-A353 WeakPolarHBondContact OH-CA 3.4Å; D351-A353 VanDerWaalsContact C-N 3.26Å; D351-A353 PolarHBondContact O-N 3.08Å
354H94.4Very high92.5Very high25 Ų2530 Ų3012%0.11614%0.144CC..EExtended strand (participates in β ladder)trans-121.7144.7179.9-173.5-79.9000111.1T184 Y350 D351 Q352 S356T184-H354 PolarHBondContact O-NE2 2.99Å; T184-H354 PolarHBondContact OG1-CE1 3.4Å; T184-H354 PolarHBondContact OG1-NE2 3.12Å; Y350-H354 WeakPolarHBondContact CA-O 3.38Å; D351-H354 PolarHBondContact N-O 2.88Å; D351-H354 VanDerWaalsContact N-O 3.15Å; D351-H354 WeakPolarHBondContact O-CA 3.39Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.43Å; Q352-H354 PolarHBondContact O-N 2.79Å; H354-S356 PolarHBondContact CE1-OG 3.29Å; H354-S356 PolarHBondContact ND1-OG 3.48Å
355F97.8Very high91.1Very high5 Ų535 Ų352%0.02217%0.171CC..EExtended strand (participates in β ladder)trans-111.4131.2175.2-82-81.4000111.1T184 C190 L191 A194 V295 V308 F327 L348 A349 Y350T184-F355 VanDerWaalsContact CG2-O 3.26Å; T184-F355 WeakPolarHBondContact CG2-O 3.48Å; T184-F355 PolarHBondContact OG1-O 3.42Å; C190-F355 HydrophobicContact CB-CB 4.36Å; L191-F355 HydrophobicContact CB-CB 4.49Å; L191-F355 HydrophobicContact CB-CD2 3.7Å; L191-F355 HydrophobicContact CB-CE2 4.01Å; L191-F355 HydrophobicContact CB-CG 4.12Å; L191-F355 HydrophobicContact CD1-CD1 3.9Å; L191-F355 HydrophobicContact CD1-CD2 4.17Å; L191-F355 HydrophobicContact CD1-CE1 3.84Å; L191-F355 HydrophobicContact CD1-CE2 4.11Å; L191-F355 HydrophobicContact CD1-CG 4.04Å; L191-F355 HydrophobicContact CD1-CZ 3.93Å; L191-F355 HydrophobicContact CG-CD2 4.46Å; L191-F355 HydrophobicContact CG-CE2 4.44Å; A194-F355 HydrophobicContact CB-CB 4.15Å; V295-F355 HydrophobicContact CG2-CE1 4.43Å; V295-F355 HydrophobicContact CG2-CZ 3.99Å; V308-F355 HydrophobicContact CG1-CE1 4.22Å; F327-F355 HydrophobicContact CD1-CE1 4.39Å; F327-F355 HydrophobicContact CD1-CE2 4.29Å; F327-F355 AromaticContact CD1-CZ 3.52Å; F327-F355 HydrophobicContact CD1-CZ 3.52Å; F327-F355 HydrophobicContact CE1-CE2 4.05Å; F327-F355 AromaticContact CE1-CZ 3.71Å; F327-F355 HydrophobicContact CE1-CZ 3.71Å; F327-F355 HydrophobicContact CG-CZ 4.19Å; L348-F355 HydrophobicContact CD1-CD1 4.39Å; A349-F355 WeakPolarHBondContact O-CA 3.33Å; Y350-F355 HydrophobicContact CD2-CD1 4.13Å; Y350-F355 AromaticContact CD2-CD2 3.97Å; Y350-F355 HydrophobicContact CD2-CD2 3.97Å; Y350-F355 AromaticContact CD2-CE1 3.88Å; Y350-F355 HydrophobicContact CD2-CE1 3.88Å; Y350-F355 AromaticContact CD2-CE2 3.71Å; Y350-F355 HydrophobicContact CD2-CE2 3.71Å; Y350-F355 HydrophobicContact CD2-CG 4.19Å; Y350-F355 AromaticContact CD2-CZ 3.67Å; Y350-F355 HydrophobicContact CD2-CZ 3.67Å; Y350-F355 HydrophobicContact CE2-CD2 4.49Å; Y350-F355 HydrophobicContact CE2-CE2 4.1Å; Y350-F355 HydrophobicContact CE2-CZ 4.35Å; Y350-F355 HydrophobicContact CG-CE1 4.33Å; Y350-F355 HydrophobicContact CG-CZ 4.45Å
356S97.5Very high89.4Confident0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans-125.8147.4177.1-71.90000111.9L182 L348 A349 H354L182-S356 VanDerWaalsContact O-CB 3.29Å; L182-S356 WeakPolarHBondContact O-CB 3.33Å; L182-S356 PolarHBondContact O-OG 3.45Å; L348-S356 CarbonylContact C-O 3.52Å; L348-S356 WeakPolarHBondContact CA-O 3.47Å; A349-S356 PolarHBondContact N-O 3.25Å; A349-S356 PolarHBondContact O-N 3.01Å; H354-S356 PolarHBondContact CE1-OG 3.29Å; H354-S356 PolarHBondContact ND1-OG 3.48Å
357A97Very high87.6Confident0 Ų050.4 Ų50.40%024%0.243CC..EExtended strand (participates in β ladder)trans-82.2123.1-179.300000110.9L180 P181 L182 A194 L197 V359L180-A357 VanDerWaalsContact O-O 3.14Å; P181-A357 CarbonylContact C-O 3.57Å; P181-A357 WeakPolarHBondContact CA-O 3.48Å; L182-A357 HydrophobicContact CB-CB 4.21Å; L182-A357 HydrophobicContact CD1-CB 4.33Å; L182-A357 HydrophobicContact CG-CB 4.44Å; L182-A357 PolarHBondContact N-O 3.3Å; A194-A357 HydrophobicContact CB-CB 4.41Å; A194-A357 VanDerWaalsContact O-CB 3.26Å; A194-A357 WeakPolarHBondContact O-CB 3.48Å; L197-A357 HydrophobicContact CB-CB 4.11Å; A357-V359 HydrophobicContact CB-CG1 4.49Å; A357-V359 PolarHBondContact O-N 2.8Å
358L97.1Very high86.2Confident0 Ų059.2 Ų59.20%028%0.276CS..EExtended strand (participates in β ladder)trans-88.8106.9178.8-79.5177.3000111L166 L179 P181 V309 V347 A349L166-L358 HydrophobicContact CD1-CD1 3.89Å; L166-L358 HydrophobicContact CD1-CD2 3.77Å; L166-L358 HydrophobicContact CD2-CD2 4.09Å; L179-L358 HydrophobicContact CB-CB 4.23Å; L179-L358 HydrophobicContact CB-CD2 4.19Å; L179-L358 HydrophobicContact CD1-CB 4.34Å; P181-L358 HydrophobicContact CB-CD2 4.08Å; V309-L358 HydrophobicContact CB-CD1 3.89Å; V309-L358 HydrophobicContact CG2-CD1 3.67Å; V347-L358 HydrophobicContact CB-CB 4.06Å; V347-L358 HydrophobicContact CG1-CB 3.81Å; V347-L358 HydrophobicContact CG1-CD1 3.87Å; V347-L358 HydrophobicContact CG1-CG 4.46Å; V347-L358 PolarHBondContact O-N 3.36Å; A349-L358 HydrophobicContact CB-CD1 3.98Å; A349-L358 HydrophobicContact CB-CD2 4.14Å; A349-L358 HydrophobicContact CB-CG 3.83Å
359V94.3Very high85.1Confident1 Ų161.9 Ų61.91%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-118.4151.4-175.8-58.80000111.9T130 F131 L133 L179 L180 L182 A357T130-V359 HydrophobicContact CG2-CG1 4.44Å; F131-V359 HydrophobicContact CB-CG1 4.33Å; F131-V359 HydrophobicContact CD1-CG1 4.2Å; F131-V359 WeakPolarHBondContact O-CB 3.39Å; F131-V359 WeakPolarHBondContact O-CG1 3.27Å; L133-V359 HydrophobicContact CD1-CG2 3.72Å; L133-V359 HydrophobicContact CG-CG2 3.9Å; L179-V359 CarbonylContact C-O 3.51Å; L179-V359 WeakPolarHBondContact CA-O 3.44Å; L180-V359 PolarHBondContact N-O 3.23Å; L180-V359 PolarHBondContact O-N 2.73Å; L182-V359 HydrophobicContact CD1-CG1 3.89Å; L182-V359 HydrophobicContact CD1-CG2 4.01Å; L182-V359 HydrophobicContact CD2-CG2 3.72Å; L182-V359 HydrophobicContact CG-CG1 4.21Å; L182-V359 HydrophobicContact CG-CG2 3.68Å; A357-V359 HydrophobicContact CB-CG1 4.49Å; A357-V359 PolarHBondContact O-N 2.8Å
360S92.4Very high84.3Confident1 Ų166.7 Ų66.71%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-92.2154.5173.253.60000111.2Q132 L133Q132-S360 WeakPolarHBondContact CA-O 3.25Å; Q132-S360 PolarHBondContact NE2-OG 3.13Å; L133-S360 PolarHBondContact N-O 3.5Å
361M90.2Very high84Confident24 Ų2465.5 Ų65.512%0.11831%0.308CS..EExtended strand (participates in β ladder)trans-85.3144.6170.8-159.5177.1-70.200110.6L133 P134 L136 K177 L180L133-M361 HydrophobicContact CB-CG 4.41Å; P134-M361 WeakPolarHBondContact O-CG 3.48Å; L136-M361 HydrophobicContact CB-CE 3.88Å; L136-M361 HydrophobicContact CB-SD 3.92Å; L136-M361 HydrophobicContact CD1-CE 3.91Å; L136-M361 HydrophobicContact CG-CE 3.93Å; L136-M361 HydrophobicContact CG-SD 4.27Å; L136-M361 PolarHBondContact N-SD 3.12Å; K177-M361 PolarHBondContact NZ-O 2.95Å; L180-M361 HydrophobicContact CD1-CE 3.66Å
362E86.3Confident83.9Confident41 Ų4164.3 Ų64.319%0.19230%0.302CS..PPolyproline II helixtrans-60.8150.3161.5-77.8-174.8129.200111Q132 L133 P134 D135 R642Q132-E362 HydrophobicContact CB-CG 4.27Å; L133-E362 PolarHBondContact O-N 3.44Å; P134-E362 WeakPolarHBondContact CA-OE2 3.26Å; D135-E362 HydrophobicContact CB-CB 4.35Å; D135-E362 WeakPolarHBondContact CB-O 3.42Å; E362-R642 VanDerWaalsContact CD-CZ 3.48Å; E362-R642 IonicContact OE1-CZ 3.71Å; E362-R642 IonicContact OE1-NH1 3.74Å; E362-R642 PolarHBondContact OE1-NH1 3.33Å; E362-R642 IonicContact OE1-NH2 3.33Å; E362-R642 PolarHBondContact OE1-NH2 3.3Å; E362-R642 IonicContact OE2-CZ 3.48Å; E362-R642 VanDerWaalsContact OE2-CZ 3.26Å; E362-R642 IonicContact OE2-NH1 3.39Å; E362-R642 PolarHBondContact OE2-NH1 3.19Å; E362-R642 IonicContact OE2-NH2 3.56Å; E362-R642 PolarHBondContact OE2-NH2 3.48Å
363Q74.5Confident84.3Confident55 Ų5557.6 Ų57.626%0.25727%0.27SS..  trans-144.5149.2174.3-73.5160.3-43.800107D365 Q366 E369Q363-D365 VanDerWaalsContact C-N 3.31Å; Q363-D365 PolarHBondContact O-N 3.12Å; Q363-Q366 VanDerWaalsContact O-CG 3.28Å; Q363-Q366 WeakPolarHBondContact O-CG 3.29Å; Q363-E369 PolarHBondContact NE2-OE1 3.45Å; Q363-E369 PolarHBondContact NE2-OE2 2.98Å; Q363-E369 PolarHBondContact OE1-OE2 3.34Å
364R61.5Low84.5Confident202 Ų20254.2 Ų54.276%0.76224%0.242SC*.SBendtrans-65.5-32-179.6-59.8-154.6-76.2-110.75.5113.4Q366R364-Q366 PolarHBondContact O-N 3.43Å
365D64.9Low84.7Confident104 Ų10453 Ų5356%0.55624%0.237SC*.  trans-89.956.7177.7-71.90000112.5Q363 Q367 R368Q363-D365 VanDerWaalsContact C-N 3.31Å; Q363-D365 PolarHBondContact O-N 3.12Å; D365-Q367 PolarHBondContact O-N 3.2Å; D365-R368 HydrophobicContact CB-CB 4.22Å; D365-R368 PolarHBondContact O-N 3.04Å
366Q61.7Low84.6Confident126 Ų12652.9 Ų52.959%0.58924%0.236SC*.THydrogen-bonded Turntrans-54.9-21.8-177.7-63.2-169.13.600114.7Q363 R364 R368Q363-Q366 VanDerWaalsContact O-CG 3.28Å; Q363-Q366 WeakPolarHBondContact O-CG 3.29Å; R364-Q366 PolarHBondContact O-N 3.43Å; Q366-R368 VanDerWaalsContact C-N 3.29Å; Q366-R368 PolarHBondContact O-N 3.49Å
367Q59.8Low84.5Confident199 Ų19954 Ų5493%0.9324%0.242SC*.THydrogen-bonded Turntrans-71.1-17.3176.2-69.5-77.7-65.600114.1D365D365-Q367 PolarHBondContact O-N 3.2Å
368R67.3Low84.3Confident185 Ų18554.8 Ų54.870%0.69825%0.248SC*.THydrogen-bonded Turntrans-104.7-29.8-164.7-163175.1-173.3175.40.4114.9D365 Q366D365-R368 HydrophobicContact CB-CB 4.22Å; D365-R368 PolarHBondContact O-N 3.04Å; Q366-R368 VanDerWaalsContact C-N 3.29Å; Q366-R368 PolarHBondContact O-N 3.49Å
369E76.3Confident84.1Confident55 Ų5559.1 Ų59.126%0.25727%0.268SS..  trans-123.2124.6-177.9-73.2-178.4-129.800112S175 K177 Q363S175-E369 CarbonylContact O-C 3.51Å; S175-E369 WeakPolarHBondContact O-CA 3.49Å; K177-E369 VanDerWaalsContact CE-O 3.29Å; K177-E369 WeakPolarHBondContact CE-O 3.23Å; K177-E369 HydrophobicContact CG-CB 3.75Å; Q363-E369 PolarHBondContact NE2-OE1 3.45Å; Q363-E369 PolarHBondContact NE2-OE2 2.98Å; Q363-E369 PolarHBondContact OE1-OE2 3.34Å
370Q82.4Confident84Confident102 Ų10259.2 Ų59.248%0.47727%0.268SS..BIsolated β-bridgetrans-90.4137.2-179.9-61.4-176.63.700110.9S175 K177 V372S175-Q370 PolarHBondContact O-N 3.1Å; K177-Q370 PolarHBondContact N-O 3.42Å; K177-Q370 VanDerWaalsContact N-O 3.09Å; Q370-V372 HydrophobicContact CB-CG1 3.86Å
371A90.6Very high84Confident8 Ų865.5 Ų65.57%0.06630%0.295CS..  trans-80.1115167.600000108.7K177 L637 T639K177-A371 HydrophobicContact CD-CB 4.27Å; A371-L637 HydrophobicContact CB-CB 3.91Å; A371-L637 HydrophobicContact CB-CD1 4.32Å; A371-L637 WeakPolarHBondContact O-CB 3.25Å; A371-L637 PolarHBondContact O-N 2.98Å; A371-T639 HydrophobicContact CB-CG2 3.94Å
372V94.4Very high84.4Confident0 Ų065.5 Ų65.50%030%0.296CS..EExtended strand (participates in β ladder)trans-144.6155.1-169.2-67.20000110.9C176 Q370 I430 A634 G635 L636C176-V372 HydrophobicContact CB-CG2 3.95Å; Q370-V372 HydrophobicContact CB-CG1 3.86Å; V372-I430 HydrophobicContact CB-CD1 3.98Å; V372-I430 HydrophobicContact CG1-CD1 3.87Å; V372-I430 HydrophobicContact CG2-CD1 3.68Å; V372-A634 HydrophobicContact CB-CB 4.28Å; V372-G635 WeakPolarHBondContact CA-O 3.39Å; V372-L636 HydrophobicContact CG1-CD2 4.2Å
373I97.1Very high84.9Confident2 Ų265.6 Ų65.61%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-130.5122.3169.8-174.163.4000109.7W169 L179 V307 V309 P345 V347 A634 G635 L637W169-I373 HydrophobicContact CH2-CD1 3.68Å; W169-I373 HydrophobicContact CZ2-CD1 4.06Å; W169-I373 HydrophobicContact CZ3-CD1 4.36Å; L179-I373 HydrophobicContact CD1-CD1 4.02Å; V307-I373 HydrophobicContact CB-CG1 4.34Å; V307-I373 HydrophobicContact CG1-CG1 3.73Å; V307-I373 HydrophobicContact CG2-CG2 4.29Å; V309-I373 HydrophobicContact CG2-CD1 3.94Å; P345-I373 HydrophobicContact CG-CG2 3.91Å; V347-I373 HydrophobicContact CG1-CD1 3.83Å; V347-I373 HydrophobicContact CG1-CG1 3.91Å; V347-I373 HydrophobicContact CG2-CB 4.11Å; V347-I373 HydrophobicContact CG2-CG1 4.31Å; V347-I373 HydrophobicContact CG2-CG2 4Å; I373-A634 CarbonylContact O-C 3.49Å; I373-A634 VanDerWaalsContact O-CA 3.24Å; I373-A634 WeakPolarHBondContact O-CA 3.42Å; I373-A634 WeakPolarHBondContact O-CB 3.26Å; I373-G635 PolarHBondContact N-O 3.04Å; I373-G635 PolarHBondContact O-N 3.34Å; I373-L637 HydrophobicContact CB-CD2 4.37Å; I373-L637 HydrophobicContact CG2-CD2 3.83Å
374P97.3Very high86Confident3 Ų365.5 Ų65.52%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-60.3142174.2-26.437.2000112.2W168 W169 T376 I632 F633W168-P374 HydrophobicContact CH2-CB 4.1Å; W168-P374 HydrophobicContact CH2-CG 4.19Å; W168-P374 HydrophobicContact CZ2-CB 3.68Å; W168-P374 HydrophobicContact CZ2-CG 3.84Å; W169-P374 HydrophobicContact CB-CG 3.71Å; W169-P374 VanDerWaalsContact CD2-CD 3.49Å; W169-P374 HydrophobicContact CD2-CG 3.58Å; W169-P374 HydrophobicContact CE3-CG 3.48Å; W169-P374 VanDerWaalsContact CE3-CG 3.48Å; W169-P374 HydrophobicContact CG-CG 3.72Å; W169-P374 HydrophobicContact CZ3-CG 4.2Å; P374-T376 VanDerWaalsContact C-N 3.28Å; P374-I632 HydrophobicContact CB-CG2 3.89Å; P374-I632 HydrophobicContact CG-CG2 3.85Å; P374-F633 CarbonylContact C-O 3.57Å; P374-F633 WeakPolarHBondContact CA-O 3.25Å
375L98.1Very high87.7Confident0 Ų056.7 Ų56.70%027%0.274CS..SBendtrans-95.612.3173.1-50.4-178.3000111.4L330 L382 L383 L421 M425 V427 F633L330-L375 HydrophobicContact CD1-CB 4.49Å; L330-L375 HydrophobicContact CD2-CD2 3.95Å; L375-L382 WeakPolarHBondContact O-CD1 3.29Å; L375-L383 PolarHBondContact O-N 2.96Å; L375-L421 HydrophobicContact CD1-CD1 4.38Å; L375-M425 HydrophobicContact CD1-CE 4.41Å; L375-M425 HydrophobicContact CD1-SD 4.42Å; L375-M425 HydrophobicContact CD2-CE 3.67Å; L375-M425 HydrophobicContact CD2-SD 4.26Å; L375-V427 HydrophobicContact CD1-CG1 3.8Å; L375-V427 HydrophobicContact CD1-CG2 4.11Å; L375-F633 HydrophobicContact CB-CD1 3.82Å; L375-F633 HydrophobicContact CB-CE1 4.1Å; L375-F633 HydrophobicContact CD1-CD1 4.38Å; L375-F633 HydrophobicContact CD1-CE1 4.08Å; L375-F633 HydrophobicContact CD1-CZ 4.34Å; L375-F633 PolarHBondContact N-O 2.85Å
376T96.8Very high89.3Confident3 Ų352.5 Ų52.52%0.01825%0.251CS..BIsolated β-bridgetrans-125.5161.217563.60000110.8P374 K381 L621 F633P374-T376 VanDerWaalsContact C-N 3.28Å; T376-K381 CarbonylContact C-O 3.53Å; T376-K381 WeakPolarHBondContact CA-O 3.27Å; T376-K381 WeakPolarHBondContact CB-O 3.41Å; T376-L621 HydrophobicContact CG2-CD2 3.64Å; T376-F633 HydrophobicContact CG2-CB 4.21Å; T376-F633 HydrophobicContact CG2-CD1 4.44Å
377D95.1Very high91.1Very high23 Ų2346.8 Ų46.812%0.12322%0.224CC..  trans-70175.9159.354.736.3000111.9W168 E379 H380 K381 L383W168-D377 WeakPolarHBondContact CZ2-O 3.37Å; D377-E379 PolarHBondContact O-N 2.86Å; D377-E379 WeakPolarHBondContact OD1-CA 3.32Å; D377-E379 WeakPolarHBondContact OD1-CB 3.45Å; D377-E379 PolarHBondContact OD1-N 3.48Å; D377-H380 WeakPolarHBondContact O-CA 3.41Å; D377-H380 PolarHBondContact O-N 2.99Å; D377-H380 PolarHBondContact OD1-N 2.83Å; D377-H380 VanDerWaalsContact OD1-N 3.1Å; D377-K381 PolarHBondContact N-O 2.98Å; D377-K381 WeakPolarHBondContact OD1-CB 3.21Å; D377-K381 PolarHBondContact OD1-N 2.76Å; D377-K381 WeakPolarHBondContact OD2-CB 3.3Å; D377-L383 HydrophobicContact CB-CD2 4.47Å
378S92.9Very high92.8Very high17 Ų1738 Ų3812%0.11919%0.186CC..THydrogen-bonded Turntrans-60.9-17.217342.70000113.6H380S378-H380 VanDerWaalsContact C-N 3.28Å
379E91.8Very high94.2Very high90 Ų9030.2 Ų30.242%0.42116%0.159SC..THydrogen-bonded Turntrans-85.6-5.3175.6-65.766.8-108.100112.2R165 D377 K381 R629R165-E379 IonicContact NH1-OE2 3.25Å; D377-E379 PolarHBondContact O-N 2.86Å; D377-E379 WeakPolarHBondContact OD1-CA 3.32Å; D377-E379 WeakPolarHBondContact OD1-CB 3.45Å; D377-E379 PolarHBondContact OD1-N 3.48Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-R629 VanDerWaalsContact CA-NH2 3.34Å; E379-R629 PolarHBondContact O-NH2 3.07Å
380H91.9Very high95.2Very high4 Ų429.4 Ų29.42%0.01916%0.156CC..SBendtrans67.621.5-172.6-60.1-115.4000114.8D377 S378 A624 R629 F631D377-H380 WeakPolarHBondContact O-CA 3.41Å; D377-H380 PolarHBondContact O-N 2.99Å; D377-H380 PolarHBondContact OD1-N 2.83Å; D377-H380 VanDerWaalsContact OD1-N 3.1Å; S378-H380 VanDerWaalsContact C-N 3.28Å; H380-A624 HydrophobicContact CB-CB 3.65Å; H380-R629 VanDerWaalsContact CD2-CD 3.4Å; H380-R629 WeakPolarHBondContact CD2-CD 3.31Å; H380-F631 PolarHBondContact CE1-O 3.06Å; H380-F631 PolarHBondContact ND1-O 2.96Å
381K94.1Very high95.8Very high132 Ų13225.4 Ų25.457%0.57414%0.139SC*.PPolyproline II helixtrans-85.1139.8169.1161.7-166.7166.7-150.80108.9T376 D377 E379 L383T376-K381 CarbonylContact C-O 3.53Å; T376-K381 WeakPolarHBondContact CA-O 3.27Å; T376-K381 WeakPolarHBondContact CB-O 3.41Å; D377-K381 PolarHBondContact N-O 2.98Å; D377-K381 WeakPolarHBondContact OD1-CB 3.21Å; D377-K381 PolarHBondContact OD1-N 2.76Å; D377-K381 WeakPolarHBondContact OD2-CB 3.3Å; E379-K381 VanDerWaalsContact C-N 3.32Å; K381-L383 PolarHBondContact O-N 2.76Å
382L96.9Very high96Very high25 Ų2526 Ų2613%0.13115%0.146CC..BIsolated β-bridgetrans-60.2134.3179.9-166.577.4000110.9L375 L414 K417 L418 L421 L621 F633L375-L382 WeakPolarHBondContact O-CD1 3.29Å; L382-L414 HydrophobicContact CB-CD1 4.35Å; L382-L414 HydrophobicContact CD2-CD1 3.87Å; L382-K417 HydrophobicContact CD2-CB 4.09Å; L382-L418 HydrophobicContact CD1-CD2 4.34Å; L382-L421 HydrophobicContact CD1-CD1 3.87Å; L382-L421 HydrophobicContact CD2-CD1 4.27Å; L382-L621 HydrophobicContact CD1-CD1 4.08Å; L382-F633 HydrophobicContact CD1-CD1 3.88Å; L382-F633 HydrophobicContact CD1-CE1 3.67Å
383L97.7Very high96Very high43 Ų4331.1 Ų31.123%0.22518%0.177CC..PPolyproline II helixtrans-59.5158.1175.8-68.4175.5000111.7L330 L375 D377 K381 L385L330-L383 HydrophobicContact CD1-CB 4.03Å; L330-L383 HydrophobicContact CD2-CB 4.41Å; L330-L383 HydrophobicContact CD2-CD1 4.06Å; L330-L383 HydrophobicContact CG-CB 3.88Å; L330-L383 HydrophobicContact CG-CD1 4.43Å; L375-L383 PolarHBondContact O-N 2.96Å; D377-L383 HydrophobicContact CB-CD2 4.47Å; K381-L383 PolarHBondContact O-N 2.76Å; L383-L385 PolarHBondContact O-N 3.46Å
384A96.8Very high95.9Very high53 Ų5338.1 Ų38.144%0.43822%0.215SC..PPolyproline II helixtrans-59.5133.2175.400000110.4G329 L330G329-A384 CarbonylContact C-O 3.49Å; G329-A384 WeakPolarHBondContact CA-O 3.38Å; L330-A384 WeakPolarHBondContact CB-O 3.42Å; L330-A384 PolarHBondContact N-O 2.64Å
385L98.2Very high95.8Very high17 Ų1739.1 Ų39.19%0.08922%0.218CC..BIsolated β-bridgetrans-105.7104.3174.2-175.867.4000107.5L330 L332 L383 A388 K417 L420 L421L330-L385 HydrophobicContact CB-CD1 3.86Å; L332-L385 HydrophobicContact CD1-CD1 3.76Å; L332-L385 HydrophobicContact CG-CD1 3.83Å; L383-L385 PolarHBondContact O-N 3.46Å; L385-A388 HydrophobicContact CB-CB 4.43Å; L385-A388 HydrophobicContact CD2-CB 3.88Å; L385-A388 HydrophobicContact CG-CB 3.87Å; L385-K417 HydrophobicContact CD2-CB 4.25Å; L385-K417 HydrophobicContact CD2-CG 4.14Å; L385-L420 HydrophobicContact CD2-CD1 3.88Å; L385-L421 HydrophobicContact CD1-CD2 4.46Å
386H98.4Very high95.5Very high16 Ų1643.7 Ų43.77%0.07424%0.24CC..THydrogen-bonded Turntrans-77.5143.7-169.4-75.9-70.7000112.5P326 G328 L330 Y331 A388P326-H386 PolarHBondContact O-CE1 2.9Å; P326-H386 PolarHBondContact O-NE2 3.49Å; G328-H386 PolarHBondContact O-NE2 3.07Å; G328-H386 VanDerWaalsContact O-NE2 3.08Å; L330-H386 PolarHBondContact O-N 2.73Å; Y331-H386 HydrophobicContact CD1-CB 3.64Å; Y331-H386 HydrophobicContact CE1-CB 3.5Å; Y331-H386 AromaticContact CE1-CD2 3.56Å; Y331-H386 AromaticContact CE1-CG 3.56Å; Y331-H386 AromaticContact CE2-CD2 3.65Å; Y331-H386 HydrophobicContact CG-CB 4.4Å; Y331-H386 AromaticContact CZ-CD2 3.25Å; Y331-H386 AromaticContact CZ-CG 3.74Å; Y331-H386 AromaticContact CZ-NE2 3.79Å; Y331-H386 PolarHBondContact OH-CD2 3.42Å; Y331-H386 PolarHBondContact OH-NE2 2.99Å; H386-A388 PolarHBondContact O-N 3.19Å
387F98.3Very high95.3Very high5 Ų546.5 Ų46.52%0.02225%0.25CC..THydrogen-bonded Turntrans51.328.6175.9-55.6-73.9000114R229 W230 Q233 E292 F293 F296 Y331 V389R229-F387 HydrophobicContact CB-CB 4.17Å; R229-F387 WeakPolarHBondContact CD-O 3.28Å; R229-F387 PolarHBondContact NH1-O 2.77Å; W230-F387 HydrophobicContact CB-CE1 4.41Å; Q233-F387 HydrophobicContact CB-CD1 3.77Å; Q233-F387 HydrophobicContact CB-CE1 3.85Å; Q233-F387 HydrophobicContact CG-CD1 4.26Å; Q233-F387 HydrophobicContact CG-CE1 4.08Å; E292-F387 HydrophobicContact CG-CE2 4.17Å; E292-F387 HydrophobicContact CG-CZ 4.06Å; F293-F387 HydrophobicContact CB-CE1 4.43Å; F293-F387 HydrophobicContact CB-CE2 4.19Å; F293-F387 HydrophobicContact CB-CZ 3.79Å; F293-F387 HydrophobicContact CD2-CD1 4.15Å; F293-F387 HydrophobicContact CD2-CD2 4.31Å; F293-F387 AromaticContact CD2-CE1 3.93Å; F293-F387 HydrophobicContact CD2-CE1 3.93Å; F293-F387 HydrophobicContact CD2-CE2 4.11Å; F293-F387 HydrophobicContact CD2-CG 4.34Å; F293-F387 AromaticContact CD2-CZ 3.91Å; F293-F387 HydrophobicContact CD2-CZ 3.91Å; F293-F387 HydrophobicContact CG-CZ 4.33Å; F296-F387 HydrophobicContact CB-CD2 3.52Å; F296-F387 HydrophobicContact CB-CE2 3.99Å; F296-F387 HydrophobicContact CB-CG 4.36Å; F296-F387 HydrophobicContact CD1-CB 3.75Å; F296-F387 HydrophobicContact CD1-CD2 4.01Å; F296-F387 HydrophobicContact CD1-CG 4.01Å; F296-F387 HydrophobicContact CD2-CB 3.83Å; F296-F387 AromaticContact CD2-CD2 3.93Å; F296-F387 HydrophobicContact CD2-CD2 3.93Å; F296-F387 HydrophobicContact CD2-CG 4.33Å; F296-F387 HydrophobicContact CE1-CB 3.61Å; F296-F387 HydrophobicContact CE1-CG 4.35Å; F296-F387 HydrophobicContact CE2-CB 3.7Å; F296-F387 HydrophobicContact CG-CB 3.85Å; F296-F387 AromaticContact CG-CD2 3.56Å; F296-F387 HydrophobicContact CG-CD2 3.56Å; F296-F387 HydrophobicContact CG-CE2 4.48Å; F296-F387 AromaticContact CG-CG 3.99Å; F296-F387 HydrophobicContact CG-CG 3.99Å; F296-F387 HydrophobicContact CZ-CB 3.58Å; Y331-F387 HydrophobicContact CE1-CE2 4.39Å; F387-V389 PolarHBondContact O-N 3.15Å; F387-V389 VanDerWaalsContact O-N 3.15Å
388A97.3Very high94.9Very high16 Ų1648 Ų4813%0.13227%0.271CS..  trans-66.3-21.9-16600000114.7R229 L385 H386 L412R229-A388 PolarHBondContact NH1-O 3.33Å; L385-A388 HydrophobicContact CB-CB 4.43Å; L385-A388 HydrophobicContact CD2-CB 3.88Å; L385-A388 HydrophobicContact CG-CB 3.87Å; H386-A388 PolarHBondContact O-N 3.19Å; A388-L412 HydrophobicContact CB-CD1 3.46Å; A388-L412 VanDerWaalsContact CB-CD1 3.46Å
389V96.8Very high94.8Very high21 Ų2154.7 Ų54.713%0.12729%0.294CS..  trans-110.7122.4-176.8175.60000109.6W232 F387 L410 L412W232-V389 HydrophobicContact CD2-CG1 4.2Å; W232-V389 HydrophobicContact CG-CG1 4.34Å; W232-V389 HydrophobicContact CZ2-CG1 4.15Å; F387-V389 PolarHBondContact O-N 3.15Å; F387-V389 VanDerWaalsContact O-N 3.15Å; V389-L410 HydrophobicContact CG1-CB 4.06Å; V389-L410 HydrophobicContact CG1-CD1 4.42Å; V389-L410 HydrophobicContact CG1-CD2 4.2Å; V389-L410 HydrophobicContact CG1-CG 4.47Å; V389-L410 WeakPolarHBondContact CG2-O 3.43Å; V389-L412 HydrophobicContact CG2-CD1 3.78Å; V389-L412 HydrophobicContact CG2-CG 3.88Å
390D96.4Very high94.7Very high37 Ų3750.7 Ų50.720%0.19828%0.275CS..  trans-96.3124153.7176.318.7000106.8R228 R229 G392R228-D390 VanDerWaalsContact CB-OD1 3.3Å; R228-D390 WeakPolarHBondContact CB-OD1 3.44Å; R228-D390 IonicContact CZ-OD1 3.57Å; R228-D390 IonicContact CZ-OD2 3.27Å; R228-D390 IonicContact NE-OD1 2.85Å; R228-D390 PolarHBondContact NE-OD1 3.22Å; R228-D390 IonicContact NE-OD2 2.97Å; R228-D390 PolarHBondContact NE-OD2 3.2Å; R228-D390 IonicContact NH2-OD1 2.66Å; R228-D390 IonicContact NH2-OD2 3.3Å; R228-D390 PolarHBondContact NH2-OD2 2.9Å; R229-D390 HydrophobicContact CG-CB 3.79Å; D390-G392 PolarHBondContact O-N 2.97Å; D390-G392 PolarHBondContact OD1-N 2.69Å
391P95.5Very high94.4Very high18 Ų1851.3 Ų51.312%0.11728%0.278CS..  trans-70.1-13.4173.230-36.7000113.4W232 W395 W397 L410W232-P391 HydrophobicContact CB-CG 4.25Å; W232-P391 HydrophobicContact CD2-CG 4.49Å; W232-P391 HydrophobicContact CE3-CB 3.95Å; W232-P391 HydrophobicContact CE3-CG 4.06Å; W232-P391 HydrophobicContact CZ3-CB 4.33Å; P391-W395 HydrophobicContact CB-CB 3.93Å; P391-W395 HydrophobicContact CB-CD2 3.56Å; P391-W395 HydrophobicContact CB-CE3 3.76Å; P391-W395 HydrophobicContact CB-CG 3.63Å; P391-W395 HydrophobicContact CG-CB 4.26Å; P391-W395 HydrophobicContact CG-CD2 4.42Å; P391-W395 HydrophobicContact CG-CG 4.05Å; P391-W397 HydrophobicContact CG-CH2 3.91Å; P391-W397 HydrophobicContact CG-CZ2 4.14Å; P391-L410 HydrophobicContact CB-CD1 3.85Å
392G94.8Very high94Very high21 Ų2150.3 Ų50.322%0.21628%0.28CS..  trans96.2168.6178.400000113.9R228 D390 D394 W395R228-G392 WeakPolarHBondContact CD-O 3.43Å; D390-G392 PolarHBondContact O-N 2.97Å; D390-G392 PolarHBondContact OD1-N 2.69Å; G392-D394 VanDerWaalsContact C-N 3.32Å; G392-D394 PolarHBondContact O-N 2.68Å; G392-W395 WeakPolarHBondContact O-CB 3.28Å
393V94.8Very high93.7Very high107 Ų10752 Ų5265%0.64829%0.289SS*.THydrogen-bonded Turntrans-68.3-28.9-178.4-68.90000113.4W395V393-W395 PolarHBondContact O-N 3.47Å
394D94.2Very high93.3Very high150 Ų15056 Ų5680%0.80231%0.31SS*.THydrogen-bonded Turntrans-85.513.8-176.8-50.2-60.9000113.4G392G392-D394 VanDerWaalsContact C-N 3.32Å; G392-D394 PolarHBondContact O-N 2.68Å
395W94.5Very high93Very high24 Ų2458.6 Ų58.69%0.09132%0.321CS..  trans-84.8116.1-175.2-177.1-91.4000112.7W232 P391 G392 V393 W397 D400 D401 K406 L407 L410W232-W395 HydrophobicContact CE3-CZ2 4.41Å; W232-W395 HydrophobicContact CH2-CH2 4.41Å; W232-W395 HydrophobicContact CH2-CZ2 4.48Å; W232-W395 AromaticContact CZ3-CH2 3.89Å; W232-W395 HydrophobicContact CZ3-CH2 3.89Å; W232-W395 AromaticContact CZ3-CZ2 3.59Å; W232-W395 HydrophobicContact CZ3-CZ2 3.59Å; P391-W395 HydrophobicContact CB-CB 3.93Å; P391-W395 HydrophobicContact CB-CD2 3.56Å; P391-W395 HydrophobicContact CB-CE3 3.76Å; P391-W395 HydrophobicContact CB-CG 3.63Å; P391-W395 HydrophobicContact CG-CB 4.26Å; P391-W395 HydrophobicContact CG-CD2 4.42Å; P391-W395 HydrophobicContact CG-CG 4.05Å; G392-W395 WeakPolarHBondContact O-CB 3.28Å; V393-W395 PolarHBondContact O-N 3.47Å; W395-W397 AromaticContact CD1-CD2 3.62Å; W395-W397 AromaticContact CD1-CE2 3.76Å; W395-W397 AromaticContact CD1-CE3 3.82Å; W395-W397 AromaticContact NE1-CD2 3.97Å; W395-W397 AromaticContact NE1-CE3 3.71Å; W395-W397 PolarHBondContact O-N 2.68Å; W395-D400 HydrophobicContact CD2-CB 3.83Å; W395-D400 HydrophobicContact CE3-CB 3.98Å; W395-D400 HydrophobicContact CH2-CB 3.7Å; W395-D400 WeakPolarHBondContact CH2-O 3.31Å; W395-D400 HydrophobicContact CZ2-CB 3.52Å; W395-D400 HydrophobicContact CZ3-CB 3.93Å; W395-D401 HydrophobicContact CZ2-CB 3.97Å; W395-K406 HydrophobicContact CH2-CB 3.9Å; W395-K406 HydrophobicContact CZ3-CB 3.91Å; W395-K406 HydrophobicContact CZ3-CD 4.35Å; W395-L407 HydrophobicContact CH2-CD2 4.41Å; W395-L407 HydrophobicContact CZ2-CD2 4.46Å; W395-L410 HydrophobicContact CE3-CD1 3.97Å; W395-L410 HydrophobicContact CH2-CD1 3.78Å; W395-L410 HydrophobicContact CZ3-CD1 3.41Å; W395-L410 VanDerWaalsContact CZ3-CD1 3.41Å; W395-L410 HydrophobicContact CZ3-CG 4.47Å
396E92.6Very high92.5Very high96 Ų9661.5 Ų61.545%0.44933%0.333SS..  trans-85.194.2178.2-70.6-171.4-127.700111.9R399 D400E396-R399 HydrophobicContact CB-CB 4.11Å; E396-R399 PolarHBondContact O-N 3.44Å; E396-R399 VanDerWaalsContact O-N 3.14Å; E396-R399 IonicContact OE1-NE 3.73Å; E396-R399 IonicContact OE2-CZ 3.14Å; E396-R399 IonicContact OE2-NE 2.73Å; E396-R399 PolarHBondContact OE2-NE 2.94Å; E396-R399 IonicContact OE2-NH2 2.69Å; E396-R399 PolarHBondContact OE2-NH2 3.08Å; E396-D400 PolarHBondContact N-OD2 3.3Å; E396-D400 WeakPolarHBondContact O-CB 3.42Å; E396-D400 PolarHBondContact O-N 2.86Å
397W91.6Very high92Very high62 Ų6262 Ų6224%0.23534%0.336CS..THydrogen-bonded Turntrans-54.8141.3171.6-51.797.5000111.9R228 R231 W232 P391 W395 R399R228-W397 HydrophobicContact CG-CZ2 4.48Å; R231-W397 HydrophobicContact CB-CH2 3.96Å; R231-W397 HydrophobicContact CB-CZ2 4.27Å; R231-W397 HydrophobicContact CB-CZ3 4.47Å; R231-W397 HydrophobicContact CG-CD2 4.46Å; R231-W397 HydrophobicContact CG-CE3 4.16Å; R231-W397 HydrophobicContact CG-CH2 3.68Å; R231-W397 HydrophobicContact CG-CZ2 3.99Å; R231-W397 HydrophobicContact CG-CZ3 3.77Å; W232-W397 HydrophobicContact CB-CH2 4.15Å; P391-W397 HydrophobicContact CG-CH2 3.91Å; P391-W397 HydrophobicContact CG-CZ2 4.14Å; W395-W397 AromaticContact CD1-CD2 3.62Å; W395-W397 AromaticContact CD1-CE2 3.76Å; W395-W397 AromaticContact CD1-CE3 3.82Å; W395-W397 AromaticContact NE1-CD2 3.97Å; W395-W397 AromaticContact NE1-CE3 3.71Å; W395-W397 PolarHBondContact O-N 2.68Å; W397-R399 PolarHBondContact O-N 3Å
398G87.9Confident91.5Very high55 Ų5564.8 Ų64.857%0.56736%0.36SS*.THydrogen-bonded Turntrans83.8-29.4-173.800000113.7D401 N402G398-D401 WeakPolarHBondContact CA-OD1 3.48Å; G398-D401 PolarHBondContact N-OD1 3.26Å; G398-N402 PolarHBondContact O-ND2 3.48Å
399R89.8Confident91Very high157 Ų15768.6 Ų68.659%0.59239%0.385SS*.THydrogen-bonded Turntrans-97.3-60.9175.6-170.3-160.3-53-73.1-1.1111.6E396 W397 D401 N402E396-R399 HydrophobicContact CB-CB 4.11Å; E396-R399 PolarHBondContact O-N 3.44Å; E396-R399 VanDerWaalsContact O-N 3.14Å; E396-R399 IonicContact OE1-NE 3.73Å; E396-R399 IonicContact OE2-CZ 3.14Å; E396-R399 IonicContact OE2-NE 2.73Å; E396-R399 PolarHBondContact OE2-NE 2.94Å; E396-R399 IonicContact OE2-NH2 2.69Å; E396-R399 PolarHBondContact OE2-NH2 3.08Å; W397-R399 PolarHBondContact O-N 3Å; R399-D401 VanDerWaalsContact C-N 3.34Å; R399-D401 PolarHBondContact O-N 3.27Å; R399-N402 PolarHBondContact O-N 2.88Å; R399-N402 VanDerWaalsContact O-N 3.12Å
400D90.8Very high90.7Very high5 Ų569.3 Ų69.33%0.02739%0.388CS..G310 helixtrans-75.8-27.2-165.1-73.8-6.9000112.5W395 E396 N402 D403 K406W395-D400 HydrophobicContact CD2-CB 3.83Å; W395-D400 HydrophobicContact CE3-CB 3.98Å; W395-D400 HydrophobicContact CH2-CB 3.7Å; W395-D400 WeakPolarHBondContact CH2-O 3.31Å; W395-D400 HydrophobicContact CZ2-CB 3.52Å; W395-D400 HydrophobicContact CZ3-CB 3.93Å; E396-D400 PolarHBondContact N-OD2 3.3Å; E396-D400 WeakPolarHBondContact O-CB 3.42Å; E396-D400 PolarHBondContact O-N 2.86Å; D400-N402 PolarHBondContact O-N 3.26Å; D400-D403 PolarHBondContact O-N 2.91Å; D400-D403 VanDerWaalsContact O-N 3.13Å; D400-K406 HydrophobicContact CB-CD 3.7Å; D400-K406 VanDerWaalsContact CG-CD 3.42Å; D400-K406 WeakPolarHBondContact OD1-CD 3.48Å; D400-K406 IonicContact OD1-NZ 2.68Å; D400-K406 PolarHBondContact OD1-NZ 3.49Å; D400-K406 IonicContact OD2-NZ 2.67Å; D400-K406 PolarHBondContact OD2-NZ 2.84Å
401D85.9Confident90.3Very high17 Ų1773.6 Ų73.69%0.09141%0.41CS..G310 helixtrans-75.9-6.6173.975.1-71.8000112.8K239 W395 G398 R399 L407K239-D401 WeakPolarHBondContact CE-OD2 3.41Å; K239-D401 VanDerWaalsContact NZ-CB 3.34Å; K239-D401 PolarHBondContact NZ-O 2.97Å; K239-D401 IonicContact NZ-OD2 3.29Å; K239-D401 PolarHBondContact NZ-OD2 3.06Å; W395-D401 HydrophobicContact CZ2-CB 3.97Å; G398-D401 WeakPolarHBondContact CA-OD1 3.48Å; G398-D401 PolarHBondContact N-OD1 3.26Å; R399-D401 VanDerWaalsContact C-N 3.34Å; R399-D401 PolarHBondContact O-N 3.27Å; D401-L407 WeakPolarHBondContact O-CD1 3.42Å
402N85.4Confident90.2Very high112 Ų11275.1 Ų75.160%0.59942%0.416SS*.G310 helixtrans-98.8-8.7167.7-72.4-64.2000112.9G398 R399 D400 N404G398-N402 PolarHBondContact O-ND2 3.48Å; R399-N402 PolarHBondContact O-N 2.88Å; R399-N402 VanDerWaalsContact O-N 3.12Å; D400-N402 PolarHBondContact O-N 3.26Å; N402-N404 PolarHBondContact O-N 3.39Å
403D90.4Very high90.1Very high60 Ų6076.3 Ų76.332%0.32142%0.422SS..  trans-87.9101.8170.9-178.56.1000110.9D400 T405 K406 L407D400-D403 PolarHBondContact O-N 2.91Å; D400-D403 VanDerWaalsContact O-N 3.13Å; D403-T405 PolarHBondContact O-N 3.39Å; D403-T405 WeakPolarHBondContact OD1-CA 3.39Å; D403-T405 WeakPolarHBondContact OD1-CB 3.27Å; D403-T405 PolarHBondContact OD1-N 3.48Å; D403-T405 PolarHBondContact OD1-OG1 3.06Å; D403-K406 HydrophobicContact CB-CB 4.17Å; D403-K406 HydrophobicContact CB-CD 4.48Å; D403-K406 HydrophobicContact CB-CG 4.36Å; D403-K406 PolarHBondContact O-N 2.85Å; D403-L407 PolarHBondContact O-N 3.16Å
404N88.4Confident90.1Very high128 Ų12873.6 Ų73.668%0.68440%0.403SS*.Hα-helixtrans-52-25.2174.2-69.4-67.3000113.8N402 A408N402-N404 PolarHBondContact O-N 3.39Å; N404-A408 WeakPolarHBondContact O-CB 3.45Å; N404-A408 PolarHBondContact O-N 2.81Å
405T90.9Very high90.1Very high106 Ų10668.5 Ų68.565%0.6537%0.374SS*.Hα-helixtrans-74.1-46177.8-31.20000111.5D403 A408 S409D403-T405 PolarHBondContact O-N 3.39Å; D403-T405 WeakPolarHBondContact OD1-CA 3.39Å; D403-T405 WeakPolarHBondContact OD1-CB 3.27Å; D403-T405 PolarHBondContact OD1-N 3.48Å; D403-T405 PolarHBondContact OD1-OG1 3.06Å; T405-A408 PolarHBondContact O-N 2.91Å; T405-S409 PolarHBondContact O-N 3.49Å
406K88.9Confident90.2Very high78 Ų7868.1 Ų68.134%0.33938%0.377SS..Hα-helixtrans-65.8-43.9172.7-77.7-174.9174.4-171.50111.2W395 D400 D403 A408 S409 L410W395-K406 HydrophobicContact CH2-CB 3.9Å; W395-K406 HydrophobicContact CZ3-CB 3.91Å; W395-K406 HydrophobicContact CZ3-CD 4.35Å; D400-K406 HydrophobicContact CB-CD 3.7Å; D400-K406 VanDerWaalsContact CG-CD 3.42Å; D400-K406 WeakPolarHBondContact OD1-CD 3.48Å; D400-K406 IonicContact OD1-NZ 2.68Å; D400-K406 PolarHBondContact OD1-NZ 3.49Å; D400-K406 IonicContact OD2-NZ 2.67Å; D400-K406 PolarHBondContact OD2-NZ 2.84Å; D403-K406 HydrophobicContact CB-CB 4.17Å; D403-K406 HydrophobicContact CB-CD 4.48Å; D403-K406 HydrophobicContact CB-CG 4.36Å; D403-K406 PolarHBondContact O-N 2.85Å; K406-A408 PolarHBondContact O-N 3.12Å; K406-S409 PolarHBondContact O-N 3.47Å; K406-S409 PolarHBondContact O-OG 2.7Å; K406-L410 PolarHBondContact O-N 3.15Å
407L87.6Confident90.4Very high28 Ų2867 Ų6715%0.14737%0.37CS..Hα-helixtrans-55.6-50.2173.2-69.4-177.9000111.6W232 W395 D401 D403 S409 L410 I411W232-L407 HydrophobicContact CH2-CD2 3.61Å; W232-L407 HydrophobicContact CZ3-CD2 3.99Å; W395-L407 HydrophobicContact CH2-CD2 4.41Å; W395-L407 HydrophobicContact CZ2-CD2 4.46Å; D401-L407 WeakPolarHBondContact O-CD1 3.42Å; D403-L407 PolarHBondContact O-N 3.16Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 2.89Å; L407-L410 PolarHBondContact O-N 2.77Å; L407-L410 VanDerWaalsContact O-N 3.1Å; L407-I411 PolarHBondContact O-N 3.37Å
408A86.5Confident90.7Very high63 Ų6364 Ų6452%0.52136%0.359SS..Hα-helixtrans-64.1-27.8-17700000113.8N404 T405 K406 L410N404-A408 WeakPolarHBondContact O-CB 3.45Å; N404-A408 PolarHBondContact O-N 2.81Å; T405-A408 PolarHBondContact O-N 2.91Å; K406-A408 PolarHBondContact O-N 3.12Å; A408-L410 VanDerWaalsContact C-N 3.32Å
409S88.1Confident91.1Very high95 Ų9563.1 Ų63.166%0.66434%0.341SS*.Hα-helixtrans-73.7-23.417674.20000113.2T405 K406 L407T405-S409 PolarHBondContact O-N 3.49Å; K406-S409 PolarHBondContact O-N 3.47Å; K406-S409 PolarHBondContact O-OG 2.7Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 2.89Å
410L89.7Confident91.5Very high36 Ų3657.4 Ų57.419%0.18832%0.322CS..Hα-helixtrans-88.5-10.2176.6-67.7177.4000113.9W232 V389 P391 W395 K406 L407 A408 L412W232-L410 HydrophobicContact CE3-CD1 4.37Å; W232-L410 HydrophobicContact CH2-CB 4.02Å; W232-L410 HydrophobicContact CH2-CD1 3.47Å; W232-L410 VanDerWaalsContact CH2-CD1 3.47Å; W232-L410 HydrophobicContact CH2-CG 4.4Å; W232-L410 HydrophobicContact CZ2-CB 4.02Å; W232-L410 HydrophobicContact CZ2-CD1 4.1Å; W232-L410 HydrophobicContact CZ3-CD1 3.64Å; V389-L410 HydrophobicContact CG1-CB 4.06Å; V389-L410 HydrophobicContact CG1-CD1 4.42Å; V389-L410 HydrophobicContact CG1-CD2 4.2Å; V389-L410 HydrophobicContact CG1-CG 4.47Å; V389-L410 WeakPolarHBondContact CG2-O 3.43Å; P391-L410 HydrophobicContact CB-CD1 3.85Å; W395-L410 HydrophobicContact CE3-CD1 3.97Å; W395-L410 HydrophobicContact CH2-CD1 3.78Å; W395-L410 HydrophobicContact CZ3-CD1 3.41Å; W395-L410 VanDerWaalsContact CZ3-CD1 3.41Å; W395-L410 HydrophobicContact CZ3-CG 4.47Å; K406-L410 PolarHBondContact O-N 3.15Å; L407-L410 PolarHBondContact O-N 2.77Å; L407-L410 VanDerWaalsContact O-N 3.1Å; A408-L410 VanDerWaalsContact C-N 3.32Å; L410-L412 PolarHBondContact O-N 3.44Å
411I87.9Confident91.9Very high127 Ų12757.1 Ų57.165%0.65132%0.321SS*.SBendtrans-70.6104.9177.1-62.7175.9000110L407 S413L407-I411 PolarHBondContact O-N 3.37Å; I411-S413 PolarHBondContact O-N 2.89Å; I411-S413 VanDerWaalsContact O-N 3.15Å
412L92.8Very high92.4Very high50 Ų5058.7 Ų58.726%0.26233%0.328SS..  trans-62.3114.1176.1-69.2171.2000111.7A388 V389 L410 A416 K417 L420A388-L412 HydrophobicContact CB-CD1 3.46Å; A388-L412 VanDerWaalsContact CB-CD1 3.46Å; V389-L412 HydrophobicContact CG2-CD1 3.78Å; V389-L412 HydrophobicContact CG2-CG 3.88Å; L410-L412 PolarHBondContact O-N 3.44Å; L412-A416 HydrophobicContact CB-CB 4.46Å; L412-A416 HydrophobicContact CD2-CB 3.93Å; L412-K417 HydrophobicContact CB-CG 4Å; L412-K417 WeakPolarHBondContact O-CE 3.45Å; L412-L420 HydrophobicContact CD1-CD1 4.25Å
413S94.1Very high93Very high47 Ų4757.2 Ų57.233%0.32932%0.32SS..  trans-63.5163.2171.890.40000111.6I411 E415 A416 K417I411-S413 PolarHBondContact O-N 2.89Å; I411-S413 VanDerWaalsContact O-N 3.15Å; S413-E415 WeakPolarHBondContact CB-OE2 3.4Å; S413-E415 PolarHBondContact O-N 2.8Å; S413-E415 PolarHBondContact OG-N 3.32Å; S413-E415 PolarHBondContact OG-OE2 2.94Å; S413-A416 PolarHBondContact O-N 3.36Å; S413-A416 VanDerWaalsContact O-N 3.07Å; S413-A416 PolarHBondContact OG-N 3.33Å; S413-K417 PolarHBondContact O-N 3.2Å
414L94Very high93.3Very high49 Ų4955 Ų5526%0.25731%0.307SS..Hα-helixtrans-59-38.3178.2-17957.7000111.3L382 K417 L418 L618 L621L382-L414 HydrophobicContact CB-CD1 4.35Å; L382-L414 HydrophobicContact CD2-CD1 3.87Å; L414-K417 PolarHBondContact O-N 3.32Å; L414-L418 HydrophobicContact CD1-CD1 4.32Å; L414-L418 HydrophobicContact CD1-CG 4.36Å; L414-L418 HydrophobicContact CG-CD1 4.03Å; L414-L418 WeakPolarHBondContact O-CB 3.11Å; L414-L418 WeakPolarHBondContact O-CD1 3.21Å; L414-L418 WeakPolarHBondContact O-CG 3.18Å; L414-L418 PolarHBondContact O-N 3.48Å; L414-L618 HydrophobicContact CB-CD1 4.32Å; L414-L618 HydrophobicContact CD2-CD1 3.92Å; L414-L618 HydrophobicContact CG-CD1 4.02Å; L414-L621 HydrophobicContact CD1-CD1 4.5Å
415E95Very high93.7Very high43 Ų4349.2 Ų49.220%0.20128%0.276CS..Hα-helixtrans-61.8-41.5174.8-5676.5-169.700112.2S413 L418 N419 Y610 V614 L618 R622S413-E415 WeakPolarHBondContact CB-OE2 3.4Å; S413-E415 PolarHBondContact O-N 2.8Å; S413-E415 PolarHBondContact OG-N 3.32Å; S413-E415 PolarHBondContact OG-OE2 2.94Å; E415-L418 PolarHBondContact O-N 3.19Å; E415-N419 WeakPolarHBondContact O-CB 3.46Å; E415-N419 PolarHBondContact O-N 2.88Å; E415-Y610 HydrophobicContact CB-CD2 3.79Å; E415-Y610 HydrophobicContact CB-CE2 3.42Å; E415-Y610 VanDerWaalsContact CB-CE2 3.42Å; E415-Y610 HydrophobicContact CG-CE2 4.34Å; E415-V614 WeakPolarHBondContact O-CG1 3.48Å; E415-L618 HydrophobicContact CG-CD1 3.75Å; E415-L618 HydrophobicContact CG-CD2 3.45Å; E415-L618 VanDerWaalsContact CG-CD2 3.45Å; E415-L618 HydrophobicContact CG-CG 4.13Å; E415-L618 VanDerWaalsContact OE1-CD1 3.25Å; E415-L618 WeakPolarHBondContact OE1-CD1 3.27Å; E415-R622 IonicContact OE1-CZ 3.86Å; E415-R622 IonicContact OE1-NH2 2.78Å; E415-R622 PolarHBondContact OE1-NH2 2.73Å
416A95.6Very high93.9Very high17 Ų1747.5 Ų47.514%0.1426%0.262CS..Hα-helixtrans-67.4-42.6177.100000111.8L412 S413 N419 L420L412-A416 HydrophobicContact CB-CB 4.46Å; L412-A416 HydrophobicContact CD2-CB 3.93Å; S413-A416 PolarHBondContact O-N 3.36Å; S413-A416 VanDerWaalsContact O-N 3.07Å; S413-A416 PolarHBondContact OG-N 3.33Å; A416-N419 PolarHBondContact O-N 3.14Å; A416-L420 PolarHBondContact O-N 3.35Å
417K97.3Very high94.2Very high71 Ų7145.1 Ų45.131%0.30926%0.255SS..Hα-helixtrans-61.5-43.8174.6-66-177.6-178.5-175.30111.6L382 L385 L412 S413 L414 N419 L420 L421L382-K417 HydrophobicContact CD2-CB 4.09Å; L385-K417 HydrophobicContact CD2-CB 4.25Å; L385-K417 HydrophobicContact CD2-CG 4.14Å; L412-K417 HydrophobicContact CB-CG 4Å; L412-K417 WeakPolarHBondContact O-CE 3.45Å; S413-K417 PolarHBondContact O-N 3.2Å; L414-K417 PolarHBondContact O-N 3.32Å; K417-N419 VanDerWaalsContact C-N 3.34Å; K417-N419 PolarHBondContact O-N 2.83Å; K417-L420 PolarHBondContact O-N 3.26Å; K417-L421 WeakPolarHBondContact O-CG 3.34Å; K417-L421 PolarHBondContact O-N 2.87Å; K417-L421 VanDerWaalsContact O-N 3.09Å
418L97.4Very high94.6Very high0 Ų045.4 Ų45.40%026%0.257CS..Hα-helixtrans-63.3-38.2175.2-72.6169.6000112.5L382 L414 E415 L420 L421 H422 V614 L618 L621 F633L382-L418 HydrophobicContact CD1-CD2 4.34Å; L414-L418 HydrophobicContact CD1-CD1 4.32Å; L414-L418 HydrophobicContact CD1-CG 4.36Å; L414-L418 HydrophobicContact CG-CD1 4.03Å; L414-L418 WeakPolarHBondContact O-CB 3.11Å; L414-L418 WeakPolarHBondContact O-CD1 3.21Å; L414-L418 WeakPolarHBondContact O-CG 3.18Å; L414-L418 PolarHBondContact O-N 3.48Å; E415-L418 PolarHBondContact O-N 3.19Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L418-L421 PolarHBondContact O-N 3.27Å; L418-H422 PolarHBondContact O-CD2 3.43Å; L418-H422 VanDerWaalsContact O-CD2 3.32Å; L418-H422 PolarHBondContact O-N 3.33Å; L418-V614 HydrophobicContact CB-CG1 3.95Å; L418-L618 HydrophobicContact CD1-CB 4.03Å; L418-L618 HydrophobicContact CD1-CD1 4.25Å; L418-L621 HydrophobicContact CD1-CD1 4.34Å; L418-L621 HydrophobicContact CD2-CD1 3.87Å; L418-F633 HydrophobicContact CD2-CD1 4.46Å; L418-F633 HydrophobicContact CD2-CE1 3.43Å; L418-F633 VanDerWaalsContact CD2-CE1 3.43Å; L418-F633 HydrophobicContact CD2-CE2 4.47Å; L418-F633 HydrophobicContact CD2-CZ 3.42Å; L418-F633 VanDerWaalsContact CD2-CZ 3.42Å
419N97.5Very high94.9Very high37 Ų3745 Ų4520%0.19824%0.243CC..Hα-helixtrans-65.4-35.8175.1-164.995.1000112.4E415 A416 K417 N423 Y610 V614E415-N419 WeakPolarHBondContact O-CB 3.46Å; E415-N419 PolarHBondContact O-N 2.88Å; A416-N419 PolarHBondContact O-N 3.14Å; K417-N419 VanDerWaalsContact C-N 3.34Å; K417-N419 PolarHBondContact O-N 2.83Å; N419-N423 PolarHBondContact ND2-ND2 2.99Å; N419-N423 WeakPolarHBondContact O-CB 3.47Å; N419-N423 PolarHBondContact O-N 3.32Å; N419-N423 VanDerWaalsContact O-N 3.12Å; N419-N423 PolarHBondContact O-OD1 3.04Å; N419-Y610 HydrophobicContact CB-CD1 3.91Å; N419-Y610 HydrophobicContact CB-CE1 4.09Å; N419-Y610 WeakPolarHBondContact OD1-CD1 3.34Å; N419-V614 HydrophobicContact CB-CG1 4.34Å; N419-V614 HydrophobicContact CB-CG2 4.15Å
420L97.8Very high95.2Very high36 Ų3641.1 Ų41.119%0.18821%0.214CC..Hα-helixtrans-64.1-43.6171.4-68172.4000111.4L332 L334 L385 L412 A416 K417 L418 N423 Y424L332-L420 HydrophobicContact CD1-CB 4.07Å; L334-L420 HydrophobicContact CD2-CD1 4.47Å; L334-L420 HydrophobicContact CD2-CD2 4.12Å; L385-L420 HydrophobicContact CD2-CD1 3.88Å; L412-L420 HydrophobicContact CD1-CD1 4.25Å; A416-L420 PolarHBondContact O-N 3.35Å; K417-L420 PolarHBondContact O-N 3.26Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L420-N423 PolarHBondContact O-N 3.41Å; L420-Y424 HydrophobicContact CD2-CE2 4.32Å; L420-Y424 WeakPolarHBondContact O-CD2 3.43Å; L420-Y424 PolarHBondContact O-N 3.36Å
421L98.2Very high95.3Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-64.5-43.6179.1-65.4171.2000112.6L330 L332 L375 L382 L385 K417 L418 N423 Y424 M425 F633L330-L421 HydrophobicContact CD1-CD1 4.1Å; L330-L421 HydrophobicContact CD1-CD2 3.79Å; L332-L421 HydrophobicContact CD1-CD2 4.19Å; L332-L421 HydrophobicContact CD2-CD2 4.42Å; L375-L421 HydrophobicContact CD1-CD1 4.38Å; L382-L421 HydrophobicContact CD1-CD1 3.87Å; L382-L421 HydrophobicContact CD2-CD1 4.27Å; L385-L421 HydrophobicContact CD1-CD2 4.46Å; K417-L421 WeakPolarHBondContact O-CG 3.34Å; K417-L421 PolarHBondContact O-N 2.87Å; K417-L421 VanDerWaalsContact O-N 3.09Å; L418-L421 PolarHBondContact O-N 3.27Å; L421-N423 VanDerWaalsContact C-N 3.26Å; L421-N423 PolarHBondContact O-N 3.16Å; L421-Y424 PolarHBondContact O-N 3.05Å; L421-M425 HydrophobicContact CD2-SD 3.86Å; L421-M425 WeakPolarHBondContact O-CB 3.29Å; L421-M425 PolarHBondContact O-N 3.15Å; L421-F633 HydrophobicContact CD1-CE1 4.09Å
422H97.1Very high95.4Very high50 Ų5041.7 Ų41.723%0.23121%0.206CC..Hα-helixtrans-65.2-26.4174.1-83.5-79000113.7L418 D613 V614 S617L418-H422 PolarHBondContact O-CD2 3.43Å; L418-H422 VanDerWaalsContact O-CD2 3.32Å; L418-H422 PolarHBondContact O-N 3.33Å; H422-D613 PolarHBondContact NE2-O 3.32Å; H422-V614 HydrophobicContact CB-CG2 4.2Å; H422-S617 PolarHBondContact NE2-OG 3.4Å
423N97.1Very high95.1Very high81 Ų8141.3 Ų41.343%0.43321%0.206SC..Hα-helixtrans-78.3-40175.9-76.6-1.3000112.6P338 N419 L420 L421P338-N423 HydrophobicContact CB-CB 4.47Å; P338-N423 WeakPolarHBondContact CB-O 3.36Å; P338-N423 HydrophobicContact CG-CB 4.13Å; N419-N423 PolarHBondContact ND2-ND2 2.99Å; N419-N423 WeakPolarHBondContact O-CB 3.47Å; N419-N423 PolarHBondContact O-N 3.32Å; N419-N423 VanDerWaalsContact O-N 3.12Å; N419-N423 PolarHBondContact O-OD1 3.04Å; L420-N423 PolarHBondContact O-N 3.41Å; L421-N423 VanDerWaalsContact C-N 3.26Å; L421-N423 PolarHBondContact O-N 3.16Å
424Y97.8Very high94.2Very high14 Ų1442.8 Ų42.86%0.05522%0.217CC..Hα-helixtrans-99.4-12.6-172-76.9-80.3000114.7P305 L332 P333 L334 V336 P338 C341 C343 L420 L421P305-Y424 WeakPolarHBondContact CG-O 3.48Å; L332-Y424 HydrophobicContact CB-CD2 4.5Å; L332-Y424 HydrophobicContact CB-CG 4.44Å; L332-Y424 HydrophobicContact CD1-CD2 3.97Å; L332-Y424 HydrophobicContact CD1-CG 4.29Å; P333-Y424 HydrophobicContact CG-CD1 3.94Å; P333-Y424 HydrophobicContact CG-CE1 4.04Å; P333-Y424 WeakPolarHBondContact O-CE1 3.31Å; L334-Y424 HydrophobicContact CD2-CD2 4.1Å; L334-Y424 HydrophobicContact CD2-CE2 3.55Å; L334-Y424 PolarHBondContact O-OH 3.2Å; V336-Y424 WeakPolarHBondContact O-CE1 3.39Å; V336-Y424 PolarHBondContact O-OH 3.21Å; V336-Y424 VanDerWaalsContact O-OH 3.04Å; P338-Y424 HydrophobicContact CB-CD1 4.22Å; P338-Y424 HydrophobicContact CB-CE1 4.14Å; P338-Y424 HydrophobicContact CG-CD1 4.27Å; P338-Y424 HydrophobicContact CG-CD2 4.35Å; P338-Y424 HydrophobicContact CG-CE1 3.84Å; P338-Y424 HydrophobicContact CG-CE2 3.93Å; C341-Y424 HydrophobicContact CB-CD1 4.37Å; C343-Y424 WeakPolarHBondContact CA-O 3.48Å; L420-Y424 HydrophobicContact CD2-CE2 4.32Å; L420-Y424 WeakPolarHBondContact O-CD2 3.43Å; L420-Y424 PolarHBondContact O-N 3.36Å; L421-Y424 PolarHBondContact O-N 3.05Å
425M96.6Very high93.1Very high5 Ų549.2 Ų49.23%0.02525%0.245CC..SBendtrans-135.1150.4-173.5-60.1-178.467.100112.6P305 V307 L332 C343 P345 L375 L421 V427P305-M425 HydrophobicContact CB-CG 4.02Å; P305-M425 HydrophobicContact CB-SD 4.23Å; P305-M425 HydrophobicContact CG-CG 3.81Å; V307-M425 HydrophobicContact CG2-CE 4.16Å; L332-M425 HydrophobicContact CD2-CG 4.23Å; L332-M425 HydrophobicContact CD2-SD 4.07Å; C343-M425 CarbonylContact O-C 3.56Å; C343-M425 WeakPolarHBondContact O-CA 3.2Å; P345-M425 HydrophobicContact CB-CE 3.81Å; P345-M425 HydrophobicContact CG-CE 3.65Å; L375-M425 HydrophobicContact CD1-CE 4.41Å; L375-M425 HydrophobicContact CD1-SD 4.42Å; L375-M425 HydrophobicContact CD2-CE 3.67Å; L375-M425 HydrophobicContact CD2-SD 4.26Å; L421-M425 HydrophobicContact CD2-SD 3.86Å; L421-M425 WeakPolarHBondContact O-CB 3.29Å; L421-M425 PolarHBondContact O-N 3.15Å; M425-V427 HydrophobicContact CB-CG2 3.8Å; M425-V427 WeakPolarHBondContact O-CG2 3.35Å; M425-V427 PolarHBondContact O-N 2.79Å
426N94.9Very high91.8Very high70 Ų7050.1 Ų50.137%0.37425%0.254SS..  trans-81.398.7168.4-75.4-12.1000108.8C343 L636C343-N426 HydrophobicContact CB-CB 4.32Å; C343-N426 VanDerWaalsContact CB-OD1 3.22Å; C343-N426 WeakPolarHBondContact CB-OD1 3.43Å; C343-N426 PolarHBondContact O-N 2.85Å; N426-L636 HydrophobicContact CB-CB 4.23Å; N426-L636 HydrophobicContact CB-CD1 4.33Å; N426-L636 PolarHBondContact O-N 2.6Å
427V96.2Very high90.3Very high29 Ų2953.3 Ų53.318%0.17626%0.262CS..EExtended strand (participates in β ladder)trans-105.1142-170.5-164.20000112.3L375 M425 F633 A634L375-V427 HydrophobicContact CD1-CG1 3.8Å; L375-V427 HydrophobicContact CD1-CG2 4.11Å; M425-V427 HydrophobicContact CB-CG2 3.8Å; M425-V427 WeakPolarHBondContact O-CG2 3.35Å; M425-V427 PolarHBondContact O-N 2.79Å; V427-F633 HydrophobicContact CB-CE2 4.36Å; V427-F633 HydrophobicContact CG1-CD2 3.62Å; V427-F633 HydrophobicContact CG1-CE2 3.15Å; V427-F633 HydrophobicContact CG1-CZ 3.67Å; V427-A634 CarbonylContact C-O 3.5Å; V427-A634 WeakPolarHBondContact CA-O 3.13Å; V427-A634 WeakPolarHBondContact CG1-O 3.31Å
428T94.9Very high88.2Confident33 Ų3353.9 Ų53.920%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-136.2170-173.9-1660000113.8I430 A634 L636T428-I430 HydrophobicContact CG2-CG1 4.14Å; T428-A634 HydrophobicContact CG2-CB 4.21Å; T428-A634 PolarHBondContact N-O 3.13Å; T428-A634 PolarHBondContact O-N 2.77Å; T428-L636 HydrophobicContact CG2-CD2 3.67Å; T428-L636 HydrophobicContact CG2-CG 3.89Å
429W93.7Very high85.8Confident56 Ų5660 Ų6021%0.21232%0.32CS..EExtended strand (participates in β ladder)trans-122.199.5-177.7-64.4110.6000111.8R431 S617 I620 F631 F633W429-R431 PolarHBondContact O-N 2.66Å; W429-S617 WeakPolarHBondContact CZ2-OG 3.24Å; W429-I620 HydrophobicContact CD2-CD1 3.54Å; W429-I620 HydrophobicContact CE3-CB 4.36Å; W429-I620 HydrophobicContact CE3-CD1 3.53Å; W429-I620 HydrophobicContact CE3-CG2 3.89Å; W429-I620 HydrophobicContact CG-CD1 4.16Å; W429-I620 HydrophobicContact CH2-CB 4.04Å; W429-I620 HydrophobicContact CH2-CD1 4.05Å; W429-I620 HydrophobicContact CH2-CG2 4.18Å; W429-I620 HydrophobicContact CZ2-CD1 4.05Å; W429-I620 HydrophobicContact CZ3-CB 3.8Å; W429-I620 HydrophobicContact CZ3-CD1 3.78Å; W429-I620 HydrophobicContact CZ3-CG1 4.4Å; W429-I620 HydrophobicContact CZ3-CG2 3.44Å; W429-I620 VanDerWaalsContact CZ3-CG2 3.44Å; W429-F631 HydrophobicContact CB-CD1 4.35Å; W429-F631 HydrophobicContact CE3-CB 4.26Å; W429-F633 HydrophobicContact CD2-CD2 4.46Å; W429-F633 HydrophobicContact CE3-CB 4.36Å; W429-F633 HydrophobicContact CE3-CD2 4.07Å; W429-F633 HydrophobicContact CH2-CB 4.03Å; W429-F633 AromaticContact CH2-CD2 2.99Å; W429-F633 HydrophobicContact CH2-CD2 2.99Å; W429-F633 AromaticContact CH2-CE2 3.44Å; W429-F633 HydrophobicContact CH2-CE2 3.44Å; W429-F633 VanDerWaalsContact CH2-CE2 3.44Å; W429-F633 AromaticContact CH2-CG 3.69Å; W429-F633 HydrophobicContact CH2-CG 3.69Å; W429-F633 HydrophobicContact CH2-CZ 4.47Å; W429-F633 AromaticContact CZ2-CD2 3.5Å; W429-F633 HydrophobicContact CZ2-CD2 3.5Å; W429-F633 VanDerWaalsContact CZ2-CD2 3.5Å; W429-F633 AromaticContact CZ2-CE2 3.56Å; W429-F633 HydrophobicContact CZ2-CE2 3.56Å; W429-F633 HydrophobicContact CZ3-CB 3.58Å; W429-F633 AromaticContact CZ3-CD2 3.35Å; W429-F633 HydrophobicContact CZ3-CD2 3.35Å; W429-F633 HydrophobicContact CZ3-CE2 4.24Å; W429-F633 AromaticContact CZ3-CG 3.79Å; W429-F633 HydrophobicContact CZ3-CG 3.79Å
430I92.7Very high83.4Confident13 Ų1365 Ų657%0.06735%0.346CS..EExtended strand (participates in β ladder)trans-89.6112-178.6-41.4-178.2000108.7C176 V372 T428 I432 F631 I632 A634C176-I430 VanDerWaalsContact SG-CD1 3.58Å; V372-I430 HydrophobicContact CB-CD1 3.98Å; V372-I430 HydrophobicContact CG1-CD1 3.87Å; V372-I430 HydrophobicContact CG2-CD1 3.68Å; T428-I430 HydrophobicContact CG2-CG1 4.14Å; I430-I432 PolarHBondContact O-N 3.38Å; I430-F631 CarbonylContact O-C 3.58Å; I430-F631 VanDerWaalsContact O-CA 3.23Å; I430-F631 WeakPolarHBondContact O-CA 3.39Å; I430-I632 HydrophobicContact CB-CB 4.25Å; I430-I632 PolarHBondContact N-O 3.01Å; I430-I632 PolarHBondContact O-N 3.43Å; I430-A634 HydrophobicContact CD1-CB 3.9Å; I430-A634 HydrophobicContact CG1-CB 4.32Å
431R91.9Very high80.8Confident170 Ų17068 Ų6864%0.64238%0.376SS*.EExtended strand (participates in β ladder)trans-70.9116.2179.1179.9179.5172.6174.5-1.7109.8W429 F631W429-R431 PolarHBondContact O-N 2.66Å; R431-F631 HydrophobicContact CB-CD1 4.03Å; R431-F631 HydrophobicContact CB-CE1 3.92Å; R431-F631 HydrophobicContact CG-CE1 4.2Å
432I90.3Very high77.8Confident5 Ų576.2 Ų76.23%0.02641%0.414CS..PPolyproline II helixtrans-68.7127.8172.7-61171000107.7M172 I430 T436 R437 R629 K630 I632M172-I432 HydrophobicContact SD-CD1 4.28Å; I430-I432 PolarHBondContact O-N 3.38Å; I432-T436 WeakPolarHBondContact CG2-OG1 3.25Å; I432-R437 HydrophobicContact CG2-CG 4.16Å; I432-R437 PolarHBondContact O-NE 2.81Å; I432-R437 PolarHBondContact O-NH2 2.74Å; I432-R629 WeakPolarHBondContact CD1-O 3.24Å; I432-K630 PolarHBondContact N-O 2.82Å; I432-I632 HydrophobicContact CD1-CD1 4.41Å; I432-I632 HydrophobicContact CD1-CG1 3.77Å; I432-I632 HydrophobicContact CG1-CD1 4.22Å; I432-I632 HydrophobicContact CG1-CG1 3.79Å
433P86.8Confident75.2Confident41 Ų4179.6 Ų79.627%0.26644%0.441SS..PPolyproline II helixtrans-51.3159.2173.6-28.235.7000112.9E435 R437P433-E435 VanDerWaalsContact C-N 3.34Å; P433-R437 WeakPolarHBondContact O-CG 3.43Å; P433-R437 PolarHBondContact O-NE 3.25Å
434S75.4Confident72.3Confident78 Ų7885 Ų8555%0.54546%0.463SS..SBendtrans-72.3-31.3177.1-63.30000112.1R437S434-R437 PolarHBondContact O-N 3.33Å
435E71.5Confident69.3Low185 Ų18588.8 Ų88.886%0.86449%0.492SS*.THydrogen-bonded Turntrans-72.8-31.1-176.6-68.9135.6-143.100113.7P433 R437P433-E435 VanDerWaalsContact C-N 3.34Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.16Å
436T66.3Low66.7Low61 Ų6194.6 Ų94.637%0.37453%0.53SS..THydrogen-bonded Turntrans-85.12.3177.852.30000113.5M172 I432 A438M172-T436 WeakPolarHBondContact O-CB 3.38Å; M172-T436 PolarHBondContact O-OG1 3.15Å; I432-T436 WeakPolarHBondContact CG2-OG1 3.25Å; T436-A438 PolarHBondContact O-N 3.33Å
437R64Low63.9Low84 Ų8497.7 Ų97.732%0.31755%0.552SS.*SBendtrans-83.8115.5174.1-64.8167.9-163.9-171.4-4.1108.9I432 P433 S434 E435I432-R437 HydrophobicContact CG2-CG 4.16Å; I432-R437 PolarHBondContact O-NE 2.81Å; I432-R437 PolarHBondContact O-NH2 2.74Å; P433-R437 WeakPolarHBondContact O-CG 3.43Å; P433-R437 PolarHBondContact O-NE 3.25Å; S434-R437 PolarHBondContact O-N 3.33Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.16Å
438A54.3Low61Low83 Ų83100.9 Ų100.969%0.68658%0.581SS**  trans-50.5135.6171.100000110.3T436 L440T436-A438 PolarHBondContact O-N 3.33Å; A438-L440 PolarHBondContact O-N 3.35Å
439P46.2Very low58.4Low130 Ų130104.9 Ų104.984%0.84461%0.61SS**  trans-56.3115.2176.7-25.534.5000110.2A441P439-A441 PolarHBondContact O-N 3.01Å; P439-A441 VanDerWaalsContact O-N 3.14Å
440L47.6Very low55.5Low140 Ų140106.8 Ų106.873%0.73364%0.638SS**  trans-60.3119.5169.5-71.2171.7000107.3A438 Q442A438-L440 PolarHBondContact O-N 3.35Å; L440-Q442 PolarHBondContact O-N 3.48Å
441A43.7Very low52.6Low99 Ų99109.1 Ų109.182%0.81867%0.666SS**  trans-53.6115.717400000108.2P439P439-A441 PolarHBondContact O-N 3.01Å; P439-A441 VanDerWaalsContact O-N 3.14Å
442Q34.7Very low49.8Very low174 Ų174109.7 Ų109.781%0.81368%0.676SS**  trans-66.3134.5-173.9-65.8-154.2-2.700109.4L440 E444L440-Q442 PolarHBondContact O-N 3.48Å; Q442-E444 PolarHBondContact O-N 2.98Å; Q442-E444 VanDerWaalsContact O-N 3.11Å
443P41.8Very low47.2Very low121 Ų121116.3 Ų116.379%0.78671%0.711SS**  trans-65.4113.9168.527.9-31.6000107.5S445P443-S445 PolarHBondContact O-N 3.18Å
444E36.5Very low44.7Very low193 Ų193119.6 Ų119.690%0.90273%0.73SS**  trans-56110.7177.5-68-173.2146.400109.6Q442 P446Q442-E444 PolarHBondContact O-N 2.98Å; Q442-E444 VanDerWaalsContact O-N 3.11Å; E444-P446 WeakPolarHBondContact O-CD 3.47Å
445S35.7Very low42.6Very low94 Ų94123.8 Ų123.866%0.65774%0.741SS**  trans-73.8121.2179.149.90000109.2P443 T447P443-S445 PolarHBondContact O-N 3.18Å; S445-T447 PolarHBondContact O-N 3.13Å
446P40.9Very low40.7Very low128 Ų128119.9 Ų119.983%0.83173%0.734SS**  trans-67.1107.8-177.726.9-33.8000109.8E444 A448E444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-A448 PolarHBondContact O-N 3.44Å; P446-A448 VanDerWaalsContact O-N 3.1Å
447T36.2Very low39.1Very low135 Ų135124.6 Ų124.683%0.82876%0.756SS**  trans-74.1101.5176.9-61.60000108.8S445S445-T447 PolarHBondContact O-N 3.13Å
448A35.6Very low37.6Very low95 Ų95124.2 Ų124.279%0.78577%0.771SS**  trans-76.8135.5173.400000110.5P446P446-A448 PolarHBondContact O-N 3.44Å; P446-A448 VanDerWaalsContact O-N 3.1Å
449S40.9Very low36.6Very low117 Ų117129.2 Ų129.282%0.81878%0.78SS**  trans-78.6154.9-174-175.60000113.9
450A33.3Very low35.8Very low97 Ų97128.2 Ų128.280%0.80278%0.776SS**  trans-156.3134161.800000111.2
451G30.9Very low35.2Very low62 Ų62129 Ų12964%0.63978%0.778SS**  trans7698.1174.200000114.1
452E34.3Very low34.5Very low182 Ų182130.5 Ų130.585%0.8577%0.772SS**  90.2119.656.6-68.8179.9140.400114.6
453D35.3Very low34.5Very low143 Ų143128.2 Ų128.277%0.76578%0.776SS**  trans78.8112.2139-75.918.7000124.8
454V34.2Very low34.3Very low110 Ų110129.9 Ų129.967%0.66778%0.778SS**  112.5130.4113.7159.80000120.6
455Q31.6Very low34.5Very low167 Ų167130.7 Ų130.778%0.7877%0.773SS**  trans71.3110.7159.5-109.5126.430.500122.9
456S31.4Very low34.5Very low102 Ų102133.4 Ų133.471%0.71378%0.775SS**  74.4157.4127.777.90000118.9
457L32.4Very low34.3Very low160 Ų160132.6 Ų132.684%0.83877%0.772SS**  cis-162.5153.8-12.4-122.3169.6000108.9
458A32.4Very low34Very low76 Ų76132.8 Ų132.863%0.62877%0.773SS**  trans65162.4154.700000117.9
459E32.5Very low33.7Very low188 Ų188131.6 Ų131.688%0.87977%0.77SS**  cis-163.8-170.9-22.1-111.9174151.900109.7
460S31Very low33.2Very low110 Ų110131.1 Ų131.177%0.76977%0.767SS**  trans78.2103.5171.5-159.40000115.8
461M33.1Very low33.1Very low155 Ų155133.8 Ų133.876%0.76477%0.767SS**  86.1115.357.4-74.9-163.371.400115.8
462D30.5Very low33.4Very low132 Ų132134.6 Ų134.671%0.70676%0.763SS**  trans36130.5135.2-52.1-15.1000122.4
463S34.4Very low33.2Very low126 Ų126132.5 Ų132.588%0.88176%0.758SS**  -165.1144.4111.7-78.30000112
464D38Very low33.1Very low156 Ų156131.4 Ų131.483%0.83475%0.751SS**  trans-105.6174.9-175.6-94.2-41.8000113.6
465R39.1Very low33.1Very low210 Ų210132.6 Ų132.679%0.79275%0.754SS**  trans89.4154156.1-49.2-156-179.6175.9-0117.8
466E36.4Very low32.9Very low150 Ų150131.2 Ų131.270%0.70176%0.757SS**  cis-147.3147.413.2-145.9142-12900112.9
467S36.8Very low32.8Very low111 Ų111129.9 Ų129.978%0.77676%0.759SS**  trans39149.1132.2-140.50000121.5
468V31Very low32.9Very low139 Ų139132.1 Ų132.184%0.84276%0.762SS**  cis-144.2175.329.3-74.10000110.1
469G27.8Very low33.8Very low70 Ų70133.9 Ų133.972%0.72277%0.767SS**  cis-169.8-166.78.300000111.8
470S31.3Very low33.6Very low107 Ų107130.1 Ų130.175%0.74876%0.761SS**  trans-130163.4-148.9-37.40000117.9
471N31.5Very low33.5Very low153 Ų153133.9 Ų133.982%0.81876%0.764SS**  trans74.3155.7141.6-75.61000120.1
472S36.7Very low33.3Very low80 Ų80132 Ų13256%0.55975%0.753SS**  cis-176.1-176.5-11.551.80000112.6
473N29.2Very low33.4Very low137 Ų137133.9 Ų133.973%0.73376%0.755SS**  trans81.9148.3142.4-77.1-4000121.3
474I33.7Very low33.3Very low121 Ų121133.2 Ų133.262%0.62174%0.741SS**  cis-165.5149.5-20.8-135.5172.7000112.4
475N33.4Very low33Very low135 Ų135133.9 Ų133.972%0.72274%0.737SS**  trans48.1174.4158.3-58.5-20.9000120.2
476T28.1Very low32.6Very low138 Ų138129.7 Ų129.785%0.84773%0.73SS**  cis-157.2159.29.8-26.60000111.9
477G28.5Very low32.4Very low73 Ų73130 Ų13075%0.75373%0.729SS**  trans106.8148.2138.800000120.9
478K36.2Very low32Very low208 Ų208132 Ų13290%0.90473%0.726SS**  trans-122.3-172.3168.4-51.7179.3175.9176.10108.1
479P51.4Low32Very low112 Ų112136 Ų13673%0.72773%0.726SS**  cis-140.7176.1-6.240.9-22.2000117.8
480S27.2Very low32Very low110 Ų110141.3 Ų141.377%0.76973%0.73SS**  119.4135.913080.70000120.7
481K29.2Very low31.8Very low188 Ų188142.2 Ų142.282%0.81773%0.726SS**  trans49.3157.8152.5-70.8-163.8165-171.70122.7
482E29.5Very low31.9Very low116 Ų116144.2 Ų144.254%0.54273%0.727SS.*  cis-175.2133.3-34.2-166-177.7157.500109.3
483K32.4Very low31.8Very low171 Ų171145.5 Ų145.574%0.74374%0.737SS**  trans65.1156.7161.4-87.9164.8-169.2150.50118.2
484D32.2Very low31.9Very low112 Ų112150 Ų15060%0.59974%0.743SS**  cis-154.3166.4-12-158.74.7000110.9
485K31.9Very low31.9Very low170 Ų170149.3 Ų149.374%0.73975%0.745SS**  trans61.4110.9150.1-86.2167.7-170.3121.40124.6
486D30.1Very low31.7Very low122 Ų122149.2 Ų149.265%0.65274%0.744SS**  109.1142.3108.5-152.122.8000121.5
487K31.9Very low31.8Very low157 Ų157148.7 Ų148.768%0.68375%0.746SS**  trans56.8116.1163.5-81.9164.2-169.1103.10124.1
488Q28.8Very low31.8Very low152 Ų152151.7 Ų151.771%0.7175%0.75SS**  86.4130.3129.4-77.7-161.730.600123.6
489R29.9Very low31.6Very low223 Ų223145.2 Ų145.284%0.84274%0.735SS**  trans74.4119.2142.2-73.8179.6179.1-130.5-4.7121.1
490K28.1Very low30.7Very low182 Ų182147.2 Ų147.279%0.79174%0.739SS**  trans104110.6130.5-157.8175.1-178.2-178.60119.8
491D28.8Very low30.7Very low127 Ų127153.2 Ų153.268%0.67975%0.745SS**  trans50.7128.5143.9-51.6-24.8000124.5
492K32Very low30.6Very low194 Ų194152.8 Ų152.884%0.84375%0.751SS**  trans79101.2139-79.6-176.6174.7-178.60122.1
493S34.6Very low30.5Very low108 Ų108150.1 Ų150.176%0.75576%0.755SS**  75.6116.3120.167.60000122.1
494R31.9Very low30.4Very low231 Ų231147.4 Ų147.487%0.87276%0.757SS**  -147.6132.7125.1-97.8167.5172147.1-2.5106.7
495T33.2Very low30.3Very low107 Ų107151.6 Ų151.666%0.65677%0.77SS**  51.2135.185.886.80000112.7
496D30.1Very low30.4Very low132 Ų132149.3 Ų149.371%0.70678%0.776SS**  cis-149.3159.219.2-75.4-81.8000112.9
497S29.6Very low30.7Very low127 Ų127152 Ų15289%0.88878%0.782SS**  trans-170.5143.2140.3-850000112
498V29.1Very low30.7Very low137 Ų137150.5 Ų150.583%0.8379%0.786SS**  trans-106.9134.4-164.4174.20000113.7
499A31.5Very low30.8Very low71 Ų71150 Ų15059%0.58779%0.788SS**  trans-22.6147167.400000120.5
500N32.5Very low30.7Very low154 Ų154142.1 Ų142.182%0.82478%0.776SS**  175.1124.699.6-93.9-40000114.7
501R27.5Very low31Very low237 Ų237140.4 Ų140.489%0.89477%0.773SS**  165.1128128.4-93.8178.3178.2-148.3-1.5114
502L28.1Very low31.3Very low178 Ų178144.6 Ų144.693%0.93279%0.786SS**  trans54149.1153-98.570.4000122.2
503G26.5Very low31.3Very low60 Ų60143.1 Ų143.162%0.61979%0.786SS**  trans102.8106.5177.500000111.7
504S29.2Very low31.1Very low115 Ų115147.2 Ų147.280%0.80479%0.79SS**  cis61.47022.6-1600000114.5
505F31.3Very low31.2Very low199 Ų199145.6 Ų145.687%0.87379%0.789SS**  trans-148.472.3162.1-89-64.5000112.9K507F505-K507 PolarHBondContact O-N 3.45Å
506S34.1Very low31.1Very low122 Ų122147.6 Ų147.685%0.85380%0.796SS**  trans-79.689.6161.4-56.90000109.9
507K35.3Very low31Very low180 Ų180150.6 Ų150.678%0.78381%0.808SS**  trans-176.1140.7166-105.5145.9-171172.90114.4F505F505-K507 PolarHBondContact O-N 3.45Å
508T32.8Very low30.8Very low124 Ų124148.5 Ų148.576%0.76181%0.807SS**  trans64152.315056.50000118.6
509L30.3Very low30.7Very low143 Ų143145.3 Ų145.375%0.74980%0.802SS**  cis-160.2167.3-9.8-107.1162000106.2I511L509-I511 HydrophobicContact CD2-CD1 3.57Å; L509-I511 HydrophobicContact CD2-CG1 3.95Å
510G28.1Very low30.6Very low57 Ų57150.7 Ų150.759%0.58882%0.82SS**  cis-171151.20.200000110.8
511I33.7Very low30.3Very low145 Ų145146.7 Ų146.774%0.74482%0.815SS**  53108.6100.5-54179.8000114.3L509L509-I511 HydrophobicContact CD2-CD1 3.57Å; L509-I511 HydrophobicContact CD2-CG1 3.95Å
512K35.5Very low30.3Very low216 Ų216138.5 Ų138.594%0.93981%0.805SS**  trans-13751.3156.1-146.3-178.7-169.9-178.40112.5
513L33Very low30.3Very low163 Ų163137.6 Ų137.685%0.85380%0.8SS**  trans-113.2131.5165.2-97.3166.3000110.2
514K30.2Very low30.5Very low193 Ų193140.1 Ų140.184%0.83980%0.803SS**  trans-85.5119-167.2-177.3178.7177.5-1780110.2N516K514-N516 PolarHBondContact O-N 3.2Å
515K33.7Very low30.3Very low197 Ų197143.8 Ų143.886%0.85781%0.807SS**  trans-55.3136.7170.5-66.4178.6178179.10110.2
516N30Very low30Very low150 Ų150137.7 Ų137.780%0.80280%0.8SS**  trans-150.7139.2156.3-125.65.2000110.8K514K514-N516 PolarHBondContact O-N 3.2Å
517M28.5Very low29.5Very low194 Ų194141 Ų14196%0.95680%0.799SS**  trans64.7118.2170.6-151.1156.66800117.7
518G26.6Very low29.1Very low84 Ų84139.6 Ų139.687%0.86680%0.797SS**  trans167.547.9179.600000115.1
519G25.5Very low28.8Very low70 Ų70140.6 Ų140.672%0.72280%0.798SS**  trans157.195.2170.900000116.5
520L30.1Very low28.6Very low183 Ų183143.3 Ų143.396%0.95880%0.804SS**  180153.3114.9-98.8165.6000111
521G26.6Very low28.7Very low71 Ų71146.5 Ų146.573%0.73282%0.817SS**  trans-137.4123.1174.100000111.2
522G28Very low28.5Very low65 Ų65146.7 Ų146.767%0.6782%0.82SS**  trans96.8152.3175.500000115.2
523L27.6Very low28.2Very low159 Ų159142.5 Ų142.583%0.83282%0.818SS**  cis-165.3163.1-10.5-127153.5000110.9
524V29.8Very low28.1Very low112 Ų112137.7 Ų137.768%0.67981%0.807SS**  trans64128.9164.7-83.30000123.8
525H25.7Very low28Very low193 Ų193134.7 Ų134.789%0.89481%0.81SS**  trans63129.7142-68.4-55.7000123.5
526G24.7Very low27.8Very low71 Ų71128.8 Ų128.873%0.73281%0.805SS**  trans147.555.9165.300000115.1
527K24.3Very low28Very low190 Ų190132.4 Ų132.483%0.82681%0.807SS**  75.4136.695.4-152.4-163.2-176.5179.40114.8
528M26.2Very low28Very low151 Ų151130.8 Ų130.874%0.74480%0.803SS**  trans92.1120.8162.2-51.3175.466.900119.5
529N26.9Very low28.2Very low145 Ų145130.5 Ų130.578%0.77580%0.8SS**  trans46117.8147.4-60.4-1.8000120.5
530K26.4Very low28.4Very low201 Ų201135.3 Ų135.387%0.87480%0.803SS**  85.99558.3-174.5-164.3173.1-178.40114
531S30.1Very low28.4Very low123 Ų123133.4 Ų133.486%0.8679%0.794SS**  trans-145.3145139.653.80000108.1
532N28.9Very low28.6Very low150 Ų150134 Ų13480%0.80280%0.8SS**  trans-140.1139.8-174.7-179.666.7000109.6
533S30.5Very low28.7Very low128 Ų128134.4 Ų134.490%0.89580%0.804SS**  trans-14063.6178.160.40000111.3
534G29.2Very low28.8Very low61 Ų61134 Ų13463%0.62980%0.798SS**  trans-103.8134.7166.100000110.8
535S28.6Very low28.9Very low131 Ų131137.5 Ų137.592%0.91680%0.804SS**  trans-96.7142.6173.4-1750000110.1
536G29.5Very low29.1Very low72 Ų72133.4 Ų133.474%0.74280%0.804SS**  trans15756.9177.600000119.3
537R33.9Very low29.5Very low226 Ų226139.3 Ų139.385%0.85381%0.81SS**  trans13.2124.4152.4-57.3169.175166.93120.9
538N29.7Very low29.8Very low161 Ų161139.5 Ų139.586%0.86181%0.811SS**  trans60.4144.6140.5-60.920.6000121.8
539G30Very low30Very low77 Ų77140.2 Ų140.279%0.79481%0.809SS**  trans16713.8165.400000123.8
540E30.6Very low30.1Very low171 Ų171139.2 Ų139.280%0.79980%0.8SS**  trans49142.1159.7-95.6-177.685.900125.6
541N30.4Very low30.4Very low143 Ų143134.5 Ų134.577%0.76579%0.793SS**  trans80.6142.3148.9-62.5-34.3000123.6
542G29.2Very low30.6Very low83 Ų83136.9 Ų136.986%0.85679%0.787SS**  trans-87.4-159.5-161.200000118.4
543G30Very low30.7Very low74 Ų74133.7 Ų133.776%0.76378%0.782SS**  cis177.6-175.9300000114.8
544E31.3Very low30.9Very low152 Ų152133.5 Ų133.571%0.7178%0.776SS**  trans66.495.8159.1-63.2-82.675.300122.8
545K31.2Very low31Very low184 Ų184140.7 Ų140.780%0.879%0.79SS**  29.7128.3126.6-51.9169.7-165.6130.90122.4
546A29.6Very low30.9Very low108 Ų108137.6 Ų137.689%0.89378%0.779SS**  -160.7168.812900000113.3
547K32.3Very low30.9Very low195 Ų195140.3 Ų140.385%0.84879%0.786SS**  trans-158.6167.7-131.8-172.5177-177.8175.50112.5
548K31.6Very low30.8Very low194 Ų194137.3 Ų137.384%0.84378%0.779SS**  trans78.2155172.6-78.7-179.2177175.10116.1
549K29.4Very low30.7Very low165 Ų165137 Ų13772%0.71777%0.773SS**  cis-171124.3-10.8173.6-177.5-173.9-161.90108
550E30.9Very low30.6Very low124 Ų124140.3 Ų140.358%0.57977%0.772SS**  85.3150.474.5-152.2-141.2151.300117.3K552E550-K552 IonicContact OE1-NZ 2.67Å; E550-K552 PolarHBondContact OE1-NZ 3.14Å
551S32.3Very low30.5Very low103 Ų103137.4 Ų137.472%0.7277%0.771SS**  trans97.7154.4168.4750000118.4
552K33.6Very low30.4Very low172 Ų172134 Ų13475%0.74877%0.77SS**  cis160.9160.9-30.8-93157.7177.5159.10106.6E550E550-K552 IonicContact OE1-NZ 2.67Å; E550-K552 PolarHBondContact OE1-NZ 3.14Å
553A32Very low30.4Very low84 Ų84138.8 Ų138.869%0.69477%0.769SS**  cis-173.3-173.7-21.900000106.2
554T32.7Very low30.3Very low124 Ų124139.5 Ų139.576%0.76176%0.763SS**  cis-169.6161.27.3-17.60000110.9
555K32.4Very low30.1Very low211 Ų211138.8 Ų138.892%0.91777%0.769SS**  trans68.5157.2159.2-74.2-179.6170.3-177.60119.9
556G27.3Very low29.8Very low67 Ų67134.6 Ų134.669%0.69176%0.763SS**  cis163.3167.1-10.600000116.1
557S29.1Very low29.7Very low128 Ų128134.2 Ų134.290%0.89575%0.753SS**  trans73.2157.2172.1-69.90000119.8
558K31.9Very low29.3Very low164 Ų164131.6 Ų131.671%0.71375%0.754SS**  cis-173.3159.5-31.8-156.4-160.1167.2-163.80109.7
559E26.8Very low29Very low154 Ų154127.8 Ų127.872%0.7275%0.752SS**  trans68.9153.2162.8-71.7164.5-172.600119.3
560D27.4Very low29Very low147 Ų147124.9 Ų124.979%0.78675%0.752SS**  cis-165.3164.8-29.8-170.530.4000112.5
561S28.8Very low28.9Very low109 Ų109127.6 Ų127.676%0.76277%0.765SS**  trans74.8153.9158.180.50000122.1
562G28.9Very low28.6Very low73 Ų73132.8 Ų132.875%0.75378%0.775SS**  trans131.756.8144.900000124.1
563H29.9Very low28.2Very low182 Ų182128.8 Ų128.884%0.84377%0.774SS**  trans35.7114.2147.2-99.372.9000124.4
564S27.8Very low28Very low89 Ų89131.6 Ų131.662%0.62278%0.782SS**  49.1151.2117-50.30000125.8
565T25.4Very low27.8Very low138 Ų138131.2 Ų131.285%0.84779%0.785SS**  trans76.3152.3164.972.10000118.5
566S26.5Very low28Very low96 Ų96127 Ų12767%0.67178%0.779SS**  cis-164161.6-34.558.10000112.1
567S25.8Very low28Very low99 Ų99129.6 Ų129.669%0.69279%0.787SS**  trans67.6152.114554.40000123.3
568T25.3Very low28.4Very low141 Ų141129.5 Ų129.587%0.86578%0.783SS**  trans68.3115.3157.242.20000120.8
569S25.9Very low28.3Very low113 Ų113127.5 Ų127.579%0.7979%0.785SS**  trans-96.9155.7163.553.30000111.9
570S27.5Very low28.5Very low104 Ų104127.9 Ų127.973%0.72779%0.792SS**  trans-156.1131.7136-123.40000113.7
571E28.7Very low28.5Very low182 Ų182125 Ų12585%0.8580%0.796SS**  trans31.1120.9142.1-54.1-177.9128.500121.5
572K26.2Very low28.4Very low211 Ų211126.4 Ų126.492%0.91780%0.795SS**  -156.5151.4107.2-156.4158.6-175.4172.40111.3
573A26.6Very low28.5Very low89 Ų89133.5 Ų133.574%0.73680%0.799SS**  trans-109.7149.6179.300000112.1
574T26.9Very low29.3Very low142 Ų142129.6 Ų129.687%0.87179%0.79SS**  trans-152.6132.5162.5-17.10000110.5
575S29Very low29.2Very low116 Ų116130.5 Ų130.581%0.81180%0.797SS**  trans-94.1159.4172.4-41.10000110.9
576P37.3Very low29.3Very low124 Ų124129 Ų12981%0.80579%0.792SS**  trans-132.4147.6148.236.4-24.9000113.7
577S27Very low29.3Very low120 Ų120130.3 Ų130.384%0.83980%0.801SS**  trans-93157.3167.4-47.20000110.8
578P37.4Very low29.5Very low126 Ų126130.7 Ų130.782%0.81880%0.804SS**  trans-105.3157.6163.337.1-29.6000112.8
579T30.1Very low29.9Very low123 Ų123129.4 Ų129.476%0.75580%0.797SS**  trans-131.2145.6171.743.60000110.3
580D29.6Very low30Very low162 Ų162130.5 Ų130.587%0.86680%0.8SS**  trans33.8133.1152.3-49-37.5000121.9
581G27.3Very low30.2Very low85 Ų85133.8 Ų133.888%0.87680%0.804SS**  trans178.4108.5166.600000112.6
582D28Very low30.1Very low140 Ų140136.7 Ų136.775%0.74981%0.807SS**  trans-117128.7-166.1-163.23000113.7
583R29.5Very low30.2Very low221 Ų221134.8 Ų134.883%0.83480%0.801SS**  trans60.9172.2154.7-92.1169.5175.6-135.1-1.1120.3
584P47.1Very low30.2Very low101 Ų101137.1 Ų137.166%0.65680%0.801SS**  cis-133-172.8-24.834.7-16.3000114.6
585S27Very low30.3Very low108 Ų108135.3 Ų135.376%0.75580%0.795SS**  trans83.2154.2152.282.20000119.4
586S25.8Very low30.4Very low107 Ų107136.7 Ų136.775%0.74880%0.798SS**  cis-174.3124.1-35.153.60000112.1
587S27.9Very low29.9Very low122 Ų122134.6 Ų134.685%0.85380%0.799SS**  trans176.3141152.153.50000112.5
588S28.6Very low30.3Very low108 Ų108141.4 Ų141.476%0.75581%0.807SS**  trans-84.7167.7161.154.90000111
589P34.8Very low29.9Very low113 Ų113138.9 Ų138.973%0.73480%0.803SS**  -150.7150.5100.138.9-22000117.4
590T26.9Very low30.3Very low136 Ų136139.6 Ų139.683%0.83481%0.813SS**  trans26.8150148.154.30000125.1
591E32.2Very low30.5Very low174 Ų174134.5 Ų134.581%0.81380%0.799SS**  trans-54.7154.7174.6-44.2159.8128.700116.5
592R27.6Very low31.2Very low242 Ų242136.9 Ų136.991%0.91379%0.792SS**  -172.1174.1117-102.8170.5-171.3-1590.5113.8
593Q28Very low31.7Very low171 Ų171139.9 Ų139.980%0.79980%0.798SS**  trans-94.8159-159.2-65.4169.1-73.800116.4
594D27Very low32.1Very low139 Ų139133.2 Ų133.274%0.74379%0.786SS**  trans72.7127.6139.7-71.1-24.9000124.9
595S28.3Very low31.8Very low104 Ų104134.8 Ų134.873%0.72779%0.788SS**  trans109.5110.1130.473.20000121
596T31.2Very low32.5Very low144 Ų144137.5 Ų137.588%0.88379%0.788SS**  trans55.1104.9139.853.90000120.9
597G27.5Very low33.5Very low81 Ų81137.8 Ų137.884%0.83578%0.782SS**  trans-160.576.4162.700000113.8G599G597-G599 PolarHBondContact O-N 2.98Å
598R35.3Very low34.6Very low263 Ų263141.5 Ų141.599%0.99278%0.777SS**  trans-76.1107.7174.6-85.7-171.2172.1-167.7-2111.2
599G28Very low37.2Very low72 Ų72143.5 Ų143.574%0.74277%0.772SS**  trans-120.9126.8171.500000111.8G597 G601G597-G599 PolarHBondContact O-N 2.98Å; G599-G601 PolarHBondContact O-N 3.14Å
600S38.4Very low39.8Very low138 Ų138140.4 Ų140.497%0.96575%0.746SS**  trans-60.5126.6-171.8-171.10000114.2
601G33.4Very low43Very low56 Ų56136.6 Ų136.658%0.57773%0.725SS**  trans-16313176.200000115.4G599 K603G599-G601 PolarHBondContact O-N 3.14Å; G601-K603 VanDerWaalsContact C-N 3.3Å; G601-K603 PolarHBondContact O-N 2.83Å
602D42.1Very low45.9Very low134 Ų134133 Ų13372%0.71772%0.715SS**THydrogen-bonded Turntrans-86.158.8-157.8-161.622000114.9
603K38.8Very low49Very low203 Ų203124.9 Ų124.988%0.88369%0.69SS**THydrogen-bonded Turntrans-141.91.2161.2-71.7-158.5172.9-169.50114.2G601G601-K603 VanDerWaalsContact C-N 3.3Å; G601-K603 PolarHBondContact O-N 2.83Å
604S38.3Very low52.3Low82 Ų82116.8 Ų116.857%0.57365%0.652SS**SBendtrans-105.9-10.9179.6-168.90000113.9
605L41Very low55.5Low134 Ų134113 Ų11370%0.70263%0.629SS**SBendtrans-86.3-40.9-169.7-152.474.6000112.9N607 W608L605-N607 PolarHBondContact O-N 3.48Å; L605-N607 VanDerWaalsContact O-N 3.15Å; L605-W608 PolarHBondContact O-N 3.27Å; L605-W608 VanDerWaalsContact O-N 3.08Å
606E41.3Very low58.6Low164 Ų164111.8 Ų111.877%0.76661%0.614SS**G310 helixtrans-56.2-33.6179.2-62.9-169.1121.700113W608 K609E606-W608 PolarHBondContact O-N 2.74Å; E606-K609 PolarHBondContact O-N 2.81Å; E606-K609 VanDerWaalsContact O-N 3.11Å
607N47Very low61.7Low113 Ų113105 Ų10560%0.60457%0.572SS**G310 helixtrans-64.9-7.7-178.8-159.447.2000113.7L605 K615L605-N607 PolarHBondContact O-N 3.48Å; L605-N607 VanDerWaalsContact O-N 3.15Å; N607-K615 VanDerWaalsContact O-CE 3.24Å; N607-K615 WeakPolarHBondContact O-CE 3.43Å; N607-K615 PolarHBondContact O-NZ 3.01Å
608W51.4Low65Low201 Ų201101.8 Ų101.876%0.76154%0.536SS*.G310 helixtrans-111.3-2.5177.2-65.4100000114.7L605 E606 Y610L605-W608 PolarHBondContact O-N 3.27Å; L605-W608 VanDerWaalsContact O-N 3.08Å; E606-W608 PolarHBondContact O-N 2.74Å; W608-Y610 VanDerWaalsContact C-N 3.27Å; W608-Y610 PolarHBondContact O-N 2.87Å
609K83.2Confident67.8Low149 Ų14993.7 Ų93.765%0.64851%0.512SS*.SBendtrans-62.3-27.5-174-173.9175177.4-178.40114.8E606E606-K609 PolarHBondContact O-N 2.81Å; E606-K609 VanDerWaalsContact O-N 3.11Å
610Y89.1Confident70.9Confident49 Ų4991.4 Ų91.419%0.19248%0.483CS..SBendtrans-133.9156.9-174.7-55.1-60.3000112.5E415 N419 W608 V614 K615E415-Y610 HydrophobicContact CB-CD2 3.79Å; E415-Y610 HydrophobicContact CB-CE2 3.42Å; E415-Y610 VanDerWaalsContact CB-CE2 3.42Å; E415-Y610 HydrophobicContact CG-CE2 4.34Å; N419-Y610 HydrophobicContact CB-CD1 3.91Å; N419-Y610 HydrophobicContact CB-CE1 4.09Å; N419-Y610 WeakPolarHBondContact OD1-CD1 3.34Å; W608-Y610 VanDerWaalsContact C-N 3.27Å; W608-Y610 PolarHBondContact O-N 2.87Å; Y610-V614 HydrophobicContact CG-CG1 4.19Å; Y610-K615 VanDerWaalsContact O-CE 3.26Å; Y610-K615 WeakPolarHBondContact O-CE 3.48Å; Y610-K615 PolarHBondContact O-NZ 3.12Å
611S93.1Very high73.5Confident55 Ų5585 Ų8539%0.38544%0.438SS..  trans-57.4159.7179.1-167.40000113.2D613 V614 K615S611-D613 PolarHBondContact O-N 2.96Å; S611-D613 PolarHBondContact OG-OD2 2.94Å; S611-V614 PolarHBondContact O-N 3.08Å; S611-K615 WeakPolarHBondContact O-CD 3.43Å; S611-K615 WeakPolarHBondContact O-CG 3.44Å; S611-K615 PolarHBondContact O-N 3.25Å; S611-K615 VanDerWaalsContact O-N 3.13Å
612T93.9Very high76.4Confident100 Ų10087.5 Ų87.561%0.61343%0.43SS*.Hα-helixtrans-50.1-38.8165.135.20000112.2K615 L616T612-K615 WeakPolarHBondContact O-CB 3.45Å; T612-K615 PolarHBondContact O-N 3.31Å; T612-L616 WeakPolarHBondContact O-CB 2.97Å; T612-L616 PolarHBondContact O-N 2.87Å
613D93.5Very high78.8Confident71 Ų7182.1 Ų82.138%0.3840%0.404SS..Hα-helixtrans-79-31.9-172.2-41.2-69000111.7H422 S611 L616 S617H422-D613 PolarHBondContact NE2-O 3.32Å; S611-D613 PolarHBondContact O-N 2.96Å; S611-D613 PolarHBondContact OG-OD2 2.94Å; D613-L616 PolarHBondContact O-N 3.37Å; D613-S617 PolarHBondContact O-N 2.98Å; D613-S617 PolarHBondContact O-OG 2.98Å
614V96.1Very high81.4Confident1 Ų172.6 Ų72.61%0.00636%0.363CS..Hα-helixtrans-66.3-40.5169.2177.90000110.5E415 L418 N419 H422 Y610 S611 S617 L618E415-V614 WeakPolarHBondContact O-CG1 3.48Å; L418-V614 HydrophobicContact CB-CG1 3.95Å; N419-V614 HydrophobicContact CB-CG1 4.34Å; N419-V614 HydrophobicContact CB-CG2 4.15Å; H422-V614 HydrophobicContact CB-CG2 4.2Å; Y610-V614 HydrophobicContact CG-CG1 4.19Å; S611-V614 PolarHBondContact O-N 3.08Å; V614-S617 WeakPolarHBondContact O-CB 3.03Å; V614-S617 PolarHBondContact O-N 3.32Å; V614-L618 VanDerWaalsContact O-CB 3.27Å; V614-L618 WeakPolarHBondContact O-CB 3.02Å; V614-L618 PolarHBondContact O-N 3.45Å
615K94.5Very high83.7Confident58 Ų5874.9 Ų74.925%0.25237%0.366SS..Hα-helixtrans-67.7-37.7174.6-68.6158.3176.3150.30111.8N607 Y610 S611 T612 L618 N619N607-K615 VanDerWaalsContact O-CE 3.24Å; N607-K615 WeakPolarHBondContact O-CE 3.43Å; N607-K615 PolarHBondContact O-NZ 3.01Å; Y610-K615 VanDerWaalsContact O-CE 3.26Å; Y610-K615 WeakPolarHBondContact O-CE 3.48Å; Y610-K615 PolarHBondContact O-NZ 3.12Å; S611-K615 WeakPolarHBondContact O-CD 3.43Å; S611-K615 WeakPolarHBondContact O-CG 3.44Å; S611-K615 PolarHBondContact O-N 3.25Å; S611-K615 VanDerWaalsContact O-N 3.13Å; T612-K615 WeakPolarHBondContact O-CB 3.45Å; T612-K615 PolarHBondContact O-N 3.31Å; K615-L618 PolarHBondContact O-N 3.17Å; K615-N619 WeakPolarHBondContact O-CB 3.47Å; K615-N619 VanDerWaalsContact O-CG 3.24Å; K615-N619 PolarHBondContact O-N 3.5Å; K615-N619 PolarHBondContact O-ND2 3.38Å
616L94.4Very high86Confident80 Ų8076.3 Ų76.342%0.41937%0.369SS..Hα-helixtrans-63.6-46.5172.4-177.560.1000110.7T612 D613 L618 N619 I620T612-L616 WeakPolarHBondContact O-CB 2.97Å; T612-L616 PolarHBondContact O-N 2.87Å; D613-L616 PolarHBondContact O-N 3.37Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.14Å; L616-N619 PolarHBondContact O-N 3.31Å; L616-I620 HydrophobicContact CD1-CD1 3.8Å; L616-I620 HydrophobicContact CD1-CG1 4.21Å; L616-I620 HydrophobicContact CG-CD1 3.84Å; L616-I620 WeakPolarHBondContact O-CG1 3.26Å; L616-I620 PolarHBondContact O-N 2.85Å
617S95.8Very high88.2Confident0 Ų070.1 Ų70.10%035%0.35CS..Hα-helixtrans-53.3-50.8173.6-73.50000112.7H422 W429 D613 V614 N619 I620 L621 F633H422-S617 PolarHBondContact NE2-OG 3.4Å; W429-S617 WeakPolarHBondContact CZ2-OG 3.24Å; D613-S617 PolarHBondContact O-N 2.98Å; D613-S617 PolarHBondContact O-OG 2.98Å; V614-S617 WeakPolarHBondContact O-CB 3.03Å; V614-S617 PolarHBondContact O-N 3.32Å; S617-N619 VanDerWaalsContact C-N 3.3Å; S617-N619 PolarHBondContact O-N 3.04Å; S617-I620 PolarHBondContact O-N 3.33Å; S617-L621 WeakPolarHBondContact O-CG 3.33Å; S617-L621 PolarHBondContact O-N 3.14Å; S617-F633 VanDerWaalsContact OG-CE2 3.22Å; S617-F633 WeakPolarHBondContact OG-CE2 3.5Å; S617-F633 WeakPolarHBondContact OG-CZ 3.41Å
618L95.7Very high90.2Very high14 Ų1469.2 Ų69.27%0.07334%0.342CS..Hα-helixtrans-59.2-43.8-177.5-178.866.3000111.7L414 E415 L418 V614 K615 L616 R622L414-L618 HydrophobicContact CB-CD1 4.32Å; L414-L618 HydrophobicContact CD2-CD1 3.92Å; L414-L618 HydrophobicContact CG-CD1 4.02Å; E415-L618 HydrophobicContact CG-CD1 3.75Å; E415-L618 HydrophobicContact CG-CD2 3.45Å; E415-L618 VanDerWaalsContact CG-CD2 3.45Å; E415-L618 HydrophobicContact CG-CG 4.13Å; E415-L618 VanDerWaalsContact OE1-CD1 3.25Å; E415-L618 WeakPolarHBondContact OE1-CD1 3.27Å; L418-L618 HydrophobicContact CD1-CB 4.03Å; L418-L618 HydrophobicContact CD1-CD1 4.25Å; V614-L618 VanDerWaalsContact O-CB 3.27Å; V614-L618 WeakPolarHBondContact O-CB 3.02Å; V614-L618 PolarHBondContact O-N 3.45Å; K615-L618 PolarHBondContact O-N 3.17Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.14Å; L618-R622 VanDerWaalsContact CD2-CZ 3.48Å; L618-R622 VanDerWaalsContact CG-CZ 3.41Å; L618-R622 VanDerWaalsContact O-CB 3.29Å; L618-R622 WeakPolarHBondContact O-CB 3.31Å; L618-R622 WeakPolarHBondContact O-CD 3.27Å; L618-R622 WeakPolarHBondContact O-CG 3.05Å; L618-R622 PolarHBondContact O-N 2.65Å
619N94.5Very high92Very high94 Ų9464.6 Ų64.650%0.50332%0.324SS..Hα-helixtrans-70.1-41.2179.2-70-20.8000112.2K615 L616 S617 A623K615-N619 WeakPolarHBondContact O-CB 3.47Å; K615-N619 VanDerWaalsContact O-CG 3.24Å; K615-N619 PolarHBondContact O-N 3.5Å; K615-N619 PolarHBondContact O-ND2 3.38Å; L616-N619 PolarHBondContact O-N 3.31Å; S617-N619 VanDerWaalsContact C-N 3.3Å; S617-N619 PolarHBondContact O-N 3.04Å; N619-A623 WeakPolarHBondContact O-CB 3.32Å; N619-A623 PolarHBondContact O-N 3.26Å
620I93.2Very high92.4Very high23 Ų2361 Ų6112%0.11831%0.309CS..Hα-helixtrans-65.3-45.4177.7-68.3171000111.1W429 L616 S617 A623 A624 F631W429-I620 HydrophobicContact CD2-CD1 3.54Å; W429-I620 HydrophobicContact CE3-CB 4.36Å; W429-I620 HydrophobicContact CE3-CD1 3.53Å; W429-I620 HydrophobicContact CE3-CG2 3.89Å; W429-I620 HydrophobicContact CG-CD1 4.16Å; W429-I620 HydrophobicContact CH2-CB 4.04Å; W429-I620 HydrophobicContact CH2-CD1 4.05Å; W429-I620 HydrophobicContact CH2-CG2 4.18Å; W429-I620 HydrophobicContact CZ2-CD1 4.05Å; W429-I620 HydrophobicContact CZ3-CB 3.8Å; W429-I620 HydrophobicContact CZ3-CD1 3.78Å; W429-I620 HydrophobicContact CZ3-CG1 4.4Å; W429-I620 HydrophobicContact CZ3-CG2 3.44Å; W429-I620 VanDerWaalsContact CZ3-CG2 3.44Å; L616-I620 HydrophobicContact CD1-CD1 3.8Å; L616-I620 HydrophobicContact CD1-CG1 4.21Å; L616-I620 HydrophobicContact CG-CD1 3.84Å; L616-I620 WeakPolarHBondContact O-CG1 3.26Å; L616-I620 PolarHBondContact O-N 2.85Å; S617-I620 PolarHBondContact O-N 3.33Å; I620-A623 PolarHBondContact O-N 2.72Å; I620-A624 WeakPolarHBondContact O-CB 3.4Å; I620-A624 PolarHBondContact O-N 2.69Å; I620-F631 HydrophobicContact CD1-CD2 4.33Å; I620-F631 HydrophobicContact CG1-CD2 4.4Å; I620-F631 HydrophobicContact CG2-CB 3.91Å; I620-F631 HydrophobicContact CG2-CD2 4.15Å; I620-F631 HydrophobicContact CG2-CG 4.4Å
621L93.9Very high92.6Very high5 Ų562.1 Ų62.13%0.02632%0.315CS..Hα-helixtrans-66-42177.5-68.1-179.3000112T376 L382 L414 L418 S617 A623 A624 M625 F633T376-L621 HydrophobicContact CG2-CD2 3.64Å; L382-L621 HydrophobicContact CD1-CD1 4.08Å; L414-L621 HydrophobicContact CD1-CD1 4.5Å; L418-L621 HydrophobicContact CD1-CD1 4.34Å; L418-L621 HydrophobicContact CD2-CD1 3.87Å; S617-L621 WeakPolarHBondContact O-CG 3.33Å; S617-L621 PolarHBondContact O-N 3.14Å; L621-A623 VanDerWaalsContact C-N 3.3Å; L621-A623 PolarHBondContact O-N 2.84Å; L621-A624 PolarHBondContact O-N 3.06Å; L621-M625 WeakPolarHBondContact O-CB 3.46Å; L621-M625 VanDerWaalsContact O-CG 3.29Å; L621-M625 WeakPolarHBondContact O-CG 3.46Å; L621-M625 PolarHBondContact O-N 2.95Å; L621-F633 HydrophobicContact CD1-CD1 4.22Å; L621-F633 HydrophobicContact CD1-CE1 4.41Å; L621-F633 HydrophobicContact CD2-CB 4.19Å; L621-F633 HydrophobicContact CD2-CD1 4.39Å
622R93.8Very high92.6Very high107 Ų10759.5 Ų59.540%0.40430%0.296SS..Hα-helixtrans-59.4-39.7173.7-74.9168.2-179.7177.6-1.2112E415 L618 Q626E415-R622 IonicContact OE1-CZ 3.86Å; E415-R622 IonicContact OE1-NH2 2.78Å; E415-R622 PolarHBondContact OE1-NH2 2.73Å; L618-R622 VanDerWaalsContact CD2-CZ 3.48Å; L618-R622 VanDerWaalsContact CG-CZ 3.41Å; L618-R622 VanDerWaalsContact O-CB 3.29Å; L618-R622 WeakPolarHBondContact O-CB 3.31Å; L618-R622 WeakPolarHBondContact O-CD 3.27Å; L618-R622 WeakPolarHBondContact O-CG 3.05Å; L618-R622 PolarHBondContact O-N 2.65Å; R622-Q626 VanDerWaalsContact O-CG 3.29Å; R622-Q626 WeakPolarHBondContact O-CG 3.5Å; R622-Q626 PolarHBondContact O-N 3.16Å
623A93.1Very high92.8Very high21 Ų2154.8 Ų54.817%0.17427%0.267CS..Hα-helixtrans-68.5-42.6176.300000111.8N619 I620 L621 M625 Q626 G627 E628N619-A623 WeakPolarHBondContact O-CB 3.32Å; N619-A623 PolarHBondContact O-N 3.26Å; I620-A623 PolarHBondContact O-N 2.72Å; L621-A623 VanDerWaalsContact C-N 3.3Å; L621-A623 PolarHBondContact O-N 2.84Å; A623-M625 VanDerWaalsContact C-N 3.34Å; A623-M625 PolarHBondContact O-N 3.47Å; A623-Q626 CarbonylContact O-C 2.95Å; A623-Q626 WeakPolarHBondContact O-CA 3.4Å; A623-Q626 WeakPolarHBondContact O-CB 3.23Å; A623-Q626 PolarHBondContact O-N 3.41Å; A623-G627 PolarHBondContact O-N 2.88Å; A623-E628 HydrophobicContact CB-CB 4.04Å; A623-E628 WeakPolarHBondContact O-CA 3.21Å; A623-E628 WeakPolarHBondContact O-CB 3.31Å; A623-E628 PolarHBondContact O-N 3.21Å
624A91.6Very high92.9Very high3 Ų351.4 Ų51.43%0.02525%0.249CC..Hα-helixtrans-63.1-38.2176.400000112.6H380 I620 L621 Q626 G627 R629H380-A624 HydrophobicContact CB-CB 3.65Å; I620-A624 WeakPolarHBondContact O-CB 3.4Å; I620-A624 PolarHBondContact O-N 2.69Å; L621-A624 PolarHBondContact O-N 3.06Å; A624-Q626 PolarHBondContact O-N 3.39Å; A624-G627 PolarHBondContact O-N 3.36Å; A624-R629 HydrophobicContact CB-CG 4.47Å
625M87.6Confident92.9Very high131 Ų13151.4 Ų51.465%0.64525%0.249SC*.Hα-helixtrans-65.5-20.9170.8-70.1176.270.700113.5L621 A623 G627L621-M625 WeakPolarHBondContact O-CB 3.46Å; L621-M625 VanDerWaalsContact O-CG 3.29Å; L621-M625 WeakPolarHBondContact O-CG 3.46Å; L621-M625 PolarHBondContact O-N 2.95Å; A623-M625 VanDerWaalsContact C-N 3.34Å; A623-M625 PolarHBondContact O-N 3.47Å; M625-G627 VanDerWaalsContact C-N 3.33Å
626Q89.8Confident92.9Very high163 Ų16351.3 Ų51.376%0.76225%0.251SS*.THydrogen-bonded Turntrans-90.54.1171.9-68.2167.43.700112.7R622 A623 A624R622-Q626 VanDerWaalsContact O-CG 3.29Å; R622-Q626 WeakPolarHBondContact O-CG 3.5Å; R622-Q626 PolarHBondContact O-N 3.16Å; A623-Q626 CarbonylContact O-C 2.95Å; A623-Q626 WeakPolarHBondContact O-CA 3.4Å; A623-Q626 WeakPolarHBondContact O-CB 3.23Å; A623-Q626 PolarHBondContact O-N 3.41Å; A624-Q626 PolarHBondContact O-N 3.39Å
627G87.4Confident92.8Very high34 Ų3448.1 Ų48.135%0.35123%0.234SC..THydrogen-bonded Turntrans98.1-9-179.500000114.9A623 A624 M625 R629A623-G627 PolarHBondContact O-N 2.88Å; A624-G627 PolarHBondContact O-N 3.36Å; M625-G627 VanDerWaalsContact C-N 3.33Å; G627-R629 PolarHBondContact O-N 2.86Å
628E89.3Confident92.4Very high95 Ų9551.1 Ų51.144%0.44425%0.25SC..  trans-79.264.9177.7-61.9-148.713300112.4A623 K630A623-E628 HydrophobicContact CB-CB 4.04Å; A623-E628 WeakPolarHBondContact O-CA 3.21Å; A623-E628 WeakPolarHBondContact O-CB 3.31Å; A623-E628 PolarHBondContact O-N 3.21Å; E628-K630 HydrophobicContact CB-CD 4.32Å; E628-K630 HydrophobicContact CB-CG 4.48Å; E628-K630 PolarHBondContact O-N 3.14Å; E628-K630 IonicContact OE1-NZ 3.41Å; E628-K630 PolarHBondContact OE1-NZ 3.44Å; E628-K630 WeakPolarHBondContact OE2-CE 3.23Å; E628-K630 IonicContact OE2-NZ 2.71Å; E628-K630 PolarHBondContact OE2-NZ 3.39Å
629R88Confident91.7Very high104 Ų10451.8 Ų51.839%0.39226%0.255SS..  trans-72.865.2178.4-64176.8175.7-173.6-0.5111.5E379 H380 I432 A624 G627E379-R629 VanDerWaalsContact CA-NH2 3.34Å; E379-R629 PolarHBondContact O-NH2 3.07Å; H380-R629 VanDerWaalsContact CD2-CD 3.4Å; H380-R629 WeakPolarHBondContact CD2-CD 3.31Å; I432-R629 WeakPolarHBondContact CD1-O 3.24Å; A624-R629 HydrophobicContact CB-CG 4.47Å; G627-R629 PolarHBondContact O-N 2.86Å
630K91.5Very high90.3Very high74 Ų7451.3 Ų51.332%0.32226%0.259SS..  trans-89.7-21.1-177.1-66.7171.6-177.9166.10112.9I432 E628I432-K630 PolarHBondContact N-O 2.82Å; E628-K630 HydrophobicContact CB-CD 4.32Å; E628-K630 HydrophobicContact CB-CG 4.48Å; E628-K630 PolarHBondContact O-N 3.14Å; E628-K630 IonicContact OE1-NZ 3.41Å; E628-K630 PolarHBondContact OE1-NZ 3.44Å; E628-K630 WeakPolarHBondContact OE2-CE 3.23Å; E628-K630 IonicContact OE2-NZ 2.71Å; E628-K630 PolarHBondContact OE2-NZ 3.39Å
631F93.8Very high88.9Confident72 Ų7255.6 Ų55.632%0.31628%0.278SS..EExtended strand (participates in β ladder)trans-141.9152.3-175.9-58.6-88.1000111.9H380 W429 I430 R431 I620H380-F631 PolarHBondContact CE1-O 3.06Å; H380-F631 PolarHBondContact ND1-O 2.96Å; W429-F631 HydrophobicContact CB-CD1 4.35Å; W429-F631 HydrophobicContact CE3-CB 4.26Å; I430-F631 CarbonylContact O-C 3.58Å; I430-F631 VanDerWaalsContact O-CA 3.23Å; I430-F631 WeakPolarHBondContact O-CA 3.39Å; R431-F631 HydrophobicContact CB-CD1 4.03Å; R431-F631 HydrophobicContact CB-CE1 3.92Å; R431-F631 HydrophobicContact CG-CE1 4.2Å; I620-F631 HydrophobicContact CD1-CD2 4.33Å; I620-F631 HydrophobicContact CG1-CD2 4.4Å; I620-F631 HydrophobicContact CG2-CB 3.91Å; I620-F631 HydrophobicContact CG2-CD2 4.15Å; I620-F631 HydrophobicContact CG2-CG 4.4Å
632I94.3Very high87.8Confident0 Ų058.5 Ų58.50%029%0.289CS..EExtended strand (participates in β ladder)trans-101132.9165-52177000108W168 W169 P374 I430 I432W168-I632 HydrophobicContact CH2-CG2 4.14Å; W168-I632 HydrophobicContact CZ3-CD1 4.24Å; W168-I632 HydrophobicContact CZ3-CG1 4.47Å; W169-I632 HydrophobicContact CB-CD1 3.81Å; P374-I632 HydrophobicContact CB-CG2 3.89Å; P374-I632 HydrophobicContact CG-CG2 3.85Å; I430-I632 HydrophobicContact CB-CB 4.25Å; I430-I632 PolarHBondContact N-O 3.01Å; I430-I632 PolarHBondContact O-N 3.43Å; I432-I632 HydrophobicContact CD1-CD1 4.41Å; I432-I632 HydrophobicContact CD1-CG1 3.77Å; I432-I632 HydrophobicContact CG1-CD1 4.22Å; I432-I632 HydrophobicContact CG1-CG1 3.79Å
633F96.2Very high86.8Confident1 Ų154.1 Ų54.10%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-89.6117.1171.9-174.5-136.3000108.2P374 L375 T376 L382 L418 L421 V427 W429 S617 L621P374-F633 CarbonylContact C-O 3.57Å; P374-F633 WeakPolarHBondContact CA-O 3.25Å; L375-F633 HydrophobicContact CB-CD1 3.82Å; L375-F633 HydrophobicContact CB-CE1 4.1Å; L375-F633 HydrophobicContact CD1-CD1 4.38Å; L375-F633 HydrophobicContact CD1-CE1 4.08Å; L375-F633 HydrophobicContact CD1-CZ 4.34Å; L375-F633 PolarHBondContact N-O 2.85Å; T376-F633 HydrophobicContact CG2-CB 4.21Å; T376-F633 HydrophobicContact CG2-CD1 4.44Å; L382-F633 HydrophobicContact CD1-CD1 3.88Å; L382-F633 HydrophobicContact CD1-CE1 3.67Å; L418-F633 HydrophobicContact CD2-CD1 4.46Å; L418-F633 HydrophobicContact CD2-CE1 3.43Å; L418-F633 VanDerWaalsContact CD2-CE1 3.43Å; L418-F633 HydrophobicContact CD2-CE2 4.47Å; L418-F633 HydrophobicContact CD2-CZ 3.42Å; L418-F633 VanDerWaalsContact CD2-CZ 3.42Å; L421-F633 HydrophobicContact CD1-CE1 4.09Å; V427-F633 HydrophobicContact CB-CE2 4.36Å; V427-F633 HydrophobicContact CG1-CD2 3.62Å; V427-F633 HydrophobicContact CG1-CE2 3.15Å; V427-F633 HydrophobicContact CG1-CZ 3.67Å; W429-F633 HydrophobicContact CD2-CD2 4.46Å; W429-F633 HydrophobicContact CE3-CB 4.36Å; W429-F633 HydrophobicContact CE3-CD2 4.07Å; W429-F633 HydrophobicContact CH2-CB 4.03Å; W429-F633 AromaticContact CH2-CD2 2.99Å; W429-F633 HydrophobicContact CH2-CD2 2.99Å; W429-F633 AromaticContact CH2-CE2 3.44Å; W429-F633 HydrophobicContact CH2-CE2 3.44Å; W429-F633 VanDerWaalsContact CH2-CE2 3.44Å; W429-F633 AromaticContact CH2-CG 3.69Å; W429-F633 HydrophobicContact CH2-CG 3.69Å; W429-F633 HydrophobicContact CH2-CZ 4.47Å; W429-F633 AromaticContact CZ2-CD2 3.5Å; W429-F633 HydrophobicContact CZ2-CD2 3.5Å; W429-F633 VanDerWaalsContact CZ2-CD2 3.5Å; W429-F633 AromaticContact CZ2-CE2 3.56Å; W429-F633 HydrophobicContact CZ2-CE2 3.56Å; W429-F633 HydrophobicContact CZ3-CB 3.58Å; W429-F633 AromaticContact CZ3-CD2 3.35Å; W429-F633 HydrophobicContact CZ3-CD2 3.35Å; W429-F633 HydrophobicContact CZ3-CE2 4.24Å; W429-F633 AromaticContact CZ3-CG 3.79Å; W429-F633 HydrophobicContact CZ3-CG 3.79Å; S617-F633 VanDerWaalsContact OG-CE2 3.22Å; S617-F633 WeakPolarHBondContact OG-CE2 3.5Å; S617-F633 WeakPolarHBondContact OG-CZ 3.41Å; L621-F633 HydrophobicContact CD1-CD1 4.22Å; L621-F633 HydrophobicContact CD1-CE1 4.41Å; L621-F633 HydrophobicContact CD2-CB 4.19Å; L621-F633 HydrophobicContact CD2-CD1 4.39Å
634A96.9Very high86Confident0 Ų059.4 Ų59.40%029%0.294CS..EExtended strand (participates in β ladder)trans-141147.1-169.800000113.6V372 I373 V427 T428 I430V372-A634 HydrophobicContact CB-CB 4.28Å; I373-A634 CarbonylContact O-C 3.49Å; I373-A634 VanDerWaalsContact O-CA 3.24Å; I373-A634 WeakPolarHBondContact O-CA 3.42Å; I373-A634 WeakPolarHBondContact O-CB 3.26Å; V427-A634 CarbonylContact C-O 3.5Å; V427-A634 WeakPolarHBondContact CA-O 3.13Å; V427-A634 WeakPolarHBondContact CG1-O 3.31Å; T428-A634 HydrophobicContact CG2-CB 4.21Å; T428-A634 PolarHBondContact N-O 3.13Å; T428-A634 PolarHBondContact O-N 2.77Å; I430-A634 HydrophobicContact CD1-CB 3.9Å; I430-A634 HydrophobicContact CG1-CB 4.32Å
635G96.3Very high85.5Confident0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-81.4137.816400000110.8V372 I373V372-G635 WeakPolarHBondContact CA-O 3.39Å; I373-G635 PolarHBondContact N-O 3.04Å; I373-G635 PolarHBondContact O-N 3.34Å
636L93.6Very high85.3Confident57 Ų5754.9 Ų54.930%0.29827%0.27SS..EExtended strand (participates in β ladder)trans-78.6131.8173.4-69.1168.8000110.3P345 V372 N426 T428P345-L636 WeakPolarHBondContact CD-O 3.38Å; V372-L636 HydrophobicContact CG1-CD2 4.2Å; N426-L636 HydrophobicContact CB-CB 4.23Å; N426-L636 HydrophobicContact CB-CD1 4.33Å; N426-L636 PolarHBondContact O-N 2.6Å; T428-L636 HydrophobicContact CG2-CD2 3.67Å; T428-L636 HydrophobicContact CG2-CG 3.89Å
637L92.5Very high85Confident12 Ų1253 Ų536%0.06326%0.261CS..PPolyproline II helixtrans-94.9118.5174.5-52.1-177.7000109.3L179 P345 V347 A371 I373 T639L179-L637 HydrophobicContact CD1-CD1 4.22Å; L179-L637 HydrophobicContact CD2-CD1 3.93Å; P345-L637 HydrophobicContact CG-CD2 3.59Å; V347-L637 HydrophobicContact CG2-CD1 4.22Å; V347-L637 HydrophobicContact CG2-CD2 3.57Å; A371-L637 HydrophobicContact CB-CB 3.91Å; A371-L637 HydrophobicContact CB-CD1 4.32Å; A371-L637 WeakPolarHBondContact O-CB 3.25Å; A371-L637 PolarHBondContact O-N 2.98Å; I373-L637 HydrophobicContact CB-CD2 4.37Å; I373-L637 HydrophobicContact CG2-CD2 3.83Å; L637-T639 HydrophobicContact CB-CG2 4.17Å; L637-T639 PolarHBondContact O-N 2.99Å
638L88.1Confident84.9Confident63 Ų6356.2 Ų56.233%0.3327%0.267SS..PPolyproline II helixtrans-75.1119.1170.2-68.1177.9000109.4I128 Y129 T130 S344I128-L638 HydrophobicContact CD1-CD1 4.38Å; Y129-L638 CarbonylContact C-O 3.51Å; Y129-L638 VanDerWaalsContact CA-O 3.25Å; Y129-L638 WeakPolarHBondContact CA-O 2.98Å; T130-L638 PolarHBondContact N-O 3.23Å; S344-L638 PolarHBondContact OG-N 2.83Å
639T80.7Confident84.7Confident29 Ų2951.8 Ų51.818%0.17825%0.246CC..  trans-135.84.6-176.863.60000113.4Q132 A371 L637 H641Q132-T639 VanDerWaalsContact CD-CB 3.47Å; Q132-T639 HydrophobicContact CG-CG2 4.04Å; Q132-T639 PolarHBondContact NE2-OG1 3.21Å; A371-T639 HydrophobicContact CB-CG2 3.94Å; L637-T639 HydrophobicContact CB-CG2 4.17Å; L637-T639 PolarHBondContact O-N 2.99Å; T639-H641 PolarHBondContact O-N 2.94Å
640S64.3Low84.7Confident83 Ų8347.4 Ų47.458%0.5823%0.231SC*.SBendtrans-75.3-2.8-173.954.90000114.9
641H65Low84.4Confident113 Ų11347.2 Ų47.252%0.52324%0.239SC..  trans-130.1139.7-178.3-64-45.4000110.4Y129 T639Y129-H641 WeakPolarHBondContact CB-O 3.15Å; Y129-H641 HydrophobicContact CD1-CB 3.67Å; Y129-H641 WeakPolarHBondContact CD2-O 3.36Å; Y129-H641 HydrophobicContact CE1-CB 4.18Å; Y129-H641 HydrophobicContact CG-CB 4.18Å; Y129-H641 VanDerWaalsContact CG-O 3.26Å; T639-H641 PolarHBondContact O-N 2.94Å
642R70.1Confident84Confident67 Ų6749 Ų4925%0.25324%0.244SC..  trans-108.4147.6172.9-81.7-173.9155.2131.45.6109.3Q132 E362 H646 E647Q132-R642 PolarHBondContact O-NH2 3.44Å; E362-R642 VanDerWaalsContact CD-CZ 3.48Å; E362-R642 IonicContact OE1-CZ 3.71Å; E362-R642 IonicContact OE1-NH1 3.74Å; E362-R642 PolarHBondContact OE1-NH1 3.33Å; E362-R642 IonicContact OE1-NH2 3.33Å; E362-R642 PolarHBondContact OE1-NH2 3.3Å; E362-R642 IonicContact OE2-CZ 3.48Å; E362-R642 VanDerWaalsContact OE2-CZ 3.26Å; E362-R642 IonicContact OE2-NH1 3.39Å; E362-R642 PolarHBondContact OE2-NH1 3.19Å; E362-R642 IonicContact OE2-NH2 3.56Å; E362-R642 PolarHBondContact OE2-NH2 3.48Å; R642-H646 HydrophobicContact CB-CB 4.03Å; R642-H646 HydrophobicContact CG-CB 4.17Å; R642-E647 IonicContact NH1-OE1 2.69Å
643H73.3Confident83.8Confident15 Ų1549.2 Ų49.27%0.06925%0.245CC..  trans-63.9146.7163.4-164.4-98.4000108.7Y129 F645 H646Y129-H643 HydrophobicContact CE2-CB 4.2Å; Y129-H643 VanDerWaalsContact OH-CA 3.26Å; Y129-H643 WeakPolarHBondContact OH-CA 3.39Å; Y129-H643 WeakPolarHBondContact OH-CB 3.47Å; Y129-H643 PolarHBondContact OH-CD2 2.99Å; Y129-H643 PolarHBondContact OH-N 3.45Å; H643-F645 AromaticContact CE1-CD2 3.48Å; H643-F645 VanDerWaalsContact CE1-CD2 3.48Å; H643-F645 WeakPolarHBondContact CE1-CD2 3.44Å; H643-F645 AromaticContact CE1-CE2 3.87Å; H643-F645 AromaticContact ND1-CD2 3.55Å; H643-F645 PolarHBondContact O-N 2.92Å; H643-H646 VanDerWaalsContact CB-CD2 3.5Å; H643-H646 WeakPolarHBondContact CB-CD2 3.44Å; H643-H646 WeakPolarHBondContact CB-NE2 3.26Å; H643-H646 PolarHBondContact N-CE1 3.16Å; H643-H646 PolarHBondContact N-ND1 2.93Å; H643-H646 VanDerWaalsContact N-ND1 3.19Å; H643-H646 WeakPolarHBondContact O-CB 3.34Å; H643-H646 PolarHBondContact O-N 3.19Å
644Q75.6Confident83.5Confident132 Ų13250.1 Ų50.162%0.61725%0.25SC*.THydrogen-bonded Turntrans-54.2-32.6-173.858.1-174.8-9.800114
645F80.6Confident83.1Confident37 Ų3754.4 Ų54.416%0.16228%0.276CS..THydrogen-bonded Turntrans-86.6-7.3177.7-51.9-56000115I105 A109 H643 E647 E648 M649I105-F645 HydrophobicContact CG2-CB 3.84Å; I105-F645 HydrophobicContact CG2-CD1 4.15Å; I105-F645 HydrophobicContact CG2-CG 4.14Å; A109-F645 HydrophobicContact CB-CB 4.46Å; A109-F645 HydrophobicContact CB-CD2 3.46Å; A109-F645 VanDerWaalsContact CB-CD2 3.46Å; A109-F645 HydrophobicContact CB-CE2 4.07Å; A109-F645 HydrophobicContact CB-CG 4.26Å; H643-F645 AromaticContact CE1-CD2 3.48Å; H643-F645 VanDerWaalsContact CE1-CD2 3.48Å; H643-F645 WeakPolarHBondContact CE1-CD2 3.44Å; H643-F645 AromaticContact CE1-CE2 3.87Å; H643-F645 AromaticContact ND1-CD2 3.55Å; H643-F645 PolarHBondContact O-N 2.92Å; F645-E647 VanDerWaalsContact C-N 3.35Å; F645-E647 PolarHBondContact O-N 3.44Å; F645-E648 PolarHBondContact O-N 2.91Å; F645-M649 HydrophobicContact CB-CE 4.18Å; F645-M649 WeakPolarHBondContact O-CB 3.3Å; F645-M649 VanDerWaalsContact O-CG 3.27Å; F645-M649 WeakPolarHBondContact O-CG 3.41Å; F645-M649 PolarHBondContact O-N 3.2Å
646H84.3Confident82.7Confident1 Ų156.7 Ų56.71%0.00529%0.288CS..Hα-helixtrans-59.5-44.6-177.2-77.1178.5000111.7Y129 F131 W200 R642 H643 M649 I650Y129-H646 AromaticContact CE2-CE1 3.93Å; F131-H646 AromaticContact CD2-CE1 3.66Å; F131-H646 AromaticContact CD2-ND1 3.89Å; F131-H646 AromaticContact CD2-NE2 3.74Å; W200-H646 WeakPolarHBondContact CA-NE2 3.48Å; W200-H646 PolarHBondContact O-CD2 3.35Å; W200-H646 PolarHBondContact O-NE2 2.9Å; R642-H646 HydrophobicContact CB-CB 4.03Å; R642-H646 HydrophobicContact CG-CB 4.17Å; H643-H646 VanDerWaalsContact CB-CD2 3.5Å; H643-H646 WeakPolarHBondContact CB-CD2 3.44Å; H643-H646 WeakPolarHBondContact CB-NE2 3.26Å; H643-H646 PolarHBondContact N-CE1 3.16Å; H643-H646 PolarHBondContact N-ND1 2.93Å; H643-H646 VanDerWaalsContact N-ND1 3.19Å; H643-H646 WeakPolarHBondContact O-CB 3.34Å; H643-H646 PolarHBondContact O-N 3.19Å; H646-M649 PolarHBondContact O-N 3.43Å; H646-I650 HydrophobicContact CB-CD1 4.47Å; H646-I650 VanDerWaalsContact O-CB 3.27Å; H646-I650 WeakPolarHBondContact O-CB 3.21Å; H646-I650 WeakPolarHBondContact O-CD1 3.41Å; H646-I650 WeakPolarHBondContact O-CG1 3.49Å; H646-I650 PolarHBondContact O-N 3.04Å
647E83.2Confident82.5Confident124 Ų12454 Ų5458%0.57927%0.274SS*.Hα-helixtrans-67.5-40.8-177.1-58.9-165.6158.100111.6R642 F645 S651R642-E647 IonicContact NH1-OE1 2.69Å; F645-E647 VanDerWaalsContact C-N 3.35Å; F645-E647 PolarHBondContact O-N 3.44Å; E647-S651 WeakPolarHBondContact O-CB 3.37Å; E647-S651 PolarHBondContact O-N 3.22Å
648E84.6Confident82.5Confident102 Ų10257.2 Ų57.248%0.47729%0.289SS..Hα-helixtrans-64.7-46.1174.9-56.7-172.1148.100111.9I105 F645 S651 Y652I105-E648 HydrophobicContact CD1-CB 3.98Å; F645-E648 PolarHBondContact O-N 2.91Å; E648-S651 PolarHBondContact O-N 2.79Å; E648-Y652 VanDerWaalsContact O-CB 3.32Å; E648-Y652 WeakPolarHBondContact O-CB 3.42Å; E648-Y652 PolarHBondContact O-N 2.77Å
649M85.9Confident82.5Confident1 Ų159.8 Ų59.81%0.00530%0.299CS..Hα-helixtrans-63.6-41.7178-70.6-172.9-60.400112.2I98 I105 V106 W200 F202 F645 H646 Y653I98-M649 HydrophobicContact CG2-CB 3.95Å; I105-M649 HydrophobicContact CB-CG 4.48Å; I105-M649 HydrophobicContact CG2-CG 3.71Å; I105-M649 HydrophobicContact CG2-SD 4.49Å; V106-M649 HydrophobicContact CG2-CG 4.29Å; V106-M649 HydrophobicContact CG2-SD 3.56Å; V106-M649 VanDerWaalsContact CG2-SD 3.56Å; W200-M649 WeakPolarHBondContact O-CE 3.32Å; F202-M649 HydrophobicContact CD1-CE 4.43Å; F202-M649 HydrophobicContact CD1-SD 4.45Å; F645-M649 HydrophobicContact CB-CE 4.18Å; F645-M649 WeakPolarHBondContact O-CB 3.3Å; F645-M649 VanDerWaalsContact O-CG 3.27Å; F645-M649 WeakPolarHBondContact O-CG 3.41Å; F645-M649 PolarHBondContact O-N 3.2Å; H646-M649 PolarHBondContact O-N 3.43Å; M649-Y653 WeakPolarHBondContact O-CB 3.36Å; M649-Y653 PolarHBondContact O-N 2.87Å
650I87.1Confident83Confident12 Ų1260.4 Ų60.46%0.06230%0.298CS..Hα-helixtrans-65.9-48.1176-71.3165.4000110.3F131 P134 H646 Y652 Y653 L654F131-I650 HydrophobicContact CE2-CD1 4.08Å; F131-I650 HydrophobicContact CE2-CG1 4.42Å; F131-I650 HydrophobicContact CZ-CD1 3.84Å; F131-I650 HydrophobicContact CZ-CG1 4.04Å; P134-I650 HydrophobicContact CB-CG2 4.07Å; P134-I650 HydrophobicContact CG-CG2 3.67Å; H646-I650 HydrophobicContact CB-CD1 4.47Å; H646-I650 VanDerWaalsContact O-CB 3.27Å; H646-I650 WeakPolarHBondContact O-CB 3.21Å; H646-I650 WeakPolarHBondContact O-CD1 3.41Å; H646-I650 WeakPolarHBondContact O-CG1 3.49Å; H646-I650 PolarHBondContact O-N 3.04Å; I650-Y652 VanDerWaalsContact C-N 3.35Å; I650-Y652 PolarHBondContact O-N 3.38Å; I650-Y653 PolarHBondContact O-N 2.98Å; I650-L654 HydrophobicContact CG2-CD1 3.69Å; I650-L654 HydrophobicContact CG2-CG 4.35Å; I650-L654 WeakPolarHBondContact O-CB 3.39Å; I650-L654 VanDerWaalsContact O-CG 3.27Å; I650-L654 WeakPolarHBondContact O-CG 3.33Å; I650-L654 PolarHBondContact O-N 3.3Å
651S86.6Confident84.3Confident70 Ų7057.5 Ų57.549%0.4928%0.275SS..Hα-helixtrans-61.1-42.2179.5-174.10000112E647 E648 L654 T655E647-S651 WeakPolarHBondContact O-CB 3.37Å; E647-S651 PolarHBondContact O-N 3.22Å; E648-S651 PolarHBondContact O-N 2.79Å; S651-L654 PolarHBondContact O-N 2.89Å; S651-T655 WeakPolarHBondContact O-CB 3.21Å; S651-T655 PolarHBondContact O-N 3.03Å; S651-T655 PolarHBondContact O-OG1 2.79Å
652Y86.1Confident85.6Confident111 Ų11155.1 Ų55.144%0.43527%0.271SS..Hα-helixtrans-68.4-41.5177-154.6-71.4000111.5A101 E648 I650 L654 T655 N656A101-Y652 HydrophobicContact CB-CD1 4.3Å; A101-Y652 WeakPolarHBondContact O-CD1 3.15Å; A101-Y652 WeakPolarHBondContact O-CE1 3.27Å; E648-Y652 VanDerWaalsContact O-CB 3.32Å; E648-Y652 WeakPolarHBondContact O-CB 3.42Å; E648-Y652 PolarHBondContact O-N 2.77Å; I650-Y652 VanDerWaalsContact C-N 3.35Å; I650-Y652 PolarHBondContact O-N 3.38Å; Y652-L654 PolarHBondContact O-N 2.88Å; Y652-T655 PolarHBondContact O-N 2.65Å; Y652-N656 WeakPolarHBondContact CE1-ND2 3.4Å; Y652-N656 WeakPolarHBondContact CE1-OD1 3.25Å; Y652-N656 PolarHBondContact O-N 2.91Å
653Y89.5Confident86.5Confident3 Ų356.9 Ų56.91%0.01228%0.282CS..Hα-helixtrans-57.8-48.9173.3168.2-93.6000111.5R96 I98 I147 D150 L151 M649 I650 T655 N656 A657R96-Y653 WeakPolarHBondContact O-CD2 3.45Å; R96-Y653 VanDerWaalsContact O-CE2 3.24Å; R96-Y653 WeakPolarHBondContact O-CE2 3.4Å; I98-Y653 HydrophobicContact CG1-CD1 4.31Å; I98-Y653 HydrophobicContact CG1-CD2 4.2Å; I98-Y653 HydrophobicContact CG1-CG 3.89Å; I147-Y653 HydrophobicContact CG1-CE1 4.43Å; I147-Y653 HydrophobicContact CG2-CE1 4.02Å; D150-Y653 VanDerWaalsContact CB-OH 3.24Å; D150-Y653 WeakPolarHBondContact CB-OH 3.42Å; D150-Y653 PolarHBondContact OD2-OH 3Å; L151-Y653 HydrophobicContact CD1-CD1 4.27Å; L151-Y653 HydrophobicContact CD1-CE1 3.68Å; L151-Y653 HydrophobicContact CD2-CD2 4.3Å; L151-Y653 HydrophobicContact CD2-CE1 4.09Å; L151-Y653 HydrophobicContact CD2-CE2 3.73Å; L151-Y653 HydrophobicContact CG-CE1 3.98Å; L151-Y653 HydrophobicContact CG-CE2 4.35Å; M649-Y653 WeakPolarHBondContact O-CB 3.36Å; M649-Y653 PolarHBondContact O-N 2.87Å; I650-Y653 PolarHBondContact O-N 2.98Å; Y653-T655 VanDerWaalsContact C-N 3.33Å; Y653-T655 PolarHBondContact O-N 3.46Å; Y653-N656 PolarHBondContact O-N 2.8Å; Y653-A657 HydrophobicContact CE1-CB 4.12Å; Y653-A657 VanDerWaalsContact O-CB 3.31Å; Y653-A657 WeakPolarHBondContact O-CB 3.26Å; Y653-A657 PolarHBondContact O-N 3.43Å
654L89.4Confident87.3Confident21 Ų2158.5 Ų58.511%0.1129%0.29CS..Hα-helixtrans-63.8-38.5-178.9-70.3166.8000111.8P134 L136 Y139 I147 I650 S651 Y652 A657 Q658P134-L654 HydrophobicContact CG-CD1 4.22Å; L136-L654 HydrophobicContact CD2-CD2 4.48Å; Y139-L654 HydrophobicContact CE2-CD2 4.21Å; I147-L654 HydrophobicContact CD1-CD2 3.69Å; I650-L654 HydrophobicContact CG2-CD1 3.69Å; I650-L654 HydrophobicContact CG2-CG 4.35Å; I650-L654 WeakPolarHBondContact O-CB 3.39Å; I650-L654 VanDerWaalsContact O-CG 3.27Å; I650-L654 WeakPolarHBondContact O-CG 3.33Å; I650-L654 PolarHBondContact O-N 3.3Å; S651-L654 PolarHBondContact O-N 2.89Å; Y652-L654 PolarHBondContact O-N 2.88Å; L654-A657 PolarHBondContact O-N 3.47Å; L654-Q658 WeakPolarHBondContact O-CB 3.35Å; L654-Q658 PolarHBondContact O-N 3.3Å
655T88.9Confident88Confident90 Ų9055.2 Ų55.255%0.55228%0.275SS*.Hα-helixtrans-63.1-49.8175.4-55.70000110.9S651 Y652 Y653 A657 Q658 E659S651-T655 WeakPolarHBondContact O-CB 3.21Å; S651-T655 PolarHBondContact O-N 3.03Å; S651-T655 PolarHBondContact O-OG1 2.79Å; Y652-T655 PolarHBondContact O-N 2.65Å; Y653-T655 VanDerWaalsContact C-N 3.33Å; Y653-T655 PolarHBondContact O-N 3.46Å; T655-A657 VanDerWaalsContact C-N 3.29Å; T655-A657 PolarHBondContact O-N 2.98Å; T655-Q658 PolarHBondContact O-N 3.09Å; T655-E659 PolarHBondContact O-N 3Å; T655-E659 VanDerWaalsContact O-N 3.14Å
656N88.2Confident88.5Confident48 Ų4857.3 Ų57.326%0.25729%0.285SS..Hα-helixtrans-62.6-34.9174.8-72.54.7000112.4A101 Y652 Y653 R660A101-N656 PolarHBondContact O-ND2 3.19Å; Y652-N656 WeakPolarHBondContact CE1-ND2 3.4Å; Y652-N656 WeakPolarHBondContact CE1-OD1 3.25Å; Y652-N656 PolarHBondContact O-N 2.91Å; Y653-N656 PolarHBondContact O-N 2.8Å; N656-R660 VanDerWaalsContact O-CG 3.25Å; N656-R660 WeakPolarHBondContact O-CG 3.34Å; N656-R660 PolarHBondContact O-N 3.11Å; N656-R660 VanDerWaalsContact O-N 3.16Å; N656-R660 PolarHBondContact O-NE 2.87Å
657A89.4Confident88.7Confident0 Ų062.9 Ų62.90%031%0.311CS..Hα-helixtrans-67.4-42.5176.600000111.2F143 F146 I147 Y653 L654 T655 E659 R660 F661F143-A657 HydrophobicContact CE2-CB 4.01Å; F143-A657 HydrophobicContact CZ-CB 4.05Å; F146-A657 HydrophobicContact CE1-CB 4.15Å; F146-A657 WeakPolarHBondContact CE1-O 3.13Å; I147-A657 HydrophobicContact CG1-CB 4.3Å; Y653-A657 HydrophobicContact CE1-CB 4.12Å; Y653-A657 VanDerWaalsContact O-CB 3.31Å; Y653-A657 WeakPolarHBondContact O-CB 3.26Å; Y653-A657 PolarHBondContact O-N 3.43Å; L654-A657 PolarHBondContact O-N 3.47Å; T655-A657 VanDerWaalsContact C-N 3.29Å; T655-A657 PolarHBondContact O-N 2.98Å; A657-E659 VanDerWaalsContact C-N 3.34Å; A657-E659 PolarHBondContact O-N 2.75Å; A657-R660 PolarHBondContact O-N 3.16Å; A657-F661 VanDerWaalsContact O-CB 3.3Å; A657-F661 WeakPolarHBondContact O-CB 3.29Å; A657-F661 PolarHBondContact O-N 2.68Å
658Q90.8Very high89Confident80 Ų8061.5 Ų61.537%0.37430%0.303SS..Hα-helixtrans-62.7-39.3177.7-176.362.573.200111.8F143 L654 T655 S662F143-Q658 HydrophobicContact CE1-CB 4.41Å; F143-Q658 VanDerWaalsContact CE1-OE1 3.32Å; F143-Q658 HydrophobicContact CE2-CB 4.37Å; F143-Q658 HydrophobicContact CZ-CB 3.82Å; L654-Q658 WeakPolarHBondContact O-CB 3.35Å; L654-Q658 PolarHBondContact O-N 3.3Å; T655-Q658 PolarHBondContact O-N 3.09Å; Q658-S662 WeakPolarHBondContact O-CB 3.41Å; Q658-S662 PolarHBondContact O-N 3.03Å; Q658-S662 PolarHBondContact O-OG 3.5Å
659E89.7Confident89.3Confident116 Ų11663.6 Ų63.654%0.54231%0.307SS..Hα-helixtrans-63.5-52.4173.9-164.3-164.8162.900111.2T655 A657 F661 S662 Q663T655-E659 PolarHBondContact O-N 3Å; T655-E659 VanDerWaalsContact O-N 3.14Å; A657-E659 VanDerWaalsContact C-N 3.34Å; A657-E659 PolarHBondContact O-N 2.75Å; E659-F661 VanDerWaalsContact C-N 3.32Å; E659-F661 PolarHBondContact O-N 3.02Å; E659-S662 WeakPolarHBondContact O-CA 3.25Å; E659-S662 WeakPolarHBondContact O-CB 3.39Å; E659-S662 PolarHBondContact O-N 3.42Å; E659-Q663 WeakPolarHBondContact O-CG 3.46Å; E659-Q663 PolarHBondContact O-N 3.25Å; E659-Q663 PolarHBondContact OE1-NE2 3.29Å
660R89.7Confident89.6Confident43 Ų4368.7 Ų68.716%0.16233%0.328CS..Hα-helixtrans-62-36.8-179.1-67.7176.7-61.5116.2-12.9112.8F146 D150 N656 A657 Q663 E664F146-R660 HydrophobicContact CE1-CB 4.37Å; F146-R660 HydrophobicContact CZ-CB 3.72Å; D150-R660 IonicContact OD1-NH1 3.47Å; D150-R660 IonicContact OD2-CZ 3.66Å; D150-R660 IonicContact OD2-NH1 2.82Å; D150-R660 PolarHBondContact OD2-NH1 3.37Å; D150-R660 IonicContact OD2-NH2 3.61Å; D150-R660 PolarHBondContact OD2-NH2 2.64Å; N656-R660 VanDerWaalsContact O-CG 3.25Å; N656-R660 WeakPolarHBondContact O-CG 3.34Å; N656-R660 PolarHBondContact O-N 3.11Å; N656-R660 VanDerWaalsContact O-N 3.16Å; N656-R660 PolarHBondContact O-NE 2.87Å; A657-R660 PolarHBondContact O-N 3.16Å; R660-Q663 PolarHBondContact O-N 3.07Å; R660-E664 PolarHBondContact O-N 3.27Å
661F92.2Very high89.7Confident22 Ų2272.4 Ų72.410%0.09635%0.346CS..Hα-helixtrans-64.3-42.5172.1174.6-102000111.7D142 F143 F146 A657 E659 Q663 E664 Q665D142-F661 HydrophobicContact CB-CE2 3.89Å; D142-F661 HydrophobicContact CB-CZ 3.65Å; D142-F661 WeakPolarHBondContact O-CE2 3.48Å; F143-F661 HydrophobicContact CB-CD1 4.28Å; F143-F661 HydrophobicContact CB-CD2 4.47Å; F143-F661 HydrophobicContact CB-CE1 4.04Å; F143-F661 HydrophobicContact CB-CE2 4.24Å; F143-F661 HydrophobicContact CB-CG 4.48Å; F143-F661 HydrophobicContact CB-CZ 4.01Å; F143-F661 HydrophobicContact CD2-CB 3.67Å; F143-F661 AromaticContact CD2-CD1 3.86Å; F143-F661 HydrophobicContact CD2-CD1 3.86Å; F143-F661 AromaticContact CD2-CD2 3.97Å; F143-F661 HydrophobicContact CD2-CD2 3.97Å; F143-F661 HydrophobicContact CD2-CE1 4.47Å; F143-F661 AromaticContact CD2-CG 3.56Å; F143-F661 HydrophobicContact CD2-CG 3.56Å; F143-F661 HydrophobicContact CE2-CB 3.85Å; F143-F661 HydrophobicContact CE2-CG 4.25Å; F143-F661 HydrophobicContact CG-CD1 4.29Å; F143-F661 HydrophobicContact CG-CG 4.37Å; F146-F661 HydrophobicContact CB-CD2 3.67Å; F146-F661 HydrophobicContact CB-CE2 4.25Å; F146-F661 HydrophobicContact CD1-CB 4.04Å; F146-F661 HydrophobicContact CD2-CB 4.14Å; F146-F661 AromaticContact CD2-CD2 3.84Å; F146-F661 HydrophobicContact CD2-CD2 3.84Å; F146-F661 HydrophobicContact CE1-CB 4.13Å; F146-F661 HydrophobicContact CE2-CB 4.23Å; F146-F661 HydrophobicContact CG-CB 4.06Å; F146-F661 AromaticContact CG-CD2 3.77Å; F146-F661 HydrophobicContact CG-CD2 3.77Å; F146-F661 HydrophobicContact CG-CG 4.37Å; F146-F661 HydrophobicContact CZ-CB 4.23Å; A657-F661 VanDerWaalsContact O-CB 3.3Å; A657-F661 WeakPolarHBondContact O-CB 3.29Å; A657-F661 PolarHBondContact O-N 2.68Å; E659-F661 VanDerWaalsContact C-N 3.32Å; E659-F661 PolarHBondContact O-N 3.02Å; F661-Q663 VanDerWaalsContact C-N 3.31Å; F661-Q663 PolarHBondContact O-N 2.77Å; F661-E664 PolarHBondContact O-N 3.27Å; F661-Q665 HydrophobicContact CD1-CG 4.34Å; F661-Q665 HydrophobicContact CD2-CG 4.46Å; F661-Q665 HydrophobicContact CE1-CG 3.98Å; F661-Q665 HydrophobicContact CE2-CG 4.12Å; F661-Q665 VanDerWaalsContact CE2-NE2 3.34Å; F661-Q665 HydrophobicContact CZ-CG 3.87Å; F661-Q665 VanDerWaalsContact CZ-NE2 3.26Å; F661-Q665 WeakPolarHBondContact O-CG 3.44Å; F661-Q665 PolarHBondContact O-N 2.95Å
662S91.9Very high89.8Confident62 Ų6272 Ų7243%0.43435%0.346SS..Hα-helixtrans-63.8-38177.1-52.90000111.6Q658 E659 E666Q658-S662 WeakPolarHBondContact O-CB 3.41Å; Q658-S662 PolarHBondContact O-N 3.03Å; Q658-S662 PolarHBondContact O-OG 3.5Å; E659-S662 WeakPolarHBondContact O-CA 3.25Å; E659-S662 WeakPolarHBondContact O-CB 3.39Å; E659-S662 PolarHBondContact O-N 3.42Å; S662-E666 WeakPolarHBondContact O-CB 3.41Å; S662-E666 PolarHBondContact O-N 3.15Å
663Q90.4Very high89.7Confident105 Ų10572.6 Ų72.649%0.49135%0.353SS..Hα-helixtrans-64.9-43.5171.5-65172.89.600111.9E659 R660 F661 Q665 E666 Q667E659-Q663 WeakPolarHBondContact O-CG 3.46Å; E659-Q663 PolarHBondContact O-N 3.25Å; E659-Q663 PolarHBondContact OE1-NE2 3.29Å; R660-Q663 PolarHBondContact O-N 3.07Å; F661-Q663 VanDerWaalsContact C-N 3.31Å; F661-Q663 PolarHBondContact O-N 2.77Å; Q663-Q665 PolarHBondContact O-N 3.33Å; Q663-E666 PolarHBondContact O-N 3.02Å; Q663-Q667 WeakPolarHBondContact O-CB 3.45Å; Q663-Q667 PolarHBondContact O-N 2.86Å
664E89.2Confident89.4Confident48 Ų4880.8 Ų80.822%0.22439%0.389CS..Hα-helixtrans-60.2-42.4176.1-167.6-173.1113.300111.4F146 R149 R660 F661 K668F146-E664 WeakPolarHBondContact CD2-OE2 3.34Å; F146-E664 HydrophobicContact CE2-CB 4.49Å; F146-E664 WeakPolarHBondContact CE2-OE2 3.16Å; R149-E664 IonicContact CZ-OE2 2.73Å; R149-E664 IonicContact NH1-OE2 2.64Å; R149-E664 PolarHBondContact NH1-OE2 3.31Å; R149-E664 IonicContact NH2-OE1 2.71Å; R149-E664 PolarHBondContact NH2-OE1 3.49Å; R149-E664 IonicContact NH2-OE2 3.81Å; R149-E664 PolarHBondContact NH2-OE2 3.12Å; R660-E664 PolarHBondContact O-N 3.27Å; F661-E664 PolarHBondContact O-N 3.27Å; E664-K668 WeakPolarHBondContact O-CG 3.4Å; E664-K668 PolarHBondContact O-N 2.86Å; E664-K668 WeakPolarHBondContact OE1-CE 3.44Å; E664-K668 IonicContact OE1-NZ 3.24Å; E664-K668 PolarHBondContact OE1-NZ 2.96Å
665Q89.8Confident88.4Confident64 Ų6487 Ų8730%0.29942%0.415SS..Hα-helixtrans-70.3-42.1178.6-65.6-66.96.400112.7F661 Q663 Q667 K668 R669F661-Q665 HydrophobicContact CD1-CG 4.34Å; F661-Q665 HydrophobicContact CD2-CG 4.46Å; F661-Q665 HydrophobicContact CE1-CG 3.98Å; F661-Q665 HydrophobicContact CE2-CG 4.12Å; F661-Q665 VanDerWaalsContact CE2-NE2 3.34Å; F661-Q665 HydrophobicContact CZ-CG 3.87Å; F661-Q665 VanDerWaalsContact CZ-NE2 3.26Å; F661-Q665 WeakPolarHBondContact O-CG 3.44Å; F661-Q665 PolarHBondContact O-N 2.95Å; Q663-Q665 PolarHBondContact O-N 3.33Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.46Å; Q665-K668 PolarHBondContact O-N 2.89Å; Q665-R669 WeakPolarHBondContact O-CB 3.19Å; Q665-R669 PolarHBondContact O-N 2.98Å
666E91.3Very high87.1Confident81 Ų8188 Ų8838%0.37942%0.423SS..Hα-helixtrans-66.6-33.3176.1177.559.6-169.600112S662 Q663 K670S662-E666 WeakPolarHBondContact O-CB 3.41Å; S662-E666 PolarHBondContact O-N 3.15Å; Q663-E666 PolarHBondContact O-N 3.02Å; E666-K670 HydrophobicContact CG-CD 4.34Å; E666-K670 WeakPolarHBondContact O-CB 3.4Å; E666-K670 WeakPolarHBondContact O-CG 3.37Å; E666-K670 PolarHBondContact O-N 3.4Å; E666-K670 WeakPolarHBondContact OE1-CE 3.43Å; E666-K670 IonicContact OE1-NZ 3.43Å; E666-K670 PolarHBondContact OE1-NZ 2.63Å
667Q89.6Confident85.4Confident117 Ų11791.6 Ų91.655%0.54745%0.449SS..Hα-helixtrans-65.9-50.3170178.8171.5-14.500111.4Q663 Q665 R669 K670 E671Q663-Q667 WeakPolarHBondContact O-CB 3.45Å; Q663-Q667 PolarHBondContact O-N 2.86Å; Q665-Q667 VanDerWaalsContact C-N 3.32Å; Q665-Q667 PolarHBondContact O-N 3.46Å; Q667-R669 PolarHBondContact O-N 3.2Å; Q667-K670 CarbonylContact O-C 3.34Å; Q667-K670 PolarHBondContact O-N 3.04Å; Q667-K670 VanDerWaalsContact O-N 3.11Å; Q667-E671 HydrophobicContact CG-CG 4.42Å; Q667-E671 VanDerWaalsContact CG-OE1 3.29Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.35Å; Q667-E671 PolarHBondContact NE2-OE1 3Å; Q667-E671 WeakPolarHBondContact O-CG 3.19Å; Q667-E671 PolarHBondContact O-N 3.06Å
668K89.7Confident83.3Confident95 Ų9595.8 Ų95.841%0.41348%0.484SS..Hα-helixtrans-56-39.5176-75.6171.4-173.6167.80112.1E664 Q665 E671 A672E664-K668 WeakPolarHBondContact O-CG 3.4Å; E664-K668 PolarHBondContact O-N 2.86Å; E664-K668 WeakPolarHBondContact OE1-CE 3.44Å; E664-K668 IonicContact OE1-NZ 3.24Å; E664-K668 PolarHBondContact OE1-NZ 2.96Å; Q665-K668 PolarHBondContact O-N 2.89Å; K668-E671 PolarHBondContact O-N 3.24Å; K668-A672 WeakPolarHBondContact O-CB 3.42Å; K668-A672 PolarHBondContact O-N 2.89Å
669R91Very high81Confident147 Ų14798.4 Ų98.456%0.55551%0.505SS*.Hα-helixtrans-61.3-52174-177-178.1176.5161.66111.5Q665 Q667 E671 A672 E673Q665-R669 WeakPolarHBondContact O-CB 3.19Å; Q665-R669 PolarHBondContact O-N 2.98Å; Q667-R669 PolarHBondContact O-N 3.2Å; R669-E671 PolarHBondContact O-N 2.94Å; R669-A672 PolarHBondContact O-N 2.86Å; R669-A672 VanDerWaalsContact O-N 3.12Å; R669-E673 HydrophobicContact CG-CG 4.46Å; R669-E673 IonicContact CZ-OE1 2.77Å; R669-E673 IonicContact NE-OE1 3.12Å; R669-E673 PolarHBondContact NE-OE1 3.04Å; R669-E673 IonicContact NH2-OE1 2.82Å; R669-E673 PolarHBondContact NH2-OE1 2.87Å; R669-E673 WeakPolarHBondContact O-CG 3.3Å; R669-E673 PolarHBondContact O-N 2.94Å
670K92.2Very high78.6Confident107 Ų10798.7 Ų98.747%0.46552%0.515SS..Hα-helixtrans-61.2-29176.7-79.2164.9166137.20113.3E666 Q667 K674E666-K670 HydrophobicContact CG-CD 4.34Å; E666-K670 WeakPolarHBondContact O-CB 3.4Å; E666-K670 WeakPolarHBondContact O-CG 3.37Å; E666-K670 PolarHBondContact O-N 3.4Å; E666-K670 WeakPolarHBondContact OE1-CE 3.43Å; E666-K670 IonicContact OE1-NZ 3.43Å; E666-K670 PolarHBondContact OE1-NZ 2.63Å; Q667-K670 CarbonylContact O-C 3.34Å; Q667-K670 PolarHBondContact O-N 3.04Å; Q667-K670 VanDerWaalsContact O-N 3.11Å; K670-K674 WeakPolarHBondContact O-CB 3.38Å; K670-K674 WeakPolarHBondContact O-CD 3.27Å; K670-K674 WeakPolarHBondContact O-CG 3.04Å; K670-K674 PolarHBondContact O-N 2.95Å
671E88.2Confident76Confident91 Ų91105.4 Ų105.443%0.42555%0.548SS..Hα-helixtrans-78.7-34.3173.7-72.9175.8-165.800112.7Q667 K668 R669 K674 K675Q667-E671 HydrophobicContact CG-CG 4.42Å; Q667-E671 VanDerWaalsContact CG-OE1 3.29Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.35Å; Q667-E671 PolarHBondContact NE2-OE1 3Å; Q667-E671 WeakPolarHBondContact O-CG 3.19Å; Q667-E671 PolarHBondContact O-N 3.06Å; K668-E671 PolarHBondContact O-N 3.24Å; R669-E671 PolarHBondContact O-N 2.94Å; E671-K674 PolarHBondContact O-N 3.43Å; E671-K675 PolarHBondContact O-N 3.19Å
672A87.9Confident73.5Confident61 Ų61109.9 Ų109.950%0.50458%0.577SS.*Hα-helixtrans-68.3-45172.400000111.7K668 R669 K674 K675K668-A672 WeakPolarHBondContact O-CB 3.42Å; K668-A672 PolarHBondContact O-N 2.89Å; R669-A672 PolarHBondContact O-N 2.86Å; R669-A672 VanDerWaalsContact O-N 3.12Å; A672-K674 PolarHBondContact O-N 2.93Å; A672-K675 PolarHBondContact O-N 3.33Å; A672-K675 VanDerWaalsContact O-N 3.07Å
673E85.3Confident70.7Confident124 Ų124111.7 Ų111.758%0.57959%0.59SS**THydrogen-bonded Turntrans-66.5-18176.1-69.7175.4176.600112.8R669R669-E673 HydrophobicContact CG-CG 4.46Å; R669-E673 IonicContact CZ-OE1 2.77Å; R669-E673 IonicContact NE-OE1 3.12Å; R669-E673 PolarHBondContact NE-OE1 3.04Å; R669-E673 IonicContact NH2-OE1 2.82Å; R669-E673 PolarHBondContact NH2-OE1 2.87Å; R669-E673 WeakPolarHBondContact O-CG 3.3Å; R669-E673 PolarHBondContact O-N 2.94Å
674K83.6Confident67.9Low174 Ų174111.7 Ų111.776%0.75760%0.602SS**THydrogen-bonded Turntrans-89-11.2171.8-78.5173.8-176.2179.40114.6K670 E671 A672K670-K674 WeakPolarHBondContact O-CB 3.38Å; K670-K674 WeakPolarHBondContact O-CD 3.27Å; K670-K674 WeakPolarHBondContact O-CG 3.04Å; K670-K674 PolarHBondContact O-N 2.95Å; E671-K674 PolarHBondContact O-N 3.43Å; A672-K674 PolarHBondContact O-N 2.93Å
675K67.8Low65.1Low153 Ų153118.5 Ų118.567%0.66563%0.63SS**SBendtrans-81.6124.9173.2-75.6170.6-177.7172.70108.6E671 A672E671-K675 PolarHBondContact O-N 3.19Å; A672-K675 PolarHBondContact O-N 3.33Å; A672-K675 VanDerWaalsContact O-N 3.07Å
676P60.8Low62.2Low111 Ų111123.2 Ų123.272%0.72165%0.65SS**PPolyproline II helixtrans-63.1147.6176.927.7-34.5000110A678P676-A678 PolarHBondContact O-N 3.46Å
677P52.7Low59.3Low123 Ų123124.9 Ų124.980%0.79967%0.668SS**PPolyproline II helixtrans-61.1123.8177.525.9-33.9000109.7T679P677-T679 PolarHBondContact O-N 3.48Å
678A46.2Very low56.4Low88 Ų88126.7 Ų126.773%0.72768%0.676SS**PPolyproline II helixtrans-60122.7172.700000108.8P676 T680P676-A678 PolarHBondContact O-N 3.46Å; A678-T680 PolarHBondContact O-N 3.33Å; A678-T680 PolarHBondContact O-OG1 2.69Å
679T41.4Very low53.6Low134 Ų134130.8 Ų130.882%0.82270%0.696SS**  trans-59.5104.7-173.444.10000110.6P677 E681P677-T679 PolarHBondContact O-N 3.48Å; T679-E681 PolarHBondContact O-N 2.92Å; T679-E681 VanDerWaalsContact O-N 3.13Å
680T39.9Very low50.5Low123 Ų123131.5 Ų131.576%0.75571%0.706SS**  trans-7995.8179.3-40.10000108.6A678 V682A678-T680 PolarHBondContact O-N 3.33Å; A678-T680 PolarHBondContact O-OG1 2.69Å; T680-V682 HydrophobicContact CG2-CG2 4.37Å; T680-V682 PolarHBondContact O-N 2.97Å
681E35.3Very low47.4Very low183 Ų183132.3 Ų132.386%0.85573%0.725SS**  trans-68.293.8172-75.4-155.7146.700110.4T679 S683T679-E681 PolarHBondContact O-N 2.92Å; T679-E681 VanDerWaalsContact O-N 3.13Å; E681-S683 PolarHBondContact O-N 3.26Å
682V38.5Very low44.5Very low116 Ų116132.9 Ų132.970%0.70374%0.735SS**  trans-75.379173.1-175.30000109.4T680 S684T680-V682 HydrophobicContact CG2-CG2 4.37Å; T680-V682 PolarHBondContact O-N 2.97Å; V682-S684 VanDerWaalsContact C-N 3.32Å; V682-S684 PolarHBondContact O-N 2.65Å
683S33.7Very low41.5Very low101 Ų101138 Ų13871%0.70675%0.746SS**  trans-72.487.3171.7-159.50000110.3E681 K685E681-S683 PolarHBondContact O-N 3.26Å; S683-K685 PolarHBondContact O-N 3.04Å; S683-K685 VanDerWaalsContact O-N 3.1Å
684S32.5Very low38.7Very low105 Ų105139.7 Ų139.773%0.73475%0.754SS**  trans-71.7100.1179.4-63.70000111V682V682-S684 VanDerWaalsContact C-N 3.32Å; V682-S684 PolarHBondContact O-N 2.65Å
685K30.6Very low36Very low190 Ų190141.1 Ų141.183%0.82676%0.755SS**  trans-116.4101.1166.9-75.5-167.3175.7-177.50111.7S683S683-K685 PolarHBondContact O-N 3.04Å; S683-K685 VanDerWaalsContact O-N 3.1Å
686K28.1Very low34Very low163 Ų163139.8 Ų139.871%0.70975%0.751SS**  trans-68.9131.9168.7-176.8-166.4-179.4-161.20109.3E688K686-E688 HydrophobicContact CD-CG 4.49Å; K686-E688 WeakPolarHBondContact CE-OE1 3.43Å; K686-E688 IonicContact NZ-OE1 3.89Å; K686-E688 PolarHBondContact NZ-OE1 3.28Å
687P31.4Very low32.4Very low117 Ų117145.6 Ų145.676%0.7676%0.758SS**  trans-78.3135.6169.331.7-32.1000110.3
688E28.3Very low31.2Very low155 Ų155144.9 Ų144.972%0.72476%0.756SS**  trans-121.7169162.1-71.6-172.3173.100109.4K686K686-E688 HydrophobicContact CD-CG 4.49Å; K686-E688 WeakPolarHBondContact CE-OE1 3.43Å; K686-E688 IonicContact NZ-OE1 3.89Å; K686-E688 PolarHBondContact NZ-OE1 3.28Å
689H30.3Very low30.1Very low180 Ų180147.9 Ų147.983%0.83376%0.76SS**  trans-103.8179.8-143.3-159.7-104.5000114.2
690E26.2Very low29.4Very low162 Ų162146.7 Ų146.776%0.75776%0.757SS**  trans89.4103.3167.6-51.7-160.6138.800119
691S26.5Very low29.1Very low124 Ų124146.2 Ų146.287%0.86776%0.759SS**  -133147.812165.70000109.3
692V27.5Very low29Very low104 Ų104143.3 Ų143.363%0.6376%0.756SS**  trans-108.5140-171.81720000109.3
693F25.8Very low28.9Very low168 Ų168144 Ų14474%0.73776%0.763SS**  173.1127.5125.4-101.1-76.8000112.5
694Q25.5Very low29Very low159 Ų159148 Ų14874%0.74377%0.77SS**  trans23.7143146-60.3172.15.700119.9
695R26.4Very low28.7Very low205 Ų205148.4 Ų148.477%0.77477%0.773SS**  -166.8154.550.3-163.6169.9-174.1151.28.8115.7
696E26Very low28.4Very low125 Ų125145.3 Ų145.358%0.58477%0.774SS**  trans-3137.7164.3-55.217079.900123.5
697R27.3Very low28.5Very low232 Ų232143 Ų14388%0.87578%0.779SS**  trans86.2148.2135.1-88.1179168.6170.5-3.1123.2
698S27.5Very low29.6Very low108 Ų108142.9 Ų142.976%0.75578%0.778SS**  trans-55.4166.9171.3-26.30000113
699D24.3Very low29.5Very low152 Ų152141.3 Ų141.381%0.81378%0.778SS**  -165.8-179.255.1-147.8-15.4000114.9
700S26.6Very low29.4Very low109 Ų109140 Ų14076%0.76278%0.776SS**  trans80.9155.2167.176.50000119.2
701S32.6Very low30.3Very low113 Ų113137.8 Ų137.879%0.7978%0.776SS**  trans-137.5167.1-164.5-38.20000112
702P34Very low30.3Very low122 Ų122140 Ų14079%0.79277%0.772SS**  trans-105.9149.415435.9-28.4000112.3
703P36Very low30.4Very low130 Ų130143.5 Ų143.584%0.84478%0.782SS**  trans-98.8166.4-174.738.3-36.4000115
704E34.6Very low30.5Very low186 Ų186140.3 Ų140.387%0.86978%0.776SS**  trans-86.3154.5166.8-57.3-179.6123.500112.3
705S27.7Very low30.6Very low112 Ų112143.1 Ų143.178%0.78378%0.781SS**  154.2129.4123.8550000114.2
706C24.4Very low30.6Very low126 Ų126138.9 Ų138.985%0.85178%0.783SS**  trans166.6154.7132.3-86.20000112.1
707S29Very low30.7Very low115 Ų115140.1 Ų140.180%0.80479%0.794SS**  trans-138.4-166.3-179.2-49.60000107.8
708P54.4Low31.5Very low114 Ų114134.5 Ų134.574%0.7479%0.787SS**  cis-142.7-149.73.139.6-15.4000114.8
709V26.3Very low31.7Very low121 Ų121137.8 Ų137.873%0.73379%0.791SS**  trans84.3102.8170.5-167.10000114.9
710L29.1Very low33.3Very low152 Ų152135.2 Ų135.280%0.79678%0.783SS**  83.515155.3-70.6172000114.7
711P44.6Very low33.4Very low116 Ų116137.7 Ų137.775%0.75379%0.786SS**  cis-127.9173.55.941-25.8000117
712H27.6Very low33.3Very low171 Ų171139.3 Ų139.379%0.79279%0.785SS**  trans-94.2157.9167.7-85.9-81.4000112.7
713H28.3Very low33.1Very low177 Ų177138.2 Ų138.282%0.81978%0.78SS**  trans-165.3143.3140.4-85.9-69.5000108.5
714T28.1Very low32.7Very low102 Ų102140.4 Ų140.463%0.62678%0.784SS**  cis-166.1133.9-13.515.60000109.2
715Y27.8Very low32.5Very low217 Ų217140.2 Ų140.285%0.85178%0.78SS**  trans44.6134.2149.6-65.2-110.9000120.2
716S26.1Very low32.6Very low116 Ų116141.1 Ų141.181%0.81178%0.782SS**  -158163.856-60.70000115
717N28.8Very low32.8Very low152 Ų152144.3 Ų144.381%0.81378%0.784SS**  trans-79.2177.9-176.1-126.88.7000113.5
718P43.2Very low32.7Very low113 Ų113142.4 Ų142.473%0.73478%0.782SS**  cis-135.4178.41.439.9-20.5000117.8
719Q31.4Very low31.6Very low177 Ų177148 Ų14883%0.82779%0.789SS**  trans-88.1167.7170.8-85.7-88-43.700113.3
720P58.8Low31.6Very low99 Ų99149.2 Ų149.264%0.64379%0.791SS**  trans-100.4177-173.840.5-34.9000114.1
721L29Very low31.8Very low160 Ų160147.3 Ų147.384%0.83879%0.791SS**  trans-171.4125.7151.2-97.7146.8000114.2
722L30.1Very low31.9Very low147 Ų147147.9 Ų147.977%0.7779%0.794SS**  trans47.8119.8145.7-64.2171.6000125.3
723S28.7Very low32.2Very low99 Ų99147.3 Ų147.369%0.69280%0.795SS**  65121.3119.8-57.30000124.2
724L28.7Very low33Very low176 Ų176144.4 Ų144.492%0.92179%0.792SS**  -159.5175.2118.2-134.970.7000114.1
725K30.5Very low33Very low182 Ų182144.4 Ų144.479%0.79180%0.803SS**  trans-87.2151.7-174.6-57.4164.6177.8171.60112.7
726T29.4Very low33.2Very low132 Ų132138.1 Ų138.181%0.8180%0.795SS**  173152.2105.433.70000114.9
727Q28.6Very low33.4Very low193 Ų193139.6 Ų139.690%0.90279%0.794SS**  trans6144.5158.5-64.5171.4-4400122.3
728G26.5Very low33.4Very low74 Ų74139.2 Ų139.276%0.76379%0.791SS**  trans146.685.2133.400000120.5
729R31Very low32.7Very low232 Ų232138.6 Ų138.688%0.87579%0.79SS**  trans25117.6139-110.7-176.1178.9169.6-2.4120.1
730N27.7Very low32.6Very low146 Ų146136.2 Ų136.278%0.78179%0.787SS**  153.2141114-76.5-21.1000113.9
731S33.5Very low31.2Very low113 Ų113137 Ų13779%0.7979%0.79SS**  trans-99.9162.9159.7-410000109
732P45.8Very low31Very low127 Ų127138 Ų13883%0.82579%0.79SS**  -149.2174.878.139.2-19.8000117.1
733I34.9Very low31.2Very low160 Ų160137.8 Ų137.882%0.82180%0.795SS**  trans-86.7144.8171.3-73.1160.4000108.2
734P44.4Very low32.3Very low116 Ų116138.5 Ų138.575%0.75380%0.797SS**  -159.5158.796.442.1-21.2000121.3
735A28Very low33.3Very low102 Ų102136 Ų13684%0.84379%0.792SS**  trans76.1156139.800000121.9
736A33Very low33.4Very low85 Ų85134.6 Ų134.670%0.70279%0.792SS**  trans-137.6168.8177.700000109.5
737N30.3Very low33.5Very low147 Ų147134.4 Ų134.479%0.78679%0.791SS**  trans179.8139.4139-97.2-24.3000116
738L28.7Very low34.3Very low144 Ų144131 Ų13175%0.75479%0.785SS**  trans51.8117.5134.1-61.8167.6000122.7
739S28.6Very low35.9Very low100 Ų100133 Ų13370%0.69979%0.785SS**  149.711399-910000117.9
740T29Very low36.5Very low126 Ų126128.4 Ų128.477%0.77379%0.785SS**  50.8136.4116.9-300000123.4
741V28.8Very low36.8Very low115 Ų115126.9 Ų126.970%0.69779%0.786SS**  147.1120.1128.1167.50000117.5
742Q25.6Very low36.9Very low182 Ų182126.7 Ų126.785%0.8579%0.785SS**  trans62.9148.6147.9-73.1167.8-9.700126.6
743V33.8Very low36.3Very low142 Ų142128 Ų12886%0.86178%0.779SS**  trans-153124.5171.3176.80000112.9
744P50.8Low36.2Very low115 Ų115127.5 Ų127.575%0.74777%0.773SS**  trans-139.4-171.3155.340.4-25000112.3
745P50Low35.5Very low123 Ų123128.6 Ų128.680%0.79977%0.771SS**  cis-123.6-130.4-7.342-23.7000113.4
746L33.2Very low35.6Very low153 Ų153129 Ų12980%0.80177%0.768SS**  trans-152.3150.6-162.2-76.9160.6000115.8
747T32.2Very low35.6Very low128 Ų128133.8 Ų133.879%0.78578%0.776SS**  trans58172.3150.156.30000121
748P45.2Very low36.2Very low120 Ų120132.9 Ų132.978%0.77978%0.777SS**  cis-127.6-169.5-14.324.91.3000115
749P58.3Low36.4Very low118 Ų118130.3 Ų130.377%0.76678%0.777SS**  trans-113177.1-17242.6-35.4000117.7
750P45.1Very low37.6Very low134 Ų134131 Ų13187%0.8778%0.78SS**  trans-142.3-164.913739-22.5000115.6
751S34.2Very low37.6Very low115 Ų115130.9 Ų130.980%0.80478%0.778SS**  trans-139.8163.7-154.255.50000118.6
752S35.3Very low37.6Very low109 Ų109131 Ų13176%0.76278%0.784SS**  trans-179.6162.3170.956.50000113.3
753H33.1Very low38Very low154 Ų154126.8 Ų126.871%0.71378%0.78SS**  cis-167.4142.3-36.6-107.1-75.6000111.8
754H32Very low38.2Very low149 Ų149126.2 Ų126.269%0.6978%0.78SS**  trans62.4114.4146.7-69.6-41.3000128.1
755I31.4Very low37.2Very low140 Ų140125 Ų12572%0.71878%0.779SS**  86.4138.6113.5-72.4173.5000124.7
756S28.7Very low37.1Very low111 Ų111123.9 Ų123.978%0.77677%0.772SS**  trans102.4121.3147.262.70000123.1
757H33.6Very low36.9Very low185 Ų185126.4 Ų126.486%0.85677%0.772SS**  trans-90.1161.7149.2-70.9-80.3000109.4
758P43.8Very low36.6Very low127 Ų127125.6 Ų125.683%0.82577%0.771SS**  -149.5176.788.840.1-22.1000116.1
759A31.1Very low35.9Very low90 Ų90125.3 Ų125.374%0.74477%0.773SS**  trans-111.3-158.5161.400000108.2
760P55.2Low35Very low116 Ų116125.6 Ų125.675%0.75378%0.775SS**  cis-133.9-159.7-13.635.3-13.5000113.2
761V28.3Very low34.1Very low122 Ų122123.8 Ų123.874%0.73977%0.765SS**  trans145.8120.3133.4168.50000117.4
762S29Very low33.9Very low119 Ų119126.4 Ų126.483%0.83277%0.768SS**  trans71.8161.3151.675.30000123.2
763A33.7Very low33.5Very low92 Ų92124.4 Ų124.476%0.7677%0.765SS**  trans-126.6177-177.100000111.4
764P37.7Very low33.3Very low131 Ų131121.8 Ų121.885%0.85177%0.77SS**  -152.6-174.99341.5-23.1000116.3
765A30.4Very low33.2Very low90 Ų90124.8 Ų124.874%0.74478%0.781SS**  trans-111.1-167.4167.200000109.6
766P48.6Very low33.4Very low98 Ų98129.5 Ų129.564%0.63679%0.79SS**  cis-136.4-170.7-3.742.3-23.2000114.8
767Y28.7Very low34.2Very low207 Ų207130.7 Ų130.781%0.81279%0.794SS**  163.8143.1123.5-97.5-69.8000117.6
768S26.4Very low34.1Very low110 Ų110125 Ų12577%0.76979%0.787SS**  trans76.1138.6145-62.60000124.3
769S28.7Very low34Very low115 Ų115125.5 Ų125.580%0.80479%0.79SS**  trans-115.9174.9171.2-430000111.1
770P39.7Very low34.2Very low124 Ų124128.5 Ų128.581%0.80579%0.792SS**  -153.8-155.797.338.8-18.2000114.3
771S27.2Very low33.5Very low95 Ų95128.5 Ų128.566%0.66479%0.792SS**  -165.1172.7-91.861.80000112.3
772I29.6Very low33.4Very low170 Ų170129.1 Ų129.187%0.87280%0.795SS**  trans75.4150.4167.7-52.4158.3000115.9
773G27.3Very low33.3Very low68 Ų68128.5 Ų128.570%0.70179%0.791SS**  cis160.6114.3-15.600000118.1
774A29.2Very low33Very low98 Ų98128.5 Ų128.581%0.8179%0.791SS**  trans55118.4145.200000127.4
775K30Very low32.5Very low213 Ų213130.1 Ų130.193%0.92679%0.787SS**  trans83.3159.8131.1-69.6-179.6177.5177.90123.7
776R35.3Very low32.4Very low239 Ų239136.1 Ų136.190%0.90279%0.791SS**  trans-105.7174-167-49.9175.9-179.4169.9-2.5114.5
777P45.5Very low31.4Very low135 Ų135135.9 Ų135.988%0.87779%0.792SS**  -151.6-173.598.439.8-20.8000117.3
778G30.8Very low31.3Very low67 Ų67134.9 Ų134.969%0.69179%0.794SS**  trans-101.5-164.1177.500000115.3
779P42.1Very low31.5Very low137 Ų137136.1 Ų136.189%0.8980%0.798SS**  -155.4-148.179.643.7-21.4000117.3
780I35Very low31.6Very low153 Ų153136.6 Ų136.679%0.78580%0.798SS**  trans-134.2162-162-31.1170.1000112.9
781P39.9Very low31.6Very low116 Ų116136.5 Ų136.575%0.75380%0.797SS**  -135.6141.8126.918.23.3000114.1
782V26.9Very low31.5Very low134 Ų134140.3 Ų140.381%0.81281%0.808SS**  74.513365.3173.50000112.9
783S26.8Very low31.3Very low107 Ų107139.8 Ų139.875%0.74880%0.802SS**  cis-126.1-135.818.8-1510000114.1
784A27.9Very low31.4Very low91 Ų91147.9 Ų147.975%0.75281%0.812SS**  cis-151.7-147.711.300000114.1
785H27.2Very low31.3Very low165 Ų165151.2 Ų151.276%0.76481%0.81SS**  trans-141.4153.2-165.5-62.4-93.2000116.4
786Y27.5Very low31.1Very low216 Ų216147 Ų14785%0.84781%0.808SS**  -176.3174.5103.9-113.3-86.1000113.6
787S27.1Very low30.6Very low93 Ų93142 Ų14265%0.6580%0.804SS**  trans-157.4146.2-163.658.20000114.9
788H27.9Very low29.7Very low186 Ų186142.7 Ų142.786%0.86180%0.798SS**  trans-148.1151.2170-79.4-72.2000115
789T30.4Very low29.4Very low136 Ų136147.8 Ų147.883%0.83480%0.804SS**  trans-156.6149.6176.151.90000111.4
790P31.2Very low28.9Very low126 Ų126148 Ų14882%0.81880%0.796SS**  trans-115.5158164.737.2-27.6000114.5
791P38.2Very low28.5Very low121 Ų121149.8 Ų149.879%0.78680%0.802SS**  trans-118.1177.9-175.243.2-34.2000115.1
792I26.8Very low27.9Very low175 Ų175150.7 Ų150.790%0.89780%0.8SS**  trans-164.4160150.9-106.4153.7000111.7
793Q25.4Very low27.9Very low160 Ų160151.6 Ų151.675%0.74881%0.806SS**  trans-116157.8-170.2-51.7162.8-62.900114.3
794R29Very low27.9Very low237 Ų237152.9 Ų152.989%0.89480%0.804SS**  trans167.6123131.8-89.8155.3-176.2-170.5-0109.5
795H25.6Very low27.8Very low168 Ų168155.3 Ų155.378%0.77880%0.802SS**  69.710368.8-82.969.2000116.1
796S26.2Very low27.8Very low126 Ų126154.8 Ų154.888%0.88180%0.799SS**  trans-176.3164.4133.6-84.90000110.9
797V25.7Very low27.9Very low134 Ų134149.6 Ų149.681%0.81280%0.795SS**  trans-142.2177.5-168.6-169.90000109.1
798I26.6Very low27.8Very low149 Ų149151.1 Ų151.176%0.76481%0.805SS**  trans85.1140.9163.6-55.2174.3000114.4
799H25Very low27.9Very low173 Ų173149.4 Ų149.480%0.80180%0.801SS**  cis-135.5161.5-1.4-140.4-68.9000111.7
800L31.1Very low27.7Very low141 Ų141152.3 Ų152.374%0.73880%0.802SS**  trans-89.5152.9159.9-90.4158.4000111.2
801Q26.7Very low27.5Very low192 Ų192153.3 Ų153.390%0.89780%0.796SS**  trans-155.2136.2147.2-160.5156.617.400112.9
802D27.4Very low26.9Very low135 Ų135154.7 Ų154.772%0.72280%0.797SS**  trans-94.2159.6-178-42.7-100.7000113.2
803V27Very low26.9Very low153 Ų153153.7 Ų153.793%0.92779%0.793SS**  trans-140.3150.4143.3-166.10000108.5
804N25.2Very low27.6Very low133 Ų133150.7 Ų150.771%0.71179%0.788SS**  trans-131.2175.4-167.8-175.922.1000111
805M27.4Very low27.5Very low143 Ų143149.8 Ų149.870%0.70479%0.786SS**  trans73.9157.2164.1-60.6-16681.100118.1
806Q26.5Very low27.7Very low153 Ų153151.2 Ų151.272%0.71579%0.79SS**  cis-163168.9-36.4-162.6136.6-36.600109.1
807S28.7Very low27.8Very low108 Ų108151 Ų15176%0.75579%0.786SS**  trans-80.1155.4-178.554.60000115.6
808S25.8Very low27.9Very low124 Ų124151.4 Ų151.487%0.86779%0.788SS**  trans-142.8167.616160.90000112
809I29.2Very low27.9Very low151 Ų151150.9 Ų150.977%0.77479%0.792SS**  trans-131.4144.9-166.6-66.1161.4000109.1
810F26.4Very low28.2Very low196 Ų196146.3 Ų146.386%0.8679%0.791SS**  trans-171.3-173.9137.8-110.3-69.5000112.5
811Q28.3Very low27.9Very low147 Ų147145.9 Ų145.969%0.68779%0.794SS**  trans-113.9171.3-153.2-77.4-177.9-114.600116.9
812D25.8Very low28Very low151 Ų151145 Ų14581%0.80780%0.795SS**  trans87.9140.4148.7-65-13.8000121.7
813D26.6Very low28Very low153 Ų153147.7 Ų147.782%0.81880%0.8SS**  trans-102.5-178.1177.7-126.1-19.1000108.4
814P40.2Very low27.9Very low98 Ų98147.2 Ų147.264%0.63680%0.798SS**  cis-132161.8-7.838.8-22.4000115.5
815Y25.6Very low27.8Very low217 Ų217145.7 Ų145.785%0.85180%0.796SS**  172.2147.6127.3-113.1-95.5000111.4
816K30.9Very low27.7Very low198 Ų198144 Ų14486%0.86181%0.805SS**  trans-96.2140.3180-63.9178.6-178.4175.20113
817P26.8Very low27.8Very low123 Ų123142.5 Ų142.580%0.79981%0.807SS**  trans-106.6158.3141.435-29.3000111.5
818V29.4Very low27.7Very low142 Ų142147.8 Ų147.886%0.86181%0.812SS**  trans-95.8134.9178.1171.40000110.5
819V25.7Very low27.9Very low138 Ų138146.7 Ų146.784%0.83680%0.801SS**  trans-164.4150.3142131.90000110.8
820G30.6Very low28Very low76 Ų76147.8 Ų147.878%0.78480%0.803SS**  trans-53.8148.8-16300000118.9
821T26.7Very low28.3Very low132 Ų132147.3 Ų147.381%0.8180%0.804SS**  trans-122129.9166.4-43.60000108.8K823T821-K823 PolarHBondContact O-N 2.92Å
822L27.9Very low28.3Very low173 Ų173147.9 Ų147.991%0.90681%0.812SS**  trans-67.8125178-71.8157000110.3
823K26.4Very low28.5Very low193 Ų193145.9 Ų145.984%0.83979%0.793SS**  trans-97108.6168.6-76.1-170174.3-173.20110.2T821 C825T821-K823 PolarHBondContact O-N 2.92Å; K823-C825 PolarHBondContact O-N 3.13Å
824T25.5Very low28.4Very low143 Ų143144.8 Ų144.888%0.87779%0.792SS**  trans-8783.4166.841.40000109.8
825C24Very low27.7Very low100 Ų100148.5 Ų148.568%0.67681%0.805SS**  trans-77.6124.8172.4-59.40000110.2K823K823-C825 PolarHBondContact O-N 3.13Å
826A25.2Very low27.7Very low107 Ų107143.2 Ų143.288%0.88480%0.8SS**  trans-101.582.7172.400000109.9
827T27.8Very low27.4Very low123 Ų123138 Ų13876%0.75579%0.789SS**  trans-85.1121.9175.946.90000111.1
828Y27.8Very low27.4Very low219 Ų219140.8 Ų140.886%0.85979%0.791SS**  trans-67.5142.4157.7-111.5-98.4000109.4Q830Y828-Q830 PolarHBondContact O-N 3.21Å
829P29.7Very low27.2Very low100 Ų100138.2 Ų138.265%0.64978%0.779SS**  trans-84.9110.7-173.531.6-33.6000112.5Q831P829-Q831 PolarHBondContact O-N 3.2Å
830Q30Very low27Very low175 Ų175141.9 Ų141.982%0.81878%0.78SS**PPolyproline II helixtrans-66.6121.6151.8-75.3-173.4-15.500108.2Y828Y828-Q830 PolarHBondContact O-N 3.21Å
831Q34.3Very low26.6Very low186 Ų186143.6 Ų143.687%0.86978%0.779SS**PPolyproline II helixtrans-86.6125.7175.2-70.1-168.7-4.400110.4P829P829-Q831 PolarHBondContact O-N 3.2Å
832N26.8Very low27Very low159 Ų159143.1 Ų143.185%0.8578%0.779SS**PPolyproline II helixtrans-90.3160.7174.7-146.2-34.6000110.8
833R30.4Very low26.8Very low108 Ų108139.1 Ų139.141%0.40877%0.77SS.*SBendtrans-67.2163.8-171.6-60.9178.779.5-1434.8112.7H268H268-R833 PolarHBondContact CE1-NH1 3.16Å; H268-R833 PolarHBondContact NE2-NH1 3.26Å; H268-R833 PolarHBondContact NE2-NH2 3.1Å
834T24.7Very low26.8Very low130 Ų130140.7 Ų140.780%0.79877%0.771SS**  trans83.6107.6168.771.30000117.9
835L26.2Very low26.7Very low177 Ų177142.2 Ų142.293%0.92777%0.773SS**  trans-161.2110.5132-110.9174.4000109
836S24.8Very low26.7Very low106 Ų106142 Ų14274%0.74177%0.772SS**  trans-80.7132.2177.1-54.90000111.1Q838S836-Q838 PolarHBondContact O-N 3.03Å
837S25.5Very low26.7Very low89 Ų89140.3 Ų140.362%0.62277%0.766SS**  trans17.195.9155.361.60000118
838Q25.9Very low26.6Very low181 Ų181141.1 Ų141.185%0.84677%0.77SS**  trans-129.9105.2148.2-72.8-160.415.800110.4S836S836-Q838 PolarHBondContact O-N 3.03Å
839S24.6Very low26.5Very low87 Ų87141.7 Ų141.761%0.60877%0.771SS**  trans-84.4127.9175.6570000111.2
840Y22.9Very low26.2Very low216 Ų216143.2 Ų143.285%0.84778%0.778SS**  trans-142.3134.9165.4-98.7-74.2000114
841S21.8Very low25.9Very low111 Ų111140.6 Ų140.678%0.77677%0.774SS**  trans-169.4149.9166.5-83.50000108.9
842P34.3Very low25.5Very low123 Ų123138.4 Ų138.480%0.79977%0.769SS**  cis-132.3-166-1840.2-23.5000112.6
843A24Very low25.5Very low88 Ų88136.2 Ų136.273%0.72776%0.761SS**  trans98.5116.4152.500000121
844R27.2Very low25.3Very low226 Ų226138.9 Ų138.985%0.85378%0.78SS**  trans37.5121136.3-59-173.2-178.4-161.31.8120.4
845L22.6Very low25.2Very low175 Ų175138.8 Ų138.892%0.91678%0.775SS**  trans-82.4148.8135.1-80.9166.4000110.5
846S25Very low24.9Very low95 Ų95135.6 Ų135.666%0.66476%0.763SS**  trans-161.5130.5172.3-74.70000110.9
847G25.2Very low24.8Very low73 Ų73138 Ų13875%0.75377%0.766SS**  trans82.9167.5-176.500000113.8
848V24.9Very low24.6Very low140 Ų140138 Ų13885%0.84877%0.767SS**  cis-129.7139.56.8-176.50000111.6
849R26.2Very low24.4Very low230 Ų230139 Ų13987%0.86876%0.764SS**  trans-30.6172154.6-58.7164.2171.9175.7-4.6116.2
850T22.3Very low24.3Very low132 Ų132141.8 Ų141.881%0.8177%0.772SS**  trans-121.3165.815249.40000111.4
851V24.4Very low24.2Very low120 Ų120139.6 Ų139.673%0.72777%0.772SS**  trans124.1117.6158.1175.80000114.1
852N26.5Very low24.7Very low141 Ų141139.9 Ų139.975%0.75477%0.771SS**  trans70.1138.1165.4-66-3.8000118.1
853T25.2Very low24.1Very low112 Ų112137.2 Ų137.269%0.68777%0.766SS**  cis-158.6141.71.31.80000111.8
854M26.2Very low24.1Very low165 Ų165140.9 Ų140.981%0.81377%0.768SS**  trans61.2144.9160.8-62.1165.97900116.5
855D23.4Very low23.9Very low128 Ų128137 Ų13768%0.68476%0.759SS**  cis-150.3168.513.1-142.1-36.3000113.2
856T21Very low24Very low110 Ų110136.7 Ų136.768%0.67575%0.75SS**  trans69.292.2158.2-51.20000121.3
857L21.6Very low24.2Very low155 Ų155137.1 Ų137.181%0.81275%0.753SS**  trans70.2108.2132.4-59.8179.4000124.4
858S21.7Very low24.2Very low91 Ų91141.8 Ų141.864%0.63676%0.755SS**  106.5117110.1-72.10000124.3
859Y21.3Very low24.1Very low201 Ų201140.6 Ų140.679%0.78875%0.748SS**  94116.8130-95.4-109.9000124.2
860N21.8Very low24Very low145 Ų145139.9 Ų139.978%0.77575%0.747SS**  trans83.9145.5142.4-80.63000125.4
861M22.2Very low24.1Very low170 Ų170138.2 Ų138.284%0.83774%0.737SS**  trans-92.9-173.4171-71-82-70.100110
862P31Very low24.1Very low117 Ų117139.7 Ų139.776%0.7674%0.741SS**  cis-142.4177.36.644-25.8000118.2
863G23.3Very low24Very low67 Ų67136.2 Ų136.269%0.69174%0.738SS**  trans76.5176.2147.700000119
864E23.5Very low24Very low165 Ų165141 Ų14177%0.77175%0.75SS**  cis-164.8177.9-25.4-132-171.8-146.200111.8
865H23.5Very low24.1Very low145 Ų145140.4 Ų140.467%0.67175%0.75SS**  trans-19.8148.6170.5-61.4-71.1000119.4
866K25Very low24.1Very low169 Ų169138.8 Ų138.874%0.73575%0.754SS**  -165.4156.262.2-108.1105.8-175174.60114.5
867S28.6Very low24.3Very low103 Ų103136.5 Ų136.572%0.7275%0.753SS**  trans-93.6148.715654.40000111.2
868H24.5Very low24.5Very low172 Ų172136.4 Ų136.480%0.79675%0.753SS**  trans-139.6108.6161-94.4-75.6000113.4
869T24Very low24.8Very low115 Ų115138.2 Ų138.271%0.70675%0.754SS**  trans-68.3149.5158.1-37.30000109.7
870Y23Very low25Very low215 Ų215135.8 Ų135.884%0.84375%0.75SS**  trans-151155.6131.1-125.8-81.8000112.3
871T24.1Very low25.2Very low96 Ų96135.4 Ų135.459%0.58975%0.748SS**  trans-91.5154.4177.354.50000111.3
872N24.9Very low25.4Very low151 Ų151131.5 Ų131.581%0.80774%0.737SS**  179.6142.4111.2-83.8-9.8000109.3
873G23.9Very low25.2Very low68 Ų68132.7 Ų132.770%0.70174%0.736SS**  trans-107.2166.416400000110.1
874F25.7Very low25.4Very low213 Ų213136.2 Ų136.293%0.93473%0.734SS**  trans-140.4156.6152.5-111.6-84.1000109.2
875N27.8Very low25.6Very low153 Ų153136.5 Ų136.582%0.81873%0.733SS**  trans-140165.3178.7-167.87.2000107.8
876A24.2Very low25.8Very low94 Ų94133.6 Ų133.678%0.77773%0.734SS**  trans66.7148.9-14900000111.7
877G24.1Very low26Very low62 Ų62133 Ų13364%0.63974%0.739SS**  cis138171.67.500000109.4
878D27.4Very low26.1Very low152 Ų152136.9 Ų136.981%0.81375%0.746SS**  trans69.3144177.5-60.8-10.9000115.8
879I27.8Very low26.6Very low129 Ų129135.8 Ų135.866%0.66275%0.746SS**  cis-164.7149.3-21.4-121163.2000108.5
880Q24.8Very low26.7Very low151 Ų151136.1 Ų136.171%0.70675%0.753SS**  trans55.6170.1167.1-96.969-20.200117.8
881D25.8Very low27.2Very low136 Ų136132.1 Ų132.173%0.72775%0.751SS**  cis-154.8159.92.6-115.5-24.7000106.6
882C26.3Very low28Very low89 Ų89133.4 Ų133.460%0.60176%0.76SS**  cis-167.4146.5-12.1-143.30000109
883L27.9Very low28.2Very low142 Ų142134.4 Ų134.474%0.74376%0.76SS**  trans62.8153.4158.8-51.3166.1000117.1
884E26Very low28.4Very low141 Ų141135.6 Ų135.666%0.65975%0.754SS**  cis-165.9168-7.4-112.6173.2-173.400106.1
885F28Very low28.6Very low171 Ų171136.1 Ų136.175%0.7575%0.75SS**  cis-159.9157.13.1-134.1-46.2000109.7
886A29Very low28.6Very low83 Ų83136.5 Ų136.569%0.68675%0.751SS**  trans71.5101.9141.600000122.3
887D27.2Very low28.6Very low158 Ų158135.2 Ų135.285%0.84575%0.746SS**  trans-70.1-173.1140.5-45.3-86.1000110.7
888E30.7Very low29.6Very low183 Ų183138.5 Ų138.586%0.85576%0.756SS**  cis-156.4177.811.6-150.6-161.5152.300111
889D36.3Very low29.6Very low149 Ų149138.2 Ų138.280%0.79776%0.755SS**  trans-68.8170.3171.3-86.4-63.8000114.7
890S26.3Very low29.8Very low122 Ų122140.4 Ų140.485%0.85376%0.76SS**  trans-158.3138.9165.4-81.30000115.1
891V33.8Very low30Very low132 Ų132139.3 Ų139.380%0.876%0.763SS**  trans-99.2148.7179.5-1750000111.4
892P40.8Very low30.2Very low122 Ų122142.5 Ų142.579%0.79277%0.771SS**  trans-112.5146167.936.8-28.4000114.9
893H27.4Very low30.4Very low173 Ų173142.3 Ų142.380%0.80178%0.784SS**  trans-125.1131.1179.2-103.4-66.1000112.9
894T29.7Very low30.4Very low93 Ų93146.9 Ų146.957%0.57179%0.791SS**  trans48.7130.1138.6-26.50000122.5
895W28.6Very low30.9Very low224 Ų224148.2 Ų148.285%0.84880%0.803SS**  156.1150120-79.6107.7000115.1
896L29.3Very low30.8Very low161 Ų161145.8 Ų145.884%0.84381%0.807SS**  trans-30.1155.3-178.2-59.4156.9000118.7
897G24Very low30.7Very low66 Ų66145.9 Ų145.968%0.6882%0.816SS**  cis161.1-160.68.900000108.9
898P44.6Very low30.7Very low131 Ų131143.8 Ų143.885%0.85181%0.814SS**  cis-140-149.4-19.744.4-23.6000113.8
899D27.7Very low30.9Very low146 Ų146140.1 Ų140.178%0.78181%0.806SS**  trans76.7170164.9-139.6-2.5000121.3
900K32.1Very low30.7Very low175 Ų175141 Ų14176%0.76181%0.809SS**  trans-112.3146.8-150-56.5151.7-174.2160.20115.4
901T29Very low30.9Very low128 Ų128145.4 Ų145.479%0.78581%0.809SS**  162.1154108.141.60000114
902K29.7Very low30.7Very low204 Ų204144.4 Ų144.489%0.88781%0.806SS**  trans45.9108.1158.8-69.8179.9178.51770118.6
903G30.5Very low30.6Very low84 Ų84145.3 Ų145.387%0.86680%0.798SS**  trans-79.3166.9171.700000115.4
904R27.7Very low31.5Very low239 Ų239143.3 Ų143.390%0.90279%0.789SS**  trans-154.2151.8166-165.2174.5-173.4179.51.5108.7S906R904-S906 PolarHBondContact O-N 3.39Å
905N35.8Very low32.8Very low169 Ų169144.7 Ų144.790%0.90479%0.789SS**  trans-61.9126.7174.5-75.31.3000111.4
906S27.5Very low34.8Very low120 Ų120141 Ų14184%0.83978%0.775SS**  trans-153.192.3164.657.60000110.1R904R904-S906 PolarHBondContact O-N 3.39Å
907G26.6Very low37.3Very low85 Ų85141.9 Ų141.988%0.87677%0.767SS**  trans-101.5126.1171.700000111.1
908S27.1Very low40.3Very low114 Ų114139.1 Ų139.180%0.79774%0.738SS**  trans-175.2151.1164-163.90000109.1
909P35.3Very low42.3Very low106 Ų106139 Ų13969%0.68872%0.723SS**  cis-113.8125.7-5.831.2-15.3000112.8
910L30.7Very low45Very low166 Ų166136.3 Ų136.387%0.86970%0.702SS**  trans-69.6145.3146.5-72.4167.8000107.9C912L910-C912 PolarHBondContact O-N 3.44Å
911Y32.1Very low47.2Very low216 Ų216136.1 Ų136.185%0.84770%0.704SS**  trans-69.477.8172.1-97.5-95.5000110.7F913Y911-F913 PolarHBondContact O-N 3.24Å
912C27.6Very low49.5Very low110 Ų110138.3 Ų138.374%0.74371%0.711SS**  trans-75.491.1178.1-174.10000110.1L910 Q914L910-C912 PolarHBondContact O-N 3.44Å; C912-Q914 PolarHBondContact O-N 2.93Å
913F39.4Very low52Low142 Ų142129.8 Ų129.862%0.62368%0.677SS**  trans-58.8105.4170.4-79-87.8000110.1Y911 Q915Y911-F913 PolarHBondContact O-N 3.24Å; F913-Q915 VanDerWaalsContact C-N 3.26Å; F913-Q915 PolarHBondContact O-N 2.85Å
914Q46.6Very low54.6Low131 Ų131129.7 Ų129.761%0.61266%0.663SS**  trans-67.584.3170.3-73.3-168.3-0.500110.1C912 R916C912-Q914 PolarHBondContact O-N 2.93Å; Q914-R916 PolarHBondContact O-N 2.69Å; Q914-R916 VanDerWaalsContact O-N 3.12Å
915Q56.2Low57.3Low121 Ų121124.9 Ų124.957%0.56565%0.649SS**  trans-64.6110.8169.7-64.3-171.11400109F913 Y926F913-Q915 VanDerWaalsContact C-N 3.26Å; F913-Q915 PolarHBondContact O-N 2.85Å; Q915-Y926 HydrophobicContact CB-CD1 4.12Å
916R70.6Confident59.9Low146 Ų146122.8 Ų122.855%0.55163%0.629SS**EExtended strand (participates in β ladder)trans-91.5152176.7-65.5-176.4177.2-137.2-6.3109Q914 Y926 G927Q914-R916 PolarHBondContact O-N 2.69Å; Q914-R916 VanDerWaalsContact O-N 3.12Å; R916-Y926 CarbonylContact O-C 3.54Å; R916-Y926 WeakPolarHBondContact O-CA 3.41Å; R916-G927 PolarHBondContact O-N 3.45Å
917R82.4Confident62.6Low180 Ų180117.1 Ų117.168%0.67959%0.59SS**EExtended strand (participates in β ladder)trans-58146.5170.7-85.9-172.5172.5174.7-1.5109.6K919 Y926R917-K919 PolarHBondContact O-N 3.08Å; R917-Y926 HydrophobicContact CG-CD1 4.44Å; R917-Y926 HydrophobicContact CG-CE1 4.08Å
918C87.8Confident65.2Low9 Ų9120.7 Ų120.76%0.06158%0.577CS.*PPolyproline II helixtrans-52.9129.7178.5172.90000110.5R920 C923 F925 N933 C935C918-R920 PolarHBondContact O-N 3.08Å; C918-C923 HydrophobicContact CB-CB 3.82Å; C918-C923 VanDerWaalsContact CB-SG 3.57Å; C918-F925 WeakPolarHBondContact CB-O 3.32Å; C918-F925 PolarHBondContact N-O 3Å; C918-N933 CarbonylContact C-O 3.55Å; C918-N933 WeakPolarHBondContact CA-O 3.26Å; C918-C935 HydrophobicContact CB-CB 4.13Å; C918-C935 PolarHBondContact SG-N 2.88Å
919K86Confident67.8Low127 Ų127119 Ų11955%0.55256%0.563SS**SBendtrans-60-14.2-178.3-177.7174.1175.8-178.40114.7R917 D932 N933 Y934R917-K919 PolarHBondContact O-N 3.08Å; K919-D932 WeakPolarHBondContact CD-O 3.4Å; K919-N933 PolarHBondContact N-O 3.29Å; K919-Y934 HydrophobicContact CB-CD1 3.86Å; K919-Y934 HydrophobicContact CB-CE1 3.72Å; K919-Y934 HydrophobicContact CB-CG 4.32Å; K919-Y934 HydrophobicContact CD-CE1 4.4Å; K919-Y934 HydrophobicContact CD-CE2 4.08Å; K919-Y934 HydrophobicContact CG-CE1 4Å
920R85.1Confident70Confident90 Ų90119.7 Ų119.734%0.3456%0.557SS.*SBendtrans-80.3127.8171.4-175.7-175.8-73-175-6.7110.7C918 C923 Y934 C938 E941C918-R920 PolarHBondContact O-N 3.08Å; R920-C923 HydrophobicContact CB-CB 4.25Å; R920-C923 WeakPolarHBondContact O-CB 3.36Å; R920-C923 PolarHBondContact O-N 3.37Å; R920-Y934 HydrophobicContact CB-CD1 4.18Å; R920-Y934 HydrophobicContact CB-CE1 4.14Å; R920-C938 HydrophobicContact CB-CB 4.38Å; R920-E941 IonicContact CZ-OE2 3.59Å; R920-E941 IonicContact NH1-OE2 3.19Å; R920-E941 PolarHBondContact NH1-OE2 2.9Å; R920-E941 IonicContact NH2-OE2 2.74Å; R920-E941 PolarHBondContact NH2-OE2 3.43Å
921E77.9Confident72.6Confident172 Ų172113.2 Ų113.280%0.80453%0.525SS*.THydrogen-bonded Turntrans-53.2145.2173.5-60.4-175.9171.200112.5C923E921-C923 PolarHBondContact O-N 3.49Å
922N77.6Confident75.1Confident174 Ų174106 Ų10693%0.9350%0.5SS*.THydrogen-bonded Turntrans588.5-175.1-58.1-33.5000116.3
923C82.3Confident78Confident24 Ų24103 Ų10316%0.16248%0.477CS..  trans-83.7118.2170.7-168.50000111C918 R920 E921 F925 C935C918-C923 HydrophobicContact CB-CB 3.82Å; C918-C923 VanDerWaalsContact CB-SG 3.57Å; R920-C923 HydrophobicContact CB-CB 4.25Å; R920-C923 WeakPolarHBondContact O-CB 3.36Å; R920-C923 PolarHBondContact O-N 3.37Å; E921-C923 PolarHBondContact O-N 3.49Å; C923-F925 VanDerWaalsContact C-N 3.33Å; C923-C935 VanDerWaalsContact SG-SG 3.69Å
924S84.6Confident80.3Confident83 Ų8397.7 Ų97.758%0.5845%0.453SS*.  trans-76.8-17179.251.80000114.3
925F84.6Confident82.4Confident137 Ų13791.9 Ų91.960%0.60143%0.427SS*.SBendtrans-77.8165.2-177.3-60.8-80.5000112.7C918 C923 C935C918-F925 WeakPolarHBondContact CB-O 3.32Å; C918-F925 PolarHBondContact N-O 3Å; C923-F925 VanDerWaalsContact C-N 3.33Å; F925-C935 HydrophobicContact CB-CB 3.7Å
926Y89.1Confident83.8Confident126 Ų12690.6 Ų90.649%0.49443%0.431SS..EExtended strand (participates in β ladder)trans-98.1148.1177.4-65.6-99000111.1Q915 R916 R917 C935Q915-Y926 HydrophobicContact CB-CD1 4.12Å; R916-Y926 CarbonylContact O-C 3.54Å; R916-Y926 WeakPolarHBondContact O-CA 3.41Å; R917-Y926 HydrophobicContact CG-CD1 4.44Å; R917-Y926 HydrophobicContact CG-CE1 4.08Å; Y926-C935 WeakPolarHBondContact O-CA 3.17Å; Y926-C935 VanDerWaalsContact O-CB 3.23Å; Y926-C935 WeakPolarHBondContact O-CB 3.35Å
927G84.9Confident84.5Confident1 Ų190.9 Ų90.91%0.0143%0.434CS..EExtended strand (participates in β ladder)trans-115.6160.5174.900000111.9R916 Y934R916-G927 PolarHBondContact O-N 3.45Å; G927-Y934 VanDerWaalsContact CA-C 3.43Å; G927-Y934 WeakPolarHBondContact CA-O 3.29Å
928R82.4Confident84.8Confident159 Ų15982.5 Ų82.560%0.640%0.403SS*.  trans-114155.7178.2-48.8-174.2177-174.3-0.7111.8E930 T931 N933R928-E930 WeakPolarHBondContact CB-OE2 3.42Å; R928-E930 PolarHBondContact O-N 2.81Å; R928-T931 PolarHBondContact N-OG1 3.48Å; R928-T931 CarbonylContact O-C 3.55Å; R928-T931 PolarHBondContact O-N 3.32Å; R928-T931 PolarHBondContact O-OG1 2.73Å; R928-N933 VanDerWaalsContact O-CA 3.3Å; R928-N933 WeakPolarHBondContact O-CA 3.5Å; R928-N933 PolarHBondContact O-N 2.68Å
929P81.4Confident85.1Confident79 Ų7985.3 Ų85.351%0.51341%0.412SS..G310 helixtrans-55.2-37.2180-26.636.4000113.8T931 D932P929-T931 PolarHBondContact O-N 2.65Å; P929-T931 VanDerWaalsContact O-N 3.09Å; P929-D932 PolarHBondContact O-N 3.08Å
930E81.8Confident85.2Confident121 Ų12187.4 Ų87.457%0.56542%0.417SS*.G310 helixtrans-68.6-8.2180-4574.6-159.400112.8R928R928-E930 WeakPolarHBondContact CB-OE2 3.42Å; R928-E930 PolarHBondContact O-N 2.81Å
931T84.9Confident85.4Confident30 Ų3086.4 Ų86.418%0.18442%0.416CS..G310 helixtrans-121.429.2-179.347.40000112.1R928 P929 N933 Y934 Y939R928-T931 PolarHBondContact N-OG1 3.48Å; R928-T931 CarbonylContact O-C 3.55Å; R928-T931 PolarHBondContact O-N 3.32Å; R928-T931 PolarHBondContact O-OG1 2.73Å; P929-T931 PolarHBondContact O-N 2.65Å; P929-T931 VanDerWaalsContact O-N 3.09Å; T931-N933 PolarHBondContact O-N 2.95Å; T931-N933 VanDerWaalsContact O-N 3.07Å; T931-Y934 WeakPolarHBondContact O-CB 3.41Å; T931-Y934 PolarHBondContact O-N 3.5Å; T931-Y934 PolarHBondContact OG1-O 2.86Å; T931-Y939 HydrophobicContact CG2-CD1 4.01Å; T931-Y939 HydrophobicContact CG2-CE1 4.29Å; T931-Y939 HydrophobicContact CG2-CG 4.17Å; T931-Y939 VanDerWaalsContact O-CD2 3.29Å; T931-Y939 WeakPolarHBondContact O-CD2 3.39Å
932D84.7Confident85.8Confident63 Ų6379 Ų7934%0.33738%0.381SS..THydrogen-bonded Turntrans59.418.3-176.9-106.2-15.4000113.6K919 P929 Y934 Y939 R946K919-D932 WeakPolarHBondContact CD-O 3.4Å; P929-D932 PolarHBondContact O-N 3.08Å; D932-Y934 VanDerWaalsContact C-N 3.29Å; D932-Y934 HydrophobicContact CB-CD2 3.71Å; D932-Y934 HydrophobicContact CB-CE2 3.94Å; D932-Y939 HydrophobicContact CB-CE2 4.45Å; D932-R946 IonicContact OD2-CZ 2.62Å; D932-R946 IonicContact OD2-NH1 3.87Å; D932-R946 PolarHBondContact OD2-NH1 2.97Å; D932-R946 IonicContact OD2-NH2 3.02Å; D932-R946 PolarHBondContact OD2-NH2 3.28Å
933N88Confident86.2Confident48 Ų4874.4 Ų74.426%0.25736%0.356SS..THydrogen-bonded Turntrans6223.6-165.9-56.8-95.7000115C918 K919 R928 T931C918-N933 CarbonylContact C-O 3.55Å; C918-N933 WeakPolarHBondContact CA-O 3.26Å; K919-N933 PolarHBondContact N-O 3.29Å; R928-N933 VanDerWaalsContact O-CA 3.3Å; R928-N933 WeakPolarHBondContact O-CA 3.5Å; R928-N933 PolarHBondContact O-N 2.68Å; T931-N933 PolarHBondContact O-N 2.95Å; T931-N933 VanDerWaalsContact O-N 3.07Å
934Y87.9Confident86.4Confident31 Ų3178.8 Ų78.812%0.12237%0.372CS..  trans-86.1154.1163-66-75.4000111.2K919 R920 G927 T931 D932 C938 Y939 E942K919-Y934 HydrophobicContact CB-CD1 3.86Å; K919-Y934 HydrophobicContact CB-CE1 3.72Å; K919-Y934 HydrophobicContact CB-CG 4.32Å; K919-Y934 HydrophobicContact CD-CE1 4.4Å; K919-Y934 HydrophobicContact CD-CE2 4.08Å; K919-Y934 HydrophobicContact CG-CE1 4Å; R920-Y934 HydrophobicContact CB-CD1 4.18Å; R920-Y934 HydrophobicContact CB-CE1 4.14Å; G927-Y934 VanDerWaalsContact CA-C 3.43Å; G927-Y934 WeakPolarHBondContact CA-O 3.29Å; T931-Y934 WeakPolarHBondContact O-CB 3.41Å; T931-Y934 PolarHBondContact O-N 3.5Å; T931-Y934 PolarHBondContact OG1-O 2.86Å; D932-Y934 VanDerWaalsContact C-N 3.29Å; D932-Y934 HydrophobicContact CB-CD2 3.71Å; D932-Y934 HydrophobicContact CB-CE2 3.94Å; Y934-C938 HydrophobicContact CD1-CB 4.05Å; Y934-C938 HydrophobicContact CG-CB 4.47Å; Y934-Y939 HydrophobicContact CD2-CD2 4.34Å; Y934-E942 HydrophobicContact CD2-CG 4.5Å; Y934-E942 HydrophobicContact CE2-CG 4.01Å
935C90.5Very high86.3Confident8 Ų879.9 Ų79.95%0.05436%0.364CS..  trans-70.3159.6164.672.70000110.3C918 C923 F925 Y926 Y937 C938 Y939C918-C935 HydrophobicContact CB-CB 4.13Å; C918-C935 PolarHBondContact SG-N 2.88Å; C923-C935 VanDerWaalsContact SG-SG 3.69Å; F925-C935 HydrophobicContact CB-CB 3.7Å; Y926-C935 WeakPolarHBondContact O-CA 3.17Å; Y926-C935 VanDerWaalsContact O-CB 3.23Å; Y926-C935 WeakPolarHBondContact O-CB 3.35Å; C935-Y937 PolarHBondContact O-N 3.19Å; C935-Y937 VanDerWaalsContact O-N 3.08Å; C935-C938 PolarHBondContact O-N 3.27Å; C935-Y939 WeakPolarHBondContact O-CB 3.46Å; C935-Y939 PolarHBondContact O-N 3.42Å
936S84.7Confident86.2Confident95 Ų9578.2 Ų78.266%0.66435%0.354SS*.Hα-helixtrans-53.7-32.5-176.3530000114.4R940S936-R940 PolarHBondContact O-N 2.95Å
937Y85.5Confident85.8Confident152 Ų15277.6 Ų77.660%0.59636%0.355SS*.Hα-helixtrans-70.4-54.1173.3-176.2-86.2000112.1C935 Y939 R940 E941C935-Y937 PolarHBondContact O-N 3.19Å; C935-Y937 VanDerWaalsContact O-N 3.08Å; Y937-Y939 VanDerWaalsContact C-N 3.3Å; Y937-Y939 PolarHBondContact O-N 3.25Å; Y937-R940 WeakPolarHBondContact O-CB 3.28Å; Y937-R940 PolarHBondContact O-N 3.33Å; Y937-R940 VanDerWaalsContact O-N 3.15Å; Y937-E941 HydrophobicContact CE1-CG 4.23Å; Y937-E941 WeakPolarHBondContact CE1-OE1 3.49Å; Y937-E941 VanDerWaalsContact CZ-OE1 3.23Å; Y937-E941 PolarHBondContact O-N 3.44Å; Y937-E941 PolarHBondContact OH-OE1 2.95Å
938C89.8Confident85.4Confident4 Ų486.4 Ų86.43%0.02739%0.388CS..Hα-helixtrans-65.2-33.7-178-68.60000112.3R920 Y934 C935 R940 E941 E942R920-C938 HydrophobicContact CB-CB 4.38Å; Y934-C938 HydrophobicContact CD1-CB 4.05Å; Y934-C938 HydrophobicContact CG-CB 4.47Å; C935-C938 PolarHBondContact O-N 3.27Å; C938-R940 VanDerWaalsContact C-N 3.35Å; C938-E941 PolarHBondContact O-N 2.64Å; C938-E942 WeakPolarHBondContact O-CB 3.46Å; C938-E942 PolarHBondContact O-N 2.97Å
939Y92.6Very high84.8Confident67 Ų6782.9 Ų82.926%0.26338%0.379SS..Hα-helixtrans-62.7-40.8174.2-171.4-114.1000111.7T931 D932 Y934 C935 Y937 E941 E942 L943T931-Y939 HydrophobicContact CG2-CD1 4.01Å; T931-Y939 HydrophobicContact CG2-CE1 4.29Å; T931-Y939 HydrophobicContact CG2-CG 4.17Å; T931-Y939 VanDerWaalsContact O-CD2 3.29Å; T931-Y939 WeakPolarHBondContact O-CD2 3.39Å; D932-Y939 HydrophobicContact CB-CE2 4.45Å; Y934-Y939 HydrophobicContact CD2-CD2 4.34Å; C935-Y939 WeakPolarHBondContact O-CB 3.46Å; C935-Y939 PolarHBondContact O-N 3.42Å; Y937-Y939 VanDerWaalsContact C-N 3.3Å; Y937-Y939 PolarHBondContact O-N 3.25Å; Y939-E941 VanDerWaalsContact C-N 3.34Å; Y939-E941 PolarHBondContact O-N 3.1Å; Y939-E942 PolarHBondContact O-N 3.2Å; Y939-L943 HydrophobicContact CD1-CD1 4Å; Y939-L943 HydrophobicContact CE1-CD1 3.71Å; Y939-L943 HydrophobicContact CE1-CG 4.33Å; Y939-L943 WeakPolarHBondContact O-CG 3.42Å; Y939-L943 PolarHBondContact O-N 2.93Å
940R89.3Confident84Confident172 Ų17282.7 Ų82.765%0.64938%0.379SS*.Hα-helixtrans-67.5-31.7177.9-167.2-178.9-64.4-172.4-1.6112.8S936 Y937 C938 K944S936-R940 PolarHBondContact O-N 2.95Å; Y937-R940 WeakPolarHBondContact O-CB 3.28Å; Y937-R940 PolarHBondContact O-N 3.33Å; Y937-R940 VanDerWaalsContact O-N 3.15Å; C938-R940 VanDerWaalsContact C-N 3.35Å; R940-K944 WeakPolarHBondContact O-CG 3.25Å; R940-K944 PolarHBondContact O-N 3.39Å
941E88.4Confident83.1Confident69 Ų6984.8 Ų84.832%0.32239%0.386SS..Hα-helixtrans-76.2-38.5170.9-74.9-171.5-179.600112.9R920 Y937 C938 Y939 L943 K944 R945R920-E941 IonicContact CZ-OE2 3.59Å; R920-E941 IonicContact NH1-OE2 3.19Å; R920-E941 PolarHBondContact NH1-OE2 2.9Å; R920-E941 IonicContact NH2-OE2 2.74Å; R920-E941 PolarHBondContact NH2-OE2 3.43Å; Y937-E941 HydrophobicContact CE1-CG 4.23Å; Y937-E941 WeakPolarHBondContact CE1-OE1 3.49Å; Y937-E941 VanDerWaalsContact CZ-OE1 3.23Å; Y937-E941 PolarHBondContact O-N 3.44Å; Y937-E941 PolarHBondContact OH-OE1 2.95Å; C938-E941 PolarHBondContact O-N 2.64Å; Y939-E941 VanDerWaalsContact C-N 3.34Å; Y939-E941 PolarHBondContact O-N 3.1Å; E941-L943 VanDerWaalsContact C-N 3.35Å; E941-L943 PolarHBondContact O-N 2.91Å; E941-K944 CarbonylContact O-C 3.55Å; E941-K944 PolarHBondContact O-N 2.92Å; E941-R945 PolarHBondContact O-N 2.92Å
942E87.3Confident81.8Confident17 Ų1789.2 Ų89.28%0.07941%0.413CS..Hα-helixtrans-62.2-40.3176.1171.561.5-177.300111.7Y934 C938 Y939 R945 R946Y934-E942 HydrophobicContact CD2-CG 4.5Å; Y934-E942 HydrophobicContact CE2-CG 4.01Å; C938-E942 WeakPolarHBondContact O-CB 3.46Å; C938-E942 PolarHBondContact O-N 2.97Å; Y939-E942 PolarHBondContact O-N 3.2Å; E942-R945 VanDerWaalsContact CD-NH2 3.31Å; E942-R945 WeakPolarHBondContact O-CB 3.42Å; E942-R945 PolarHBondContact O-N 3.47Å; E942-R945 IonicContact OE1-CZ 3.41Å; E942-R945 IonicContact OE1-NE 3.39Å; E942-R945 IonicContact OE1-NH2 3.95Å; E942-R945 PolarHBondContact OE1-NH2 3.43Å; E942-R945 IonicContact OE2-CZ 2.72Å; E942-R945 IonicContact OE2-NE 3.53Å; E942-R945 PolarHBondContact OE2-NE 3.24Å; E942-R945 IonicContact OE2-NH2 2.73Å; E942-R945 PolarHBondContact OE2-NH2 3.19Å; E942-R946 WeakPolarHBondContact O-CG 3.32Å; E942-R946 PolarHBondContact O-N 3.45Å; E942-R946 IonicContact OE1-CZ 3.62Å; E942-R946 VanDerWaalsContact OE1-CZ 3.29Å; E942-R946 IonicContact OE1-NE 3.64Å; E942-R946 PolarHBondContact OE1-NE 3.05Å; E942-R946 IonicContact OE1-NH2 3.84Å; E942-R946 PolarHBondContact OE1-NH2 3.3Å
943L86.2Confident80.3Confident76 Ų7693.8 Ų93.840%0.39843%0.432SS..Hα-helixtrans-58.5-49.3170.4-73.9170.3000111.5Y939 E941 R945 R946 E947Y939-L943 HydrophobicContact CD1-CD1 4Å; Y939-L943 HydrophobicContact CE1-CD1 3.71Å; Y939-L943 HydrophobicContact CE1-CG 4.33Å; Y939-L943 WeakPolarHBondContact O-CG 3.42Å; Y939-L943 PolarHBondContact O-N 2.93Å; E941-L943 VanDerWaalsContact C-N 3.35Å; E941-L943 PolarHBondContact O-N 2.91Å; L943-R945 PolarHBondContact O-N 3.06Å; L943-R946 PolarHBondContact O-N 3.01Å; L943-R946 VanDerWaalsContact O-N 3.15Å; L943-E947 WeakPolarHBondContact O-CG 3.43Å; L943-E947 PolarHBondContact O-N 3.06Å
944K85.8Confident78.2Confident116 Ų116102 Ų10250%0.50446%0.46SS..Hα-helixtrans-62.5-24.4176.6-73176.9177.6-174.60113.6R940 E941 R948R940-K944 WeakPolarHBondContact O-CG 3.25Å; R940-K944 PolarHBondContact O-N 3.39Å; E941-K944 CarbonylContact O-C 3.55Å; E941-K944 PolarHBondContact O-N 2.92Å; K944-R948 VanDerWaalsContact O-CD 3.32Å; K944-R948 WeakPolarHBondContact O-CD 3.4Å; K944-R948 VanDerWaalsContact O-CG 3.26Å; K944-R948 WeakPolarHBondContact O-CG 3.46Å
945R82.9Confident76.5Confident106 Ų106106.7 Ų106.740%0.449%0.494SS..Hα-helixtrans-73.9-51.1171.6-171.6-173.667.680.18110.5E941 E942 L943 E947 R948 E949E941-R945 PolarHBondContact O-N 2.92Å; E942-R945 VanDerWaalsContact CD-NH2 3.31Å; E942-R945 WeakPolarHBondContact O-CB 3.42Å; E942-R945 PolarHBondContact O-N 3.47Å; E942-R945 IonicContact OE1-CZ 3.41Å; E942-R945 IonicContact OE1-NE 3.39Å; E942-R945 IonicContact OE1-NH2 3.95Å; E942-R945 PolarHBondContact OE1-NH2 3.43Å; E942-R945 IonicContact OE2-CZ 2.72Å; E942-R945 IonicContact OE2-NE 3.53Å; E942-R945 PolarHBondContact OE2-NE 3.24Å; E942-R945 IonicContact OE2-NH2 2.73Å; E942-R945 PolarHBondContact OE2-NH2 3.19Å; L943-R945 PolarHBondContact O-N 3.06Å; R945-E947 VanDerWaalsContact C-N 3.29Å; R945-E947 PolarHBondContact O-N 3.06Å; R945-R948 WeakPolarHBondContact O-CB 3.44Å; R945-R948 PolarHBondContact O-N 2.89Å; R945-E949 VanDerWaalsContact CG-OE1 3.27Å; R945-E949 WeakPolarHBondContact CG-OE1 3.15Å; R945-E949 IonicContact CZ-OE1 2.85Å; R945-E949 IonicContact CZ-OE2 3.48Å; R945-E949 IonicContact NH1-OE1 3.19Å; R945-E949 PolarHBondContact NH1-OE1 3.05Å; R945-E949 IonicContact NH1-OE2 3.45Å; R945-E949 PolarHBondContact NH1-OE2 3.41Å; R945-E949 PolarHBondContact O-N 3.29Å; R945-E949 VanDerWaalsContact O-N 3.07Å
946R83Confident74.3Confident103 Ų103116.7 Ų116.739%0.38955%0.554SS.*Hα-helixtrans-58-38.8176.8-66.6-179.9-168.8-178.58.6112.1D932 E942 L943 R948 E949 S950D932-R946 IonicContact OD2-CZ 2.62Å; D932-R946 IonicContact OD2-NH1 3.87Å; D932-R946 PolarHBondContact OD2-NH1 2.97Å; D932-R946 IonicContact OD2-NH2 3.02Å; D932-R946 PolarHBondContact OD2-NH2 3.28Å; E942-R946 WeakPolarHBondContact O-CG 3.32Å; E942-R946 PolarHBondContact O-N 3.45Å; E942-R946 IonicContact OE1-CZ 3.62Å; E942-R946 VanDerWaalsContact OE1-CZ 3.29Å; E942-R946 IonicContact OE1-NE 3.64Å; E942-R946 PolarHBondContact OE1-NE 3.05Å; E942-R946 IonicContact OE1-NH2 3.84Å; E942-R946 PolarHBondContact OE1-NH2 3.3Å; L943-R946 PolarHBondContact O-N 3.01Å; L943-R946 VanDerWaalsContact O-N 3.15Å; R946-R948 VanDerWaalsContact C-N 3.27Å; R946-R948 PolarHBondContact O-N 2.78Å; R946-E949 PolarHBondContact O-N 2.65Å; R946-S950 WeakPolarHBondContact O-CB 3.44Å; R946-S950 PolarHBondContact O-N 3.13Å; R946-S950 PolarHBondContact O-OG 3.22Å; R946-S950 VanDerWaalsContact O-OG 3.14Å
947E79.1Confident73.8Confident112 Ų112117.8 Ų117.852%0.52355%0.549SS..Hα-helixtrans-66.2-19.9174.3-75.7-170.8129.700115.4L943 R945 S950 K951L943-E947 WeakPolarHBondContact O-CG 3.43Å; L943-E947 PolarHBondContact O-N 3.06Å; R945-E947 VanDerWaalsContact C-N 3.29Å; R945-E947 PolarHBondContact O-N 3.06Å; E947-S950 PolarHBondContact O-OG 3.33Å; E947-K951 VanDerWaalsContact O-CD 3.31Å; E947-K951 WeakPolarHBondContact O-CD 3.36Å; E947-K951 WeakPolarHBondContact O-CE 3.47Å; E947-K951 WeakPolarHBondContact O-CG 3.1Å
948R76.8Confident73.2Confident187 Ų187116 Ų11671%0.70655%0.546SS*.Hα-helixtrans-88.9-42.3175.5-71.6168.1-179.6-170.8-2.4110.4K944 R945 R946 K951 V952K944-R948 VanDerWaalsContact O-CD 3.32Å; K944-R948 WeakPolarHBondContact O-CD 3.4Å; K944-R948 VanDerWaalsContact O-CG 3.26Å; K944-R948 WeakPolarHBondContact O-CG 3.46Å; R945-R948 WeakPolarHBondContact O-CB 3.44Å; R945-R948 PolarHBondContact O-N 2.89Å; R946-R948 VanDerWaalsContact C-N 3.27Å; R946-R948 PolarHBondContact O-N 2.78Å; R948-K951 PolarHBondContact O-N 3.17Å; R948-V952 PolarHBondContact O-N 3.47Å
949E71.3Confident72.3Confident85 Ų85122.2 Ų122.240%0.39758%0.575SS.*Hα-helixtrans-66.5-39.8178.4-72.1164.4-165.600111.8R945 R946 K951 V952 Q953R945-E949 VanDerWaalsContact CG-OE1 3.27Å; R945-E949 WeakPolarHBondContact CG-OE1 3.15Å; R945-E949 IonicContact CZ-OE1 2.85Å; R945-E949 IonicContact CZ-OE2 3.48Å; R945-E949 IonicContact NH1-OE1 3.19Å; R945-E949 PolarHBondContact NH1-OE1 3.05Å; R945-E949 IonicContact NH1-OE2 3.45Å; R945-E949 PolarHBondContact NH1-OE2 3.41Å; R945-E949 PolarHBondContact O-N 3.29Å; R945-E949 VanDerWaalsContact O-N 3.07Å; R946-E949 PolarHBondContact O-N 2.65Å; E949-K951 PolarHBondContact O-N 2.65Å; E949-K951 VanDerWaalsContact O-N 3.13Å; E949-V952 PolarHBondContact O-N 3Å; E949-Q953 PolarHBondContact O-N 3.18Å
950S64.1Low71.1Confident74 Ų74125.5 Ų125.552%0.51759%0.593SS.*Hα-helixtrans-64.7-14.6174.366.60000114.6R946 E947R946-S950 WeakPolarHBondContact O-CB 3.44Å; R946-S950 PolarHBondContact O-N 3.13Å; R946-S950 PolarHBondContact O-OG 3.22Å; R946-S950 VanDerWaalsContact O-OG 3.14Å; E947-S950 PolarHBondContact O-OG 3.33Å
951K61.6Low69.9Low166 Ų166122.6 Ų122.672%0.72259%0.59SS**Hα-helixtrans-91.8-14.2172.7-68.7174.5-175.5171.70113.4E947 R948 E949E947-K951 VanDerWaalsContact O-CD 3.31Å; E947-K951 WeakPolarHBondContact O-CD 3.36Å; E947-K951 WeakPolarHBondContact O-CE 3.47Å; E947-K951 WeakPolarHBondContact O-CG 3.1Å; R948-K951 PolarHBondContact O-N 3.17Å; E949-K951 PolarHBondContact O-N 2.65Å; E949-K951 VanDerWaalsContact O-N 3.13Å
952V58.8Low68.7Low122 Ų122126.1 Ų126.174%0.73961%0.608SS**Hα-helixtrans-91.9-27.2175.4177.50000111.2R948 E949 R954R948-V952 PolarHBondContact O-N 3.47Å; E949-V952 PolarHBondContact O-N 3Å; V952-R954 PolarHBondContact O-N 2.83Å
953Q53.8Low67.4Low160 Ų160133.9 Ų133.975%0.74865%0.645SS**  trans-97.462-179.5-71.5173.8-37.100113.1E949E949-Q953 PolarHBondContact O-N 3.18Å
954R43.9Very low65.9Low221 Ų221138.4 Ų138.483%0.83466%0.664SS**  trans-116.8117.5152.4-77.3-171.8176.4-173.6-1.6108.6V952V952-R954 PolarHBondContact O-N 2.83Å
955P50.9Low64.3Low129 Ų129140.3 Ų140.384%0.83868%0.678SS**  trans-60.4157.9164.1-18.932.5000111
956V45.1Very low62.6Low218 Ų218143.4 Ų143.4100%1.32170%0.703SS**  trans-82.70167.3-178.90000109.2

Retrieved 956 of 956 residues in 688.4 ms (Link to these results)

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