A0A077Z7E2_TRITR Loading...

Golgi associated plant pathogenesis-related prote in golgi associated plant pathogeneis-related protein

AlphaFold DB , UniProt , Accession A0A077Z7E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53Low67.7Low214 Ų214106.2 Ų106.2100%1.05453%0.529SS*.  0-37.50-84.8176.7-96.300110.6D3 Q4 N5M1-D3 PolarHBondContact O-N 3.41Å; M1-Q4 PolarHBondContact O-N 3.36Å; M1-N5 PolarHBondContact O-N 3.29Å
2D62.8Low68.7Low142 Ų142101.9 Ų101.976%0.75952%0.517SS*.Hα-helixtrans-55.6-39.6-177-59.23.6000115.8N5 S6D2-N5 PolarHBondContact O-N 2.85Å; D2-S6 WeakPolarHBondContact O-CB 3.32Å; D2-S6 PolarHBondContact O-N 2.98Å
3D68.4Low69.7Low123 Ų123102.7 Ų102.766%0.65852%0.517SS*.Hα-helixtrans-69-37.8-176.5-173.546.6000113.2M1 K7M1-D3 PolarHBondContact O-N 3.41Å; D3-K7 WeakPolarHBondContact O-CB 3.49Å; D3-K7 PolarHBondContact O-N 3.45Å
4Q58.4Low70.5Confident132 Ų13297.1 Ų97.162%0.61749%0.491SS*.Hα-helixtrans-66.7-43.7176.7-75.8-98.8-21.800111.3M1 K7 L8M1-Q4 PolarHBondContact O-N 3.36Å; Q4-K7 WeakPolarHBondContact O-CB 3.5Å; Q4-K7 PolarHBondContact O-N 3.03Å; Q4-L8 WeakPolarHBondContact O-CG 3.38Å; Q4-L8 PolarHBondContact O-N 3.26Å
5N63.4Low71Confident92 Ų9292.5 Ų92.549%0.49247%0.471SS..Hα-helixtrans-65-45.3178.9-162.662.1000111.1M1 D2 K7 L8 E9M1-N5 PolarHBondContact O-N 3.29Å; D2-N5 PolarHBondContact O-N 2.85Å; N5-K7 VanDerWaalsContact C-N 3.26Å; N5-K7 PolarHBondContact O-N 3.01Å; N5-L8 PolarHBondContact O-N 2.96Å; N5-E9 PolarHBondContact ND2-OE1 3.3Å; N5-E9 WeakPolarHBondContact O-CG 3.38Å; N5-E9 PolarHBondContact O-N 3.18Å
6S72.8Confident71.8Confident42 Ų4294.7 Ų94.729%0.29448%0.479SS..Hα-helixtrans-60.6-34.4174.9-177.20000112.8D2 R10D2-S6 WeakPolarHBondContact O-CB 3.32Å; D2-S6 PolarHBondContact O-N 2.98Å; S6-R10 WeakPolarHBondContact O-CG 3.47Å; S6-R10 PolarHBondContact O-N 2.86Å; S6-R10 VanDerWaalsContact O-N 3.15Å; S6-R10 PolarHBondContact OG-NH1 3.19Å
7K68.6Low72.4Confident67 Ų6795.9 Ų95.929%0.29148%0.482SS..Hα-helixtrans-69.2-41.2176.2-174.1-178.9-179.6-177.20112.2D3 Q4 N5 L11D3-K7 WeakPolarHBondContact O-CB 3.49Å; D3-K7 PolarHBondContact O-N 3.45Å; Q4-K7 WeakPolarHBondContact O-CB 3.5Å; Q4-K7 PolarHBondContact O-N 3.03Å; N5-K7 VanDerWaalsContact C-N 3.26Å; N5-K7 PolarHBondContact O-N 3.01Å; K7-L11 WeakPolarHBondContact O-CG 3.41Å; K7-L11 PolarHBondContact O-N 3.06Å; K7-L11 VanDerWaalsContact O-N 3.14Å
8L69.5Low72.9Confident107 Ų10790.6 Ų90.656%0.5646%0.456SS*.Hα-helixtrans-66.4-42.2176.3-72.6170.2000111.4Q4 N5 R10 L11 S12Q4-L8 WeakPolarHBondContact O-CG 3.38Å; Q4-L8 PolarHBondContact O-N 3.26Å; N5-L8 PolarHBondContact O-N 2.96Å; L8-R10 PolarHBondContact O-N 3.46Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 2.79Å; L8-L11 VanDerWaalsContact O-N 3.15Å; L8-S12 PolarHBondContact O-N 3.05Å; L8-S12 PolarHBondContact O-OG 3.22Å
9E77.4Confident73.4Confident93 Ų9389 Ų8944%0.43545%0.449SS..Hα-helixtrans-59.5-43.2175.6-73.3168.4177.800111.9N5 L11 S12 E13N5-E9 PolarHBondContact ND2-OE1 3.3Å; N5-E9 WeakPolarHBondContact O-CG 3.38Å; N5-E9 PolarHBondContact O-N 3.18Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.04Å; E9-S12 WeakPolarHBondContact CA-OG 3.08Å; E9-S12 PolarHBondContact O-N 2.94Å; E9-S12 PolarHBondContact O-OG 3.44Å; E9-E13 WeakPolarHBondContact O-CG 2.86Å; E9-E13 PolarHBondContact O-N 3.45Å
10R75.5Confident73.9Confident110 Ų11091.1 Ų91.142%0.41546%0.457SS..Hα-helixtrans-64.8-37.1174.8-74.5-167.2-62.6-87.7-0.6113.1S6 L8 V14 L68S6-R10 WeakPolarHBondContact O-CG 3.47Å; S6-R10 PolarHBondContact O-N 2.86Å; S6-R10 VanDerWaalsContact O-N 3.15Å; S6-R10 PolarHBondContact OG-NH1 3.19Å; L8-R10 PolarHBondContact O-N 3.46Å; R10-V14 VanDerWaalsContact O-CG2 3.32Å; R10-V14 WeakPolarHBondContact O-CG2 3.36Å; R10-V14 PolarHBondContact O-N 2.95Å; R10-V14 VanDerWaalsContact O-N 3.12Å; R10-L68 HydrophobicContact CB-CD1 4.28Å
11L75.5Confident74.2Confident46 Ų4689.2 Ų89.224%0.24145%0.447CS..Hα-helixtrans-65.2-41.2175.5-76.7166000110.9K7 L8 E9 S15 N58 L68K7-L11 WeakPolarHBondContact O-CG 3.41Å; K7-L11 PolarHBondContact O-N 3.06Å; K7-L11 VanDerWaalsContact O-N 3.14Å; L8-L11 WeakPolarHBondContact O-CB 3.49Å; L8-L11 PolarHBondContact O-N 2.79Å; L8-L11 VanDerWaalsContact O-N 3.15Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.04Å; L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 3.37Å; L11-N58 HydrophobicContact CD2-CB 4.1Å; L11-L68 HydrophobicContact CD2-CD1 3.51Å; L11-L68 HydrophobicContact CD2-CD2 3.93Å; L11-L68 HydrophobicContact CD2-CG 4.35Å; L11-L68 HydrophobicContact CG-CD1 3.79Å
12S79.4Confident75.5Confident55 Ų5579.2 Ų79.239%0.38540%0.397SS..Hα-helixtrans-65.8-42.9175.552.40000112.4L8 E9 V14 S15 E16L8-S12 PolarHBondContact O-N 3.05Å; L8-S12 PolarHBondContact O-OG 3.22Å; E9-S12 WeakPolarHBondContact CA-OG 3.08Å; E9-S12 PolarHBondContact O-N 2.94Å; E9-S12 PolarHBondContact O-OG 3.44Å; S12-V14 PolarHBondContact O-N 3.32Å; S12-S15 WeakPolarHBondContact O-CB 3.46Å; S12-S15 PolarHBondContact O-N 3.15Å; S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 3.45Å
13E81.9Confident76.3Confident112 Ų11278.4 Ų78.452%0.52339%0.391SS..Hα-helixtrans-60.8-44.3178-75.4175.5-179.600112.4E9 S15 E16 Q17E9-E13 WeakPolarHBondContact O-CG 2.86Å; E9-E13 PolarHBondContact O-N 3.45Å; E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 3.34Å; E13-E16 PolarHBondContact O-N 3.15Å; E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 3.14Å; E13-Q17 VanDerWaalsContact O-N 3.08Å
14V80.3Confident76.8Confident24 Ų2475.9 Ų75.915%0.14538%0.377CS..Hα-helixtrans-64.6-38.2176.8171.40000111R10 S12 L18 L54 L69R10-V14 VanDerWaalsContact O-CG2 3.32Å; R10-V14 WeakPolarHBondContact O-CG2 3.36Å; R10-V14 PolarHBondContact O-N 2.95Å; R10-V14 VanDerWaalsContact O-N 3.12Å; S12-V14 PolarHBondContact O-N 3.32Å; V14-L18 PolarHBondContact O-N 3.44Å; V14-L54 HydrophobicContact CG1-CD2 3.92Å; V14-L69 VanDerWaalsContact CG1-O 3.32Å; V14-L69 WeakPolarHBondContact CG1-O 3.4Å
15S78.8Confident77.6Confident28 Ų2871.7 Ų71.720%0.19636%0.357CS..Hα-helixtrans-65.5-42.1175.4-174.80000112L11 S12 E13 L18 D19L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 3.37Å; S12-S15 WeakPolarHBondContact O-CB 3.46Å; S12-S15 PolarHBondContact O-N 3.15Å; E13-S15 VanDerWaalsContact C-N 3.31Å; E13-S15 PolarHBondContact O-N 3.34Å; S15-L18 WeakPolarHBondContact O-CB 3.43Å; S15-L18 PolarHBondContact O-N 3.03Å; S15-D19 PolarHBondContact O-N 2.92Å
16E82.7Confident78.1Confident128 Ų12868.8 Ų68.860%0.59834%0.342SS*.Hα-helixtrans-64.9-41.1179.2-75.9176.1-172.600112.1S12 E13 L18 D19 E20S12-E16 WeakPolarHBondContact O-CG 3.48Å; S12-E16 PolarHBondContact O-N 3.45Å; E13-E16 PolarHBondContact O-N 3.15Å; E16-L18 PolarHBondContact O-N 2.75Å; E16-D19 PolarHBondContact O-N 3Å; E16-E20 PolarHBondContact O-N 2.84Å
17Q82.1Confident78.1Confident115 Ų11570.3 Ų70.354%0.53735%0.347SS..Hα-helixtrans-59.4-37.8173.9-72.717715.100111.8E13 H21E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 3.14Å; E13-Q17 VanDerWaalsContact O-N 3.08Å; Q17-H21 VanDerWaalsContact O-CB 3.27Å; Q17-H21 WeakPolarHBondContact O-CB 3.46Å; Q17-H21 PolarHBondContact O-N 2.92Å
18L82Confident78.4Confident1 Ų173.8 Ų73.81%0.00536%0.362CS..Hα-helixtrans-68.3-47.3175178.260000111.2V14 S15 E16 E20 H21 L22 R51 L54 W71V14-L18 PolarHBondContact O-N 3.44Å; S15-L18 WeakPolarHBondContact O-CB 3.43Å; S15-L18 PolarHBondContact O-N 3.03Å; E16-L18 PolarHBondContact O-N 2.75Å; L18-E20 PolarHBondContact O-N 3.19Å; L18-H21 WeakPolarHBondContact O-CB 3.37Å; L18-H21 PolarHBondContact O-N 3.24Å; L18-L22 HydrophobicContact CD1-CD1 3.81Å; L18-L22 HydrophobicContact CD1-CD2 4.06Å; L18-L22 HydrophobicContact CD1-CG 3.76Å; L18-L22 HydrophobicContact CD2-CD1 4.25Å; L18-L22 HydrophobicContact CG-CD1 3.69Å; L18-L22 HydrophobicContact CG-CG 4.09Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.21Å; L18-L22 PolarHBondContact O-N 3.26Å; L18-R51 VanDerWaalsContact CD2-CA 3.5Å; L18-R51 HydrophobicContact CD2-CB 3.92Å; L18-R51 HydrophobicContact CD2-CG 4.16Å; L18-L54 HydrophobicContact CB-CD2 4.18Å; L18-L54 HydrophobicContact CD2-CB 4.04Å; L18-L54 HydrophobicContact CD2-CD2 3.72Å; L18-L54 HydrophobicContact CG-CD2 4.46Å; L18-W71 HydrophobicContact CD1-CB 3.84Å; L18-W71 HydrophobicContact CD1-CD2 3.77Å; L18-W71 HydrophobicContact CD1-CE3 4.43Å; L18-W71 HydrophobicContact CD1-CG 3.47Å; L18-W71 VanDerWaalsContact CD1-CG 3.47Å
19D82.9Confident78.3Confident60 Ų6071.8 Ų71.832%0.32135%0.35SS..Hα-helixtrans-61.2-43.4-179.6-77.6-31.1000112.3S15 E16 H21 L22 M23 R51S15-D19 PolarHBondContact O-N 2.92Å; E16-D19 PolarHBondContact O-N 3Å; D19-H21 VanDerWaalsContact C-N 3.29Å; D19-H21 PolarHBondContact O-N 3.25Å; D19-L22 PolarHBondContact O-N 2.98Å; D19-M23 WeakPolarHBondContact O-CB 3.38Å; D19-M23 PolarHBondContact O-N 2.95Å; D19-R51 WeakPolarHBondContact OD1-CD 3.27Å; D19-R51 IonicContact OD1-CZ 3.74Å; D19-R51 IonicContact OD1-NH1 2.78Å; D19-R51 PolarHBondContact OD1-NH1 3.29Å
20E82.7Confident77.8Confident130 Ų13070.8 Ų70.861%0.60735%0.347SS*.Hα-helixtrans-58-45.5174.7-170-162.9158.300110.7E16 L18 M23 N24E16-E20 PolarHBondContact O-N 2.84Å; L18-E20 PolarHBondContact O-N 3.19Å; E20-M23 PolarHBondContact O-N 3.42Å; E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 2.99Å; E20-N24 PolarHBondContact O-ND2 3.38Å
21H80.1Confident77.5Confident53 Ų5373.6 Ų73.625%0.24536%0.362CS..Hα-helixtrans-63.6-47.6179.517466.5000112.1Q17 L18 D19 M23 N24 K25 W71 Q73Q17-H21 VanDerWaalsContact O-CB 3.27Å; Q17-H21 WeakPolarHBondContact O-CB 3.46Å; Q17-H21 PolarHBondContact O-N 2.92Å; L18-H21 WeakPolarHBondContact O-CB 3.37Å; L18-H21 PolarHBondContact O-N 3.24Å; D19-H21 VanDerWaalsContact C-N 3.29Å; D19-H21 PolarHBondContact O-N 3.25Å; H21-M23 VanDerWaalsContact C-N 3.32Å; H21-M23 PolarHBondContact O-N 3.34Å; H21-N24 PolarHBondContact O-N 3.45Å; H21-K25 PolarHBondContact O-N 3.08Å; H21-W71 AromaticContact CD2-CD1 3.89Å; H21-Q73 PolarHBondContact CD2-OE1 2.82Å; H21-Q73 WeakPolarHBondContact CE1-CB 3.47Å; H21-Q73 WeakPolarHBondContact CE1-CG 3.42Å; H21-Q73 WeakPolarHBondContact NE2-CB 3.24Å; H21-Q73 VanDerWaalsContact NE2-CG 3.26Å; H21-Q73 WeakPolarHBondContact NE2-CG 3.49Å; H21-Q73 PolarHBondContact NE2-OE1 3.48Å
22L79.6Confident77.1Confident4 Ų479 Ų792%0.02139%0.386CS..Hα-helixtrans-61.9-41.3179.2-65.8174.2000110.9L18 D19 N24 K25 T26 I47 Q50 R51L18-L22 HydrophobicContact CD1-CD1 3.81Å; L18-L22 HydrophobicContact CD1-CD2 4.06Å; L18-L22 HydrophobicContact CD1-CG 3.76Å; L18-L22 HydrophobicContact CD2-CD1 4.25Å; L18-L22 HydrophobicContact CG-CD1 3.69Å; L18-L22 HydrophobicContact CG-CG 4.09Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.21Å; L18-L22 PolarHBondContact O-N 3.26Å; D19-L22 PolarHBondContact O-N 2.98Å; L22-N24 PolarHBondContact O-N 2.64Å; L22-K25 PolarHBondContact O-N 3.17Å; L22-T26 PolarHBondContact O-N 3.38Å; L22-T26 PolarHBondContact O-OG1 2.89Å; L22-I47 HydrophobicContact CB-CG1 4.24Å; L22-I47 HydrophobicContact CB-CG2 4.02Å; L22-I47 HydrophobicContact CD1-CB 4.36Å; L22-I47 HydrophobicContact CD1-CG2 3.68Å; L22-I47 HydrophobicContact CD2-CB 4.47Å; L22-I47 HydrophobicContact CD2-CG1 4.08Å; L22-I47 HydrophobicContact CG-CG2 4.25Å; L22-Q50 VanDerWaalsContact CD2-OE1 3.31Å; L22-R51 HydrophobicContact CD1-CB 4.38Å
23M79.8Confident76.3Confident125 Ų12584.8 Ų84.862%0.61640%0.399SS*.Hα-helixtrans-62.4-43.6175-175.9167.7168.100111.9D19 E20 H21 K25 T26 L27D19-M23 WeakPolarHBondContact O-CB 3.38Å; D19-M23 PolarHBondContact O-N 2.95Å; E20-M23 PolarHBondContact O-N 3.42Å; H21-M23 VanDerWaalsContact C-N 3.32Å; H21-M23 PolarHBondContact O-N 3.34Å; M23-K25 VanDerWaalsContact C-N 3.34Å; M23-K25 PolarHBondContact O-N 3.14Å; M23-T26 PolarHBondContact O-N 3.27Å; M23-L27 HydrophobicContact CE-CD1 4.3Å; M23-L27 HydrophobicContact CG-CD1 4.19Å; M23-L27 WeakPolarHBondContact O-CB 3.36Å; M23-L27 VanDerWaalsContact O-CG 3.27Å; M23-L27 WeakPolarHBondContact O-CG 3.43Å; M23-L27 PolarHBondContact O-N 3.07Å
24N78.5Confident75.1Confident69 Ų6984.9 Ų84.937%0.36941%0.409SS..Hα-helixtrans-63.4-37.5176.1-79-35.5000112.5E20 H21 L22 K28E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 2.99Å; E20-N24 PolarHBondContact O-ND2 3.38Å; H21-N24 PolarHBondContact O-N 3.45Å; L22-N24 PolarHBondContact O-N 2.64Å; N24-K28 WeakPolarHBondContact O-CG 3.23Å; N24-K28 PolarHBondContact O-N 2.98Å
25K75.2Confident74Confident44 Ų4487.4 Ų87.419%0.19144%0.44CS..Hα-helixtrans-62.5-52174.2-175.1173.8178.1171.30110.8H21 L22 M23 L27 K28 E29 D77H21-K25 PolarHBondContact O-N 3.08Å; L22-K25 PolarHBondContact O-N 3.17Å; M23-K25 VanDerWaalsContact C-N 3.34Å; M23-K25 PolarHBondContact O-N 3.14Å; K25-L27 VanDerWaalsContact C-N 3.31Å; K25-L27 PolarHBondContact O-N 3.2Å; K25-K28 PolarHBondContact O-N 2.8Å; K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 PolarHBondContact O-N 3.27Å; K25-E29 VanDerWaalsContact O-N 3.08Å; K25-D77 IonicContact NZ-OD1 2.71Å
26T74.8Confident72.9Confident31 Ų3190 Ų9019%0.1946%0.455CS..Hα-helixtrans-55.9-44.8176.9-51.20000111.8L22 M23 E29 L30 I47L22-T26 PolarHBondContact O-N 3.38Å; L22-T26 PolarHBondContact O-OG1 2.89Å; M23-T26 PolarHBondContact O-N 3.27Å; T26-E29 PolarHBondContact O-N 2.98Å; T26-L30 HydrophobicContact CG2-CD1 4Å; T26-L30 HydrophobicContact CG2-CG 4.42Å; T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 VanDerWaalsContact O-CG 3.32Å; T26-L30 WeakPolarHBondContact O-CG 3.48Å; T26-L30 PolarHBondContact O-N 3.06Å; T26-I47 WeakPolarHBondContact OG1-CD1 3.47Å
27L73.9Confident71.8Confident74 Ų7492 Ų9239%0.38746%0.462SS..Hα-helixtrans-65.8-38.6179.7-71.2175000113M23 K25 K31M23-L27 HydrophobicContact CE-CD1 4.3Å; M23-L27 HydrophobicContact CG-CD1 4.19Å; M23-L27 WeakPolarHBondContact O-CB 3.36Å; M23-L27 VanDerWaalsContact O-CG 3.27Å; M23-L27 WeakPolarHBondContact O-CG 3.43Å; M23-L27 PolarHBondContact O-N 3.07Å; K25-L27 VanDerWaalsContact C-N 3.31Å; K25-L27 PolarHBondContact O-N 3.2Å; L27-K31 VanDerWaalsContact O-CG 3.26Å; L27-K31 WeakPolarHBondContact O-CG 3.4Å; L27-K31 PolarHBondContact O-N 3.23Å
28K73.1Confident70.6Confident140 Ų14093.9 Ų93.961%0.60947%0.469SS*.Hα-helixtrans-64.5-44.6176.3-78176.7-178.8176.40111.3N24 K25 K31 H32N24-K28 WeakPolarHBondContact O-CG 3.23Å; N24-K28 PolarHBondContact O-N 2.98Å; K25-K28 PolarHBondContact O-N 2.8Å; K28-K31 PolarHBondContact O-N 3.2Å; K28-H32 PolarHBondContact O-CD2 3.44Å; K28-H32 PolarHBondContact O-N 3.44Å
29E67.7Low69.5Low66 Ų6695.8 Ų95.831%0.30848%0.48SS..Hα-helixtrans-70.2-40.7-178.8-67.6-172.3-158.800112.2K25 T26 K31 H32 R33K25-E29 WeakPolarHBondContact CE-OE1 3.3Å; K25-E29 PolarHBondContact O-N 3.27Å; K25-E29 VanDerWaalsContact O-N 3.08Å; T26-E29 PolarHBondContact O-N 2.98Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 3.48Å; E29-H32 PolarHBondContact O-N 3.12Å; E29-R33 PolarHBondContact O-N 3.36Å
30L68.3Low68.4Low71 Ų7196.6 Ų96.637%0.37248%0.484SS..Hα-helixtrans-58.4-36173.2-81.5177.1000113.3T26 H32 L40T26-L30 HydrophobicContact CG2-CD1 4Å; T26-L30 HydrophobicContact CG2-CG 4.42Å; T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 VanDerWaalsContact O-CG 3.32Å; T26-L30 WeakPolarHBondContact O-CG 3.48Å; T26-L30 PolarHBondContact O-N 3.06Å; L30-H32 VanDerWaalsContact C-N 3.3Å; L30-H32 PolarHBondContact O-N 3.21Å; L30-L40 HydrophobicContact CD1-CD2 4.12Å; L30-L40 HydrophobicContact CD2-CD1 4.44Å; L30-L40 HydrophobicContact CD2-CD2 3.6Å; L30-L40 HydrophobicContact CD2-CG 4.16Å; L30-L40 HydrophobicContact CG-CD2 4.07Å
31K69.2Low67.3Low169 Ų16993.8 Ų93.874%0.73547%0.473SS*.Hα-helixtrans-66.2-32.4174.9-76.7172-178.4179.90112.4L27 K28 E29L27-K31 VanDerWaalsContact O-CG 3.26Å; L27-K31 WeakPolarHBondContact O-CG 3.4Å; L27-K31 PolarHBondContact O-N 3.23Å; K28-K31 PolarHBondContact O-N 3.2Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 3.48Å
32H65.3Low66.8Low159 Ų15993.9 Ų93.974%0.73648%0.479SS*.Hα-helixtrans-91.7-24.9-177-70.2-57.7000113.7K28 E29 L30K28-H32 PolarHBondContact O-CD2 3.44Å; K28-H32 PolarHBondContact O-N 3.44Å; E29-H32 PolarHBondContact O-N 3.12Å; L30-H32 VanDerWaalsContact C-N 3.3Å; L30-H32 PolarHBondContact O-N 3.21Å
33R62.5Low66.3Low177 Ų17794.7 Ų94.767%0.66848%0.483SS*.SBendtrans-13175.8-177.9-70.9-177177.8161.4-0.2112.6E29 G35E29-R33 PolarHBondContact O-N 3.36Å; R33-G35 PolarHBondContact O-N 3.34Å
34P57.2Low66Low114 Ų11491.7 Ų91.774%0.7447%0.474SS*.THydrogen-bonded Turntrans-64.1125.8171.324.9-31.2000110.7
35G56.6Low66.1Low77 Ų7795.3 Ų95.379%0.79448%0.483SS*.THydrogen-bonded Turntrans122.910.8151.400000120.4R33R33-G35 PolarHBondContact O-N 3.34Å
36T56.3Low66.6Low82 Ų8295.5 Ų95.550%0.50349%0.487SS..  trans-127109.5179.1-41.20000113.4F38 T39T36-F38 HydrophobicContact CG2-CB 3.89Å; T36-F38 PolarHBondContact O-N 3.48Å; T36-F38 VanDerWaalsContact O-N 3.13Å; T36-T39 WeakPolarHBondContact O-CB 3.41Å; T36-T39 PolarHBondContact O-N 3.08Å; T36-T39 VanDerWaalsContact O-N 3.09Å
37K60Low67.1Low170 Ų17095.8 Ų95.874%0.73949%0.487SS*.Hα-helixtrans-52-31.9172.9-176.5179179.5179.50113I41K37-I41 HydrophobicContact CG-CD1 4.09Å; K37-I41 VanDerWaalsContact O-CG1 3.3Å; K37-I41 WeakPolarHBondContact O-CG1 3.38Å; K37-I41 PolarHBondContact O-N 3.17Å
38F57.6Low67.8Low156 Ų15693.8 Ų93.868%0.68448%0.481SS*.Hα-helixtrans-65.7-41.7178.6-177.5-98.1000112.8T36 I41 S42T36-F38 HydrophobicContact CG2-CB 3.89Å; T36-F38 PolarHBondContact O-N 3.48Å; T36-F38 VanDerWaalsContact O-N 3.13Å; F38-I41 PolarHBondContact O-N 2.75Å; F38-S42 PolarHBondContact O-N 3.06Å
39T57.5Low68.8Low40 Ų4087.3 Ų87.325%0.24545%0.453CS..Hα-helixtrans-61.7-47.5178.9-54.90000110.3T36 I41 S42 E43T36-T39 WeakPolarHBondContact O-CB 3.41Å; T36-T39 PolarHBondContact O-N 3.08Å; T36-T39 VanDerWaalsContact O-N 3.09Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 2.67Å; T39-S42 PolarHBondContact O-N 2.88Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.49Å; T39-E43 WeakPolarHBondContact O-CB 3.43Å; T39-E43 VanDerWaalsContact O-CG 3.24Å; T39-E43 WeakPolarHBondContact O-CG 3.4Å; T39-E43 PolarHBondContact O-N 2.85Å
40L61Low70.2Confident77 Ų7784.5 Ų84.540%0.40344%0.44SS..Hα-helixtrans-57.3-39.5173.8-77.6175000114L30 S44L30-L40 HydrophobicContact CD1-CD2 4.12Å; L30-L40 HydrophobicContact CD2-CD1 4.44Å; L30-L40 HydrophobicContact CD2-CD2 3.6Å; L30-L40 HydrophobicContact CD2-CG 4.16Å; L30-L40 HydrophobicContact CG-CD2 4.07Å; L40-S44 WeakPolarHBondContact O-CB 3.42Å; L40-S44 PolarHBondContact O-N 3.24Å; L40-S44 PolarHBondContact O-OG 3.29Å
41I59.5Low71.3Confident72 Ų7285.3 Ų85.337%0.36944%0.438SS..Hα-helixtrans-68.5-49.1179.3-70.8168.2000110.1K37 F38 T39 E43 S44 Y45K37-I41 HydrophobicContact CG-CD1 4.09Å; K37-I41 VanDerWaalsContact O-CG1 3.3Å; K37-I41 WeakPolarHBondContact O-CG1 3.38Å; K37-I41 PolarHBondContact O-N 3.17Å; F38-I41 PolarHBondContact O-N 2.75Å; T39-I41 VanDerWaalsContact C-N 3.31Å; T39-I41 PolarHBondContact O-N 2.67Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-E43 PolarHBondContact O-N 3.03Å; I41-S44 PolarHBondContact O-N 3.22Å; I41-S44 PolarHBondContact O-OG 2.88Å; I41-Y45 HydrophobicContact CG2-CD2 3.79Å; I41-Y45 HydrophobicContact CG2-CE2 3.34Å; I41-Y45 WeakPolarHBondContact O-CD2 3.45Å; I41-Y45 PolarHBondContact O-N 2.64Å; I41-Y45 VanDerWaalsContact O-N 3.16Å
42S69.2Low72.5Confident55 Ų5580 Ų8039%0.38542%0.417SS..Hα-helixtrans-57.8-47.6177.4-164.70000111.3F38 T39 S44 Y45 D46F38-S42 PolarHBondContact O-N 3.06Å; T39-S42 PolarHBondContact O-N 2.88Å; S42-S44 VanDerWaalsContact C-N 3.33Å; S42-S44 PolarHBondContact O-N 3.3Å; S42-Y45 WeakPolarHBondContact O-CB 3.42Å; S42-Y45 PolarHBondContact O-N 3.36Å; S42-Y45 VanDerWaalsContact O-N 3.09Å; S42-D46 PolarHBondContact O-N 3.1Å; S42-D46 VanDerWaalsContact O-N 3.09Å
43E69.8Low74.1Confident21 Ų2172.4 Ų72.410%0.09838%0.382CS..Hα-helixtrans-57.1-45.2176.7-73.6165.3-156.700111.9T39 I41 Y45 D46 I47T39-E43 WeakPolarHBondContact CG2-OE1 3.49Å; T39-E43 WeakPolarHBondContact O-CB 3.43Å; T39-E43 VanDerWaalsContact O-CG 3.24Å; T39-E43 WeakPolarHBondContact O-CG 3.4Å; T39-E43 PolarHBondContact O-N 2.85Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-E43 PolarHBondContact O-N 3.03Å; E43-Y45 PolarHBondContact O-N 2.81Å; E43-D46 PolarHBondContact O-N 3.02Å; E43-D46 VanDerWaalsContact O-N 3.13Å; E43-I47 WeakPolarHBondContact O-CB 3.28Å; E43-I47 VanDerWaalsContact O-CG1 3.25Å; E43-I47 WeakPolarHBondContact O-CG1 3.46Å; E43-I47 PolarHBondContact O-N 3.06Å
44S72.1Confident75.8Confident61 Ų6164 Ų6443%0.42735%0.351SS..Hα-helixtrans-62.1-32.217972.50000112.6L40 I41 S42 A48L40-S44 WeakPolarHBondContact O-CB 3.42Å; L40-S44 PolarHBondContact O-N 3.24Å; L40-S44 PolarHBondContact O-OG 3.29Å; I41-S44 PolarHBondContact O-N 3.22Å; I41-S44 PolarHBondContact O-OG 2.88Å; S42-S44 VanDerWaalsContact C-N 3.33Å; S42-S44 PolarHBondContact O-N 3.3Å; S44-A48 WeakPolarHBondContact O-CB 3.38Å; S44-A48 PolarHBondContact O-N 3.43Å; S44-A48 VanDerWaalsContact O-N 3.08Å
45Y80.5Confident77.6Confident145 Ų14560.5 Ų60.557%0.56933%0.326SS*.Hα-helixtrans-73-35.1175.1-75.6-64.7000112.8I41 S42 E43 F49I41-Y45 HydrophobicContact CG2-CD2 3.79Å; I41-Y45 HydrophobicContact CG2-CE2 3.34Å; I41-Y45 WeakPolarHBondContact O-CD2 3.45Å; I41-Y45 PolarHBondContact O-N 2.64Å; I41-Y45 VanDerWaalsContact O-N 3.16Å; S42-Y45 WeakPolarHBondContact O-CB 3.42Å; S42-Y45 PolarHBondContact O-N 3.36Å; S42-Y45 VanDerWaalsContact O-N 3.09Å; E43-Y45 PolarHBondContact O-N 2.81Å; Y45-F49 VanDerWaalsContact O-CB 3.28Å; Y45-F49 WeakPolarHBondContact O-CB 3.38Å; Y45-F49 PolarHBondContact O-N 3.14Å
46D86Confident79.6Confident49 Ų4957 Ų5726%0.26229%0.289SS..Hα-helixtrans-73-41.3177.8-66.2-26.1000111.1S42 E43 F49 Q50S42-D46 PolarHBondContact O-N 3.1Å; S42-D46 VanDerWaalsContact O-N 3.09Å; E43-D46 PolarHBondContact O-N 3.02Å; E43-D46 VanDerWaalsContact O-N 3.13Å; D46-F49 WeakPolarHBondContact O-CB 3.32Å; D46-F49 PolarHBondContact O-N 3.39Å; D46-Q50 WeakPolarHBondContact O-CB 3.08Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.43Å; D46-Q50 PolarHBondContact O-N 2.87Å
47I86.4Confident81.6Confident36 Ų3653 Ų5319%0.18527%0.265CS..Hα-helixtrans-56.7-50.9172-72.9168.3000110.7L22 T26 E43 F49 Q50 R51L22-I47 HydrophobicContact CB-CG1 4.24Å; L22-I47 HydrophobicContact CB-CG2 4.02Å; L22-I47 HydrophobicContact CD1-CB 4.36Å; L22-I47 HydrophobicContact CD1-CG2 3.68Å; L22-I47 HydrophobicContact CD2-CB 4.47Å; L22-I47 HydrophobicContact CD2-CG1 4.08Å; L22-I47 HydrophobicContact CG-CG2 4.25Å; T26-I47 WeakPolarHBondContact OG1-CD1 3.47Å; E43-I47 WeakPolarHBondContact O-CB 3.28Å; E43-I47 VanDerWaalsContact O-CG1 3.25Å; E43-I47 WeakPolarHBondContact O-CG1 3.46Å; E43-I47 PolarHBondContact O-N 3.06Å; I47-F49 VanDerWaalsContact C-N 3.33Å; I47-F49 PolarHBondContact O-N 3.38Å; I47-Q50 PolarHBondContact O-N 2.89Å; I47-R51 PolarHBondContact O-N 3.38Å
48A88.4Confident83.4Confident33 Ų3345 Ų4527%0.27323%0.23SC..Hα-helixtrans-61.9-42.5177.900000111.6S44 Q50 R51 D52S44-A48 WeakPolarHBondContact O-CB 3.38Å; S44-A48 PolarHBondContact O-N 3.43Å; S44-A48 VanDerWaalsContact O-N 3.08Å; A48-Q50 PolarHBondContact O-N 3.3Å; A48-R51 PolarHBondContact O-N 3.36Å; A48-D52 WeakPolarHBondContact O-CB 3.35Å; A48-D52 PolarHBondContact O-N 3.33Å
49F94.6Very high85.1Confident4 Ų442.7 Ų42.72%0.01822%0.217CC..Hα-helixtrans-59.3-46.4175.8170.8-92.5000112.2Y45 D46 I47 F53 P116 G118 I121 R161 V172Y45-F49 VanDerWaalsContact O-CB 3.28Å; Y45-F49 WeakPolarHBondContact O-CB 3.38Å; Y45-F49 PolarHBondContact O-N 3.14Å; D46-F49 WeakPolarHBondContact O-CB 3.32Å; D46-F49 PolarHBondContact O-N 3.39Å; I47-F49 VanDerWaalsContact C-N 3.33Å; I47-F49 PolarHBondContact O-N 3.38Å; F49-F53 HydrophobicContact CZ-CD2 4.37Å; F49-F53 WeakPolarHBondContact O-CB 3.35Å; F49-F53 PolarHBondContact O-N 2.92Å; F49-P116 WeakPolarHBondContact CD2-O 3.25Å; F49-P116 WeakPolarHBondContact CE2-O 3.45Å; F49-G118 VanDerWaalsContact CD2-N 3.28Å; F49-I121 HydrophobicContact CE2-CG1 4.12Å; F49-I121 HydrophobicContact CZ-CG1 4.44Å; F49-R161 HydrophobicContact CD1-CB 3.99Å; F49-R161 HydrophobicContact CD2-CB 4.21Å; F49-R161 HydrophobicContact CE1-CB 3.71Å; F49-R161 HydrophobicContact CE2-CB 3.94Å; F49-R161 HydrophobicContact CE2-CG 4.4Å; F49-R161 HydrophobicContact CG-CB 4.25Å; F49-R161 HydrophobicContact CZ-CB 3.7Å; F49-V172 HydrophobicContact CZ-CG1 3.82Å; F49-V172 HydrophobicContact CZ-CG2 4.29Å
50Q95.2Very high86.9Confident7 Ų741.5 Ų41.53%0.03321%0.209CC..Hα-helixtrans-65.6-40.8-178.4-71.9179.8-20.500112.2L22 D46 I47 A48 F53 L54 W71 C159L22-Q50 VanDerWaalsContact CD2-OE1 3.31Å; D46-Q50 WeakPolarHBondContact O-CB 3.08Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.43Å; D46-Q50 PolarHBondContact O-N 2.87Å; I47-Q50 PolarHBondContact O-N 2.89Å; A48-Q50 PolarHBondContact O-N 3.3Å; Q50-F53 WeakPolarHBondContact O-CB 3.2Å; Q50-F53 PolarHBondContact O-N 3.38Å; Q50-L54 PolarHBondContact O-N 2.92Å; Q50-W71 HydrophobicContact CB-CH2 3.57Å; Q50-W71 HydrophobicContact CB-CZ2 3.75Å; Q50-W71 HydrophobicContact CB-CZ3 4.23Å; Q50-W71 HydrophobicContact CG-CH2 3.51Å; Q50-W71 HydrophobicContact CG-CZ2 3.57Å; Q50-C159 PolarHBondContact NE2-O 2.95Å
51R92.5Very high88.6Confident88 Ų8837.8 Ų37.833%0.33219%0.189SC..Hα-helixtrans-64.6-52.1173.8-175.7169.263.2-153.41.1112.4L18 D19 L22 I47 A48 F53 L54 D55L18-R51 VanDerWaalsContact CD2-CA 3.5Å; L18-R51 HydrophobicContact CD2-CB 3.92Å; L18-R51 HydrophobicContact CD2-CG 4.16Å; D19-R51 WeakPolarHBondContact OD1-CD 3.27Å; D19-R51 IonicContact OD1-CZ 3.74Å; D19-R51 IonicContact OD1-NH1 2.78Å; D19-R51 PolarHBondContact OD1-NH1 3.29Å; L22-R51 HydrophobicContact CD1-CB 4.38Å; I47-R51 PolarHBondContact O-N 3.38Å; A48-R51 PolarHBondContact O-N 3.36Å; R51-F53 PolarHBondContact O-N 3.41Å; R51-F53 VanDerWaalsContact O-N 3.15Å; R51-L54 PolarHBondContact O-N 3.06Å; R51-D55 WeakPolarHBondContact O-CB 3.29Å; R51-D55 PolarHBondContact O-N 2.96Å
52D94.6Very high90.2Very high57 Ų5735.3 Ų35.331%0.30518%0.179SC..Hα-helixtrans-55.6-37.3177.1-72.1-6.7000111.4A48 A56A48-D52 WeakPolarHBondContact O-CB 3.35Å; A48-D52 PolarHBondContact O-N 3.33Å; D52-A56 WeakPolarHBondContact O-CB 3.45Å; D52-A56 PolarHBondContact O-N 2.89Å
53F98.2Very high91.2Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-66.7-53.1178.6178.7-85.1000111.8F49 Q50 R51 D55 A56 H57 W71 I121 S122 W125 V157 C159 A174F49-F53 HydrophobicContact CZ-CD2 4.37Å; F49-F53 WeakPolarHBondContact O-CB 3.35Å; F49-F53 PolarHBondContact O-N 2.92Å; Q50-F53 WeakPolarHBondContact O-CB 3.2Å; Q50-F53 PolarHBondContact O-N 3.38Å; R51-F53 PolarHBondContact O-N 3.41Å; R51-F53 VanDerWaalsContact O-N 3.15Å; F53-D55 PolarHBondContact O-N 2.93Å; F53-A56 PolarHBondContact O-N 2.76Å; F53-H57 AromaticContact CD2-CE1 3.91Å; F53-H57 AromaticContact CE1-CD2 3.89Å; F53-H57 AromaticContact CE1-CE1 3.73Å; F53-H57 AromaticContact CE1-ND1 3.96Å; F53-H57 AromaticContact CE1-NE2 3.7Å; F53-H57 AromaticContact CE2-CE1 3.25Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.22Å; F53-H57 AromaticContact CE2-ND1 3.92Å; F53-H57 AromaticContact CE2-NE2 3.79Å; F53-H57 AromaticContact CZ-CD2 3.89Å; F53-H57 AromaticContact CZ-CE1 3.16Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.39Å; F53-H57 AromaticContact CZ-ND1 3.82Å; F53-H57 AromaticContact CZ-NE2 3.2Å; F53-H57 WeakPolarHBondContact CZ-NE2 3.45Å; F53-H57 WeakPolarHBondContact O-CB 3.48Å; F53-H57 PolarHBondContact O-N 2.88Å; F53-H57 PolarHBondContact O-ND1 3.26Å; F53-W71 HydrophobicContact CD1-CZ3 4.08Å; F53-I121 HydrophobicContact CD2-CG2 4.44Å; F53-I121 HydrophobicContact CE2-CG2 4.13Å; F53-S122 PolarHBondContact O-OG 3.46Å; F53-W125 HydrophobicContact CE2-CE3 4.34Å; F53-W125 AromaticContact CE2-CH2 3.93Å; F53-W125 HydrophobicContact CE2-CH2 3.93Å; F53-W125 AromaticContact CE2-CZ3 3.46Å; F53-W125 HydrophobicContact CE2-CZ3 3.46Å; F53-W125 VanDerWaalsContact CE2-CZ3 3.46Å; F53-W125 HydrophobicContact CZ-CH2 4.27Å; F53-W125 AromaticContact CZ-CZ3 3.65Å; F53-W125 HydrophobicContact CZ-CZ3 3.65Å; F53-V157 HydrophobicContact CE1-CG1 4.43Å; F53-V157 HydrophobicContact CE1-CG2 3.78Å; F53-V157 HydrophobicContact CZ-CG2 4.33Å; F53-C159 HydrophobicContact CD1-CB 3.75Å; F53-C159 HydrophobicContact CD2-CB 4.18Å; F53-C159 HydrophobicContact CE1-CB 3.53Å; F53-C159 HydrophobicContact CE2-CB 3.96Å; F53-C159 WeakPolarHBondContact CE2-SG 3.25Å; F53-C159 HydrophobicContact CG-CB 4.06Å; F53-C159 HydrophobicContact CZ-CB 3.62Å; F53-A174 HydrophobicContact CE1-CB 4.41Å; F53-A174 HydrophobicContact CE2-CB 4.32Å; F53-A174 HydrophobicContact CZ-CB 3.61Å
54L98Very high92.3Very high0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-61.6-46.2-178.7-178.265000111V14 L18 Q50 R51 A56 H57 N58 L69 W71 V157V14-L54 HydrophobicContact CG1-CD2 3.92Å; L18-L54 HydrophobicContact CB-CD2 4.18Å; L18-L54 HydrophobicContact CD2-CB 4.04Å; L18-L54 HydrophobicContact CD2-CD2 3.72Å; L18-L54 HydrophobicContact CG-CD2 4.46Å; Q50-L54 PolarHBondContact O-N 2.92Å; R51-L54 PolarHBondContact O-N 3.06Å; L54-A56 PolarHBondContact O-N 3.38Å; L54-H57 PolarHBondContact O-N 2.77Å; L54-N58 VanDerWaalsContact O-CB 3.3Å; L54-N58 WeakPolarHBondContact O-CB 3.3Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-L69 HydrophobicContact CD1-CB 4.2Å; L54-W71 HydrophobicContact CB-CE3 4.12Å; L54-W71 HydrophobicContact CB-CZ3 4.46Å; L54-W71 HydrophobicContact CD1-CE3 4.39Å; L54-W71 HydrophobicContact CD2-CB 4.01Å; L54-W71 HydrophobicContact CD2-CE3 4.43Å; L54-V157 HydrophobicContact CD1-CG1 3.7Å
55D95.9Very high93.1Very high40 Ų4035.1 Ų35.121%0.21418%0.18CC..Hα-helixtrans-62.9-44-178.5-69.1-14.5000111.1R51 F53 N58 R59R51-D55 WeakPolarHBondContact O-CB 3.29Å; R51-D55 PolarHBondContact O-N 2.96Å; F53-D55 PolarHBondContact O-N 2.93Å; D55-N58 PolarHBondContact O-N 3.03Å; D55-R59 WeakPolarHBondContact O-CG 3.48Å; D55-R59 PolarHBondContact O-N 2.96Å
56A97.7Very high93.8Very high3 Ų328.4 Ų28.43%0.02516%0.155CC..Hα-helixtrans-66.5-44.8178.200000112.2D52 F53 L54 N58 R59 I60 E119 S122D52-A56 WeakPolarHBondContact O-CB 3.45Å; D52-A56 PolarHBondContact O-N 2.89Å; F53-A56 PolarHBondContact O-N 2.76Å; L54-A56 PolarHBondContact O-N 3.38Å; A56-N58 VanDerWaalsContact C-N 3.29Å; A56-N58 PolarHBondContact O-N 2.75Å; A56-R59 PolarHBondContact O-N 3.14Å; A56-I60 WeakPolarHBondContact O-CD1 3.31Å; A56-I60 VanDerWaalsContact O-CG1 3.29Å; A56-I60 WeakPolarHBondContact O-CG1 3.24Å; A56-I60 PolarHBondContact O-N 2.6Å; A56-E119 HydrophobicContact CB-CB 3.94Å; A56-E119 HydrophobicContact CB-CG 3.68Å; A56-S122 WeakPolarHBondContact CB-OG 3.41Å
57H98.1Very high94.2Very high0 Ų028.9 Ų28.90%016%0.161CC..Hα-helixtrans-55.4-46.7172.8-91.347.2000111.1F53 L54 I60 R61 S122 W125 Y176F53-H57 AromaticContact CD2-CE1 3.91Å; F53-H57 AromaticContact CE1-CD2 3.89Å; F53-H57 AromaticContact CE1-CE1 3.73Å; F53-H57 AromaticContact CE1-ND1 3.96Å; F53-H57 AromaticContact CE1-NE2 3.7Å; F53-H57 AromaticContact CE2-CE1 3.25Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.22Å; F53-H57 AromaticContact CE2-ND1 3.92Å; F53-H57 AromaticContact CE2-NE2 3.79Å; F53-H57 AromaticContact CZ-CD2 3.89Å; F53-H57 AromaticContact CZ-CE1 3.16Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.39Å; F53-H57 AromaticContact CZ-ND1 3.82Å; F53-H57 AromaticContact CZ-NE2 3.2Å; F53-H57 WeakPolarHBondContact CZ-NE2 3.45Å; F53-H57 WeakPolarHBondContact O-CB 3.48Å; F53-H57 PolarHBondContact O-N 2.88Å; F53-H57 PolarHBondContact O-ND1 3.26Å; L54-H57 PolarHBondContact O-N 2.77Å; H57-I60 PolarHBondContact O-N 3.14Å; H57-R61 WeakPolarHBondContact O-CB 3.24Å; H57-R61 VanDerWaalsContact O-CG 3.24Å; H57-R61 WeakPolarHBondContact O-CG 3.34Å; H57-R61 PolarHBondContact O-N 2.94Å; H57-S122 PolarHBondContact CE1-OG 2.96Å; H57-S122 VanDerWaalsContact CE1-OG 3.31Å; H57-S122 WeakPolarHBondContact ND1-CB 3.4Å; H57-S122 PolarHBondContact ND1-OG 3.25Å; H57-W125 AromaticContact CE1-CE3 3.64Å; H57-W125 AromaticContact CE1-CZ3 3.71Å; H57-W125 AromaticContact NE2-CE3 3.78Å; H57-W125 AromaticContact NE2-CZ3 3.73Å; H57-Y176 AromaticContact NE2-CZ 3.91Å; H57-Y176 PolarHBondContact NE2-OH 3.2Å
58N97.8Very high94.7Very high2 Ų228.9 Ų28.91%0.01116%0.161CC..Hα-helixtrans-68.2-38.7-179.2-82.6-19.4000112.8L11 L54 D55 A56 R61 A62 L68 L69L11-N58 HydrophobicContact CD2-CB 4.1Å; L54-N58 VanDerWaalsContact O-CB 3.3Å; L54-N58 WeakPolarHBondContact O-CB 3.3Å; L54-N58 PolarHBondContact O-N 3.35Å; D55-N58 PolarHBondContact O-N 3.03Å; A56-N58 VanDerWaalsContact C-N 3.29Å; A56-N58 PolarHBondContact O-N 2.75Å; N58-R61 PolarHBondContact O-N 3.19Å; N58-A62 WeakPolarHBondContact O-CB 3.49Å; N58-A62 PolarHBondContact O-N 3.36Å; N58-L68 HydrophobicContact CB-CD2 3.98Å; N58-L68 WeakPolarHBondContact OD1-CA 3.45Å; N58-L69 PolarHBondContact ND2-O 3.03Å; N58-L69 PolarHBondContact OD1-N 2.93Å
59R94.9Very high95.2Very high107 Ų10727.3 Ų27.340%0.40415%0.148SC..Hα-helixtrans-58.9-46.9170.1-75.4-167.2-60.7-86.69111.5D55 A56 A62 Q63 E119D55-R59 WeakPolarHBondContact O-CG 3.48Å; D55-R59 PolarHBondContact O-N 2.96Å; A56-R59 PolarHBondContact O-N 3.14Å; R59-A62 WeakPolarHBondContact O-CB 3.41Å; R59-A62 PolarHBondContact O-N 2.95Å; R59-Q63 WeakPolarHBondContact O-CG 3.23Å; R59-Q63 PolarHBondContact O-N 2.92Å; R59-E119 IonicContact NH2-OE1 3.9Å; R59-E119 PolarHBondContact NH2-OE1 3.31Å
60I95.4Very high95.3Very high14 Ų1428.8 Ų28.87%0.07216%0.158CC..Hα-helixtrans-64.3-50178.9-66.9155.8000110.3A56 H57 A62 Q63 Y64 A126 L149 V150A56-I60 WeakPolarHBondContact O-CD1 3.31Å; A56-I60 VanDerWaalsContact O-CG1 3.29Å; A56-I60 WeakPolarHBondContact O-CG1 3.24Å; A56-I60 PolarHBondContact O-N 2.6Å; H57-I60 PolarHBondContact O-N 3.14Å; I60-A62 PolarHBondContact O-N 2.92Å; I60-Q63 WeakPolarHBondContact O-CB 3.4Å; I60-Q63 PolarHBondContact O-N 2.88Å; I60-Y64 HydrophobicContact CG2-CD2 4.27Å; I60-Y64 HydrophobicContact CG2-CE2 4.15Å; I60-Y64 WeakPolarHBondContact O-CD2 3.45Å; I60-Y64 PolarHBondContact O-N 3.03Å; I60-A126 HydrophobicContact CD1-CB 3.82Å; I60-A126 HydrophobicContact CG1-CB 4.32Å; I60-A126 HydrophobicContact CG2-CB 3.92Å; I60-L149 HydrophobicContact CB-CD2 3.97Å; I60-L149 HydrophobicContact CD1-CD1 4.44Å; I60-L149 HydrophobicContact CG2-CD2 3.44Å; I60-L149 VanDerWaalsContact CG2-CD2 3.44Å; I60-V150 HydrophobicContact CG2-CG1 4.38Å
61R96Very high95.3Very high0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-55.5-40.6177.5-74.1176.767.487.3-3.8111.8H57 N58 Q63 Y64 G65 S66 P67 L149 W151 T154H57-R61 WeakPolarHBondContact O-CB 3.24Å; H57-R61 VanDerWaalsContact O-CG 3.24Å; H57-R61 WeakPolarHBondContact O-CG 3.34Å; H57-R61 PolarHBondContact O-N 2.94Å; N58-R61 PolarHBondContact O-N 3.19Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; R61-Q63 PolarHBondContact O-N 3.07Å; R61-Y64 CarbonylContact O-C 3.54Å; R61-Y64 PolarHBondContact O-N 2.68Å; R61-Y64 VanDerWaalsContact O-N 3.17Å; R61-G65 PolarHBondContact O-N 3.09Å; R61-S66 PolarHBondContact O-N 3.28Å; R61-P67 PolarHBondContact NE-O 2.91Å; R61-P67 PolarHBondContact NH2-O 2.84Å; R61-L149 VanDerWaalsContact CD-O 3.31Å; R61-L149 WeakPolarHBondContact CD-O 3.28Å; R61-L149 HydrophobicContact CG-CD2 4.11Å; R61-L149 VanDerWaalsContact CG-O 3.24Å; R61-L149 WeakPolarHBondContact CG-O 3.48Å; R61-L149 PolarHBondContact NH1-O 2.75Å; R61-W151 PolarHBondContact NH1-O 3.24Å; R61-W151 PolarHBondContact NH2-O 2.85Å; R61-T154 PolarHBondContact NH2-O 3.38Å
62A92.8Very high95.5Very high19 Ų1926.3 Ų26.316%0.15715%0.15CC..Hα-helixtrans-63.2-33.5176.200000113.7N58 R59 I60 Y64 G65 L68N58-A62 WeakPolarHBondContact O-CB 3.49Å; N58-A62 PolarHBondContact O-N 3.36Å; R59-A62 WeakPolarHBondContact O-CB 3.41Å; R59-A62 PolarHBondContact O-N 2.95Å; I60-A62 PolarHBondContact O-N 2.92Å; A62-Y64 VanDerWaalsContact C-N 3.26Å; A62-Y64 PolarHBondContact O-N 3.34Å; A62-G65 PolarHBondContact O-N 3.37Å; A62-L68 HydrophobicContact CB-CD2 4.33Å
63Q91.4Very high95.4Very high63 Ų6324.9 Ų24.929%0.29414%0.142SC..Hα-helixtrans-67.1-28175-68.2170.524.100112.8R59 I60 R61 Y197R59-Q63 WeakPolarHBondContact O-CG 3.23Å; R59-Q63 PolarHBondContact O-N 2.92Å; I60-Q63 WeakPolarHBondContact O-CB 3.4Å; I60-Q63 PolarHBondContact O-N 2.88Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; R61-Q63 PolarHBondContact O-N 3.07Å; Q63-Y197 PolarHBondContact O-N 3.17Å
64Y91.4Very high95.2Very high14 Ų1430.2 Ų30.26%0.05517%0.167CC..THydrogen-bonded Turntrans-95.61.2174.9-68.5-94.3000112.2I60 R61 A62 S66 A129 F134 F146 V150 P193 R196I60-Y64 HydrophobicContact CG2-CD2 4.27Å; I60-Y64 HydrophobicContact CG2-CE2 4.15Å; I60-Y64 WeakPolarHBondContact O-CD2 3.45Å; I60-Y64 PolarHBondContact O-N 3.03Å; R61-Y64 CarbonylContact O-C 3.54Å; R61-Y64 PolarHBondContact O-N 2.68Å; R61-Y64 VanDerWaalsContact O-N 3.17Å; A62-Y64 VanDerWaalsContact C-N 3.26Å; A62-Y64 PolarHBondContact O-N 3.34Å; Y64-S66 VanDerWaalsContact C-N 3.26Å; Y64-S66 PolarHBondContact O-N 2.75Å; Y64-A129 VanDerWaalsContact OH-CB 3.27Å; Y64-A129 WeakPolarHBondContact OH-CB 3.32Å; Y64-F134 AromaticContact CE1-CE1 4Å; Y64-F134 HydrophobicContact CE1-CE1 4Å; Y64-F134 HydrophobicContact CE1-CZ 4.01Å; Y64-F146 HydrophobicContact CD1-CZ 4.28Å; Y64-F146 AromaticContact CE1-CE2 3.9Å; Y64-F146 HydrophobicContact CE1-CE2 3.9Å; Y64-F146 AromaticContact CE1-CZ 3.66Å; Y64-F146 HydrophobicContact CE1-CZ 3.66Å; Y64-F146 AromaticContact CE2-CE2 3.93Å; Y64-F146 HydrophobicContact CE2-CE2 3.93Å; Y64-F146 AromaticContact CZ-CE2 3.56Å; Y64-F146 AromaticContact CZ-CZ 3.8Å; Y64-V150 HydrophobicContact CD2-CG1 3.87Å; Y64-V150 HydrophobicContact CE2-CG1 4.31Å; Y64-V150 HydrophobicContact CG-CG1 4.13Å; Y64-P193 WeakPolarHBondContact O-CB 3.24Å; Y64-P193 WeakPolarHBondContact O-CG 3.47Å; Y64-R196 HydrophobicContact CD1-CG 4.22Å; Y64-R196 HydrophobicContact CD2-CG 4.34Å; Y64-R196 HydrophobicContact CE1-CG 3.62Å; Y64-R196 HydrophobicContact CE2-CG 3.73Å; Y64-R196 WeakPolarHBondContact OH-CG 3.43Å; Y64-R196 PolarHBondContact OH-NE 3.2Å
65G90.2Very high95.1Very high56 Ų5630.2 Ų30.258%0.57717%0.167SC*.THydrogen-bonded Turntrans70.518.5-178.700000114.5R61 A62R61-G65 PolarHBondContact O-N 3.09Å; A62-G65 PolarHBondContact O-N 3.37Å
66S94.2Very high95.1Very high5 Ų528.3 Ų28.34%0.03516%0.157CC..PPolyproline II helixtrans-79.3142.3172-67.20000110.7R61 Y64 V150 P193R61-S66 PolarHBondContact O-N 3.28Å; Y64-S66 VanDerWaalsContact C-N 3.26Å; Y64-S66 PolarHBondContact O-N 2.75Å; S66-V150 WeakPolarHBondContact CB-O 3.25Å; S66-V150 PolarHBondContact OG-O 2.78Å; S66-P193 VanDerWaalsContact OG-CG 3.23Å; S66-P193 WeakPolarHBondContact OG-CG 3.23Å
67P94.8Very high94.9Very high59 Ų5931.7 Ų31.738%0.38318%0.175SC..PPolyproline II helixtrans-56148175.3-25.234.4000112.1R61R61-P67 PolarHBondContact NE-O 2.91Å; R61-P67 PolarHBondContact NH2-O 2.84Å
68L96.8Very high94.7Very high36 Ų3634 Ų3419%0.18819%0.185CC..PPolyproline II helixtrans-66.1151.2178.1-52.5-179.3000111.1R10 L11 N58 A62R10-L68 HydrophobicContact CB-CD1 4.28Å; L11-L68 HydrophobicContact CD2-CD1 3.51Å; L11-L68 HydrophobicContact CD2-CD2 3.93Å; L11-L68 HydrophobicContact CD2-CG 4.35Å; L11-L68 HydrophobicContact CG-CD1 3.79Å; N58-L68 HydrophobicContact CB-CD2 3.98Å; N58-L68 WeakPolarHBondContact OD1-CA 3.45Å; A62-L68 HydrophobicContact CB-CD2 4.33Å
69L98.1Very high94.7Very high0 Ų033.9 Ų33.90%019%0.185CC..PPolyproline II helixtrans-90.7141.8172.6-59.9170.2000109.7V14 L54 N58 T154 R155 V157 Y176V14-L69 VanDerWaalsContact CG1-O 3.32Å; V14-L69 WeakPolarHBondContact CG1-O 3.4Å; L54-L69 HydrophobicContact CD1-CB 4.2Å; N58-L69 PolarHBondContact ND2-O 3.03Å; N58-L69 PolarHBondContact OD1-N 2.93Å; L69-T154 HydrophobicContact CD2-CG2 3.63Å; L69-R155 CarbonylContact C-O 3.6Å; L69-R155 VanDerWaalsContact CA-O 3.25Å; L69-R155 WeakPolarHBondContact CA-O 3.44Å; L69-V157 HydrophobicContact CB-CG1 3.94Å; L69-V157 HydrophobicContact CD1-CB 3.99Å; L69-V157 HydrophobicContact CD1-CG1 3.83Å; L69-V157 HydrophobicContact CG-CG1 4.47Å; L69-Y176 HydrophobicContact CD1-CD1 4.46Å; L69-Y176 HydrophobicContact CD1-CE1 4.37Å
70S97Very high94.7Very high34 Ų3432.3 Ų32.324%0.23818%0.182CC..EExtended strand (participates in β ladder)trans-89.5153.6161.254.40000110.7R155 E156 V157S70-R155 PolarHBondContact N-O 2.89Å; S70-R155 PolarHBondContact OG-O 3Å; S70-E156 WeakPolarHBondContact O-CA 3.32Å; S70-E156 WeakPolarHBondContact OG-CG 3.44Å; S70-V157 PolarHBondContact O-N 3.18Å
71W96.3Very high94.7Very high30 Ų3035.3 Ų35.311%0.11420%0.204CC..EExtended strand (participates in β ladder)trans-73.3137.9171.5-168.5-107.5000110.9L18 H21 Q50 F53 L54 A76 V157 C159L18-W71 HydrophobicContact CD1-CB 3.84Å; L18-W71 HydrophobicContact CD1-CD2 3.77Å; L18-W71 HydrophobicContact CD1-CE3 4.43Å; L18-W71 HydrophobicContact CD1-CG 3.47Å; L18-W71 VanDerWaalsContact CD1-CG 3.47Å; H21-W71 AromaticContact CD2-CD1 3.89Å; Q50-W71 HydrophobicContact CB-CH2 3.57Å; Q50-W71 HydrophobicContact CB-CZ2 3.75Å; Q50-W71 HydrophobicContact CB-CZ3 4.23Å; Q50-W71 HydrophobicContact CG-CH2 3.51Å; Q50-W71 HydrophobicContact CG-CZ2 3.57Å; F53-W71 HydrophobicContact CD1-CZ3 4.08Å; L54-W71 HydrophobicContact CB-CE3 4.12Å; L54-W71 HydrophobicContact CB-CZ3 4.46Å; L54-W71 HydrophobicContact CD1-CE3 4.39Å; L54-W71 HydrophobicContact CD2-CB 4.01Å; L54-W71 HydrophobicContact CD2-CE3 4.43Å; W71-A76 HydrophobicContact CH2-CB 4.36Å; W71-A76 HydrophobicContact CZ2-CB 3.52Å; W71-V157 CarbonylContact C-O 3.29Å; W71-V157 WeakPolarHBondContact CA-O 3.25Å; W71-C159 HydrophobicContact CH2-CB 3.97Å; W71-C159 HydrophobicContact CZ3-CB 4.32Å
72C95.3Very high94.7Very high13 Ų1336.6 Ų36.69%0.08821%0.209CC..  trans-123.7110.2170.5-174.80000110Q74 L75 A76 E156 V157C72-Q74 VanDerWaalsContact C-N 3.3Å; C72-Q74 PolarHBondContact O-N 3.02Å; C72-L75 HydrophobicContact CB-CB 4.17Å; C72-L75 HydrophobicContact CB-CD1 3.88Å; C72-L75 HydrophobicContact CB-CG 3.92Å; C72-L75 PolarHBondContact O-N 3.34Å; C72-A76 PolarHBondContact O-N 3.36Å; C72-E156 HydrophobicContact CB-CB 4.03Å; C72-E156 HydrophobicContact CB-CG 4.5Å; C72-V157 PolarHBondContact N-O 3.11Å
73Q92.2Very high94.9Very high27 Ų2735.7 Ų35.713%0.12620%0.202CC..Hα-helixtrans-64.4-35.8-177.7-171.857.633.400113H21 L75 A76 D77H21-Q73 PolarHBondContact CD2-OE1 2.82Å; H21-Q73 WeakPolarHBondContact CE1-CB 3.47Å; H21-Q73 WeakPolarHBondContact CE1-CG 3.42Å; H21-Q73 WeakPolarHBondContact NE2-CB 3.24Å; H21-Q73 VanDerWaalsContact NE2-CG 3.26Å; H21-Q73 WeakPolarHBondContact NE2-CG 3.49Å; H21-Q73 PolarHBondContact NE2-OE1 3.48Å; Q73-L75 VanDerWaalsContact C-N 3.26Å; Q73-L75 PolarHBondContact O-N 3.48Å; Q73-A76 CarbonylContact O-C 3.56Å; Q73-A76 WeakPolarHBondContact O-CA 3.27Å; Q73-A76 WeakPolarHBondContact O-CB 3.38Å; Q73-A76 PolarHBondContact O-N 3.29Å; Q73-D77 PolarHBondContact NE2-OD1 2.96Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.42Å
74Q94.1Very high95Very high112 Ų11234.6 Ų34.652%0.52320%0.203SC..Hα-helixtrans-57.8-42.5177-175-173.1-18.300111.2C72 A76 D77 E78C72-Q74 VanDerWaalsContact C-N 3.3Å; C72-Q74 PolarHBondContact O-N 3.02Å; Q74-A76 VanDerWaalsContact C-N 3.31Å; Q74-A76 PolarHBondContact O-N 3.21Å; Q74-D77 PolarHBondContact O-N 3.37Å; Q74-E78 PolarHBondContact NE2-OE1 2.97Å; Q74-E78 WeakPolarHBondContact O-CG 3.35Å; Q74-E78 PolarHBondContact O-N 3.06Å
75L96.9Very high95.2Very high1 Ų137.2 Ų37.21%0.00522%0.218CC..Hα-helixtrans-65.5-35.3175.4-64.8-177.3000111.8C72 Q73 A79 L100 E156 F175 R177C72-L75 HydrophobicContact CB-CB 4.17Å; C72-L75 HydrophobicContact CB-CD1 3.88Å; C72-L75 HydrophobicContact CB-CG 3.92Å; C72-L75 PolarHBondContact O-N 3.34Å; Q73-L75 VanDerWaalsContact C-N 3.26Å; Q73-L75 PolarHBondContact O-N 3.48Å; L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.38Å; L75-A79 PolarHBondContact O-N 2.94Å; L75-L100 HydrophobicContact CD2-CD1 3.93Å; L75-L100 HydrophobicContact CD2-CD2 3.66Å; L75-L100 HydrophobicContact CD2-CG 4.46Å; L75-E156 HydrophobicContact CD1-CB 4.28Å; L75-F175 HydrophobicContact CB-CB 4.11Å; L75-F175 HydrophobicContact CD2-CB 4.09Å; L75-F175 HydrophobicContact CG-CB 4.5Å; L75-R177 HydrophobicContact CD1-CB 3.99Å
76A95.8Very high95.5Very high0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-69.9-38.5177.400000112.4W71 C72 Q73 Q74 A79 E80W71-A76 HydrophobicContact CH2-CB 4.36Å; W71-A76 HydrophobicContact CZ2-CB 3.52Å; C72-A76 PolarHBondContact O-N 3.36Å; Q73-A76 CarbonylContact O-C 3.56Å; Q73-A76 WeakPolarHBondContact O-CA 3.27Å; Q73-A76 WeakPolarHBondContact O-CB 3.38Å; Q73-A76 PolarHBondContact O-N 3.29Å; Q74-A76 VanDerWaalsContact C-N 3.31Å; Q74-A76 PolarHBondContact O-N 3.21Å; A76-A79 PolarHBondContact O-N 3.46Å; A76-E80 WeakPolarHBondContact O-CB 3.46Å; A76-E80 PolarHBondContact O-N 2.96Å
77D93.1Very high95.5Very high74 Ų7434.9 Ų34.940%0.39619%0.192SC..Hα-helixtrans-67.8-39.9175.6-63.2-22.4000110.8K25 Q73 Q74 E80 S81K25-D77 IonicContact NZ-OD1 2.71Å; Q73-D77 PolarHBondContact NE2-OD1 2.96Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.42Å; Q74-D77 PolarHBondContact O-N 3.37Å; D77-E80 PolarHBondContact O-N 3.05Å; D77-S81 PolarHBondContact O-N 3.28Å; D77-S81 VanDerWaalsContact O-N 3.13Å
78E94.9Very high95.3Very high47 Ų4737.9 Ų37.922%0.2221%0.205CC..Hα-helixtrans-63.3-42.2171.7-73.6-174.2-134.400111.5Q74 E80 S81 W82 Q97 F175Q74-E78 PolarHBondContact NE2-OE1 2.97Å; Q74-E78 WeakPolarHBondContact O-CG 3.35Å; Q74-E78 PolarHBondContact O-N 3.06Å; E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 2.87Å; E78-S81 PolarHBondContact O-N 3.46Å; E78-W82 WeakPolarHBondContact O-CB 3.26Å; E78-W82 PolarHBondContact O-N 3.41Å; E78-Q97 PolarHBondContact OE2-NE2 3.31Å; E78-F175 HydrophobicContact CB-CD2 3.94Å; E78-F175 HydrophobicContact CB-CE2 4Å
79A96.9Very high95.1Very high0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-64.6-36.5176.800000112.1L75 A76 W82 A83 V173 F175L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.38Å; L75-A79 PolarHBondContact O-N 2.94Å; A76-A79 PolarHBondContact O-N 3.46Å; A79-W82 PolarHBondContact O-N 2.71Å; A79-A83 WeakPolarHBondContact O-CB 3.28Å; A79-A83 PolarHBondContact O-N 3.4Å; A79-V173 HydrophobicContact CB-CB 4.04Å; A79-V173 HydrophobicContact CB-CG1 3.87Å; A79-V173 WeakPolarHBondContact CB-O 3.43Å; A79-F175 HydrophobicContact CB-CD2 3.83Å; A79-F175 HydrophobicContact CB-CE2 4.18Å
80E95.5Very high94.7Very high74 Ų7443.9 Ų43.935%0.34623%0.232SC..Hα-helixtrans-62.3-51.4175.3175.2169.5-173.800111.6A76 D77 E78 W82 A83 A84 S160A76-E80 WeakPolarHBondContact O-CB 3.46Å; A76-E80 PolarHBondContact O-N 2.96Å; D77-E80 PolarHBondContact O-N 3.05Å; E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 2.87Å; E80-W82 VanDerWaalsContact C-N 3.27Å; E80-W82 PolarHBondContact O-N 3.2Å; E80-A83 PolarHBondContact O-N 2.98Å; E80-A84 PolarHBondContact O-N 3.22Å; E80-S160 VanDerWaalsContact CA-CB 3.41Å; E80-S160 WeakPolarHBondContact CA-OG 3.14Å; E80-S160 WeakPolarHBondContact CB-OG 3.27Å
81S94.8Very high94.5Very high77 Ų7749.8 Ų49.854%0.53825%0.249SC..Hα-helixtrans-56.6-44.7176.4-175.50000111.1D77 E78 A84 D85D77-S81 PolarHBondContact O-N 3.28Å; D77-S81 VanDerWaalsContact O-N 3.13Å; E78-S81 PolarHBondContact O-N 3.46Å; S81-A84 PolarHBondContact O-N 3.36Å; S81-D85 PolarHBondContact O-N 3.41Å
82W95.9Very high94.3Very high28 Ų2851.9 Ų51.911%0.10626%0.262CS..Hα-helixtrans-71.4-39-179.1-166.7-132.4000113.8E78 A79 E80 A84 D85 L86 I93 K95 E102 F175E78-W82 WeakPolarHBondContact O-CB 3.26Å; E78-W82 PolarHBondContact O-N 3.41Å; A79-W82 PolarHBondContact O-N 2.71Å; E80-W82 VanDerWaalsContact C-N 3.27Å; E80-W82 PolarHBondContact O-N 3.2Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.37Å; W82-D85 HydrophobicContact CE3-CB 3.8Å; W82-D85 HydrophobicContact CZ3-CB 3.99Å; W82-D85 PolarHBondContact O-N 3.18Å; W82-L86 HydrophobicContact CD2-CG 4.32Å; W82-L86 HydrophobicContact CG-CD1 4.4Å; W82-L86 HydrophobicContact CZ2-CD2 4.12Å; W82-L86 HydrophobicContact CZ2-CG 4.49Å; W82-L86 WeakPolarHBondContact O-CB 3.39Å; W82-L86 WeakPolarHBondContact O-CG 3.49Å; W82-L86 PolarHBondContact O-N 3.4Å; W82-I93 HydrophobicContact CZ2-CB 4.35Å; W82-I93 HydrophobicContact CZ2-CG2 4.38Å; W82-I93 VanDerWaalsContact CZ2-O 3.27Å; W82-I93 WeakPolarHBondContact CZ2-O 3.37Å; W82-I93 PolarHBondContact NE1-O 3.07Å; W82-K95 HydrophobicContact CD2-CD 4.32Å; W82-K95 HydrophobicContact CZ2-CB 4.18Å; W82-E102 PolarHBondContact NE1-OE1 2.98Å; W82-F175 HydrophobicContact CB-CE2 4.23Å; W82-F175 HydrophobicContact CB-CZ 4.18Å; W82-F175 AromaticContact CD1-CZ 3.82Å; W82-F175 HydrophobicContact CG-CZ 4.2Å
83A96.3Very high94.1Very high0 Ų053.3 Ų53.30%027%0.268CS..Hα-helixtrans-61.3-37.6174.800000111.7A79 E80 L86 L87 Q162 V171 V173A79-A83 WeakPolarHBondContact O-CB 3.28Å; A79-A83 PolarHBondContact O-N 3.4Å; E80-A83 PolarHBondContact O-N 2.98Å; A83-L86 PolarHBondContact O-N 2.87Å; A83-L87 WeakPolarHBondContact O-CG 3.47Å; A83-L87 PolarHBondContact O-N 3.19Å; A83-Q162 HydrophobicContact CB-CB 3.97Å; A83-Q162 HydrophobicContact CB-CG 3.51Å; A83-V171 HydrophobicContact CB-CB 4.4Å; A83-V171 HydrophobicContact CB-CG1 4.06Å; A83-V173 HydrophobicContact CB-CB 4.29Å; A83-V173 HydrophobicContact CB-CG2 3.76Å
84A95.1Very high93.8Very high39 Ų3956.1 Ų56.132%0.32228%0.278SS..Hα-helixtrans-64.8-41.2174.600000112.3E80 S81 W82 L87 N88E80-A84 PolarHBondContact O-N 3.22Å; S81-A84 PolarHBondContact O-N 3.36Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.37Å; A84-L87 WeakPolarHBondContact O-CB 3.08Å; A84-L87 PolarHBondContact O-N 2.99Å; A84-N88 PolarHBondContact O-ND2 3.09Å
85D94.9Very high93.1Very high69 Ų6954.5 Ų54.537%0.36927%0.269SS..Hα-helixtrans-64.2-44.3174.2-83.5-8.8000112.1S81 W82 L87 N88 R89S81-D85 PolarHBondContact O-N 3.41Å; W82-D85 HydrophobicContact CE3-CB 3.8Å; W82-D85 HydrophobicContact CZ3-CB 3.99Å; W82-D85 PolarHBondContact O-N 3.18Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3.15Å; D85-N88 PolarHBondContact O-N 2.93Å; D85-R89 WeakPolarHBondContact O-CG 3.2Å; D85-R89 PolarHBondContact O-N 3.01Å
86L95.9Very high91.8Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-67-29.9179.2-72.5178.8000112.8W82 A83 N88 R89 G90 I93 I104 V171 V173W82-L86 HydrophobicContact CD2-CG 4.32Å; W82-L86 HydrophobicContact CG-CD1 4.4Å; W82-L86 HydrophobicContact CZ2-CD2 4.12Å; W82-L86 HydrophobicContact CZ2-CG 4.49Å; W82-L86 WeakPolarHBondContact O-CB 3.39Å; W82-L86 WeakPolarHBondContact O-CG 3.49Å; W82-L86 PolarHBondContact O-N 3.4Å; A83-L86 PolarHBondContact O-N 2.87Å; L86-N88 VanDerWaalsContact C-N 3.3Å; L86-N88 PolarHBondContact O-N 2.97Å; L86-R89 PolarHBondContact O-N 3.47Å; L86-G90 PolarHBondContact O-N 2.95Å; L86-I93 HydrophobicContact CD2-CB 4.01Å; L86-I93 HydrophobicContact CD2-CG1 4.4Å; L86-I104 HydrophobicContact CD1-CD1 3.73Å; L86-I104 HydrophobicContact CD1-CG1 4.18Å; L86-I104 HydrophobicContact CD1-CG2 3.85Å; L86-V171 HydrophobicContact CB-CG1 3.86Å; L86-V171 HydrophobicContact CB-CG2 4.38Å; L86-V171 HydrophobicContact CD1-CG1 4.08Å; L86-V173 HydrophobicContact CD1-CG2 3.79Å
87L93.7Very high90.7Very high13 Ų1364.5 Ų64.57%0.06832%0.321CS..Hα-helixtrans-55.6-48.9170.8-84173.4000110.5A83 A84 D85 R89 G90 Q162 Q167 R169 V171A83-L87 WeakPolarHBondContact O-CG 3.47Å; A83-L87 PolarHBondContact O-N 3.19Å; A84-L87 WeakPolarHBondContact O-CB 3.08Å; A84-L87 PolarHBondContact O-N 2.99Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3.15Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 3.42Å; L87-G90 PolarHBondContact O-N 2.92Å; L87-Q162 HydrophobicContact CD1-CB 3.5Å; L87-Q162 VanDerWaalsContact CD1-CB 3.5Å; L87-Q162 HydrophobicContact CG-CB 4.23Å; L87-Q167 PolarHBondContact O-OE1 2.93Å; L87-R169 HydrophobicContact CD2-CB 4.05Å; L87-R169 HydrophobicContact CD2-CG 3.91Å; L87-R169 WeakPolarHBondContact CD2-O 3.46Å; L87-R169 PolarHBondContact O-NH1 3.4Å; L87-V171 HydrophobicContact CB-CG2 4.46Å; L87-V171 HydrophobicContact CD2-CB 4.33Å; L87-V171 HydrophobicContact CD2-CG2 3.65Å; L87-V171 HydrophobicContact CG-CB 4.25Å; L87-V171 HydrophobicContact CG-CG2 3.8Å
88N91.5Very high89.8Confident122 Ų12270 Ų7065%0.65235%0.345SS*.Hα-helixtrans-66.4-34.3-179.6-66.9-42.6000112.7A84 D85 L86A84-N88 PolarHBondContact O-ND2 3.09Å; D85-N88 PolarHBondContact O-N 2.93Å; L86-N88 VanDerWaalsContact C-N 3.3Å; L86-N88 PolarHBondContact O-N 2.97Å
89R92.7Very high89.3Confident138 Ų13870.1 Ų70.152%0.52136%0.358SS..Hα-helixtrans-79.2-32.8-179.2-64.9168.2-178.2-82.70.6113.2D85 L86 L87 R91D85-R89 WeakPolarHBondContact O-CG 3.2Å; D85-R89 PolarHBondContact O-N 3.01Å; L86-R89 PolarHBondContact O-N 3.47Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 3.42Å; R89-R91 VanDerWaalsContact C-N 3.26Å; R89-R91 PolarHBondContact O-N 3.21Å
90G90.3Very high89.2Confident23 Ų2371.7 Ų71.724%0.23737%0.366CS..  trans69.613.8175.600000117.1L86 L87L86-G90 PolarHBondContact O-N 2.95Å; L87-G90 PolarHBondContact O-N 2.92Å
91R91.9Very high89.2Confident159 Ų15968.4 Ų68.460%0.635%0.352SS*.SBendtrans-143.5152.1177.263.1-174.3178.8102.7-4.9109.4R89 I93R89-R91 VanDerWaalsContact C-N 3.26Å; R89-R91 PolarHBondContact O-N 3.21Å; R91-I93 HydrophobicContact CG-CD1 4.29Å; R91-I93 HydrophobicContact CG-CG1 4.05Å; R91-I93 PolarHBondContact O-N 3.01Å
92I92.2Very high89.3Confident74 Ų7465.7 Ų65.738%0.37933%0.331SS..  trans-66.1124.5176-64.1178.5000108Y94 I104 I106I92-Y94 HydrophobicContact CG2-CD2 4.09Å; I92-Y94 HydrophobicContact CG2-CE1 4.3Å; I92-Y94 HydrophobicContact CG2-CE2 3.63Å; I92-I104 HydrophobicContact CD1-CG2 4.37Å; I92-I104 HydrophobicContact CG1-CB 4.39Å; I92-I104 HydrophobicContact CG1-CG2 3.88Å; I92-I104 HydrophobicContact CG2-CB 4.1Å; I92-I104 HydrophobicContact CG2-CD1 3.81Å; I92-I104 HydrophobicContact CG2-CG2 4.31Å; I92-I106 HydrophobicContact CG1-CD1 3.89Å; I92-I106 HydrophobicContact CG1-CG1 3.87Å
93I90.9Very high89.4Confident42 Ų4264.4 Ų64.422%0.21533%0.326CS..  trans-132115.6170.1-55.2-172.2000105.2W82 L86 R91 I104W82-I93 HydrophobicContact CZ2-CB 4.35Å; W82-I93 HydrophobicContact CZ2-CG2 4.38Å; W82-I93 VanDerWaalsContact CZ2-O 3.27Å; W82-I93 WeakPolarHBondContact CZ2-O 3.37Å; W82-I93 PolarHBondContact NE1-O 3.07Å; L86-I93 HydrophobicContact CD2-CB 4.01Å; L86-I93 HydrophobicContact CD2-CG1 4.4Å; R91-I93 HydrophobicContact CG-CD1 4.29Å; R91-I93 HydrophobicContact CG-CG1 4.05Å; R91-I93 PolarHBondContact O-N 3.01Å; I93-I104 WeakPolarHBondContact O-CD1 3.38Å
94Y87Confident89.5Confident87 Ų8764.5 Ų64.534%0.34133%0.327SS..  trans-74.9140.7174.6-65.7-78.9000109.8I92 E102 I104 Q144I92-Y94 HydrophobicContact CG2-CD2 4.09Å; I92-Y94 HydrophobicContact CG2-CE1 4.3Å; I92-Y94 HydrophobicContact CG2-CE2 3.63Å; Y94-E102 WeakPolarHBondContact CA-OE2 3.43Å; Y94-E102 WeakPolarHBondContact CB-OE2 3.35Å; Y94-E102 HydrophobicContact CD1-CB 4.29Å; Y94-E102 HydrophobicContact CD1-CG 3.99Å; Y94-E102 WeakPolarHBondContact CD1-OE2 3.44Å; Y94-E102 HydrophobicContact CE1-CG 4.47Å; Y94-I104 HydrophobicContact CD1-CD1 3.96Å; Y94-I104 HydrophobicContact CE1-CD1 4.11Å; Y94-I104 HydrophobicContact CE1-CG1 4.34Å; Y94-Q144 VanDerWaalsContact OH-CD 3.22Å; Y94-Q144 PolarHBondContact OH-NE2 2.84Å; Y94-Q144 PolarHBondContact OH-OE1 2.71Å
95K78.3Confident89.6Confident77 Ų7763.1 Ų63.134%0.33532%0.315SS..  trans-85.5130178.2-164.5168.5164-155.30108.7W82 Q97 E102W82-K95 HydrophobicContact CD2-CD 4.32Å; W82-K95 HydrophobicContact CZ2-CB 4.18Å; K95-Q97 HydrophobicContact CD-CG 3.96Å; K95-Q97 HydrophobicContact CG-CB 4.44Å; K95-Q97 HydrophobicContact CG-CG 3.93Å; K95-Q97 PolarHBondContact O-N 2.82Å; K95-E102 PolarHBondContact N-OE2 3.46Å
96D70.1Confident89.7Confident161 Ų16162 Ų6286%0.86131%0.309SS*.  trans-76.764.4173-171.518.3000110.1
97Q71.9Confident89.8Confident51 Ų5164.2 Ų64.224%0.23832%0.32CS..  trans-97.9109176.3-96.7-178.3-60.700109.9E78 K95 G99 L100E78-Q97 PolarHBondContact OE2-NE2 3.31Å; K95-Q97 HydrophobicContact CD-CG 3.96Å; K95-Q97 HydrophobicContact CG-CB 4.44Å; K95-Q97 HydrophobicContact CG-CG 3.93Å; K95-Q97 PolarHBondContact O-N 2.82Å; Q97-G99 PolarHBondContact O-N 3.01Å; Q97-G99 VanDerWaalsContact O-N 3.14Å; Q97-L100 HydrophobicContact CB-CB 4.39Å; Q97-L100 PolarHBondContact O-N 2.88Å
98Q75.5Confident89.9Confident190 Ų19071 Ų7189%0.88835%0.349SS*.THydrogen-bonded Turntrans-57.8121.5176.4-67.9-170.9-7.700111.1
99G84.3Confident90.1Very high49 Ų4966 Ų6651%0.50532%0.322SS..THydrogen-bonded Turntrans91.3-5.4171.400000116.2Q97 A179Q97-G99 PolarHBondContact O-N 3.01Å; Q97-G99 VanDerWaalsContact O-N 3.14Å; G99-A179 PolarHBondContact O-N 3.37Å; G99-A179 VanDerWaalsContact O-N 3.07Å
100L94.2Very high90.2Very high33 Ų3363.5 Ų63.517%0.17332%0.316CS..  trans-103.1133.8172.4-60.7-173.9000111L75 Q97 F175 Y176 R177 A179L75-L100 HydrophobicContact CD2-CD1 3.93Å; L75-L100 HydrophobicContact CD2-CD2 3.66Å; L75-L100 HydrophobicContact CD2-CG 4.46Å; Q97-L100 HydrophobicContact CB-CB 4.39Å; Q97-L100 PolarHBondContact O-N 2.88Å; L100-F175 HydrophobicContact CD1-CG 4.49Å; L100-Y176 WeakPolarHBondContact CA-O 3.24Å; L100-R177 HydrophobicContact CD2-CB 4.1Å; L100-R177 HydrophobicContact CD2-CG 4.31Å; L100-A179 VanDerWaalsContact C-CB 3.45Å
101G96Very high90.3Very high5 Ų563.5 Ų63.55%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-82.1152.316600000109.7Q148 F175 Y176G101-Q148 VanDerWaalsContact CA-OE1 3.22Å; G101-F175 CarbonylContact O-C 3.57Å; G101-F175 VanDerWaalsContact O-CA 3.27Å; G101-F175 WeakPolarHBondContact O-CA 3.06Å; G101-Y176 PolarHBondContact N-O 3.39Å; G101-Y176 PolarHBondContact O-N 3.38Å
102E96Very high90.1Very high20 Ų2059.2 Ų59.29%0.09331%0.305CS..EExtended strand (participates in β ladder)trans-140.2129.9-175.4-178.7175.7-150.100111W82 Y94 K95 I104 A174 F175W82-E102 PolarHBondContact NE1-OE1 2.98Å; Y94-E102 WeakPolarHBondContact CA-OE2 3.43Å; Y94-E102 WeakPolarHBondContact CB-OE2 3.35Å; Y94-E102 HydrophobicContact CD1-CB 4.29Å; Y94-E102 HydrophobicContact CD1-CG 3.99Å; Y94-E102 WeakPolarHBondContact CD1-OE2 3.44Å; Y94-E102 HydrophobicContact CE1-CG 4.47Å; K95-E102 PolarHBondContact N-OE2 3.46Å; E102-I104 HydrophobicContact CG-CD1 4.11Å; E102-I104 HydrophobicContact CG-CG1 3.89Å; E102-I104 VanDerWaalsContact OE1-CD1 3.32Å; E102-I104 WeakPolarHBondContact OE1-CD1 3.29Å; E102-A174 WeakPolarHBondContact CA-O 3.3Å; E102-F175 HydrophobicContact CB-CD1 3.99Å; E102-F175 HydrophobicContact CB-CE1 3.9Å; E102-F175 HydrophobicContact CG-CD1 4.08Å; E102-F175 HydrophobicContact CG-CE1 3.65Å
103N98.4Very high89.9Confident0 Ų066.2 Ų66.20%033%0.327CS..EExtended strand (participates in β ladder)trans-119.6138.1165.2-69.88.6000109.1W125 N145 Q148 V173 A174 Y176N103-W125 HydrophobicContact CB-CD2 4.06Å; N103-W125 HydrophobicContact CB-CE3 4.02Å; N103-W125 HydrophobicContact CB-CH2 3.48Å; N103-W125 VanDerWaalsContact CB-CH2 3.48Å; N103-W125 HydrophobicContact CB-CZ2 3.5Å; N103-W125 VanDerWaalsContact CB-CZ2 3.5Å; N103-W125 HydrophobicContact CB-CZ3 3.72Å; N103-W125 VanDerWaalsContact ND2-CE3 3.34Å; N103-N145 WeakPolarHBondContact CA-OD1 3.42Å; N103-N145 HydrophobicContact CB-CB 4.43Å; N103-N145 VanDerWaalsContact CB-OD1 3.25Å; N103-N145 WeakPolarHBondContact CB-OD1 3.47Å; N103-N145 VanDerWaalsContact CG-OD1 3.31Å; N103-N145 WeakPolarHBondContact ND2-CA 3.39Å; N103-N145 PolarHBondContact ND2-O 3.13Å; N103-Q148 VanDerWaalsContact OD1-CB 3.25Å; N103-Q148 WeakPolarHBondContact OD1-CB 3.38Å; N103-Q148 VanDerWaalsContact OD1-CG 3.28Å; N103-Q148 WeakPolarHBondContact OD1-CG 3.25Å; N103-V173 WeakPolarHBondContact O-CA 3.23Å; N103-A174 PolarHBondContact N-O 3.24Å; N103-A174 PolarHBondContact O-N 3.45Å; N103-Y176 HydrophobicContact CB-CE2 3.92Å; N103-Y176 PolarHBondContact ND2-OH 3.49Å; N103-Y176 VanDerWaalsContact ND2-OH 3.09Å
104I98.1Very high90.1Very high3 Ų369.5 Ų69.52%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-130.2136.4179.2-58167.4000109.8L86 I92 I93 Y94 E102 I106 V171 V172 V173L86-I104 HydrophobicContact CD1-CD1 3.73Å; L86-I104 HydrophobicContact CD1-CG1 4.18Å; L86-I104 HydrophobicContact CD1-CG2 3.85Å; I92-I104 HydrophobicContact CD1-CG2 4.37Å; I92-I104 HydrophobicContact CG1-CB 4.39Å; I92-I104 HydrophobicContact CG1-CG2 3.88Å; I92-I104 HydrophobicContact CG2-CB 4.1Å; I92-I104 HydrophobicContact CG2-CD1 3.81Å; I92-I104 HydrophobicContact CG2-CG2 4.31Å; I93-I104 WeakPolarHBondContact O-CD1 3.38Å; Y94-I104 HydrophobicContact CD1-CD1 3.96Å; Y94-I104 HydrophobicContact CE1-CD1 4.11Å; Y94-I104 HydrophobicContact CE1-CG1 4.34Å; E102-I104 HydrophobicContact CG-CD1 4.11Å; E102-I104 HydrophobicContact CG-CG1 3.89Å; E102-I104 VanDerWaalsContact OE1-CD1 3.32Å; E102-I104 WeakPolarHBondContact OE1-CD1 3.29Å; I104-I106 HydrophobicContact CG2-CG1 4.04Å; I104-V171 HydrophobicContact CG2-CG1 4.44Å; I104-V172 CarbonylContact C-O 3.6Å; I104-V172 WeakPolarHBondContact CA-O 3.49Å; I104-V173 HydrophobicContact CG1-CG2 4.31Å
105A98.1Very high90.5Very high9 Ų966.8 Ų66.87%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-124131.5163.500000110.2M107 I121 L124 W125 V171 V172A105-M107 HydrophobicContact CB-CE 3.79Å; A105-I121 HydrophobicContact CB-CD1 4.41Å; A105-L124 HydrophobicContact CB-CD2 4.44Å; A105-W125 HydrophobicContact CB-CZ2 4.48Å; A105-V171 CarbonylContact O-C 3.55Å; A105-V171 WeakPolarHBondContact O-CA 3.47Å; A105-V172 HydrophobicContact CB-CB 4.39Å; A105-V172 PolarHBondContact N-O 3.43Å; A105-V172 PolarHBondContact O-N 2.96Å
106I97.4Very high91.3Very high47 Ų4763.6 Ų63.624%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-119.6129.4170.8-55.6-169.9000108.1I92 I104 R169 A170 V171I92-I106 HydrophobicContact CG1-CD1 3.89Å; I92-I106 HydrophobicContact CG1-CG1 3.87Å; I104-I106 HydrophobicContact CG2-CG1 4.04Å; I106-R169 HydrophobicContact CG2-CG 3.82Å; I106-A170 WeakPolarHBondContact CA-O 3.22Å; I106-V171 HydrophobicContact CD1-CG2 4.28Å; I106-V171 HydrophobicContact CG1-CG1 4.25Å; I106-V171 HydrophobicContact CG1-CG2 4.01Å; I106-V171 HydrophobicContact CG2-CG2 4.25Å
107M96.8Very high92.5Very high46 Ų4658.2 Ų58.223%0.22730%0.296CS..EExtended strand (participates in β ladder)trans-146154.1-176.958.9-169.678.200112.3A105 I109 P116 I121 L124 R169 A170A105-M107 HydrophobicContact CB-CE 3.79Å; M107-I109 HydrophobicContact CG-CD1 4.01Å; M107-I109 HydrophobicContact CG-CG1 3.85Å; M107-I109 HydrophobicContact SD-CD1 4.06Å; M107-I109 HydrophobicContact SD-CG1 4.4Å; M107-P116 HydrophobicContact CE-CG 4.17Å; M107-P116 HydrophobicContact SD-CB 4.19Å; M107-P116 HydrophobicContact SD-CG 3.61Å; M107-I121 HydrophobicContact CE-CD1 3.52Å; M107-L124 HydrophobicContact CE-CD2 4.46Å; M107-R169 CarbonylContact O-C 3.59Å; M107-R169 WeakPolarHBondContact O-CA 3.49Å; M107-A170 HydrophobicContact CG-CB 4.01Å; M107-A170 PolarHBondContact N-O 3.05Å; M107-A170 PolarHBondContact O-N 3.36Å
108K96.8Very high93.8Very high156 Ų15655.8 Ų55.868%0.67828%0.284SS*.EExtended strand (participates in β ladder)trans-82.8121.9174.6-166.4-170.9-169-146.60109.4E110 K168K108-E110 WeakPolarHBondContact CE-OE1 3.25Å; K108-E110 IonicContact NZ-OE1 2.69Å; K108-E110 PolarHBondContact NZ-OE1 3.18Å; K108-K168 CarbonylContact C-O 3.52Å; K108-K168 WeakPolarHBondContact CA-O 3.16Å; K108-K168 WeakPolarHBondContact CG-O 3.25Å
109I96.1Very high94.8Very high17 Ų1749.8 Ų49.89%0.08726%0.256CS..  trans-131.2111.5-179-60.8-62.5000108.9M107 S111 L114 L115 W163 K168 A170M107-I109 HydrophobicContact CG-CD1 4.01Å; M107-I109 HydrophobicContact CG-CG1 3.85Å; M107-I109 HydrophobicContact SD-CD1 4.06Å; M107-I109 HydrophobicContact SD-CG1 4.4Å; I109-S111 VanDerWaalsContact C-N 3.34Å; I109-S111 WeakPolarHBondContact CG2-O 3.29Å; I109-S111 PolarHBondContact O-N 3.19Å; I109-L114 HydrophobicContact CG2-CB 4.08Å; I109-L115 HydrophobicContact CB-CD2 4.41Å; I109-L115 HydrophobicContact CG1-CD2 4.38Å; I109-L115 HydrophobicContact CG2-CD2 3.87Å; I109-L115 HydrophobicContact CG2-CG 4.13Å; I109-W163 PolarHBondContact O-NE1 3.41Å; I109-K168 PolarHBondContact N-O 3.36Å; I109-K168 CarbonylContact O-C 3.58Å; I109-K168 VanDerWaalsContact O-C 3.31Å; I109-K168 WeakPolarHBondContact O-CA 3.4Å; I109-A170 HydrophobicContact CB-CB 4.17Å; I109-A170 HydrophobicContact CG1-CB 3.54Å
110E94.6Very high95.5Very high85 Ų8552.1 Ų52.140%0.39725%0.254SS..SBendtrans-72.8-23.8-174.3-64.9-68.8150.600113.7K108 L114 K168K108-E110 WeakPolarHBondContact CE-OE1 3.25Å; K108-E110 IonicContact NZ-OE1 2.69Å; K108-E110 PolarHBondContact NZ-OE1 3.18Å; E110-L114 HydrophobicContact CB-CD1 4.37Å; E110-K168 VanDerWaalsContact OE2-CD 3.23Å; E110-K168 WeakPolarHBondContact OE2-CD 3.26Å; E110-K168 VanDerWaalsContact OE2-CE 3.28Å; E110-K168 WeakPolarHBondContact OE2-CE 3.14Å; E110-K168 IonicContact OE2-NZ 2.84Å; E110-K168 PolarHBondContact OE2-NZ 3.29Å
111S91.9Very high95.7Very high23 Ų2350.7 Ų50.716%0.16125%0.246CC..SBendtrans-152.8147.2-171.2-178.10000110I109 R113 L114I109-S111 VanDerWaalsContact C-N 3.34Å; I109-S111 WeakPolarHBondContact CG2-O 3.29Å; I109-S111 PolarHBondContact O-N 3.19Å; S111-R113 PolarHBondContact O-N 2.85Å; S111-R113 VanDerWaalsContact O-N 3.11Å; S111-L114 PolarHBondContact O-N 2.96Å
112P87Confident95.9Very high69 Ų6950.4 Ų50.445%0.44824%0.244SC..G310 helixtrans-63.5-22.9-179.326-31.3000112.3L114 L115 W163P112-L114 PolarHBondContact O-N 2.88Å; P112-L115 HydrophobicContact CB-CD1 4.09Å; P112-L115 WeakPolarHBondContact O-CB 3.2Å; P112-L115 WeakPolarHBondContact O-CD1 3.34Å; P112-L115 WeakPolarHBondContact O-CG 3.28Å; P112-L115 PolarHBondContact O-N 3.37Å; P112-W163 HydrophobicContact CB-CE3 3.9Å; P112-W163 HydrophobicContact CB-CH2 4.24Å; P112-W163 HydrophobicContact CB-CZ3 3.68Å; P112-W163 HydrophobicContact CG-CH2 4.06Å; P112-W163 HydrophobicContact CG-CZ3 3.8Å
113R89.3Confident96Very high220 Ų22054.3 Ų54.383%0.8326%0.258SS*.G310 helixtrans-66.4-18.2174.5-66-169.6-65.4-92.11.3114.1S111S111-R113 PolarHBondContact O-N 2.85Å; S111-R113 VanDerWaalsContact O-N 3.11Å
114L93.6Very high96Very high111 Ų11158 Ų5858%0.58128%0.277SS*.G310 helixtrans-98.53.1179-61.7176000112I109 E110 S111 P112I109-L114 HydrophobicContact CG2-CB 4.08Å; E110-L114 HydrophobicContact CB-CD1 4.37Å; S111-L114 PolarHBondContact O-N 2.96Å; P112-L114 PolarHBondContact O-N 2.88Å
115L95.4Very high96Very high30 Ų3058 Ų5816%0.15728%0.277CS..PPolyproline II helixtrans-60.5135.1179.1-75168.2000110.6I109 P112 T117 W163 A170I109-L115 HydrophobicContact CB-CD2 4.41Å; I109-L115 HydrophobicContact CG1-CD2 4.38Å; I109-L115 HydrophobicContact CG2-CD2 3.87Å; I109-L115 HydrophobicContact CG2-CG 4.13Å; P112-L115 HydrophobicContact CB-CD1 4.09Å; P112-L115 WeakPolarHBondContact O-CB 3.2Å; P112-L115 WeakPolarHBondContact O-CD1 3.34Å; P112-L115 WeakPolarHBondContact O-CG 3.28Å; P112-L115 PolarHBondContact O-N 3.37Å; L115-T117 PolarHBondContact O-N 2.98Å; L115-W163 HydrophobicContact CD1-CB 4.12Å; L115-W163 HydrophobicContact CD1-CG 4.33Å; L115-W163 HydrophobicContact CD2-CB 3.67Å; L115-W163 HydrophobicContact CD2-CG 3.74Å; L115-W163 HydrophobicContact CG-CB 4.48Å; L115-W163 HydrophobicContact CG-CG 4.41Å; L115-A170 HydrophobicContact CD2-CB 3.7Å
116P95.9Very high96Very high10 Ų1057.8 Ų57.87%0.06528%0.275CS..PPolyproline II helixtrans-67.5131.2-176.130.3-38.7000110.3F49 M107 Q120 I121 R161F49-P116 WeakPolarHBondContact CD2-O 3.25Å; F49-P116 WeakPolarHBondContact CE2-O 3.45Å; M107-P116 HydrophobicContact CE-CG 4.17Å; M107-P116 HydrophobicContact SD-CB 4.19Å; M107-P116 HydrophobicContact SD-CG 3.61Å; P116-Q120 HydrophobicContact CB-CB 4.24Å; P116-I121 HydrophobicContact CB-CD1 3.8Å; P116-I121 HydrophobicContact CB-CG1 4.05Å; P116-I121 HydrophobicContact CG-CD1 3.71Å; P116-I121 HydrophobicContact CG-CG1 4.11Å; P116-R161 WeakPolarHBondContact O-CD 3.33Å; P116-R161 PolarHBondContact O-NH1 3Å
117T96.5Very high95.9Very high49 Ų4960.9 Ų60.930%0.30129%0.289SS..PPolyproline II helixtrans-58.7159.4166.857.40000110.7L115 E119 Q120 I121L115-T117 PolarHBondContact O-N 2.98Å; T117-E119 PolarHBondContact O-N 3.14Å; T117-Q120 PolarHBondContact O-N 3.23Å; T117-Q120 VanDerWaalsContact O-N 3.14Å; T117-Q120 WeakPolarHBondContact OG1-CB 3.44Å; T117-Q120 VanDerWaalsContact OG1-CG 3.25Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.4Å; T117-Q120 PolarHBondContact OG1-N 2.94Å; T117-Q120 VanDerWaalsContact OG1-N 3.17Å; T117-Q120 PolarHBondContact OG1-OE1 3.38Å; T117-I121 PolarHBondContact O-N 3.17Å
118G97.5Very high96Very high0 Ų060.3 Ų60.30%029%0.285CS..Hα-helixtrans-55.5-42.7174.400000111.2F49 Q120 I121 S122F49-G118 VanDerWaalsContact CD2-N 3.28Å; G118-Q120 PolarHBondContact O-N 2.94Å; G118-I121 WeakPolarHBondContact O-CB 3.45Å; G118-I121 PolarHBondContact O-N 2.76Å; G118-I121 VanDerWaalsContact O-N 3.11Å; G118-S122 PolarHBondContact O-N 3.09Å; G118-S122 PolarHBondContact O-OG 3.47Å
119E97.9Very high95.9Very high63 Ų6353.2 Ų53.229%0.29426%0.256SS..Hα-helixtrans-61.8-38.3177.7-163.8-169.5-158.900113.7A56 R59 T117 I121 S122 R123A56-E119 HydrophobicContact CB-CB 3.94Å; A56-E119 HydrophobicContact CB-CG 3.68Å; R59-E119 IonicContact NH2-OE1 3.9Å; R59-E119 PolarHBondContact NH2-OE1 3.31Å; T117-E119 PolarHBondContact O-N 3.14Å; E119-I121 VanDerWaalsContact C-N 3.33Å; E119-S122 PolarHBondContact O-N 3.14Å; E119-R123 VanDerWaalsContact CG-NH2 3.31Å; E119-R123 WeakPolarHBondContact O-CB 3.45Å; E119-R123 WeakPolarHBondContact O-CG 3.27Å; E119-R123 PolarHBondContact O-N 3.48Å; E119-R123 PolarHBondContact O-NE 2.87Å; E119-R123 IonicContact OE1-CZ 3.12Å; E119-R123 IonicContact OE1-NH1 3.2Å; E119-R123 PolarHBondContact OE1-NH1 3.14Å; E119-R123 IonicContact OE2-CZ 3.03Å; E119-R123 IonicContact OE2-NH1 2.75Å; E119-R123 PolarHBondContact OE2-NH1 2.93Å; E119-R123 IonicContact OE2-NH2 2.68Å; E119-R123 PolarHBondContact OE2-NH2 2.97Å
120Q98.4Very high95.8Very high99 Ų9958.5 Ų58.546%0.46329%0.285SS..Hα-helixtrans-63.3-39.1174.2-78.5166.8-46.700112P116 T117 G118 L124P116-Q120 HydrophobicContact CB-CB 4.24Å; T117-Q120 PolarHBondContact O-N 3.23Å; T117-Q120 VanDerWaalsContact O-N 3.14Å; T117-Q120 WeakPolarHBondContact OG1-CB 3.44Å; T117-Q120 VanDerWaalsContact OG1-CG 3.25Å; T117-Q120 WeakPolarHBondContact OG1-CG 3.4Å; T117-Q120 PolarHBondContact OG1-N 2.94Å; T117-Q120 VanDerWaalsContact OG1-N 3.17Å; T117-Q120 PolarHBondContact OG1-OE1 3.38Å; G118-Q120 PolarHBondContact O-N 2.94Å; Q120-L124 WeakPolarHBondContact O-CB 3.32Å; Q120-L124 PolarHBondContact O-N 3.11Å
121I98.8Very high95.8Very high2 Ų260.7 Ų60.71%0.0130%0.298CS..Hα-helixtrans-67.5-47.2175.4-61.9-61.6000111.3F49 F53 A105 M107 P116 T117 G118 E119 R123 L124 W125 V172F49-I121 HydrophobicContact CE2-CG1 4.12Å; F49-I121 HydrophobicContact CZ-CG1 4.44Å; F53-I121 HydrophobicContact CD2-CG2 4.44Å; F53-I121 HydrophobicContact CE2-CG2 4.13Å; A105-I121 HydrophobicContact CB-CD1 4.41Å; M107-I121 HydrophobicContact CE-CD1 3.52Å; P116-I121 HydrophobicContact CB-CD1 3.8Å; P116-I121 HydrophobicContact CB-CG1 4.05Å; P116-I121 HydrophobicContact CG-CD1 3.71Å; P116-I121 HydrophobicContact CG-CG1 4.11Å; T117-I121 PolarHBondContact O-N 3.17Å; G118-I121 WeakPolarHBondContact O-CB 3.45Å; G118-I121 PolarHBondContact O-N 2.76Å; G118-I121 VanDerWaalsContact O-N 3.11Å; E119-I121 VanDerWaalsContact C-N 3.33Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 3.08Å; I121-L124 WeakPolarHBondContact O-CB 3.39Å; I121-L124 PolarHBondContact O-N 3.45Å; I121-L124 VanDerWaalsContact O-N 3.14Å; I121-W125 HydrophobicContact CG2-CD2 3.91Å; I121-W125 HydrophobicContact CG2-CE3 3.98Å; I121-W125 HydrophobicContact CG2-CH2 3.64Å; I121-W125 HydrophobicContact CG2-CZ2 3.58Å; I121-W125 HydrophobicContact CG2-CZ3 3.86Å; I121-W125 PolarHBondContact O-N 3.01Å; I121-V172 HydrophobicContact CD1-CB 4.31Å; I121-V172 HydrophobicContact CD1-CG2 3.83Å; I121-V172 HydrophobicContact CG1-CB 4.46Å; I121-V172 HydrophobicContact CG1-CG1 4.26Å; I121-V172 HydrophobicContact CG1-CG2 4Å; I121-V172 HydrophobicContact CG2-CG1 4.01Å
122S98.7Very high95.9Very high0 Ų060.3 Ų60.30%029%0.293CS..Hα-helixtrans-58-42.6178.3-49.40000111.4F53 A56 H57 G118 E119 A126F53-S122 PolarHBondContact O-OG 3.46Å; A56-S122 WeakPolarHBondContact CB-OG 3.41Å; H57-S122 PolarHBondContact CE1-OG 2.96Å; H57-S122 VanDerWaalsContact CE1-OG 3.31Å; H57-S122 WeakPolarHBondContact ND1-CB 3.4Å; H57-S122 PolarHBondContact ND1-OG 3.25Å; G118-S122 PolarHBondContact O-N 3.09Å; G118-S122 PolarHBondContact O-OG 3.47Å; E119-S122 PolarHBondContact O-N 3.14Å; S122-A126 VanDerWaalsContact O-CB 3.28Å; S122-A126 WeakPolarHBondContact O-CB 3.25Å; S122-A126 PolarHBondContact O-N 3.06Å
123R98.2Very high96.2Very high101 Ų10161 Ų6138%0.38129%0.293SS..Hα-helixtrans-66.8-41.3175-77.1-174.3-68.6-118.5-9.9113E119 I121 W125 A126 Q127E119-R123 VanDerWaalsContact CG-NH2 3.31Å; E119-R123 WeakPolarHBondContact O-CB 3.45Å; E119-R123 WeakPolarHBondContact O-CG 3.27Å; E119-R123 PolarHBondContact O-N 3.48Å; E119-R123 PolarHBondContact O-NE 2.87Å; E119-R123 IonicContact OE1-CZ 3.12Å; E119-R123 IonicContact OE1-NH1 3.2Å; E119-R123 PolarHBondContact OE1-NH1 3.14Å; E119-R123 IonicContact OE2-CZ 3.03Å; E119-R123 IonicContact OE2-NH1 2.75Å; E119-R123 PolarHBondContact OE2-NH1 2.93Å; E119-R123 IonicContact OE2-NH2 2.68Å; E119-R123 PolarHBondContact OE2-NH2 2.97Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 3.08Å; R123-W125 VanDerWaalsContact C-N 3.33Å; R123-W125 PolarHBondContact O-N 3.04Å; R123-A126 PolarHBondContact O-N 3.3Å; R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3.34Å; R123-Q127 PolarHBondContact O-N 3.5Å
124L98.3Very high96.3Very high78 Ų7852 Ų5241%0.40826%0.26SS..Hα-helixtrans-55.5-50.1176.7174.465.7000110.5A105 M107 Q120 I121 Q127A105-L124 HydrophobicContact CB-CD2 4.44Å; M107-L124 HydrophobicContact CE-CD2 4.46Å; Q120-L124 WeakPolarHBondContact O-CB 3.32Å; Q120-L124 PolarHBondContact O-N 3.11Å; I121-L124 WeakPolarHBondContact O-CB 3.39Å; I121-L124 PolarHBondContact O-N 3.45Å; I121-L124 VanDerWaalsContact O-N 3.14Å; L124-Q127 PolarHBondContact O-N 3.2Å
125W98.7Very high96.1Very high3 Ų354.4 Ų54.41%0.01127%0.274CS..Hα-helixtrans-66.8-39176.9-64.1-27.7000112.3F53 H57 N103 A105 I121 R123 Q127 E128 N145 F146 L149 V172 A174 Y176F53-W125 HydrophobicContact CE2-CE3 4.34Å; F53-W125 AromaticContact CE2-CH2 3.93Å; F53-W125 HydrophobicContact CE2-CH2 3.93Å; F53-W125 AromaticContact CE2-CZ3 3.46Å; F53-W125 HydrophobicContact CE2-CZ3 3.46Å; F53-W125 VanDerWaalsContact CE2-CZ3 3.46Å; F53-W125 HydrophobicContact CZ-CH2 4.27Å; F53-W125 AromaticContact CZ-CZ3 3.65Å; F53-W125 HydrophobicContact CZ-CZ3 3.65Å; H57-W125 AromaticContact CE1-CE3 3.64Å; H57-W125 AromaticContact CE1-CZ3 3.71Å; H57-W125 AromaticContact NE2-CE3 3.78Å; H57-W125 AromaticContact NE2-CZ3 3.73Å; N103-W125 HydrophobicContact CB-CD2 4.06Å; N103-W125 HydrophobicContact CB-CE3 4.02Å; N103-W125 HydrophobicContact CB-CH2 3.48Å; N103-W125 VanDerWaalsContact CB-CH2 3.48Å; N103-W125 HydrophobicContact CB-CZ2 3.5Å; N103-W125 VanDerWaalsContact CB-CZ2 3.5Å; N103-W125 HydrophobicContact CB-CZ3 3.72Å; N103-W125 VanDerWaalsContact ND2-CE3 3.34Å; A105-W125 HydrophobicContact CB-CZ2 4.48Å; I121-W125 HydrophobicContact CG2-CD2 3.91Å; I121-W125 HydrophobicContact CG2-CE3 3.98Å; I121-W125 HydrophobicContact CG2-CH2 3.64Å; I121-W125 HydrophobicContact CG2-CZ2 3.58Å; I121-W125 HydrophobicContact CG2-CZ3 3.86Å; I121-W125 PolarHBondContact O-N 3.01Å; R123-W125 VanDerWaalsContact C-N 3.33Å; R123-W125 PolarHBondContact O-N 3.04Å; W125-Q127 PolarHBondContact O-N 2.95Å; W125-E128 WeakPolarHBondContact O-CG 3.35Å; W125-E128 PolarHBondContact O-N 3.38Å; W125-N145 HydrophobicContact CB-CB 3.71Å; W125-N145 VanDerWaalsContact CD1-CB 3.4Å; W125-N145 HydrophobicContact CD2-CB 4.16Å; W125-N145 HydrophobicContact CG-CB 3.51Å; W125-F146 WeakPolarHBondContact O-CB 3.35Å; W125-L149 HydrophobicContact CB-CD1 4.11Å; W125-V172 HydrophobicContact CH2-CG1 4.39Å; W125-A174 HydrophobicContact CH2-CB 3.66Å; W125-A174 HydrophobicContact CZ3-CB 3.86Å; W125-Y176 VanDerWaalsContact CZ3-OH 3.29Å; W125-Y176 WeakPolarHBondContact CZ3-OH 3.35Å
126A97.5Very high95.9Very high5 Ų557.2 Ų57.24%0.04129%0.289CS..Hα-helixtrans-68-20178.300000114.5I60 S122 R123 E128 A129I60-A126 HydrophobicContact CD1-CB 3.82Å; I60-A126 HydrophobicContact CG1-CB 4.32Å; I60-A126 HydrophobicContact CG2-CB 3.92Å; S122-A126 VanDerWaalsContact O-CB 3.28Å; S122-A126 WeakPolarHBondContact O-CB 3.25Å; S122-A126 PolarHBondContact O-N 3.06Å; R123-A126 PolarHBondContact O-N 3.3Å; A126-E128 PolarHBondContact O-N 2.9Å; A126-A129 WeakPolarHBondContact O-CB 3.46Å; A126-A129 PolarHBondContact O-N 3Å
127Q97.3Very high95.7Very high112 Ų11257.4 Ų57.452%0.52329%0.29SS..G310 helixtrans-69.1-21.8176.2-78.7168.87.300112.8R123 L124 W125 A129 N130R123-Q127 VanDerWaalsContact O-CG 3.27Å; R123-Q127 WeakPolarHBondContact O-CG 3.34Å; R123-Q127 PolarHBondContact O-N 3.5Å; L124-Q127 PolarHBondContact O-N 3.2Å; W125-Q127 PolarHBondContact O-N 2.95Å; Q127-A129 PolarHBondContact O-N 3.43Å; Q127-A129 VanDerWaalsContact O-N 3.14Å; Q127-N130 WeakPolarHBondContact O-CB 3.34Å; Q127-N130 PolarHBondContact O-N 3.01Å; Q127-N130 PolarHBondContact O-ND2 2.92Å; Q127-N130 VanDerWaalsContact O-ND2 3.09Å
128E97.2Very high95.5Very high33 Ų3356.9 Ų56.915%0.15429%0.288CS..G310 helixtrans-61.8-21.2174.7-56.6173.2176.600111.9W125 A126 N130 L131 Y132 E142 C143 N145 F146W125-E128 WeakPolarHBondContact O-CG 3.35Å; W125-E128 PolarHBondContact O-N 3.38Å; A126-E128 PolarHBondContact O-N 2.9Å; E128-N130 PolarHBondContact O-N 3.27Å; E128-L131 PolarHBondContact O-N 2.67Å; E128-Y132 PolarHBondContact O-N 2.71Å; E128-E142 WeakPolarHBondContact CB-O 3.41Å; E128-E142 VanDerWaalsContact CD-O 3.24Å; E128-E142 VanDerWaalsContact CG-O 3.26Å; E128-E142 WeakPolarHBondContact CG-O 3.5Å; E128-C143 HydrophobicContact CB-CB 4.38Å; E128-C143 PolarHBondContact O-SG 3.46Å; E128-C143 VanDerWaalsContact O-SG 3.37Å; E128-C143 VanDerWaalsContact OE2-CA 3.23Å; E128-C143 WeakPolarHBondContact OE2-CA 3.43Å; E128-N145 WeakPolarHBondContact OE1-CB 3.29Å; E128-N145 PolarHBondContact OE1-ND2 3.09Å; E128-N145 WeakPolarHBondContact OE2-CA 3.32Å; E128-N145 WeakPolarHBondContact OE2-CB 3.45Å; E128-N145 PolarHBondContact OE2-N 3.44Å; E128-F146 HydrophobicContact CB-CB 3.76Å; E128-F146 PolarHBondContact OE2-N 3.28Å
129A95Very high95.3Very high7 Ų763 Ų636%0.05831%0.312CS..G310 helixtrans-53.8-25.2171.800000113.8Y64 A126 Q127 L131 Y132 F134 F146Y64-A129 VanDerWaalsContact OH-CB 3.27Å; Y64-A129 WeakPolarHBondContact OH-CB 3.32Å; A126-A129 WeakPolarHBondContact O-CB 3.46Å; A126-A129 PolarHBondContact O-N 3Å; Q127-A129 PolarHBondContact O-N 3.43Å; Q127-A129 VanDerWaalsContact O-N 3.14Å; A129-L131 PolarHBondContact O-N 3.42Å; A129-Y132 PolarHBondContact O-N 3.04Å; A129-F134 HydrophobicContact CB-CZ 4.3Å; A129-F134 WeakPolarHBondContact O-CE2 3.42Å; A129-F146 HydrophobicContact CB-CD1 4.13Å; A129-F146 HydrophobicContact CB-CD2 3.74Å; A129-F146 HydrophobicContact CB-CE1 3.97Å; A129-F146 HydrophobicContact CB-CE2 3.56Å; A129-F146 HydrophobicContact CB-CG 4.02Å; A129-F146 HydrophobicContact CB-CZ 3.69Å
130N94Very high95.1Very high129 Ų12962.1 Ų62.169%0.6931%0.31SS*.G310 helixtrans-68.8-20.8177-63.5-38.3000112.9Q127 E128Q127-N130 WeakPolarHBondContact O-CB 3.34Å; Q127-N130 PolarHBondContact O-N 3.01Å; Q127-N130 PolarHBondContact O-ND2 2.92Å; Q127-N130 VanDerWaalsContact O-ND2 3.09Å; E128-N130 PolarHBondContact O-N 3.27Å
131L94.6Very high94.8Very high131 Ų13163.6 Ų63.669%0.68632%0.317SS*.THydrogen-bonded Turntrans-101.6-8178.5-58.5176.2000112.3E128 A129 E142E128-L131 PolarHBondContact O-N 2.67Å; A129-L131 PolarHBondContact O-N 3.42Å; L131-E142 HydrophobicContact CD1-CB 4.47Å
132Y94Very high94.6Very high15 Ų1569.4 Ų69.46%0.05934%0.344CS..  trans-81.7129.8-173.2-164.9-104.6000112.5E128 A129 F134 P137 S138 C143 F146 T147 F188 I192E128-Y132 PolarHBondContact O-N 2.71Å; A129-Y132 PolarHBondContact O-N 3.04Å; Y132-F134 AromaticContact CD1-CD1 3.97Å; Y132-F134 HydrophobicContact CD1-CD1 3.97Å; Y132-F134 HydrophobicContact CD1-CD2 4.19Å; Y132-F134 AromaticContact CD1-CE1 3.98Å; Y132-F134 HydrophobicContact CD1-CE1 3.98Å; Y132-F134 HydrophobicContact CD1-CE2 4.2Å; Y132-F134 HydrophobicContact CD1-CG 4.07Å; Y132-F134 HydrophobicContact CD1-CZ 4.09Å; Y132-F134 HydrophobicContact CE1-CD1 4.45Å; Y132-F134 VanDerWaalsContact O-CD2 3.24Å; Y132-F134 WeakPolarHBondContact O-CD2 3.43Å; Y132-F134 PolarHBondContact O-N 3.46Å; Y132-P137 HydrophobicContact CE1-CB 4.3Å; Y132-P137 VanDerWaalsContact OH-CA 3.3Å; Y132-P137 WeakPolarHBondContact OH-CA 3.31Å; Y132-S138 VanDerWaalsContact CE2-O 3.22Å; Y132-S138 WeakPolarHBondContact CE2-O 3.18Å; Y132-S138 PolarHBondContact OH-N 3Å; Y132-S138 PolarHBondContact OH-O 3.17Å; Y132-C143 HydrophobicContact CD2-CB 3.55Å; Y132-C143 HydrophobicContact CE2-CB 4.28Å; Y132-C143 HydrophobicContact CG-CB 4.45Å; Y132-F146 HydrophobicContact CD1-CE1 4.09Å; Y132-F146 HydrophobicContact CG-CD1 4.22Å; Y132-F146 HydrophobicContact CG-CE1 4.04Å; Y132-T147 HydrophobicContact CD2-CG2 3.9Å; Y132-T147 HydrophobicContact CE2-CG2 3.37Å; Y132-F188 WeakPolarHBondContact OH-CD1 3.46Å; Y132-I192 HydrophobicContact CD1-CG2 4.37Å; Y132-I192 HydrophobicContact CE1-CB 4.49Å; Y132-I192 HydrophobicContact CE1-CG2 3.68Å
133D92.9Very high94.4Very high84 Ų8469.4 Ų69.445%0.44935%0.345SS..  trans-81.297.7172-173.6-11.2000110.4D135 N136D133-D135 VanDerWaalsContact C-N 3.3Å; D133-D135 WeakPolarHBondContact OD1-CB 3.26Å; D133-D135 PolarHBondContact OD1-N 2.89Å; D133-N136 CarbonylContact O-C 3.49Å; D133-N136 VanDerWaalsContact O-C 3.29Å; D133-N136 PolarHBondContact OD1-N 3.33Å
134F91.5Very high94.3Very high30 Ų3065.7 Ų65.713%0.13233%0.332CS..SBendtrans-73.3-20177.9-68.4-88.2000113.5Y64 A129 Y132 P137 F146 I192 R195Y64-F134 AromaticContact CE1-CE1 4Å; Y64-F134 HydrophobicContact CE1-CE1 4Å; Y64-F134 HydrophobicContact CE1-CZ 4.01Å; A129-F134 HydrophobicContact CB-CZ 4.3Å; A129-F134 WeakPolarHBondContact O-CE2 3.42Å; Y132-F134 AromaticContact CD1-CD1 3.97Å; Y132-F134 HydrophobicContact CD1-CD1 3.97Å; Y132-F134 HydrophobicContact CD1-CD2 4.19Å; Y132-F134 AromaticContact CD1-CE1 3.98Å; Y132-F134 HydrophobicContact CD1-CE1 3.98Å; Y132-F134 HydrophobicContact CD1-CE2 4.2Å; Y132-F134 HydrophobicContact CD1-CG 4.07Å; Y132-F134 HydrophobicContact CD1-CZ 4.09Å; Y132-F134 HydrophobicContact CE1-CD1 4.45Å; Y132-F134 VanDerWaalsContact O-CD2 3.24Å; Y132-F134 WeakPolarHBondContact O-CD2 3.43Å; Y132-F134 PolarHBondContact O-N 3.46Å; F134-P137 WeakPolarHBondContact O-CD 3.25Å; F134-P137 WeakPolarHBondContact O-CG 3.46Å; F134-F146 HydrophobicContact CE1-CE1 4.07Å; F134-F146 AromaticContact CE1-CZ 3.95Å; F134-F146 HydrophobicContact CE1-CZ 3.95Å; F134-F146 AromaticContact CZ-CE1 3.86Å; F134-F146 HydrophobicContact CZ-CE1 3.86Å; F134-F146 AromaticContact CZ-CZ 3.78Å; F134-F146 HydrophobicContact CZ-CZ 3.78Å; F134-I192 HydrophobicContact CE1-CG2 4.42Å; F134-R195 HydrophobicContact CD1-CB 4.48Å; F134-R195 HydrophobicContact CD2-CB 4.45Å; F134-R195 HydrophobicContact CG-CB 4.28Å
135D90.7Very high94.3Very high162 Ų16262.6 Ų62.687%0.86632%0.315SS*.SBendtrans-80.5-29.7178.8-65.2-37.8000110.5D133D133-D135 VanDerWaalsContact C-N 3.3Å; D133-D135 WeakPolarHBondContact OD1-CB 3.26Å; D133-D135 PolarHBondContact OD1-N 2.89Å
136N90.7Very high94.2Very high89 Ų8962.5 Ų62.548%0.47632%0.315SS..SBendtrans-124.870.2172.4-16931.3000113.3D133 S138D133-N136 CarbonylContact O-C 3.49Å; D133-N136 VanDerWaalsContact O-C 3.29Å; D133-N136 PolarHBondContact OD1-N 3.33Å; N136-S138 PolarHBondContact O-N 3.18Å; N136-S138 VanDerWaalsContact O-N 3.14Å; N136-S138 PolarHBondContact O-OG 2.85Å
137P91.4Very high94.2Very high14 Ų1462.2 Ų62.29%0.09131%0.313CS..  trans-58.4119.2-177-24.534.5000112.3Y132 F134 T185 F188 K189Y132-P137 HydrophobicContact CE1-CB 4.3Å; Y132-P137 VanDerWaalsContact OH-CA 3.3Å; Y132-P137 WeakPolarHBondContact OH-CA 3.31Å; F134-P137 WeakPolarHBondContact O-CD 3.25Å; F134-P137 WeakPolarHBondContact O-CG 3.46Å; P137-T185 WeakPolarHBondContact O-CG2 3.33Å; P137-F188 HydrophobicContact CB-CB 3.94Å; P137-F188 WeakPolarHBondContact O-CB 3.27Å; P137-K189 HydrophobicContact CB-CG 4.48Å; P137-K189 HydrophobicContact CG-CG 4.39Å
138S92.2Very high94.2Very high37 Ų3757 Ų5726%0.25929%0.288SS..  trans-149.8171.5178.8540000110.5Y132 N136 F188Y132-S138 VanDerWaalsContact CE2-O 3.22Å; Y132-S138 WeakPolarHBondContact CE2-O 3.18Å; Y132-S138 PolarHBondContact OH-N 3Å; Y132-S138 PolarHBondContact OH-O 3.17Å; N136-S138 PolarHBondContact O-N 3.18Å; N136-S138 VanDerWaalsContact O-N 3.14Å; N136-S138 PolarHBondContact O-OG 2.85Å; S138-F188 WeakPolarHBondContact O-CD1 3.39Å; S138-F188 WeakPolarHBondContact O-CE1 3.48Å
139W92.9Very high94.2Very high130 Ų13055.4 Ų55.449%0.49228%0.281SS..  trans-76.5134.5171.9-175.784.3000110E141 F188W139-E141 HydrophobicContact CH2-CB 3.85Å; W139-E141 HydrophobicContact CZ2-CB 4.37Å; W139-E141 HydrophobicContact CZ3-CB 4.42Å; W139-F188 VanDerWaalsContact CA-CZ 3.43Å; W139-F188 HydrophobicContact CB-CE1 4.22Å; W139-F188 HydrophobicContact CB-CE2 3.72Å; W139-F188 HydrophobicContact CB-CZ 3.39Å; W139-F188 AromaticContact CD1-CZ 3.94Å; W139-F188 HydrophobicContact CG-CZ 4.09Å
140T93.3Very high94.3Very high44 Ų4455.1 Ų55.127%0.2728%0.278SS..  trans-137.5149166.564.50000108.9E142 C143 Q144T140-E142 WeakPolarHBondContact CB-OE2 3.47Å; T140-E142 PolarHBondContact O-N 3.35Å; T140-C143 PolarHBondContact O-N 2.83Å; T140-C143 VanDerWaalsContact OG1-CB 3.29Å; T140-C143 WeakPolarHBondContact OG1-CB 3.27Å; T140-C143 PolarHBondContact OG1-N 3.01Å; T140-Q144 PolarHBondContact O-N 3.41Å
141E92.7Very high94.5Very high129 Ų12949.4 Ų49.460%0.60325%0.247SC*.G310 helixtrans-64.5-35.3179.9-173.5175.3178.900111.1W139 C143 Q144W139-E141 HydrophobicContact CH2-CB 3.85Å; W139-E141 HydrophobicContact CZ2-CB 4.37Å; W139-E141 HydrophobicContact CZ3-CB 4.42Å; E141-C143 VanDerWaalsContact C-N 3.27Å; E141-C143 PolarHBondContact O-N 2.85Å; E141-Q144 WeakPolarHBondContact O-CG 3.38Å; E141-Q144 PolarHBondContact O-NE2 3.14Å; E141-Q144 VanDerWaalsContact O-NE2 3.09Å
142E94.5Very high94.6Very high124 Ų12446.5 Ų46.558%0.57923%0.229SC*.G310 helixtrans-72-18.1-177.5-58.484.5172.100113.6E128 L131 T140E128-E142 WeakPolarHBondContact CB-O 3.41Å; E128-E142 VanDerWaalsContact CD-O 3.24Å; E128-E142 VanDerWaalsContact CG-O 3.26Å; E128-E142 WeakPolarHBondContact CG-O 3.5Å; L131-E142 HydrophobicContact CD1-CB 4.47Å; T140-E142 WeakPolarHBondContact CB-OE2 3.47Å; T140-E142 PolarHBondContact O-N 3.35Å
143C95.5Very high94.6Very high1 Ų147.5 Ų47.51%0.00724%0.241CC..G310 helixtrans-1226-176.7-590000114.3E128 Y132 T140 E141 N145 F146 T147E128-C143 HydrophobicContact CB-CB 4.38Å; E128-C143 PolarHBondContact O-SG 3.46Å; E128-C143 VanDerWaalsContact O-SG 3.37Å; E128-C143 VanDerWaalsContact OE2-CA 3.23Å; E128-C143 WeakPolarHBondContact OE2-CA 3.43Å; Y132-C143 HydrophobicContact CD2-CB 3.55Å; Y132-C143 HydrophobicContact CE2-CB 4.28Å; Y132-C143 HydrophobicContact CG-CB 4.45Å; T140-C143 PolarHBondContact O-N 2.83Å; T140-C143 VanDerWaalsContact OG1-CB 3.29Å; T140-C143 WeakPolarHBondContact OG1-CB 3.27Å; T140-C143 PolarHBondContact OG1-N 3.01Å; E141-C143 VanDerWaalsContact C-N 3.27Å; E141-C143 PolarHBondContact O-N 2.85Å; C143-N145 PolarHBondContact O-N 3.09Å; C143-F146 PolarHBondContact O-N 3.16Å; C143-T147 HydrophobicContact CB-CG2 4.49Å; C143-T147 WeakPolarHBondContact O-CG2 3.48Å; C143-T147 PolarHBondContact O-N 2.92Å; C143-T147 PolarHBondContact O-OG1 3.32Å; C143-T147 VanDerWaalsContact O-OG1 3.07Å
144Q95.3Very high94.9Very high23 Ų2343.5 Ų43.511%0.10722%0.219CC..Hα-helixtrans-61-31.4-172.970.6-172.5-48.100113.4Y94 T140 E141 T147 Q148 N181Y94-Q144 VanDerWaalsContact OH-CD 3.22Å; Y94-Q144 PolarHBondContact OH-NE2 2.84Å; Y94-Q144 PolarHBondContact OH-OE1 2.71Å; T140-Q144 PolarHBondContact O-N 3.41Å; E141-Q144 WeakPolarHBondContact O-CG 3.38Å; E141-Q144 PolarHBondContact O-NE2 3.14Å; E141-Q144 VanDerWaalsContact O-NE2 3.09Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.26Å; Q144-T147 PolarHBondContact O-OG1 3.3Å; Q144-Q148 WeakPolarHBondContact O-CB 3.34Å; Q144-Q148 PolarHBondContact O-N 2.82Å; Q144-Q148 VanDerWaalsContact O-N 3.14Å; Q144-N181 PolarHBondContact O-ND2 2.67Å
145N97.7Very high95.2Very high13 Ų1347.8 Ų47.87%0.0723%0.234CC..Hα-helixtrans-75.6-42.5179.7-59.4-70.5000110.3N103 W125 E128 C143 L149N103-N145 WeakPolarHBondContact CA-OD1 3.42Å; N103-N145 HydrophobicContact CB-CB 4.43Å; N103-N145 VanDerWaalsContact CB-OD1 3.25Å; N103-N145 WeakPolarHBondContact CB-OD1 3.47Å; N103-N145 VanDerWaalsContact CG-OD1 3.31Å; N103-N145 WeakPolarHBondContact ND2-CA 3.39Å; N103-N145 PolarHBondContact ND2-O 3.13Å; W125-N145 HydrophobicContact CB-CB 3.71Å; W125-N145 VanDerWaalsContact CD1-CB 3.4Å; W125-N145 HydrophobicContact CD2-CB 4.16Å; W125-N145 HydrophobicContact CG-CB 3.51Å; E128-N145 WeakPolarHBondContact OE1-CB 3.29Å; E128-N145 PolarHBondContact OE1-ND2 3.09Å; E128-N145 WeakPolarHBondContact OE2-CA 3.32Å; E128-N145 WeakPolarHBondContact OE2-CB 3.45Å; E128-N145 PolarHBondContact OE2-N 3.44Å; C143-N145 PolarHBondContact O-N 3.09Å; N145-L149 VanDerWaalsContact O-CB 3.25Å; N145-L149 WeakPolarHBondContact O-CB 3.47Å; N145-L149 PolarHBondContact O-N 3.44Å
146F97.6Very high95.5Very high0 Ų042.5 Ų42.50%021%0.205CC..Hα-helixtrans-58.6-52.1173.3164.8-112.4000111.2Y64 W125 E128 A129 Y132 F134 C143 Q148 L149 V150Y64-F146 HydrophobicContact CD1-CZ 4.28Å; Y64-F146 AromaticContact CE1-CE2 3.9Å; Y64-F146 HydrophobicContact CE1-CE2 3.9Å; Y64-F146 AromaticContact CE1-CZ 3.66Å; Y64-F146 HydrophobicContact CE1-CZ 3.66Å; Y64-F146 AromaticContact CE2-CE2 3.93Å; Y64-F146 HydrophobicContact CE2-CE2 3.93Å; Y64-F146 AromaticContact CZ-CE2 3.56Å; Y64-F146 AromaticContact CZ-CZ 3.8Å; W125-F146 WeakPolarHBondContact O-CB 3.35Å; E128-F146 HydrophobicContact CB-CB 3.76Å; E128-F146 PolarHBondContact OE2-N 3.28Å; A129-F146 HydrophobicContact CB-CD1 4.13Å; A129-F146 HydrophobicContact CB-CD2 3.74Å; A129-F146 HydrophobicContact CB-CE1 3.97Å; A129-F146 HydrophobicContact CB-CE2 3.56Å; A129-F146 HydrophobicContact CB-CG 4.02Å; A129-F146 HydrophobicContact CB-CZ 3.69Å; Y132-F146 HydrophobicContact CD1-CE1 4.09Å; Y132-F146 HydrophobicContact CG-CD1 4.22Å; Y132-F146 HydrophobicContact CG-CE1 4.04Å; F134-F146 HydrophobicContact CE1-CE1 4.07Å; F134-F146 AromaticContact CE1-CZ 3.95Å; F134-F146 HydrophobicContact CE1-CZ 3.95Å; F134-F146 AromaticContact CZ-CE1 3.86Å; F134-F146 HydrophobicContact CZ-CE1 3.86Å; F134-F146 AromaticContact CZ-CZ 3.78Å; F134-F146 HydrophobicContact CZ-CZ 3.78Å; C143-F146 PolarHBondContact O-N 3.16Å; F146-Q148 VanDerWaalsContact C-N 3.3Å; F146-Q148 PolarHBondContact O-N 3.03Å; F146-L149 WeakPolarHBondContact O-CB 3.43Å; F146-L149 PolarHBondContact O-N 2.88Å; F146-V150 HydrophobicContact CD2-CG1 3.98Å; F146-V150 HydrophobicContact CD2-CG2 4.32Å; F146-V150 HydrophobicContact CE1-CG2 4.19Å; F146-V150 HydrophobicContact CE2-CB 4.29Å; F146-V150 HydrophobicContact CE2-CG1 3.49Å; F146-V150 VanDerWaalsContact CE2-CG1 3.49Å; F146-V150 HydrophobicContact CE2-CG2 3.82Å; F146-V150 HydrophobicContact CZ-CG1 4.2Å; F146-V150 HydrophobicContact CZ-CG2 3.74Å; F146-V150 WeakPolarHBondContact O-CG2 3.45Å; F146-V150 PolarHBondContact O-N 2.99Å
147T96.7Very high95.9Very high0 Ų038.2 Ų38.20%018%0.182CC..Hα-helixtrans-62.8-38-175.951.50000111.7Y132 C143 Q144 W151 N181 F188 I192Y132-T147 HydrophobicContact CD2-CG2 3.9Å; Y132-T147 HydrophobicContact CE2-CG2 3.37Å; C143-T147 HydrophobicContact CB-CG2 4.49Å; C143-T147 WeakPolarHBondContact O-CG2 3.48Å; C143-T147 PolarHBondContact O-N 2.92Å; C143-T147 PolarHBondContact O-OG1 3.32Å; C143-T147 VanDerWaalsContact O-OG1 3.07Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.26Å; Q144-T147 PolarHBondContact O-OG1 3.3Å; T147-W151 WeakPolarHBondContact O-CA 3.39Å; T147-W151 WeakPolarHBondContact O-CB 3.48Å; T147-W151 PolarHBondContact O-N 3.36Å; T147-N181 VanDerWaalsContact CB-OD1 3.23Å; T147-N181 WeakPolarHBondContact CB-OD1 3.47Å; T147-N181 PolarHBondContact OG1-OD1 2.89Å; T147-F188 HydrophobicContact CG2-CE1 4.14Å; T147-I192 HydrophobicContact CG2-CD1 3.86Å; T147-I192 HydrophobicContact CG2-CG1 4.37Å
148Q97.6Very high96.2Very high2 Ų237.6 Ų37.61%0.00918%0.178CC..Hα-helixtrans-64.8-45171.4178.757.878.900112.1G101 N103 Q144 F146 V150 W151 T154 Y176G101-Q148 VanDerWaalsContact CA-OE1 3.22Å; N103-Q148 VanDerWaalsContact OD1-CB 3.25Å; N103-Q148 WeakPolarHBondContact OD1-CB 3.38Å; N103-Q148 VanDerWaalsContact OD1-CG 3.28Å; N103-Q148 WeakPolarHBondContact OD1-CG 3.25Å; Q144-Q148 WeakPolarHBondContact O-CB 3.34Å; Q144-Q148 PolarHBondContact O-N 2.82Å; Q144-Q148 VanDerWaalsContact O-N 3.14Å; F146-Q148 VanDerWaalsContact C-N 3.3Å; F146-Q148 PolarHBondContact O-N 3.03Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 2.81Å; Q148-W151 WeakPolarHBondContact O-CB 3.39Å; Q148-W151 PolarHBondContact O-N 3.32Å; Q148-T154 PolarHBondContact NE2-OG1 2.86Å; Q148-Y176 HydrophobicContact CG-CD1 4.28Å; Q148-Y176 HydrophobicContact CG-CD2 3.34Å; Q148-Y176 HydrophobicContact CG-CE1 4.4Å; Q148-Y176 HydrophobicContact CG-CE2 3.51Å; Q148-Y176 HydrophobicContact CG-CG 3.75Å
149L98.4Very high96.5Very high0 Ų035.8 Ų35.80%017%0.165CC..Hα-helixtrans-58.1-44.1-179.6-175.7161.5000111I60 R61 W125 N145 F146I60-L149 HydrophobicContact CB-CD2 3.97Å; I60-L149 HydrophobicContact CD1-CD1 4.44Å; I60-L149 HydrophobicContact CG2-CD2 3.44Å; I60-L149 VanDerWaalsContact CG2-CD2 3.44Å; R61-L149 VanDerWaalsContact CD-O 3.31Å; R61-L149 WeakPolarHBondContact CD-O 3.28Å; R61-L149 HydrophobicContact CG-CD2 4.11Å; R61-L149 VanDerWaalsContact CG-O 3.24Å; R61-L149 WeakPolarHBondContact CG-O 3.48Å; R61-L149 PolarHBondContact NH1-O 2.75Å; W125-L149 HydrophobicContact CB-CD1 4.11Å; N145-L149 VanDerWaalsContact O-CB 3.25Å; N145-L149 WeakPolarHBondContact O-CB 3.47Å; N145-L149 PolarHBondContact O-N 3.44Å; F146-L149 WeakPolarHBondContact O-CB 3.43Å; F146-L149 PolarHBondContact O-N 2.88Å
150V97Very high96.7Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-92.41.5-178.6-56.60000114.6I60 Y64 S66 F146 Q148 K152 I192I60-V150 HydrophobicContact CG2-CG1 4.38Å; Y64-V150 HydrophobicContact CD2-CG1 3.87Å; Y64-V150 HydrophobicContact CE2-CG1 4.31Å; Y64-V150 HydrophobicContact CG-CG1 4.13Å; S66-V150 WeakPolarHBondContact CB-O 3.25Å; S66-V150 PolarHBondContact OG-O 2.78Å; F146-V150 HydrophobicContact CD2-CG1 3.98Å; F146-V150 HydrophobicContact CD2-CG2 4.32Å; F146-V150 HydrophobicContact CE1-CG2 4.19Å; F146-V150 HydrophobicContact CE2-CB 4.29Å; F146-V150 HydrophobicContact CE2-CG1 3.49Å; F146-V150 VanDerWaalsContact CE2-CG1 3.49Å; F146-V150 HydrophobicContact CE2-CG2 3.82Å; F146-V150 HydrophobicContact CZ-CG1 4.2Å; F146-V150 HydrophobicContact CZ-CG2 3.74Å; F146-V150 WeakPolarHBondContact O-CG2 3.45Å; F146-V150 PolarHBondContact O-N 2.99Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 2.81Å; V150-K152 PolarHBondContact O-N 2.97Å; V150-K152 VanDerWaalsContact O-N 3.08Å; V150-I192 HydrophobicContact CG2-CD1 4.03Å
151W97.3Very high96.8Very high9 Ų928.8 Ų28.83%0.03414%0.135CC..  trans-56.2115.4-175.5-162.2-101.2000112R61 T147 Q148 A153 T154 G180 F188 N191 I192R61-W151 PolarHBondContact NH1-O 3.24Å; R61-W151 PolarHBondContact NH2-O 2.85Å; T147-W151 WeakPolarHBondContact O-CA 3.39Å; T147-W151 WeakPolarHBondContact O-CB 3.48Å; T147-W151 PolarHBondContact O-N 3.36Å; Q148-W151 WeakPolarHBondContact O-CB 3.39Å; Q148-W151 PolarHBondContact O-N 3.32Å; W151-A153 VanDerWaalsContact C-N 3.31Å; W151-A153 PolarHBondContact O-N 3.08Å; W151-T154 PolarHBondContact O-N 3.18Å; W151-G180 VanDerWaalsContact CD1-CA 3.47Å; W151-G180 VanDerWaalsContact CD2-CA 3.47Å; W151-G180 VanDerWaalsContact CG-CA 3.43Å; W151-F188 HydrophobicContact CH2-CD1 4.43Å; W151-F188 HydrophobicContact CH2-CD2 4.32Å; W151-F188 HydrophobicContact CH2-CE2 4.42Å; W151-F188 HydrophobicContact CH2-CG 4.31Å; W151-F188 HydrophobicContact CH2-CZ 4.49Å; W151-F188 AromaticContact CZ3-CD1 3.84Å; W151-F188 HydrophobicContact CZ3-CD1 3.84Å; W151-F188 HydrophobicContact CZ3-CD2 4.49Å; W151-F188 AromaticContact CZ3-CE1 3.85Å; W151-F188 HydrophobicContact CZ3-CE1 3.85Å; W151-F188 HydrophobicContact CZ3-CE2 4.49Å; W151-F188 HydrophobicContact CZ3-CG 4.16Å; W151-F188 HydrophobicContact CZ3-CZ 4.15Å; W151-N191 HydrophobicContact CD2-CB 3.33Å; W151-N191 HydrophobicContact CE3-CB 3.64Å; W151-N191 HydrophobicContact CG-CB 3.9Å; W151-N191 HydrophobicContact CH2-CB 3.82Å; W151-N191 HydrophobicContact CZ2-CB 3.53Å; W151-N191 WeakPolarHBondContact CZ2-ND2 3.48Å; W151-N191 HydrophobicContact CZ3-CB 3.87Å; W151-N191 VanDerWaalsContact NE1-CG 3.32Å; W151-N191 PolarHBondContact NE1-OD1 3.09Å; W151-I192 HydrophobicContact CE3-CD1 3.71Å; W151-I192 HydrophobicContact CE3-CG1 4.46Å; W151-I192 HydrophobicContact CZ3-CD1 4Å; W151-I192 HydrophobicContact CZ3-CG1 4.3Å
152K96.1Very high97Very high70 Ų7024.7 Ų24.730%0.30412%0.115SC..THydrogen-bonded Turntrans-61.2-35.3-172.6-73.5-179.6-156.4154.40113.5V150 R155 E190 N191 P193V150-K152 PolarHBondContact O-N 2.97Å; V150-K152 VanDerWaalsContact O-N 3.08Å; K152-R155 PolarHBondContact O-NH1 3.13Å; K152-E190 WeakPolarHBondContact CD-O 3.35Å; K152-E190 PolarHBondContact NZ-O 3.42Å; K152-N191 WeakPolarHBondContact CG-O 3.49Å; K152-N191 PolarHBondContact N-O 3.26Å; K152-P193 HydrophobicContact CG-CG 4.16Å
153A95.6Very high97Very high37 Ų3721.7 Ų21.731%0.30610%0.099SC..THydrogen-bonded Turntrans-78.6-16.8-177.700000114.1W151 R155 P178 N191W151-A153 VanDerWaalsContact C-N 3.31Å; W151-A153 PolarHBondContact O-N 3.08Å; A153-R155 PolarHBondContact O-NH1 3.4Å; A153-P178 WeakPolarHBondContact O-CD 3.33Å; A153-N191 WeakPolarHBondContact CB-OD1 3.47Å; A153-N191 PolarHBondContact N-OD1 3.13Å
154T98Very high97Very high0 Ų022.4 Ų22.40%010%0.104CC..  trans-67.4140175.6-60.20000109.9R61 L69 Q148 W151 Y176 P178R61-T154 PolarHBondContact NH2-O 3.38Å; L69-T154 HydrophobicContact CD2-CG2 3.63Å; Q148-T154 PolarHBondContact NE2-OG1 2.86Å; W151-T154 PolarHBondContact O-N 3.18Å; T154-Y176 HydrophobicContact CG2-CD1 4.01Å; T154-Y176 HydrophobicContact CG2-CG 4.33Å; T154-P178 PolarHBondContact OG1-O 3.49Å
155R97.6Very high96.8Very high119 Ų11925.3 Ų25.345%0.44912%0.124SC..  trans-122.7-33.8-174.3-64.9-69.5172.6-86.7-1113L69 S70 K152 A153 R177L69-R155 CarbonylContact C-O 3.6Å; L69-R155 VanDerWaalsContact CA-O 3.25Å; L69-R155 WeakPolarHBondContact CA-O 3.44Å; S70-R155 PolarHBondContact N-O 2.89Å; S70-R155 PolarHBondContact OG-O 3Å; K152-R155 PolarHBondContact O-NH1 3.13Å; A153-R155 PolarHBondContact O-NH1 3.4Å; R155-R177 PolarHBondContact N-O 3.37Å
156E98.1Very high96.7Very high51 Ų5130 Ų3024%0.23816%0.158CC..EExtended strand (participates in β ladder)trans-126.1148.4-173.6-67.2169123.900110.7S70 C72 L75 Y176 R177S70-E156 WeakPolarHBondContact O-CA 3.32Å; S70-E156 WeakPolarHBondContact OG-CG 3.44Å; C72-E156 HydrophobicContact CB-CB 4.03Å; C72-E156 HydrophobicContact CB-CG 4.5Å; L75-E156 HydrophobicContact CD1-CB 4.28Å; E156-Y176 WeakPolarHBondContact O-CA 3.41Å; E156-R177 HydrophobicContact CB-CB 4.38Å; E156-R177 PolarHBondContact N-O 3.3Å; E156-R177 PolarHBondContact O-N 3Å; E156-R177 IonicContact OE1-NH2 2.89Å; E156-R177 PolarHBondContact OE1-NH2 3.33Å; E156-R177 IonicContact OE2-CZ 3.02Å; E156-R177 IonicContact OE2-NE 3.9Å; E156-R177 PolarHBondContact OE2-NE 3.02Å; E156-R177 IonicContact OE2-NH2 2.87Å; E156-R177 PolarHBondContact OE2-NH2 3.45Å
157V98.6Very high96.5Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-140.7146.4172.365.80000111.1F53 L54 L69 S70 W71 C72 A174 F175 Y176F53-V157 HydrophobicContact CE1-CG1 4.43Å; F53-V157 HydrophobicContact CE1-CG2 3.78Å; F53-V157 HydrophobicContact CZ-CG2 4.33Å; L54-V157 HydrophobicContact CD1-CG1 3.7Å; L69-V157 HydrophobicContact CB-CG1 3.94Å; L69-V157 HydrophobicContact CD1-CB 3.99Å; L69-V157 HydrophobicContact CD1-CG1 3.83Å; L69-V157 HydrophobicContact CG-CG1 4.47Å; S70-V157 PolarHBondContact O-N 3.18Å; W71-V157 CarbonylContact C-O 3.29Å; W71-V157 WeakPolarHBondContact CA-O 3.25Å; C72-V157 PolarHBondContact N-O 3.11Å; V157-A174 HydrophobicContact CG2-CB 4.37Å; V157-F175 VanDerWaalsContact CA-O 3.32Å; V157-F175 WeakPolarHBondContact CA-O 3.1Å; V157-F175 WeakPolarHBondContact CG2-O 3.35Å; V157-Y176 HydrophobicContact CB-CD1 3.94Å; V157-Y176 HydrophobicContact CB-CE1 4.11Å; V157-Y176 HydrophobicContact CG2-CD1 3.61Å; V157-Y176 HydrophobicContact CG2-CE1 3.43Å; V157-Y176 VanDerWaalsContact CG2-CE1 3.43Å; V157-Y176 HydrophobicContact CG2-CG 4.33Å
158G97.7Very high96.4Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-136.3141.9163.900000109.8A174 F175G158-A174 CarbonylContact O-C 3.56Å; G158-A174 WeakPolarHBondContact O-CA 3.38Å; G158-F175 PolarHBondContact N-O 3.2Å; G158-F175 PolarHBondContact O-N 2.96Å
159C98.2Very high96.3Very high0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-138.6146.9-174.4-175.40000111.9Q50 F53 W71 V172 V173 A174Q50-C159 PolarHBondContact NE2-O 2.95Å; F53-C159 HydrophobicContact CD1-CB 3.75Å; F53-C159 HydrophobicContact CD2-CB 4.18Å; F53-C159 HydrophobicContact CE1-CB 3.53Å; F53-C159 HydrophobicContact CE2-CB 3.96Å; F53-C159 WeakPolarHBondContact CE2-SG 3.25Å; F53-C159 HydrophobicContact CG-CB 4.06Å; F53-C159 HydrophobicContact CZ-CB 3.62Å; W71-C159 HydrophobicContact CH2-CB 3.97Å; W71-C159 HydrophobicContact CZ3-CB 4.32Å; C159-V172 VanDerWaalsContact SG-CG1 3.55Å; C159-V173 VanDerWaalsContact CA-O 3.31Å; C159-V173 WeakPolarHBondContact CA-O 3.2Å; C159-V173 PolarHBondContact SG-O 3.27Å; C159-A174 HydrophobicContact CB-CB 4Å
160S97.2Very high96.2Very high5 Ų540.6 Ų40.64%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-137.8148.1173.2-171.30000111.1E80 Q162 V172 V173E80-S160 VanDerWaalsContact CA-CB 3.41Å; E80-S160 WeakPolarHBondContact CA-OG 3.14Å; E80-S160 WeakPolarHBondContact CB-OG 3.27Å; S160-Q162 PolarHBondContact OG-NE2 2.96Å; S160-V172 WeakPolarHBondContact O-CA 3.43Å; S160-V173 PolarHBondContact N-O 2.9Å; S160-V173 PolarHBondContact O-N 2.83Å
161R96.3Very high96.3Very high22 Ų2240.6 Ų40.68%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-122.2120.4174.5176.7-17569-176.9-1.3108.6F49 P116 V171 V172F49-R161 HydrophobicContact CD1-CB 3.99Å; F49-R161 HydrophobicContact CD2-CB 4.21Å; F49-R161 HydrophobicContact CE1-CB 3.71Å; F49-R161 HydrophobicContact CE2-CB 3.94Å; F49-R161 HydrophobicContact CE2-CG 4.4Å; F49-R161 HydrophobicContact CG-CB 4.25Å; F49-R161 HydrophobicContact CZ-CB 3.7Å; P116-R161 WeakPolarHBondContact O-CD 3.33Å; P116-R161 PolarHBondContact O-NH1 3Å; R161-V171 CarbonylContact C-O 3.56Å; R161-V171 WeakPolarHBondContact CA-O 3.32Å; R161-V172 HydrophobicContact CB-CG2 3.91Å; R161-V172 HydrophobicContact CG-CG2 3.75Å
162Q95.2Very high96.4Very high42 Ų4240.2 Ų40.220%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-112.7147.8177-64-62.3-44.100110.3A83 L87 S160 A170 V171A83-Q162 HydrophobicContact CB-CB 3.97Å; A83-Q162 HydrophobicContact CB-CG 3.51Å; L87-Q162 HydrophobicContact CD1-CB 3.5Å; L87-Q162 VanDerWaalsContact CD1-CB 3.5Å; L87-Q162 HydrophobicContact CG-CB 4.23Å; S160-Q162 PolarHBondContact OG-NE2 2.96Å; Q162-A170 CarbonylContact O-C 3.31Å; Q162-A170 WeakPolarHBondContact O-CA 3.37Å; Q162-V171 PolarHBondContact N-O 3.33Å; Q162-V171 PolarHBondContact O-N 3.25Å
163W95.1Very high96.5Very high62 Ų6236.9 Ų36.924%0.23519%0.188CC..EExtended strand (participates in β ladder)trans-135.8133.1177.9-179.762000111.6I109 P112 L115 P165 R169I109-W163 PolarHBondContact O-NE1 3.41Å; P112-W163 HydrophobicContact CB-CE3 3.9Å; P112-W163 HydrophobicContact CB-CH2 4.24Å; P112-W163 HydrophobicContact CB-CZ3 3.68Å; P112-W163 HydrophobicContact CG-CH2 4.06Å; P112-W163 HydrophobicContact CG-CZ3 3.8Å; L115-W163 HydrophobicContact CD1-CB 4.12Å; L115-W163 HydrophobicContact CD1-CG 4.33Å; L115-W163 HydrophobicContact CD2-CB 3.67Å; L115-W163 HydrophobicContact CD2-CG 3.74Å; L115-W163 HydrophobicContact CG-CB 4.48Å; L115-W163 HydrophobicContact CG-CG 4.41Å; W163-P165 HydrophobicContact CE3-CG 3.96Å; W163-P165 HydrophobicContact CH2-CB 3.65Å; W163-P165 HydrophobicContact CH2-CG 3.81Å; W163-P165 HydrophobicContact CZ2-CB 4.14Å; W163-P165 HydrophobicContact CZ2-CG 4.47Å; W163-P165 HydrophobicContact CZ3-CB 3.98Å; W163-P165 HydrophobicContact CZ3-CG 3.57Å; W163-R169 WeakPolarHBondContact CA-O 3.34Å
164S94.7Very high96.6Very high16 Ų1635.1 Ų35.111%0.11217%0.173CC..EExtended strand (participates in β ladder)trans-105.8112.3173.5176.20000110S166 Q167 K168 R169S164-S166 VanDerWaalsContact C-N 3.33Å; S164-S166 PolarHBondContact O-N 3.24Å; S164-S166 PolarHBondContact OG-OG 2.82Å; S164-Q167 PolarHBondContact O-N 3.45Å; S164-Q167 WeakPolarHBondContact OG-CB 3.43Å; S164-Q167 WeakPolarHBondContact OG-CG 3.14Å; S164-Q167 PolarHBondContact OG-N 2.88Å; S164-K168 VanDerWaalsContact O-CA 3.32Å; S164-K168 WeakPolarHBondContact O-CA 3.48Å; S164-K168 PolarHBondContact O-N 3.39Å; S164-R169 PolarHBondContact N-O 2.92Å; S164-R169 PolarHBondContact O-N 3.21Å
165P92.7Very high96.6Very high83 Ų8335.1 Ų35.154%0.53917%0.173SC..THydrogen-bonded Turntrans-62.3-38.2176.3-18.827.2000113.1W163 K168W163-P165 HydrophobicContact CE3-CG 3.96Å; W163-P165 HydrophobicContact CH2-CB 3.65Å; W163-P165 HydrophobicContact CH2-CG 3.81Å; W163-P165 HydrophobicContact CZ2-CB 4.14Å; W163-P165 HydrophobicContact CZ2-CG 4.47Å; W163-P165 HydrophobicContact CZ3-CB 3.98Å; W163-P165 HydrophobicContact CZ3-CG 3.57Å; P165-K168 PolarHBondContact O-N 3.33Å
166S94.3Very high96.7Very high111 Ų11129.5 Ų29.578%0.77615%0.152SC*.THydrogen-bonded Turntrans-70.5-35-178.156.40000112.3S164S164-S166 VanDerWaalsContact C-N 3.33Å; S164-S166 PolarHBondContact O-N 3.24Å; S164-S166 PolarHBondContact OG-OG 2.82Å
167Q93.3Very high96.6Very high71 Ų7131 Ų3133%0.33216%0.155SC..THydrogen-bonded Turntrans-92.9-11.4178-59.1175.23.600113.2L87 S164 R169L87-Q167 PolarHBondContact O-OE1 2.93Å; S164-Q167 PolarHBondContact O-N 3.45Å; S164-Q167 WeakPolarHBondContact OG-CB 3.43Å; S164-Q167 WeakPolarHBondContact OG-CG 3.14Å; S164-Q167 PolarHBondContact OG-N 2.88Å; Q167-R169 HydrophobicContact CB-CB 4.11Å; Q167-R169 PolarHBondContact O-N 3.19Å
168K95.6Very high96.4Very high90 Ų9034.2 Ų34.239%0.39118%0.176SC..THydrogen-bonded Turntrans50.842.3-172.5-61.3172.2164.1-164.30111.9K108 I109 E110 S164 P165K108-K168 CarbonylContact C-O 3.52Å; K108-K168 WeakPolarHBondContact CA-O 3.16Å; K108-K168 WeakPolarHBondContact CG-O 3.25Å; I109-K168 PolarHBondContact N-O 3.36Å; I109-K168 CarbonylContact O-C 3.58Å; I109-K168 VanDerWaalsContact O-C 3.31Å; I109-K168 WeakPolarHBondContact O-CA 3.4Å; E110-K168 VanDerWaalsContact OE2-CD 3.23Å; E110-K168 WeakPolarHBondContact OE2-CD 3.26Å; E110-K168 VanDerWaalsContact OE2-CE 3.28Å; E110-K168 WeakPolarHBondContact OE2-CE 3.14Å; E110-K168 IonicContact OE2-NZ 2.84Å; E110-K168 PolarHBondContact OE2-NZ 3.29Å; S164-K168 VanDerWaalsContact O-CA 3.32Å; S164-K168 WeakPolarHBondContact O-CA 3.48Å; S164-K168 PolarHBondContact O-N 3.39Å; P165-K168 PolarHBondContact O-N 3.33Å
169R95.9Very high96.3Very high65 Ų6535.9 Ų35.925%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-122.1133.3-175.3-179.1-177.1-70140.7-2109.3L87 I106 M107 W163 S164 Q167 V171L87-R169 HydrophobicContact CD2-CB 4.05Å; L87-R169 HydrophobicContact CD2-CG 3.91Å; L87-R169 WeakPolarHBondContact CD2-O 3.46Å; L87-R169 PolarHBondContact O-NH1 3.4Å; I106-R169 HydrophobicContact CG2-CG 3.82Å; M107-R169 CarbonylContact O-C 3.59Å; M107-R169 WeakPolarHBondContact O-CA 3.49Å; W163-R169 WeakPolarHBondContact CA-O 3.34Å; S164-R169 PolarHBondContact N-O 2.92Å; S164-R169 PolarHBondContact O-N 3.21Å; Q167-R169 HydrophobicContact CB-CB 4.11Å; Q167-R169 PolarHBondContact O-N 3.19Å; R169-V171 HydrophobicContact CG-CG2 4.27Å
170A96.8Very high96.2Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-107.9144.3164.300000109.8I106 M107 I109 L115 Q162I106-A170 WeakPolarHBondContact CA-O 3.22Å; M107-A170 HydrophobicContact CG-CB 4.01Å; M107-A170 PolarHBondContact N-O 3.05Å; M107-A170 PolarHBondContact O-N 3.36Å; I109-A170 HydrophobicContact CB-CB 4.17Å; I109-A170 HydrophobicContact CG1-CB 3.54Å; L115-A170 HydrophobicContact CD2-CB 3.7Å; Q162-A170 CarbonylContact O-C 3.31Å; Q162-A170 WeakPolarHBondContact O-CA 3.37Å
171V98Very high96Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-127.8132.3172.8179.40000108A83 L86 L87 I104 A105 I106 R161 Q162 R169 V173A83-V171 HydrophobicContact CB-CB 4.4Å; A83-V171 HydrophobicContact CB-CG1 4.06Å; L86-V171 HydrophobicContact CB-CG1 3.86Å; L86-V171 HydrophobicContact CB-CG2 4.38Å; L86-V171 HydrophobicContact CD1-CG1 4.08Å; L87-V171 HydrophobicContact CB-CG2 4.46Å; L87-V171 HydrophobicContact CD2-CB 4.33Å; L87-V171 HydrophobicContact CD2-CG2 3.65Å; L87-V171 HydrophobicContact CG-CB 4.25Å; L87-V171 HydrophobicContact CG-CG2 3.8Å; I104-V171 HydrophobicContact CG2-CG1 4.44Å; A105-V171 CarbonylContact O-C 3.55Å; A105-V171 WeakPolarHBondContact O-CA 3.47Å; I106-V171 HydrophobicContact CD1-CG2 4.28Å; I106-V171 HydrophobicContact CG1-CG1 4.25Å; I106-V171 HydrophobicContact CG1-CG2 4.01Å; I106-V171 HydrophobicContact CG2-CG2 4.25Å; R161-V171 CarbonylContact C-O 3.56Å; R161-V171 WeakPolarHBondContact CA-O 3.32Å; Q162-V171 PolarHBondContact N-O 3.33Å; Q162-V171 PolarHBondContact O-N 3.25Å; R169-V171 HydrophobicContact CG-CG2 4.27Å; V171-V173 HydrophobicContact CG1-CG2 4.04Å
172V98.6Very high95.4Very high0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-118.3129171.6-178.30000108F49 I104 A105 I121 W125 C159 S160 R161F49-V172 HydrophobicContact CZ-CG1 3.82Å; F49-V172 HydrophobicContact CZ-CG2 4.29Å; I104-V172 CarbonylContact C-O 3.6Å; I104-V172 WeakPolarHBondContact CA-O 3.49Å; A105-V172 HydrophobicContact CB-CB 4.39Å; A105-V172 PolarHBondContact N-O 3.43Å; A105-V172 PolarHBondContact O-N 2.96Å; I121-V172 HydrophobicContact CD1-CB 4.31Å; I121-V172 HydrophobicContact CD1-CG2 3.83Å; I121-V172 HydrophobicContact CG1-CB 4.46Å; I121-V172 HydrophobicContact CG1-CG1 4.26Å; I121-V172 HydrophobicContact CG1-CG2 4Å; I121-V172 HydrophobicContact CG2-CG1 4.01Å; W125-V172 HydrophobicContact CH2-CG1 4.39Å; C159-V172 VanDerWaalsContact SG-CG1 3.55Å; S160-V172 WeakPolarHBondContact O-CA 3.43Å; R161-V172 HydrophobicContact CB-CG2 3.91Å; R161-V172 HydrophobicContact CG-CG2 3.75Å
173V98.3Very high94.4Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-122.9135.8174.6177.70000107.6A79 A83 L86 N103 I104 C159 S160 V171 F175A79-V173 HydrophobicContact CB-CB 4.04Å; A79-V173 HydrophobicContact CB-CG1 3.87Å; A79-V173 WeakPolarHBondContact CB-O 3.43Å; A83-V173 HydrophobicContact CB-CB 4.29Å; A83-V173 HydrophobicContact CB-CG2 3.76Å; L86-V173 HydrophobicContact CD1-CG2 3.79Å; N103-V173 WeakPolarHBondContact O-CA 3.23Å; I104-V173 HydrophobicContact CG1-CG2 4.31Å; C159-V173 VanDerWaalsContact CA-O 3.31Å; C159-V173 WeakPolarHBondContact CA-O 3.2Å; C159-V173 PolarHBondContact SG-O 3.27Å; S160-V173 PolarHBondContact N-O 2.9Å; S160-V173 PolarHBondContact O-N 2.83Å; V171-V173 HydrophobicContact CG1-CG2 4.04Å; V173-F175 HydrophobicContact CG1-CD2 4.33Å; V173-F175 HydrophobicContact CG1-CE1 4.26Å; V173-F175 HydrophobicContact CG1-CE2 3.95Å; V173-F175 HydrophobicContact CG1-CZ 3.9Å
174A98.7Very high93.6Very high0 Ų045.4 Ų45.40%026%0.256CS..EExtended strand (participates in β ladder)trans-126.5131.5167.500000109.9F53 E102 N103 W125 V157 G158 C159 Y176F53-A174 HydrophobicContact CE1-CB 4.41Å; F53-A174 HydrophobicContact CE2-CB 4.32Å; F53-A174 HydrophobicContact CZ-CB 3.61Å; E102-A174 WeakPolarHBondContact CA-O 3.3Å; N103-A174 PolarHBondContact N-O 3.24Å; N103-A174 PolarHBondContact O-N 3.45Å; W125-A174 HydrophobicContact CH2-CB 3.66Å; W125-A174 HydrophobicContact CZ3-CB 3.86Å; V157-A174 HydrophobicContact CG2-CB 4.37Å; G158-A174 CarbonylContact O-C 3.56Å; G158-A174 WeakPolarHBondContact O-CA 3.38Å; C159-A174 HydrophobicContact CB-CB 4Å; A174-Y176 HydrophobicContact CB-CE2 3.77Å
175F98.3Very high93Very high1 Ų148 Ų480%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-106.9143.9171.5-70.5-54.4000111L75 E78 A79 W82 L100 G101 E102 V157 G158 V173L75-F175 HydrophobicContact CB-CB 4.11Å; L75-F175 HydrophobicContact CD2-CB 4.09Å; L75-F175 HydrophobicContact CG-CB 4.5Å; E78-F175 HydrophobicContact CB-CD2 3.94Å; E78-F175 HydrophobicContact CB-CE2 4Å; A79-F175 HydrophobicContact CB-CD2 3.83Å; A79-F175 HydrophobicContact CB-CE2 4.18Å; W82-F175 HydrophobicContact CB-CE2 4.23Å; W82-F175 HydrophobicContact CB-CZ 4.18Å; W82-F175 AromaticContact CD1-CZ 3.82Å; W82-F175 HydrophobicContact CG-CZ 4.2Å; L100-F175 HydrophobicContact CD1-CG 4.49Å; G101-F175 CarbonylContact O-C 3.57Å; G101-F175 VanDerWaalsContact O-CA 3.27Å; G101-F175 WeakPolarHBondContact O-CA 3.06Å; E102-F175 HydrophobicContact CB-CD1 3.99Å; E102-F175 HydrophobicContact CB-CE1 3.9Å; E102-F175 HydrophobicContact CG-CD1 4.08Å; E102-F175 HydrophobicContact CG-CE1 3.65Å; V157-F175 VanDerWaalsContact CA-O 3.32Å; V157-F175 WeakPolarHBondContact CA-O 3.1Å; V157-F175 WeakPolarHBondContact CG2-O 3.35Å; G158-F175 PolarHBondContact N-O 3.2Å; G158-F175 PolarHBondContact O-N 2.96Å; V173-F175 HydrophobicContact CG1-CD2 4.33Å; V173-F175 HydrophobicContact CG1-CE1 4.26Å; V173-F175 HydrophobicContact CG1-CE2 3.95Å; V173-F175 HydrophobicContact CG1-CZ 3.9Å
176Y98.3Very high92.7Very high0 Ų049 Ų490%027%0.269CS..EExtended strand (participates in β ladder)trans-128.1142.5-172.6-60.8-90.9000111.1H57 L69 L100 G101 N103 W125 Q148 T154 E156 V157 A174H57-Y176 AromaticContact NE2-CZ 3.91Å; H57-Y176 PolarHBondContact NE2-OH 3.2Å; L69-Y176 HydrophobicContact CD1-CD1 4.46Å; L69-Y176 HydrophobicContact CD1-CE1 4.37Å; L100-Y176 WeakPolarHBondContact CA-O 3.24Å; G101-Y176 PolarHBondContact N-O 3.39Å; G101-Y176 PolarHBondContact O-N 3.38Å; N103-Y176 HydrophobicContact CB-CE2 3.92Å; N103-Y176 PolarHBondContact ND2-OH 3.49Å; N103-Y176 VanDerWaalsContact ND2-OH 3.09Å; W125-Y176 VanDerWaalsContact CZ3-OH 3.29Å; W125-Y176 WeakPolarHBondContact CZ3-OH 3.35Å; Q148-Y176 HydrophobicContact CG-CD1 4.28Å; Q148-Y176 HydrophobicContact CG-CD2 3.34Å; Q148-Y176 HydrophobicContact CG-CE1 4.4Å; Q148-Y176 HydrophobicContact CG-CE2 3.51Å; Q148-Y176 HydrophobicContact CG-CG 3.75Å; T154-Y176 HydrophobicContact CG2-CD1 4.01Å; T154-Y176 HydrophobicContact CG2-CG 4.33Å; E156-Y176 WeakPolarHBondContact O-CA 3.41Å; V157-Y176 HydrophobicContact CB-CD1 3.94Å; V157-Y176 HydrophobicContact CB-CE1 4.11Å; V157-Y176 HydrophobicContact CG2-CD1 3.61Å; V157-Y176 HydrophobicContact CG2-CE1 3.43Å; V157-Y176 VanDerWaalsContact CG2-CE1 3.43Å; V157-Y176 HydrophobicContact CG2-CG 4.33Å; A174-Y176 HydrophobicContact CB-CE2 3.77Å
177R97Very high92.5Very high83 Ų8344.4 Ų44.431%0.31324%0.237SC..EExtended strand (participates in β ladder)trans-137.9133.9177.5-171.117060.5-173.9-1.7112.1L75 L100 R155 E156L75-R177 HydrophobicContact CD1-CB 3.99Å; L100-R177 HydrophobicContact CD2-CB 4.1Å; L100-R177 HydrophobicContact CD2-CG 4.31Å; R155-R177 PolarHBondContact N-O 3.37Å; E156-R177 HydrophobicContact CB-CB 4.38Å; E156-R177 PolarHBondContact N-O 3.3Å; E156-R177 PolarHBondContact O-N 3Å; E156-R177 IonicContact OE1-NH2 2.89Å; E156-R177 PolarHBondContact OE1-NH2 3.33Å; E156-R177 IonicContact OE2-CZ 3.02Å; E156-R177 IonicContact OE2-NE 3.9Å; E156-R177 PolarHBondContact OE2-NE 3.02Å; E156-R177 IonicContact OE2-NH2 2.87Å; E156-R177 PolarHBondContact OE2-NH2 3.45Å
178P95.2Very high92.5Very high68 Ų6841.2 Ų41.244%0.44222%0.222SC..SBendcis-56.6157.3-19.7-21.633.6000112.5A153 T154A153-P178 WeakPolarHBondContact O-CD 3.33Å; T154-P178 PolarHBondContact OG1-O 3.49Å
179A95.1Very high92.3Very high35 Ų3542.3 Ų42.329%0.28923%0.227SC..  trans-53.2138.8173.100000112.3G99 L100G99-A179 PolarHBondContact O-N 3.37Å; G99-A179 VanDerWaalsContact O-N 3.07Å; L100-A179 VanDerWaalsContact C-CB 3.45Å
180G95.1Very high92.1Very high9 Ų944.3 Ų44.39%0.09324%0.239CC..SBendtrans-86.2-169.116400000111.8W151 G182W151-G180 VanDerWaalsContact CD1-CA 3.47Å; W151-G180 VanDerWaalsContact CD2-CA 3.47Å; W151-G180 VanDerWaalsContact CG-CA 3.43Å; G180-G182 VanDerWaalsContact C-N 3.34Å; G180-G182 PolarHBondContact O-N 3.09Å
181N94.1Very high92Very high30 Ų3045.2 Ų45.216%0.1624%0.244CC..SBendtrans56.943.6175.4-61.7-23.1000113.5Q144 T147 F188Q144-N181 PolarHBondContact O-ND2 2.67Å; T147-N181 VanDerWaalsContact CB-OD1 3.23Å; T147-N181 WeakPolarHBondContact CB-OD1 3.47Å; T147-N181 PolarHBondContact OG1-OD1 2.89Å; N181-F188 HydrophobicContact CB-CZ 4.31Å
182G82.4Confident91.7Very high26 Ų2645.6 Ų45.627%0.26825%0.246SC..  trans-60.6160.5179.700000114.2G180 N184 S187 F188G180-G182 VanDerWaalsContact C-N 3.34Å; G180-G182 PolarHBondContact O-N 3.09Å; G182-N184 PolarHBondContact O-N 2.71Å; G182-S187 PolarHBondContact O-OG 3.28Å; G182-F188 VanDerWaalsContact O-CE2 3.24Å; G182-F188 WeakPolarHBondContact O-CE2 3.36Å
183N74.5Confident90.8Very high173 Ų17346 Ų4693%0.92525%0.248SC*.SBendtrans-75.913.7-163.2-60.9-12.5000116.2
184N79.2Confident89.9Confident92 Ų9254.2 Ų54.249%0.49229%0.287SS..SBendtrans-148.4153179.367.957.9000113.6G182 Q186 S187 F188G182-N184 PolarHBondContact O-N 2.71Å; N184-Q186 PolarHBondContact O-N 2.97Å; N184-Q186 WeakPolarHBondContact OD1-CB 2.94Å; N184-Q186 PolarHBondContact OD1-N 2.81Å; N184-S187 WeakPolarHBondContact O-CB 3.06Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.1Å; N184-S187 PolarHBondContact O-OG 2.83Å; N184-S187 PolarHBondContact OD1-N 3.31Å; N184-F188 WeakPolarHBondContact O-CD2 3.44Å; N184-F188 PolarHBondContact O-N 3.45Å
185T81.6Confident88.6Confident70 Ų7063.7 Ų63.743%0.42932%0.322SS..Hα-helixtrans-57.3-32.6-179.5-480000113.1P137 S187 F188 K189P137-T185 WeakPolarHBondContact O-CG2 3.33Å; T185-S187 VanDerWaalsContact C-N 3.34Å; T185-S187 PolarHBondContact O-N 3.47Å; T185-F188 WeakPolarHBondContact O-CB 3.34Å; T185-F188 PolarHBondContact O-N 3.45Å; T185-K189 PolarHBondContact O-N 3.42Å
186Q86.6Confident87Confident104 Ų10468.9 Ų68.949%0.48634%0.342SS..Hα-helixtrans-64.5-41178.9-177.157.533.600111.2N184 F188 K189 E190N184-Q186 PolarHBondContact O-N 2.97Å; N184-Q186 WeakPolarHBondContact OD1-CB 2.94Å; N184-Q186 PolarHBondContact OD1-N 2.81Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 2.78Å; Q186-K189 PolarHBondContact O-N 2.78Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.22Å; Q186-E190 PolarHBondContact NE2-OE1 3.43Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.49Å
187S90.8Very high84.8Confident16 Ų1678.3 Ų78.311%0.11238%0.379CS..Hα-helixtrans-62-36.3175.775.30000112.1G182 N184 T185 E190 N191G182-S187 PolarHBondContact O-OG 3.28Å; N184-S187 WeakPolarHBondContact O-CB 3.06Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.1Å; N184-S187 PolarHBondContact O-OG 2.83Å; N184-S187 PolarHBondContact OD1-N 3.31Å; T185-S187 VanDerWaalsContact C-N 3.34Å; T185-S187 PolarHBondContact O-N 3.47Å; S187-E190 PolarHBondContact O-N 3.44Å; S187-N191 VanDerWaalsContact O-CB 3.28Å; S187-N191 WeakPolarHBondContact O-CB 3.32Å; S187-N191 PolarHBondContact O-N 3.29Å; S187-N191 PolarHBondContact O-ND2 3.43Å
188F93.5Very high82.5Confident4 Ų478.4 Ų78.42%0.01840%0.398CS..Hα-helixtrans-65.7-45.2173.8-82.3-90.4000112Y132 P137 S138 W139 T147 W151 N181 G182 N184 T185 Q186 E190 N191 I192Y132-F188 WeakPolarHBondContact OH-CD1 3.46Å; P137-F188 HydrophobicContact CB-CB 3.94Å; P137-F188 WeakPolarHBondContact O-CB 3.27Å; S138-F188 WeakPolarHBondContact O-CD1 3.39Å; S138-F188 WeakPolarHBondContact O-CE1 3.48Å; W139-F188 VanDerWaalsContact CA-CZ 3.43Å; W139-F188 HydrophobicContact CB-CE1 4.22Å; W139-F188 HydrophobicContact CB-CE2 3.72Å; W139-F188 HydrophobicContact CB-CZ 3.39Å; W139-F188 AromaticContact CD1-CZ 3.94Å; W139-F188 HydrophobicContact CG-CZ 4.09Å; T147-F188 HydrophobicContact CG2-CE1 4.14Å; W151-F188 HydrophobicContact CH2-CD1 4.43Å; W151-F188 HydrophobicContact CH2-CD2 4.32Å; W151-F188 HydrophobicContact CH2-CE2 4.42Å; W151-F188 HydrophobicContact CH2-CG 4.31Å; W151-F188 HydrophobicContact CH2-CZ 4.49Å; W151-F188 AromaticContact CZ3-CD1 3.84Å; W151-F188 HydrophobicContact CZ3-CD1 3.84Å; W151-F188 HydrophobicContact CZ3-CD2 4.49Å; W151-F188 AromaticContact CZ3-CE1 3.85Å; W151-F188 HydrophobicContact CZ3-CE1 3.85Å; W151-F188 HydrophobicContact CZ3-CE2 4.49Å; W151-F188 HydrophobicContact CZ3-CG 4.16Å; W151-F188 HydrophobicContact CZ3-CZ 4.15Å; N181-F188 HydrophobicContact CB-CZ 4.31Å; G182-F188 VanDerWaalsContact O-CE2 3.24Å; G182-F188 WeakPolarHBondContact O-CE2 3.36Å; N184-F188 WeakPolarHBondContact O-CD2 3.44Å; N184-F188 PolarHBondContact O-N 3.45Å; T185-F188 WeakPolarHBondContact O-CB 3.34Å; T185-F188 PolarHBondContact O-N 3.45Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 2.78Å; F188-E190 VanDerWaalsContact C-N 3.26Å; F188-E190 PolarHBondContact O-N 2.96Å; F188-N191 PolarHBondContact O-N 2.81Å; F188-I192 HydrophobicContact CB-CG1 4.48Å; F188-I192 HydrophobicContact CD1-CD1 4.47Å; F188-I192 HydrophobicContact CD1-CG1 3.83Å; F188-I192 VanDerWaalsContact O-CB 3.31Å; F188-I192 WeakPolarHBondContact O-CB 3.39Å; F188-I192 WeakPolarHBondContact O-CG1 3.28Å; F188-I192 PolarHBondContact O-N 3.37Å
189K90.9Very high80Confident113 Ų11378.3 Ų78.349%0.49141%0.409SS..Hα-helixtrans-60.5-36.5176.6-69.9178.8178.9-178.80112.6P137 T185 Q186P137-K189 HydrophobicContact CB-CG 4.48Å; P137-K189 HydrophobicContact CG-CG 4.39Å; T185-K189 PolarHBondContact O-N 3.42Å; Q186-K189 PolarHBondContact O-N 2.78Å
190E91.5Very high77.5Confident107 Ų10783 Ų8350%0.543%0.425SS..Hα-helixtrans-72.3-41.5178.1-72.4166.6-168.900111.8K152 Q186 S187 F188K152-E190 WeakPolarHBondContact CD-O 3.35Å; K152-E190 PolarHBondContact NZ-O 3.42Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.22Å; Q186-E190 PolarHBondContact NE2-OE1 3.43Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.49Å; S187-E190 PolarHBondContact O-N 3.44Å; F188-E190 VanDerWaalsContact C-N 3.26Å; F188-E190 PolarHBondContact O-N 2.96Å
191N94.6Very high74.8Confident18 Ų1888.1 Ų88.110%0.09645%0.454CS..Hα-helixtrans-101.6-17.7-167.4-73-81.1000116W151 K152 A153 S187 F188 P193W151-N191 HydrophobicContact CD2-CB 3.33Å; W151-N191 HydrophobicContact CE3-CB 3.64Å; W151-N191 HydrophobicContact CG-CB 3.9Å; W151-N191 HydrophobicContact CH2-CB 3.82Å; W151-N191 HydrophobicContact CZ2-CB 3.53Å; W151-N191 WeakPolarHBondContact CZ2-ND2 3.48Å; W151-N191 HydrophobicContact CZ3-CB 3.87Å; W151-N191 VanDerWaalsContact NE1-CG 3.32Å; W151-N191 PolarHBondContact NE1-OD1 3.09Å; K152-N191 WeakPolarHBondContact CG-O 3.49Å; K152-N191 PolarHBondContact N-O 3.26Å; A153-N191 WeakPolarHBondContact CB-OD1 3.47Å; A153-N191 PolarHBondContact N-OD1 3.13Å; S187-N191 VanDerWaalsContact O-CB 3.28Å; S187-N191 WeakPolarHBondContact O-CB 3.32Å; S187-N191 PolarHBondContact O-N 3.29Å; S187-N191 PolarHBondContact O-ND2 3.43Å; F188-N191 PolarHBondContact O-N 2.81Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å
192I90.5Very high72Confident8 Ų895.3 Ų95.34%0.04149%0.487CS..SBendtrans-95.3116.1173.9-55.1-54.8000108Y132 F134 T147 V150 W151 F188Y132-I192 HydrophobicContact CD1-CG2 4.37Å; Y132-I192 HydrophobicContact CE1-CB 4.49Å; Y132-I192 HydrophobicContact CE1-CG2 3.68Å; F134-I192 HydrophobicContact CE1-CG2 4.42Å; T147-I192 HydrophobicContact CG2-CD1 3.86Å; T147-I192 HydrophobicContact CG2-CG1 4.37Å; V150-I192 HydrophobicContact CG2-CD1 4.03Å; W151-I192 HydrophobicContact CE3-CD1 3.71Å; W151-I192 HydrophobicContact CE3-CG1 4.46Å; W151-I192 HydrophobicContact CZ3-CD1 4Å; W151-I192 HydrophobicContact CZ3-CG1 4.3Å; F188-I192 HydrophobicContact CB-CG1 4.48Å; F188-I192 HydrophobicContact CD1-CD1 4.47Å; F188-I192 HydrophobicContact CD1-CG1 3.83Å; F188-I192 VanDerWaalsContact O-CB 3.31Å; F188-I192 WeakPolarHBondContact O-CB 3.39Å; F188-I192 WeakPolarHBondContact O-CG1 3.28Å; F188-I192 PolarHBondContact O-N 3.37Å
193P81.6Confident69.6Low8 Ų8100.3 Ų100.35%0.05252%0.516CS..PPolyproline II helixtrans-63.2153.1173.9-20.234.2000111.4Y64 S66 K152 N191Y64-P193 WeakPolarHBondContact O-CB 3.24Å; Y64-P193 WeakPolarHBondContact O-CG 3.47Å; S66-P193 VanDerWaalsContact OG-CG 3.23Å; S66-P193 WeakPolarHBondContact OG-CG 3.23Å; K152-P193 HydrophobicContact CG-CG 4.16Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å
194Q77.7Confident67.8Low174 Ų17496.8 Ų96.881%0.81351%0.505SS*.SBendtrans-59.3159.4168.3-67.5-174.3-16.800109.8
195R72.9Confident65.4Low198 Ų19899.3 Ų99.375%0.74752%0.519SS*.SBendtrans-39.2142.7-177.8-178.1-178.9-91-172-4.3111.2F134 Y197F134-R195 HydrophobicContact CD1-CB 4.48Å; F134-R195 HydrophobicContact CD2-CB 4.45Å; F134-R195 HydrophobicContact CG-CB 4.28Å; R195-Y197 PolarHBondContact O-N 3.19Å
196R64.4Low62.9Low110 Ų110104.6 Ų104.642%0.41554%0.538SS..  trans-29.4131.8-175.1-71.5-174-172.4162.62.2112.4Y64 A198Y64-R196 HydrophobicContact CD1-CG 4.22Å; Y64-R196 HydrophobicContact CD2-CG 4.34Å; Y64-R196 HydrophobicContact CE1-CG 3.62Å; Y64-R196 HydrophobicContact CE2-CG 3.73Å; Y64-R196 WeakPolarHBondContact OH-CG 3.43Å; Y64-R196 PolarHBondContact OH-NE 3.2Å; R196-A198 PolarHBondContact O-N 3.32Å
197Y51.9Low60.4Low199 Ų199106 Ų10678%0.7855%0.554SS**  trans-52.1119.6175-143.6-95.2000108.2Q63 R195 G199Q63-Y197 PolarHBondContact O-N 3.17Å; R195-Y197 PolarHBondContact O-N 3.19Å; Y197-G199 PolarHBondContact O-N 2.69Å
198A49.1Very low57.5Low85 Ų85114.3 Ų114.370%0.70259%0.591SS**G310 helixtrans-65.510.4-17300000114.2R196 E200R196-A198 PolarHBondContact O-N 3.32Å; A198-E200 PolarHBondContact O-N 3.48Å
199G42Very low54.5Low65 Ų65122 Ų12267%0.6763%0.632SS**G310 helixtrans-79.3-6.5-175.400000115.8Y197Y197-G199 PolarHBondContact O-N 2.69Å
200E41.8Very low51.6Low134 Ų134125.4 Ų125.463%0.62665%0.652SS**G310 helixtrans-126.212.3-174.1-77.6-179.4-175.200115.3A198 E202A198-E200 PolarHBondContact O-N 3.48Å; E200-E202 PolarHBondContact O-N 3.32Å
201T38.6Very low48.7Very low116 Ų116129.7 Ų129.771%0.71267%0.672SS**THydrogen-bonded Turntrans-69.62.4178.237.10000115.7
202E35.2Very low45.5Very low182 Ų182134 Ų13485%0.8570%0.703SS**THydrogen-bonded Turntrans-106.3-8.6-174.3-74.5-167.4162.400117.9E200E200-E202 PolarHBondContact O-N 3.32Å
203C33.2Very low42.6Very low130 Ų130139.1 Ų139.188%0.87874%0.739SS**SBendtrans-92.33179.3-78.20000115.7
204S35.4Very low40.6Very low100 Ų100147 Ų14770%0.69978%0.779SS**SBendtrans-95.6-6-175.2179.90000115.5H206S204-H206 VanDerWaalsContact C-N 3.27Å; S204-H206 PolarHBondContact O-N 3.23Å
205N30Very low38.5Very low144 Ų144153.6 Ų153.677%0.7780%0.797SS**SBendtrans-88.624.8-176.9-73.7-14.6000114.4
206H29.5Very low36.8Very low181 Ų181151.4 Ų151.484%0.83880%0.799SS**SBendtrans-132.644-179.9-109.143.4000113.8S204S204-H206 VanDerWaalsContact C-N 3.27Å; S204-H206 PolarHBondContact O-N 3.23Å
207V33Very low35.3Very low135 Ų135153.6 Ų153.682%0.81882%0.82SS**  trans-143.363.7162.3-163.70000110.4
208E30.9Very low34.4Very low190 Ų190151.1 Ų151.189%0.88882%0.822SS**  trans-121.1-0.2169.2-93.3-167166.600115.3
209N29.4Very low33.6Very low165 Ų165154.9 Ų154.988%0.88283%0.829SS**  trans-109.466179.7-80.9-20.8000113.2
210M30.9Very low33Very low184 Ų184160.6 Ų160.691%0.90684%0.839SS**  trans-141.624.1161.6-77.1-150.3-146.700115
211H30.7Very low32.4Very low198 Ų198162.3 Ų162.392%0.91785%0.853SS**  trans-119.665.5168.7-76.9-68.2000112.1
212S27.8Very low32Very low109 Ų109165.6 Ų165.676%0.76286%0.863SS**SBendtrans-157.3134.3152.177.10000109.3
213S28.9Very low31.8Very low114 Ų114164.4 Ų164.480%0.79786%0.864SS**  trans96.265.3178.2-54.20000116.8
214I38.7Very low31.6Very low174 Ų174167.3 Ų167.389%0.89286%0.863SS**  -133.3109.9130-58.7-177.1000106.5
215R34.5Very low31.3Very low313 Ų313173.4 Ų173.4100%1.18188%0.877SS**  trans-65.50167.6-88.8179.7171.1-176.3-2.9110.9

Retrieved 215 of 215 residues in 103.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).