A0A087XDE3_POEFO Loading...

Transcription elongation factor A N-terminal and central domain containing

AlphaFold DB , UniProt , Accession A0A087XDE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1S35.4Very low66.4Low177 Ų17793.2 Ų93.2100%1.23853%0.528SS*.  0101.40-58.70000108.9D3S1-D3 PolarHBondContact O-N 2.9Å
2T47.7Very low67.9Low122 Ų12294.3 Ų94.375%0.74853%0.525SS*.  trans-79.5112.1169.242.90000107A4T2-A4 PolarHBondContact O-N 3.09Å
3D48Very low69Low142 Ų14288.2 Ų88.276%0.75949%0.492SS*.  trans-67.796.4179.2-152.16000108.2S1S1-D3 PolarHBondContact O-N 2.9Å
4A59.8Low70.1Confident74 Ų7482.6 Ų82.661%0.61246%0.463SS*.PPolyproline II helixtrans-80.3120.4179.400000107.9T2 E6T2-A4 PolarHBondContact O-N 3.09Å; A4-E6 PolarHBondContact O-N 3.27Å
5M68.4Low71.1Confident7 Ų784.2 Ų84.23%0.03447%0.469CS..PPolyproline II helixtrans-60.6132.5-179.1-165.4170.2171.400110E9 V10 C13 L36 R39 V41 Q45M5-E9 VanDerWaalsContact CE-C 3.48Å; M5-E9 HydrophobicContact CE-CB 3.71Å; M5-E9 HydrophobicContact CG-CB 3.82Å; M5-E9 VanDerWaalsContact CG-OE2 3.32Å; M5-E9 WeakPolarHBondContact CG-OE2 3.21Å; M5-V10 HydrophobicContact CB-CG2 4.31Å; M5-V10 HydrophobicContact CE-CG2 4.07Å; M5-V10 HydrophobicContact CG-CG2 3.87Å; M5-V10 HydrophobicContact SD-CG2 3.89Å; M5-C13 HydrophobicContact CE-CB 4.23Å; M5-C13 WeakPolarHBondContact CE-SG 3.42Å; M5-L36 HydrophobicContact CE-CD2 4.05Å; M5-L36 HydrophobicContact SD-CD2 4.21Å; M5-R39 HydrophobicContact CB-CB 4.38Å; M5-R39 HydrophobicContact SD-CB 3.9Å; M5-V41 HydrophobicContact SD-CG2 4.45Å; M5-Q45 PolarHBondContact O-NE2 2.83Å
6E75.1Confident71.9Confident126 Ų12682.9 Ų82.959%0.58946%0.459SS*.PPolyproline II helixtrans-71.3146.6177.7-72.7-170.9175.800110.5A4 K8 E9 V10A4-E6 PolarHBondContact O-N 3.27Å; E6-K8 PolarHBondContact O-N 3.42Å; E6-E9 HydrophobicContact CB-CG 4.18Å; E6-E9 PolarHBondContact N-OE2 3.06Å; E6-E9 WeakPolarHBondContact O-CA 3.46Å; E6-E9 WeakPolarHBondContact O-CB 3.25Å; E6-E9 PolarHBondContact O-N 3.22Å; E6-V10 PolarHBondContact O-N 3.4Å
7T75.9Confident72.6Confident55 Ų5578.1 Ų78.134%0.33743%0.432SS..Hα-helixtrans-56.5-30.9-177.8-50.20000112.9E9 V10 I11 Q45 T49T7-E9 VanDerWaalsContact C-N 3.34Å; T7-V10 PolarHBondContact O-N 3.39Å; T7-I11 HydrophobicContact CG2-CD1 4.36Å; T7-I11 VanDerWaalsContact O-CG1 3.31Å; T7-I11 WeakPolarHBondContact O-CG1 3.34Å; T7-I11 PolarHBondContact O-N 3.4Å; T7-I11 VanDerWaalsContact O-N 3.11Å; T7-Q45 HydrophobicContact CG2-CG 4.49Å; T7-Q45 PolarHBondContact OG1-NE2 3.42Å; T7-T49 HydrophobicContact CG2-CG2 4.33Å
8K78.2Confident73.3Confident164 Ų16477.8 Ų77.871%0.71343%0.427SS*.Hα-helixtrans-65.5-36.5175.2-67.7178.9-179.1172.80112.6E6 H12E6-K8 PolarHBondContact O-N 3.42Å; K8-H12 WeakPolarHBondContact O-CB 3.5Å; K8-H12 PolarHBondContact O-N 2.86Å
9E79.3Confident74Confident78 Ų7879.5 Ų79.536%0.36443%0.429SS..Hα-helixtrans-69.1-38.8177-59-179.1149.100110.4M5 E6 T7 I11 H12 C13 R39M5-E9 VanDerWaalsContact CE-C 3.48Å; M5-E9 HydrophobicContact CE-CB 3.71Å; M5-E9 HydrophobicContact CG-CB 3.82Å; M5-E9 VanDerWaalsContact CG-OE2 3.32Å; M5-E9 WeakPolarHBondContact CG-OE2 3.21Å; E6-E9 HydrophobicContact CB-CG 4.18Å; E6-E9 PolarHBondContact N-OE2 3.06Å; E6-E9 WeakPolarHBondContact O-CA 3.46Å; E6-E9 WeakPolarHBondContact O-CB 3.25Å; E6-E9 PolarHBondContact O-N 3.22Å; T7-E9 VanDerWaalsContact C-N 3.34Å; E9-I11 VanDerWaalsContact C-N 3.35Å; E9-I11 PolarHBondContact O-N 2.93Å; E9-H12 WeakPolarHBondContact O-CB 3.5Å; E9-H12 PolarHBondContact O-N 3.18Å; E9-C13 PolarHBondContact O-N 3.25Å; E9-C13 PolarHBondContact O-SG 2.89Å; E9-C13 VanDerWaalsContact O-SG 3.35Å; E9-R39 IonicContact OE2-NH1 2.85Å
10V79.9Confident74.4Confident0 Ų076.7 Ų76.70%041%0.414CS..Hα-helixtrans-64.8-41.1178.2-175.50000110.8M5 E6 T7 C13 A14 V41 T49 L51M5-V10 HydrophobicContact CB-CG2 4.31Å; M5-V10 HydrophobicContact CE-CG2 4.07Å; M5-V10 HydrophobicContact CG-CG2 3.87Å; M5-V10 HydrophobicContact SD-CG2 3.89Å; E6-V10 PolarHBondContact O-N 3.4Å; T7-V10 PolarHBondContact O-N 3.39Å; V10-C13 PolarHBondContact O-N 2.84Å; V10-A14 PolarHBondContact O-N 3.35Å; V10-V41 HydrophobicContact CG1-CG1 4.07Å; V10-V41 HydrophobicContact CG2-CG1 4.13Å; V10-T49 HydrophobicContact CB-CG2 4.21Å; V10-T49 HydrophobicContact CG1-CG2 3.86Å; V10-L51 HydrophobicContact CG1-CD2 3.84Å
11I82.3Confident74.8Confident80 Ų8074.1 Ų74.141%0.4140%0.403SS..Hα-helixtrans-63.3-45.3173.5-66165.8000110.6T7 E9 C13 A14 L15 T49T7-I11 HydrophobicContact CG2-CD1 4.36Å; T7-I11 VanDerWaalsContact O-CG1 3.31Å; T7-I11 WeakPolarHBondContact O-CG1 3.34Å; T7-I11 PolarHBondContact O-N 3.4Å; T7-I11 VanDerWaalsContact O-N 3.11Å; E9-I11 VanDerWaalsContact C-N 3.35Å; E9-I11 PolarHBondContact O-N 2.93Å; I11-C13 VanDerWaalsContact C-N 3.32Å; I11-C13 PolarHBondContact O-N 2.97Å; I11-A14 PolarHBondContact O-N 2.64Å; I11-L15 HydrophobicContact CG2-CD1 4.26Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.03Å; I11-L15 VanDerWaalsContact O-N 3.07Å; I11-T49 HydrophobicContact CD1-CG2 4.47Å; I11-T49 HydrophobicContact CG1-CG2 3.63Å
12H84.2Confident77.1Confident107 Ų10769.7 Ų69.750%0.49538%0.377SS..Hα-helixtrans-60-42.9177.1-179.1-98.3000111.5K8 E9 A14 L15 Q16K8-H12 WeakPolarHBondContact O-CB 3.5Å; K8-H12 PolarHBondContact O-N 2.86Å; E9-H12 WeakPolarHBondContact O-CB 3.5Å; E9-H12 PolarHBondContact O-N 3.18Å; H12-A14 PolarHBondContact O-N 2.88Å; H12-L15 PolarHBondContact O-N 3.02Å; H12-Q16 VanDerWaalsContact CE1-CG 3.45Å; H12-Q16 WeakPolarHBondContact CE1-CG 3.37Å; H12-Q16 PolarHBondContact NE2-NE2 2.84Å; H12-Q16 VanDerWaalsContact NE2-NE2 3.14Å; H12-Q16 WeakPolarHBondContact O-CB 3.36Å; H12-Q16 VanDerWaalsContact O-CG 3.27Å; H12-Q16 WeakPolarHBondContact O-CG 3.36Å; H12-Q16 PolarHBondContact O-N 3.43Å
13C83.2Confident78.7Confident15 Ų1569.3 Ų69.310%0.10137%0.367CS..Hα-helixtrans-61.7-40.7175.2-73.20000112.9M5 E9 V10 I11 L15 Q16 L17 L36M5-C13 HydrophobicContact CE-CB 4.23Å; M5-C13 WeakPolarHBondContact CE-SG 3.42Å; E9-C13 PolarHBondContact O-N 3.25Å; E9-C13 PolarHBondContact O-SG 2.89Å; E9-C13 VanDerWaalsContact O-SG 3.35Å; V10-C13 PolarHBondContact O-N 2.84Å; I11-C13 VanDerWaalsContact C-N 3.32Å; I11-C13 PolarHBondContact O-N 2.97Å; C13-L15 PolarHBondContact O-N 3.33Å; C13-Q16 PolarHBondContact O-N 2.76Å; C13-L17 WeakPolarHBondContact O-CB 3.36Å; C13-L17 WeakPolarHBondContact O-CG 3.36Å; C13-L17 PolarHBondContact O-N 2.82Å; C13-L36 HydrophobicContact CB-CD1 4.33Å; C13-L36 HydrophobicContact CB-CD2 4.02Å; C13-L36 HydrophobicContact CB-CG 4.44Å
14A83.4Confident80.2Confident9 Ų969 Ų697%0.07436%0.361CS..Hα-helixtrans-61.9-43175.600000112V10 I11 H12 L17 E18 L51 V54V10-A14 PolarHBondContact O-N 3.35Å; I11-A14 PolarHBondContact O-N 2.64Å; H12-A14 PolarHBondContact O-N 2.88Å; A14-L17 PolarHBondContact O-N 2.77Å; A14-E18 PolarHBondContact O-N 3.13Å; A14-E18 VanDerWaalsContact O-N 3.08Å; A14-L51 HydrophobicContact CB-CB 4.31Å; A14-L51 HydrophobicContact CB-CD1 3.87Å; A14-V54 HydrophobicContact CB-CG2 4.36Å
15L85Confident81.2Confident107 Ų10767.4 Ų67.456%0.5635%0.345SS*.Hα-helixtrans-67.1-41.2177.4-68.2173000112.3I11 H12 C13 E18 K19I11-L15 HydrophobicContact CG2-CD1 4.26Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.03Å; I11-L15 VanDerWaalsContact O-N 3.07Å; H12-L15 PolarHBondContact O-N 3.02Å; C13-L15 PolarHBondContact O-N 3.33Å; L15-E18 PolarHBondContact O-N 3.5Å; L15-K19 WeakPolarHBondContact O-CB 2.86Å; L15-K19 PolarHBondContact O-N 2.81Å
16Q83.8Confident81.8Confident64 Ų6470.1 Ų70.130%0.29936%0.357SS..Hα-helixtrans-65-40.5175.7-69.4-64.3-25.800111.4H12 C13 E18 K19 L20 L32H12-Q16 VanDerWaalsContact CE1-CG 3.45Å; H12-Q16 WeakPolarHBondContact CE1-CG 3.37Å; H12-Q16 PolarHBondContact NE2-NE2 2.84Å; H12-Q16 VanDerWaalsContact NE2-NE2 3.14Å; H12-Q16 WeakPolarHBondContact O-CB 3.36Å; H12-Q16 VanDerWaalsContact O-CG 3.27Å; H12-Q16 WeakPolarHBondContact O-CG 3.36Å; H12-Q16 PolarHBondContact O-N 3.43Å; C13-Q16 PolarHBondContact O-N 2.76Å; Q16-E18 PolarHBondContact O-N 2.92Å; Q16-K19 PolarHBondContact O-N 3.05Å; Q16-L20 WeakPolarHBondContact O-CB 3.42Å; Q16-L20 VanDerWaalsContact O-CG 3.25Å; Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.97Å; Q16-L32 HydrophobicContact CB-CD2 3.79Å
17L84.8Confident82.1Confident0 Ų072 Ų720%037%0.366CS..Hα-helixtrans-61.1-42.1174.7-81.7173.8000112.1C13 A14 A21 I29 L32 L33 L36 L51 V54 L55 L58C13-L17 WeakPolarHBondContact O-CB 3.36Å; C13-L17 WeakPolarHBondContact O-CG 3.36Å; C13-L17 PolarHBondContact O-N 2.82Å; A14-L17 PolarHBondContact O-N 2.77Å; L17-A21 WeakPolarHBondContact O-CB 3.21Å; L17-A21 PolarHBondContact O-N 2.93Å; L17-I29 HydrophobicContact CD2-CG2 4.08Å; L17-L32 HydrophobicContact CD2-CB 4.38Å; L17-L32 HydrophobicContact CD2-CD2 3.77Å; L17-L32 HydrophobicContact CD2-CG 4.19Å; L17-L32 HydrophobicContact CG-CD2 3.65Å; L17-L32 HydrophobicContact CG-CG 4.26Å; L17-L33 HydrophobicContact CD1-CD2 4.31Å; L17-L33 HydrophobicContact CD2-CD2 4.12Å; L17-L33 HydrophobicContact CD2-CG 4.3Å; L17-L36 HydrophobicContact CD1-CD1 3.74Å; L17-L51 HydrophobicContact CD1-CD1 3.81Å; L17-V54 HydrophobicContact CB-CG1 3.76Å; L17-L55 HydrophobicContact CD1-CD2 4.16Å; L17-L58 HydrophobicContact CB-CD1 4.06Å; L17-L58 HydrophobicContact CD1-CD1 4.34Å; L17-L58 HydrophobicContact CD2-CD1 3.94Å; L17-L58 HydrophobicContact CG-CD1 4.34Å
18E84.3Confident82.4Confident73 Ų7371.6 Ų71.634%0.34137%0.366SS..Hα-helixtrans-66.1-40.9175.6-73.5-152.4130.500112.9A14 L15 Q16 A21 A22 V54 K57A14-E18 PolarHBondContact O-N 3.13Å; A14-E18 VanDerWaalsContact O-N 3.08Å; L15-E18 PolarHBondContact O-N 3.5Å; Q16-E18 PolarHBondContact O-N 2.92Å; E18-A21 WeakPolarHBondContact O-CB 3.26Å; E18-A21 PolarHBondContact O-N 2.85Å; E18-A22 PolarHBondContact O-N 2.84Å; E18-A22 VanDerWaalsContact O-N 3.14Å; E18-V54 HydrophobicContact CG-CB 4.17Å; E18-V54 HydrophobicContact CG-CG1 3.57Å; E18-V54 HydrophobicContact CG-CG2 3.53Å; E18-K57 IonicContact OE1-NZ 3.73Å; E18-K57 PolarHBondContact OE1-NZ 2.96Å
19K86.4Confident82.7Confident111 Ų11163.8 Ų63.848%0.48333%0.332SS..Hα-helixtrans-63.8-50.2177.5-176.5-178172.1-173.20111.3L15 Q16 A21 A22 E23L15-K19 WeakPolarHBondContact O-CB 2.86Å; L15-K19 PolarHBondContact O-N 2.81Å; Q16-K19 PolarHBondContact O-N 3.05Å; K19-A21 VanDerWaalsContact C-N 3.28Å; K19-A21 PolarHBondContact O-N 3.38Å; K19-A22 WeakPolarHBondContact O-CB 3.04Å; K19-A22 PolarHBondContact O-N 2.81Å; K19-A22 VanDerWaalsContact O-N 3.08Å; K19-E23 WeakPolarHBondContact CE-OE1 3.35Å; K19-E23 IonicContact NZ-OE1 2.87Å; K19-E23 WeakPolarHBondContact O-CG 3.45Å; K19-E23 PolarHBondContact O-N 3.08Å
20L83.9Confident82.9Confident23 Ų2361.4 Ų61.412%0.1232%0.324CS..Hα-helixtrans-66.1-31.3179.4-65.7171.3000112Q16 A22 E23 Q24 S25 I29 L32Q16-L20 WeakPolarHBondContact O-CB 3.42Å; Q16-L20 VanDerWaalsContact O-CG 3.25Å; Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.97Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-E23 CarbonylContact O-C 3.3Å; L20-E23 PolarHBondContact O-N 3.22Å; L20-Q24 PolarHBondContact O-N 3.34Å; L20-S25 PolarHBondContact O-N 3.19Å; L20-I29 HydrophobicContact CB-CD1 4.21Å; L20-I29 HydrophobicContact CB-CG1 3.63Å; L20-I29 HydrophobicContact CD1-CG1 4.48Å; L20-L32 HydrophobicContact CD1-CD2 4.15Å
21A82.2Confident83.2Confident23 Ų2365.1 Ų65.119%0.1935%0.346CS..Hα-helixtrans-62.8-37.9171.500000112.6L17 E18 K19 L58L17-A21 WeakPolarHBondContact O-CB 3.21Å; L17-A21 PolarHBondContact O-N 2.93Å; E18-A21 WeakPolarHBondContact O-CB 3.26Å; E18-A21 PolarHBondContact O-N 2.85Å; K19-A21 VanDerWaalsContact C-N 3.28Å; K19-A21 PolarHBondContact O-N 3.38Å; A21-L58 HydrophobicContact CB-CD2 3.43Å; A21-L58 VanDerWaalsContact CB-CD2 3.43Å; A21-L58 HydrophobicContact CB-CG 4.32Å
22A82.6Confident83.4Confident84 Ų8462.6 Ų62.669%0.69433%0.333SS*.Hα-helixtrans-72.7-35.2176.800000111.8E18 K19 L20 Q24E18-A22 PolarHBondContact O-N 2.84Å; E18-A22 VanDerWaalsContact O-N 3.14Å; K19-A22 WeakPolarHBondContact O-CB 3.04Å; K19-A22 PolarHBondContact O-N 2.81Å; K19-A22 VanDerWaalsContact O-N 3.08Å; L20-A22 VanDerWaalsContact C-N 3.32Å; A22-Q24 VanDerWaalsContact C-N 3.31Å
23E82.6Confident83.4Confident114 Ų11457.5 Ų57.553%0.53331%0.31SS..Hα-helixtrans-81.9-5.1178.2-67.3171.4-177.800113.5K19 L20 S25K19-E23 WeakPolarHBondContact CE-OE1 3.35Å; K19-E23 IonicContact NZ-OE1 2.87Å; K19-E23 WeakPolarHBondContact O-CG 3.45Å; K19-E23 PolarHBondContact O-N 3.08Å; L20-E23 CarbonylContact O-C 3.3Å; L20-E23 PolarHBondContact O-N 3.22Å; E23-S25 PolarHBondContact O-N 3.28Å
24Q79.3Confident83.4Confident136 Ų13659.5 Ų59.564%0.63632%0.319SS*.THydrogen-bonded Turntrans54.631.3-176.7-60.1-173.6-4.600114.3L20 A22 F26L20-Q24 PolarHBondContact O-N 3.34Å; A22-Q24 VanDerWaalsContact C-N 3.31Å; Q24-F26 HydrophobicContact CB-CE2 4.01Å; Q24-F26 HydrophobicContact CB-CZ 3.87Å; Q24-F26 HydrophobicContact CG-CZ 4.31Å; Q24-F26 VanDerWaalsContact O-CD2 3.23Å; Q24-F26 WeakPolarHBondContact O-CD2 3.46Å; Q24-F26 VanDerWaalsContact O-CE2 3.28Å; Q24-F26 WeakPolarHBondContact O-CE2 3.45Å; Q24-F26 PolarHBondContact O-N 2.85Å; Q24-F26 VanDerWaalsContact O-N 3.15Å
25S81Confident83.4Confident40 Ų4062.6 Ų62.628%0.2834%0.335SS..  trans-84.785.6176.6-175.30000111.2L20 E23 E27 S28 I29L20-S25 PolarHBondContact O-N 3.19Å; E23-S25 PolarHBondContact O-N 3.28Å; S25-E27 PolarHBondContact O-N 2.9Å; S25-S28 WeakPolarHBondContact OG-CB 3.48Å; S25-S28 PolarHBondContact OG-OG 2.8Å; S25-I29 WeakPolarHBondContact O-CD1 3.4Å; S25-I29 WeakPolarHBondContact O-CG1 3.28Å; S25-I29 PolarHBondContact O-N 2.82Å; S25-I29 VanDerWaalsContact O-N 3.13Å
26F80.1Confident83.3Confident64 Ų6457.6 Ų57.628%0.28131%0.309SS..Hα-helixtrans-70.7-29.1-172.8-55.6-67.4000114.5Q24 I29 S30 C62 E64 V67Q24-F26 HydrophobicContact CB-CE2 4.01Å; Q24-F26 HydrophobicContact CB-CZ 3.87Å; Q24-F26 HydrophobicContact CG-CZ 4.31Å; Q24-F26 VanDerWaalsContact O-CD2 3.23Å; Q24-F26 WeakPolarHBondContact O-CD2 3.46Å; Q24-F26 VanDerWaalsContact O-CE2 3.28Å; Q24-F26 WeakPolarHBondContact O-CE2 3.45Å; Q24-F26 PolarHBondContact O-N 2.85Å; Q24-F26 VanDerWaalsContact O-N 3.15Å; F26-I29 HydrophobicContact CD1-CD1 4.43Å; F26-S30 WeakPolarHBondContact O-CB 3.5Å; F26-S30 PolarHBondContact O-N 2.82Å; F26-S30 PolarHBondContact O-OG 3.46Å; F26-C62 HydrophobicContact CE1-CB 4.33Å; F26-E64 HydrophobicContact CB-CB 4.41Å; F26-E64 HydrophobicContact CB-CG 4.12Å; F26-E64 HydrophobicContact CD1-CB 3.66Å; F26-E64 HydrophobicContact CD1-CG 4.3Å; F26-E64 HydrophobicContact CD2-CB 4.33Å; F26-E64 HydrophobicContact CD2-CG 4.44Å; F26-E64 HydrophobicContact CE1-CB 3.97Å; F26-E64 HydrophobicContact CG-CB 3.86Å; F26-E64 HydrophobicContact CG-CG 4.03Å; F26-E64 HydrophobicContact CZ-CB 4.43Å; F26-V67 HydrophobicContact CB-CG2 4.41Å
27E81.5Confident83.2Confident164 Ų16456.6 Ų56.677%0.76631%0.305SS*.Hα-helixtrans-68.4-46.6177.3-172.1171.1-16600110.9S25 I29 S30 T31S25-E27 PolarHBondContact O-N 2.9Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.31Å; E27-S30 WeakPolarHBondContact O-CB 3.29Å; E27-S30 PolarHBondContact O-N 3.48Å; E27-S30 VanDerWaalsContact O-N 3.17Å; E27-T31 PolarHBondContact O-N 3.03Å
28S82.8Confident83Confident48 Ų4865.3 Ų65.334%0.33634%0.338SS..Hα-helixtrans-67.2-33176.1-50.30000112.9S25 T31 L32S25-S28 WeakPolarHBondContact OG-CB 3.48Å; S25-S28 PolarHBondContact OG-OG 2.8Å; S28-T31 WeakPolarHBondContact CA-OG1 3.39Å; S28-T31 PolarHBondContact O-OG1 3.24Å; S28-L32 VanDerWaalsContact O-CB 3.29Å; S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 2.95Å; S28-L32 VanDerWaalsContact O-N 3.11Å
29I84.6Confident82.6Confident0 Ų067.1 Ų67.10%034%0.342CS..Hα-helixtrans-65.2-42.7172.1-67.4164.8000110.1L17 L20 S25 F26 E27 L32 L33 L58 V67L17-I29 HydrophobicContact CD2-CG2 4.08Å; L20-I29 HydrophobicContact CB-CD1 4.21Å; L20-I29 HydrophobicContact CB-CG1 3.63Å; L20-I29 HydrophobicContact CD1-CG1 4.48Å; S25-I29 WeakPolarHBondContact O-CD1 3.4Å; S25-I29 WeakPolarHBondContact O-CG1 3.28Å; S25-I29 PolarHBondContact O-N 2.82Å; S25-I29 VanDerWaalsContact O-N 3.13Å; F26-I29 HydrophobicContact CD1-CD1 4.43Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.31Å; I29-L32 PolarHBondContact O-N 3.14Å; I29-L33 HydrophobicContact CG2-CD1 3.86Å; I29-L33 HydrophobicContact CG2-CG 4.2Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.21Å; I29-L33 PolarHBondContact O-N 2.75Å; I29-L58 HydrophobicContact CD1-CD2 4.32Å; I29-V67 HydrophobicContact CB-CG2 4.36Å; I29-V67 HydrophobicContact CG2-CG1 3.58Å; I29-V67 HydrophobicContact CG2-CG2 4.03Å
30S83.9Confident81.6Confident28 Ų2866.5 Ų66.520%0.19634%0.344CS..Hα-helixtrans-63.9-43.4-179.6-60.50000112F26 E27 L33 D34 V67F26-S30 WeakPolarHBondContact O-CB 3.5Å; F26-S30 PolarHBondContact O-N 2.82Å; F26-S30 PolarHBondContact O-OG 3.46Å; E27-S30 WeakPolarHBondContact O-CB 3.29Å; E27-S30 PolarHBondContact O-N 3.48Å; E27-S30 VanDerWaalsContact O-N 3.17Å; S30-L33 PolarHBondContact O-N 2.8Å; S30-D34 PolarHBondContact O-N 2.71Å; S30-V67 VanDerWaalsContact OG-CG2 3.23Å; S30-V67 WeakPolarHBondContact OG-CG2 3.32Å
31T86.3Confident81.2Confident78 Ų7865.4 Ų65.448%0.47934%0.338SS..Hα-helixtrans-63.6-41.7175.755.70000111.7E27 S28 L33 D34 D35E27-T31 PolarHBondContact O-N 3.03Å; S28-T31 WeakPolarHBondContact CA-OG1 3.39Å; S28-T31 PolarHBondContact O-OG1 3.24Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 3.5Å; T31-D34 PolarHBondContact O-N 3.45Å; T31-D35 PolarHBondContact O-N 3.02Å
32L85.2Confident80.9Confident26 Ų2666 Ų6614%0.13634%0.341CS..Hα-helixtrans-68.8-32.9-180-169.961.2000112.5Q16 L17 L20 S28 I29 L36Q16-L32 HydrophobicContact CB-CD2 3.79Å; L17-L32 HydrophobicContact CD2-CB 4.38Å; L17-L32 HydrophobicContact CD2-CD2 3.77Å; L17-L32 HydrophobicContact CD2-CG 4.19Å; L17-L32 HydrophobicContact CG-CD2 3.65Å; L17-L32 HydrophobicContact CG-CG 4.26Å; L20-L32 HydrophobicContact CD1-CD2 4.15Å; S28-L32 VanDerWaalsContact O-CB 3.29Å; S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 2.95Å; S28-L32 VanDerWaalsContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.14Å; L32-L36 WeakPolarHBondContact O-CB 3.11Å; L32-L36 WeakPolarHBondContact O-CG 3.35Å; L32-L36 PolarHBondContact O-N 3.11Å; L32-L36 VanDerWaalsContact O-N 3.07Å
33L84.5Confident80.5Confident0 Ų063.4 Ų63.40%032%0.317CS..Hα-helixtrans-71.2-37.3172.4-70.8176.6000112.2L17 I29 S30 T31 L36 D37 L55 V67 M70 A71 L74L17-L33 HydrophobicContact CD1-CD2 4.31Å; L17-L33 HydrophobicContact CD2-CD2 4.12Å; L17-L33 HydrophobicContact CD2-CG 4.3Å; I29-L33 HydrophobicContact CG2-CD1 3.86Å; I29-L33 HydrophobicContact CG2-CG 4.2Å; I29-L33 WeakPolarHBondContact O-CB 3.31Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.21Å; I29-L33 PolarHBondContact O-N 2.75Å; S30-L33 PolarHBondContact O-N 2.8Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 3.5Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-D37 PolarHBondContact O-N 3.35Å; L33-L55 HydrophobicContact CD2-CD2 3.45Å; L33-L55 VanDerWaalsContact CD2-CD2 3.45Å; L33-V67 HydrophobicContact CD1-CG1 4.01Å; L33-M70 HydrophobicContact CB-CG 4.03Å; L33-M70 HydrophobicContact CB-SD 3.58Å; L33-M70 VanDerWaalsContact CB-SD 3.58Å; L33-M70 HydrophobicContact CD1-CB 4.33Å; L33-M70 HydrophobicContact CD1-CG 4.37Å; L33-M70 HydrophobicContact CD1-SD 4.36Å; L33-A71 HydrophobicContact CD1-CB 4.32Å; L33-L74 HydrophobicContact CB-CD1 4.04Å; L33-L74 HydrophobicContact CD2-CD1 3.86Å; L33-L74 HydrophobicContact CG-CD1 4.47Å
34D83.7Confident80.1Confident57 Ų5763.6 Ų63.631%0.30532%0.318SS..Hα-helixtrans-65.6-41.2173.8-164.562.3000111.1S30 T31 L36 D37 R38S30-D34 PolarHBondContact O-N 2.71Å; T31-D34 PolarHBondContact O-N 3.45Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.12Å; D34-D37 WeakPolarHBondContact O-CB 3.27Å; D34-D37 PolarHBondContact O-N 3.31Å; D34-D37 VanDerWaalsContact O-N 3.1Å; D34-R38 WeakPolarHBondContact O-CG 3.45Å; D34-R38 PolarHBondContact O-N 3.04Å; D34-R38 IonicContact OD2-CZ 2.8Å; D34-R38 VanDerWaalsContact OD2-CZ 3.24Å; D34-R38 IonicContact OD2-NE 2.69Å; D34-R38 PolarHBondContact OD2-NE 3.17Å; D34-R38 IonicContact OD2-NH2 3.98Å; D34-R38 PolarHBondContact OD2-NH2 3.44Å
35D83Confident79.8Confident75 Ų7558 Ų5840%0.40129%0.292SS..Hα-helixtrans-62.6-40.2174.9-75.2-23.1000112.2T31 D37 R38 R39T31-D35 PolarHBondContact O-N 3.02Å; D35-D37 VanDerWaalsContact C-N 3.31Å; D35-R38 PolarHBondContact O-N 3.31Å; D35-R39 WeakPolarHBondContact O-CB 3.38Å; D35-R39 WeakPolarHBondContact O-CG 3.31Å; D35-R39 PolarHBondContact O-N 2.99Å
36L83.1Confident79.5Confident2 Ų257.2 Ų57.21%0.0128%0.284CS..Hα-helixtrans-68.4-26.6173.2-78.3169.5000113.2M5 C13 L17 L32 L33 D34 R39 V41 L51M5-L36 HydrophobicContact CE-CD2 4.05Å; M5-L36 HydrophobicContact SD-CD2 4.21Å; C13-L36 HydrophobicContact CB-CD1 4.33Å; C13-L36 HydrophobicContact CB-CD2 4.02Å; C13-L36 HydrophobicContact CB-CG 4.44Å; L17-L36 HydrophobicContact CD1-CD1 3.74Å; L32-L36 WeakPolarHBondContact O-CB 3.11Å; L32-L36 WeakPolarHBondContact O-CG 3.35Å; L32-L36 PolarHBondContact O-N 3.11Å; L32-L36 VanDerWaalsContact O-N 3.07Å; L33-L36 PolarHBondContact O-N 2.86Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.12Å; L36-R39 VanDerWaalsContact O-O 3.1Å; L36-V41 HydrophobicContact CD2-CG2 4.38Å; L36-L51 HydrophobicContact CD1-CD1 4.18Å; L36-L51 HydrophobicContact CD2-CD2 4.25Å
37D81.4Confident79.2Confident42 Ų4261.5 Ų61.523%0.22531%0.305CS..Hα-helixtrans-75.8-33.9174.4-159.950000112L33 D34 D35 L74 R77L33-D37 PolarHBondContact O-N 3.35Å; D34-D37 WeakPolarHBondContact O-CB 3.27Å; D34-D37 PolarHBondContact O-N 3.31Å; D34-D37 VanDerWaalsContact O-N 3.1Å; D35-D37 VanDerWaalsContact C-N 3.31Å; D37-L74 HydrophobicContact CB-CD2 3.73Å; D37-L74 WeakPolarHBondContact OD1-CD2 3.32Å; D37-R77 IonicContact OD1-CZ 3.65Å; D37-R77 IonicContact OD1-NE 3.39Å; D37-R77 IonicContact OD1-NH1 3.52Å; D37-R77 PolarHBondContact OD1-NH1 3.39Å; D37-R77 IonicContact OD1-NH2 2.77Å; D37-R77 PolarHBondContact OD1-NH2 3.24Å; D37-R77 VanDerWaalsContact OD1-NH2 3.12Å; D37-R77 IonicContact OD2-CZ 3.64Å; D37-R77 IonicContact OD2-NH1 2.75Å; D37-R77 PolarHBondContact OD2-NH1 3Å; D37-R77 IonicContact OD2-NH2 3.83Å; D37-R77 PolarHBondContact OD2-NH2 3.23Å
38R80.3Confident78.6Confident184 Ų18461 Ų6169%0.69431%0.305SS*.Hα-helixtrans-78.2-32.9179.8-69.8175.2-170.8-119.83.9113D34 D35D34-R38 WeakPolarHBondContact O-CG 3.45Å; D34-R38 PolarHBondContact O-N 3.04Å; D34-R38 IonicContact OD2-CZ 2.8Å; D34-R38 VanDerWaalsContact OD2-CZ 3.24Å; D34-R38 IonicContact OD2-NE 2.69Å; D34-R38 PolarHBondContact OD2-NE 3.17Å; D34-R38 IonicContact OD2-NH2 3.98Å; D34-R38 PolarHBondContact OD2-NH2 3.44Å; D35-R38 PolarHBondContact O-N 3.31Å
39R77.1Confident78.4Confident111 Ų11159.1 Ų59.142%0.41929%0.291SS..SBendtrans-90116.8178.4-65.2179.4-173.9-120.40.1109.2M5 E9 D35 L36 V41M5-R39 HydrophobicContact CB-CB 4.38Å; M5-R39 HydrophobicContact SD-CB 3.9Å; E9-R39 IonicContact OE2-NH1 2.85Å; D35-R39 WeakPolarHBondContact O-CB 3.38Å; D35-R39 WeakPolarHBondContact O-CG 3.31Å; D35-R39 PolarHBondContact O-N 2.99Å; L36-R39 VanDerWaalsContact O-O 3.1Å; R39-V41 PolarHBondContact O-N 2.98Å
40N65.6Low78.2Confident97 Ų9763.7 Ų63.752%0.51932%0.316SS..  trans-67.3105.7179.8-75.4-35.2000110.6
41V75.6Confident78.1Confident1 Ų162.4 Ų62.41%0.00631%0.306CS..  trans-84.3126.2174.5-169.40000109.7M5 V10 L36 R39 Q45 L46 W78 Y82M5-V41 HydrophobicContact SD-CG2 4.45Å; V10-V41 HydrophobicContact CG1-CG1 4.07Å; V10-V41 HydrophobicContact CG2-CG1 4.13Å; L36-V41 HydrophobicContact CD2-CG2 4.38Å; R39-V41 PolarHBondContact O-N 2.98Å; V41-Q45 HydrophobicContact CG1-CB 3.92Å; V41-L46 HydrophobicContact CB-CD1 3.88Å; V41-L46 HydrophobicContact CG1-CD1 3.51Å; V41-L46 HydrophobicContact CG1-CG 4.36Å; V41-W78 HydrophobicContact CB-CZ2 4.41Å; V41-W78 HydrophobicContact CG2-CZ2 4.05Å; V41-Y82 PolarHBondContact O-OH 2.88Å
42S75.2Confident78Confident34 Ų3460.6 Ų60.624%0.23830%0.295CS..  trans-74.6157.4-177.496.10000113E44 Q45 L46S42-E44 VanDerWaalsContact C-N 3.3Å; S42-E44 WeakPolarHBondContact CB-OE2 3.33Å; S42-E44 PolarHBondContact O-N 2.82Å; S42-E44 PolarHBondContact OG-OE2 3.34Å; S42-Q45 WeakPolarHBondContact O-CB 3.24Å; S42-Q45 PolarHBondContact O-N 2.86Å; S42-Q45 VanDerWaalsContact O-N 3.13Å; S42-Q45 WeakPolarHBondContact OG-CG 3.49Å; S42-Q45 PolarHBondContact OG-N 3.41Å; S42-L46 WeakPolarHBondContact O-CD1 3.38Å; S42-L46 PolarHBondContact O-N 3.37Å; S42-L46 VanDerWaalsContact O-N 3.12Å
43P74.5Confident78Confident31 Ų3166.1 Ų66.120%0.20132%0.318CS..Hα-helixtrans-61.6-37.7179.519.5-23.8000112.6Q45 L46 E47 Y82P43-Q45 PolarHBondContact O-N 3.16Å; P43-L46 PolarHBondContact O-N 3.29Å; P43-E47 PolarHBondContact O-N 3.33Å; P43-E47 VanDerWaalsContact O-N 3.1Å; P43-Y82 HydrophobicContact CB-CD1 3.46Å; P43-Y82 VanDerWaalsContact CB-CD1 3.46Å; P43-Y82 HydrophobicContact CB-CD2 4.35Å; P43-Y82 HydrophobicContact CB-CE1 3.77Å; P43-Y82 HydrophobicContact CB-CG 3.8Å; P43-Y82 VanDerWaalsContact CD-CE1 3.42Å; P43-Y82 HydrophobicContact CG-CD1 3.71Å; P43-Y82 HydrophobicContact CG-CE1 3.7Å
44E73.3Confident78.1Confident118 Ų11866.5 Ų66.555%0.55132%0.32SS*.Hα-helixtrans-63.3-34.9177.7-53.684.7-17500111S42 E47 M48S42-E44 VanDerWaalsContact C-N 3.3Å; S42-E44 WeakPolarHBondContact CB-OE2 3.33Å; S42-E44 PolarHBondContact O-N 2.82Å; S42-E44 PolarHBondContact OG-OE2 3.34Å; E44-E47 PolarHBondContact O-N 2.83Å; E44-M48 VanDerWaalsContact O-CB 3.32Å; E44-M48 WeakPolarHBondContact O-CB 3.45Å; E44-M48 VanDerWaalsContact O-CG 3.26Å; E44-M48 WeakPolarHBondContact O-CG 3.48Å; E44-M48 PolarHBondContact O-N 2.84Å
45Q74Confident78.2Confident19 Ų1963.8 Ų63.89%0.08931%0.306CS..Hα-helixtrans-71.8-36.7177.2-66.6174.5-36.100112.2M5 T7 V41 S42 P43 E47 M48 T49M5-Q45 PolarHBondContact O-NE2 2.83Å; T7-Q45 HydrophobicContact CG2-CG 4.49Å; T7-Q45 PolarHBondContact OG1-NE2 3.42Å; V41-Q45 HydrophobicContact CG1-CB 3.92Å; S42-Q45 WeakPolarHBondContact O-CB 3.24Å; S42-Q45 PolarHBondContact O-N 2.86Å; S42-Q45 VanDerWaalsContact O-N 3.13Å; S42-Q45 WeakPolarHBondContact OG-CG 3.49Å; S42-Q45 PolarHBondContact OG-N 3.41Å; P43-Q45 PolarHBondContact O-N 3.16Å; Q45-E47 VanDerWaalsContact C-N 3.33Å; Q45-M48 PolarHBondContact O-N 3.25Å; Q45-T49 VanDerWaalsContact O-CB 3.25Å; Q45-T49 WeakPolarHBondContact O-CB 3.48Å; Q45-T49 VanDerWaalsContact O-CG2 3.24Å; Q45-T49 WeakPolarHBondContact O-CG2 3.47Å; Q45-T49 PolarHBondContact O-N 2.96Å; Q45-T49 PolarHBondContact O-OG1 2.87Å
46L74.4Confident78.3Confident22 Ų2266.9 Ų66.912%0.11531%0.313CS..Hα-helixtrans-66.5-33.5173.7-86.292.9000112.8V41 S42 P43 T49 V52 W78 Y82V41-L46 HydrophobicContact CB-CD1 3.88Å; V41-L46 HydrophobicContact CG1-CD1 3.51Å; V41-L46 HydrophobicContact CG1-CG 4.36Å; S42-L46 WeakPolarHBondContact O-CD1 3.38Å; S42-L46 PolarHBondContact O-N 3.37Å; S42-L46 VanDerWaalsContact O-N 3.12Å; P43-L46 PolarHBondContact O-N 3.29Å; L46-T49 VanDerWaalsContact O-O 3.06Å; L46-V52 HydrophobicContact CB-CG2 4.41Å; L46-V52 HydrophobicContact CD2-CG2 3.79Å; L46-V52 HydrophobicContact CG-CG2 4.34Å; L46-W78 HydrophobicContact CD1-CD2 4.45Å; L46-W78 HydrophobicContact CD2-CB 3.9Å; L46-W78 HydrophobicContact CD2-CD2 3.64Å; L46-W78 HydrophobicContact CD2-CE3 3.4Å; L46-W78 VanDerWaalsContact CD2-CE3 3.4Å; L46-W78 HydrophobicContact CD2-CG 3.88Å; L46-W78 HydrophobicContact CD2-CZ3 4.03Å; L46-W78 HydrophobicContact CG-CD2 4.49Å; L46-W78 HydrophobicContact CG-CE3 4.32Å; L46-Y82 HydrophobicContact CD1-CD2 4.48Å; L46-Y82 HydrophobicContact CD1-CE2 3.82Å; L46-Y82 HydrophobicContact CD2-CD2 4.5Å; L46-Y82 HydrophobicContact CD2-CE2 4.45Å
47E72.6Confident78.5Confident155 Ų15572.2 Ų72.272%0.72434%0.336SS*.Hα-helixtrans-75.5-38.2176.8-71.8-169.616800111.8P43 E44 Q45P43-E47 PolarHBondContact O-N 3.33Å; P43-E47 VanDerWaalsContact O-N 3.1Å; E44-E47 PolarHBondContact O-N 2.83Å; Q45-E47 VanDerWaalsContact C-N 3.33Å
48M69.8Low78.6Confident154 Ų15470.3 Ų70.376%0.75933%0.326SS*.Hα-helixtrans-78-19.9179.4-73.5-177.2150.100113.8E44 Q45E44-M48 VanDerWaalsContact O-CB 3.32Å; E44-M48 WeakPolarHBondContact O-CB 3.45Å; E44-M48 VanDerWaalsContact O-CG 3.26Å; E44-M48 WeakPolarHBondContact O-CG 3.48Å; E44-M48 PolarHBondContact O-N 2.84Å; Q45-M48 PolarHBondContact O-N 3.25Å
49T79.3Confident78.8Confident8 Ų863 Ų635%0.04930%0.3CS..SBendtrans-110.5142.8-177.765.60000112T7 V10 I11 Q45 L46 L51T7-T49 HydrophobicContact CG2-CG2 4.33Å; V10-T49 HydrophobicContact CB-CG2 4.21Å; V10-T49 HydrophobicContact CG1-CG2 3.86Å; I11-T49 HydrophobicContact CD1-CG2 4.47Å; I11-T49 HydrophobicContact CG1-CG2 3.63Å; Q45-T49 VanDerWaalsContact O-CB 3.25Å; Q45-T49 WeakPolarHBondContact O-CB 3.48Å; Q45-T49 VanDerWaalsContact O-CG2 3.24Å; Q45-T49 WeakPolarHBondContact O-CG2 3.47Å; Q45-T49 PolarHBondContact O-N 2.96Å; Q45-T49 PolarHBondContact O-OG1 2.87Å; L46-T49 VanDerWaalsContact O-O 3.06Å; T49-L51 PolarHBondContact O-N 3.45Å
50D80.4Confident79.2Confident96 Ų9666.7 Ų66.751%0.51332%0.32SS..THydrogen-bonded Turntrans-73.112.3175.8-75-41.2000113.3V52 K53 V54D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.46Å; D50-K53 HydrophobicContact CB-CD 4.48Å; D50-K53 WeakPolarHBondContact O-CA 3.41Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.11Å; D50-K53 WeakPolarHBondContact OD1-CD 3.27Å; D50-K53 WeakPolarHBondContact OD1-CE 3.47Å; D50-K53 IonicContact OD1-NZ 3.84Å; D50-K53 PolarHBondContact OD1-NZ 3.29Å; D50-V54 WeakPolarHBondContact O-CG2 3.41Å; D50-V54 PolarHBondContact O-N 3.41Å
51L81.3Confident79.8Confident0 Ų066.3 Ų66.30%032%0.321CS..Hα-helixtrans-55.9-41.8-176.1-174.465.9000112.4V10 A14 L17 L36 T49 K53 V54 L55 W78V10-L51 HydrophobicContact CG1-CD2 3.84Å; A14-L51 HydrophobicContact CB-CB 4.31Å; A14-L51 HydrophobicContact CB-CD1 3.87Å; L17-L51 HydrophobicContact CD1-CD1 3.81Å; L36-L51 HydrophobicContact CD1-CD1 4.18Å; L36-L51 HydrophobicContact CD2-CD2 4.25Å; T49-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.22Å; L51-V54 PolarHBondContact O-N 2.92Å; L51-L55 HydrophobicContact CG-CD1 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.2Å; L51-L55 PolarHBondContact O-N 3.13Å; L51-W78 HydrophobicContact CD2-CH2 3.66Å; L51-W78 HydrophobicContact CD2-CZ3 4.18Å; L51-W78 HydrophobicContact CG-CH2 4.35Å
52V84.3Confident79.8Confident41 Ų4166.5 Ų66.525%0.24832%0.322CS..Hα-helixtrans-61.7-42.6176.4176.30000111L46 D50 L55 Y56 L75L46-V52 HydrophobicContact CB-CG2 4.41Å; L46-V52 HydrophobicContact CD2-CG2 3.79Å; L46-V52 HydrophobicContact CG-CG2 4.34Å; D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.46Å; V52-L55 PolarHBondContact O-N 2.93Å; V52-Y56 HydrophobicContact CG1-CD2 3.74Å; V52-Y56 HydrophobicContact CG1-CE2 3.58Å; V52-Y56 WeakPolarHBondContact O-CD2 3.32Å; V52-Y56 PolarHBondContact O-N 2.94Å; V52-L75 HydrophobicContact CG1-CD2 4.03Å
53K85.6Confident79.8Confident142 Ų14268 Ų6862%0.61734%0.343SS*.Hα-helixtrans-66.6-41.4178.7-60.7179.5-168.7154.30110.9D50 L51 L55 Y56 K57D50-K53 HydrophobicContact CB-CD 4.48Å; D50-K53 WeakPolarHBondContact O-CA 3.41Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.11Å; D50-K53 WeakPolarHBondContact OD1-CD 3.27Å; D50-K53 WeakPolarHBondContact OD1-CE 3.47Å; D50-K53 IonicContact OD1-NZ 3.84Å; D50-K53 PolarHBondContact OD1-NZ 3.29Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.22Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 3.35Å; K53-Y56 PolarHBondContact O-N 3.14Å; K53-K57 WeakPolarHBondContact O-CB 3.23Å; K53-K57 PolarHBondContact O-N 3.18Å
54V85.4Confident80.1Confident7 Ų769 Ų694%0.04235%0.345CS..Hα-helixtrans-60.8-42.8175.4173.20000111A14 L17 E18 D50 L51 K57 L58A14-V54 HydrophobicContact CB-CG2 4.36Å; L17-V54 HydrophobicContact CB-CG1 3.76Å; E18-V54 HydrophobicContact CG-CB 4.17Å; E18-V54 HydrophobicContact CG-CG1 3.57Å; E18-V54 HydrophobicContact CG-CG2 3.53Å; D50-V54 WeakPolarHBondContact O-CG2 3.41Å; D50-V54 PolarHBondContact O-N 3.41Å; L51-V54 PolarHBondContact O-N 2.92Å; V54-K57 WeakPolarHBondContact O-CB 3.4Å; V54-K57 PolarHBondContact O-N 2.98Å; V54-L58 HydrophobicContact CG1-CD1 4.16Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.49Å
55L85.4Confident80.4Confident0 Ų066.8 Ų66.80%034%0.343CS..Hα-helixtrans-65.6-41.3175.9-69.6173.3000112.7L17 L33 L51 V52 K53 K57 L58 L59 A71 L75 W78L17-L55 HydrophobicContact CD1-CD2 4.16Å; L33-L55 HydrophobicContact CD2-CD2 3.45Å; L33-L55 VanDerWaalsContact CD2-CD2 3.45Å; L51-L55 HydrophobicContact CG-CD1 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.2Å; L51-L55 PolarHBondContact O-N 3.13Å; V52-L55 PolarHBondContact O-N 2.93Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-L55 PolarHBondContact O-N 3.35Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.4Å; L55-L58 HydrophobicContact CD2-CD1 4.12Å; L55-L58 WeakPolarHBondContact O-CB 3.3Å; L55-L58 PolarHBondContact O-N 2.96Å; L55-L59 WeakPolarHBondContact O-CG 3.37Å; L55-L59 PolarHBondContact O-N 2.9Å; L55-A71 HydrophobicContact CD2-CB 4.32Å; L55-L75 HydrophobicContact CB-CD1 4.19Å; L55-L75 HydrophobicContact CB-CD2 4.41Å; L55-L75 HydrophobicContact CB-CG 4.41Å; L55-L75 HydrophobicContact CD1-CD2 4.28Å; L55-L75 HydrophobicContact CD1-CG 4.34Å; L55-W78 HydrophobicContact CD1-CE3 4.37Å; L55-W78 HydrophobicContact CD1-CH2 3.94Å; L55-W78 HydrophobicContact CD1-CZ3 3.41Å; L55-W78 VanDerWaalsContact CD1-CZ3 3.41Å
56Y86.7Confident80.7Confident141 Ų14168.5 Ų68.555%0.55336%0.357SS*.Hα-helixtrans-64.5-36.8173.9-83.6-66.7000112.6V52 K53 L59 K60 L75V52-Y56 HydrophobicContact CG1-CD2 3.74Å; V52-Y56 HydrophobicContact CG1-CE2 3.58Å; V52-Y56 WeakPolarHBondContact O-CD2 3.32Å; V52-Y56 PolarHBondContact O-N 2.94Å; K53-Y56 PolarHBondContact O-N 3.14Å; Y56-L59 HydrophobicContact CD1-CD1 4.23Å; Y56-L59 PolarHBondContact O-N 3.22Å; Y56-K60 PolarHBondContact O-N 3.47Å; Y56-L75 HydrophobicContact CD1-CD1 4.41Å; Y56-L75 HydrophobicContact CD2-CD2 4.48Å; Y56-L75 HydrophobicContact CE1-CD1 4.19Å; Y56-L75 HydrophobicContact CE2-CD1 4.42Å; Y56-L75 HydrophobicContact CE2-CD2 4Å
57K86.1Confident81.2Confident113 Ų11367.6 Ų67.649%0.49135%0.352SS..Hα-helixtrans-65.2-46173.7-175176.3169.2-170.10110.7E18 K53 V54 L55 L59 K60 T61E18-K57 IonicContact OE1-NZ 3.73Å; E18-K57 PolarHBondContact OE1-NZ 2.96Å; K53-K57 WeakPolarHBondContact O-CB 3.23Å; K53-K57 PolarHBondContact O-N 3.18Å; V54-K57 WeakPolarHBondContact O-CB 3.4Å; V54-K57 PolarHBondContact O-N 2.98Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.4Å; K57-L59 VanDerWaalsContact C-N 3.34Å; K57-L59 PolarHBondContact O-N 3.33Å; K57-K60 WeakPolarHBondContact O-CA 3.36Å; K57-K60 WeakPolarHBondContact O-CB 3.37Å; K57-K60 PolarHBondContact O-N 2.72Å; K57-T61 HydrophobicContact CG-CG2 4.37Å; K57-T61 WeakPolarHBondContact O-CG2 3.49Å; K57-T61 PolarHBondContact O-N 2.94Å; K57-T61 PolarHBondContact O-OG1 3.45Å
58L84.1Confident81.7Confident3 Ų364.7 Ų64.72%0.01634%0.335CS..Hα-helixtrans-55.5-44172.8-85.5167.4000112.6L17 A21 I29 V54 L55 K60 T61 C62L17-L58 HydrophobicContact CB-CD1 4.06Å; L17-L58 HydrophobicContact CD1-CD1 4.34Å; L17-L58 HydrophobicContact CD2-CD1 3.94Å; L17-L58 HydrophobicContact CG-CD1 4.34Å; A21-L58 HydrophobicContact CB-CD2 3.43Å; A21-L58 VanDerWaalsContact CB-CD2 3.43Å; A21-L58 HydrophobicContact CB-CG 4.32Å; I29-L58 HydrophobicContact CD1-CD2 4.32Å; V54-L58 HydrophobicContact CG1-CD1 4.16Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.49Å; L55-L58 HydrophobicContact CD2-CD1 4.12Å; L55-L58 WeakPolarHBondContact O-CB 3.3Å; L55-L58 PolarHBondContact O-N 2.96Å; L58-K60 PolarHBondContact O-N 3.16Å; L58-T61 PolarHBondContact O-N 3.32Å; L58-C62 VanDerWaalsContact O-CB 3.24Å; L58-C62 WeakPolarHBondContact O-CB 3.44Å; L58-C62 PolarHBondContact O-N 2.95Å
59L85.2Confident82.5Confident29 Ų2964.4 Ų64.415%0.15233%0.329CS..Hα-helixtrans-59.9-30.2176.2-73.3178.6000113.1L55 Y56 K57 R68 A71 K72 L75L55-L59 WeakPolarHBondContact O-CG 3.37Å; L55-L59 PolarHBondContact O-N 2.9Å; Y56-L59 HydrophobicContact CD1-CD1 4.23Å; Y56-L59 PolarHBondContact O-N 3.22Å; K57-L59 VanDerWaalsContact C-N 3.34Å; K57-L59 PolarHBondContact O-N 3.33Å; L59-R68 HydrophobicContact CD2-CB 4.27Å; L59-R68 HydrophobicContact CD2-CG 3.46Å; L59-R68 VanDerWaalsContact CD2-CG 3.46Å; L59-R68 VanDerWaalsContact CD2-O 3.29Å; L59-R68 WeakPolarHBondContact CD2-O 3.33Å; L59-A71 HydrophobicContact CD2-CB 3.77Å; L59-A71 HydrophobicContact CG-CB 4.25Å; L59-K72 HydrophobicContact CD1-CG 4.08Å; L59-K72 HydrophobicContact CD2-CG 3.71Å; L59-L75 HydrophobicContact CD1-CD1 3.64Å
60K84.7Confident82.7Confident190 Ų19066.7 Ų66.783%0.82634%0.34SS*.Hα-helixtrans-88.2-33.8-178.4-169.1174.6-177.9178.50112.7Y56 K57 L58Y56-K60 PolarHBondContact O-N 3.47Å; K57-K60 WeakPolarHBondContact O-CA 3.36Å; K57-K60 WeakPolarHBondContact O-CB 3.37Å; K57-K60 PolarHBondContact O-N 2.72Å; L58-K60 PolarHBondContact O-N 3.16Å
61T78.3Confident83Confident88 Ų8862.2 Ų62.254%0.5432%0.316SS..Hα-helixtrans-96.8-26.1-174.257.60000114K57 L58K57-T61 HydrophobicContact CG-CG2 4.37Å; K57-T61 WeakPolarHBondContact O-CG2 3.49Å; K57-T61 PolarHBondContact O-N 2.94Å; K57-T61 PolarHBondContact O-OG1 3.45Å; L58-T61 PolarHBondContact O-N 3.32Å
62C76.3Confident83.2Confident5 Ų566.6 Ų66.63%0.03434%0.335CS..  trans-79.9129.4179.4-79.50000112.3F26 L58 R68F26-C62 HydrophobicContact CE1-CB 4.33Å; L58-C62 VanDerWaalsContact O-CB 3.24Å; L58-C62 WeakPolarHBondContact O-CB 3.44Å; L58-C62 PolarHBondContact O-N 2.95Å; C62-R68 PolarHBondContact O-NH2 3.17Å
63G74.3Confident83.3Confident67 Ų6767.1 Ų67.169%0.69134%0.34SS*.  trans-82.9-13.8171.600000114.4
64E80Confident83.3Confident52 Ų5260.4 Ų60.424%0.24331%0.311CS..  trans-84.2128.1-173.5-160.9-77.8127.400111.2F26 S66 V67 R68F26-E64 HydrophobicContact CB-CB 4.41Å; F26-E64 HydrophobicContact CB-CG 4.12Å; F26-E64 HydrophobicContact CD1-CB 3.66Å; F26-E64 HydrophobicContact CD1-CG 4.3Å; F26-E64 HydrophobicContact CD2-CB 4.33Å; F26-E64 HydrophobicContact CD2-CG 4.44Å; F26-E64 HydrophobicContact CE1-CB 3.97Å; F26-E64 HydrophobicContact CG-CB 3.86Å; F26-E64 HydrophobicContact CG-CG 4.03Å; F26-E64 HydrophobicContact CZ-CB 4.43Å; E64-S66 WeakPolarHBondContact OE1-CB 3.42Å; E64-S66 PolarHBondContact OE1-N 2.97Å; E64-S66 PolarHBondContact OE1-OG 3.15Å; E64-S66 PolarHBondContact OE2-N 3.41Å; E64-S66 PolarHBondContact OE2-OG 2.65Å; E64-V67 WeakPolarHBondContact OE2-CB 3.49Å; E64-V67 WeakPolarHBondContact OE2-CG2 3.27Å; E64-V67 PolarHBondContact OE2-N 3.07Å; E64-R68 PolarHBondContact O-N 2.67Å
65S79.3Confident83.4Confident71 Ų7161 Ų6150%0.49731%0.314SS..Hα-helixtrans-79.5-24.6-166.777.60000113.8K69S65-K69 VanDerWaalsContact O-CG 3.25Å; S65-K69 WeakPolarHBondContact O-CG 2.94Å; S65-K69 PolarHBondContact O-N 3.19Å
66S82.2Confident83.4Confident55 Ų5564.6 Ų64.639%0.38534%0.34SS..Hα-helixtrans-77.6-46.3-179.274.80000111.8E64 R68 K69 M70E64-S66 WeakPolarHBondContact OE1-CB 3.42Å; E64-S66 PolarHBondContact OE1-N 2.97Å; E64-S66 PolarHBondContact OE1-OG 3.15Å; E64-S66 PolarHBondContact OE2-N 3.41Å; E64-S66 PolarHBondContact OE2-OG 2.65Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.17Å; S66-K69 PolarHBondContact O-N 3.44Å; S66-K69 VanDerWaalsContact O-N 3.13Å; S66-M70 PolarHBondContact O-N 3.2Å
67V84.5Confident83.3Confident2 Ų262.9 Ų62.91%0.01233%0.332CS..Hα-helixtrans-56.7-42.7171.7166.70000110.6F26 I29 S30 L33 E64 K69 M70 A71F26-V67 HydrophobicContact CB-CG2 4.41Å; I29-V67 HydrophobicContact CB-CG2 4.36Å; I29-V67 HydrophobicContact CG2-CG1 3.58Å; I29-V67 HydrophobicContact CG2-CG2 4.03Å; S30-V67 VanDerWaalsContact OG-CG2 3.23Å; S30-V67 WeakPolarHBondContact OG-CG2 3.32Å; L33-V67 HydrophobicContact CD1-CG1 4.01Å; E64-V67 WeakPolarHBondContact OE2-CB 3.49Å; E64-V67 WeakPolarHBondContact OE2-CG2 3.27Å; E64-V67 PolarHBondContact OE2-N 3.07Å; V67-K69 PolarHBondContact O-N 2.59Å; V67-M70 PolarHBondContact O-N 3.43Å; V67-A71 WeakPolarHBondContact O-CB 3.48Å; V67-A71 PolarHBondContact O-N 3.34Å
68R83.3Confident83.3Confident95 Ų9558.2 Ų58.236%0.35831%0.311SS..Hα-helixtrans-63.4-41.4178-165.8-174.8-65.2164.32.8112.3L59 C62 E64 S66 K72L59-R68 HydrophobicContact CD2-CB 4.27Å; L59-R68 HydrophobicContact CD2-CG 3.46Å; L59-R68 VanDerWaalsContact CD2-CG 3.46Å; L59-R68 VanDerWaalsContact CD2-O 3.29Å; L59-R68 WeakPolarHBondContact CD2-O 3.33Å; C62-R68 PolarHBondContact O-NH2 3.17Å; E64-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.17Å; R68-K72 WeakPolarHBondContact O-CB 3.38Å; R68-K72 VanDerWaalsContact O-CG 3.31Å; R68-K72 WeakPolarHBondContact O-CG 3.48Å; R68-K72 PolarHBondContact O-N 3.17Å
69K85.6Confident83.3Confident147 Ų14766 Ų6664%0.63935%0.345SS*.Hα-helixtrans-66.3-42.7177.1-75.6169.8-177.2175.70111.1S65 S66 V67 K72 S73S65-K69 VanDerWaalsContact O-CG 3.25Å; S65-K69 WeakPolarHBondContact O-CG 2.94Å; S65-K69 PolarHBondContact O-N 3.19Å; S66-K69 PolarHBondContact O-N 3.44Å; S66-K69 VanDerWaalsContact O-N 3.13Å; V67-K69 PolarHBondContact O-N 2.59Å; K69-K72 PolarHBondContact O-N 3.47Å; K69-S73 PolarHBondContact O-N 3.01Å
70M83.4Confident83.2Confident57 Ų5774.6 Ų74.628%0.28138%0.376SS..Hα-helixtrans-63.1-50.4178.8-165.9174.5-71.800111.2L33 S66 V67 K72 S73 L74L33-M70 HydrophobicContact CB-CG 4.03Å; L33-M70 HydrophobicContact CB-SD 3.58Å; L33-M70 VanDerWaalsContact CB-SD 3.58Å; L33-M70 HydrophobicContact CD1-CB 4.33Å; L33-M70 HydrophobicContact CD1-CG 4.37Å; L33-M70 HydrophobicContact CD1-SD 4.36Å; S66-M70 PolarHBondContact O-N 3.2Å; V67-M70 PolarHBondContact O-N 3.43Å; M70-K72 PolarHBondContact O-N 3.07Å; M70-S73 PolarHBondContact O-N 2.83Å; M70-S73 VanDerWaalsContact O-N 3.11Å; M70-S73 PolarHBondContact O-OG 3.11Å; M70-L74 PolarHBondContact O-N 2.79Å
71A86.1Confident82.7Confident1 Ų170.1 Ų70.11%0.00836%0.357CS..Hα-helixtrans-59.9-40.3175.300000112.9L33 L55 L59 V67 L74 L75L33-A71 HydrophobicContact CD1-CB 4.32Å; L55-A71 HydrophobicContact CD2-CB 4.32Å; L59-A71 HydrophobicContact CD2-CB 3.77Å; L59-A71 HydrophobicContact CG-CB 4.25Å; V67-A71 WeakPolarHBondContact O-CB 3.48Å; V67-A71 PolarHBondContact O-N 3.34Å; A71-L74 PolarHBondContact O-N 3.25Å; A71-L75 WeakPolarHBondContact O-CG 3.35Å; A71-L75 PolarHBondContact O-N 2.99Å; A71-L75 VanDerWaalsContact O-N 3.08Å
72K86Confident82.5Confident92 Ų9268.3 Ų68.340%0.434%0.341SS..Hα-helixtrans-62.7-41.3173.7-78.9-177-179.3-172.90112.1L59 R68 K69 M70 S76 E102L59-K72 HydrophobicContact CD1-CG 4.08Å; L59-K72 HydrophobicContact CD2-CG 3.71Å; R68-K72 WeakPolarHBondContact O-CB 3.38Å; R68-K72 VanDerWaalsContact O-CG 3.31Å; R68-K72 WeakPolarHBondContact O-CG 3.48Å; R68-K72 PolarHBondContact O-N 3.17Å; K69-K72 PolarHBondContact O-N 3.47Å; M70-K72 PolarHBondContact O-N 3.07Å; K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 2.87Å; K72-S76 PolarHBondContact O-OG 3.32Å; K72-E102 IonicContact NZ-OE1 3.24Å
73S86.4Confident81.9Confident52 Ų5270.3 Ų70.336%0.36436%0.363SS..Hα-helixtrans-66.5-39.6179.3710000112.4K69 M70 S76 R77K69-S73 PolarHBondContact O-N 3.01Å; M70-S73 PolarHBondContact O-N 2.83Å; M70-S73 VanDerWaalsContact O-N 3.11Å; M70-S73 PolarHBondContact O-OG 3.11Å; S73-S76 PolarHBondContact O-N 3.35Å; S73-R77 WeakPolarHBondContact O-CB 3.22Å; S73-R77 PolarHBondContact O-N 3.27Å
74L86.9Confident81.1Confident1 Ų173 Ų731%0.00536%0.361CS..Hα-helixtrans-61.2-53.3174.7-84163.8000111.7L33 D37 M70 A71 S76 R77 W78L33-L74 HydrophobicContact CB-CD1 4.04Å; L33-L74 HydrophobicContact CD2-CD1 3.86Å; L33-L74 HydrophobicContact CG-CD1 4.47Å; D37-L74 HydrophobicContact CB-CD2 3.73Å; D37-L74 WeakPolarHBondContact OD1-CD2 3.32Å; M70-L74 PolarHBondContact O-N 2.79Å; A71-L74 PolarHBondContact O-N 3.25Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 2.99Å; L74-R77 WeakPolarHBondContact O-CB 3.47Å; L74-R77 PolarHBondContact O-N 2.94Å; L74-R77 VanDerWaalsContact O-N 3.08Å; L74-W78 HydrophobicContact CD2-CZ2 4.19Å; L74-W78 PolarHBondContact O-N 3.25Å
75L86.7Confident79.7Confident19 Ų1978 Ų7810%0.09939%0.385CS..Hα-helixtrans-58.5-38.8177.4-75.3164.2000112.2V52 L55 Y56 L59 A71 K79V52-L75 HydrophobicContact CG1-CD2 4.03Å; L55-L75 HydrophobicContact CB-CD1 4.19Å; L55-L75 HydrophobicContact CB-CD2 4.41Å; L55-L75 HydrophobicContact CB-CG 4.41Å; L55-L75 HydrophobicContact CD1-CD2 4.28Å; L55-L75 HydrophobicContact CD1-CG 4.34Å; Y56-L75 HydrophobicContact CD1-CD1 4.41Å; Y56-L75 HydrophobicContact CD2-CD2 4.48Å; Y56-L75 HydrophobicContact CE1-CD1 4.19Å; Y56-L75 HydrophobicContact CE2-CD1 4.42Å; Y56-L75 HydrophobicContact CE2-CD2 4Å; L59-L75 HydrophobicContact CD1-CD1 3.64Å; A71-L75 WeakPolarHBondContact O-CG 3.35Å; A71-L75 PolarHBondContact O-N 2.99Å; A71-L75 VanDerWaalsContact O-N 3.08Å; L75-K79 VanDerWaalsContact O-CB 3.25Å; L75-K79 WeakPolarHBondContact O-CB 3.33Å; L75-K79 PolarHBondContact O-N 3.27Å
76S86.3Confident78.1Confident77 Ų7784.9 Ų84.954%0.53840%0.4SS..Hα-helixtrans-67.4-38.5177.4-59.50000112K72 S73 L74 R80K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 2.87Å; K72-S76 PolarHBondContact O-OG 3.32Å; S73-S76 PolarHBondContact O-N 3.35Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 2.99Å; S76-R80 PolarHBondContact O-N 3.01Å; S76-R80 VanDerWaalsContact O-N 3.08Å
77R84.6Confident76.3Confident105 Ų10592.6 Ų92.640%0.39642%0.42SS..Hα-helixtrans-66.6-49.6177.8-166.1-179.1-56.8179.613.2111D37 S73 L74 K79 R80 Q81D37-R77 IonicContact OD1-CZ 3.65Å; D37-R77 IonicContact OD1-NE 3.39Å; D37-R77 IonicContact OD1-NH1 3.52Å; D37-R77 PolarHBondContact OD1-NH1 3.39Å; D37-R77 IonicContact OD1-NH2 2.77Å; D37-R77 PolarHBondContact OD1-NH2 3.24Å; D37-R77 VanDerWaalsContact OD1-NH2 3.12Å; D37-R77 IonicContact OD2-CZ 3.64Å; D37-R77 IonicContact OD2-NH1 2.75Å; D37-R77 PolarHBondContact OD2-NH1 3Å; D37-R77 IonicContact OD2-NH2 3.83Å; D37-R77 PolarHBondContact OD2-NH2 3.23Å; S73-R77 WeakPolarHBondContact O-CB 3.22Å; S73-R77 PolarHBondContact O-N 3.27Å; L74-R77 WeakPolarHBondContact O-CB 3.47Å; L74-R77 PolarHBondContact O-N 2.94Å; L74-R77 VanDerWaalsContact O-N 3.08Å; R77-K79 VanDerWaalsContact C-N 3.33Å; R77-K79 PolarHBondContact O-N 3.28Å; R77-R80 WeakPolarHBondContact O-CB 3.41Å; R77-R80 PolarHBondContact O-N 3.09Å; R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 2.87Å
78W85.7Confident73.8Confident15 Ų1596 Ų966%0.05746%0.457CS..Hα-helixtrans-62.1-39.5176.4-65.6-25.5000112.4V41 L46 L51 L55 L74 R80 Q81 Y82V41-W78 HydrophobicContact CB-CZ2 4.41Å; V41-W78 HydrophobicContact CG2-CZ2 4.05Å; L46-W78 HydrophobicContact CD1-CD2 4.45Å; L46-W78 HydrophobicContact CD2-CB 3.9Å; L46-W78 HydrophobicContact CD2-CD2 3.64Å; L46-W78 HydrophobicContact CD2-CE3 3.4Å; L46-W78 VanDerWaalsContact CD2-CE3 3.4Å; L46-W78 HydrophobicContact CD2-CG 3.88Å; L46-W78 HydrophobicContact CD2-CZ3 4.03Å; L46-W78 HydrophobicContact CG-CD2 4.49Å; L46-W78 HydrophobicContact CG-CE3 4.32Å; L51-W78 HydrophobicContact CD2-CH2 3.66Å; L51-W78 HydrophobicContact CD2-CZ3 4.18Å; L51-W78 HydrophobicContact CG-CH2 4.35Å; L55-W78 HydrophobicContact CD1-CE3 4.37Å; L55-W78 HydrophobicContact CD1-CH2 3.94Å; L55-W78 HydrophobicContact CD1-CZ3 3.41Å; L55-W78 VanDerWaalsContact CD1-CZ3 3.41Å; L74-W78 HydrophobicContact CD2-CZ2 4.19Å; L74-W78 PolarHBondContact O-N 3.25Å; W78-R80 VanDerWaalsContact C-N 3.28Å; W78-R80 PolarHBondContact O-N 3.46Å; W78-Q81 PolarHBondContact O-N 2.9Å; W78-Y82 HydrophobicContact CB-CD2 4.05Å; W78-Y82 HydrophobicContact CB-CE2 4.09Å; W78-Y82 HydrophobicContact CG-CE2 4.22Å; W78-Y82 WeakPolarHBondContact O-CB 3.5Å; W78-Y82 WeakPolarHBondContact O-CD2 3.4Å; W78-Y82 PolarHBondContact O-N 3.43Å
79K82.6Confident71.6Confident166 Ų16699.3 Ų99.372%0.72248%0.481SS*.Hα-helixtrans-60.6-36.6173.1-174.4176.7-178.8179.30112.5L75 R77 G83L75-K79 VanDerWaalsContact O-CB 3.25Å; L75-K79 WeakPolarHBondContact O-CB 3.33Å; L75-K79 PolarHBondContact O-N 3.27Å; R77-K79 VanDerWaalsContact C-N 3.33Å; R77-K79 PolarHBondContact O-N 3.28Å; K79-G83 VanDerWaalsContact O-CA 3.22Å; K79-G83 WeakPolarHBondContact O-CA 3.26Å; K79-G83 PolarHBondContact O-N 3.38Å
80R83.3Confident69.1Low210 Ų21098.2 Ų98.279%0.79249%0.492SS*.Hα-helixtrans-75-36.8177.2-161.3174.3102-138.96.4112.2S76 R77 W78S76-R80 PolarHBondContact O-N 3.01Å; S76-R80 VanDerWaalsContact O-N 3.08Å; R77-R80 WeakPolarHBondContact O-CB 3.41Å; R77-R80 PolarHBondContact O-N 3.09Å; W78-R80 VanDerWaalsContact C-N 3.28Å; W78-R80 PolarHBondContact O-N 3.46Å
81Q75.8Confident66.7Low95 Ų9598.9 Ų98.944%0.44451%0.513SS..Hα-helixtrans-72.2-39.2-178.4-166.5169-7.400111.9R77 W78R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 2.87Å; W78-Q81 PolarHBondContact O-N 2.9Å
82Y73.6Confident64.2Low50 Ų50106.2 Ų106.220%0.19655%0.552CS.*Hα-helixtrans-108-13.1-174.9-52-51000114.3V41 P43 L46 W78 N84V41-Y82 PolarHBondContact O-OH 2.88Å; P43-Y82 HydrophobicContact CB-CD1 3.46Å; P43-Y82 VanDerWaalsContact CB-CD1 3.46Å; P43-Y82 HydrophobicContact CB-CD2 4.35Å; P43-Y82 HydrophobicContact CB-CE1 3.77Å; P43-Y82 HydrophobicContact CB-CG 3.8Å; P43-Y82 VanDerWaalsContact CD-CE1 3.42Å; P43-Y82 HydrophobicContact CG-CD1 3.71Å; P43-Y82 HydrophobicContact CG-CE1 3.7Å; L46-Y82 HydrophobicContact CD1-CD2 4.48Å; L46-Y82 HydrophobicContact CD1-CE2 3.82Å; L46-Y82 HydrophobicContact CD2-CD2 4.5Å; L46-Y82 HydrophobicContact CD2-CE2 4.45Å; W78-Y82 HydrophobicContact CB-CD2 4.05Å; W78-Y82 HydrophobicContact CB-CE2 4.09Å; W78-Y82 HydrophobicContact CG-CE2 4.22Å; W78-Y82 WeakPolarHBondContact O-CB 3.5Å; W78-Y82 WeakPolarHBondContact O-CD2 3.4Å; W78-Y82 PolarHBondContact O-N 3.43Å; Y82-N84 PolarHBondContact O-N 3.45Å
83G63Low61.6Low48 Ų48106.8 Ų106.850%0.49557%0.568SS.*THydrogen-bonded Turntrans-71.9-12.8177.400000114.5K79K79-G83 VanDerWaalsContact O-CA 3.22Å; K79-G83 WeakPolarHBondContact O-CA 3.26Å; K79-G83 PolarHBondContact O-N 3.38Å
84N57.1Low59Low123 Ų123113.3 Ų113.366%0.65859%0.593SS**THydrogen-bonded Turntrans-88.6-17.4-175.1-139.221.7000113.6Y82 R86 R87Y82-N84 PolarHBondContact O-N 3.45Å; N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.29Å; N84-R87 PolarHBondContact O-N 3.3Å
85E50.8Low56.4Low156 Ų156118 Ų11873%0.72963%0.632SS**THydrogen-bonded Turntrans-74.7-13.7180-74.6-167.195.400114.1
86R45.6Very low53.6Low217 Ų217124.2 Ų124.282%0.81967%0.67SS**THydrogen-bonded Turntrans-95.58174.5-65.3-166.5-176.7-1643.8114.4N84N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.29Å
87R44.7Very low50.9Low216 Ų216125.6 Ų125.682%0.81568%0.68SS**  trans-126.463.9175.9-87.7-174.3170.7-149-1.5111.3N84N84-R87 PolarHBondContact O-N 3.3Å
88G33.2Very low48.3Very low75 Ų75126.7 Ų126.777%0.77370%0.704SS**  trans-81.2123.4158.300000110.4
89N37.5Very low45.4Very low164 Ų164129.7 Ų129.788%0.87774%0.739SS**SBendtrans91.474.7166.2-14270000118.7
90S33.1Very low42.9Very low123 Ų123130.1 Ų130.186%0.8675%0.749SS**  -172.3139.5117.1-148.80000110.3
91G32.9Very low40.2Very low71 Ų71127 Ų12773%0.73275%0.753SS**  trans-73156.5-165.500000116.7
92N31.8Very low37.9Very low155 Ų155130 Ų13083%0.82977%0.767SS**  trans53.7106.7146.9-152.845.3000119.2
93S33Very low35.7Very low105 Ų105135.1 Ų135.173%0.73480%0.798SS**  -174.8121.3119.7-79.10000112.2
94Q31.1Very low33.9Very low188 Ų188136.6 Ų136.688%0.87981%0.813SS**  trans37.1129.2146.8-79.3176.3-27.100122.3
95A31.7Very low32.4Very low99 Ų99134 Ų13482%0.81882%0.815SS**  trans-58.6134.4163.700000113
96V29.1Very low31.5Very low151 Ų151133.2 Ų133.292%0.91582%0.821SS**  trans-146.2130138-820000109.2
97S28.9Very low30.9Very low106 Ų106128.2 Ų128.274%0.74182%0.819SS**  trans-88.1152.3178.8490000112.4
98S30.7Very low30.2Very low128 Ų128126.7 Ų126.790%0.89582%0.819SS**  trans88.2119.8149.6-580000118.9
99G24.9Very low29.8Very low78 Ų78128.4 Ų128.480%0.80481%0.81SS**  trans166.764.3170.500000111.7
100L29.6Very low29.3Very low175 Ų175125.9 Ų125.992%0.91681%0.805SS**  trans-66.4135.3172.8-66.9164.2000110.4
101T26.5Very low29Very low143 Ų143124.5 Ų124.588%0.87780%0.801SS**  trans-150.4128.2139.4310000110
102E27.7Very low28.9Very low160 Ų160129.8 Ų129.875%0.74881%0.807SS**  trans-52.7151.8159.5-62.5165.2139.600108.3K72K72-E102 IonicContact NZ-OE1 3.24Å
103D26Very low28.5Very low156 Ų156128.5 Ų128.583%0.83481%0.805SS**  cis-169.9148.348.5-173.6-105.5000108.5
104G26.3Very low28.1Very low80 Ų80127.3 Ų127.383%0.82581%0.81SS**  trans-156.485.1177.300000109.3
105G26.4Very low27.7Very low68 Ų68122.2 Ų122.270%0.70181%0.807SS**  trans-123.5123.1176.600000111.9
106V30.4Very low27.5Very low140 Ų140125.3 Ų125.385%0.84881%0.81SS**  trans-72.7150.2-171.2161.40000114.5
107S33.8Very low27.4Very low112 Ų112128.1 Ų128.178%0.78381%0.81SS**  trans-12.9138.5161.3-54.50000120.9
108K28.9Very low27.3Very low184 Ų184131.7 Ų131.780%0.882%0.815SS**  trans-157.2149.5141.7-104.5-177.4158.6-116.30105.2
109D25.1Very low27.1Very low110 Ų110134.4 Ų134.459%0.58881%0.813SS**  cis-168.1159.512.3-124.5-41.2000106.8
110S28.3Very low27.2Very low111 Ų111141.3 Ų141.378%0.77682%0.815SS**  trans62.9134.4140.3-66.30000123.2
111A26.8Very low27Very low95 Ų95137.8 Ų137.879%0.78581%0.811SS**  trans-76.9141.2167.100000112.1
112Q29.1Very low27Very low181 Ų181136.5 Ų136.585%0.84681%0.808SS**  175.9130.9121.4-102.6-178.92.600113
113T25Very low26.9Very low128 Ų128132.2 Ų132.279%0.78581%0.807SS**  trans70.9105.5135.5-400000121.1
114G23Very low27.1Very low81 Ų81134.1 Ų134.184%0.83581%0.811SS**  80.9122.3114.600000119.7
115G23.3Very low27.5Very low80 Ų80139.2 Ų139.283%0.82581%0.813SS**  trans158.994.1159.500000114.3
116N26.9Very low27.6Very low165 Ų165147.9 Ų147.988%0.88283%0.825SS**  trans-55.7145.6169.4-77.9-11.2000112.6
117K27.6Very low27.8Very low209 Ų209149.5 Ų149.591%0.90982%0.823SS**  trans-157.7118.5135.4-112.9175.6-178.1-175.10111.1
118E26.4Very low27.5Very low181 Ų181150.6 Ų150.685%0.84683%0.825SS**  trans-75.8155.3163.6-66.4174.3134.500110.6
119E28Very low28.4Very low186 Ų186146.9 Ų146.987%0.86982%0.82SS**  trans142.5147.4148.4-84.4-169.5125.400109.9
120R25.5Very low28.9Very low223 Ų223147.1 Ų147.184%0.84283%0.825SS**  cis-179.4140.6-30.8-151.4-176.6-175.2-166.71.7104.3
121A26.7Very low29.2Very low101 Ų101149.5 Ų149.584%0.83583%0.83SS**  trans61.915615800000117.3
122S26.3Very low30Very low116 Ų116153.6 Ų153.681%0.81183%0.832SS**  cis-158.4139.15.2-169.70000104.2
123G25.1Very low30.4Very low70 Ų70150.9 Ų150.972%0.72283%0.828SS**  85119.996.400000113.9
124Q29.8Very low31.3Very low196 Ų196151.8 Ų151.892%0.91683%0.834SS**  trans124.6125.5138.1-121.5167.74.600118.1
125E35.5Very low32.4Very low186 Ų186152.2 Ų152.287%0.86982%0.824SS**  trans-62.3145.6176.8-62163.6120.600112.8
126R28.2Very low33.7Very low250 Ų250153 Ų15394%0.94382%0.815SS**  trans-160.4121.4140.7-128.2174.2-176.5-167.1-0.5111.9
127E34.4Very low35.4Very low175 Ų175148.4 Ų148.482%0.81880%0.795SS**  trans-75.9168.5167.1-63.2-175.1140.500112
128T28.2Very low37.5Very low134 Ų134141.7 Ų141.782%0.82278%0.775SS**  trans106.3151.7164.474.10000115.7
129P46.4Very low40Very low107 Ų107137.3 Ų137.370%0.69576%0.757SS**  -127.8-179.8-92.124.8-0.7000112.5
130T36.3Very low42.9Very low114 Ų114130.9 Ų130.970%0.69973%0.733SS**  trans62.6109.3160.234.60000118.1
131N33.9Very low46Very low162 Ų162122 Ų12287%0.86670%0.703SS**  -159.5120.5119.8-99.9-17000111T133N131-T133 PolarHBondContact O-N 3.02Å
132E44.8Very low49.1Very low181 Ų181120.2 Ų120.285%0.84668%0.675SS**  trans-70.4115.8177.4-53.4-170.9179.400108.8
133T36.6Very low52.4Low124 Ų124118.6 Ų118.676%0.76166%0.66SS**  trans-138.8111.8161.8-63.60000105.8N131 S135N131-T133 PolarHBondContact O-N 3.02Å; T133-S135 PolarHBondContact O-N 2.84Å
134T44.3Very low55.7Low146 Ų146120.7 Ų120.790%0.89665%0.649SS**  trans-60.576.6-172.1-43.50000111.9
135S46.4Very low58.8Low91 Ų91111.9 Ų111.964%0.63661%0.609SS**PPolyproline II helixtrans-86.3137.2151.455.90000106.8T133 S137T133-S135 PolarHBondContact O-N 2.84Å; S135-S137 PolarHBondContact O-N 3.25Å
136P50.7Low61.7Low97 Ų97104.2 Ų104.263%0.6358%0.575SS**PPolyproline II helixtrans-57.1116.9175.322.5-30.5000107.5S140P136-S140 VanDerWaalsContact CB-OG 3.28Å; P136-S140 WeakPolarHBondContact CB-OG 3.39Å
137S63Low64.9Low67 Ų6796.9 Ų96.947%0.46955%0.551SS.*PPolyproline II helixtrans-51.3147.517966.50000109.4S135 D139 S140 V141S135-S137 PolarHBondContact O-N 3.25Å; S137-D139 PolarHBondContact O-N 2.86Å; S137-S140 PolarHBondContact N-OG 3.3Å; S137-S140 WeakPolarHBondContact O-CB 3.24Å; S137-S140 PolarHBondContact O-N 3.26Å; S137-S140 PolarHBondContact O-OG 2.94Å; S137-S140 PolarHBondContact OG-N 3.29Å; S137-V141 PolarHBondContact O-N 3.38Å
138S70.6Confident67.8Low68 Ų6892.4 Ų92.448%0.47653%0.532SS..Hα-helixtrans-48.5-33.2176520000111.9V141 R142S138-V141 PolarHBondContact O-N 3.34Å; S138-R142 VanDerWaalsContact O-CG 3.24Å; S138-R142 WeakPolarHBondContact O-CG 3.49Å; S138-R142 PolarHBondContact O-N 3.46Å; S138-R142 VanDerWaalsContact O-N 3.16Å
139D79.4Confident70.9Confident89 Ų8986 Ų8648%0.47649%0.493SS..Hα-helixtrans-71.8-36.2179.6-61.3-29.9000112.9S137 V141 R142 T143S137-D139 PolarHBondContact O-N 2.86Å; D139-V141 VanDerWaalsContact C-N 3.3Å; D139-V141 PolarHBondContact O-N 3.24Å; D139-R142 PolarHBondContact O-N 3.41Å; D139-R142 IonicContact OD1-NH1 3.25Å; D139-T143 PolarHBondContact O-N 2.98Å; D139-T143 PolarHBondContact O-OG1 3.36Å
140S88Confident73.2Confident51 Ų5183 Ų8336%0.35747%0.471SS..Hα-helixtrans-60.7-38.9174.471.80000112.6P136 S137 K144P136-S140 VanDerWaalsContact CB-OG 3.28Å; P136-S140 WeakPolarHBondContact CB-OG 3.39Å; S137-S140 PolarHBondContact N-OG 3.3Å; S137-S140 WeakPolarHBondContact O-CB 3.24Å; S137-S140 PolarHBondContact O-N 3.26Å; S137-S140 PolarHBondContact O-OG 2.94Å; S137-S140 PolarHBondContact OG-N 3.29Å; S140-K144 PolarHBondContact O-N 2.81Å; S140-K144 VanDerWaalsContact O-N 3.15Å
141V90.6Very high75.8Confident37 Ų3780.1 Ų80.122%0.22446%0.459CS..Hα-helixtrans-68.8-41.7176.7177.20000110.4S137 S138 D139 K144 C145S137-V141 PolarHBondContact O-N 3.38Å; S138-V141 PolarHBondContact O-N 3.34Å; D139-V141 VanDerWaalsContact C-N 3.3Å; D139-V141 PolarHBondContact O-N 3.24Å; V141-K144 PolarHBondContact O-N 3.39Å; V141-C145 PolarHBondContact O-N 2.75Å; V141-C145 PolarHBondContact O-SG 3.32Å
142R93.5Very high78.6Confident64 Ų6472.4 Ų72.424%0.24242%0.418CS..Hα-helixtrans-64.8-44.9179-69.8177.770.1-144.4-8.9111.6S138 D139 K144 C145 V146 E172S138-R142 VanDerWaalsContact O-CG 3.24Å; S138-R142 WeakPolarHBondContact O-CG 3.49Å; S138-R142 PolarHBondContact O-N 3.46Å; S138-R142 VanDerWaalsContact O-N 3.16Å; D139-R142 PolarHBondContact O-N 3.41Å; D139-R142 IonicContact OD1-NH1 3.25Å; R142-K144 VanDerWaalsContact C-N 3.26Å; R142-K144 PolarHBondContact O-N 3.01Å; R142-C145 WeakPolarHBondContact O-CA 3.48Å; R142-C145 WeakPolarHBondContact O-CB 3.45Å; R142-C145 PolarHBondContact O-N 3.26Å; R142-V146 WeakPolarHBondContact O-CG2 3.24Å; R142-V146 PolarHBondContact O-N 3.13Å; R142-E172 WeakPolarHBondContact CG-OE1 3.28Å; R142-E172 IonicContact CZ-OE1 2.78Å; R142-E172 IonicContact CZ-OE2 3.2Å; R142-E172 IonicContact NE-OE1 3.12Å; R142-E172 PolarHBondContact NE-OE1 3.36Å; R142-E172 IonicContact NE-OE2 2.79Å; R142-E172 IonicContact NH2-OE1 3.48Å; R142-E172 PolarHBondContact NH2-OE1 2.9Å; R142-E172 IonicContact NH2-OE2 2.84Å; R142-E172 PolarHBondContact NH2-OE2 2.85Å
143T94.3Very high80.7Confident81 Ų8163.8 Ų63.850%0.49738%0.378SS..Hα-helixtrans-56.9-41.7173.1-56.30000111.2D139 C145 V146 Q147D139-T143 PolarHBondContact O-N 2.98Å; D139-T143 PolarHBondContact O-OG1 3.36Å; T143-C145 PolarHBondContact O-N 3.01Å; T143-V146 PolarHBondContact O-N 3.4Å; T143-Q147 WeakPolarHBondContact O-CG 3.5Å; T143-Q147 PolarHBondContact O-N 3.06Å
144K94.9Very high83.1Confident115 Ų11560.8 Ų60.850%0.536%0.356SS..Hα-helixtrans-67-37.1176.4-166.658.2177.5179.50112.8S140 V141 R142 Q147 L148S140-K144 PolarHBondContact O-N 2.81Å; S140-K144 VanDerWaalsContact O-N 3.15Å; V141-K144 PolarHBondContact O-N 3.39Å; R142-K144 VanDerWaalsContact C-N 3.26Å; R142-K144 PolarHBondContact O-N 3.01Å; K144-Q147 VanDerWaalsContact CD-OE1 3.24Å; K144-Q147 PolarHBondContact O-N 3.22Å; K144-L148 WeakPolarHBondContact O-CG 3.49Å; K144-L148 PolarHBondContact O-N 3.34Å
145C95.5Very high84.6Confident10 Ų1060.1 Ų60.17%0.06834%0.343CS..Hα-helixtrans-62.2-44174.1-70.30000112V141 R142 T143 L148 L149 E172 Y186 V190V141-C145 PolarHBondContact O-N 2.75Å; V141-C145 PolarHBondContact O-SG 3.32Å; R142-C145 WeakPolarHBondContact O-CA 3.48Å; R142-C145 WeakPolarHBondContact O-CB 3.45Å; R142-C145 PolarHBondContact O-N 3.26Å; T143-C145 PolarHBondContact O-N 3.01Å; C145-L148 PolarHBondContact O-N 3.41Å; C145-L149 WeakPolarHBondContact O-CG 3.28Å; C145-L149 PolarHBondContact O-N 2.98Å; C145-E172 HydrophobicContact CB-CG 4.4Å; C145-Y186 VanDerWaalsContact CB-OH 3.26Å; C145-Y186 WeakPolarHBondContact CB-OH 3.4Å; C145-Y186 PolarHBondContact SG-OH 2.91Å; C145-Y186 VanDerWaalsContact SG-OH 3.41Å; C145-V190 HydrophobicContact CB-CG1 3.92Å; C145-V190 HydrophobicContact CB-CG2 4.35Å
146V95.7Very high85.5Confident25 Ų2560.9 Ų60.915%0.15235%0.346CS..Hα-helixtrans-59.2-47174.4176.20000110.6R142 T143 L148 L149 L150 A168 E169 E172R142-V146 WeakPolarHBondContact O-CG2 3.24Å; R142-V146 PolarHBondContact O-N 3.13Å; T143-V146 PolarHBondContact O-N 3.4Å; V146-L148 VanDerWaalsContact C-N 3.29Å; V146-L148 PolarHBondContact O-N 2.98Å; V146-L149 PolarHBondContact O-N 3.4Å; V146-L149 VanDerWaalsContact O-N 3.15Å; V146-L150 WeakPolarHBondContact O-CB 3.23Å; V146-L150 PolarHBondContact O-N 3.16Å; V146-A168 HydrophobicContact CG1-CB 4.12Å; V146-E169 HydrophobicContact CG1-CG 3.74Å; V146-E169 HydrophobicContact CG2-CG 4.46Å; V146-E172 HydrophobicContact CG2-CB 3.67Å; V146-E172 HydrophobicContact CG2-CG 3.73Å
147Q94.9Very high86.1Confident97 Ų9764.7 Ų64.745%0.45336%0.355SS..Hα-helixtrans-57.6-40.6177.1-72.8178.7-600112.8T143 K144 A151T143-Q147 WeakPolarHBondContact O-CG 3.5Å; T143-Q147 PolarHBondContact O-N 3.06Å; K144-Q147 VanDerWaalsContact CD-OE1 3.24Å; K144-Q147 PolarHBondContact O-N 3.22Å; Q147-A151 WeakPolarHBondContact O-CB 3.46Å; Q147-A151 PolarHBondContact O-N 3.15Å
148L95.3Very high86Confident80 Ų8062.7 Ų62.742%0.41934%0.341SS..Hα-helixtrans-68.2-38177.9-69.9172.5000112.3K144 C145 V146 A152 V194K144-L148 WeakPolarHBondContact O-CG 3.49Å; K144-L148 PolarHBondContact O-N 3.34Å; C145-L148 PolarHBondContact O-N 3.41Å; V146-L148 VanDerWaalsContact C-N 3.29Å; V146-L148 PolarHBondContact O-N 2.98Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.14Å; L148-V194 HydrophobicContact CB-CG2 4.03Å
149L94.8Very high85.5Confident0 Ų066.3 Ų66.30%036%0.362CS..Hα-helixtrans-66.7-45175-73.2166.1000111C145 V146 A152 L153 A168 I171 E172 V190 K193 V194 L197C145-L149 WeakPolarHBondContact O-CG 3.28Å; C145-L149 PolarHBondContact O-N 2.98Å; V146-L149 PolarHBondContact O-N 3.4Å; V146-L149 VanDerWaalsContact O-N 3.15Å; L149-A152 WeakPolarHBondContact O-CB 2.93Å; L149-A152 PolarHBondContact O-N 3.3Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 3.44Å; L149-A168 HydrophobicContact CB-CB 4.02Å; L149-I171 HydrophobicContact CD1-CB 4.47Å; L149-I171 HydrophobicContact CD1-CG2 4.06Å; L149-I171 HydrophobicContact CD2-CG2 4.28Å; L149-E172 HydrophobicContact CD1-CB 4.07Å; L149-V190 HydrophobicContact CG-CG1 4.48Å; L149-K193 HydrophobicContact CD2-CB 4.2Å; L149-V194 HydrophobicContact CD2-CG2 3.75Å; L149-V194 HydrophobicContact CG-CG2 4.09Å; L149-L197 HydrophobicContact CD2-CD1 4.24Å
150L93.4Very high85.2Confident43 Ų4364.5 Ų64.523%0.22535%0.353CS..Hα-helixtrans-58.4-50.7175.8179.457.2000111.1V146 A152 L153 L154 A164 A165 A168V146-L150 WeakPolarHBondContact O-CB 3.23Å; V146-L150 PolarHBondContact O-N 3.16Å; L150-A152 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 2.91Å; L150-L154 HydrophobicContact CD1-CD1 3.89Å; L150-L154 HydrophobicContact CD1-CD2 4.35Å; L150-L154 HydrophobicContact CD1-CG 3.94Å; L150-L154 HydrophobicContact CG-CD1 3.82Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.27Å; L150-L154 PolarHBondContact O-N 3.47Å; L150-A164 HydrophobicContact CD1-CB 3.82Å; L150-A165 HydrophobicContact CD1-CB 4.23Å; L150-A165 HydrophobicContact CD2-CB 4.37Å; L150-A168 HydrophobicContact CB-CB 3.96Å
151A92.4Very high84.7Confident54 Ų5464 Ų6445%0.44636%0.355SS..Hα-helixtrans-57.9-33.8177.300000112.7Q147Q147-A151 WeakPolarHBondContact O-CB 3.46Å; Q147-A151 PolarHBondContact O-N 3.15Å
152A92.2Very high84.4Confident1 Ų168.3 Ų68.31%0.00838%0.377CS..Hα-helixtrans-73.7-33.7176.200000113.1L148 L149 L150 V194 L197 R198L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.14Å; L149-A152 WeakPolarHBondContact O-CB 2.93Å; L149-A152 PolarHBondContact O-N 3.3Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L150-A152 PolarHBondContact O-N 3.47Å; A152-V194 HydrophobicContact CB-CG1 4.24Å; A152-L197 HydrophobicContact CB-CB 3.77Å; A152-L197 HydrophobicContact CB-CD1 4.34Å; A152-R198 HydrophobicContact CB-CG 3.78Å
153L88.8Confident84.1Confident0 Ų071 Ų710%039%0.391CS..Hα-helixtrans-71.7-33.6175-68.6171.8000111.8L149 L150 A164 L167 A168 L197 R206 L209L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 3.44Å; L150-L153 PolarHBondContact O-N 2.91Å; L153-A164 HydrophobicContact CB-CB 4.39Å; L153-L167 HydrophobicContact CD1-CB 4.22Å; L153-A168 HydrophobicContact CD1-CB 4.19Å; L153-L197 HydrophobicContact CD2-CD1 4.1Å; L153-L197 HydrophobicContact CD2-CD2 4.1Å; L153-L197 HydrophobicContact CG-CD1 4.42Å; L153-R206 HydrophobicContact CD2-CG 4.43Å; L153-R206 PolarHBondContact O-NE 3.28Å; L153-R206 PolarHBondContact O-NH2 2.95Å; L153-L209 HydrophobicContact CD2-CD1 4.05Å
154L86.4Confident83.9Confident60 Ų6067.1 Ų67.131%0.31437%0.367SS..Hα-helixtrans-78-13.6-177.7-66.3174.9000115.3L150 P156 E157 P158 A164L150-L154 HydrophobicContact CD1-CD1 3.89Å; L150-L154 HydrophobicContact CD1-CD2 4.35Å; L150-L154 HydrophobicContact CD1-CG 3.94Å; L150-L154 HydrophobicContact CG-CD1 3.82Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.27Å; L150-L154 PolarHBondContact O-N 3.47Å; L154-P156 CarbonylContact O-C 3.27Å; L154-P156 VanDerWaalsContact O-C 3.27Å; L154-E157 WeakPolarHBondContact O-CA 3.35Å; L154-E157 PolarHBondContact O-N 3.29Å; L154-P158 HydrophobicContact CB-CG 4.34Å; L154-P158 HydrophobicContact CD2-CG 3.32Å; L154-P158 HydrophobicContact CG-CG 4.36Å; L154-P158 WeakPolarHBondContact O-CD 3.48Å; L154-A164 HydrophobicContact CD2-CB 3.99Å
155H75.9Confident83.7Confident132 Ų13263.1 Ų63.161%0.61136%0.355SS*.SBendtrans-94.6120.5-174.1-137.8-71.9000111.4R206H155-R206 PolarHBondContact O-NE 2.72Å; H155-R206 PolarHBondContact O-NH1 2.91Å; H155-R206 PolarHBondContact O-NH2 3.36Å; H155-R206 VanDerWaalsContact O-NH2 3.15Å
156P65.4Low83.6Confident108 Ų10869.3 Ų69.370%0.70138%0.383SS*.SBendcis-90.3-3615.230.6-29.8000116L154 R206L154-P156 CarbonylContact O-C 3.27Å; L154-P156 VanDerWaalsContact O-C 3.27Å; P156-R206 VanDerWaalsContact CD-NH1 3.35Å
157E62.6Low83.4Confident177 Ų17769.2 Ų69.283%0.82738%0.382SS*.  trans-167.1118.4172.5-152.9174.7-169.700109.9L154L154-E157 WeakPolarHBondContact O-CA 3.35Å; L154-E157 PolarHBondContact O-N 3.29Å
158P61.2Low83.4Confident25 Ų2564.6 Ų64.616%0.16236%0.36CS..  trans-102.3153.3169.235.1-34.8000111.7L154 D160L154-P158 HydrophobicContact CB-CG 4.34Å; L154-P158 HydrophobicContact CD2-CG 3.32Å; L154-P158 HydrophobicContact CG-CG 4.36Å; L154-P158 WeakPolarHBondContact O-CD 3.48Å; P158-D160 VanDerWaalsContact C-N 3.29Å; P158-D160 PolarHBondContact O-N 2.8Å
159P61.3Low83.4Confident143 Ų14365.5 Ų65.593%0.92936%0.362SS*.SBendtrans-74.8-11.4-178.428.5-34.4000114.7
160D72Confident83.5Confident52 Ų5266.7 Ų66.728%0.27837%0.371SS..  trans-140.891-168.8-158.5-25.5000111.2P158 D162 K163 A164P158-D160 VanDerWaalsContact C-N 3.29Å; P158-D160 PolarHBondContact O-N 2.8Å; D160-D162 VanDerWaalsContact C-N 3.32Å; D160-K163 HydrophobicContact CB-CB 4.46Å; D160-K163 HydrophobicContact CB-CD 4.38Å; D160-K163 WeakPolarHBondContact OD2-CD 3.5Å; D160-K163 WeakPolarHBondContact OD2-CE 3.44Å; D160-K163 IonicContact OD2-NZ 2.81Å; D160-K163 PolarHBondContact OD2-NZ 3.01Å; D160-A164 PolarHBondContact O-N 3.35Å
161G78.2Confident83.6Confident39 Ų3964.7 Ų64.740%0.40236%0.36SS..Hα-helixtrans-68-29.9-176.800000113.6A164 A165G161-A164 PolarHBondContact O-N 3.37Å; G161-A165 PolarHBondContact O-N 2.9Å
162D83.9Confident83.8Confident128 Ų12862.4 Ų62.468%0.68434%0.34SS*.Hα-helixtrans-72.9-45.4-176.4-64.7-26.6000110.9D160 A164 A165 E166D160-D162 VanDerWaalsContact C-N 3.32Å; D162-A164 VanDerWaalsContact C-N 3.27Å; D162-A164 PolarHBondContact O-N 3.23Å; D162-A165 WeakPolarHBondContact O-CB 3.38Å; D162-A165 PolarHBondContact O-N 3.01Å; D162-A165 VanDerWaalsContact O-N 3.09Å; D162-E166 PolarHBondContact O-N 2.91Å
163K86.7Confident84Confident121 Ų12166.9 Ų66.953%0.52636%0.357SS..Hα-helixtrans-59.9-38.2173-70.2-175.9-174.9136.30112.3D160 A165 L167D160-K163 HydrophobicContact CB-CB 4.46Å; D160-K163 HydrophobicContact CB-CD 4.38Å; D160-K163 WeakPolarHBondContact OD2-CD 3.5Å; D160-K163 WeakPolarHBondContact OD2-CE 3.44Å; D160-K163 IonicContact OD2-NZ 2.81Å; D160-K163 PolarHBondContact OD2-NZ 3.01Å; K163-A165 VanDerWaalsContact C-N 3.32Å; K163-L167 WeakPolarHBondContact O-CB 3.37Å; K163-L167 VanDerWaalsContact O-CG 3.25Å; K163-L167 WeakPolarHBondContact O-CG 3.49Å; K163-L167 PolarHBondContact O-N 3.4Å
164A89.5Confident84.3Confident0 Ų068.5 Ų68.50%036%0.364CS..Hα-helixtrans-66.3-35.717700000112L150 L153 L154 D160 G161 D162 A168L150-A164 HydrophobicContact CD1-CB 3.82Å; L153-A164 HydrophobicContact CB-CB 4.39Å; L154-A164 HydrophobicContact CD2-CB 3.99Å; D160-A164 PolarHBondContact O-N 3.35Å; G161-A164 PolarHBondContact O-N 3.37Å; D162-A164 VanDerWaalsContact C-N 3.27Å; D162-A164 PolarHBondContact O-N 3.23Å; A164-A168 WeakPolarHBondContact O-CB 3.44Å; A164-A168 PolarHBondContact O-N 2.75Å
165A91.6Very high84.7Confident30 Ų3065.7 Ų65.725%0.24835%0.349CS..Hα-helixtrans-65.7-48.5175.400000111.7L150 G161 D162 K163 L167 A168 E169L150-A165 HydrophobicContact CD1-CB 4.23Å; L150-A165 HydrophobicContact CD2-CB 4.37Å; G161-A165 PolarHBondContact O-N 2.9Å; D162-A165 WeakPolarHBondContact O-CB 3.38Å; D162-A165 PolarHBondContact O-N 3.01Å; D162-A165 VanDerWaalsContact O-N 3.09Å; K163-A165 VanDerWaalsContact C-N 3.32Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.01Å; A165-A168 PolarHBondContact O-N 3.08Å; A165-E169 PolarHBondContact O-N 3.38Å
166E92.8Very high85.6Confident140 Ų14060.9 Ų60.965%0.65433%0.327SS*.Hα-helixtrans-59.5-42176.2-69-177.217900112.2D162 E169 S170D162-E166 PolarHBondContact O-N 2.91Å; E166-E169 PolarHBondContact O-N 3.34Å; E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 2.83Å
167L93Very high87Confident24 Ų2463.5 Ų63.513%0.12632%0.323CS..Hα-helixtrans-63.8-43.7175.8-75.7170.7000111.8L153 K163 A165 E169 S170 I171 L210 P216L153-L167 HydrophobicContact CD1-CB 4.22Å; K163-L167 WeakPolarHBondContact O-CB 3.37Å; K163-L167 VanDerWaalsContact O-CG 3.25Å; K163-L167 WeakPolarHBondContact O-CG 3.49Å; K163-L167 PolarHBondContact O-N 3.4Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.01Å; L167-E169 VanDerWaalsContact C-N 3.35Å; L167-E169 PolarHBondContact O-N 3.3Å; L167-S170 PolarHBondContact O-N 3.14Å; L167-I171 WeakPolarHBondContact O-CB 3.41Å; L167-I171 VanDerWaalsContact O-CG1 3.22Å; L167-I171 WeakPolarHBondContact O-CG1 3.32Å; L167-I171 PolarHBondContact O-N 3.46Å; L167-L210 HydrophobicContact CD1-CD2 4.07Å; L167-P216 HydrophobicContact CD2-CG 3.86Å
168A95Very high88.4Confident0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-60.7-43.9178.300000111.8V146 L149 L150 L153 A164 A165 E172V146-A168 HydrophobicContact CG1-CB 4.12Å; L149-A168 HydrophobicContact CB-CB 4.02Å; L150-A168 HydrophobicContact CB-CB 3.96Å; L153-A168 HydrophobicContact CD1-CB 4.19Å; A164-A168 WeakPolarHBondContact O-CB 3.44Å; A164-A168 PolarHBondContact O-N 2.75Å; A165-A168 PolarHBondContact O-N 3.08Å; A168-E172 PolarHBondContact O-N 3.2Å
169E95.2Very high89.9Confident98 Ų9859.7 Ų59.746%0.45831%0.305SS..Hα-helixtrans-64.3-42.5174.4-72.5-173.7-170.500112.3V146 A165 E166 L167 E172 R173V146-E169 HydrophobicContact CG1-CG 3.74Å; V146-E169 HydrophobicContact CG2-CG 4.46Å; A165-E169 PolarHBondContact O-N 3.38Å; E166-E169 PolarHBondContact O-N 3.34Å; L167-E169 VanDerWaalsContact C-N 3.35Å; L167-E169 PolarHBondContact O-N 3.3Å; E169-E172 PolarHBondContact O-N 2.99Å; E169-R173 VanDerWaalsContact O-CB 3.32Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE2-NH2 3.86Å
170S95.7Very high91.2Very high26 Ų2660.1 Ų60.118%0.18229%0.292CS..Hα-helixtrans-61.8-46.6177.6-170.60000111.5E166 L167 R173 H174E166-S170 WeakPolarHBondContact O-CB 3.44Å; E166-S170 PolarHBondContact O-N 2.83Å; L167-S170 PolarHBondContact O-N 3.14Å; S170-R173 PolarHBondContact O-N 3.25Å; S170-H174 PolarHBondContact O-N 2.9Å; S170-H174 VanDerWaalsContact O-N 3.11Å; S170-H174 PolarHBondContact O-ND1 3.44Å
171I96Very high91.9Very high0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-60.5-48.3177.1-67.9165.7000110.4L149 L167 R173 H174 I175 L209 P216 F219L149-I171 HydrophobicContact CD1-CB 4.47Å; L149-I171 HydrophobicContact CD1-CG2 4.06Å; L149-I171 HydrophobicContact CD2-CG2 4.28Å; L167-I171 WeakPolarHBondContact O-CB 3.41Å; L167-I171 VanDerWaalsContact O-CG1 3.22Å; L167-I171 WeakPolarHBondContact O-CG1 3.32Å; L167-I171 PolarHBondContact O-N 3.46Å; I171-R173 VanDerWaalsContact C-N 3.31Å; I171-R173 PolarHBondContact O-N 3.15Å; I171-H174 PolarHBondContact O-N 2.88Å; I171-I175 HydrophobicContact CG2-CD1 3.62Å; I171-I175 HydrophobicContact CG2-CG1 4.33Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.47Å; I171-I175 PolarHBondContact O-N 3.01Å; I171-L209 HydrophobicContact CD1-CD1 4.04Å; I171-L209 HydrophobicContact CD1-CD2 4.21Å; I171-P216 HydrophobicContact CG1-CB 3.9Å; I171-F219 HydrophobicContact CD1-CD1 3.9Å; I171-F219 HydrophobicContact CD1-CE1 4.14Å; I171-F219 HydrophobicContact CG1-CD1 4.1Å; I171-F219 HydrophobicContact CG2-CD1 3.93Å; I171-F219 HydrophobicContact CG2-CE1 4.08Å
172E96.3Very high92.6Very high7 Ų763.9 Ų63.93%0.03332%0.318CS..Hα-helixtrans-57.1-45.9177.7-173.3-80.6157.800111.4R142 C145 V146 L149 A168 E169 H174 I175 H176 Y186R142-E172 WeakPolarHBondContact CG-OE1 3.28Å; R142-E172 IonicContact CZ-OE1 2.78Å; R142-E172 IonicContact CZ-OE2 3.2Å; R142-E172 IonicContact NE-OE1 3.12Å; R142-E172 PolarHBondContact NE-OE1 3.36Å; R142-E172 IonicContact NE-OE2 2.79Å; R142-E172 IonicContact NH2-OE1 3.48Å; R142-E172 PolarHBondContact NH2-OE1 2.9Å; R142-E172 IonicContact NH2-OE2 2.84Å; R142-E172 PolarHBondContact NH2-OE2 2.85Å; C145-E172 HydrophobicContact CB-CG 4.4Å; V146-E172 HydrophobicContact CG2-CB 3.67Å; V146-E172 HydrophobicContact CG2-CG 3.73Å; L149-E172 HydrophobicContact CD1-CB 4.07Å; A168-E172 PolarHBondContact O-N 3.2Å; E169-E172 PolarHBondContact O-N 2.99Å; E172-H174 VanDerWaalsContact C-N 3.3Å; E172-H174 PolarHBondContact O-N 3.41Å; E172-I175 PolarHBondContact O-N 3.1Å; E172-I175 VanDerWaalsContact O-N 3.17Å; E172-H176 WeakPolarHBondContact O-CB 3.34Å; E172-H176 PolarHBondContact O-N 2.95Å; E172-Y186 WeakPolarHBondContact CG-OH 3.27Å; E172-Y186 PolarHBondContact OE1-OH 3.02Å
173R95.7Very high92.8Very high95 Ų9562.9 Ų62.936%0.35831%0.309SS..Hα-helixtrans-59.9-41.1-178.9-167.3-177.4-59.1110.72.5111.7E169 S170 I171 R177E169-R173 VanDerWaalsContact O-CB 3.32Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE2-NH2 3.86Å; S170-R173 PolarHBondContact O-N 3.25Å; I171-R173 VanDerWaalsContact C-N 3.31Å; I171-R173 PolarHBondContact O-N 3.15Å; R173-R177 WeakPolarHBondContact O-CB 3.49Å; R173-R177 VanDerWaalsContact O-CG 3.24Å; R173-R177 WeakPolarHBondContact O-CG 3.27Å; R173-R177 PolarHBondContact O-N 3.23Å
174H96.1Very high93Very high34 Ų3463.6 Ų63.616%0.15732%0.318CS..Hα-helixtrans-69.2-42.4176.4-69.693.6000112S170 I171 E172 H176 R177 L178 A220S170-H174 PolarHBondContact O-N 2.9Å; S170-H174 VanDerWaalsContact O-N 3.11Å; S170-H174 PolarHBondContact O-ND1 3.44Å; I171-H174 PolarHBondContact O-N 2.88Å; E172-H174 VanDerWaalsContact C-N 3.3Å; E172-H174 PolarHBondContact O-N 3.41Å; H174-H176 VanDerWaalsContact C-N 3.34Å; H174-H176 PolarHBondContact O-N 3.49Å; H174-R177 PolarHBondContact O-N 2.89Å; H174-L178 WeakPolarHBondContact O-CG 3.45Å; H174-L178 PolarHBondContact O-N 3.48Å; H174-A220 HydrophobicContact CB-CB 3.63Å
175I95.4Very high93.2Very high0 Ų069.8 Ų69.80%035%0.345CS..Hα-helixtrans-63.5-41.5176.3-63167.9000110.9I171 E172 L178 H179 Y186 C189 V190 K193 A220I171-I175 HydrophobicContact CG2-CD1 3.62Å; I171-I175 HydrophobicContact CG2-CG1 4.33Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.47Å; I171-I175 PolarHBondContact O-N 3.01Å; E172-I175 PolarHBondContact O-N 3.1Å; E172-I175 VanDerWaalsContact O-N 3.17Å; I175-L178 PolarHBondContact O-N 3.44Å; I175-H179 PolarHBondContact O-N 2.95Å; I175-H179 VanDerWaalsContact O-N 3.11Å; I175-Y186 HydrophobicContact CG2-CD2 3.82Å; I175-Y186 HydrophobicContact CG2-CE2 4.02Å; I175-C189 HydrophobicContact CG2-CB 3.99Å; I175-V190 HydrophobicContact CD1-CG2 4.3Å; I175-V190 HydrophobicContact CG2-CG2 4.01Å; I175-K193 HydrophobicContact CD1-CG 3.95Å; I175-A220 HydrophobicContact CG1-CB 3.71Å
176H94.3Very high93.4Very high32 Ų3268.5 Ų68.515%0.14833%0.333CS..Hα-helixtrans-64.2-42.4177.3-174.567.7000111.5E172 H174 L178 H179 K180 Y186E172-H176 WeakPolarHBondContact O-CB 3.34Å; E172-H176 PolarHBondContact O-N 2.95Å; H174-H176 VanDerWaalsContact C-N 3.34Å; H174-H176 PolarHBondContact O-N 3.49Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 3.34Å; H176-H179 CarbonylContact O-C 3.59Å; H176-H179 PolarHBondContact O-N 3.47Å; H176-K180 VanDerWaalsContact O-CA 3.28Å; H176-K180 WeakPolarHBondContact O-CA 3.47Å; H176-K180 WeakPolarHBondContact O-CB 3.35Å; H176-K180 PolarHBondContact O-N 3.19Å; H176-Y186 HydrophobicContact CB-CD2 4.32Å; H176-Y186 HydrophobicContact CB-CE2 3.93Å
177R94.5Very high93.5Very high162 Ų16266.4 Ų66.461%0.61132%0.322SS*.Hα-helixtrans-58.7-41.4173.8-75.6170.1-179168.8-1.8112.3R173 H174 H179R173-R177 WeakPolarHBondContact O-CB 3.49Å; R173-R177 VanDerWaalsContact O-CG 3.24Å; R173-R177 WeakPolarHBondContact O-CG 3.27Å; R173-R177 PolarHBondContact O-N 3.23Å; H174-R177 PolarHBondContact O-N 2.89Å; R177-H179 VanDerWaalsContact C-N 3.32Å; R177-H179 PolarHBondContact O-N 3.09Å
178L93.2Very high93.6Very high70 Ų7067.3 Ų67.337%0.36633%0.333SS..Hα-helixtrans-68.3-28.8178.5-68.9170.8000113.5H174 I175 H176 A220 R221H174-L178 WeakPolarHBondContact O-CG 3.45Å; H174-L178 PolarHBondContact O-N 3.48Å; I175-L178 PolarHBondContact O-N 3.44Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 3.34Å; L178-A220 HydrophobicContact CD1-CB 4.17Å; L178-R221 HydrophobicContact CD1-CG 3.81Å; L178-R221 HydrophobicContact CD2-CG 4.3Å
179H92.6Very high93.6Very high52 Ų5268.4 Ų68.424%0.24134%0.34CS..Hα-helixtrans-12725.2-171.6-61.4-44000114I175 H176 R177 A181 N182I175-H179 PolarHBondContact O-N 2.95Å; I175-H179 VanDerWaalsContact O-N 3.11Å; H176-H179 CarbonylContact O-C 3.59Å; H176-H179 PolarHBondContact O-N 3.47Å; R177-H179 VanDerWaalsContact C-N 3.32Å; R177-H179 PolarHBondContact O-N 3.09Å; H179-A181 PolarHBondContact O-N 2.91Å; H179-A181 VanDerWaalsContact O-N 3.13Å; H179-N182 CarbonylContact O-C 3.54Å; H179-N182 PolarHBondContact O-N 3.04Å
180K86.9Confident93.6Very high153 Ų15363.9 Ų63.967%0.66532%0.319SS*.THydrogen-bonded Turntrans-54.2-37.2-175.3-169.7178.4-179.4-175.70113.1H176H176-K180 VanDerWaalsContact O-CA 3.28Å; H176-K180 WeakPolarHBondContact O-CA 3.47Å; H176-K180 WeakPolarHBondContact O-CB 3.35Å; H176-K180 PolarHBondContact O-N 3.19Å
181A87.6Confident93.6Very high107 Ų10770.6 Ų70.688%0.88434%0.341SS*.THydrogen-bonded Turntrans-81.3-13.1-179.900000114.3H179H179-A181 PolarHBondContact O-N 2.91Å; H179-A181 VanDerWaalsContact O-N 3.13Å
182N91.9Very high93.6Very high62 Ų6272.5 Ų72.533%0.33235%0.354SS..  trans-136.592.8-172.5-165.1-47.6000112.2H179 L184 K185 Y186H179-N182 CarbonylContact O-C 3.54Å; H179-N182 PolarHBondContact O-N 3.04Å; N182-L184 VanDerWaalsContact C-N 3.25Å; N182-L184 PolarHBondContact O-N 2.95Å; N182-L184 PolarHBondContact OD1-N 3.18Å; N182-K185 HydrophobicContact CB-CB 4.18Å; N182-K185 HydrophobicContact CB-CD 4.3Å; N182-K185 HydrophobicContact CB-CG 4.33Å; N182-K185 PolarHBondContact O-N 2.92Å; N182-K185 PolarHBondContact OD1-N 3.32Å; N182-Y186 PolarHBondContact O-N 3.02Å
183H88.9Confident93.5Very high107 Ų10772.2 Ų72.250%0.49535%0.353SS..Hα-helixtrans-61.3-28.4-179.5-71.2-67.1000114.2K187H183-K187 WeakPolarHBondContact O-CG 3.28Å; H183-K187 PolarHBondContact O-N 3.01Å
184L91.8Very high93.5Very high137 Ų13768.5 Ų68.572%0.71734%0.341SS*.Hα-helixtrans-70.5-47177.4-66.8173.1000111N182 Y186 K187 A188N182-L184 VanDerWaalsContact C-N 3.25Å; N182-L184 PolarHBondContact O-N 2.95Å; N182-L184 PolarHBondContact OD1-N 3.18Å; L184-Y186 VanDerWaalsContact C-N 3.34Å; L184-K187 PolarHBondContact O-N 3.38Å; L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 3.37Å
185K93.7Very high93.4Very high129 Ų12969.8 Ų69.856%0.56136%0.357SS*.Hα-helixtrans-62.8-40.9174.7-70.9-175179.6-177.10111.4N182 A188 C189N182-K185 HydrophobicContact CB-CB 4.18Å; N182-K185 HydrophobicContact CB-CD 4.3Å; N182-K185 HydrophobicContact CB-CG 4.33Å; N182-K185 PolarHBondContact O-N 2.92Å; N182-K185 PolarHBondContact OD1-N 3.32Å; K185-A188 PolarHBondContact O-N 3.03Å; K185-C189 WeakPolarHBondContact O-CB 3.48Å; K185-C189 PolarHBondContact O-N 3.15Å
186Y95.2Very high93.4Very high3 Ų371 Ų711%0.01236%0.363CS..Hα-helixtrans-55.7-56173.2169.8-99.4000111.9C145 E172 I175 H176 N182 L184 A188 C189 V190C145-Y186 VanDerWaalsContact CB-OH 3.26Å; C145-Y186 WeakPolarHBondContact CB-OH 3.4Å; C145-Y186 PolarHBondContact SG-OH 2.91Å; C145-Y186 VanDerWaalsContact SG-OH 3.41Å; E172-Y186 WeakPolarHBondContact CG-OH 3.27Å; E172-Y186 PolarHBondContact OE1-OH 3.02Å; I175-Y186 HydrophobicContact CG2-CD2 3.82Å; I175-Y186 HydrophobicContact CG2-CE2 4.02Å; H176-Y186 HydrophobicContact CB-CD2 4.32Å; H176-Y186 HydrophobicContact CB-CE2 3.93Å; N182-Y186 PolarHBondContact O-N 3.02Å; L184-Y186 VanDerWaalsContact C-N 3.34Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 3.46Å; Y186-C189 PolarHBondContact O-N 3.45Å; Y186-V190 HydrophobicContact CD2-CG2 4.39Å; Y186-V190 HydrophobicContact CE1-CG2 4.32Å; Y186-V190 HydrophobicContact CE2-CG2 3.91Å; Y186-V190 WeakPolarHBondContact O-CG2 3.34Å; Y186-V190 PolarHBondContact O-N 2.94Å
187K94.2Very high93.3Very high97 Ų9769.6 Ų69.642%0.42236%0.357SS..Hα-helixtrans-62.1-36.4179.6-73.4179.4-179.7179.40112.3H183 L184 R191H183-K187 WeakPolarHBondContact O-CG 3.28Å; H183-K187 PolarHBondContact O-N 3.01Å; L184-K187 PolarHBondContact O-N 3.38Å; K187-R191 WeakPolarHBondContact O-CB 3.35Å; K187-R191 VanDerWaalsContact O-CG 3.27Å; K187-R191 WeakPolarHBondContact O-CG 3.18Å; K187-R191 PolarHBondContact O-N 3.35Å; K187-R191 VanDerWaalsContact O-N 3.13Å; K187-R191 PolarHBondContact O-NE 3.28Å; K187-R191 VanDerWaalsContact O-NE 3.15Å
188A94.9Very high93.1Very high42 Ų4270.1 Ų70.135%0.34736%0.359SS..Hα-helixtrans-66.7-44.2176.200000111.9L184 K185 Y186 R191 S192L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 3.37Å; K185-A188 PolarHBondContact O-N 3.03Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 3.46Å; A188-R191 PolarHBondContact O-N 3.31Å; A188-S192 WeakPolarHBondContact O-CB 3.41Å; A188-S192 PolarHBondContact O-N 3.25Å
189C95.3Very high93Very high23 Ų2369.6 Ų69.616%0.15536%0.357CS..Hα-helixtrans-60.7-51.6176.5-1740000110.9I175 K185 Y186 R191 S192 K193I175-C189 HydrophobicContact CG2-CB 3.99Å; K185-C189 WeakPolarHBondContact O-CB 3.48Å; K185-C189 PolarHBondContact O-N 3.15Å; Y186-C189 PolarHBondContact O-N 3.45Å; C189-R191 VanDerWaalsContact C-N 3.33Å; C189-R191 PolarHBondContact O-N 3.05Å; C189-S192 WeakPolarHBondContact O-CB 3.48Å; C189-S192 PolarHBondContact O-N 2.94Å; C189-K193 WeakPolarHBondContact O-CG 3.29Å; C189-K193 PolarHBondContact O-N 3.15Å
190V95.8Very high92.7Very high3 Ų372.8 Ų72.82%0.01838%0.382CS..Hα-helixtrans-56.2-46.4177.9174.90000111.5C145 L149 I175 Y186 S192 K193 V194C145-V190 HydrophobicContact CB-CG1 3.92Å; C145-V190 HydrophobicContact CB-CG2 4.35Å; L149-V190 HydrophobicContact CG-CG1 4.48Å; I175-V190 HydrophobicContact CD1-CG2 4.3Å; I175-V190 HydrophobicContact CG2-CG2 4.01Å; Y186-V190 HydrophobicContact CD2-CG2 4.39Å; Y186-V190 HydrophobicContact CE1-CG2 4.32Å; Y186-V190 HydrophobicContact CE2-CG2 3.91Å; Y186-V190 WeakPolarHBondContact O-CG2 3.34Å; Y186-V190 PolarHBondContact O-N 2.94Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 2.94Å; V190-K193 PolarHBondContact O-N 3.25Å; V190-V194 HydrophobicContact CG1-CG2 4.23Å; V190-V194 WeakPolarHBondContact O-CB 3.33Å; V190-V194 VanDerWaalsContact O-CG2 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 3.25Å
191R95.4Very high92.7Very high168 Ų16873 Ų7363%0.63438%0.383SS*.Hα-helixtrans-59.6-42.3176.9-75.8-178.8-67138.3-6.6112.3K187 A188 C189 A195K187-R191 WeakPolarHBondContact O-CB 3.35Å; K187-R191 VanDerWaalsContact O-CG 3.27Å; K187-R191 WeakPolarHBondContact O-CG 3.18Å; K187-R191 PolarHBondContact O-N 3.35Å; K187-R191 VanDerWaalsContact O-N 3.13Å; K187-R191 PolarHBondContact O-NE 3.28Å; K187-R191 VanDerWaalsContact O-NE 3.15Å; A188-R191 PolarHBondContact O-N 3.31Å; C189-R191 VanDerWaalsContact C-N 3.33Å; C189-R191 PolarHBondContact O-N 3.05Å; R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 3.26Å
192S95.6Very high92.8Very high39 Ų3968.1 Ų68.127%0.27334%0.342SS..Hα-helixtrans-63-45.1176.6-178.60000111.8A188 C189 V190 A195 N196A188-S192 WeakPolarHBondContact O-CB 3.41Å; A188-S192 PolarHBondContact O-N 3.25Å; C189-S192 WeakPolarHBondContact O-CB 3.48Å; C189-S192 PolarHBondContact O-N 2.94Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 2.94Å; S192-A195 PolarHBondContact O-N 3.49Å; S192-N196 PolarHBondContact O-N 3.02Å; S192-N196 PolarHBondContact O-ND2 2.68Å
193K95.5Very high92.6Very high2 Ų266.6 Ų66.61%0.00934%0.341CS..Hα-helixtrans-61.8-47.6177.1-62-63.1168-175.30111.6L149 I175 C189 V190 A195 N196 L197 F219 M222 M227L149-K193 HydrophobicContact CD2-CB 4.2Å; I175-K193 HydrophobicContact CD1-CG 3.95Å; C189-K193 WeakPolarHBondContact O-CG 3.29Å; C189-K193 PolarHBondContact O-N 3.15Å; V190-K193 PolarHBondContact O-N 3.25Å; K193-A195 PolarHBondContact O-N 2.88Å; K193-N196 PolarHBondContact O-N 3.18Å; K193-L197 WeakPolarHBondContact O-CB 3.2Å; K193-L197 VanDerWaalsContact O-CG 3.32Å; K193-L197 WeakPolarHBondContact O-CG 3.35Å; K193-L197 PolarHBondContact O-N 2.91Å; K193-F219 HydrophobicContact CB-CE1 4.04Å; K193-F219 HydrophobicContact CB-CZ 4.11Å; K193-F219 HydrophobicContact CD-CD1 4.28Å; K193-F219 HydrophobicContact CD-CE1 3.71Å; K193-F219 HydrophobicContact CD-CE2 4.2Å; K193-F219 HydrophobicContact CD-CZ 3.65Å; K193-F219 VanDerWaalsContact CE-O 3.23Å; K193-F219 WeakPolarHBondContact CE-O 3.45Å; K193-F219 HydrophobicContact CG-CE1 4.18Å; K193-F219 HydrophobicContact CG-CZ 4.38Å; K193-F219 PolarHBondContact NZ-O 3.46Å; K193-M222 PolarHBondContact NZ-O 3.41Å; K193-M227 HydrophobicContact CD-CE 3.86Å; K193-M227 HydrophobicContact CD-SD 3.52Å; K193-M227 VanDerWaalsContact CD-SD 3.52Å; K193-M227 PolarHBondContact NZ-SD 3.35Å
194V95.3Very high92.7Very high17 Ų1765.5 Ų65.510%0.10334%0.336CS..Hα-helixtrans-59.7-45.4176.7170.50000111.2L148 L149 A152 V190 N196 L197 R198L148-V194 HydrophobicContact CB-CG2 4.03Å; L149-V194 HydrophobicContact CD2-CG2 3.75Å; L149-V194 HydrophobicContact CG-CG2 4.09Å; A152-V194 HydrophobicContact CB-CG1 4.24Å; V190-V194 HydrophobicContact CG1-CG2 4.23Å; V190-V194 WeakPolarHBondContact O-CB 3.33Å; V190-V194 VanDerWaalsContact O-CG2 3.27Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 3.25Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.69Å; V194-L197 PolarHBondContact O-N 3.44Å; V194-R198 HydrophobicContact CG1-CG 4.43Å; V194-R198 WeakPolarHBondContact O-CB 3.44Å; V194-R198 VanDerWaalsContact O-CG 3.28Å; V194-R198 WeakPolarHBondContact O-CG 3.41Å; V194-R198 PolarHBondContact O-N 2.96Å
195A93.7Very high92.8Very high61 Ų6159.1 Ų59.150%0.50430%0.302SS..Hα-helixtrans-63.3-40.1178.900000112.4R191 S192 K193 N199R191-A195 WeakPolarHBondContact O-CB 3.33Å; R191-A195 PolarHBondContact O-N 3.26Å; S192-A195 PolarHBondContact O-N 3.49Å; K193-A195 PolarHBondContact O-N 2.88Å; A195-N199 PolarHBondContact O-N 3.31Å
196N94.3Very high92.6Very high24 Ų2454.8 Ų54.813%0.12828%0.282CS..Hα-helixtrans-68.9-39.6177.1-82-79.8000112.4S192 K193 V194 N199 N202 L205 M227S192-N196 PolarHBondContact O-N 3.02Å; S192-N196 PolarHBondContact O-ND2 2.68Å; K193-N196 PolarHBondContact O-N 3.18Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.69Å; N196-N199 PolarHBondContact O-N 3.44Å; N196-N202 WeakPolarHBondContact O-CB 3.27Å; N196-N202 PolarHBondContact OD1-ND2 3.37Å; N196-L205 HydrophobicContact CB-CD1 4.05Å; N196-M227 HydrophobicContact CB-CB 4.49Å; N196-M227 HydrophobicContact CB-CE 4.18Å; N196-M227 HydrophobicContact CB-SD 4.12Å; N196-M227 WeakPolarHBondContact ND2-CE 3.43Å
197L92.3Very high92.3Very high3 Ų361.4 Ų61.42%0.01631%0.314CS..Hα-helixtrans-67.5-34.4176.2-71.2171000112.7L149 A152 L153 K193 V194 N199 L205 R206 L209 F219L149-L197 HydrophobicContact CD2-CD1 4.24Å; A152-L197 HydrophobicContact CB-CB 3.77Å; A152-L197 HydrophobicContact CB-CD1 4.34Å; L153-L197 HydrophobicContact CD2-CD1 4.1Å; L153-L197 HydrophobicContact CD2-CD2 4.1Å; L153-L197 HydrophobicContact CG-CD1 4.42Å; K193-L197 WeakPolarHBondContact O-CB 3.2Å; K193-L197 VanDerWaalsContact O-CG 3.32Å; K193-L197 WeakPolarHBondContact O-CG 3.35Å; K193-L197 PolarHBondContact O-N 2.91Å; V194-L197 PolarHBondContact O-N 3.44Å; L197-N199 VanDerWaalsContact C-N 3.28Å; L197-N199 PolarHBondContact O-N 2.97Å; L197-L205 HydrophobicContact CD2-CB 4.08Å; L197-R206 HydrophobicContact CD2-CG 3.84Å; L197-R206 WeakPolarHBondContact O-CD 3.42Å; L197-L209 HydrophobicContact CD2-CD1 3.85Å; L197-F219 HydrophobicContact CD1-CE1 4.04Å; L197-F219 HydrophobicContact CD1-CZ 3.91Å; L197-F219 HydrophobicContact CD2-CE2 4.28Å; L197-F219 HydrophobicContact CD2-CZ 3.82Å; L197-F219 HydrophobicContact CG-CE1 4.41Å; L197-F219 HydrophobicContact CG-CZ 3.77Å
198R91.4Very high92.2Very high173 Ų17357.3 Ų57.365%0.65330%0.298SS*.Hα-helixtrans-75.2-14.9176.7-70.9179.577.6-1655.2113.6A152 V194 P200A152-R198 HydrophobicContact CB-CG 3.78Å; V194-R198 HydrophobicContact CG1-CG 4.43Å; V194-R198 WeakPolarHBondContact O-CB 3.44Å; V194-R198 VanDerWaalsContact O-CG 3.28Å; V194-R198 WeakPolarHBondContact O-CG 3.41Å; V194-R198 PolarHBondContact O-N 2.96Å; R198-P200 WeakPolarHBondContact O-CD 3.49Å
199N90.1Very high92Very high60 Ų6055.3 Ų55.332%0.32128%0.282SS..  trans-75.2118.1-178.6-175-13.4000109.9A195 N196 L197 K201 N202A195-N199 PolarHBondContact O-N 3.31Å; N196-N199 PolarHBondContact O-N 3.44Å; L197-N199 VanDerWaalsContact C-N 3.28Å; L197-N199 PolarHBondContact O-N 2.97Å; N199-K201 PolarHBondContact O-N 3Å; N199-K201 WeakPolarHBondContact OD1-CB 3.45Å; N199-K201 PolarHBondContact OD1-N 3.5Å; N199-N202 HydrophobicContact CB-CB 4.25Å; N199-N202 PolarHBondContact O-N 3.36Å
200P87.3Confident91.7Very high119 Ų11957.3 Ų57.377%0.77329%0.291SS*.G310 helixtrans-61.7-27.6-179.125-34.5000113R198 N202 G203R198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-N202 PolarHBondContact O-N 2.93Å; P200-G203 PolarHBondContact O-N 2.92Å
201K87.1Confident91.4Very high158 Ų15860.7 Ų60.769%0.68732%0.315SS*.G310 helixtrans-70.4-17.8175.9-61.4-171176.4-170.70113.1N199N199-K201 PolarHBondContact O-N 3Å; N199-K201 WeakPolarHBondContact OD1-CB 3.45Å; N199-K201 PolarHBondContact OD1-N 3.5Å
202N89.5Confident91Very high4 Ų457.8 Ų57.82%0.02132%0.319CS..G310 helixtrans-103.432.1178.6-65.6-15.7000112.2N196 N199 P200 H204 L205 N229N196-N202 WeakPolarHBondContact O-CB 3.27Å; N196-N202 PolarHBondContact OD1-ND2 3.37Å; N199-N202 HydrophobicContact CB-CB 4.25Å; N199-N202 PolarHBondContact O-N 3.36Å; P200-N202 PolarHBondContact O-N 2.93Å; N202-H204 PolarHBondContact O-N 3.31Å; N202-H204 VanDerWaalsContact O-N 3.1Å; N202-L205 HydrophobicContact CB-CD1 3.89Å; N202-L205 HydrophobicContact CB-CG 4.33Å; N202-L205 PolarHBondContact O-N 3.24Å; N202-L205 VanDerWaalsContact O-N 3.09Å; N202-N229 PolarHBondContact OD1-N 2.95Å
203G88.5Confident90.8Very high30 Ų3060.9 Ų60.931%0.30934%0.341SS..Hα-helixtrans-55.2-28.3178.200000114.2P200 L205 R206 Q207P200-G203 PolarHBondContact O-N 2.92Å; G203-L205 PolarHBondContact O-N 3.07Å; G203-R206 PolarHBondContact O-N 3.5Å; G203-Q207 PolarHBondContact O-N 3.08Å
204H90.9Very high90.6Very high83 Ų8362.3 Ų62.338%0.38435%0.348SS..Hα-helixtrans-57.1-32.4176.570.1-84.8000113.4N202 G208N202-H204 PolarHBondContact O-N 3.31Å; N202-H204 VanDerWaalsContact O-N 3.1Å; H204-G208 PolarHBondContact O-N 2.88Å
205L92.3Very high90.6Very high3 Ų363.7 Ų63.72%0.01636%0.361CS..Hα-helixtrans-66.6-46.8178.1-62.6174.5000111.2N196 L197 N202 G203 G208 L209 L214 F219 M227N196-L205 HydrophobicContact CB-CD1 4.05Å; L197-L205 HydrophobicContact CD2-CB 4.08Å; N202-L205 HydrophobicContact CB-CD1 3.89Å; N202-L205 HydrophobicContact CB-CG 4.33Å; N202-L205 PolarHBondContact O-N 3.24Å; N202-L205 VanDerWaalsContact O-N 3.09Å; G203-L205 PolarHBondContact O-N 3.07Å; L205-G208 PolarHBondContact O-N 3.41Å; L205-L209 WeakPolarHBondContact O-CB 3.2Å; L205-L209 WeakPolarHBondContact O-CD1 3.17Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.34Å; L205-L214 HydrophobicContact CD2-CD2 4.4Å; L205-F219 HydrophobicContact CD1-CE2 4.31Å; L205-F219 HydrophobicContact CD2-CE2 4.33Å; L205-M227 HydrophobicContact CD1-CB 4.01Å; L205-M227 HydrophobicContact CD1-CG 4.39Å; L205-M227 HydrophobicContact CD2-CB 4.3Å; L205-M227 HydrophobicContact CD2-CG 4.31Å
206R89.9Confident90.6Very high38 Ų3862.1 Ų62.114%0.14335%0.346CS..Hα-helixtrans-65.9-47.4179.1-73.317956.9-129.9-1.3110.8L153 H155 P156 L197 G203 G208 L209 L210L153-R206 HydrophobicContact CD2-CG 4.43Å; L153-R206 PolarHBondContact O-NE 3.28Å; L153-R206 PolarHBondContact O-NH2 2.95Å; H155-R206 PolarHBondContact O-NE 2.72Å; H155-R206 PolarHBondContact O-NH1 2.91Å; H155-R206 PolarHBondContact O-NH2 3.36Å; H155-R206 VanDerWaalsContact O-NH2 3.15Å; P156-R206 VanDerWaalsContact CD-NH1 3.35Å; L197-R206 HydrophobicContact CD2-CG 3.84Å; L197-R206 WeakPolarHBondContact O-CD 3.42Å; G203-R206 PolarHBondContact O-N 3.5Å; R206-G208 VanDerWaalsContact C-N 3.33Å; R206-G208 PolarHBondContact O-N 2.91Å; R206-L209 PolarHBondContact O-N 3.4Å; R206-L210 WeakPolarHBondContact O-CB 3.38Å; R206-L210 WeakPolarHBondContact O-CG 3.15Å; R206-L210 PolarHBondContact O-N 2.9Å
207Q89.9Confident90.7Very high143 Ų14365.1 Ų65.167%0.66836%0.359SS*.Hα-helixtrans-60.2-44.1177.8-172.7176.62.900111.2G203 L209 L210 S211G203-Q207 PolarHBondContact O-N 3.08Å; Q207-L209 PolarHBondContact O-N 3.47Å; Q207-L210 PolarHBondContact O-N 3.42Å; Q207-S211 VanDerWaalsContact O-CB 3.27Å; Q207-S211 WeakPolarHBondContact O-CB 3.05Å; Q207-S211 PolarHBondContact O-N 3.38Å; Q207-S211 PolarHBondContact O-OG 2.76Å
208G91.3Very high90.8Very high10 Ų1068.4 Ų68.410%0.10338%0.38CS..Hα-helixtrans-64.4-36.9178.200000113.7H204 L205 R206 S211 C212 S213 L214H204-G208 PolarHBondContact O-N 2.88Å; L205-G208 PolarHBondContact O-N 3.41Å; R206-G208 VanDerWaalsContact C-N 3.33Å; R206-G208 PolarHBondContact O-N 2.91Å; G208-S211 PolarHBondContact O-OG 3.14Å; G208-C212 CarbonylContact O-C 3.59Å; G208-C212 PolarHBondContact O-N 2.91Å; G208-S213 PolarHBondContact O-N 3.47Å; G208-L214 PolarHBondContact O-N 3Å
209L91.8Very high91Very high0 Ų060.2 Ų60.20%035%0.348CS..Hα-helixtrans-70.1-44.4175.4-73.3165.8000111.8L153 I171 L197 L205 R206 Q207 C212 L214 F219L153-L209 HydrophobicContact CD2-CD1 4.05Å; I171-L209 HydrophobicContact CD1-CD1 4.04Å; I171-L209 HydrophobicContact CD1-CD2 4.21Å; L197-L209 HydrophobicContact CD2-CD1 3.85Å; L205-L209 WeakPolarHBondContact O-CB 3.2Å; L205-L209 WeakPolarHBondContact O-CD1 3.17Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.34Å; R206-L209 PolarHBondContact O-N 3.4Å; Q207-L209 PolarHBondContact O-N 3.47Å; L209-C212 PolarHBondContact O-N 3.13Å; L209-L214 HydrophobicContact CD2-CB 4.49Å; L209-L214 HydrophobicContact CD2-CD2 4.32Å; L209-L214 HydrophobicContact CD2-CG 4.31Å; L209-L214 HydrophobicContact CG-CD2 4.24Å; L209-F219 HydrophobicContact CD1-CD1 4.15Å; L209-F219 HydrophobicContact CD1-CD2 4.33Å; L209-F219 HydrophobicContact CD1-CE1 4.26Å; L209-F219 HydrophobicContact CD1-CE2 4.44Å; L209-F219 HydrophobicContact CD1-CG 4.19Å; L209-F219 HydrophobicContact CD1-CZ 4.4Å; L209-F219 HydrophobicContact CD2-CB 3.96Å; L209-F219 HydrophobicContact CD2-CD1 4.43Å; L209-F219 HydrophobicContact CD2-CG 4.15Å
210L88.8Confident91.3Very high65 Ų6557.5 Ų57.534%0.3433%0.334SS..Hα-helixtrans-70.4-32.4-179.8-69.7171.7000112.7L167 R206 Q207 C212L167-L210 HydrophobicContact CD1-CD2 4.07Å; R206-L210 WeakPolarHBondContact O-CB 3.38Å; R206-L210 WeakPolarHBondContact O-CG 3.15Å; R206-L210 PolarHBondContact O-N 2.9Å; Q207-L210 PolarHBondContact O-N 3.42Å; L210-C212 VanDerWaalsContact C-N 3.27Å
211S88.7Confident91.6Very high75 Ų7559.4 Ų59.452%0.52433%0.326SS..THydrogen-bonded Turntrans-84.71.817570.20000113.6Q207 G208 S213Q207-S211 VanDerWaalsContact O-CB 3.27Å; Q207-S211 WeakPolarHBondContact O-CB 3.05Å; Q207-S211 PolarHBondContact O-N 3.38Å; Q207-S211 PolarHBondContact O-OG 2.76Å; G208-S211 PolarHBondContact O-OG 3.14Å; S211-S213 PolarHBondContact O-N 2.56Å; S211-S213 VanDerWaalsContact O-N 3.09Å; S211-S213 WeakPolarHBondContact OG-CB 3.23Å
212C86.9Confident91.9Very high107 Ų10753.8 Ų53.872%0.72330%0.303SS*.THydrogen-bonded Turntrans58.113.2-173.1-59.60000114.9G208 L209 L210 L214G208-C212 CarbonylContact O-C 3.59Å; G208-C212 PolarHBondContact O-N 2.91Å; L209-C212 PolarHBondContact O-N 3.13Å; L210-C212 VanDerWaalsContact C-N 3.27Å; C212-L214 PolarHBondContact O-N 3.46Å
213S91.1Very high92.1Very high104 Ų10455.4 Ų55.473%0.72732%0.315SS*.SBendtrans-68.6-26.1172.5178.40000112.4G208 S211G208-S213 PolarHBondContact O-N 3.47Å; S211-S213 PolarHBondContact O-N 2.56Å; S211-S213 VanDerWaalsContact O-N 3.09Å; S211-S213 WeakPolarHBondContact OG-CB 3.23Å
214L92.2Very high92.2Very high32 Ų3255.8 Ų55.817%0.16832%0.315CS..SBendtrans-115.9117.2175.9-177.663.1000108.9L205 G208 L209 C212 T218 F219 M222L205-L214 HydrophobicContact CD2-CD2 4.4Å; G208-L214 PolarHBondContact O-N 3Å; L209-L214 HydrophobicContact CD2-CB 4.49Å; L209-L214 HydrophobicContact CD2-CD2 4.32Å; L209-L214 HydrophobicContact CD2-CG 4.31Å; L209-L214 HydrophobicContact CG-CD2 4.24Å; C212-L214 PolarHBondContact O-N 3.46Å; L214-T218 HydrophobicContact CD1-CG2 4.08Å; L214-F219 HydrophobicContact CD2-CB 4.04Å; L214-F219 HydrophobicContact CD2-CD2 3.87Å; L214-F219 HydrophobicContact CD2-CG 4.34Å; L214-F219 HydrophobicContact CG-CB 4.21Å; L214-M222 HydrophobicContact CD1-SD 4Å; L214-M222 HydrophobicContact CD2-SD 4.33Å
215A94.9Very high92.1Very high46 Ų4657.3 Ų57.338%0.3832%0.322SS..  trans-69.7141.3178.100000111.3E217 T218 F219A215-E217 PolarHBondContact O-N 2.81Å; A215-T218 PolarHBondContact O-N 3.02Å; A215-T218 VanDerWaalsContact O-N 3.14Å; A215-F219 PolarHBondContact O-N 2.69Å
216P94.4Very high92Very high27 Ų2761.3 Ų61.318%0.17534%0.341CS..Hα-helixtrans-55-34.9174.9-29.636.8000113.9L167 I171 A220L167-P216 HydrophobicContact CD2-CG 3.86Å; I171-P216 HydrophobicContact CG1-CB 3.9Å; P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.02Å
217E94.8Very high92.1Very high88 Ų8859.6 Ų59.641%0.41133%0.334SS..Hα-helixtrans-65.6-49.3176.1-176.6177.9-178.400111.7A215 F219 A220 R221A215-E217 PolarHBondContact O-N 2.81Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 2.73Å; E217-A220 WeakPolarHBondContact O-CB 3.5Å; E217-A220 PolarHBondContact O-N 3.18Å; E217-A220 VanDerWaalsContact O-N 3.16Å; E217-R221 PolarHBondContact O-N 3.46Å; E217-R221 VanDerWaalsContact O-N 3.15Å; E217-R221 IonicContact OE1-CZ 3.98Å; E217-R221 IonicContact OE1-NE 3.61Å; E217-R221 PolarHBondContact OE1-NE 3.15Å; E217-R221 IonicContact OE1-NH2 2.69Å; E217-R221 PolarHBondContact OE1-NH2 2.84Å
218T95.4Very high92.1Very high72 Ų7253.1 Ų53.144%0.44231%0.305SS..Hα-helixtrans-59-47.5177.4-530000109.8L214 A215 A220 R221 M222L214-T218 HydrophobicContact CD1-CG2 4.08Å; A215-T218 PolarHBondContact O-N 3.02Å; A215-T218 VanDerWaalsContact O-N 3.14Å; T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3Å; T218-R221 PolarHBondContact O-N 3.09Å; T218-M222 HydrophobicContact CG2-CG 4.4Å; T218-M222 VanDerWaalsContact O-CG 3.32Å; T218-M222 WeakPolarHBondContact O-CG 3.09Å; T218-M222 PolarHBondContact O-N 3.05Å
219F95.7Very high92.1Very high0 Ų053.9 Ų53.90%031%0.307CS..Hα-helixtrans-58.8-39.2176.6-179.6-108.2000112.5I171 K193 L197 L205 L209 L214 A215 E217 R221 M227I171-F219 HydrophobicContact CD1-CD1 3.9Å; I171-F219 HydrophobicContact CD1-CE1 4.14Å; I171-F219 HydrophobicContact CG1-CD1 4.1Å; I171-F219 HydrophobicContact CG2-CD1 3.93Å; I171-F219 HydrophobicContact CG2-CE1 4.08Å; K193-F219 HydrophobicContact CB-CE1 4.04Å; K193-F219 HydrophobicContact CB-CZ 4.11Å; K193-F219 HydrophobicContact CD-CD1 4.28Å; K193-F219 HydrophobicContact CD-CE1 3.71Å; K193-F219 HydrophobicContact CD-CE2 4.2Å; K193-F219 HydrophobicContact CD-CZ 3.65Å; K193-F219 VanDerWaalsContact CE-O 3.23Å; K193-F219 WeakPolarHBondContact CE-O 3.45Å; K193-F219 HydrophobicContact CG-CE1 4.18Å; K193-F219 HydrophobicContact CG-CZ 4.38Å; K193-F219 PolarHBondContact NZ-O 3.46Å; L197-F219 HydrophobicContact CD1-CE1 4.04Å; L197-F219 HydrophobicContact CD1-CZ 3.91Å; L197-F219 HydrophobicContact CD2-CE2 4.28Å; L197-F219 HydrophobicContact CD2-CZ 3.82Å; L197-F219 HydrophobicContact CG-CE1 4.41Å; L197-F219 HydrophobicContact CG-CZ 3.77Å; L205-F219 HydrophobicContact CD1-CE2 4.31Å; L205-F219 HydrophobicContact CD2-CE2 4.33Å; L209-F219 HydrophobicContact CD1-CD1 4.15Å; L209-F219 HydrophobicContact CD1-CD2 4.33Å; L209-F219 HydrophobicContact CD1-CE1 4.26Å; L209-F219 HydrophobicContact CD1-CE2 4.44Å; L209-F219 HydrophobicContact CD1-CG 4.19Å; L209-F219 HydrophobicContact CD1-CZ 4.4Å; L209-F219 HydrophobicContact CD2-CB 3.96Å; L209-F219 HydrophobicContact CD2-CD1 4.43Å; L209-F219 HydrophobicContact CD2-CG 4.15Å; L214-F219 HydrophobicContact CD2-CB 4.04Å; L214-F219 HydrophobicContact CD2-CD2 3.87Å; L214-F219 HydrophobicContact CD2-CG 4.34Å; L214-F219 HydrophobicContact CG-CB 4.21Å; A215-F219 PolarHBondContact O-N 2.69Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 2.73Å; F219-R221 VanDerWaalsContact C-N 3.3Å; F219-R221 PolarHBondContact O-N 3.32Å; F219-M227 HydrophobicContact CD2-SD 4.24Å; F219-M227 HydrophobicContact CE2-CG 4.26Å; F219-M227 HydrophobicContact CE2-SD 3.52Å; F219-M227 VanDerWaalsContact CE2-SD 3.52Å; F219-M227 HydrophobicContact CZ-SD 4Å
220A95.3Very high91.9Very high3 Ų357.2 Ų57.23%0.02533%0.334CS..Hα-helixtrans-63.6-34.7176.600000112.9H174 I175 L178 P216 E217 T218H174-A220 HydrophobicContact CB-CB 3.63Å; I175-A220 HydrophobicContact CG1-CB 3.71Å; L178-A220 HydrophobicContact CD1-CB 4.17Å; P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.02Å; E217-A220 WeakPolarHBondContact O-CB 3.5Å; E217-A220 PolarHBondContact O-N 3.18Å; E217-A220 VanDerWaalsContact O-N 3.16Å; T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3Å
221R94.6Very high92.1Very high159 Ų15961.2 Ų61.260%0.635%0.351SS*.Hα-helixtrans-82-29.9-179.7-67.5177.3-174.6-108.17.2114.2L178 E217 T218 F219L178-R221 HydrophobicContact CD1-CG 3.81Å; L178-R221 HydrophobicContact CD2-CG 4.3Å; E217-R221 PolarHBondContact O-N 3.46Å; E217-R221 VanDerWaalsContact O-N 3.15Å; E217-R221 IonicContact OE1-CZ 3.98Å; E217-R221 IonicContact OE1-NE 3.61Å; E217-R221 PolarHBondContact OE1-NE 3.15Å; E217-R221 IonicContact OE1-NH2 2.69Å; E217-R221 PolarHBondContact OE1-NH2 2.84Å; T218-R221 PolarHBondContact O-N 3.09Å; F219-R221 VanDerWaalsContact C-N 3.3Å; F219-R221 PolarHBondContact O-N 3.32Å
222M93.8Very high92.2Very high40 Ų4060.7 Ų60.720%0.19734%0.342CS..  trans-53.9143.9-175.8-77.4172.377.600112.7K193 L214 T218 E226 M227K193-M222 PolarHBondContact NZ-O 3.41Å; L214-M222 HydrophobicContact CD1-SD 4Å; L214-M222 HydrophobicContact CD2-SD 4.33Å; T218-M222 HydrophobicContact CG2-CG 4.4Å; T218-M222 VanDerWaalsContact O-CG 3.32Å; T218-M222 WeakPolarHBondContact O-CG 3.09Å; T218-M222 PolarHBondContact O-N 3.05Å; M222-E226 VanDerWaalsContact CA-OE2 3.31Å; M222-E226 WeakPolarHBondContact CA-OE2 3.38Å; M222-E226 HydrophobicContact CB-CB 4.41Å; M222-E226 HydrophobicContact CE-CB 4.01Å; M222-E226 WeakPolarHBondContact CE-O 3.13Å; M222-M227 HydrophobicContact CB-CG 4Å; M222-M227 HydrophobicContact CE-CG 4.08Å
223S93Very high92.4Very high39 Ų3961.8 Ų61.827%0.27333%0.331SS..  trans-78.6171.1175.188.80000112.4E225 E226 M227S223-E225 WeakPolarHBondContact CB-OE2 3.32Å; S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 PolarHBondContact OG-N 3.03Å; S223-E225 PolarHBondContact OG-OE2 2.98Å; S223-E226 PolarHBondContact N-OE2 2.98Å; S223-E226 PolarHBondContact O-N 3.19Å; S223-E226 PolarHBondContact OG-N 3.47Å; S223-M227 WeakPolarHBondContact O-CE 3.31Å; S223-M227 WeakPolarHBondContact O-CG 3.42Å; S223-M227 PolarHBondContact O-N 3.15Å; S223-M227 VanDerWaalsContact O-N 3.17Å
224A90.6Very high92.5Very high37 Ų3763 Ų6331%0.30633%0.326SS..THydrogen-bonded Turntrans-68.2-25.5174.700000112.3M227A224-M227 HydrophobicContact CB-CE 4.47Å
225E88.9Confident92.6Very high115 Ų11565.1 Ų65.154%0.53734%0.336SS..THydrogen-bonded Turntrans-73.4-43.3175.8-57.172.5-153.300111S223 A228S223-E225 WeakPolarHBondContact CB-OE2 3.32Å; S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 PolarHBondContact OG-N 3.03Å; S223-E225 PolarHBondContact OG-OE2 2.98Å; E225-A228 WeakPolarHBondContact O-CB 3.36Å; E225-A228 PolarHBondContact O-N 3.14Å
226E90.4Very high92.6Very high88 Ų8868 Ų6841%0.41134%0.338SS..THydrogen-bonded Turntrans-71.5-29.4-179.8-68.1173.4159.400113.5M222 S223 A228M222-E226 VanDerWaalsContact CA-OE2 3.31Å; M222-E226 WeakPolarHBondContact CA-OE2 3.38Å; M222-E226 HydrophobicContact CB-CB 4.41Å; M222-E226 HydrophobicContact CE-CB 4.01Å; M222-E226 WeakPolarHBondContact CE-O 3.13Å; S223-E226 PolarHBondContact N-OE2 2.98Å; S223-E226 PolarHBondContact O-N 3.19Å; S223-E226 PolarHBondContact OG-N 3.47Å; E226-A228 VanDerWaalsContact C-N 3.26Å; E226-A228 PolarHBondContact O-N 3.28Å
227M91.9Very high92.6Very high1 Ų173 Ų731%0.00536%0.358CS..THydrogen-bonded Turntrans-75.7-10.9175.8-74.1-172.6-65.500114K193 N196 L205 F219 M222 S223 A224K193-M227 HydrophobicContact CD-CE 3.86Å; K193-M227 HydrophobicContact CD-SD 3.52Å; K193-M227 VanDerWaalsContact CD-SD 3.52Å; K193-M227 PolarHBondContact NZ-SD 3.35Å; N196-M227 HydrophobicContact CB-CB 4.49Å; N196-M227 HydrophobicContact CB-CE 4.18Å; N196-M227 HydrophobicContact CB-SD 4.12Å; N196-M227 WeakPolarHBondContact ND2-CE 3.43Å; L205-M227 HydrophobicContact CD1-CB 4.01Å; L205-M227 HydrophobicContact CD1-CG 4.39Å; L205-M227 HydrophobicContact CD2-CB 4.3Å; L205-M227 HydrophobicContact CD2-CG 4.31Å; F219-M227 HydrophobicContact CD2-SD 4.24Å; F219-M227 HydrophobicContact CE2-CG 4.26Å; F219-M227 HydrophobicContact CE2-SD 3.52Å; F219-M227 VanDerWaalsContact CE2-SD 3.52Å; F219-M227 HydrophobicContact CZ-SD 4Å; M222-M227 HydrophobicContact CB-CG 4Å; M222-M227 HydrophobicContact CE-CG 4.08Å; S223-M227 WeakPolarHBondContact O-CE 3.31Å; S223-M227 WeakPolarHBondContact O-CG 3.42Å; S223-M227 PolarHBondContact O-N 3.15Å; S223-M227 VanDerWaalsContact O-N 3.17Å; A224-M227 HydrophobicContact CB-CE 4.47Å
228A89.5Confident92.6Very high7 Ų773.2 Ų73.26%0.05836%0.359CS..SBendtrans-68.2153.717900000111.2E225 E226 L232 R236E225-A228 WeakPolarHBondContact O-CB 3.36Å; E225-A228 PolarHBondContact O-N 3.14Å; E226-A228 VanDerWaalsContact C-N 3.26Å; E226-A228 PolarHBondContact O-N 3.28Å; A228-L232 HydrophobicContact CB-CB 4.36Å; A228-L232 HydrophobicContact CB-CD2 4.18Å; A228-L232 HydrophobicContact CB-CG 4.38Å; A228-R236 VanDerWaalsContact CB-NH1 3.33Å
229N91.1Very high92.7Very high27 Ų2776.8 Ų76.814%0.14437%0.366CS..  trans-58.8158.2171.375.2-0.3000111.5N202 E231 L232 R233N202-N229 PolarHBondContact OD1-N 2.95Å; N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 3.05Å; N229-L232 PolarHBondContact O-N 2.84Å; N229-L232 WeakPolarHBondContact OD1-CA 3.47Å; N229-L232 WeakPolarHBondContact OD1-CB 3.48Å; N229-L232 PolarHBondContact OD1-N 3.31Å; N229-R233 WeakPolarHBondContact O-CB 3.25Å; N229-R233 PolarHBondContact O-N 2.98Å
230A88.8Confident92.6Very high69 Ų6980.5 Ų80.557%0.5739%0.392SS*.Hα-helixtrans-56.9-42.5-174.700000112.5R233 Q234A230-R233 PolarHBondContact O-N 3.03Å; A230-Q234 WeakPolarHBondContact O-CB 3.31Å; A230-Q234 WeakPolarHBondContact O-CG 3.33Å; A230-Q234 PolarHBondContact O-N 3.38Å
231E91.9Very high92.6Very high149 Ų14983.6 Ų83.670%0.69641%0.413SS*.Hα-helixtrans-60.9-48.9178.5-64.8176.8175.900112.4N229 R233 Q234 L235N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 3.05Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 2.98Å; E231-Q234 PolarHBondContact O-N 3.5Å; E231-L235 VanDerWaalsContact O-CB 3.32Å; E231-L235 WeakPolarHBondContact O-CB 3.4Å; E231-L235 PolarHBondContact O-N 2.62Å
232L90.1Very high92.6Very high64 Ų6481.5 Ų81.534%0.33541%0.405SS..Hα-helixtrans-69-33.3-179.9-176.159.5000111.5A228 N229 R236A228-L232 HydrophobicContact CB-CB 4.36Å; A228-L232 HydrophobicContact CB-CD2 4.18Å; A228-L232 HydrophobicContact CB-CG 4.38Å; N229-L232 PolarHBondContact O-N 2.84Å; N229-L232 WeakPolarHBondContact OD1-CA 3.47Å; N229-L232 WeakPolarHBondContact OD1-CB 3.48Å; N229-L232 PolarHBondContact OD1-N 3.31Å; L232-R236 HydrophobicContact CD1-CG 4.48Å; L232-R236 WeakPolarHBondContact O-CB 3.34Å; L232-R236 WeakPolarHBondContact O-CD 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.32Å; L232-R236 PolarHBondContact O-N 3.22Å
233R91.1Very high92.6Very high130 Ų13080.7 Ų80.749%0.49141%0.408SS..Hα-helixtrans-63.7-49.2174.2-175.9177176169.11.3110.9N229 A230 E231 L235 R236 E237N229-R233 WeakPolarHBondContact O-CB 3.25Å; N229-R233 PolarHBondContact O-N 2.98Å; A230-R233 PolarHBondContact O-N 3.03Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 2.98Å; R233-L235 VanDerWaalsContact C-N 3.34Å; R233-L235 PolarHBondContact O-N 2.96Å; R233-R236 PolarHBondContact O-N 3.04Å; R233-E237 WeakPolarHBondContact O-CB 3.47Å; R233-E237 PolarHBondContact O-N 3.49Å
234Q93.4Very high92.7Very high131 Ų13183 Ų8361%0.61242%0.419SS*.Hα-helixtrans-60.3-44.9176-74.2175.4-3.900111.4A230 E231 R236 E237 E238A230-Q234 WeakPolarHBondContact O-CB 3.31Å; A230-Q234 WeakPolarHBondContact O-CG 3.33Å; A230-Q234 PolarHBondContact O-N 3.38Å; E231-Q234 PolarHBondContact O-N 3.5Å; Q234-R236 VanDerWaalsContact C-N 3.34Å; Q234-R236 PolarHBondContact O-N 3.46Å; Q234-E237 PolarHBondContact O-N 3.39Å; Q234-E238 WeakPolarHBondContact O-CB 3.44Å; Q234-E238 PolarHBondContact O-N 2.99Å
235L94.6Very high92.6Very high75 Ų7584.7 Ų84.739%0.39343%0.429SS..Hα-helixtrans-61.6-42.6179.1-171.365.8000111.9E231 R233 E238 Y239E231-L235 VanDerWaalsContact O-CB 3.32Å; E231-L235 WeakPolarHBondContact O-CB 3.4Å; E231-L235 PolarHBondContact O-N 2.62Å; R233-L235 VanDerWaalsContact C-N 3.34Å; R233-L235 PolarHBondContact O-N 2.96Å; L235-E238 PolarHBondContact O-N 3.35Å; L235-Y239 HydrophobicContact CD1-CD2 4Å; L235-Y239 HydrophobicContact CD1-CE2 3.49Å; L235-Y239 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y239 HydrophobicContact CD2-CE2 4.1Å; L235-Y239 HydrophobicContact CG-CD2 3.81Å; L235-Y239 HydrophobicContact CG-CE2 3.56Å; L235-Y239 WeakPolarHBondContact O-CD2 3.4Å; L235-Y239 PolarHBondContact O-N 3.36Å
236R94.3Very high92.7Very high108 Ų10885.9 Ų85.941%0.40844%0.435SS..Hα-helixtrans-62.9-42.7174.8-75167.7179.5172.9-1.7111.9A228 L232 R233 Q234 S240A228-R236 VanDerWaalsContact CB-NH1 3.33Å; L232-R236 HydrophobicContact CD1-CG 4.48Å; L232-R236 WeakPolarHBondContact O-CB 3.34Å; L232-R236 WeakPolarHBondContact O-CD 3.24Å; L232-R236 WeakPolarHBondContact O-CG 3.32Å; L232-R236 PolarHBondContact O-N 3.22Å; R233-R236 PolarHBondContact O-N 3.04Å; Q234-R236 VanDerWaalsContact C-N 3.34Å; Q234-R236 PolarHBondContact O-N 3.46Å; R236-S240 VanDerWaalsContact O-CB 3.27Å; R236-S240 WeakPolarHBondContact O-CB 3.5Å; R236-S240 PolarHBondContact O-N 3.43Å
237E94.5Very high92.8Very high131 Ų13192 Ų9261%0.61245%0.454SS*.Hα-helixtrans-63.7-41.6177.4-176169.1-160.900111.5R233 Q234 S240 S241R233-E237 WeakPolarHBondContact O-CB 3.47Å; R233-E237 PolarHBondContact O-N 3.49Å; Q234-E237 PolarHBondContact O-N 3.39Å; E237-S240 PolarHBondContact O-N 3.23Å; E237-S241 VanDerWaalsContact O-CB 3.31Å; E237-S241 WeakPolarHBondContact O-CB 3.38Å; E237-S241 PolarHBondContact O-N 3.03Å; E237-S241 PolarHBondContact O-OG 2.69Å
238E96.3Very high92.5Very high92 Ų9297.6 Ų97.643%0.4348%0.48SS..Hα-helixtrans-63.8-50.3175.5-168.4-163.3149.700111.6Q234 L235 S240 S241 R242Q234-E238 WeakPolarHBondContact O-CB 3.44Å; Q234-E238 PolarHBondContact O-N 2.99Å; L235-E238 PolarHBondContact O-N 3.35Å; E238-S240 VanDerWaalsContact C-N 3.26Å; E238-S240 PolarHBondContact O-N 2.87Å; E238-S241 PolarHBondContact O-N 3.08Å; E238-S241 PolarHBondContact O-OG 2.94Å; E238-R242 HydrophobicContact CG-CG 4.37Å; E238-R242 VanDerWaalsContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CB 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.36Å; E238-R242 PolarHBondContact O-N 2.76Å; E238-R242 IonicContact OE1-NH1 2.93Å
239Y96.1Very high92.3Very high148 Ų148104.7 Ų104.758%0.5852%0.517SS*.Hα-helixtrans-61.5-38176.6-81.5-64.3000112.1L235 G243L235-Y239 HydrophobicContact CD1-CD2 4Å; L235-Y239 HydrophobicContact CD1-CE2 3.49Å; L235-Y239 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y239 HydrophobicContact CD2-CE2 4.1Å; L235-Y239 HydrophobicContact CG-CD2 3.81Å; L235-Y239 HydrophobicContact CG-CE2 3.56Å; L235-Y239 WeakPolarHBondContact O-CD2 3.4Å; L235-Y239 PolarHBondContact O-N 3.36Å; Y239-G243 PolarHBondContact O-N 3.19Å
240S94.6Very high91.6Very high78 Ų78109 Ų10955%0.54555%0.546SS..Hα-helixtrans-67.9-43.7177.5-167.40000111.6R236 E237 E238 G243 V244R236-S240 VanDerWaalsContact O-CB 3.27Å; R236-S240 WeakPolarHBondContact O-CB 3.5Å; R236-S240 PolarHBondContact O-N 3.43Å; E237-S240 PolarHBondContact O-N 3.23Å; E238-S240 VanDerWaalsContact C-N 3.26Å; E238-S240 PolarHBondContact O-N 2.87Å; S240-G243 PolarHBondContact O-N 3.36Å; S240-V244 VanDerWaalsContact O-CG2 3.28Å; S240-V244 WeakPolarHBondContact O-CG2 3.29Å; S240-V244 PolarHBondContact O-N 3.46Å
241S94.8Very high90.7Very high68 Ų68113.1 Ų113.148%0.47655%0.553SS.*Hα-helixtrans-68.7-40.7-179.668.50000111.3E237 E238 V244 S245E237-S241 VanDerWaalsContact O-CB 3.31Å; E237-S241 WeakPolarHBondContact O-CB 3.38Å; E237-S241 PolarHBondContact O-N 3.03Å; E237-S241 PolarHBondContact O-OG 2.69Å; E238-S241 PolarHBondContact O-N 3.08Å; E238-S241 PolarHBondContact O-OG 2.94Å; S241-V244 PolarHBondContact O-N 3.47Å; S241-S245 WeakPolarHBondContact O-CB 3.46Å; S241-S245 PolarHBondContact O-N 3.47Å
242R94.3Very high89.5Confident114 Ų114108.9 Ų108.943%0.4355%0.55SS..Hα-helixtrans-62.4-46.8172.2-71.9179.459.1-171.4-4.9112.2E238 V244 S245 E246E238-R242 HydrophobicContact CG-CG 4.37Å; E238-R242 VanDerWaalsContact O-CB 3.27Å; E238-R242 WeakPolarHBondContact O-CB 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.36Å; E238-R242 PolarHBondContact O-N 2.76Å; E238-R242 IonicContact OE1-NH1 2.93Å; R242-V244 VanDerWaalsContact C-N 3.26Å; R242-V244 PolarHBondContact O-N 3.33Å; R242-S245 PolarHBondContact O-N 3.39Å; R242-S245 VanDerWaalsContact O-N 3.12Å; R242-E246 IonicContact NH2-OE1 3.75Å; R242-E246 WeakPolarHBondContact O-CB 3.38Å; R242-E246 WeakPolarHBondContact O-CG 3.25Å; R242-E246 PolarHBondContact O-N 3.13Å
243G95.1Very high88.2Confident24 Ų24113.8 Ų113.825%0.24758%0.575CS.*Hα-helixtrans-62-34177.700000113Y239 S240 R247Y239-G243 PolarHBondContact O-N 3.19Å; S240-G243 PolarHBondContact O-N 3.36Å; G243-R247 WeakPolarHBondContact O-CD 3.45Å; G243-R247 VanDerWaalsContact O-CG 3.29Å; G243-R247 WeakPolarHBondContact O-CG 3.26Å
244V93.4Very high87.1Confident86 Ų86113.3 Ų113.352%0.52158%0.579SS.*Hα-helixtrans-68-50.5170.8170.50000110.1S240 S241 R242 E246 R247 Q248S240-V244 VanDerWaalsContact O-CG2 3.28Å; S240-V244 WeakPolarHBondContact O-CG2 3.29Å; S240-V244 PolarHBondContact O-N 3.46Å; S241-V244 PolarHBondContact O-N 3.47Å; R242-V244 VanDerWaalsContact C-N 3.26Å; R242-V244 PolarHBondContact O-N 3.33Å; V244-E246 PolarHBondContact O-N 2.9Å; V244-R247 CarbonylContact O-C 3.44Å; V244-R247 PolarHBondContact O-N 2.91Å; V244-Q248 WeakPolarHBondContact O-CG 3.46Å; V244-Q248 PolarHBondContact O-N 3.05Å; V244-Q248 VanDerWaalsContact O-N 3.11Å
245S90.1Very high86.4Confident73 Ų73107.5 Ų107.551%0.5155%0.554SS.*Hα-helixtrans-60-43.8-177.7-1710000113.1S241 R242 R247 Q248S241-S245 WeakPolarHBondContact O-CB 3.46Å; S241-S245 PolarHBondContact O-N 3.47Å; R242-S245 PolarHBondContact O-N 3.39Å; R242-S245 VanDerWaalsContact O-N 3.12Å; S245-R247 PolarHBondContact O-N 3.32Å; S245-Q248 WeakPolarHBondContact O-CB 3.02Å; S245-Q248 PolarHBondContact O-N 3.11Å
246E90.8Very high86Confident141 Ų141108.6 Ų108.666%0.65956%0.564SS**Hα-helixtrans-64.7-27.1179.3-74.6173.7-171.300112.5R242 V244R242-E246 IonicContact NH2-OE1 3.75Å; R242-E246 WeakPolarHBondContact O-CB 3.38Å; R242-E246 WeakPolarHBondContact O-CG 3.25Å; R242-E246 PolarHBondContact O-N 3.13Å; V244-E246 PolarHBondContact O-N 2.9Å
247R91.4Very high85.7Confident217 Ų217108 Ų10882%0.81957%0.574SS**THydrogen-bonded Turntrans-97.60.2-179.6-64.7176.5-173.2-121.40.2113.1G243 V244 S245 L249G243-R247 WeakPolarHBondContact O-CD 3.45Å; G243-R247 VanDerWaalsContact O-CG 3.29Å; G243-R247 WeakPolarHBondContact O-CG 3.26Å; V244-R247 CarbonylContact O-C 3.44Å; V244-R247 PolarHBondContact O-N 2.91Å; S245-R247 PolarHBondContact O-N 3.32Å; R247-L249 PolarHBondContact O-N 3.17Å
248Q86Confident85.3Confident118 Ų118102.8 Ų102.855%0.55155%0.551SS**SBendtrans-63.3128.9172.6-76.8178.2-2.500108.5V244 S245V244-Q248 WeakPolarHBondContact O-CG 3.46Å; V244-Q248 PolarHBondContact O-N 3.05Å; V244-Q248 VanDerWaalsContact O-N 3.11Å; S245-Q248 WeakPolarHBondContact O-CB 3.02Å; S245-Q248 PolarHBondContact O-N 3.11Å
249L84.9Confident84.9Confident156 Ų156105.9 Ų105.982%0.81757%0.565SS**PPolyproline II helixtrans-56.5137.9168-74.1162.2000107.5R247 Q251R247-L249 PolarHBondContact O-N 3.17Å; L249-Q251 PolarHBondContact O-N 2.92Å
250P77.6Confident84.5Confident118 Ų118107.5 Ų107.577%0.76658%0.575SS**PPolyproline II helixtrans-46.7122.5169.9-26.133.5000108G252P250-G252 PolarHBondContact O-N 3.35Å
251Q70.1Confident84Confident155 Ų155104.9 Ų104.972%0.72456%0.556SS**PPolyproline II helixtrans-53.6121.9170.8-69.9-179.5-14.500105.5L249 L253L249-Q251 PolarHBondContact O-N 2.92Å; Q251-L253 PolarHBondContact O-N 3.26Å
252G66.3Low83.8Confident60 Ų60110.8 Ų110.862%0.61957%0.568SS**PPolyproline II helixtrans-51.2143-170.800000109.9P250 E254P250-G252 PolarHBondContact O-N 3.35Å; G252-E254 VanDerWaalsContact C-N 3.34Å; G252-E254 WeakPolarHBondContact O-CA 3.26Å; G252-E254 PolarHBondContact O-N 3.45Å
253L63.5Low83.5Confident166 Ų166105.5 Ų105.587%0.86955%0.548SS*.  trans-3697.4-177.1-84.8128.8000110.6Q251 G255Q251-L253 PolarHBondContact O-N 3.26Å; L253-G255 PolarHBondContact O-N 3.1Å
254E67.6Low83.1Confident121 Ų121114.1 Ų114.157%0.56558%0.579SS**  trans-7399.8-175.5-95.6-159.3164.100105.8G252 R272G252-E254 VanDerWaalsContact C-N 3.34Å; G252-E254 WeakPolarHBondContact O-CA 3.26Å; G252-E254 PolarHBondContact O-N 3.45Å; E254-R272 IonicContact OE1-CZ 3.32Å; E254-R272 IonicContact OE1-NH1 3.5Å; E254-R272 PolarHBondContact OE1-NH1 3Å; E254-R272 IonicContact OE1-NH2 2.75Å; E254-R272 PolarHBondContact OE1-NH2 2.92Å; E254-R272 IonicContact OE2-CZ 3.38Å; E254-R272 IonicContact OE2-NH1 2.8Å; E254-R272 PolarHBondContact OE2-NH1 3.11Å; E254-R272 IonicContact OE2-NH2 3.14Å; E254-R272 PolarHBondContact OE2-NH2 3.1Å; E254-R272 VanDerWaalsContact OE2-NH2 3.14Å
255G77.9Confident82.9Confident8 Ų8118.5 Ų118.58%0.08259%0.586CS.*PPolyproline II helixtrans-52.3155.3172.700000110.4L253 P257 R272 V273L253-G255 PolarHBondContact O-N 3.1Å; G255-P257 WeakPolarHBondContact O-CD 3.44Å; G255-R272 PolarHBondContact O-NH1 3.23Å; G255-V273 CarbonylContact C-O 3.59Å; G255-V273 VanDerWaalsContact C-O 3.3Å; G255-V273 WeakPolarHBondContact CA-O 3.25Å
256T86.1Confident83Confident98 Ų98118.3 Ų118.360%0.60158%0.584SS**EExtended strand (participates in β ladder)trans-59.5120.3179.948.40000109.3T258 R272 V273T256-T258 PolarHBondContact O-N 3.38Å; T256-R272 WeakPolarHBondContact O-CA 3.15Å; T256-V273 PolarHBondContact N-O 3.35Å; T256-V273 PolarHBondContact O-N 3.12Å; T256-V273 PolarHBondContact OG1-O 3.13Å
257P88.5Confident82.9Confident96 Ų96113.9 Ų113.962%0.62358%0.576SS**EExtended strand (participates in β ladder)trans-66.3134.417926.8-32.8000109.4G255 C271G255-P257 WeakPolarHBondContact O-CD 3.44Å; P257-C271 CarbonylContact C-O 3.55Å
258T87.1Confident82.7Confident21 Ų21104.9 Ų104.913%0.12955%0.551CS.*EExtended strand (participates in β ladder)trans-137.2137.3179.4-172.20000110.2T256 K260 V261 C271 V273T256-T258 PolarHBondContact O-N 3.38Å; T258-K260 PolarHBondContact OG1-N 3.11Å; T258-V261 HydrophobicContact CG2-CB 4.39Å; T258-V261 HydrophobicContact CG2-CG2 4.15Å; T258-C271 HydrophobicContact CG2-CB 4.16Å; T258-C271 PolarHBondContact N-O 3.05Å; T258-C271 PolarHBondContact O-N 3.24Å; T258-C271 VanDerWaalsContact O-O 3.06Å; T258-V273 HydrophobicContact CG2-CG2 3.44Å; T258-V273 VanDerWaalsContact CG2-CG2 3.44Å
259Q87.9Confident82.8Confident157 Ų157101.8 Ų101.873%0.73454%0.543SS*.SBendtrans-100.6-2.3169.8-61.4-176.68.100112.7V261 S269Q259-V261 VanDerWaalsContact C-N 3.26Å; Q259-V261 PolarHBondContact O-N 3.35Å; Q259-S269 WeakPolarHBondContact CA-O 3.32Å
260K86.3Confident83Confident183 Ų18398.7 Ų98.780%0.79653%0.527SS*.SBendtrans-74.4-18.8-177.7-66.1-175.2177.8179.30112.7T258T258-K260 PolarHBondContact OG1-N 3.11Å
261V85.3Confident83.6Confident23 Ų2393.1 Ų93.114%0.13949%0.491CS..SBendtrans-113.1128.9-179-167.90000108.7T258 Q259 C271 V300 W309T258-V261 HydrophobicContact CG2-CB 4.39Å; T258-V261 HydrophobicContact CG2-CG2 4.15Å; Q259-V261 VanDerWaalsContact C-N 3.26Å; Q259-V261 PolarHBondContact O-N 3.35Å; V261-C271 PolarHBondContact O-SG 2.97Å; V261-C271 VanDerWaalsContact O-SG 3.42Å; V261-V300 HydrophobicContact CG1-CG1 4.43Å; V261-W309 HydrophobicContact CG1-CZ2 3.73Å
262R89.4Confident84.5Confident191 Ų19189 Ų8972%0.72147%0.468SS*.  trans-98.2137.1174.2-77.1-169.3-85-127.9-0.2110.8K264 G268R262-K264 PolarHBondContact O-N 3.42Å; R262-G268 WeakPolarHBondContact CA-O 3.46Å
263C89.1Confident85.6Confident3 Ų386.8 Ų86.82%0.0244%0.443CS..  trans-66.5127.2174.3-177.20000110.5R265 C266 G267 G268 C302 C305 W309C263-R265 PolarHBondContact O-N 2.96Å; C263-R265 PolarHBondContact SG-N 3.08Å; C263-R265 VanDerWaalsContact SG-N 3.4Å; C263-C266 VanDerWaalsContact CB-SG 3.56Å; C263-G267 WeakPolarHBondContact O-CA 3.37Å; C263-G267 PolarHBondContact O-N 3.08Å; C263-G268 PolarHBondContact N-O 3.28Å; C263-C302 HydrophobicContact CB-CB 3.93Å; C263-C305 PolarHBondContact SG-SG 3.45Å; C263-W309 HydrophobicContact CB-CH2 4.2Å
264K87Confident86.7Confident206 Ų20680.4 Ų80.490%0.89641%0.411SS*.THydrogen-bonded Turntrans-66.8-20.2177.2-64.3-175.1179.91800113.6R262R262-K264 PolarHBondContact O-N 3.42Å
265R88.8Confident87.4Confident178 Ų17880.8 Ų80.867%0.67241%0.413SS*.THydrogen-bonded Turntrans-89.4-49.7-176.9-169-177.9-175.9-145.40.7112.9C263C263-R265 PolarHBondContact O-N 2.96Å; C263-R265 PolarHBondContact SG-N 3.08Å; C263-R265 VanDerWaalsContact SG-N 3.4Å
266C90.7Very high87.5Confident68 Ų6882.2 Ų82.246%0.45942%0.42SS..THydrogen-bonded Turntrans-109.1-5.8-176.165.50000114.3C263 G268 C305C263-C266 VanDerWaalsContact CB-SG 3.56Å; C266-G268 PolarHBondContact O-N 2.96Å; C266-G268 VanDerWaalsContact O-N 3.09Å; C266-C305 HydrophobicContact CB-CB 4.11Å; C266-C305 VanDerWaalsContact SG-SG 3.69Å
267G88.7Confident87.1Confident48 Ų4880.4 Ų80.450%0.49541%0.411SS..  trans72.4-7.4-177.200000115.2C263C263-G267 WeakPolarHBondContact O-CA 3.37Å; C263-G267 PolarHBondContact O-N 3.08Å
268G88.1Confident86.5Confident29 Ų2977.3 Ų77.330%0.29939%0.387SS..  trans-64.8148.6-179.900000113.2R262 C263 C266R262-G268 WeakPolarHBondContact CA-O 3.46Å; C263-G268 PolarHBondContact N-O 3.28Å; C266-G268 PolarHBondContact O-N 2.96Å; C266-G268 VanDerWaalsContact O-N 3.09Å
269S88.3Confident85.6Confident53 Ų5378.9 Ų78.937%0.37141%0.407SS..  trans-95.4-5177.250.60000113.7Q259 C271Q259-S269 WeakPolarHBondContact CA-O 3.32Å; S269-C271 PolarHBondContact O-N 3.39Å
270D89.3Confident84.9Confident91 Ų9174.5 Ų74.549%0.48740%0.398SS..  trans-7988.4176.2-175.130.9000110.4G303D270-G303 PolarHBondContact O-N 3.02Å
271C89.1Confident84.3Confident0 Ų067.7 Ų67.70%037%0.37CS..EExtended strand (participates in β ladder)trans-122.6146.8179-63.30000110.4P257 T258 V261 S269 V300 T301P257-C271 CarbonylContact C-O 3.55Å; T258-C271 HydrophobicContact CG2-CB 4.16Å; T258-C271 PolarHBondContact N-O 3.05Å; T258-C271 PolarHBondContact O-N 3.24Å; T258-C271 VanDerWaalsContact O-O 3.06Å; V261-C271 PolarHBondContact O-SG 2.97Å; V261-C271 VanDerWaalsContact O-SG 3.42Å; S269-C271 PolarHBondContact O-N 3.39Å; C271-V300 HydrophobicContact CB-CG1 3.75Å; C271-T301 CarbonylContact C-O 3.55Å; C271-T301 WeakPolarHBondContact CA-O 3.33Å
272R89.8Confident83.8Confident68 Ų6876.6 Ų76.626%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-115.1135.2175.5-70179.5178.2-108.816.5109.9E254 G255 T256 V300 T301E254-R272 IonicContact OE1-CZ 3.32Å; E254-R272 IonicContact OE1-NH1 3.5Å; E254-R272 PolarHBondContact OE1-NH1 3Å; E254-R272 IonicContact OE1-NH2 2.75Å; E254-R272 PolarHBondContact OE1-NH2 2.92Å; E254-R272 IonicContact OE2-CZ 3.38Å; E254-R272 IonicContact OE2-NH1 2.8Å; E254-R272 PolarHBondContact OE2-NH1 3.11Å; E254-R272 IonicContact OE2-NH2 3.14Å; E254-R272 PolarHBondContact OE2-NH2 3.1Å; E254-R272 VanDerWaalsContact OE2-NH2 3.14Å; G255-R272 PolarHBondContact O-NH1 3.23Å; T256-R272 WeakPolarHBondContact O-CA 3.15Å; R272-V300 CarbonylContact O-C 3.52Å; R272-V300 WeakPolarHBondContact O-CA 3.48Å; R272-T301 PolarHBondContact N-O 3.23Å; R272-T301 PolarHBondContact O-N 2.87Å
273V88.7Confident82.9Confident14 Ų1469.5 Ų69.59%0.08538%0.383CS..EExtended strand (participates in β ladder)trans-105.4124.8-179.4-175.20000109.7G255 T256 T258 T298 F299 V300G255-V273 CarbonylContact C-O 3.59Å; G255-V273 VanDerWaalsContact C-O 3.3Å; G255-V273 WeakPolarHBondContact CA-O 3.25Å; T256-V273 PolarHBondContact N-O 3.35Å; T256-V273 PolarHBondContact O-N 3.12Å; T256-V273 PolarHBondContact OG1-O 3.13Å; T258-V273 HydrophobicContact CG2-CG2 3.44Å; T258-V273 VanDerWaalsContact CG2-CG2 3.44Å; V273-T298 HydrophobicContact CG1-CG2 3.23Å; V273-F299 CarbonylContact C-O 3.45Å; V273-F299 WeakPolarHBondContact CA-O 3.43Å; V273-V300 HydrophobicContact CG2-CG1 4.49Å; V273-V300 HydrophobicContact CG2-CG2 4.22Å
274T86.8Confident82.1Confident33 Ų3372.3 Ų72.320%0.20240%0.401CS..EExtended strand (participates in β ladder)trans-118.1118.8176.8-50.60000108.7V276 F299T274-V276 HydrophobicContact CG2-CG2 3.98Å; T274-F299 PolarHBondContact N-O 2.97Å; T274-F299 PolarHBondContact O-N 3.02Å
275Q83.6Confident81.2Confident128 Ų12865.8 Ų65.860%0.59839%0.386SS*.EExtended strand (participates in β ladder)trans-91.3124.4173.1-166.6175.321.600108.9A296 M297Q275-A296 HydrophobicContact CG-CB 3.81Å; Q275-A296 VanDerWaalsContact NE2-CB 3.31Å; Q275-M297 WeakPolarHBondContact CA-O 3.08Å
276V80.1Confident80Confident38 Ų3866.6 Ų66.623%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-124.5127.8-178.3-173.10000108.6T274 A280 L281 M297 F299T274-V276 HydrophobicContact CG2-CG2 3.98Å; V276-A280 HydrophobicContact CG1-CB 4.2Å; V276-L281 HydrophobicContact CG1-CD1 4.43Å; V276-L281 HydrophobicContact CG1-CD2 3.81Å; V276-L281 HydrophobicContact CG1-CG 3.88Å; V276-M297 PolarHBondContact N-O 3.06Å; V276-M297 PolarHBondContact O-N 2.75Å; V276-F299 HydrophobicContact CB-CD2 4.33Å; V276-F299 HydrophobicContact CB-CE2 4.18Å; V276-F299 HydrophobicContact CG2-CD2 3.96Å; V276-F299 HydrophobicContact CG2-CE2 4.24Å
277S77.6Confident78.7Confident60 Ų6064.9 Ų64.942%0.4238%0.376SS..EExtended strand (participates in β ladder)trans-65.8142.3174.658.40000111G279 A280 D295S277-G279 PolarHBondContact O-N 3.4Å; S277-A280 WeakPolarHBondContact O-CB 3.32Å; S277-A280 PolarHBondContact O-N 3.07Å; S277-D295 CarbonylContact C-O 3.55Å; S277-D295 WeakPolarHBondContact CA-O 3.22Å
278R74.5Confident77.4Confident32 Ų3268.3 Ų68.312%0.12137%0.374CS..G310 helixtrans-61.9-29.4-179.6-71.7174.673.4105.6-12.3112.8A280 L281 L283 V287 E294 D295 M297R278-A280 VanDerWaalsContact C-N 3.31Å; R278-A280 PolarHBondContact O-N 2.93Å; R278-L281 PolarHBondContact O-N 2.99Å; R278-L283 HydrophobicContact CB-CD1 4.4Å; R278-V287 PolarHBondContact NH2-O 3.45Å; R278-E294 WeakPolarHBondContact CD-O 3.46Å; R278-D295 PolarHBondContact N-O 3.35Å; R278-M297 HydrophobicContact CG-CE 3.91Å; R278-M297 HydrophobicContact CG-CG 4.04Å
279G69.7Low75.9Confident53 Ų5377 Ų7755%0.54640%0.398SS..G310 helixtrans-63.8-31.7173.700000113.8S277 L281S277-G279 PolarHBondContact O-N 3.4Å; G279-L281 VanDerWaalsContact C-N 3.32Å
280A72.9Confident74.6Confident65 Ų6576.2 Ų76.254%0.53740%0.398SS..G310 helixtrans-80-14.3178.200000113.3V276 S277 R278V276-A280 HydrophobicContact CG1-CB 4.2Å; S277-A280 WeakPolarHBondContact O-CB 3.32Å; S277-A280 PolarHBondContact O-N 3.07Å; R278-A280 VanDerWaalsContact C-N 3.31Å; R278-A280 PolarHBondContact O-N 2.93Å
281L72.1Confident73.3Confident41 Ų4173.8 Ų73.822%0.21540%0.395CS..SBendtrans-87.1145.1177.2-63.4169.8000110.7V276 R278 G279 L283 R288 M297 F299V276-L281 HydrophobicContact CG1-CD1 4.43Å; V276-L281 HydrophobicContact CG1-CD2 3.81Å; V276-L281 HydrophobicContact CG1-CG 3.88Å; R278-L281 PolarHBondContact O-N 2.99Å; G279-L281 VanDerWaalsContact C-N 3.32Å; L281-L283 HydrophobicContact CB-CD1 3.69Å; L281-L283 HydrophobicContact CB-CG 3.73Å; L281-L283 HydrophobicContact CD1-CD1 3.96Å; L281-L283 HydrophobicContact CG-CD1 4.48Å; L281-L283 PolarHBondContact O-N 3.27Å; L281-R288 PolarHBondContact O-NH2 2.91Å; L281-M297 HydrophobicContact CD1-CB 4.38Å; L281-M297 HydrophobicContact CD1-CE 3.68Å; L281-M297 HydrophobicContact CD1-CG 4.46Å; L281-M297 HydrophobicContact CD1-SD 4.21Å; L281-F299 HydrophobicContact CD1-CE2 4.14Å; L281-F299 HydrophobicContact CD1-CZ 4.22Å
282F74.9Confident71.8Confident210 Ų21079.8 Ų79.892%0.92143%0.433SS*.  trans-74.860.9172.3-70.4-86.4000111
283L71.3Confident70.4Confident42 Ų4284.4 Ų84.422%0.2246%0.463CS..  trans-95.8143.1178.5-64.8165.9000110.5R278 L281 V287 R288 M297R278-L283 HydrophobicContact CB-CD1 4.4Å; L281-L283 HydrophobicContact CB-CD1 3.69Å; L281-L283 HydrophobicContact CB-CG 3.73Å; L281-L283 HydrophobicContact CD1-CD1 3.96Å; L281-L283 HydrophobicContact CG-CD1 4.48Å; L281-L283 PolarHBondContact O-N 3.27Å; L283-V287 HydrophobicContact CB-CB 4.2Å; L283-V287 HydrophobicContact CB-CG1 4.19Å; L283-V287 HydrophobicContact CD1-CG1 4.15Å; L283-V287 HydrophobicContact CD2-CG1 4.2Å; L283-V287 HydrophobicContact CG-CG1 4.4Å; L283-R288 HydrophobicContact CB-CG 4.39Å; L283-R288 VanDerWaalsContact O-CZ 3.26Å; L283-R288 PolarHBondContact O-NE 2.99Å; L283-M297 HydrophobicContact CD1-CE 3.28Å; L283-M297 HydrophobicContact CD2-CE 4.4Å; L283-M297 HydrophobicContact CG-CE 4.44Å
284P73.1Confident69.2Low61 Ų6189.4 Ų89.440%0.39649%0.486SS..  trans-54.5148.2171.5-24.633.4000112.2W286 V287 R288P284-W286 HydrophobicContact CB-CD2 4.48Å; P284-W286 HydrophobicContact CB-CG 4.28Å; P284-W286 HydrophobicContact CG-CZ2 4.47Å; P284-W286 PolarHBondContact O-N 3.37Å; P284-W286 VanDerWaalsContact O-N 3.08Å; P284-V287 HydrophobicContact CB-CG2 4.31Å; P284-V287 HydrophobicContact CG-CG2 4.34Å; P284-V287 WeakPolarHBondContact O-CA 3.46Å; P284-V287 WeakPolarHBondContact O-CB 3.33Å; P284-V287 PolarHBondContact O-N 3.36Å; P284-R288 PolarHBondContact O-N 2.66Å
285A66.4Low68.4Low69 Ų6992.3 Ų92.357%0.5750%0.5SS*.THydrogen-bonded Turntrans-56.8-30.1-176.100000114.1V287 R288A285-V287 VanDerWaalsContact C-N 3.34Å; A285-R288 PolarHBondContact O-N 3.37Å
286W64.8Low67.9Low195 Ų19588.2 Ų88.274%0.73949%0.488SS*.THydrogen-bonded Turntrans-73-24.9176.461.5-93.7000113.3P284P284-W286 HydrophobicContact CB-CD2 4.48Å; P284-W286 HydrophobicContact CB-CG 4.28Å; P284-W286 HydrophobicContact CG-CZ2 4.47Å; P284-W286 PolarHBondContact O-N 3.37Å; P284-W286 VanDerWaalsContact O-N 3.08Å
287V63.8Low67.8Low32 Ų3287.3 Ų87.319%0.19448%0.482CS..THydrogen-bonded Turntrans-79.3-29.3171.9-177.90000110.4R278 L283 P284 A285 R289R278-V287 PolarHBondContact NH2-O 3.45Å; L283-V287 HydrophobicContact CB-CB 4.2Å; L283-V287 HydrophobicContact CB-CG1 4.19Å; L283-V287 HydrophobicContact CD1-CG1 4.15Å; L283-V287 HydrophobicContact CD2-CG1 4.2Å; L283-V287 HydrophobicContact CG-CG1 4.4Å; P284-V287 HydrophobicContact CB-CG2 4.31Å; P284-V287 HydrophobicContact CG-CG2 4.34Å; P284-V287 WeakPolarHBondContact O-CA 3.46Å; P284-V287 WeakPolarHBondContact O-CB 3.33Å; P284-V287 PolarHBondContact O-N 3.36Å; A285-V287 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.31Å
288R60.6Low68.2Low120 Ų12085.1 Ų85.145%0.45347%0.466SS..SBendtrans-68.2-13.9177.2-68.8-178.2176.6143.3-0.2114.2L281 L283 P284 A285 G290L281-R288 PolarHBondContact O-NH2 2.91Å; L283-R288 HydrophobicContact CB-CG 4.39Å; L283-R288 VanDerWaalsContact O-CZ 3.26Å; L283-R288 PolarHBondContact O-NE 2.99Å; P284-R288 PolarHBondContact O-N 2.66Å; A285-R288 PolarHBondContact O-N 3.37Å; R288-G290 PolarHBondContact O-N 2.92Å
289R56.9Low68.7Low213 Ų21385.8 Ų85.880%0.80447%0.469SS*.  trans-80.951-177.5-122.3-170.8-71.5-103.95.1112.7V287V287-R289 PolarHBondContact O-N 3.31Å
290G60.7Low69.7Low35 Ų3583.2 Ų83.236%0.36144%0.443SS..  trans-92.9160172.200000111.9R288R288-G290 PolarHBondContact O-N 2.92Å
291G61.6Low70.4Confident41 Ų4181.9 Ų81.942%0.42343%0.429SS..  trans-67.4166.4172.600000112.6D293 E294G291-D293 PolarHBondContact O-N 3.26Å; G291-D293 VanDerWaalsContact O-N 3.13Å; G291-E294 PolarHBondContact O-N 2.87Å
292P58.7Low71.3Confident125 Ų12580 Ų8081%0.81242%0.419SS*.G310 helixtrans-57.7-27.8-17721.3-31.7000114
293D58.8Low71.9Confident165 Ų16572.3 Ų72.388%0.88240%0.399SS*.G310 helixtrans-79.1-15.1176.3-72.5-24.7000114.1G291G291-D293 PolarHBondContact O-N 3.26Å; G291-D293 VanDerWaalsContact O-N 3.13Å
294E65.5Low72.7Confident119 Ų11973.5 Ų73.556%0.55642%0.421SS*.G310 helixtrans-94.82.7177.9-66.8-154.9159.100113R278 G291 A296R278-E294 WeakPolarHBondContact CD-O 3.46Å; G291-E294 PolarHBondContact O-N 2.87Å; E294-A296 PolarHBondContact O-N 2.54Å
295D69.3Low73.5Confident94 Ų9472.3 Ų72.350%0.50341%0.414SS..SBendtrans-70.7-8.4-166.6-159.228.7000114.6S277 R278S277-D295 CarbonylContact C-O 3.55Å; S277-D295 WeakPolarHBondContact CA-O 3.22Å; R278-D295 PolarHBondContact N-O 3.35Å
296A73.2Confident74.5Confident42 Ų4271.5 Ų71.535%0.34741%0.412SS..EExtended strand (participates in β ladder)trans-121.1131.7178.700000112.7Q275 E294Q275-A296 HydrophobicContact CG-CB 3.81Å; Q275-A296 VanDerWaalsContact NE2-CB 3.31Å; E294-A296 PolarHBondContact O-N 2.54Å
297M78.2Confident75.6Confident19 Ų1966.2 Ų66.29%0.09440%0.396CS..EExtended strand (participates in β ladder)trans-104134171.8-74-154.7-125.800111.4Q275 V276 R278 L281 L283 F299 Y310Q275-M297 WeakPolarHBondContact CA-O 3.08Å; V276-M297 PolarHBondContact N-O 3.06Å; V276-M297 PolarHBondContact O-N 2.75Å; R278-M297 HydrophobicContact CG-CE 3.91Å; R278-M297 HydrophobicContact CG-CG 4.04Å; L281-M297 HydrophobicContact CD1-CB 4.38Å; L281-M297 HydrophobicContact CD1-CE 3.68Å; L281-M297 HydrophobicContact CD1-CG 4.46Å; L281-M297 HydrophobicContact CD1-SD 4.21Å; L283-M297 HydrophobicContact CD1-CE 3.28Å; L283-M297 HydrophobicContact CD2-CE 4.4Å; L283-M297 HydrophobicContact CG-CE 4.44Å; M297-F299 HydrophobicContact CB-CD2 4.48Å; M297-F299 HydrophobicContact CB-CE2 3.75Å; M297-F299 HydrophobicContact CB-CZ 4.2Å; M297-F299 HydrophobicContact SD-CZ 4.32Å; M297-Y310 HydrophobicContact CB-CD2 4.26Å; M297-Y310 HydrophobicContact CB-CE2 3.72Å; M297-Y310 HydrophobicContact CG-CE2 3.73Å; M297-Y310 HydrophobicContact SD-CD2 4.19Å; M297-Y310 HydrophobicContact SD-CE2 3.71Å
298T84.8Confident76.7Confident14 Ų1470 Ų709%0.08641%0.411CS..EExtended strand (participates in β ladder)trans-100.9115.7179.4-58.80000110.2V273 Y310 H311 W314V273-T298 HydrophobicContact CG1-CG2 3.23Å; T298-Y310 WeakPolarHBondContact O-CD2 3.47Å; T298-H311 PolarHBondContact O-N 2.85Å; T298-W314 HydrophobicContact CG2-CB 4.39Å
299F86.6Confident78Confident46 Ų4666.9 Ų66.920%0.20240%0.399CS..EExtended strand (participates in β ladder)trans-103.6142.9173.5-63.6-86.1000110.1V273 T274 V276 L281 M297 W309 Y310V273-F299 CarbonylContact C-O 3.45Å; V273-F299 WeakPolarHBondContact CA-O 3.43Å; T274-F299 PolarHBondContact N-O 2.97Å; T274-F299 PolarHBondContact O-N 3.02Å; V276-F299 HydrophobicContact CB-CD2 4.33Å; V276-F299 HydrophobicContact CB-CE2 4.18Å; V276-F299 HydrophobicContact CG2-CD2 3.96Å; V276-F299 HydrophobicContact CG2-CE2 4.24Å; L281-F299 HydrophobicContact CD1-CE2 4.14Å; L281-F299 HydrophobicContact CD1-CZ 4.22Å; M297-F299 HydrophobicContact CB-CD2 4.48Å; M297-F299 HydrophobicContact CB-CE2 3.75Å; M297-F299 HydrophobicContact CB-CZ 4.2Å; M297-F299 HydrophobicContact SD-CZ 4.32Å; F299-W309 WeakPolarHBondContact CA-O 3.36Å; F299-Y310 HydrophobicContact CE1-CD2 4.38Å
300V88.8Confident79.3Confident0 Ų061.8 Ų61.80%038%0.381CS..EExtended strand (participates in β ladder)trans-119130175.4-171.80000108.6V261 C271 R272 V273 Q308 W309V261-V300 HydrophobicContact CG1-CG1 4.43Å; C271-V300 HydrophobicContact CB-CG1 3.75Å; R272-V300 CarbonylContact O-C 3.52Å; R272-V300 WeakPolarHBondContact O-CA 3.48Å; V273-V300 HydrophobicContact CG2-CG1 4.49Å; V273-V300 HydrophobicContact CG2-CG2 4.22Å; V300-Q308 CarbonylContact O-C 3.56Å; V300-Q308 VanDerWaalsContact O-CA 3.26Å; V300-Q308 WeakPolarHBondContact O-CA 3.34Å; V300-W309 HydrophobicContact CB-CD2 4.18Å; V300-W309 HydrophobicContact CB-CH2 4.39Å; V300-W309 HydrophobicContact CB-CZ2 3.81Å; V300-W309 HydrophobicContact CG1-CH2 3.83Å; V300-W309 HydrophobicContact CG1-CZ2 3.46Å; V300-W309 VanDerWaalsContact CG1-CZ2 3.46Å; V300-W309 PolarHBondContact N-O 2.87Å; V300-W309 PolarHBondContact O-N 3.38Å
301T89.6Confident80Confident37 Ų3763.7 Ų63.723%0.22738%0.38CS..EExtended strand (participates in β ladder)trans-118.1125.8177.7-48.60000109.2C271 R272 Q307 Q308C271-T301 CarbonylContact C-O 3.55Å; C271-T301 WeakPolarHBondContact CA-O 3.33Å; R272-T301 PolarHBondContact N-O 3.23Å; R272-T301 PolarHBondContact O-N 2.87Å; T301-Q307 CarbonylContact C-O 3.59Å; T301-Q307 WeakPolarHBondContact CA-O 3.49Å; T301-Q308 HydrophobicContact CG2-CG 4.38Å; T301-Q308 WeakPolarHBondContact OG1-CG 3.18Å
302C90.1Very high80Confident2 Ų266.4 Ų66.41%0.01439%0.393CS..EExtended strand (participates in β ladder)trans-78.2125.5174.1179.10000110.8C263 G304 C305 G306 Q307 W309C263-C302 HydrophobicContact CB-CB 3.93Å; C302-G304 PolarHBondContact O-N 3.24Å; C302-C305 VanDerWaalsContact SG-SG 3.65Å; C302-G306 WeakPolarHBondContact O-CA 3.49Å; C302-G306 PolarHBondContact O-N 2.79Å; C302-Q307 HydrophobicContact CB-CB 4.49Å; C302-Q307 PolarHBondContact N-O 3.12Å; C302-W309 HydrophobicContact CB-CH2 4.37Å; C302-W309 HydrophobicContact CB-CZ3 4.09Å
303G88.1Confident79.9Confident48 Ų4862.9 Ų62.950%0.49538%0.38SS..THydrogen-bonded Turntrans-66.8-33.8177.600000113.4D270D270-G303 PolarHBondContact O-N 3.02Å
304G87.8Confident79.7Confident67 Ų6759.9 Ų59.969%0.69136%0.356SS*.THydrogen-bonded Turntrans-77.5-40.4-177.500000115C302C302-G304 PolarHBondContact O-N 3.24Å
305C89.9Confident78.7Confident35 Ų3559.8 Ų59.824%0.23636%0.363CS..THydrogen-bonded Turntrans-119.1-1.4-174.775.40000115C263 C266 C302 Q307C263-C305 PolarHBondContact SG-SG 3.45Å; C266-C305 HydrophobicContact CB-CB 4.11Å; C266-C305 VanDerWaalsContact SG-SG 3.69Å; C302-C305 VanDerWaalsContact SG-SG 3.65Å; C305-Q307 PolarHBondContact O-N 2.78Å; C305-Q307 VanDerWaalsContact SG-CB 3.58Å
306G87Confident77.2Confident52 Ų5260 Ų6054%0.53637%0.371SS..  trans70.43.2179.900000115.3C302 Q308C302-G306 WeakPolarHBondContact O-CA 3.49Å; C302-G306 PolarHBondContact O-N 2.79Å; G306-Q308 PolarHBondContact O-N 3.04Å
307Q88Confident75.2Confident84 Ų8469.1 Ų69.139%0.39341%0.413SS..  trans-63.3130.6179.5-175.26646.500110.1T301 C302 C305 W309T301-Q307 CarbonylContact C-O 3.59Å; T301-Q307 WeakPolarHBondContact CA-O 3.49Å; C302-Q307 HydrophobicContact CB-CB 4.49Å; C302-Q307 PolarHBondContact N-O 3.12Å; C305-Q307 PolarHBondContact O-N 2.78Å; C305-Q307 VanDerWaalsContact SG-CB 3.58Å; Q307-W309 HydrophobicContact CB-CE3 4.41Å; Q307-W309 HydrophobicContact CB-CZ3 4.23Å; Q307-W309 HydrophobicContact CG-CE3 3.92Å; Q307-W309 HydrophobicContact CG-CZ3 4.17Å; Q307-W309 VanDerWaalsContact O-CZ3 3.25Å; Q307-W309 WeakPolarHBondContact O-CZ3 3.39Å
308Q87.5Confident75.1Confident112 Ų11271.6 Ų71.652%0.52343%0.429SS..EExtended strand (participates in β ladder)trans-116.9139.2177.9-152.6168.9-1000110.5V300 T301 G306V300-Q308 CarbonylContact O-C 3.56Å; V300-Q308 VanDerWaalsContact O-CA 3.26Å; V300-Q308 WeakPolarHBondContact O-CA 3.34Å; T301-Q308 HydrophobicContact CG2-CG 4.38Å; T301-Q308 WeakPolarHBondContact OG1-CG 3.18Å; G306-Q308 PolarHBondContact O-N 3.04Å
309W86.6Confident74.6Confident54 Ų5474.6 Ų74.621%0.20545%0.447CS..EExtended strand (participates in β ladder)trans-150156.5176.964.793.9000112.2V261 C263 F299 V300 C302 Q307V261-W309 HydrophobicContact CG1-CZ2 3.73Å; C263-W309 HydrophobicContact CB-CH2 4.2Å; F299-W309 WeakPolarHBondContact CA-O 3.36Å; V300-W309 HydrophobicContact CB-CD2 4.18Å; V300-W309 HydrophobicContact CB-CH2 4.39Å; V300-W309 HydrophobicContact CB-CZ2 3.81Å; V300-W309 HydrophobicContact CG1-CH2 3.83Å; V300-W309 HydrophobicContact CG1-CZ2 3.46Å; V300-W309 VanDerWaalsContact CG1-CZ2 3.46Å; V300-W309 PolarHBondContact N-O 2.87Å; V300-W309 PolarHBondContact O-N 3.38Å; C302-W309 HydrophobicContact CB-CH2 4.37Å; C302-W309 HydrophobicContact CB-CZ3 4.09Å; Q307-W309 HydrophobicContact CB-CE3 4.41Å; Q307-W309 HydrophobicContact CB-CZ3 4.23Å; Q307-W309 HydrophobicContact CG-CE3 3.92Å; Q307-W309 HydrophobicContact CG-CZ3 4.17Å; Q307-W309 VanDerWaalsContact O-CZ3 3.25Å; Q307-W309 WeakPolarHBondContact O-CZ3 3.39Å
310Y85.3Confident73.9Confident107 Ų10776.2 Ų76.242%0.4246%0.46SS..EExtended strand (participates in β ladder)trans-89.7142176.9172.2-120.7000111M297 T298 F299M297-Y310 HydrophobicContact CB-CD2 4.26Å; M297-Y310 HydrophobicContact CB-CE2 3.72Å; M297-Y310 HydrophobicContact CG-CE2 3.73Å; M297-Y310 HydrophobicContact SD-CD2 4.19Å; M297-Y310 HydrophobicContact SD-CE2 3.71Å; T298-Y310 WeakPolarHBondContact O-CD2 3.47Å; F299-Y310 HydrophobicContact CE1-CD2 4.38Å
311H74.1Confident73Confident74 Ų7480.7 Ų80.734%0.34349%0.487SS..  trans-122.7103.7174.8-160.9-56.5000110.8T298 G313 W314T298-H311 PolarHBondContact O-N 2.85Å; H311-G313 VanDerWaalsContact C-N 3.26Å; H311-G313 PolarHBondContact O-N 2.77Å; H311-W314 AromaticContact CE1-CD1 3.75Å; H311-W314 AromaticContact CG-CD1 3.8Å; H311-W314 AromaticContact ND1-CD1 3.58Å
312S62.3Low72Confident98 Ų9883.4 Ų83.469%0.68550%0.503SS*.THydrogen-bonded Turntrans-82.534.3-171.366.10000115.4
313G57.4Low70.8Confident52 Ų5288.9 Ų88.954%0.53654%0.536SS..THydrogen-bonded Turntrans-167.921.2-170.100000116.2H311 V315H311-G313 VanDerWaalsContact C-N 3.26Å; H311-G313 PolarHBondContact O-N 2.77Å; G313-V315 PolarHBondContact O-N 2.99Å
314W54.2Low69.5Low101 Ų10191.8 Ų91.838%0.38354%0.539SS..  trans-81.398.8171-103.168.6000108.8T298 H311T298-W314 HydrophobicContact CG2-CB 4.39Å; H311-W314 AromaticContact CE1-CD1 3.75Å; H311-W314 AromaticContact CG-CD1 3.8Å; H311-W314 AromaticContact ND1-CD1 3.58Å
315V43.3Very low68.1Low118 Ų11893.7 Ų93.772%0.71553%0.527SS*.  trans-85.5113.8160.3-177.30000105.6G313 L317G313-V315 PolarHBondContact O-N 2.99Å; V315-L317 PolarHBondContact O-N 3.5Å
316C38.3Very low66.3Low98 Ų9898.6 Ų98.666%0.66255%0.552SS**  trans-66.2103.4165.7-76.10000107
317L32Very low64.4Low233 Ų233102.8 Ų102.8100%1.2255%0.553SS**  trans-72.90160.1-73.7169.4000109.4V315V315-L317 PolarHBondContact O-N 3.5Å

Retrieved 317 of 317 residues in 171.1 ms (Link to these results)

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