A0A3Q0KK73_SCHMA Loading...

Transposase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KK73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 561 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
1M54.7Low59.8Low93 Ų9373.5 Ų73.546%0.45837%0.37SS..  0-52.20-162.6158.4-81.100112.8R3 I4 L5 F26 V29 V30 L33M1-R3 PolarHBondContact O-N 2.84Å; M1-I4 PolarHBondContact O-N 2.88Å; M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.16Å; M1-F26 HydrophobicContact CE-CD1 3.94Å; M1-F26 HydrophobicContact CE-CE1 4.39Å; M1-F26 HydrophobicContact CG-CD1 4.27Å; M1-F26 HydrophobicContact SD-CB 4.19Å; M1-F26 HydrophobicContact SD-CD1 3.73Å; M1-F26 HydrophobicContact SD-CG 4.29Å; M1-V29 HydrophobicContact CE-CG1 4.45Å; M1-V30 HydrophobicContact CE-CG2 3.87Å; M1-V30 HydrophobicContact SD-CB 3.95Å; M1-V30 HydrophobicContact SD-CG2 3.34Å; M1-V30 WeakPolarHBondContact SD-CG2 3.17Å; M1-L33 HydrophobicContact CG-CD1 4.38Å; M1-L33 HydrophobicContact SD-CD1 3.9Å
2N59.8Low59.4Low85 Ų8571.6 Ų71.646%0.45537%0.365SS..Hα-helixtrans-45.4-56.9176-71.7-4.6000112I4 L5 M6 L33 L40N2-I4 PolarHBondContact O-N 3.39Å; N2-L5 PolarHBondContact O-N 3.49Å; N2-M6 WeakPolarHBondContact O-CB 3.49Å; N2-M6 WeakPolarHBondContact O-CG 3.35Å; N2-M6 PolarHBondContact O-N 2.87Å; N2-L33 VanDerWaalsContact OD1-CD2 3.31Å; N2-L33 WeakPolarHBondContact OD1-CD2 3.48Å; N2-L40 WeakPolarHBondContact OD1-CD1 3.33Å
3R62Low59.3Low180 Ų18076.5 Ų76.568%0.67941%0.41SS*.Hα-helixtrans-50.5-35.4177.7-74.6-174175.6176.3-1.9115.5M1 H7 L445M1-R3 PolarHBondContact O-N 2.84Å; R3-H7 VanDerWaalsContact O-CB 3.32Å; R3-H7 WeakPolarHBondContact O-CB 3.2Å; R3-H7 PolarHBondContact O-N 3.41Å; R3-L445 HydrophobicContact CB-CD2 4.44Å; R3-L445 HydrophobicContact CG-CD2 4.25Å
4I64.8Low59.8Low107 Ų10775.3 Ų75.355%0.54940%0.403SS..Hα-helixtrans-75.5-50.8-178.5-64171.9000110.6M1 N2 M6 H7 L8M1-I4 PolarHBondContact O-N 2.88Å; N2-I4 PolarHBondContact O-N 3.39Å; I4-M6 PolarHBondContact O-N 3.18Å; I4-H7 PolarHBondContact O-N 2.96Å; I4-H7 VanDerWaalsContact O-N 3.16Å; I4-L8 HydrophobicContact CG2-CD1 4.22Å; I4-L8 PolarHBondContact O-N 3.17Å
5L61.9Low60.5Low3 Ų373.8 Ų73.82%0.01640%0.4CS..Hα-helixtrans-55.8-44.4175-104.3152.6000110.8M1 N2 L8 M9 V22 L23 F26 L33 I37 L40M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-L5 VanDerWaalsContact O-N 3.16Å; N2-L5 PolarHBondContact O-N 3.49Å; L5-L8 WeakPolarHBondContact O-CB 3.48Å; L5-L8 PolarHBondContact O-N 3.04Å; L5-M9 WeakPolarHBondContact O-CG 3.44Å; L5-M9 PolarHBondContact O-N 3.05Å; L5-V22 HydrophobicContact CD2-CG1 4.12Å; L5-L23 HydrophobicContact CD1-CD1 3.62Å; L5-L23 HydrophobicContact CD2-CB 4.43Å; L5-L23 HydrophobicContact CD2-CD1 3.99Å; L5-L23 HydrophobicContact CG-CD1 4.44Å; L5-F26 HydrophobicContact CD1-CB 3.95Å; L5-F26 HydrophobicContact CD1-CD2 3.58Å; L5-F26 HydrophobicContact CD1-CE2 4.2Å; L5-F26 HydrophobicContact CD1-CG 3.79Å; L5-F26 HydrophobicContact CD2-CD2 3.66Å; L5-F26 HydrophobicContact CD2-CE2 3.91Å; L5-F26 HydrophobicContact CG-CD2 3.54Å; L5-F26 HydrophobicContact CG-CE2 3.7Å; L5-F26 HydrophobicContact CG-CG 4.23Å; L5-L33 HydrophobicContact CD1-CD1 4.06Å; L5-I37 HydrophobicContact CD2-CD1 4.25Å; L5-L40 HydrophobicContact CB-CD2 4.35Å
6M61.2Low60.9Low19 Ų1970.6 Ų70.69%0.09438%0.383CS..Hα-helixtrans-60.1-48.6176.2-73.8-55.5-139.100111.1N2 I4 L8 M9 T10 L40 L41 F441 L445N2-M6 WeakPolarHBondContact O-CB 3.49Å; N2-M6 WeakPolarHBondContact O-CG 3.35Å; N2-M6 PolarHBondContact O-N 2.87Å; I4-M6 PolarHBondContact O-N 3.18Å; M6-L8 PolarHBondContact O-N 3.43Å; M6-M9 PolarHBondContact O-N 3.45Å; M6-T10 PolarHBondContact O-N 3.02Å; M6-T10 PolarHBondContact O-OG1 3.49Å; M6-L40 HydrophobicContact CE-CD2 4.46Å; M6-L40 HydrophobicContact CE-CG 4.2Å; M6-L40 HydrophobicContact SD-CD2 4.04Å; M6-L40 HydrophobicContact SD-CG 4.41Å; M6-L41 HydrophobicContact CE-CD2 3.79Å; M6-L41 HydrophobicContact CE-CG 4.5Å; M6-L41 HydrophobicContact SD-CD2 3.46Å; M6-L41 WeakPolarHBondContact SD-CD2 3.32Å; M6-L41 HydrophobicContact SD-CG 4.26Å; M6-F441 VanDerWaalsContact C-CZ 3.43Å; M6-F441 HydrophobicContact CB-CE2 3.32Å; M6-F441 HydrophobicContact CB-CZ 3.28Å; M6-F441 HydrophobicContact CE-CD2 3.99Å; M6-F441 HydrophobicContact CE-CE2 3.73Å; M6-F441 HydrophobicContact CG-CE2 3.47Å; M6-F441 VanDerWaalsContact CG-CE2 3.47Å; M6-F441 HydrophobicContact CG-CZ 3.99Å; M6-F441 WeakPolarHBondContact O-CZ 3.45Å; M6-F441 HydrophobicContact SD-CD2 3.8Å; M6-F441 HydrophobicContact SD-CE2 3.14Å; M6-F441 WeakPolarHBondContact SD-CE2 3.23Å; M6-F441 HydrophobicContact SD-CZ 3.95Å; M6-L445 HydrophobicContact CB-CD2 4.12Å
7H63.4Low61.7Low82 Ų8278.5 Ų78.538%0.3841%0.406SS..Hα-helixtrans-64.3-39176.1-175.374.8000112.8R3 I4 M9 T10 S11R3-H7 VanDerWaalsContact O-CB 3.32Å; R3-H7 WeakPolarHBondContact O-CB 3.2Å; R3-H7 PolarHBondContact O-N 3.41Å; I4-H7 PolarHBondContact O-N 2.96Å; I4-H7 VanDerWaalsContact O-N 3.16Å; H7-M9 VanDerWaalsContact C-N 3.3Å; H7-M9 PolarHBondContact O-N 2.53Å; H7-T10 PolarHBondContact O-N 2.94Å; H7-T10 PolarHBondContact O-OG1 2.86Å; H7-S11 WeakPolarHBondContact O-CB 3.43Å; H7-S11 PolarHBondContact O-N 2.82Å; H7-S11 PolarHBondContact O-OG 3.28Å
8L62.6Low62.6Low60 Ų6077.6 Ų77.631%0.31440%0.401SS..Hα-helixtrans-56.3-45.4173.5-93.8155.9000110.7I4 L5 M6 T10 S11 T12I4-L8 HydrophobicContact CG2-CD1 4.22Å; I4-L8 PolarHBondContact O-N 3.17Å; L5-L8 WeakPolarHBondContact O-CB 3.48Å; L5-L8 PolarHBondContact O-N 3.04Å; M6-L8 PolarHBondContact O-N 3.43Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 3.46Å; L8-S11 PolarHBondContact O-N 3.11Å; L8-S11 PolarHBondContact O-OG 2.85Å; L8-T12 HydrophobicContact CD2-CG2 4.26Å; L8-T12 WeakPolarHBondContact O-CB 3.41Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.03Å
9M59.7Low63.4Low34 Ų3473.6 Ų73.617%0.16738%0.381CS..Hα-helixtrans-63.7-32.1-179.4-71.2-16981.400115.2L5 M6 H7 A19 I37 L41L5-M9 WeakPolarHBondContact O-CG 3.44Å; L5-M9 PolarHBondContact O-N 3.05Å; M6-M9 PolarHBondContact O-N 3.45Å; H7-M9 VanDerWaalsContact C-N 3.3Å; H7-M9 PolarHBondContact O-N 2.53Å; M9-A19 HydrophobicContact CE-CB 4.09Å; M9-A19 HydrophobicContact CG-CB 4.44Å; M9-I37 HydrophobicContact CE-CB 4.3Å; M9-I37 HydrophobicContact CE-CD1 4.33Å; M9-I37 HydrophobicContact CE-CG1 3.33Å; M9-I37 HydrophobicContact CE-CG2 3.99Å; M9-I37 HydrophobicContact CG-CD1 4.26Å; M9-I37 HydrophobicContact CG-CG1 4.21Å; M9-I37 HydrophobicContact SD-CB 4.46Å; M9-I37 HydrophobicContact SD-CD1 3.47Å; M9-I37 WeakPolarHBondContact SD-CD1 3.29Å; M9-I37 HydrophobicContact SD-CG1 3.06Å; M9-I37 WeakPolarHBondContact SD-CG1 3.47Å; M9-L41 HydrophobicContact CE-CD1 3.71Å; M9-L41 HydrophobicContact SD-CD1 3.92Å; M9-L41 HydrophobicContact SD-CD2 4.27Å; M9-L41 HydrophobicContact SD-CG 4.22Å
10T54.7Low64.3Low73 Ų7371.4 Ų71.445%0.44837%0.37SS..Hα-helixtrans-87.7-33.1179.138.30000113.2M6 H7 L8 F441M6-T10 PolarHBondContact O-N 3.02Å; M6-T10 PolarHBondContact O-OG1 3.49Å; H7-T10 PolarHBondContact O-N 2.94Å; H7-T10 PolarHBondContact O-OG1 2.86Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 3.46Å; T10-F441 HydrophobicContact CG2-CD1 3.52Å; T10-F441 HydrophobicContact CG2-CE1 3.22Å; T10-F441 HydrophobicContact CG2-CZ 4.41Å
11S53.3Low65.3Low73 Ų7376.2 Ų76.251%0.5138%0.384SS..Hα-helixtrans-80.6-21.6-18056.10000112.6H7 L8H7-S11 WeakPolarHBondContact O-CB 3.43Å; H7-S11 PolarHBondContact O-N 2.82Å; H7-S11 PolarHBondContact O-OG 3.28Å; L8-S11 PolarHBondContact O-N 3.11Å; L8-S11 PolarHBondContact O-OG 2.85Å
12T54.5Low66.7Low50 Ų5074 Ų7431%0.30738%0.375SS..SBendtrans-119137-179.569.30000109.6L8 L14L8-T12 HydrophobicContact CD2-CG2 4.26Å; L8-T12 WeakPolarHBondContact O-CB 3.41Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.03Å; T12-L14 PolarHBondContact O-N 2.84Å; T12-L14 WeakPolarHBondContact OG1-CD1 2.99Å; T12-L14 WeakPolarHBondContact OG1-CG 3.34Å
13S57.9Low67.9Low136 Ų13669.9 Ų69.995%0.95135%0.353SS*.  trans-71.236.7175.2-39.50000112.2S15S13-S15 PolarHBondContact O-N 3.14Å
14L67.3Low69Low59 Ų5964.8 Ų64.831%0.30934%0.339SS..  trans-61.1129.4-178.8-82.5167.7000109.5T12 D18T12-L14 PolarHBondContact O-N 2.84Å; T12-L14 WeakPolarHBondContact OG1-CD1 2.99Å; T12-L14 WeakPolarHBondContact OG1-CG 3.34Å; L14-D18 HydrophobicContact CD2-CB 3.55Å
15S69.2Low70.1Confident53 Ų5366 Ų6637%0.37134%0.342SS..  trans-63.4156.1170.979.60000109.7S13 R17 D18 A19S13-S15 PolarHBondContact O-N 3.14Å; S15-R17 PolarHBondContact O-N 2.87Å; S15-R17 VanDerWaalsContact O-N 3.16Å; S15-R17 PolarHBondContact OG-N 3.19Å; S15-D18 WeakPolarHBondContact CB-OD2 3.41Å; S15-D18 PolarHBondContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 2.83Å; S15-D18 VanDerWaalsContact OG-N 3.1Å; S15-D18 PolarHBondContact OG-OD2 2.97Å; S15-A19 WeakPolarHBondContact O-CB 3.18Å; S15-A19 PolarHBondContact O-N 3.47Å
16I67.5Low71.2Confident23 Ų2368.4 Ų68.412%0.11835%0.353CS..Hα-helixtrans-55.1-35.9174.8-68.1173.5000110.8A19 D20 I37 R38I16-A19 PolarHBondContact O-N 3.35Å; I16-D20 WeakPolarHBondContact O-CB 3.35Å; I16-D20 PolarHBondContact O-N 3.33Å; I16-I37 HydrophobicContact CG2-CG2 3.84Å; I16-R38 HydrophobicContact CG2-CG 4.47Å
17R74.4Confident72.5Confident204 Ų20471.3 Ų71.377%0.7736%0.363SS*.Hα-helixtrans-65.9-42176.9-75.3-174.7-180-177.80.4112.3S15 D20 R21S15-R17 PolarHBondContact O-N 2.87Å; S15-R17 VanDerWaalsContact O-N 3.16Å; S15-R17 PolarHBondContact OG-N 3.19Å; R17-D20 PolarHBondContact O-N 2.98Å; R17-R21 WeakPolarHBondContact O-CG 3.18Å; R17-R21 PolarHBondContact O-N 2.61Å
18D78.3Confident73.6Confident62 Ų6274 Ų7433%0.33238%0.379SS..Hα-helixtrans-71.9-36.8178.4-57.6-44.9000110.7L14 S15 R21 V22L14-D18 HydrophobicContact CD2-CB 3.55Å; S15-D18 WeakPolarHBondContact CB-OD2 3.41Å; S15-D18 PolarHBondContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 2.83Å; S15-D18 VanDerWaalsContact OG-N 3.1Å; S15-D18 PolarHBondContact OG-OD2 2.97Å; D18-R21 WeakPolarHBondContact O-CB 3.14Å; D18-R21 PolarHBondContact O-N 3.24Å; D18-V22 VanDerWaalsContact O-CG2 3.29Å; D18-V22 WeakPolarHBondContact O-CG2 3.38Å; D18-V22 PolarHBondContact O-N 3.49Å
19A77Confident74.7Confident2 Ų276.4 Ų76.42%0.01740%0.396CS..Hα-helixtrans-64.7-39.9172.700000112M9 S15 I16 V22 L23 I37M9-A19 HydrophobicContact CE-CB 4.09Å; M9-A19 HydrophobicContact CG-CB 4.44Å; S15-A19 WeakPolarHBondContact O-CB 3.18Å; S15-A19 PolarHBondContact O-N 3.47Å; I16-A19 PolarHBondContact O-N 3.35Å; A19-V22 PolarHBondContact O-N 3.32Å; A19-L23 VanDerWaalsContact O-CB 3.24Å; A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 PolarHBondContact O-N 3.31Å; A19-I37 HydrophobicContact CB-CB 4.21Å; A19-I37 HydrophobicContact CB-CD1 4.45Å; A19-I37 HydrophobicContact CB-CG1 3.98Å; A19-I37 HydrophobicContact CB-CG2 4.17Å
20D82Confident75.9Confident30 Ų3077.1 Ų77.116%0.1640%0.402CS..Hα-helixtrans-63.6-39.1172.6-73.4-17.3000111.2I16 R17 L23 N24 S36 I37I16-D20 WeakPolarHBondContact O-CB 3.35Å; I16-D20 PolarHBondContact O-N 3.33Å; R17-D20 PolarHBondContact O-N 2.98Å; D20-L23 PolarHBondContact O-N 2.88Å; D20-N24 PolarHBondContact O-N 2.82Å; D20-N24 PolarHBondContact O-ND2 3.4Å; D20-S36 VanDerWaalsContact OD1-CA 3.27Å; D20-S36 WeakPolarHBondContact OD1-CA 3.5Å; D20-S36 PolarHBondContact OD1-OG 3.49Å; D20-S36 VanDerWaalsContact OD1-OG 3.11Å; D20-S36 PolarHBondContact OD2-OG 2.74Å; D20-I37 WeakPolarHBondContact OD1-CB 3.5Å; D20-I37 VanDerWaalsContact OD1-CG2 3.31Å; D20-I37 WeakPolarHBondContact OD1-CG2 3.44Å; D20-I37 PolarHBondContact OD1-N 3.08Å
21R85Confident77.3Confident173 Ų17377.9 Ų77.965%0.65341%0.409SS*.Hα-helixtrans-63-49.1173.5-77.2174.5173.6-179.2-5.3111.9R17 D18 L23 N24 E25R17-R21 WeakPolarHBondContact O-CG 3.18Å; R17-R21 PolarHBondContact O-N 2.61Å; D18-R21 WeakPolarHBondContact O-CB 3.14Å; D18-R21 PolarHBondContact O-N 3.24Å; R21-L23 VanDerWaalsContact C-N 3.27Å; R21-L23 PolarHBondContact O-N 3.2Å; R21-N24 WeakPolarHBondContact O-CB 3.29Å; R21-N24 PolarHBondContact O-N 2.8Å; R21-N24 VanDerWaalsContact O-N 3.13Å; R21-E25 PolarHBondContact O-N 2.85Å; R21-E25 VanDerWaalsContact O-N 3.08Å
22V84.8Confident78.8Confident45 Ų4581.7 Ų81.727%0.27342%0.423SS..Hα-helixtrans-59.4-41.9175.7170.60000110.4L5 D18 A19 N24 E25 F26L5-V22 HydrophobicContact CD2-CG1 4.12Å; D18-V22 VanDerWaalsContact O-CG2 3.29Å; D18-V22 WeakPolarHBondContact O-CG2 3.38Å; D18-V22 PolarHBondContact O-N 3.49Å; A19-V22 PolarHBondContact O-N 3.32Å; V22-N24 VanDerWaalsContact C-N 3.32Å; V22-N24 PolarHBondContact O-N 2.75Å; V22-E25 WeakPolarHBondContact O-CB 3.06Å; V22-E25 PolarHBondContact O-N 3Å; V22-F26 HydrophobicContact CG1-CD2 3.71Å; V22-F26 HydrophobicContact CG1-CE2 3.42Å; V22-F26 VanDerWaalsContact CG1-CE2 3.42Å; V22-F26 WeakPolarHBondContact O-CD2 3.18Å; V22-F26 PolarHBondContact O-N 3.22Å
23L84.3Confident80.1Confident0 Ų079.8 Ų79.80%041%0.411CS..Hα-helixtrans-62.2-39.5176.3-171.862.4000111.8L5 A19 D20 R21 E25 F26 R27 L33 P34 S36 I37 L40L5-L23 HydrophobicContact CD1-CD1 3.62Å; L5-L23 HydrophobicContact CD2-CB 4.43Å; L5-L23 HydrophobicContact CD2-CD1 3.99Å; L5-L23 HydrophobicContact CG-CD1 4.44Å; A19-L23 VanDerWaalsContact O-CB 3.24Å; A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 PolarHBondContact O-N 3.31Å; D20-L23 PolarHBondContact O-N 2.88Å; R21-L23 VanDerWaalsContact C-N 3.27Å; R21-L23 PolarHBondContact O-N 3.2Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 2.9Å; L23-F26 PolarHBondContact O-N 3.42Å; L23-R27 VanDerWaalsContact O-CG 3.31Å; L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.26Å; L23-L33 HydrophobicContact CD1-CB 4.17Å; L23-L33 HydrophobicContact CD1-CD1 4.15Å; L23-L33 HydrophobicContact CD1-CD2 4.38Å; L23-L33 HydrophobicContact CD1-CG 4.49Å; L23-P34 WeakPolarHBondContact CD2-O 3.27Å; L23-P34 WeakPolarHBondContact CG-O 3.18Å; L23-S36 VanDerWaalsContact CD2-C 3.42Å; L23-I37 HydrophobicContact CB-CD1 4.48Å; L23-I37 HydrophobicContact CD1-CD1 4.46Å; L23-I37 HydrophobicContact CD2-CB 4.32Å; L23-I37 HydrophobicContact CD2-CD1 4.03Å; L23-L40 HydrophobicContact CD1-CD2 4.13Å; L23-L40 HydrophobicContact CD2-CB 4.48Å
24N85.8Confident81.1Confident72 Ų7275.3 Ų75.339%0.38538%0.379SS..Hα-helixtrans-64-36.2174.8-76.7-34.3000112.9D20 R21 V22 R27D20-N24 PolarHBondContact O-N 2.82Å; D20-N24 PolarHBondContact O-ND2 3.4Å; R21-N24 WeakPolarHBondContact O-CB 3.29Å; R21-N24 PolarHBondContact O-N 2.8Å; R21-N24 VanDerWaalsContact O-N 3.13Å; V22-N24 VanDerWaalsContact C-N 3.32Å; V22-N24 PolarHBondContact O-N 2.75Å; N24-R27 WeakPolarHBondContact O-CB 3.5Å; N24-R27 PolarHBondContact O-N 3.29Å
25E86.8Confident81.8Confident132 Ų13276.5 Ų76.562%0.61739%0.389SS*.Hα-helixtrans-64.5-43.3171.5-64.1-58.6143.800111.2R21 V22 L23 R27 L28R21-E25 PolarHBondContact O-N 2.85Å; R21-E25 VanDerWaalsContact O-N 3.08Å; V22-E25 WeakPolarHBondContact O-CB 3.06Å; V22-E25 PolarHBondContact O-N 3Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 2.9Å; E25-R27 PolarHBondContact O-N 2.89Å; E25-L28 WeakPolarHBondContact O-CB 3.09Å; E25-L28 PolarHBondContact O-N 2.94Å; E25-L28 VanDerWaalsContact O-N 3.15Å
26F85.1Confident82.2Confident54 Ų5475 Ų7524%0.23738%0.378CS..Hα-helixtrans-64.9-28.1175.5-77.7-67.7000113.2M1 L5 V22 L23 L28 V29 V30 L33M1-F26 HydrophobicContact CE-CD1 3.94Å; M1-F26 HydrophobicContact CE-CE1 4.39Å; M1-F26 HydrophobicContact CG-CD1 4.27Å; M1-F26 HydrophobicContact SD-CB 4.19Å; M1-F26 HydrophobicContact SD-CD1 3.73Å; M1-F26 HydrophobicContact SD-CG 4.29Å; L5-F26 HydrophobicContact CD1-CB 3.95Å; L5-F26 HydrophobicContact CD1-CD2 3.58Å; L5-F26 HydrophobicContact CD1-CE2 4.2Å; L5-F26 HydrophobicContact CD1-CG 3.79Å; L5-F26 HydrophobicContact CD2-CD2 3.66Å; L5-F26 HydrophobicContact CD2-CE2 3.91Å; L5-F26 HydrophobicContact CG-CD2 3.54Å; L5-F26 HydrophobicContact CG-CE2 3.7Å; L5-F26 HydrophobicContact CG-CG 4.23Å; V22-F26 HydrophobicContact CG1-CD2 3.71Å; V22-F26 HydrophobicContact CG1-CE2 3.42Å; V22-F26 VanDerWaalsContact CG1-CE2 3.42Å; V22-F26 WeakPolarHBondContact O-CD2 3.18Å; V22-F26 PolarHBondContact O-N 3.22Å; L23-F26 PolarHBondContact O-N 3.42Å; F26-L28 PolarHBondContact O-N 3.04Å; F26-V29 PolarHBondContact O-N 2.77Å; F26-V30 PolarHBondContact O-N 3.16Å; F26-L33 HydrophobicContact CB-CD1 3.73Å
27R88.3Confident82.5Confident80 Ų8073.9 Ų73.930%0.30237%0.372SS..Hα-helixtrans-65.1-21.4175.2-76.2177.288.5-138.8-6.1113.5L23 N24 E25 V29 V30 P31 L33 P34L23-R27 VanDerWaalsContact O-CG 3.31Å; L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.26Å; N24-R27 WeakPolarHBondContact O-CB 3.5Å; N24-R27 PolarHBondContact O-N 3.29Å; E25-R27 PolarHBondContact O-N 2.89Å; R27-V29 PolarHBondContact O-N 2.85Å; R27-V30 WeakPolarHBondContact CA-O 3.34Å; R27-V30 CarbonylContact O-C 3.51Å; R27-P31 VanDerWaalsContact O-CA 3.32Å; R27-P31 WeakPolarHBondContact O-CA 3.42Å; R27-L33 WeakPolarHBondContact CD-O 3.37Å; R27-L33 HydrophobicContact CG-CB 3.64Å; R27-L33 PolarHBondContact NE-O 2.84Å; R27-P34 WeakPolarHBondContact CD-O 3.15Å
28L87.1Confident82.2Confident138 Ų13870 Ų7072%0.72336%0.358SS*.THydrogen-bonded Turntrans-65.4-27.8171.5-60.8174.3000112E25 F26E25-L28 WeakPolarHBondContact O-CB 3.09Å; E25-L28 PolarHBondContact O-N 2.94Å; E25-L28 VanDerWaalsContact O-N 3.15Å; F26-L28 PolarHBondContact O-N 3.04Å
29V86.6Confident82Confident111 Ų11170.4 Ų70.467%0.67337%0.366SS*.THydrogen-bonded Turntrans-99.6-32.8179.6-173.40000111.6M1 F26 R27M1-V29 HydrophobicContact CE-CG1 4.45Å; F26-V29 PolarHBondContact O-N 2.77Å; R27-V29 PolarHBondContact O-N 2.85Å
30V84.9Confident81.6Confident49 Ų4971.1 Ų71.130%0.29737%0.369SS..  trans-131.486.9178.9-175.20000109.5M1 F26 R27 D32 L33M1-V30 HydrophobicContact CE-CG2 3.87Å; M1-V30 HydrophobicContact SD-CB 3.95Å; M1-V30 HydrophobicContact SD-CG2 3.34Å; M1-V30 WeakPolarHBondContact SD-CG2 3.17Å; F26-V30 PolarHBondContact O-N 3.16Å; R27-V30 WeakPolarHBondContact CA-O 3.34Å; R27-V30 CarbonylContact O-C 3.51Å; V30-D32 PolarHBondContact O-N 3.39Å; V30-D32 VanDerWaalsContact O-N 3.12Å; V30-L33 HydrophobicContact CB-CD1 3.89Å; V30-L33 HydrophobicContact CB-CG 4.06Å; V30-L33 HydrophobicContact CG1-CD1 4.31Å; V30-L33 HydrophobicContact CG1-CG 3.93Å; V30-L33 WeakPolarHBondContact O-CB 3.24Å; V30-L33 PolarHBondContact O-N 3.15Å; V30-L33 VanDerWaalsContact O-N 3.12Å
31P83.7Confident80.7Confident89 Ų8970.4 Ų70.458%0.57837%0.365SS*.THydrogen-bonded Turntrans-58.3-28.6-172.3-26.234.8000114.6R27 L33R27-P31 VanDerWaalsContact O-CA 3.32Å; R27-P31 WeakPolarHBondContact O-CA 3.42Å; P31-L33 PolarHBondContact O-N 3.31Å
32D85.3Confident79.6Confident153 Ų15372.4 Ų72.482%0.81837%0.373SS*.THydrogen-bonded Turntrans-74.7-5.9-177.8-58.6-27.1000113.8V30V30-D32 PolarHBondContact O-N 3.39Å; V30-D32 VanDerWaalsContact O-N 3.12Å
33L81.2Confident78.1Confident10 Ų1072 Ų725%0.05237%0.371CS..SBendtrans-63.7141.8173.4-75.8169.5000110.1M1 N2 L5 L23 F26 R27 V30 P31 L40M1-L33 HydrophobicContact CG-CD1 4.38Å; M1-L33 HydrophobicContact SD-CD1 3.9Å; N2-L33 VanDerWaalsContact OD1-CD2 3.31Å; N2-L33 WeakPolarHBondContact OD1-CD2 3.48Å; L5-L33 HydrophobicContact CD1-CD1 4.06Å; L23-L33 HydrophobicContact CD1-CB 4.17Å; L23-L33 HydrophobicContact CD1-CD1 4.15Å; L23-L33 HydrophobicContact CD1-CD2 4.38Å; L23-L33 HydrophobicContact CD1-CG 4.49Å; F26-L33 HydrophobicContact CB-CD1 3.73Å; R27-L33 WeakPolarHBondContact CD-O 3.37Å; R27-L33 HydrophobicContact CG-CB 3.64Å; R27-L33 PolarHBondContact NE-O 2.84Å; V30-L33 HydrophobicContact CB-CD1 3.89Å; V30-L33 HydrophobicContact CB-CG 4.06Å; V30-L33 HydrophobicContact CG1-CD1 4.31Å; V30-L33 HydrophobicContact CG1-CG 3.93Å; V30-L33 WeakPolarHBondContact O-CB 3.24Å; V30-L33 PolarHBondContact O-N 3.15Å; V30-L33 VanDerWaalsContact O-N 3.12Å; P31-L33 PolarHBondContact O-N 3.31Å; L33-L40 HydrophobicContact CD2-CD1 3.87Å
34P79.6Confident76.5Confident42 Ų4277 Ų7727%0.27340%0.404SS..  trans-59.7152.4176.3-2334.4000112.4L23 R27 S36 L40L23-P34 WeakPolarHBondContact CD2-O 3.27Å; L23-P34 WeakPolarHBondContact CG-O 3.18Å; R27-P34 WeakPolarHBondContact CD-O 3.15Å; P34-S36 PolarHBondContact O-N 3.31Å; P34-L40 HydrophobicContact CG-CB 4.22Å; P34-L40 HydrophobicContact CG-CD1 4.1Å
35T80.4Confident75.2Confident85 Ų8575.9 Ų75.952%0.52140%0.4SS..SBendtrans-68.4-23.9177.148.90000113.6
36S79.2Confident74.3Confident20 Ų2073.4 Ų73.414%0.1440%0.398CS..SBendtrans-126.8140.7178.7-178.10000110.7D20 L23 P34 R38 S39 L40D20-S36 VanDerWaalsContact OD1-CA 3.27Å; D20-S36 WeakPolarHBondContact OD1-CA 3.5Å; D20-S36 PolarHBondContact OD1-OG 3.49Å; D20-S36 VanDerWaalsContact OD1-OG 3.11Å; D20-S36 PolarHBondContact OD2-OG 2.74Å; L23-S36 VanDerWaalsContact CD2-C 3.42Å; P34-S36 PolarHBondContact O-N 3.31Å; S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 3.2Å; S36-S39 WeakPolarHBondContact O-CA 3.43Å; S36-S39 WeakPolarHBondContact O-CB 3.37Å; S36-S39 PolarHBondContact O-N 3.26Å; S36-L40 PolarHBondContact O-N 3.28Å
37I72.9Confident74.1Confident0 Ų072 Ų720%039%0.393CS..Hα-helixtrans-59.8-27174.4-153.469.2000111.7L5 M9 I16 A19 D20 L23 L40 L41L5-I37 HydrophobicContact CD2-CD1 4.25Å; M9-I37 HydrophobicContact CE-CB 4.3Å; M9-I37 HydrophobicContact CE-CD1 4.33Å; M9-I37 HydrophobicContact CE-CG1 3.33Å; M9-I37 HydrophobicContact CE-CG2 3.99Å; M9-I37 HydrophobicContact CG-CD1 4.26Å; M9-I37 HydrophobicContact CG-CG1 4.21Å; M9-I37 HydrophobicContact SD-CB 4.46Å; M9-I37 HydrophobicContact SD-CD1 3.47Å; M9-I37 WeakPolarHBondContact SD-CD1 3.29Å; M9-I37 HydrophobicContact SD-CG1 3.06Å; M9-I37 WeakPolarHBondContact SD-CG1 3.47Å; I16-I37 HydrophobicContact CG2-CG2 3.84Å; A19-I37 HydrophobicContact CB-CB 4.21Å; A19-I37 HydrophobicContact CB-CD1 4.45Å; A19-I37 HydrophobicContact CB-CG1 3.98Å; A19-I37 HydrophobicContact CB-CG2 4.17Å; D20-I37 WeakPolarHBondContact OD1-CB 3.5Å; D20-I37 VanDerWaalsContact OD1-CG2 3.31Å; D20-I37 WeakPolarHBondContact OD1-CG2 3.44Å; D20-I37 PolarHBondContact OD1-N 3.08Å; L23-I37 HydrophobicContact CB-CD1 4.48Å; L23-I37 HydrophobicContact CD1-CD1 4.46Å; L23-I37 HydrophobicContact CD2-CB 4.32Å; L23-I37 HydrophobicContact CD2-CD1 4.03Å; I37-L40 HydrophobicContact CD1-CB 4.38Å; I37-L40 HydrophobicContact CD1-CD2 3.64Å; I37-L40 WeakPolarHBondContact O-CB 3.46Å; I37-L40 PolarHBondContact O-N 3.38Å; I37-L41 HydrophobicContact CG1-CD1 4.43Å; I37-L41 VanDerWaalsContact O-CB 3.27Å; I37-L41 WeakPolarHBondContact O-CB 3.31Å; I37-L41 WeakPolarHBondContact O-CG 2.95Å; I37-L41 PolarHBondContact O-N 3.46Å
38R68.9Low74Confident122 Ų12275 Ų7546%0.4641%0.41SS..Hα-helixtrans-62.4-45.5172.2-65.2-170.1-175.9102.5-4111.4I16 S36 L40 L41 R42 T43I16-R38 HydrophobicContact CG2-CG 4.47Å; S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 3.2Å; R38-L40 VanDerWaalsContact C-N 3.33Å; R38-L41 PolarHBondContact O-N 3.43Å; R38-R42 PolarHBondContact O-N 3.36Å; R38-R42 VanDerWaalsContact O-N 3.1Å; R38-T43 HydrophobicContact CB-CG2 4.5Å; R38-T43 PolarHBondContact O-N 3.49Å; R38-T43 PolarHBondContact O-OG1 3.03Å; R38-T43 VanDerWaalsContact O-OG1 3.13Å
39S73.2Confident74.3Confident72 Ų7271.7 Ų71.750%0.50340%0.398SS..Hα-helixtrans-65.2-39.5175.7-56.60000111S36 L41 R42S36-S39 WeakPolarHBondContact O-CA 3.43Å; S36-S39 WeakPolarHBondContact O-CB 3.37Å; S36-S39 PolarHBondContact O-N 3.26Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 3.03Å; S39-R42 PolarHBondContact O-N 3.01Å
40L69.3Low74.6Confident16 Ų1670.2 Ų70.28%0.08438%0.382CS..Hα-helixtrans-60.9-42.6173.9-170.375.9000112.1N2 L5 M6 L23 L33 P34 S36 I37 R38 R42N2-L40 WeakPolarHBondContact OD1-CD1 3.33Å; L5-L40 HydrophobicContact CB-CD2 4.35Å; M6-L40 HydrophobicContact CE-CD2 4.46Å; M6-L40 HydrophobicContact CE-CG 4.2Å; M6-L40 HydrophobicContact SD-CD2 4.04Å; M6-L40 HydrophobicContact SD-CG 4.41Å; L23-L40 HydrophobicContact CD1-CD2 4.13Å; L23-L40 HydrophobicContact CD2-CB 4.48Å; L33-L40 HydrophobicContact CD2-CD1 3.87Å; P34-L40 HydrophobicContact CG-CB 4.22Å; P34-L40 HydrophobicContact CG-CD1 4.1Å; S36-L40 PolarHBondContact O-N 3.28Å; I37-L40 HydrophobicContact CD1-CB 4.38Å; I37-L40 HydrophobicContact CD1-CD2 3.64Å; I37-L40 WeakPolarHBondContact O-CB 3.46Å; I37-L40 PolarHBondContact O-N 3.38Å; R38-L40 VanDerWaalsContact C-N 3.33Å; L40-R42 VanDerWaalsContact C-N 3.25Å; L40-R42 PolarHBondContact O-N 3.3Å
41L63.7Low74.9Confident16 Ų1673 Ų738%0.08440%0.404CS..Hα-helixtrans-75.3-10.3-179.4-74.6170.8000113.7M6 M9 I37 R38 S39 T43 F441 R444M6-L41 HydrophobicContact CE-CD2 3.79Å; M6-L41 HydrophobicContact CE-CG 4.5Å; M6-L41 HydrophobicContact SD-CD2 3.46Å; M6-L41 WeakPolarHBondContact SD-CD2 3.32Å; M6-L41 HydrophobicContact SD-CG 4.26Å; M9-L41 HydrophobicContact CE-CD1 3.71Å; M9-L41 HydrophobicContact SD-CD1 3.92Å; M9-L41 HydrophobicContact SD-CD2 4.27Å; M9-L41 HydrophobicContact SD-CG 4.22Å; I37-L41 HydrophobicContact CG1-CD1 4.43Å; I37-L41 VanDerWaalsContact O-CB 3.27Å; I37-L41 WeakPolarHBondContact O-CB 3.31Å; I37-L41 WeakPolarHBondContact O-CG 2.95Å; I37-L41 PolarHBondContact O-N 3.46Å; R38-L41 PolarHBondContact O-N 3.43Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 3.03Å; L41-T43 VanDerWaalsContact C-N 3.31Å; L41-T43 HydrophobicContact CB-CG2 3.48Å; L41-T43 VanDerWaalsContact CB-CG2 3.48Å; L41-T43 HydrophobicContact CD1-CG2 4.22Å; L41-T43 PolarHBondContact O-N 2.88Å; L41-F441 HydrophobicContact CD2-CB 4.48Å; L41-F441 HydrophobicContact CD2-CD2 3.48Å; L41-F441 VanDerWaalsContact CD2-CD2 3.48Å; L41-F441 HydrophobicContact CD2-CE2 4.01Å; L41-F441 HydrophobicContact CD2-CG 4.04Å; L41-R444 PolarHBondContact O-NH1 3.18Å; L41-R444 PolarHBondContact O-NH2 3.18Å
42R60.3Low75.2Confident214 Ų21469.8 Ų69.881%0.80838%0.382SS*.THydrogen-bonded Turntrans5051.1-173-61.8-175.7178.6-175.1-1.1111.3R38 S39 L40 C44R38-R42 PolarHBondContact O-N 3.36Å; R38-R42 VanDerWaalsContact O-N 3.1Å; S39-R42 PolarHBondContact O-N 3.01Å; L40-R42 VanDerWaalsContact C-N 3.25Å; L40-R42 PolarHBondContact O-N 3.3Å; R42-C44 VanDerWaalsContact C-N 3.35Å; R42-C44 PolarHBondContact O-N 2.66Å
43T53.5Low74.9Confident37 Ų3766.5 Ų66.523%0.22737%0.371CS..  trans-72.869.4-169.449.80000114.5R38 L41 E437R38-T43 HydrophobicContact CB-CG2 4.5Å; R38-T43 PolarHBondContact O-N 3.49Å; R38-T43 PolarHBondContact O-OG1 3.03Å; R38-T43 VanDerWaalsContact O-OG1 3.13Å; L41-T43 VanDerWaalsContact C-N 3.31Å; L41-T43 HydrophobicContact CB-CG2 3.48Å; L41-T43 VanDerWaalsContact CB-CG2 3.48Å; L41-T43 HydrophobicContact CD1-CG2 4.22Å; L41-T43 PolarHBondContact O-N 2.88Å; T43-E437 WeakPolarHBondContact CB-OE1 3.47Å; T43-E437 HydrophobicContact CG2-CG 3.93Å
44C51.3Low75.1Confident105 Ų10567.3 Ų67.371%0.70938%0.377SS*.  trans-144.172.2161.6-158.30000111.7R42 S46R42-C44 VanDerWaalsContact C-N 3.35Å; R42-C44 PolarHBondContact O-N 2.66Å; C44-S46 PolarHBondContact O-N 3.24Å
45T59Low75.7Confident49 Ų4966.2 Ų66.230%0.30137%0.374SS..  trans-83.6101.1159.538.90000107.8V47 A436T45-V47 PolarHBondContact O-N 3.17Å; T45-V47 VanDerWaalsContact O-N 3.09Å; T45-A436 WeakPolarHBondContact OG1-CB 3.43Å
46S67.3Low76.4Confident80 Ų8064.3 Ų64.356%0.55936%0.361SS*.  trans-69.8104.1171.761.90000108.9C44C44-S46 PolarHBondContact O-N 3.24Å
47V80.5Confident77.1Confident23 Ų2363.3 Ų63.314%0.13936%0.355CS..PPolyproline II helixtrans-77.9122.1168.5-170.80000107.6T45 Y58 L60 A432 A436T45-V47 PolarHBondContact O-N 3.17Å; T45-V47 VanDerWaalsContact O-N 3.09Å; V47-Y58 HydrophobicContact CB-CD1 4.12Å; V47-Y58 HydrophobicContact CG1-CD1 3.93Å; V47-Y58 HydrophobicContact CG1-CG 4.46Å; V47-L60 HydrophobicContact CG1-CD2 3.91Å; V47-L60 HydrophobicContact CG2-CD2 3.93Å; V47-A432 HydrophobicContact CB-CB 4.43Å; V47-A432 HydrophobicContact CG1-CB 4.4Å; V47-A432 HydrophobicContact CG2-CB 4.35Å; V47-A436 HydrophobicContact CG2-CB 3.73Å
48Q87.5Confident78.2Confident143 Ų14364.3 Ų64.367%0.66836%0.359SS*.PPolyproline II helixtrans-70.6126.4-176.8-66.1-61-22.400110.2
49P92.2Very high79.5Confident70 Ų7060.9 Ų60.946%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-75.4141.9175.930.1-32.3000111.1V56 Y58P49-V56 HydrophobicContact CB-CG1 3.49Å; P49-V56 VanDerWaalsContact CB-CG1 3.49Å; P49-Y58 HydrophobicContact CB-CD1 4.36Å; P49-Y58 HydrophobicContact CB-CE1 3.66Å
50K92.8Very high80.5Confident80 Ų8058.7 Ų58.735%0.34833%0.33SS..EExtended strand (participates in β ladder)trans-108.6108.8165.5-172.6176.2-176.3175.70108I52 Y57 D137K50-I52 HydrophobicContact CG-CG2 4.2Å; K50-I52 PolarHBondContact O-N 2.87Å; K50-Y57 HydrophobicContact CD-CD1 4.37Å; K50-Y57 PolarHBondContact N-O 2.91Å; K50-Y57 PolarHBondContact O-N 3.14Å; K50-D137 IonicContact NZ-OD1 2.95Å; K50-D137 PolarHBondContact NZ-OD1 2.8Å; K50-D137 IonicContact NZ-OD2 3.76Å; K50-D137 PolarHBondContact NZ-OD2 3.37Å
51S91Very high81.6Confident108 Ų10858.2 Ų58.276%0.75533%0.329SS*.EExtended strand (participates in β ladder)trans-67.2122.6173.2-61.80000109.1
52I89.9Confident83.2Confident21 Ų2157.5 Ų57.511%0.10833%0.325CS..EExtended strand (participates in β ladder)trans-120.6165.717570.9169.9000109.4K50 S54 G55 Y122 E133 I134K50-I52 HydrophobicContact CG-CG2 4.2Å; K50-I52 PolarHBondContact O-N 2.87Å; I52-S54 PolarHBondContact O-N 3.14Å; I52-G55 PolarHBondContact N-O 3.48Å; I52-G55 PolarHBondContact O-N 3.07Å; I52-G55 VanDerWaalsContact O-N 3.12Å; I52-Y122 HydrophobicContact CD1-CD2 3.35Å; I52-Y122 HydrophobicContact CD1-CE2 3.53Å; I52-Y122 HydrophobicContact CD1-CG 4.42Å; I52-Y122 HydrophobicContact CG1-CD2 3.86Å; I52-Y122 HydrophobicContact CG1-CE2 3.72Å; I52-E133 HydrophobicContact CB-CB 4.27Å; I52-E133 WeakPolarHBondContact CB-OE2 3.47Å; I52-E133 HydrophobicContact CD1-CB 4.17Å; I52-E133 HydrophobicContact CG2-CB 4.25Å; I52-I134 HydrophobicContact CD1-CG2 3.41Å; I52-I134 VanDerWaalsContact CD1-CG2 3.41Å
53S78.5Confident84.8Confident84 Ų8450.5 Ų50.559%0.58730%0.301SS*.THydrogen-bonded Turntrans-52.2-26.1-165.554.40000115.8E133S53-E133 WeakPolarHBondContact CB-OE2 3.49Å; S53-E133 PolarHBondContact N-OE2 3.39Å; S53-E133 VanDerWaalsContact N-OE2 3.07Å; S53-E133 PolarHBondContact OG-OE1 3.47Å; S53-E133 PolarHBondContact OG-OE2 3.18Å
54S86.6Confident86.7Confident26 Ų2652 Ų5218%0.18231%0.31CS..THydrogen-bonded Turntrans-119.4-1.8-173.938.40000114.7I52 Y122 P128 A129I52-S54 PolarHBondContact O-N 3.14Å; S54-Y122 VanDerWaalsContact CB-OH 3.29Å; S54-Y122 WeakPolarHBondContact CB-OH 3.36Å; S54-Y122 PolarHBondContact O-OH 2.71Å; S54-Y122 PolarHBondContact OG-OH 3.16Å; S54-P128 WeakPolarHBondContact OG-CA 3.46Å; S54-A129 PolarHBondContact OG-N 2.69Å
55G92.2Very high88.7Confident20 Ų2047 Ų4721%0.20628%0.277CS..EExtended strand (participates in β ladder)trans170.8-150.8-174.700000113.4I52 G123I52-G55 PolarHBondContact N-O 3.48Å; I52-G55 PolarHBondContact O-N 3.07Å; I52-G55 VanDerWaalsContact O-N 3.12Å; G55-G123 WeakPolarHBondContact CA-O 3.39Å
56V94Very high90.5Very high44 Ų4444.8 Ų44.827%0.26726%0.263SS..EExtended strand (participates in β ladder)trans-124.4130.8-177.7-174.10000109.6P49 Y58 Y122 G123P49-V56 HydrophobicContact CB-CG1 3.49Å; P49-V56 VanDerWaalsContact CB-CG1 3.49Å; V56-Y58 HydrophobicContact CB-CE2 4.21Å; V56-Y58 HydrophobicContact CG1-CD2 4.26Å; V56-Y58 HydrophobicContact CG1-CE1 4.46Å; V56-Y58 HydrophobicContact CG1-CE2 3.6Å; V56-Y122 WeakPolarHBondContact O-CA 3.09Å; V56-G123 PolarHBondContact N-O 2.84Å; V56-G123 PolarHBondContact O-N 2.91Å
57Y95.2Very high91.8Very high0 Ų042.8 Ų42.80%025%0.245CC..EExtended strand (participates in β ladder)trans-106.3138173.6-178.8-117.3000110.6K50 H59 V104 I121 I134K50-Y57 HydrophobicContact CD-CD1 4.37Å; K50-Y57 PolarHBondContact N-O 2.91Å; K50-Y57 PolarHBondContact O-N 3.14Å; Y57-H59 HydrophobicContact CD1-CB 4.3Å; Y57-H59 HydrophobicContact CE1-CB 3.69Å; Y57-H59 PolarHBondContact OH-ND1 2.72Å; Y57-V104 HydrophobicContact CE2-CG2 4.49Å; Y57-I121 WeakPolarHBondContact CD2-O 3.38Å; Y57-I134 HydrophobicContact CD2-CB 4.18Å; Y57-I134 HydrophobicContact CD2-CG2 4.17Å; Y57-I134 HydrophobicContact CE2-CB 4.23Å; Y57-I134 PolarHBondContact OH-O 2.87Å; Y57-I134 VanDerWaalsContact OH-O 3.1Å
58Y95.4Very high92.3Very high20 Ų2044.8 Ų44.88%0.07825%0.251CS..EExtended strand (participates in β ladder)trans-117.2109.7173.7-65.9-87.8000108.2V47 P49 V56 G120 I121 A428 K429 A432V47-Y58 HydrophobicContact CB-CD1 4.12Å; V47-Y58 HydrophobicContact CG1-CD1 3.93Å; V47-Y58 HydrophobicContact CG1-CG 4.46Å; P49-Y58 HydrophobicContact CB-CD1 4.36Å; P49-Y58 HydrophobicContact CB-CE1 3.66Å; V56-Y58 HydrophobicContact CB-CE2 4.21Å; V56-Y58 HydrophobicContact CG1-CD2 4.26Å; V56-Y58 HydrophobicContact CG1-CE1 4.46Å; V56-Y58 HydrophobicContact CG1-CE2 3.6Å; Y58-G120 CarbonylContact O-C 3.53Å; Y58-G120 WeakPolarHBondContact O-CA 3.34Å; Y58-I121 PolarHBondContact N-O 3.27Å; Y58-I121 PolarHBondContact O-N 3.33Å; Y58-A428 HydrophobicContact CD2-CB 3.98Å; Y58-A428 HydrophobicContact CE2-CB 4.07Å; Y58-K429 HydrophobicContact CE1-CB 4.34Å; Y58-K429 HydrophobicContact CE1-CG 4.18Å; Y58-K429 HydrophobicContact CE2-CB 3.93Å; Y58-K429 WeakPolarHBondContact OH-CB 3.39Å; Y58-A432 HydrophobicContact CD1-CB 4.26Å; Y58-A432 HydrophobicContact CD2-CB 4.39Å; Y58-A432 HydrophobicContact CG-CB 3.84Å
59H95.6Very high92.6Very high50 Ų5040 Ų4023%0.23123%0.226CC..EExtended strand (participates in β ladder)trans-88.8126.4175.5-171.561.2000109.9Y57 G61 I119 D137 E141Y57-H59 HydrophobicContact CD1-CB 4.3Å; Y57-H59 HydrophobicContact CE1-CB 3.69Å; Y57-H59 PolarHBondContact OH-ND1 2.72Å; H59-G61 WeakPolarHBondContact NE2-CA 3.23Å; H59-I119 PolarHBondContact ND1-O 3.25Å; H59-D137 HydrophobicContact CB-CB 4.46Å; H59-E141 IonicContact CE1-OE2 3.79Å; H59-E141 PolarHBondContact CE1-OE2 2.96Å; H59-E141 IonicContact NE2-OE1 3.29Å; H59-E141 IonicContact NE2-OE2 3.88Å; H59-E141 PolarHBondContact NE2-OE2 3.21Å
60L94.1Very high92.7Very high27 Ų2736.6 Ų36.614%0.14121%0.205CC..  trans-104.2-11.3-177.1-63.9161.4000112.4V47 M118 I119 A432 Y435 A436V47-L60 HydrophobicContact CG1-CD2 3.91Å; V47-L60 HydrophobicContact CG2-CD2 3.93Å; L60-M118 HydrophobicContact CD1-CB 3.84Å; L60-M118 HydrophobicContact CD1-CG 3.59Å; L60-M118 HydrophobicContact CD1-SD 3.41Å; L60-M118 WeakPolarHBondContact CD1-SD 3.35Å; L60-I119 WeakPolarHBondContact CA-O 3.4Å; L60-I119 WeakPolarHBondContact CB-O 3.44Å; L60-I119 PolarHBondContact N-O 3.34Å; L60-A432 HydrophobicContact CD2-CB 4.29Å; L60-Y435 HydrophobicContact CB-CD1 4.39Å; L60-Y435 HydrophobicContact CB-CE1 4.42Å; L60-Y435 HydrophobicContact CD1-CD1 3.56Å; L60-Y435 HydrophobicContact CD1-CE1 4.16Å; L60-Y435 HydrophobicContact CD1-CG 4.08Å; L60-Y435 HydrophobicContact CD2-CD1 4.16Å; L60-Y435 HydrophobicContact CG-CD1 4.25Å; L60-A436 HydrophobicContact CD2-CB 4.44Å
61G92.9Very high92.6Very high6 Ų635.7 Ų35.76%0.06220%0.202CC..  trans91.8115.1174.900000113.3H59 N65 I119 E141H59-G61 WeakPolarHBondContact NE2-CA 3.23Å; G61-N65 PolarHBondContact O-N 2.83Å; G61-N65 PolarHBondContact O-ND2 2.92Å; G61-I119 PolarHBondContact N-O 3.29Å; G61-E141 WeakPolarHBondContact CA-OE1 3.45Å
62L96.5Very high92.6Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-67.6-48.1169.4174.660.7000109.9T64 N65 L66 L84 F117 I119 T138 E141 I142 M145L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 3.03Å; L62-N65 PolarHBondContact O-N 3.43Å; L62-N65 VanDerWaalsContact O-N 3.12Å; L62-L66 HydrophobicContact CD1-CD1 3.87Å; L62-L66 HydrophobicContact CD1-CD2 4.13Å; L62-L66 HydrophobicContact CD1-CG 3.78Å; L62-L66 HydrophobicContact CD2-CD1 4.47Å; L62-L66 HydrophobicContact CG-CD1 3.89Å; L62-L66 HydrophobicContact CG-CG 4.17Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.95Å; L62-L84 HydrophobicContact CD1-CD1 4.31Å; L62-L84 HydrophobicContact CD1-CD2 3.85Å; L62-L84 HydrophobicContact CD2-CD2 3.77Å; L62-L84 HydrophobicContact CG-CD2 4.39Å; L62-F117 HydrophobicContact CD1-CE2 3.86Å; L62-F117 HydrophobicContact CD1-CZ 4.12Å; L62-I119 HydrophobicContact CB-CG1 4.38Å; L62-I119 HydrophobicContact CB-CG2 3.85Å; L62-I119 HydrophobicContact CD1-CD1 3.78Å; L62-I119 HydrophobicContact CD1-CG1 3.96Å; L62-T138 HydrophobicContact CD2-CG2 4.32Å; L62-E141 HydrophobicContact CB-CB 4.41Å; L62-E141 WeakPolarHBondContact CB-OE2 3.4Å; L62-E141 VanDerWaalsContact N-CD 3.32Å; L62-E141 PolarHBondContact N-OE1 2.79Å; L62-E141 PolarHBondContact N-OE2 2.81Å; L62-I142 HydrophobicContact CD2-CD1 4.13Å; L62-I142 HydrophobicContact CD2-CG1 3.44Å; L62-I142 VanDerWaalsContact CD2-CG1 3.44Å; L62-M145 HydrophobicContact CD2-CE 3.64Å; L62-M145 HydrophobicContact CG-CE 3.89Å
63K95.3Very high92.7Very high67 Ų6735.3 Ų35.329%0.29118%0.182SC..Hα-helixtrans-56.9-46.5-175.4-173.8175.9-178174.90111.2N65 L66 L67 E141 E144 M145 L150K63-N65 PolarHBondContact O-N 3Å; K63-L66 PolarHBondContact O-N 2.98Å; K63-L67 HydrophobicContact CG-CD1 4.13Å; K63-L67 WeakPolarHBondContact O-CB 3.31Å; K63-L67 PolarHBondContact O-N 2.83Å; K63-E141 WeakPolarHBondContact CB-OE1 3.47Å; K63-E141 PolarHBondContact N-OE1 3.04Å; K63-E144 IonicContact NZ-OE1 3.82Å; K63-E144 PolarHBondContact NZ-OE1 3.25Å; K63-M145 HydrophobicContact CB-SD 4.16Å; K63-M145 HydrophobicContact CG-SD 4.1Å; K63-L150 HydrophobicContact CD-CD1 4.44Å; K63-L150 HydrophobicContact CG-CD1 3.63Å
64T92.7Very high93.5Very high69 Ų6932.2 Ų32.242%0.42316%0.159SC..Hα-helixtrans-60.8-44.8177.6-53.90000112.2L62 R68L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 3.03Å; T64-R68 PolarHBondContact O-N 2.84Å
65N94.3Very high93.7Very high1 Ų133.7 Ų33.71%0.00517%0.169CC..Hα-helixtrans-65.8-43.4178.3-78.4-59.3000111.7G61 L62 K63 R68 Y69 F117 M118 Y435G61-N65 PolarHBondContact O-N 2.83Å; G61-N65 PolarHBondContact O-ND2 2.92Å; L62-N65 PolarHBondContact O-N 3.43Å; L62-N65 VanDerWaalsContact O-N 3.12Å; K63-N65 PolarHBondContact O-N 3Å; N65-R68 PolarHBondContact O-N 3.09Å; N65-R68 PolarHBondContact OD1-NH1 3.29Å; N65-Y69 VanDerWaalsContact O-CD2 3.28Å; N65-Y69 WeakPolarHBondContact O-CD2 3.49Å; N65-Y69 PolarHBondContact O-N 3.48Å; N65-F117 HydrophobicContact CB-CD2 3.63Å; N65-F117 HydrophobicContact CB-CE2 3.76Å; N65-F117 HydrophobicContact CB-CG 4.32Å; N65-M118 PolarHBondContact ND2-O 3.17Å; N65-M118 VanDerWaalsContact ND2-O 3.07Å; N65-Y435 PolarHBondContact OD1-OH 3.44Å
66L96Very high93.6Very high1 Ų136.3 Ų36.31%0.00518%0.181CC..Hα-helixtrans-62.9-43.6178-65.9-177.1000111.9L62 K63 R68 Y69 V70 L84 I108 F117 M145 L150 I161L62-L66 HydrophobicContact CD1-CD1 3.87Å; L62-L66 HydrophobicContact CD1-CD2 4.13Å; L62-L66 HydrophobicContact CD1-CG 3.78Å; L62-L66 HydrophobicContact CD2-CD1 4.47Å; L62-L66 HydrophobicContact CG-CD1 3.89Å; L62-L66 HydrophobicContact CG-CG 4.17Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.95Å; K63-L66 PolarHBondContact O-N 2.98Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 2.9Å; L66-Y69 PolarHBondContact O-N 2.85Å; L66-Y69 VanDerWaalsContact O-N 3.1Å; L66-V70 WeakPolarHBondContact O-CG2 3.21Å; L66-V70 PolarHBondContact O-N 3.42Å; L66-L84 HydrophobicContact CD2-CD1 4.25Å; L66-I108 HydrophobicContact CD2-CD1 3.81Å; L66-I108 HydrophobicContact CD2-CG1 3.77Å; L66-F117 HydrophobicContact CD2-CE1 4.45Å; L66-F117 HydrophobicContact CD2-CZ 3.79Å; L66-M145 HydrophobicContact CD1-CE 3.74Å; L66-M145 HydrophobicContact CD1-SD 3.89Å; L66-L150 HydrophobicContact CB-CD2 3.51Å; L66-L150 HydrophobicContact CD1-CD2 4.46Å; L66-I161 HydrophobicContact CD1-CD1 4.2Å; L66-I161 HydrophobicContact CD1-CG1 4.47Å; L66-I161 HydrophobicContact CD1-CG2 4.28Å
67L94.3Very high93.4Very high38 Ų3836.8 Ų36.820%0.19919%0.185CC..Hα-helixtrans-54.7-43.2177.1-98.7151.7000112.4K63 Y69 V70 E71 L150 L151K63-L67 HydrophobicContact CG-CD1 4.13Å; K63-L67 WeakPolarHBondContact O-CB 3.31Å; K63-L67 PolarHBondContact O-N 2.83Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.88Å; L67-V70 PolarHBondContact O-N 3.12Å; L67-E71 HydrophobicContact CD2-CG 4.48Å; L67-E71 WeakPolarHBondContact O-CB 3.39Å; L67-E71 WeakPolarHBondContact O-CG 3.48Å; L67-E71 PolarHBondContact O-N 3.26Å; L67-L150 HydrophobicContact CD1-CD1 3.8Å; L67-L150 HydrophobicContact CG-CD1 3.76Å; L67-L150 HydrophobicContact CG-CD2 4.25Å; L67-L150 HydrophobicContact CG-CG 4.11Å; L67-L151 WeakPolarHBondContact CD2-O 3.46Å
68R91.4Very high93.3Very high66 Ų6642.1 Ų42.125%0.24921%0.214CC..Hα-helixtrans-57.4-45.4176.3-70.8176.3174.9125.56.4112.4T64 N65 L66 R72 D443T64-R68 PolarHBondContact O-N 2.84Å; N65-R68 PolarHBondContact O-N 3.09Å; N65-R68 PolarHBondContact OD1-NH1 3.29Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 2.9Å; R68-R72 VanDerWaalsContact O-CB 3.28Å; R68-R72 WeakPolarHBondContact O-CB 3.36Å; R68-R72 PolarHBondContact O-N 3.28Å; R68-D443 WeakPolarHBondContact CD-OD1 2.91Å; R68-D443 IonicContact CZ-OD1 3.23Å; R68-D443 IonicContact CZ-OD2 3.08Å; R68-D443 IonicContact NE-OD1 2.7Å; R68-D443 PolarHBondContact NE-OD1 2.71Å; R68-D443 IonicContact NE-OD2 3.75Å; R68-D443 PolarHBondContact NE-OD2 2.99Å; R68-D443 VanDerWaalsContact NE-OD2 3.13Å; R68-D443 IonicContact NH2-OD1 2.75Å; R68-D443 IonicContact NH2-OD2 3.4Å; R68-D443 PolarHBondContact NH2-OD2 3.07Å
69Y93.6Very high93.4Very high41 Ų4141.9 Ų41.916%0.16121%0.213CC..Hα-helixtrans-68.3-44.2177.2-75.8-74.8000111.6N65 L66 L67 R72 W73 I108 F117N65-Y69 VanDerWaalsContact O-CD2 3.28Å; N65-Y69 WeakPolarHBondContact O-CD2 3.49Å; N65-Y69 PolarHBondContact O-N 3.48Å; L66-Y69 PolarHBondContact O-N 2.85Å; L66-Y69 VanDerWaalsContact O-N 3.1Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.88Å; Y69-R72 PolarHBondContact O-N 2.96Å; Y69-W73 AromaticContact CD1-CE2 3.92Å; Y69-W73 HydrophobicContact CD1-CH2 4.29Å; Y69-W73 AromaticContact CD1-CZ2 3.65Å; Y69-W73 HydrophobicContact CD1-CZ2 3.65Å; Y69-W73 HydrophobicContact CE1-CZ2 4.3Å; Y69-W73 HydrophobicContact CG-CZ2 4.43Å; Y69-W73 WeakPolarHBondContact O-CB 3.46Å; Y69-W73 VanDerWaalsContact O-CG 3.26Å; Y69-W73 PolarHBondContact O-N 3.39Å; Y69-I108 HydrophobicContact CD2-CD1 3.82Å; Y69-I108 HydrophobicContact CG-CD1 3.72Å; Y69-F117 HydrophobicContact CD2-CD1 4.44Å; Y69-F117 HydrophobicContact CD2-CE1 4.47Å; Y69-F117 AromaticContact CE2-CD1 3.64Å; Y69-F117 HydrophobicContact CE2-CD1 3.64Å; Y69-F117 HydrophobicContact CE2-CE1 4.08Å; Y69-F117 HydrophobicContact CE2-CG 4.27Å
70V93.6Very high93.4Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-57.4-55.1179167.90000111L66 L67 R72 W73 L74 F79 L82 L150 I159L66-V70 WeakPolarHBondContact O-CG2 3.21Å; L66-V70 PolarHBondContact O-N 3.42Å; L67-V70 PolarHBondContact O-N 3.12Å; V70-R72 VanDerWaalsContact C-N 3.27Å; V70-R72 PolarHBondContact O-N 3.14Å; V70-W73 PolarHBondContact O-N 2.78Å; V70-L74 HydrophobicContact CG1-CD1 3.52Å; V70-L74 HydrophobicContact CG1-CG 4.14Å; V70-L74 WeakPolarHBondContact O-CB 3.38Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 3.27Å; V70-F79 HydrophobicContact CG1-CZ 4.38Å; V70-F79 HydrophobicContact CG2-CE2 4.31Å; V70-F79 HydrophobicContact CG2-CZ 4.48Å; V70-L82 HydrophobicContact CG2-CD1 3.49Å; V70-L82 VanDerWaalsContact CG2-CD1 3.49Å; V70-L82 HydrophobicContact CG2-CG 4.31Å; V70-L150 HydrophobicContact CG2-CD2 3.99Å; V70-I159 HydrophobicContact CG1-CG1 3.77Å; V70-I159 HydrophobicContact CG2-CG1 4.38Å
71E92Very high93.5Very high60 Ų6046.7 Ų46.728%0.2824%0.244SC..Hα-helixtrans-63.8-34.3-177.6-70.1-174.3164.600112.3L67 C75 F155L67-E71 HydrophobicContact CD2-CG 4.48Å; L67-E71 WeakPolarHBondContact O-CB 3.39Å; L67-E71 WeakPolarHBondContact O-CG 3.48Å; L67-E71 PolarHBondContact O-N 3.26Å; E71-C75 PolarHBondContact O-SG 2.96Å; E71-F155 HydrophobicContact CB-CE2 4.38Å; E71-F155 WeakPolarHBondContact O-CE2 3.41Å
72R89.8Confident93.7Very high102 Ų10246.4 Ų46.439%0.38524%0.241SC..Hα-helixtrans-69-44.6174.9-178.2177.3170.4-178.4-2.6111.8R68 Y69 V70 C75 D449R68-R72 VanDerWaalsContact O-CB 3.28Å; R68-R72 WeakPolarHBondContact O-CB 3.36Å; R68-R72 PolarHBondContact O-N 3.28Å; Y69-R72 PolarHBondContact O-N 2.96Å; V70-R72 VanDerWaalsContact C-N 3.27Å; V70-R72 PolarHBondContact O-N 3.14Å; R72-C75 WeakPolarHBondContact O-CB 3.45Å; R72-D449 PolarHBondContact NH2-O 3.13Å
73W93.7Very high93.7Very high20 Ų2049.6 Ų49.68%0.07626%0.256CS..Hα-helixtrans-77.7-36.1-174-67.2-9.4000113Y69 V70 C75 T76 C77 F79 L82 I108 R112Y69-W73 AromaticContact CD1-CE2 3.92Å; Y69-W73 HydrophobicContact CD1-CH2 4.29Å; Y69-W73 AromaticContact CD1-CZ2 3.65Å; Y69-W73 HydrophobicContact CD1-CZ2 3.65Å; Y69-W73 HydrophobicContact CE1-CZ2 4.3Å; Y69-W73 HydrophobicContact CG-CZ2 4.43Å; Y69-W73 WeakPolarHBondContact O-CB 3.46Å; Y69-W73 VanDerWaalsContact O-CG 3.26Å; Y69-W73 PolarHBondContact O-N 3.39Å; V70-W73 PolarHBondContact O-N 2.78Å; W73-C75 PolarHBondContact O-N 2.93Å; W73-C75 VanDerWaalsContact O-N 3.15Å; W73-T76 PolarHBondContact O-N 2.89Å; W73-T76 PolarHBondContact O-OG1 3.45Å; W73-C77 PolarHBondContact O-N 3.17Å; W73-F79 HydrophobicContact CB-CE1 3.7Å; W73-F79 HydrophobicContact CB-CZ 4.07Å; W73-L82 HydrophobicContact CZ3-CD2 4.41Å; W73-I108 HydrophobicContact CH2-CB 4.03Å; W73-I108 HydrophobicContact CH2-CD1 4.09Å; W73-I108 HydrophobicContact CH2-CG2 3.98Å; W73-I108 HydrophobicContact CZ3-CB 4.24Å; W73-I108 HydrophobicContact CZ3-CD1 4.1Å; W73-I108 HydrophobicContact CZ3-CG2 3.72Å; W73-R112 HydrophobicContact CD2-CB 4.13Å; W73-R112 HydrophobicContact CE3-CB 3.92Å; W73-R112 HydrophobicContact CE3-CG 4.48Å; W73-R112 HydrophobicContact CH2-CB 3.69Å; W73-R112 WeakPolarHBondContact CH2-O 3.47Å; W73-R112 HydrophobicContact CZ2-CB 3.92Å; W73-R112 HydrophobicContact CZ3-CB 3.69Å; W73-R112 WeakPolarHBondContact CZ3-O 3.28Å
74L93.3Very high93.9Very high18 Ų1846.5 Ų46.59%0.09424%0.243CC..Hα-helixtrans-59.6-22.6174.1-74175.9000112.6V70 T76 C77 F79 F155 K157 I159V70-L74 HydrophobicContact CG1-CD1 3.52Å; V70-L74 HydrophobicContact CG1-CG 4.14Å; V70-L74 WeakPolarHBondContact O-CB 3.38Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 3.27Å; L74-T76 PolarHBondContact O-N 3.25Å; L74-C77 WeakPolarHBondContact CA-O 3.43Å; L74-F79 HydrophobicContact CD2-CD1 3.84Å; L74-F79 HydrophobicContact CD2-CE1 3.55Å; L74-F79 HydrophobicContact CD2-CE2 4.37Å; L74-F79 HydrophobicContact CD2-CG 4.35Å; L74-F79 HydrophobicContact CD2-CZ 3.84Å; L74-F79 HydrophobicContact CG-CE1 3.76Å; L74-F79 HydrophobicContact CG-CZ 3.75Å; L74-F155 HydrophobicContact CB-CD1 4.15Å; L74-F155 HydrophobicContact CB-CD2 3.92Å; L74-F155 HydrophobicContact CB-CE1 4.06Å; L74-F155 HydrophobicContact CB-CE2 3.83Å; L74-F155 HydrophobicContact CB-CG 4.07Å; L74-F155 HydrophobicContact CB-CZ 3.9Å; L74-F155 HydrophobicContact CD1-CB 4.02Å; L74-F155 HydrophobicContact CD1-CD2 3.89Å; L74-F155 HydrophobicContact CD1-CG 3.96Å; L74-K157 HydrophobicContact CD2-CD 4.4Å; L74-I159 HydrophobicContact CD1-CD1 4.4Å
75C91.4Very high94.1Very high57 Ų5743.8 Ų43.839%0.38523%0.225SC..THydrogen-bonded Turntrans-61.3-20.5169.5-64.20000113.8E71 R72 W73E71-C75 PolarHBondContact O-SG 2.96Å; R72-C75 WeakPolarHBondContact O-CB 3.45Å; W73-C75 PolarHBondContact O-N 2.93Å; W73-C75 VanDerWaalsContact O-N 3.15Å
76T90.2Very high94.3Very high76 Ų7643.8 Ų43.847%0.46623%0.225SC..THydrogen-bonded Turntrans-130.4-18-168.9620000114.7W73 L74 R112W73-T76 PolarHBondContact O-N 2.89Å; W73-T76 PolarHBondContact O-OG1 3.45Å; L74-T76 PolarHBondContact O-N 3.25Å; T76-R112 PolarHBondContact OG1-NH1 2.62Å; T76-R112 PolarHBondContact OG1-NH2 3.1Å; T76-R112 VanDerWaalsContact OG1-NH2 3.15Å
77C89.9Confident94.4Very high53 Ų5343.8 Ų43.836%0.35823%0.225SC..  trans-158136.3178.9-179.30000108.8W73 L74 F79W73-C77 PolarHBondContact O-N 3.17Å; L74-C77 WeakPolarHBondContact CA-O 3.43Å; C77-F79 WeakPolarHBondContact O-CD1 3.47Å
78D94Very high94.5Very high113 Ų11342.1 Ų42.160%0.60422%0.216SC*.  trans-81.3148.3173.8-162.127.1000111.4K157D78-K157 IonicContact OD1-NZ 3.54Å; D78-K157 PolarHBondContact OD1-NZ 3.04Å; D78-K157 IonicContact OD2-NZ 3.13Å; D78-K157 PolarHBondContact OD2-NZ 3.39Å; D78-K157 VanDerWaalsContact OD2-NZ 3.12Å
79F96.3Very high94.5Very high14 Ų1439.4 Ų39.46%0.06121%0.207CC..  trans-165.9156.1175.756.1-87.5000110.5V70 W73 L74 C77 L82 P111 K157 I159V70-F79 HydrophobicContact CG1-CZ 4.38Å; V70-F79 HydrophobicContact CG2-CE2 4.31Å; V70-F79 HydrophobicContact CG2-CZ 4.48Å; W73-F79 HydrophobicContact CB-CE1 3.7Å; W73-F79 HydrophobicContact CB-CZ 4.07Å; L74-F79 HydrophobicContact CD2-CD1 3.84Å; L74-F79 HydrophobicContact CD2-CE1 3.55Å; L74-F79 HydrophobicContact CD2-CE2 4.37Å; L74-F79 HydrophobicContact CD2-CG 4.35Å; L74-F79 HydrophobicContact CD2-CZ 3.84Å; L74-F79 HydrophobicContact CG-CE1 3.76Å; L74-F79 HydrophobicContact CG-CZ 3.75Å; C77-F79 WeakPolarHBondContact O-CD1 3.47Å; F79-L82 HydrophobicContact CD2-CD2 3.99Å; F79-L82 HydrophobicContact CE2-CD2 3.61Å; F79-L82 HydrophobicContact CE2-CG 4.24Å; F79-L82 HydrophobicContact CZ-CD2 4.4Å; F79-P111 HydrophobicContact CB-CB 4.32Å; F79-P111 HydrophobicContact CB-CG 3.8Å; F79-P111 HydrophobicContact CD1-CG 3.9Å; F79-P111 HydrophobicContact CD2-CG 4.01Å; F79-P111 HydrophobicContact CG-CG 3.63Å; F79-K157 WeakPolarHBondContact O-CE 3.31Å; F79-K157 PolarHBondContact O-NZ 3Å; F79-K157 VanDerWaalsContact O-NZ 3.14Å; F79-I159 HydrophobicContact CD2-CD1 4.15Å; F79-I159 HydrophobicContact CD2-CG2 4.22Å; F79-I159 HydrophobicContact CE2-CD1 4.06Å; F79-I159 HydrophobicContact CE2-CG1 4.37Å; F79-I159 HydrophobicContact CE2-CG2 4.07Å; F79-I159 VanDerWaalsContact O-CD1 3.23Å; F79-I159 WeakPolarHBondContact O-CD1 3.46Å
80D96.1Very high94.4Very high100 Ų10039 Ų3954%0.53522%0.215SC..SBendtrans-115.4-11-178-55.2-54.2000113.5K157 A160D80-K157 WeakPolarHBondContact OD1-CE 3.33Å; D80-K157 IonicContact OD1-NZ 3.95Å; D80-K157 PolarHBondContact OD1-NZ 3.01Å; D80-A160 PolarHBondContact O-N 2.99Å
81T97Very high94Very high78 Ų7840 Ų4048%0.47922%0.22SC..EExtended strand (participates in β ladder)trans-135.3143.8-17469.30000111.4P111 A160T81-P111 WeakPolarHBondContact O-CD 3.41Å; T81-A160 CarbonylContact C-O 3.6Å; T81-A160 VanDerWaalsContact CA-O 3.31Å; T81-A160 WeakPolarHBondContact CA-O 3.45Å; T81-A160 HydrophobicContact CG2-CB 4.23Å
82L96.6Very high93.5Very high1 Ų140.8 Ų40.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-117.8136.3165.9-68.1-172.6000110.4V70 W73 F79 I108 A110 P111 I159 A160 I161 K162V70-L82 HydrophobicContact CG2-CD1 3.49Å; V70-L82 VanDerWaalsContact CG2-CD1 3.49Å; V70-L82 HydrophobicContact CG2-CG 4.31Å; W73-L82 HydrophobicContact CZ3-CD2 4.41Å; F79-L82 HydrophobicContact CD2-CD2 3.99Å; F79-L82 HydrophobicContact CE2-CD2 3.61Å; F79-L82 HydrophobicContact CE2-CG 4.24Å; F79-L82 HydrophobicContact CZ-CD2 4.4Å; L82-I108 HydrophobicContact CB-CG2 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.09Å; L82-I108 HydrophobicContact CD2-CG2 3.97Å; L82-A110 WeakPolarHBondContact CA-O 3.28Å; L82-P111 HydrophobicContact CD2-CG 4.47Å; L82-I159 HydrophobicContact CB-CG2 4.47Å; L82-I159 HydrophobicContact CD1-CG2 4.45Å; L82-I159 HydrophobicContact CG-CG2 3.78Å; L82-A160 PolarHBondContact N-O 3.32Å; L82-I161 HydrophobicContact CB-CD1 3.82Å; L82-I161 HydrophobicContact CD1-CD1 3.91Å; L82-I161 HydrophobicContact CG-CD1 4.13Å; L82-K162 PolarHBondContact O-N 3.28Å
83Q97.2Very high92.9Very high67 Ų6737.2 Ų37.231%0.31322%0.22SC..EExtended strand (participates in β ladder)trans-102.7125169.3-65.2-170.530.600110I108 V109 A110 T164Q83-I108 WeakPolarHBondContact O-CA 3.29Å; Q83-V109 HydrophobicContact CB-CG2 3.67Å; Q83-V109 PolarHBondContact O-N 2.87Å; Q83-A110 HydrophobicContact CB-CB 3.94Å; Q83-A110 HydrophobicContact CG-CB 3.98Å; Q83-A110 PolarHBondContact N-O 3.02Å; Q83-T164 WeakPolarHBondContact CB-OG1 3.48Å; Q83-T164 PolarHBondContact OE1-OG1 3.42Å
84L97.8Very high91.6Very high2 Ų238.3 Ų38.31%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-112.7132-173.6177.965.9000110.8L62 L66 I86 F117 K162 L163 T164L62-L84 HydrophobicContact CD1-CD1 4.31Å; L62-L84 HydrophobicContact CD1-CD2 3.85Å; L62-L84 HydrophobicContact CD2-CD2 3.77Å; L62-L84 HydrophobicContact CG-CD2 4.39Å; L66-L84 HydrophobicContact CD2-CD1 4.25Å; L84-I86 HydrophobicContact CD2-CD1 4.1Å; L84-I86 HydrophobicContact CD2-CG1 4.06Å; L84-I86 HydrophobicContact CG-CG1 4.15Å; L84-F117 HydrophobicContact CD1-CZ 4.09Å; L84-K162 PolarHBondContact N-O 3.49Å; L84-L163 HydrophobicContact CD2-CD1 4.49Å; L84-L163 HydrophobicContact CG-CD1 4.47Å; L84-T164 PolarHBondContact O-N 3.5Å
85Y98.2Very high90.1Very high11 Ų1150 Ų504%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-103.2139.3160.7-71.3-4.9000110.3G106 R107 V109 T164 A165 I167 S404Y85-G106 CarbonylContact O-C 3.46Å; Y85-G106 WeakPolarHBondContact O-CA 3.45Å; Y85-R107 PolarHBondContact N-O 3.42Å; Y85-R107 PolarHBondContact O-N 3.03Å; Y85-V109 HydrophobicContact CD1-CG1 4.3Å; Y85-V109 HydrophobicContact CD1-CG2 4.12Å; Y85-V109 HydrophobicContact CD2-CG1 3.5Å; Y85-V109 HydrophobicContact CE1-CG2 3.97Å; Y85-V109 HydrophobicContact CE2-CG1 3.71Å; Y85-V109 HydrophobicContact CE2-CG2 4.47Å; Y85-V109 HydrophobicContact CG-CG1 3.82Å; Y85-V109 HydrophobicContact CG-CG2 4.46Å; Y85-T164 HydrophobicContact CE1-CG2 3.67Å; Y85-A165 CarbonylContact C-O 3.6Å; Y85-A165 WeakPolarHBondContact CA-O 3.2Å; Y85-A165 HydrophobicContact CD1-CB 3.43Å; Y85-A165 VanDerWaalsContact CD1-CB 3.43Å; Y85-A165 HydrophobicContact CE1-CB 3.38Å; Y85-A165 HydrophobicContact CG-CB 4.05Å; Y85-I167 HydrophobicContact CD2-CG1 4.5Å; Y85-S404 WeakPolarHBondContact CE2-O 3.31Å
86I98.2Very high88.9Confident1 Ų152.7 Ų52.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-114144.6171.5-67.4178.7000108.7L84 V88 V104 L105 I119 T138 I142 L163 A165 V166 I167L84-I86 HydrophobicContact CD2-CD1 4.1Å; L84-I86 HydrophobicContact CD2-CG1 4.06Å; L84-I86 HydrophobicContact CG-CG1 4.15Å; I86-V88 HydrophobicContact CG2-CG2 4.2Å; I86-V104 HydrophobicContact CG2-CG1 4.04Å; I86-L105 CarbonylContact C-O 3.55Å; I86-L105 VanDerWaalsContact CA-O 3.25Å; I86-L105 WeakPolarHBondContact CA-O 3.31Å; I86-I119 HydrophobicContact CD1-CD1 4.46Å; I86-I119 HydrophobicContact CG1-CD1 4.22Å; I86-T138 HydrophobicContact CD1-CG2 3.99Å; I86-I142 HydrophobicContact CD1-CD1 3.4Å; I86-L163 HydrophobicContact CB-CD1 4.28Å; I86-L163 HydrophobicContact CD1-CD1 3.71Å; I86-L163 HydrophobicContact CG1-CD1 3.8Å; I86-A165 PolarHBondContact N-O 3.49Å; I86-V166 CarbonylContact O-C 3.53Å; I86-V166 VanDerWaalsContact O-CA 3.29Å; I86-V166 WeakPolarHBondContact O-CA 3.27Å; I86-I167 PolarHBondContact O-N 3.47Å
87N98.1Very high87.8Confident1 Ų150.9 Ų50.91%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-124.4139.3169165.1-99.9000110.1L105 I167 F410N87-L105 HydrophobicContact CB-CB 4.26Å; N87-L105 PolarHBondContact N-O 2.82Å; N87-L105 PolarHBondContact O-N 3.38Å; N87-I167 VanDerWaalsContact CA-O 3.28Å; N87-I167 WeakPolarHBondContact CA-O 3.31Å; N87-I167 HydrophobicContact CB-CB 4.47Å; N87-I167 PolarHBondContact ND2-O 3.34Å; N87-F410 HydrophobicContact CB-CB 4Å; N87-F410 HydrophobicContact CB-CD1 3.34Å; N87-F410 HydrophobicContact CB-CD2 3.78Å; N87-F410 HydrophobicContact CB-CE1 3.6Å; N87-F410 HydrophobicContact CB-CE2 4.03Å; N87-F410 HydrophobicContact CB-CG 3.42Å; N87-F410 VanDerWaalsContact CB-CG 3.42Å; N87-F410 HydrophobicContact CB-CZ 3.94Å; N87-F410 WeakPolarHBondContact OD1-CB 3.39Å
88V95.9Very high87Confident4 Ų451.7 Ų51.72%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-133114.1173.3-177.60000107.3I86 W102 V104 F131 I134 C168 A172 V176I86-V88 HydrophobicContact CG2-CG2 4.2Å; V88-W102 HydrophobicContact CG1-CE3 4.21Å; V88-V104 HydrophobicContact CG2-CG1 4.26Å; V88-V104 HydrophobicContact CG2-CG2 4.36Å; V88-F131 HydrophobicContact CG1-CD1 4.13Å; V88-F131 HydrophobicContact CG1-CE1 3.91Å; V88-I134 HydrophobicContact CG1-CD1 4.28Å; V88-C168 PolarHBondContact O-SG 3.47Å; V88-C168 VanDerWaalsContact O-SG 3.41Å; V88-A172 WeakPolarHBondContact O-CB 3.34Å; V88-V176 HydrophobicContact CB-CG2 4.05Å; V88-V176 HydrophobicContact CG1-CG2 3.89Å
89D92.6Very high86.4Confident9 Ų948.2 Ų48.25%0.04827%0.27CS..  trans-149.2161.5179.4-150-18.7000111.4P103 H249 M414D89-P103 WeakPolarHBondContact O-CD 3.38Å; D89-H249 IonicContact OD2-CE1 3.6Å; D89-M414 HydrophobicContact CB-CE 4.05Å; D89-M414 HydrophobicContact CB-SD 4.2Å
90G90.3Very high85.9Confident32 Ų3251.1 Ų51.133%0.3328%0.284SS..  trans-92.6128.6179.900000112.1L101G90-L101 CarbonylContact C-O 3.3Å; G90-L101 WeakPolarHBondContact CA-O 3.41Å
91L86.2Confident85.8Confident22 Ų2246.4 Ų46.412%0.11526%0.258CS..EExtended strand (participates in β ladder)trans-110.8124174.4176.465.5000110.5L101 M414 I417 K418L91-L101 HydrophobicContact CB-CB 4.11Å; L91-L101 HydrophobicContact CD2-CD1 3.97Å; L91-L101 PolarHBondContact N-O 2.91Å; L91-L101 PolarHBondContact O-N 3.13Å; L91-M414 HydrophobicContact CB-SD 4.28Å; L91-M414 HydrophobicContact CD1-CB 4.33Å; L91-M414 HydrophobicContact CD2-CB 4.28Å; L91-M414 WeakPolarHBondContact CD2-O 3.45Å; L91-I417 HydrophobicContact CD2-CB 4.46Å; L91-I417 HydrophobicContact CD2-CG2 4.43Å; L91-K418 HydrophobicContact CD1-CD 4.42Å; L91-K418 HydrophobicContact CD2-CB 4.24Å
92S81.4Confident85.7Confident76 Ų7643.6 Ų43.653%0.53124%0.239SC..EExtended strand (participates in β ladder)trans-90.2126.4171.459.20000111.6K418S92-K418 PolarHBondContact O-NZ 2.82Å
93M76.2Confident85.6Confident27 Ų2743.6 Ų43.613%0.13324%0.239CC..SBendtrans-73.6-42.8-178.5-72.3-54.7-59.500112.6L101 K418 V421 V427M93-L101 HydrophobicContact CG-CD1 4.09Å; M93-L101 HydrophobicContact CG-CG 4.22Å; M93-L101 HydrophobicContact SD-CD1 3.43Å; M93-L101 WeakPolarHBondContact SD-CD1 3.44Å; M93-L101 HydrophobicContact SD-CG 4.22Å; M93-K418 HydrophobicContact CE-CG 3.98Å; M93-K418 WeakPolarHBondContact O-CE 3.12Å; M93-K418 PolarHBondContact O-NZ 2.84Å; M93-K418 HydrophobicContact SD-CG 4.23Å; M93-V421 HydrophobicContact CE-CB 3.71Å; M93-V421 HydrophobicContact CE-CG1 3.87Å; M93-V421 HydrophobicContact CE-CG2 4.06Å; M93-V427 HydrophobicContact CE-CG1 3.83Å; M93-V427 HydrophobicContact CG-CB 4.41Å; M93-V427 HydrophobicContact CG-CG1 3.53Å; M93-V427 HydrophobicContact CG-CG2 4.22Å; M93-V427 HydrophobicContact SD-CG1 3.5Å; M93-V427 WeakPolarHBondContact SD-CG1 3.32Å
94S66Low85.6Confident43 Ų4340.5 Ų40.530%0.30123%0.225SC..  trans-149.7164.6170.373.30000109.3S96 S97S94-S96 PolarHBondContact O-N 2.9Å; S94-S96 PolarHBondContact OG-N 2.89Å; S94-S96 PolarHBondContact OG-OG 3.06Å; S94-S96 VanDerWaalsContact OG-OG 3.04Å; S94-S97 PolarHBondContact O-N 3.24Å; S94-S97 WeakPolarHBondContact OG-CB 3.35Å; S94-S97 PolarHBondContact OG-N 2.98Å
95R62.4Low85.6Confident263 Ų26340.4 Ų40.499%0.99222%0.224SC*.THydrogen-bonded Turntrans-64.5-18.1171.5-68.2-177.1176.2-178.8-2.3113
96S66.1Low85.6Confident114 Ų11439.9 Ų39.980%0.79722%0.222SC*.THydrogen-bonded Turntrans-105.3-7.8-176.259.10000114.1S94S94-S96 PolarHBondContact O-N 2.9Å; S94-S96 PolarHBondContact OG-N 2.89Å; S94-S96 PolarHBondContact OG-OG 3.06Å; S94-S96 VanDerWaalsContact OG-OG 3.04Å
97S68.3Low85.6Confident38 Ų3842 Ų4227%0.26623%0.23SC..  trans-94.4133.9-177.7-177.50000110.1S94 Q99S94-S97 PolarHBondContact O-N 3.24Å; S94-S97 WeakPolarHBondContact OG-CB 3.35Å; S94-S97 PolarHBondContact OG-N 2.98Å; S97-Q99 PolarHBondContact O-N 3.12Å; S97-Q99 VanDerWaalsContact OG-CB 3.31Å; S97-Q99 WeakPolarHBondContact OG-CB 3.45Å; S97-Q99 PolarHBondContact OG-N 3.35Å; S97-Q99 VanDerWaalsContact OG-N 3.08Å
98S72.6Confident85.6Confident69 Ų6942 Ų4248%0.48323%0.23SC..  trans-73-516859.50000112.7H100 N125S98-H100 PolarHBondContact O-CD2 3.13Å; S98-H100 PolarHBondContact O-N 2.76Å; S98-N125 CarbonylContact O-C 3.55Å; S98-N125 VanDerWaalsContact O-C 3.28Å; S98-N125 VanDerWaalsContact O-CA 3.28Å; S98-N125 WeakPolarHBondContact O-CA 3.39Å; S98-N125 PolarHBondContact OG-OD1 3.29Å; S98-N125 VanDerWaalsContact OG-OD1 3.12Å
99Q81.4Confident85.6Confident40 Ų4043.5 Ų43.519%0.18724%0.239CC..PPolyproline II helixtrans-76.7119-177.3-66.1-77.1-58.900111S97 G124 N125 V427S97-Q99 PolarHBondContact O-N 3.12Å; S97-Q99 VanDerWaalsContact OG-CB 3.31Å; S97-Q99 WeakPolarHBondContact OG-CB 3.45Å; S97-Q99 PolarHBondContact OG-N 3.35Å; S97-Q99 VanDerWaalsContact OG-N 3.08Å; Q99-G124 WeakPolarHBondContact CA-O 3.45Å; Q99-N125 PolarHBondContact NE2-OD1 3.35Å; Q99-V427 HydrophobicContact CB-CG2 4.5Å; Q99-V427 HydrophobicContact CG-CG2 4.49Å
100H86.5Confident85.7Confident76 Ų7644.2 Ų44.235%0.35225%0.246SC..EExtended strand (participates in β ladder)trans-101.2124.3171-66.6-91.7000109.4S98 G123 G124 N125S98-H100 PolarHBondContact O-CD2 3.13Å; S98-H100 PolarHBondContact O-N 2.76Å; H100-G123 WeakPolarHBondContact O-CA 3.43Å; H100-G124 PolarHBondContact N-O 2.9Å; H100-G124 PolarHBondContact O-N 3.44Å; H100-G124 VanDerWaalsContact O-N 3.13Å; H100-N125 PolarHBondContact CD2-O 3.16Å
101L92.5Very high85.9Confident0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-99.9140.7167.7-70.9-178.4000110.1G90 L91 M93 I121 Y122 I417 V427 A428G90-L101 CarbonylContact C-O 3.3Å; G90-L101 WeakPolarHBondContact CA-O 3.41Å; L91-L101 HydrophobicContact CB-CB 4.11Å; L91-L101 HydrophobicContact CD2-CD1 3.97Å; L91-L101 PolarHBondContact N-O 2.91Å; L91-L101 PolarHBondContact O-N 3.13Å; M93-L101 HydrophobicContact CG-CD1 4.09Å; M93-L101 HydrophobicContact CG-CG 4.22Å; M93-L101 HydrophobicContact SD-CD1 3.43Å; M93-L101 WeakPolarHBondContact SD-CD1 3.44Å; M93-L101 HydrophobicContact SD-CG 4.22Å; L101-I121 HydrophobicContact CD1-CD1 4.17Å; L101-I121 HydrophobicContact CD2-CD1 4.08Å; L101-I121 HydrophobicContact CD2-CG1 4.31Å; L101-Y122 CarbonylContact C-O 3.21Å; L101-Y122 VanDerWaalsContact CA-O 3.31Å; L101-Y122 WeakPolarHBondContact CA-O 3.18Å; L101-I417 HydrophobicContact CD1-CG2 4.45Å; L101-V427 HydrophobicContact CD1-CG1 3.47Å; L101-V427 VanDerWaalsContact CD1-CG1 3.47Å; L101-V427 HydrophobicContact CD2-CB 4.07Å; L101-V427 HydrophobicContact CD2-CG1 3.66Å; L101-V427 HydrophobicContact CG-CG1 3.72Å; L101-A428 HydrophobicContact CD2-CB 3.73Å
102W94.4Very high86.2Confident20 Ų2049 Ų498%0.07626%0.26CS..EExtended strand (participates in β ladder)trans-132.989.5171.9-74.575.2000108.8V88 Y122 K127 P128 F131 I134 A172V88-W102 HydrophobicContact CG1-CE3 4.21Å; W102-Y122 HydrophobicContact CB-CD1 4.03Å; W102-Y122 HydrophobicContact CG-CD1 4.32Å; W102-Y122 PolarHBondContact N-O 2.95Å; W102-Y122 PolarHBondContact O-N 3.21Å; W102-K127 HydrophobicContact CZ2-CB 3.95Å; W102-P128 HydrophobicContact CB-CG 4.18Å; W102-P128 HydrophobicContact CD2-CG 4.45Å; W102-P128 HydrophobicContact CG-CG 3.99Å; W102-F131 HydrophobicContact CD2-CE1 4.13Å; W102-F131 AromaticContact CD2-CZ 3.94Å; W102-F131 HydrophobicContact CD2-CZ 3.94Å; W102-F131 AromaticContact CE3-CE1 3.41Å; W102-F131 HydrophobicContact CE3-CE1 3.41Å; W102-F131 VanDerWaalsContact CE3-CE1 3.41Å; W102-F131 AromaticContact CE3-CZ 3.53Å; W102-F131 HydrophobicContact CE3-CZ 3.53Å; W102-F131 HydrophobicContact CH2-CE1 4.17Å; W102-F131 AromaticContact CH2-CZ 3.57Å; W102-F131 HydrophobicContact CH2-CZ 3.57Å; W102-F131 AromaticContact CZ2-CZ 3.97Å; W102-F131 HydrophobicContact CZ2-CZ 3.97Å; W102-F131 AromaticContact CZ3-CE1 3.44Å; W102-F131 HydrophobicContact CZ3-CE1 3.44Å; W102-F131 VanDerWaalsContact CZ3-CE1 3.44Å; W102-F131 AromaticContact CZ3-CZ 3.34Å; W102-F131 HydrophobicContact CZ3-CZ 3.34Å; W102-I134 HydrophobicContact CB-CD1 4.42Å; W102-A172 HydrophobicContact CH2-CB 4.19Å; W102-A172 HydrophobicContact CZ3-CB 3.86Å
103P95.6Very high86.7Confident0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-70.6144.4171.629.7-35.7000111.5D89 L105 G120 I121 M414 I417D89-P103 WeakPolarHBondContact O-CD 3.38Å; P103-L105 HydrophobicContact CB-CD2 3.82Å; P103-L105 HydrophobicContact CB-CG 4.02Å; P103-L105 HydrophobicContact CG-CG 4.41Å; P103-G120 WeakPolarHBondContact CA-O 3.49Å; P103-I121 HydrophobicContact CB-CD1 4.48Å; P103-I121 HydrophobicContact CB-CG1 4.35Å; P103-M414 HydrophobicContact CG-CG 4.03Å; P103-M414 HydrophobicContact CG-SD 4Å; P103-I417 HydrophobicContact CB-CD1 4.01Å; P103-I417 HydrophobicContact CG-CD1 4.24Å
104V97.3Very high87.6Confident3 Ų349.3 Ų49.32%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-103.4115162-175.60000106.1Y57 I86 V88 I119 G120 I134 T138Y57-V104 HydrophobicContact CE2-CG2 4.49Å; I86-V104 HydrophobicContact CG2-CG1 4.04Å; V88-V104 HydrophobicContact CG2-CG1 4.26Å; V88-V104 HydrophobicContact CG2-CG2 4.36Å; V104-I119 HydrophobicContact CB-CB 4.39Å; V104-I119 HydrophobicContact CG1-CB 4.16Å; V104-I119 HydrophobicContact CG1-CD1 4.16Å; V104-I119 HydrophobicContact CG1-CG2 4.45Å; V104-I119 WeakPolarHBondContact O-CA 3.49Å; V104-I119 WeakPolarHBondContact O-CB 3.39Å; V104-I119 PolarHBondContact O-N 3.4Å; V104-G120 PolarHBondContact N-O 3.37Å; V104-G120 PolarHBondContact O-N 2.88Å; V104-I134 HydrophobicContact CG2-CD1 4.46Å; V104-T138 HydrophobicContact CG1-CG2 4.36Å
105L98Very high88.9Confident0 Ų053.2 Ų53.20%027%0.274CS..EExtended strand (participates in β ladder)trans-112.3148.6-173.4-57.6-179.7000110.5I86 N87 P103 V116 F117 M118 F410 Y413 M414 I417I86-L105 CarbonylContact C-O 3.55Å; I86-L105 VanDerWaalsContact CA-O 3.25Å; I86-L105 WeakPolarHBondContact CA-O 3.31Å; N87-L105 HydrophobicContact CB-CB 4.26Å; N87-L105 PolarHBondContact N-O 2.82Å; N87-L105 PolarHBondContact O-N 3.38Å; P103-L105 HydrophobicContact CB-CD2 3.82Å; P103-L105 HydrophobicContact CB-CG 4.02Å; P103-L105 HydrophobicContact CG-CG 4.41Å; L105-V116 HydrophobicContact CB-CG1 3.95Å; L105-V116 HydrophobicContact CD1-CG1 4.07Å; L105-V116 HydrophobicContact CG-CG1 4.42Å; L105-F117 CarbonylContact C-O 3.44Å; L105-F117 WeakPolarHBondContact CA-O 3.04Å; L105-M118 HydrophobicContact CD2-CB 4.24Å; L105-M118 HydrophobicContact CD2-CG 4.13Å; L105-F410 HydrophobicContact CB-CD1 3.9Å; L105-F410 HydrophobicContact CB-CE1 4.32Å; L105-F410 HydrophobicContact CD1-CB 4.19Å; L105-F410 HydrophobicContact CD1-CD1 4.17Å; L105-Y413 HydrophobicContact CD1-CD1 3.83Å; L105-Y413 HydrophobicContact CD2-CD1 3.62Å; L105-Y413 HydrophobicContact CD2-CE1 3.57Å; L105-Y413 HydrophobicContact CG-CD1 4.36Å; L105-M414 HydrophobicContact CD1-CG 3.99Å; L105-I417 HydrophobicContact CD2-CD1 4.2Å
106G98.1Very high90.5Very high0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-122.3152.9176.300000111.9Y85 V116 F117Y85-G106 CarbonylContact O-C 3.46Å; Y85-G106 WeakPolarHBondContact O-CA 3.45Å; G106-V116 WeakPolarHBondContact O-CA 3.48Å; G106-F117 VanDerWaalsContact C-CE1 3.47Å; G106-F117 PolarHBondContact N-O 2.57Å; G106-F117 VanDerWaalsContact O-CD1 3.27Å; G106-F117 WeakPolarHBondContact O-CD1 3.24Å; G106-F117 WeakPolarHBondContact O-CE1 3.16Å; G106-F117 PolarHBondContact O-N 3.12Å
107R98Very high91.9Very high45 Ų4536.1 Ų36.117%0.1719%0.194CC..EExtended strand (participates in β ladder)trans-150.1130.5170.3-167.6-179.6-167-169.96.2110.6Y85 L113 S114 V116 F410Y85-R107 PolarHBondContact N-O 3.42Å; Y85-R107 PolarHBondContact O-N 3.03Å; R107-L113 VanDerWaalsContact NH2-CD2 3.33Å; R107-S114 PolarHBondContact NE-O 3.24Å; R107-V116 HydrophobicContact CB-CG2 4.44Å; R107-V116 HydrophobicContact CG-CG2 4.4Å; R107-F410 HydrophobicContact CB-CE1 4.03Å; R107-F410 HydrophobicContact CB-CZ 4.03Å
108I97.7Very high93.2Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-85.4129.5172.9-55.3164.4000108.1L66 Y69 W73 L82 Q83 A110 L113 S114 F117L66-I108 HydrophobicContact CD2-CD1 3.81Å; L66-I108 HydrophobicContact CD2-CG1 3.77Å; Y69-I108 HydrophobicContact CD2-CD1 3.82Å; Y69-I108 HydrophobicContact CG-CD1 3.72Å; W73-I108 HydrophobicContact CH2-CB 4.03Å; W73-I108 HydrophobicContact CH2-CD1 4.09Å; W73-I108 HydrophobicContact CH2-CG2 3.98Å; W73-I108 HydrophobicContact CZ3-CB 4.24Å; W73-I108 HydrophobicContact CZ3-CD1 4.1Å; W73-I108 HydrophobicContact CZ3-CG2 3.72Å; L82-I108 HydrophobicContact CB-CG2 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.09Å; L82-I108 HydrophobicContact CD2-CG2 3.97Å; Q83-I108 WeakPolarHBondContact O-CA 3.29Å; I108-A110 VanDerWaalsContact CG2-O 3.28Å; I108-A110 WeakPolarHBondContact CG2-O 3.14Å; I108-L113 WeakPolarHBondContact O-CA 3.42Å; I108-S114 PolarHBondContact N-OG 3.12Å; I108-S114 PolarHBondContact O-N 3.06Å; I108-F117 HydrophobicContact CG1-CE1 4.23Å
109V95.7Very high94.4Very high37 Ų3731.2 Ų31.222%0.22416%0.159CC..EExtended strand (participates in β ladder)trans-110.7-18.8-177.8-62.90000113.8Q83 Y85 L113Q83-V109 HydrophobicContact CB-CG2 3.67Å; Q83-V109 PolarHBondContact O-N 2.87Å; Y85-V109 HydrophobicContact CD1-CG1 4.3Å; Y85-V109 HydrophobicContact CD1-CG2 4.12Å; Y85-V109 HydrophobicContact CD2-CG1 3.5Å; Y85-V109 HydrophobicContact CE1-CG2 3.97Å; Y85-V109 HydrophobicContact CE2-CG1 3.71Å; Y85-V109 HydrophobicContact CE2-CG2 4.47Å; Y85-V109 HydrophobicContact CG-CG1 3.82Å; Y85-V109 HydrophobicContact CG-CG2 4.46Å; V109-L113 HydrophobicContact CG1-CD1 4.21Å
110A94.9Very high95.1Very high23 Ų2329.3 Ų29.319%0.1915%0.151CC..EExtended strand (participates in β ladder)trans-147.6147.117200000109.9L82 Q83 I108 R112L82-A110 WeakPolarHBondContact CA-O 3.28Å; Q83-A110 HydrophobicContact CB-CB 3.94Å; Q83-A110 HydrophobicContact CG-CB 3.98Å; Q83-A110 PolarHBondContact N-O 3.02Å; I108-A110 VanDerWaalsContact CG2-O 3.28Å; I108-A110 WeakPolarHBondContact CG2-O 3.14Å; A110-R112 VanDerWaalsContact C-N 3.32Å
111P94.4Very high95.6Very high61 Ų6125.7 Ų25.740%0.39613%0.134SC..SBendcis-79.8-12.75.635.6-38.3000113.2F79 T81 L82F79-P111 HydrophobicContact CB-CB 4.32Å; F79-P111 HydrophobicContact CB-CG 3.8Å; F79-P111 HydrophobicContact CD1-CG 3.9Å; F79-P111 HydrophobicContact CD2-CG 4.01Å; F79-P111 HydrophobicContact CG-CG 3.63Å; T81-P111 WeakPolarHBondContact O-CD 3.41Å; L82-P111 HydrophobicContact CD2-CG 4.47Å
112R92.6Very high95.7Very high93 Ų9325.7 Ų25.735%0.35113%0.134SC..SBendtrans-129.3152.3175.3-64.5-179.6174.4-178-0.5109.1W73 T76 A110W73-R112 HydrophobicContact CD2-CB 4.13Å; W73-R112 HydrophobicContact CE3-CB 3.92Å; W73-R112 HydrophobicContact CE3-CG 4.48Å; W73-R112 HydrophobicContact CH2-CB 3.69Å; W73-R112 WeakPolarHBondContact CH2-O 3.47Å; W73-R112 HydrophobicContact CZ2-CB 3.92Å; W73-R112 HydrophobicContact CZ3-CB 3.69Å; W73-R112 WeakPolarHBondContact CZ3-O 3.28Å; T76-R112 PolarHBondContact OG1-NH1 2.62Å; T76-R112 PolarHBondContact OG1-NH2 3.1Å; T76-R112 VanDerWaalsContact OG1-NH2 3.15Å; A110-R112 VanDerWaalsContact C-N 3.32Å
113L92.4Very high95.7Very high106 Ų10625.1 Ų25.156%0.55513%0.134SC*.PPolyproline II helixtrans-80.9122.4175.8-168.162.9000109.3R107 I108 V109R107-L113 VanDerWaalsContact NH2-CD2 3.33Å; I108-L113 WeakPolarHBondContact O-CA 3.42Å; V109-L113 HydrophobicContact CG1-CD1 4.21Å
114S94.5Very high95.4Very high5 Ų525.4 Ų25.44%0.03514%0.137CC..PPolyproline II helixtrans-88.9164.6171.477.20000111.8R107 I108R107-S114 PolarHBondContact NE-O 3.24Å; I108-S114 PolarHBondContact N-OG 3.12Å; I108-S114 PolarHBondContact O-N 3.06Å
115D93Very high95Very high125 Ų12530 Ų3067%0.66816%0.161SC*.PPolyproline II helixtrans-63.3159155.8-65.6-46.8000110.2
116V96.6Very high94.5Very high16 Ų1633.6 Ų33.610%0.09718%0.184CC..PPolyproline II helixtrans-71.1138.2171.3177.60000108.6L105 G106 R107 P409 F410 Y413L105-V116 HydrophobicContact CB-CG1 3.95Å; L105-V116 HydrophobicContact CD1-CG1 4.07Å; L105-V116 HydrophobicContact CG-CG1 4.42Å; G106-V116 WeakPolarHBondContact O-CA 3.48Å; R107-V116 HydrophobicContact CB-CG2 4.44Å; R107-V116 HydrophobicContact CG-CG2 4.4Å; V116-P409 HydrophobicContact CG2-CB 3.91Å; V116-F410 HydrophobicContact CG1-CD1 3.71Å; V116-F410 HydrophobicContact CG1-CE1 4.12Å; V116-F410 HydrophobicContact CG2-CD1 3.94Å; V116-F410 HydrophobicContact CG2-CE1 4.11Å; V116-Y413 HydrophobicContact CB-CD2 4.06Å; V116-Y413 HydrophobicContact CB-CG 3.93Å; V116-Y413 HydrophobicContact CG1-CD1 3.8Å; V116-Y413 HydrophobicContact CG1-CD2 4.19Å; V116-Y413 HydrophobicContact CG1-CE1 4.44Å; V116-Y413 HydrophobicContact CG1-CG 3.65Å; V116-Y413 VanDerWaalsContact O-CE2 3.24Å; V116-Y413 WeakPolarHBondContact O-CE2 3.47Å
117F95.9Very high94.1Very high2 Ų238 Ų381%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-130.8157.3179.759.4-96.7000111.3L62 N65 L66 Y69 L84 L105 G106 I108 I119 Y435L62-F117 HydrophobicContact CD1-CE2 3.86Å; L62-F117 HydrophobicContact CD1-CZ 4.12Å; N65-F117 HydrophobicContact CB-CD2 3.63Å; N65-F117 HydrophobicContact CB-CE2 3.76Å; N65-F117 HydrophobicContact CB-CG 4.32Å; L66-F117 HydrophobicContact CD2-CE1 4.45Å; L66-F117 HydrophobicContact CD2-CZ 3.79Å; Y69-F117 HydrophobicContact CD2-CD1 4.44Å; Y69-F117 HydrophobicContact CD2-CE1 4.47Å; Y69-F117 AromaticContact CE2-CD1 3.64Å; Y69-F117 HydrophobicContact CE2-CD1 3.64Å; Y69-F117 HydrophobicContact CE2-CE1 4.08Å; Y69-F117 HydrophobicContact CE2-CG 4.27Å; L84-F117 HydrophobicContact CD1-CZ 4.09Å; L105-F117 CarbonylContact C-O 3.44Å; L105-F117 WeakPolarHBondContact CA-O 3.04Å; G106-F117 VanDerWaalsContact C-CE1 3.47Å; G106-F117 PolarHBondContact N-O 2.57Å; G106-F117 VanDerWaalsContact O-CD1 3.27Å; G106-F117 WeakPolarHBondContact O-CD1 3.24Å; G106-F117 WeakPolarHBondContact O-CE1 3.16Å; G106-F117 PolarHBondContact O-N 3.12Å; I108-F117 HydrophobicContact CG1-CE1 4.23Å; F117-I119 HydrophobicContact CD2-CG1 4.18Å; F117-I119 HydrophobicContact CE2-CD1 4.39Å; F117-I119 HydrophobicContact CE2-CG1 3.84Å; F117-Y435 WeakPolarHBondContact CB-OH 3.43Å
118M96.3Very high93.7Very high4 Ų436 Ų362%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-92.2122.6-178.8-163.1-176.5-56.200110.7L60 N65 L105 I121 Y413 I417 Y435L60-M118 HydrophobicContact CD1-CB 3.84Å; L60-M118 HydrophobicContact CD1-CG 3.59Å; L60-M118 HydrophobicContact CD1-SD 3.41Å; L60-M118 WeakPolarHBondContact CD1-SD 3.35Å; N65-M118 PolarHBondContact ND2-O 3.17Å; N65-M118 VanDerWaalsContact ND2-O 3.07Å; L105-M118 HydrophobicContact CD2-CB 4.24Å; L105-M118 HydrophobicContact CD2-CG 4.13Å; M118-I121 HydrophobicContact SD-CB 3.8Å; M118-I121 HydrophobicContact SD-CD1 4.32Å; M118-I121 HydrophobicContact SD-CG2 3.85Å; M118-Y413 HydrophobicContact CB-CE1 4.26Å; M118-Y413 HydrophobicContact CE-CE1 4.34Å; M118-I417 HydrophobicContact CE-CD1 3.5Å; M118-I417 HydrophobicContact CE-CG1 3.61Å; M118-I417 HydrophobicContact CE-CG2 4.31Å; M118-Y435 HydrophobicContact CB-CD1 4.29Å; M118-Y435 HydrophobicContact CB-CD2 3.85Å; M118-Y435 HydrophobicContact CB-CE1 4.27Å; M118-Y435 HydrophobicContact CB-CE2 3.85Å; M118-Y435 HydrophobicContact CB-CG 4.06Å; M118-Y435 PolarHBondContact N-OH 3.49Å
119I97.2Very high93.3Very high0 Ų039.4 Ų39.40%022%0.224CC..EExtended strand (participates in β ladder)trans-88.6-38.5174.2-60165.2000110.1H59 L60 G61 L62 I86 V104 F117 T138H59-I119 PolarHBondContact ND1-O 3.25Å; L60-I119 WeakPolarHBondContact CA-O 3.4Å; L60-I119 WeakPolarHBondContact CB-O 3.44Å; L60-I119 PolarHBondContact N-O 3.34Å; G61-I119 PolarHBondContact N-O 3.29Å; L62-I119 HydrophobicContact CB-CG1 4.38Å; L62-I119 HydrophobicContact CB-CG2 3.85Å; L62-I119 HydrophobicContact CD1-CD1 3.78Å; L62-I119 HydrophobicContact CD1-CG1 3.96Å; I86-I119 HydrophobicContact CD1-CD1 4.46Å; I86-I119 HydrophobicContact CG1-CD1 4.22Å; V104-I119 HydrophobicContact CB-CB 4.39Å; V104-I119 HydrophobicContact CG1-CB 4.16Å; V104-I119 HydrophobicContact CG1-CD1 4.16Å; V104-I119 HydrophobicContact CG1-CG2 4.45Å; V104-I119 WeakPolarHBondContact O-CA 3.49Å; V104-I119 WeakPolarHBondContact O-CB 3.39Å; V104-I119 PolarHBondContact O-N 3.4Å; F117-I119 HydrophobicContact CD2-CG1 4.18Å; F117-I119 HydrophobicContact CE2-CD1 4.39Å; F117-I119 HydrophobicContact CE2-CG1 3.84Å; I119-T138 HydrophobicContact CD1-CG2 4.33Å; I119-T138 HydrophobicContact CG2-CG2 3.93Å; I119-T138 VanDerWaalsContact CG2-OG1 3.3Å; I119-T138 WeakPolarHBondContact CG2-OG1 3Å
120G96.3Very high93Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-170.1171.2174.300000111.7Y58 P103 V104Y58-G120 CarbonylContact O-C 3.53Å; Y58-G120 WeakPolarHBondContact O-CA 3.34Å; P103-G120 WeakPolarHBondContact CA-O 3.49Å; V104-G120 PolarHBondContact N-O 3.37Å; V104-G120 PolarHBondContact O-N 2.88Å
121I95.7Very high92.9Very high0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-147.9127.8178.9-170.6167.6000111.6Y57 Y58 L101 P103 M118 I417 A428 A431 A432Y57-I121 WeakPolarHBondContact CD2-O 3.38Å; Y58-I121 PolarHBondContact N-O 3.27Å; Y58-I121 PolarHBondContact O-N 3.33Å; L101-I121 HydrophobicContact CD1-CD1 4.17Å; L101-I121 HydrophobicContact CD2-CD1 4.08Å; L101-I121 HydrophobicContact CD2-CG1 4.31Å; P103-I121 HydrophobicContact CB-CD1 4.48Å; P103-I121 HydrophobicContact CB-CG1 4.35Å; M118-I121 HydrophobicContact SD-CB 3.8Å; M118-I121 HydrophobicContact SD-CD1 4.32Å; M118-I121 HydrophobicContact SD-CG2 3.85Å; I121-I417 HydrophobicContact CD1-CG2 4.08Å; I121-A428 HydrophobicContact CG1-CB 4.34Å; I121-A428 HydrophobicContact CG2-CB 4.33Å; I121-A431 HydrophobicContact CD1-CB 3.79Å; I121-A432 HydrophobicContact CG2-CB 3.93Å
122Y95.3Very high93Very high0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-94.1143.6169.9164.9-91.8000110.8I52 S54 V56 L101 W102 T126 P128 I134I52-Y122 HydrophobicContact CD1-CD2 3.35Å; I52-Y122 HydrophobicContact CD1-CE2 3.53Å; I52-Y122 HydrophobicContact CD1-CG 4.42Å; I52-Y122 HydrophobicContact CG1-CD2 3.86Å; I52-Y122 HydrophobicContact CG1-CE2 3.72Å; S54-Y122 VanDerWaalsContact CB-OH 3.29Å; S54-Y122 WeakPolarHBondContact CB-OH 3.36Å; S54-Y122 PolarHBondContact O-OH 2.71Å; S54-Y122 PolarHBondContact OG-OH 3.16Å; V56-Y122 WeakPolarHBondContact O-CA 3.09Å; L101-Y122 CarbonylContact C-O 3.21Å; L101-Y122 VanDerWaalsContact CA-O 3.31Å; L101-Y122 WeakPolarHBondContact CA-O 3.18Å; W102-Y122 HydrophobicContact CB-CD1 4.03Å; W102-Y122 HydrophobicContact CG-CD1 4.32Å; W102-Y122 PolarHBondContact N-O 2.95Å; W102-Y122 PolarHBondContact O-N 3.21Å; Y122-T126 WeakPolarHBondContact CE1-O 3.18Å; Y122-T126 PolarHBondContact OH-O 2.88Å; Y122-P128 HydrophobicContact CD1-CG 3.61Å; Y122-P128 HydrophobicContact CD2-CG 4.49Å; Y122-P128 HydrophobicContact CE1-CG 3.75Å; Y122-P128 HydrophobicContact CG-CG 3.97Å; Y122-I134 HydrophobicContact CD2-CG2 4.11Å; Y122-I134 HydrophobicContact CG-CG2 4.09Å
123G93.4Very high93Very high8 Ų841.1 Ų41.18%0.08222%0.218CC..EExtended strand (participates in β ladder)trans-135.6131.7167.200000111.6G55 V56 H100G55-G123 WeakPolarHBondContact CA-O 3.39Å; V56-G123 PolarHBondContact N-O 2.84Å; V56-G123 PolarHBondContact O-N 2.91Å; H100-G123 WeakPolarHBondContact O-CA 3.43Å
124G90.6Very high93.1Very high6 Ų636.1 Ų36.16%0.06219%0.192CC..EExtended strand (participates in β ladder)trans-159.9175.1175.400000112.4Q99 H100 T126Q99-G124 WeakPolarHBondContact CA-O 3.45Å; H100-G124 PolarHBondContact N-O 2.9Å; H100-G124 PolarHBondContact O-N 3.44Å; H100-G124 VanDerWaalsContact O-N 3.13Å; G124-T126 PolarHBondContact O-N 3.22Å
125N87.8Confident93Very high99 Ų9936.4 Ų36.453%0.52919%0.194SC..SBendtrans-77.3-8175.5-74.9-38.2000113.2S98 Q99 H100S98-N125 CarbonylContact O-C 3.55Å; S98-N125 VanDerWaalsContact O-C 3.28Å; S98-N125 VanDerWaalsContact O-CA 3.28Å; S98-N125 WeakPolarHBondContact O-CA 3.39Å; S98-N125 PolarHBondContact OG-OD1 3.29Å; S98-N125 VanDerWaalsContact OG-OD1 3.12Å; Q99-N125 PolarHBondContact NE2-OD1 3.35Å; H100-N125 PolarHBondContact CD2-O 3.16Å
126T87.9Confident93.2Very high76 Ų7631.9 Ų31.947%0.46617%0.174SC..SBendtrans-137.1165.6174.163.10000108.7Y122 G124Y122-T126 WeakPolarHBondContact CE1-O 3.18Å; Y122-T126 PolarHBondContact OH-O 2.88Å; G124-T126 PolarHBondContact O-N 3.22Å
127K89.2Confident93.1Very high93 Ų9333.3 Ų33.340%0.40418%0.181SC..SBendtrans-55156.5163.372.3175.6-166.6165.90110.9W102 A129 D175W102-K127 HydrophobicContact CZ2-CB 3.95Å; K127-A129 PolarHBondContact O-N 2.65Å; K127-D175 VanDerWaalsContact NZ-CG 3.27Å; K127-D175 IonicContact NZ-OD1 3.13Å; K127-D175 PolarHBondContact NZ-OD1 2.67Å; K127-D175 IonicContact NZ-OD2 2.78Å; K127-D175 PolarHBondContact NZ-OD2 2.97Å
128P90.6Very high93.2Very high2 Ų233.3 Ų33.31%0.01318%0.181CC..  trans-51.8128174.6-23.630.4000110.8S54 W102 Y122 R130 F131 I134S54-P128 WeakPolarHBondContact OG-CA 3.46Å; W102-P128 HydrophobicContact CB-CG 4.18Å; W102-P128 HydrophobicContact CD2-CG 4.45Å; W102-P128 HydrophobicContact CG-CG 3.99Å; Y122-P128 HydrophobicContact CD1-CG 3.61Å; Y122-P128 HydrophobicContact CD2-CG 4.49Å; Y122-P128 HydrophobicContact CE1-CG 3.75Å; Y122-P128 HydrophobicContact CG-CG 3.97Å; P128-R130 PolarHBondContact O-N 3.26Å; P128-F131 HydrophobicContact CB-CD2 4.43Å; P128-F131 HydrophobicContact CB-CE2 4.33Å; P128-F131 HydrophobicContact CG-CE2 4.48Å; P128-F131 HydrophobicContact CG-CZ 4.28Å; P128-I134 HydrophobicContact CB-CG2 4.16Å; P128-I134 HydrophobicContact CG-CD1 4Å; P128-I134 HydrophobicContact CG-CG2 4.07Å
129A88.4Confident93.2Very high72 Ų7233.4 Ų33.460%0.59518%0.182SC*.SBendtrans-64.5-33.1176.400000111.6S54 K127S54-A129 PolarHBondContact OG-N 2.69Å; K127-A129 PolarHBondContact O-N 2.65Å
130R90.8Very high93.2Very high157 Ų15737 Ų3759%0.59221%0.207SC*.  trans-135.6113.9177.2-66.6179.4176.4170.2-2.1109.3P128 N132 E133P128-R130 PolarHBondContact O-N 3.26Å; R130-N132 PolarHBondContact O-N 2.75Å; R130-E133 HydrophobicContact CB-CG 4.02Å; R130-E133 WeakPolarHBondContact CD-OE1 3.31Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.03Å
131F92.9Very high93.2Very high9 Ų938.2 Ų38.24%0.03921%0.213CC..Hα-helixtrans-64.6-27.2178.8-87.6-99.1000112.8V88 W102 P128 E133 I134 S135 D175 V176 Y178V88-F131 HydrophobicContact CG1-CD1 4.13Å; V88-F131 HydrophobicContact CG1-CE1 3.91Å; W102-F131 HydrophobicContact CD2-CE1 4.13Å; W102-F131 AromaticContact CD2-CZ 3.94Å; W102-F131 HydrophobicContact CD2-CZ 3.94Å; W102-F131 AromaticContact CE3-CE1 3.41Å; W102-F131 HydrophobicContact CE3-CE1 3.41Å; W102-F131 VanDerWaalsContact CE3-CE1 3.41Å; W102-F131 AromaticContact CE3-CZ 3.53Å; W102-F131 HydrophobicContact CE3-CZ 3.53Å; W102-F131 HydrophobicContact CH2-CE1 4.17Å; W102-F131 AromaticContact CH2-CZ 3.57Å; W102-F131 HydrophobicContact CH2-CZ 3.57Å; W102-F131 AromaticContact CZ2-CZ 3.97Å; W102-F131 HydrophobicContact CZ2-CZ 3.97Å; W102-F131 AromaticContact CZ3-CE1 3.44Å; W102-F131 HydrophobicContact CZ3-CE1 3.44Å; W102-F131 VanDerWaalsContact CZ3-CE1 3.44Å; W102-F131 AromaticContact CZ3-CZ 3.34Å; W102-F131 HydrophobicContact CZ3-CZ 3.34Å; P128-F131 HydrophobicContact CB-CD2 4.43Å; P128-F131 HydrophobicContact CB-CE2 4.33Å; P128-F131 HydrophobicContact CG-CE2 4.48Å; P128-F131 HydrophobicContact CG-CZ 4.28Å; F131-E133 PolarHBondContact O-N 2.53Å; F131-I134 HydrophobicContact CD1-CD1 3.76Å; F131-I134 HydrophobicContact CD1-CG1 4.25Å; F131-I134 HydrophobicContact CE1-CD1 3.99Å; F131-I134 WeakPolarHBondContact O-CG1 3.47Å; F131-I134 PolarHBondContact O-N 2.79Å; F131-S135 PolarHBondContact O-N 2.81Å; F131-S135 VanDerWaalsContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.19Å; F131-D175 HydrophobicContact CD2-CB 3.59Å; F131-D175 HydrophobicContact CE2-CB 3.42Å; F131-D175 VanDerWaalsContact CE2-CB 3.42Å; F131-D175 HydrophobicContact CG-CB 4.23Å; F131-D175 HydrophobicContact CZ-CB 3.92Å; F131-V176 HydrophobicContact CD1-CG2 3.67Å; F131-V176 HydrophobicContact CE1-CG2 4.16Å; F131-V176 HydrophobicContact CG-CG2 4.35Å; F131-Y178 HydrophobicContact CB-CE2 4.36Å; F131-Y178 PolarHBondContact N-OH 2.91Å
132N95.2Very high93.3Very high37 Ų3738.2 Ų38.220%0.19821%0.213CC..Hα-helixtrans-57-30.3171.5-72.6-11.4000112.9R130 S135 A136 Y178 H229 L231R130-N132 PolarHBondContact O-N 2.75Å; N132-S135 WeakPolarHBondContact CA-OG 3.45Å; N132-A136 WeakPolarHBondContact O-CB 3.37Å; N132-A136 PolarHBondContact O-N 2.81Å; N132-A136 VanDerWaalsContact O-N 3.08Å; N132-Y178 HydrophobicContact CB-CE2 4.49Å; N132-Y178 PolarHBondContact N-OH 2.94Å; N132-Y178 VanDerWaalsContact OD1-CE2 3.29Å; N132-Y178 WeakPolarHBondContact OD1-CE2 3.45Å; N132-H229 PolarHBondContact ND2-O 3.5Å; N132-L231 HydrophobicContact CB-CD1 3.82Å; N132-L231 HydrophobicContact CB-CG 3.81Å; N132-L231 VanDerWaalsContact O-CD1 3.26Å; N132-L231 WeakPolarHBondContact O-CD1 3.49Å; N132-L231 PolarHBondContact OD1-N 2.85Å
133E93.8Very high93.3Very high46 Ų4642.7 Ų42.722%0.21523%0.232CC..Hα-helixtrans-70.5-33.6179.4-69.2175.5-169.500112.5I52 S53 R130 F131I52-E133 HydrophobicContact CB-CB 4.27Å; I52-E133 WeakPolarHBondContact CB-OE2 3.47Å; I52-E133 HydrophobicContact CD1-CB 4.17Å; I52-E133 HydrophobicContact CG2-CB 4.25Å; S53-E133 WeakPolarHBondContact CB-OE2 3.49Å; S53-E133 PolarHBondContact N-OE2 3.39Å; S53-E133 VanDerWaalsContact N-OE2 3.07Å; S53-E133 PolarHBondContact OG-OE1 3.47Å; S53-E133 PolarHBondContact OG-OE2 3.18Å; R130-E133 HydrophobicContact CB-CG 4.02Å; R130-E133 WeakPolarHBondContact CD-OE1 3.31Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.03Å; F131-E133 PolarHBondContact O-N 2.53Å
134I93.7Very high93.4Very high2 Ų246.1 Ų46.11%0.0125%0.246CC..Hα-helixtrans-86.8-24.8178.964.3159.5000112.8I52 Y57 V88 W102 V104 Y122 P128 F131I52-I134 HydrophobicContact CD1-CG2 3.41Å; I52-I134 VanDerWaalsContact CD1-CG2 3.41Å; Y57-I134 HydrophobicContact CD2-CB 4.18Å; Y57-I134 HydrophobicContact CD2-CG2 4.17Å; Y57-I134 HydrophobicContact CE2-CB 4.23Å; Y57-I134 PolarHBondContact OH-O 2.87Å; Y57-I134 VanDerWaalsContact OH-O 3.1Å; V88-I134 HydrophobicContact CG1-CD1 4.28Å; W102-I134 HydrophobicContact CB-CD1 4.42Å; V104-I134 HydrophobicContact CG2-CD1 4.46Å; Y122-I134 HydrophobicContact CD2-CG2 4.11Å; Y122-I134 HydrophobicContact CG-CG2 4.09Å; P128-I134 HydrophobicContact CB-CG2 4.16Å; P128-I134 HydrophobicContact CG-CD1 4Å; P128-I134 HydrophobicContact CG-CG2 4.07Å; F131-I134 HydrophobicContact CD1-CD1 3.76Å; F131-I134 HydrophobicContact CD1-CG1 4.25Å; F131-I134 HydrophobicContact CE1-CD1 3.99Å; F131-I134 WeakPolarHBondContact O-CG1 3.47Å; F131-I134 PolarHBondContact O-N 2.79Å
135S93.5Very high93.7Very high11 Ų1145.9 Ų45.98%0.07724%0.243CC..Hα-helixtrans-89.7-17.7179.163.70000113.4F131 N132 D137 T138 I139F131-S135 PolarHBondContact O-N 2.81Å; F131-S135 VanDerWaalsContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.19Å; N132-S135 WeakPolarHBondContact CA-OG 3.45Å; S135-D137 PolarHBondContact O-N 2.89Å; S135-T138 WeakPolarHBondContact O-CB 3.43Å; S135-T138 PolarHBondContact O-N 2.89Å; S135-T138 VanDerWaalsContact O-N 3.15Å; S135-I139 VanDerWaalsContact O-CG1 3.29Å; S135-I139 WeakPolarHBondContact O-CG1 3.1Å; S135-I139 PolarHBondContact O-N 3.23Å
136A95.5Very high93.9Very high30 Ų3044 Ų4425%0.24824%0.236CC..Hα-helixtrans-49-52.4-172.200000114.6N132 I139 S140 L231N132-A136 WeakPolarHBondContact O-CB 3.37Å; N132-A136 PolarHBondContact O-N 2.81Å; N132-A136 VanDerWaalsContact O-N 3.08Å; A136-I139 PolarHBondContact O-N 3.01Å; A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 2.97Å; A136-L231 HydrophobicContact CB-CD1 3.93Å
137D95.6Very high94.1Very high45 Ų4546.9 Ų46.924%0.24124%0.244CC..Hα-helixtrans-65.8-44.8-177.1-54.8-54.5000110.5K50 H59 S135 I139 S140 E141K50-D137 IonicContact NZ-OD1 2.95Å; K50-D137 PolarHBondContact NZ-OD1 2.8Å; K50-D137 IonicContact NZ-OD2 3.76Å; K50-D137 PolarHBondContact NZ-OD2 3.37Å; H59-D137 HydrophobicContact CB-CB 4.46Å; S135-D137 PolarHBondContact O-N 2.89Å; D137-I139 PolarHBondContact O-N 3.26Å; D137-S140 WeakPolarHBondContact O-CB 3.46Å; D137-S140 PolarHBondContact O-N 3.33Å; D137-E141 WeakPolarHBondContact O-CG 3.07Å; D137-E141 PolarHBondContact O-N 3.02Å
138T96.7Very high94.3Very high2 Ų246.3 Ų46.31%0.01225%0.248CC..Hα-helixtrans-60.2-44.3176.5-53.70000112.3L62 I86 V104 I119 S135 E141 I142L62-T138 HydrophobicContact CD2-CG2 4.32Å; I86-T138 HydrophobicContact CD1-CG2 3.99Å; V104-T138 HydrophobicContact CG1-CG2 4.36Å; I119-T138 HydrophobicContact CD1-CG2 4.33Å; I119-T138 HydrophobicContact CG2-CG2 3.93Å; I119-T138 VanDerWaalsContact CG2-OG1 3.3Å; I119-T138 WeakPolarHBondContact CG2-OG1 3Å; S135-T138 WeakPolarHBondContact O-CB 3.43Å; S135-T138 PolarHBondContact O-N 2.89Å; S135-T138 VanDerWaalsContact O-N 3.15Å; T138-E141 PolarHBondContact O-N 2.93Å; T138-I142 HydrophobicContact CG2-CD1 4.04Å; T138-I142 VanDerWaalsContact O-CG1 3.24Å; T138-I142 WeakPolarHBondContact O-CG1 3.34Å; T138-I142 PolarHBondContact O-N 2.79Å
139I97.1Very high94.5Very high6 Ų646.8 Ų46.83%0.03125%0.254CS..Hα-helixtrans-66.3-40.1178.5-63.9-63.5000110.7S135 A136 D137 I142 K143 L231 F232 L235S135-I139 VanDerWaalsContact O-CG1 3.29Å; S135-I139 WeakPolarHBondContact O-CG1 3.1Å; S135-I139 PolarHBondContact O-N 3.23Å; A136-I139 PolarHBondContact O-N 3.01Å; D137-I139 PolarHBondContact O-N 3.26Å; I139-I142 PolarHBondContact O-N 3.07Å; I139-K143 WeakPolarHBondContact O-CB 3.03Å; I139-K143 PolarHBondContact O-N 3.15Å; I139-L231 HydrophobicContact CG1-CB 4.18Å; I139-L231 HydrophobicContact CG2-CB 4.35Å; I139-F232 HydrophobicContact CD1-CD1 3.45Å; I139-F232 VanDerWaalsContact CD1-CD1 3.45Å; I139-F232 HydrophobicContact CD1-CD2 3.96Å; I139-F232 HydrophobicContact CD1-CE1 3.41Å; I139-F232 VanDerWaalsContact CD1-CE1 3.41Å; I139-F232 HydrophobicContact CD1-CE2 3.93Å; I139-F232 HydrophobicContact CD1-CG 3.73Å; I139-F232 HydrophobicContact CD1-CZ 3.66Å; I139-L235 HydrophobicContact CD1-CD1 3.71Å; I139-L235 HydrophobicContact CG2-CD1 4.31Å; I139-L235 HydrophobicContact CG2-CD2 4.11Å; I139-L235 HydrophobicContact CG2-CG 4.09Å
140S97Very high94.9Very high76 Ų7643.4 Ų43.453%0.53123%0.225SC..Hα-helixtrans-60.1-45.7175.2-169.80000111.5A136 D137 K143 E144A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 2.97Å; D137-S140 WeakPolarHBondContact O-CB 3.46Å; D137-S140 PolarHBondContact O-N 3.33Å; S140-K143 PolarHBondContact O-N 3.29Å; S140-E144 PolarHBondContact O-N 2.74Å
141E97.3Very high95.1Very high25 Ų2538.6 Ų38.612%0.11721%0.211CC..Hα-helixtrans-62.9-42.5176.3-69.5179.4112.200112H59 G61 L62 K63 D137 T138 E144 M145H59-E141 IonicContact CE1-OE2 3.79Å; H59-E141 PolarHBondContact CE1-OE2 2.96Å; H59-E141 IonicContact NE2-OE1 3.29Å; H59-E141 IonicContact NE2-OE2 3.88Å; H59-E141 PolarHBondContact NE2-OE2 3.21Å; G61-E141 WeakPolarHBondContact CA-OE1 3.45Å; L62-E141 HydrophobicContact CB-CB 4.41Å; L62-E141 WeakPolarHBondContact CB-OE2 3.4Å; L62-E141 VanDerWaalsContact N-CD 3.32Å; L62-E141 PolarHBondContact N-OE1 2.79Å; L62-E141 PolarHBondContact N-OE2 2.81Å; K63-E141 WeakPolarHBondContact CB-OE1 3.47Å; K63-E141 PolarHBondContact N-OE1 3.04Å; D137-E141 WeakPolarHBondContact O-CG 3.07Å; D137-E141 PolarHBondContact O-N 3.02Å; T138-E141 PolarHBondContact O-N 2.93Å; E141-E144 PolarHBondContact O-N 3.38Å; E141-M145 HydrophobicContact CB-CE 4.36Å; E141-M145 WeakPolarHBondContact O-CB 3.4Å; E141-M145 WeakPolarHBondContact O-CE 3.2Å; E141-M145 VanDerWaalsContact O-CG 3.3Å; E141-M145 WeakPolarHBondContact O-CG 3.29Å; E141-M145 PolarHBondContact O-N 3.07Å
142I97Very high95.2Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..Hα-helixtrans-63.1-44.2177.3-66.6164.9000110.5L62 I86 T138 I139 M145 T146 L163 L235L62-I142 HydrophobicContact CD2-CD1 4.13Å; L62-I142 HydrophobicContact CD2-CG1 3.44Å; L62-I142 VanDerWaalsContact CD2-CG1 3.44Å; I86-I142 HydrophobicContact CD1-CD1 3.4Å; T138-I142 HydrophobicContact CG2-CD1 4.04Å; T138-I142 VanDerWaalsContact O-CG1 3.24Å; T138-I142 WeakPolarHBondContact O-CG1 3.34Å; T138-I142 PolarHBondContact O-N 2.79Å; I139-I142 PolarHBondContact O-N 3.07Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-T146 VanDerWaalsContact O-CB 3.32Å; I142-T146 WeakPolarHBondContact O-CB 3.49Å; I142-T146 PolarHBondContact O-N 2.66Å; I142-T146 PolarHBondContact O-OG1 3.07Å; I142-L163 HydrophobicContact CD1-CD2 4.28Å; I142-L163 HydrophobicContact CG2-CB 4.43Å; I142-L235 HydrophobicContact CB-CD1 4.34Å; I142-L235 HydrophobicContact CB-CD2 4.32Å; I142-L235 HydrophobicContact CD1-CD1 4.42Å; I142-L235 HydrophobicContact CG2-CD1 3.84Å; I142-L235 HydrophobicContact CG2-CD2 3.95Å
143K96.1Very high95Very high93 Ų9341.8 Ų41.840%0.40423%0.233SC..Hα-helixtrans-59.6-49.9179.4-173.2175.1178.21790111I139 S140 M145 T146 E147 L235I139-K143 WeakPolarHBondContact O-CB 3.03Å; I139-K143 PolarHBondContact O-N 3.15Å; S140-K143 PolarHBondContact O-N 3.29Å; K143-M145 PolarHBondContact O-N 3.16Å; K143-T146 PolarHBondContact O-N 2.87Å; K143-E147 WeakPolarHBondContact CE-OE1 3.3Å; K143-E147 WeakPolarHBondContact CG-OE1 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.15Å; K143-E147 PolarHBondContact O-N 3.49Å; K143-L235 HydrophobicContact CB-CD2 3.85Å
144E95.3Very high95Very high80 Ų8047.1 Ų47.137%0.37425%0.251SS..Hα-helixtrans-56-48.9176-174.9-165148.900111.7K63 S140 E141 T146 E147 T148K63-E144 IonicContact NZ-OE1 3.82Å; K63-E144 PolarHBondContact NZ-OE1 3.25Å; S140-E144 PolarHBondContact O-N 2.74Å; E141-E144 PolarHBondContact O-N 3.38Å; E144-T146 VanDerWaalsContact C-N 3.32Å; E144-T146 PolarHBondContact O-N 3.35Å; E144-E147 PolarHBondContact O-N 3.16Å; E144-T148 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-OG1 2.81Å
145M95.4Very high95Very high1 Ų150.5 Ų50.51%0.00527%0.265CS..Hα-helixtrans-71.8-24.1-178.6-69-174.6-62.400113.7L62 K63 L66 E141 I142 K143 G149 L150 I161L62-M145 HydrophobicContact CD2-CE 3.64Å; L62-M145 HydrophobicContact CG-CE 3.89Å; K63-M145 HydrophobicContact CB-SD 4.16Å; K63-M145 HydrophobicContact CG-SD 4.1Å; L66-M145 HydrophobicContact CD1-CE 3.74Å; L66-M145 HydrophobicContact CD1-SD 3.89Å; E141-M145 HydrophobicContact CB-CE 4.36Å; E141-M145 WeakPolarHBondContact O-CB 3.4Å; E141-M145 WeakPolarHBondContact O-CE 3.2Å; E141-M145 VanDerWaalsContact O-CG 3.3Å; E141-M145 WeakPolarHBondContact O-CG 3.29Å; E141-M145 PolarHBondContact O-N 3.07Å; I142-M145 PolarHBondContact O-N 3.44Å; K143-M145 PolarHBondContact O-N 3.16Å; M145-G149 WeakPolarHBondContact O-CA 3.03Å; M145-G149 PolarHBondContact O-N 2.75Å; M145-L150 HydrophobicContact CG-CD1 4.41Å; M145-L150 HydrophobicContact SD-CB 4.33Å; M145-L150 HydrophobicContact SD-CD1 3.87Å; M145-L150 HydrophobicContact SD-CD2 4.38Å; M145-L150 HydrophobicContact SD-CG 4.44Å; M145-I161 HydrophobicContact CB-CB 4.08Å; M145-I161 HydrophobicContact CB-CG1 3.81Å; M145-I161 HydrophobicContact CE-CG2 4.47Å; M145-I161 HydrophobicContact CG-CG1 4.42Å; M145-I161 HydrophobicContact SD-CG1 4.07Å
146T92.6Very high95Very high60 Ų6056.5 Ų56.537%0.36830%0.297SS..Hα-helixtrans-75.4-36.1174.7-550000110.5I142 K143 E144 P236I142-T146 VanDerWaalsContact O-CB 3.32Å; I142-T146 WeakPolarHBondContact O-CB 3.49Å; I142-T146 PolarHBondContact O-N 2.66Å; I142-T146 PolarHBondContact O-OG1 3.07Å; K143-T146 PolarHBondContact O-N 2.87Å; E144-T146 VanDerWaalsContact C-N 3.32Å; E144-T146 PolarHBondContact O-N 3.35Å; T146-P236 HydrophobicContact CG2-CG 3.89Å
147E92.3Very high95Very high137 Ų13756.9 Ų56.964%0.6429%0.293SS*.Hα-helixtrans-77.8-41.4179.6-70.5171.2-173.500112.7K143 E144K143-E147 WeakPolarHBondContact CE-OE1 3.3Å; K143-E147 WeakPolarHBondContact CG-OE1 3.37Å; K143-E147 WeakPolarHBondContact O-CG 3.15Å; K143-E147 PolarHBondContact O-N 3.49Å; E144-E147 PolarHBondContact O-N 3.16Å
148T93.4Very high95Very high81 Ų8161.6 Ų61.650%0.49731%0.308SS..Hα-helixtrans-110.8-16.4-171.361.40000114.5E144 Y158E144-T148 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-OG1 2.81Å; T148-Y158 WeakPolarHBondContact O-CD1 3.42Å
149G94.7Very high95Very high12 Ų1261.5 Ų61.512%0.12431%0.307CS..  trans77.5164.9-165.700000113M145 I159M145-G149 WeakPolarHBondContact O-CA 3.03Å; M145-G149 PolarHBondContact O-N 2.75Å; G149-I159 CarbonylContact C-O 3.41Å; G149-I159 WeakPolarHBondContact CA-O 3.06Å
150L96.4Very high95Very high0 Ų063.8 Ų63.80%033%0.327CS..EExtended strand (participates in β ladder)trans-89.9107.7173.9-177.659.5000110K63 L66 L67 V70 M145 S152 I159 I161K63-L150 HydrophobicContact CD-CD1 4.44Å; K63-L150 HydrophobicContact CG-CD1 3.63Å; L66-L150 HydrophobicContact CB-CD2 3.51Å; L66-L150 HydrophobicContact CD1-CD2 4.46Å; L67-L150 HydrophobicContact CD1-CD1 3.8Å; L67-L150 HydrophobicContact CG-CD1 3.76Å; L67-L150 HydrophobicContact CG-CD2 4.25Å; L67-L150 HydrophobicContact CG-CG 4.11Å; V70-L150 HydrophobicContact CG2-CD2 3.99Å; M145-L150 HydrophobicContact CG-CD1 4.41Å; M145-L150 HydrophobicContact SD-CB 4.33Å; M145-L150 HydrophobicContact SD-CD1 3.87Å; M145-L150 HydrophobicContact SD-CD2 4.38Å; M145-L150 HydrophobicContact SD-CG 4.44Å; L150-S152 PolarHBondContact O-N 2.72Å; L150-I159 HydrophobicContact CB-CB 4.42Å; L150-I159 PolarHBondContact N-O 3.29Å; L150-I159 PolarHBondContact O-N 3.37Å; L150-I161 HydrophobicContact CB-CD1 3.96Å; L150-I161 HydrophobicContact CB-CG1 3.98Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å
151L95.8Very high95Very high56 Ų5660.6 Ų60.629%0.29330%0.304SS..EExtended strand (participates in β ladder)trans-74.6113.1177.5177.759.1000111.6L67 V153 Y158L67-L151 WeakPolarHBondContact CD2-O 3.46Å; L151-V153 HydrophobicContact CD2-CG2 4.19Å; L151-V153 HydrophobicContact CG-CG2 4.21Å; L151-V153 PolarHBondContact O-N 3.2Å; L151-Y158 HydrophobicContact CB-CD1 3.96Å; L151-Y158 HydrophobicContact CB-CE1 3.67Å; L151-Y158 HydrophobicContact CD1-CD1 4.38Å; L151-Y158 HydrophobicContact CD1-CD2 4.04Å; L151-Y158 HydrophobicContact CD1-CE1 4.12Å; L151-Y158 HydrophobicContact CD1-CE2 3.76Å; L151-Y158 HydrophobicContact CD1-CG 4.34Å; L151-Y158 HydrophobicContact CD2-CE1 4.43Å; L151-Y158 HydrophobicContact CG-CE1 4.27Å
152S94.2Very high95Very high0 Ų065.5 Ų65.50%033%0.325CS..EExtended strand (participates in β ladder)trans-84102.4161.1179.50000109.6L150 R154 F155 N156 K157L150-S152 PolarHBondContact O-N 2.72Å; S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 3.38Å; S152-F155 PolarHBondContact O-N 2.69Å; S152-F155 WeakPolarHBondContact OG-CD2 3.39Å; S152-N156 WeakPolarHBondContact O-CA 3.27Å; S152-N156 PolarHBondContact O-N 2.84Å; S152-K157 PolarHBondContact N-O 3.38Å; S152-K157 PolarHBondContact O-N 3.39Å; S152-K157 VanDerWaalsContact O-N 3.11Å
153V92.4Very high95Very high114 Ų11465.9 Ų65.969%0.69133%0.327SS*.THydrogen-bonded Turntrans-61.8-39.8179.6178.60000110.7L151 F155 N156L151-V153 HydrophobicContact CD2-CG2 4.19Å; L151-V153 HydrophobicContact CG-CG2 4.21Å; L151-V153 PolarHBondContact O-N 3.2Å; V153-F155 VanDerWaalsContact C-N 3.25Å; V153-F155 PolarHBondContact O-N 3.25Å; V153-N156 PolarHBondContact O-N 2.84Å
154R92.2Very high95Very high158 Ų15862.2 Ų62.260%0.59631%0.313SS*.THydrogen-bonded Turntrans-58.2-36.3-179.4179.2175.6177-174.7-1.5113.3S152S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 3.38Å
155F93.7Very high95.2Very high73 Ų7358.4 Ų58.432%0.3230%0.295SS..THydrogen-bonded Turntrans-106.92.9-178.8-66.2-87.6000112.6E71 L74 S152 V153 K157E71-F155 HydrophobicContact CB-CE2 4.38Å; E71-F155 WeakPolarHBondContact O-CE2 3.41Å; L74-F155 HydrophobicContact CB-CD1 4.15Å; L74-F155 HydrophobicContact CB-CD2 3.92Å; L74-F155 HydrophobicContact CB-CE1 4.06Å; L74-F155 HydrophobicContact CB-CE2 3.83Å; L74-F155 HydrophobicContact CB-CG 4.07Å; L74-F155 HydrophobicContact CB-CZ 3.9Å; L74-F155 HydrophobicContact CD1-CB 4.02Å; L74-F155 HydrophobicContact CD1-CD2 3.89Å; L74-F155 HydrophobicContact CD1-CG 3.96Å; S152-F155 PolarHBondContact O-N 2.69Å; S152-F155 WeakPolarHBondContact OG-CD2 3.39Å; V153-F155 VanDerWaalsContact C-N 3.25Å; V153-F155 PolarHBondContact O-N 3.25Å; F155-K157 HydrophobicContact CB-CB 4.28Å; F155-K157 PolarHBondContact O-N 2.78Å
156N94.5Very high95.3Very high137 Ų13758.4 Ų58.473%0.73330%0.295SS*.THydrogen-bonded Turntrans44.245.9-172.3-167.540.9000112.8S152 V153S152-N156 WeakPolarHBondContact O-CA 3.27Å; S152-N156 PolarHBondContact O-N 2.84Å; V153-N156 PolarHBondContact O-N 2.84Å
157K94.8Very high95.6Very high37 Ų3755.6 Ų55.616%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-131132.4-170.9-173.6166.6-178.7163.90111.4L74 D78 F79 D80 S152 F155 I159L74-K157 HydrophobicContact CD2-CD 4.4Å; D78-K157 IonicContact OD1-NZ 3.54Å; D78-K157 PolarHBondContact OD1-NZ 3.04Å; D78-K157 IonicContact OD2-NZ 3.13Å; D78-K157 PolarHBondContact OD2-NZ 3.39Å; D78-K157 VanDerWaalsContact OD2-NZ 3.12Å; F79-K157 WeakPolarHBondContact O-CE 3.31Å; F79-K157 PolarHBondContact O-NZ 3Å; F79-K157 VanDerWaalsContact O-NZ 3.14Å; D80-K157 WeakPolarHBondContact OD1-CE 3.33Å; D80-K157 IonicContact OD1-NZ 3.95Å; D80-K157 PolarHBondContact OD1-NZ 3.01Å; S152-K157 PolarHBondContact N-O 3.38Å; S152-K157 PolarHBondContact O-N 3.39Å; S152-K157 VanDerWaalsContact O-N 3.11Å; F155-K157 HydrophobicContact CB-CB 4.28Å; F155-K157 PolarHBondContact O-N 2.78Å; K157-I159 HydrophobicContact CD-CD1 4.07Å; K157-I159 HydrophobicContact CG-CD1 3.94Å
158Y96.4Very high95.8Very high144 Ų14449 Ų4957%0.56525%0.247SC*.EExtended strand (participates in β ladder)trans-90.1132.8171.4-72.2-91.5000110T148 L151T148-Y158 WeakPolarHBondContact O-CD1 3.42Å; L151-Y158 HydrophobicContact CB-CD1 3.96Å; L151-Y158 HydrophobicContact CB-CE1 3.67Å; L151-Y158 HydrophobicContact CD1-CD1 4.38Å; L151-Y158 HydrophobicContact CD1-CD2 4.04Å; L151-Y158 HydrophobicContact CD1-CE1 4.12Å; L151-Y158 HydrophobicContact CD1-CE2 3.76Å; L151-Y158 HydrophobicContact CD1-CG 4.34Å; L151-Y158 HydrophobicContact CD2-CE1 4.43Å; L151-Y158 HydrophobicContact CG-CE1 4.27Å
159I97.3Very high95.9Very high0 Ų046.7 Ų46.70%023%0.231CC..EExtended strand (participates in β ladder)trans-113.9120.4178.3-53.7-61.8000109.2V70 L74 F79 L82 G149 L150 K157 I161V70-I159 HydrophobicContact CG1-CG1 3.77Å; V70-I159 HydrophobicContact CG2-CG1 4.38Å; L74-I159 HydrophobicContact CD1-CD1 4.4Å; F79-I159 HydrophobicContact CD2-CD1 4.15Å; F79-I159 HydrophobicContact CD2-CG2 4.22Å; F79-I159 HydrophobicContact CE2-CD1 4.06Å; F79-I159 HydrophobicContact CE2-CG1 4.37Å; F79-I159 HydrophobicContact CE2-CG2 4.07Å; F79-I159 VanDerWaalsContact O-CD1 3.23Å; F79-I159 WeakPolarHBondContact O-CD1 3.46Å; L82-I159 HydrophobicContact CB-CG2 4.47Å; L82-I159 HydrophobicContact CD1-CG2 4.45Å; L82-I159 HydrophobicContact CG-CG2 3.78Å; G149-I159 CarbonylContact C-O 3.41Å; G149-I159 WeakPolarHBondContact CA-O 3.06Å; L150-I159 HydrophobicContact CB-CB 4.42Å; L150-I159 PolarHBondContact N-O 3.29Å; L150-I159 PolarHBondContact O-N 3.37Å; K157-I159 HydrophobicContact CD-CD1 4.07Å; K157-I159 HydrophobicContact CG-CD1 3.94Å; I159-I161 HydrophobicContact CG2-CD1 4.33Å; I159-I161 PolarHBondContact O-N 3.34Å
160A96.9Very high96Very high54 Ų5446.8 Ų46.845%0.44623%0.231SC..EExtended strand (participates in β ladder)trans-69.4130.6177.100000110.3D80 T81 L82D80-A160 PolarHBondContact O-N 2.99Å; T81-A160 CarbonylContact C-O 3.6Å; T81-A160 VanDerWaalsContact CA-O 3.31Å; T81-A160 WeakPolarHBondContact CA-O 3.45Å; T81-A160 HydrophobicContact CG2-CB 4.23Å; L82-A160 PolarHBondContact N-O 3.32Å
161I96.7Very high96Very high9 Ų949 Ų495%0.04625%0.245CC..EExtended strand (participates in β ladder)trans-104.2125.4179.2-54.5-54.9000109.2L66 L82 M145 L150 I159L66-I161 HydrophobicContact CD1-CD1 4.2Å; L66-I161 HydrophobicContact CD1-CG1 4.47Å; L66-I161 HydrophobicContact CD1-CG2 4.28Å; L82-I161 HydrophobicContact CB-CD1 3.82Å; L82-I161 HydrophobicContact CD1-CD1 3.91Å; L82-I161 HydrophobicContact CG-CD1 4.13Å; M145-I161 HydrophobicContact CB-CB 4.08Å; M145-I161 HydrophobicContact CB-CG1 3.81Å; M145-I161 HydrophobicContact CE-CG2 4.47Å; M145-I161 HydrophobicContact CG-CG1 4.42Å; M145-I161 HydrophobicContact SD-CG1 4.07Å; L150-I161 HydrophobicContact CB-CD1 3.96Å; L150-I161 HydrophobicContact CB-CG1 3.98Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å; I159-I161 HydrophobicContact CG2-CD1 4.33Å; I159-I161 PolarHBondContact O-N 3.34Å
162K96Very high95.9Very high128 Ų12846.3 Ų46.356%0.55723%0.231SC*.EExtended strand (participates in β ladder)trans-115.5117.3173.7-175178.4-179.8-179.20109.9L82 L84 T164L82-K162 PolarHBondContact O-N 3.28Å; L84-K162 PolarHBondContact N-O 3.49Å; K162-T164 PolarHBondContact O-N 3.04Å
163L97.4Very high96.1Very high10 Ų1046.5 Ų46.55%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-73.1105.9165.6178.264000108.1L84 I86 I142 V166 F232 L235 I237 T242L84-L163 HydrophobicContact CD2-CD1 4.49Å; L84-L163 HydrophobicContact CG-CD1 4.47Å; I86-L163 HydrophobicContact CB-CD1 4.28Å; I86-L163 HydrophobicContact CD1-CD1 3.71Å; I86-L163 HydrophobicContact CG1-CD1 3.8Å; I142-L163 HydrophobicContact CD1-CD2 4.28Å; I142-L163 HydrophobicContact CG2-CB 4.43Å; L163-V166 HydrophobicContact CD1-CG2 4.3Å; L163-V166 HydrophobicContact CD2-CG2 4.03Å; L163-V166 HydrophobicContact CG-CG2 4.45Å; L163-F232 HydrophobicContact CD2-CD1 4.16Å; L163-F232 HydrophobicContact CD2-CE1 3.97Å; L163-L235 HydrophobicContact CD2-CD1 4.03Å; L163-I237 HydrophobicContact CB-CG2 4.49Å; L163-I237 HydrophobicContact CD2-CD1 4.15Å; L163-I237 HydrophobicContact CD2-CG2 4.42Å; L163-T242 HydrophobicContact CD2-CG2 4.47Å; L163-T242 HydrophobicContact CG-CG2 4.27Å
164T97.2Very high96.3Very high16 Ų1641.2 Ų41.210%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-91.2-37.5-176.2-560000111.5Q83 L84 Y85 K162 H399Q83-T164 WeakPolarHBondContact CB-OG1 3.48Å; Q83-T164 PolarHBondContact OE1-OG1 3.42Å; L84-T164 PolarHBondContact O-N 3.5Å; Y85-T164 HydrophobicContact CE1-CG2 3.67Å; K162-T164 PolarHBondContact O-N 3.04Å; T164-H399 PolarHBondContact O-CE1 3.49Å
165A98.3Very high96.5Very high0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-150.6152.1178.100000113.9Y85 I86 I167 T242 P244Y85-A165 CarbonylContact C-O 3.6Å; Y85-A165 WeakPolarHBondContact CA-O 3.2Å; Y85-A165 HydrophobicContact CD1-CB 3.43Å; Y85-A165 VanDerWaalsContact CD1-CB 3.43Å; Y85-A165 HydrophobicContact CE1-CB 3.38Å; Y85-A165 HydrophobicContact CG-CB 4.05Å; I86-A165 PolarHBondContact N-O 3.49Å; A165-I167 HydrophobicContact CB-CD1 3.71Å; A165-T242 CarbonylContact C-O 3.56Å; A165-T242 VanDerWaalsContact CA-O 3.28Å; A165-T242 WeakPolarHBondContact CA-O 3.32Å; A165-P244 HydrophobicContact CB-CG 4.05Å
166V98.3Very high96.6Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-118.4100.4169.2-1750000108I86 L163 F232 T242 F243I86-V166 CarbonylContact O-C 3.53Å; I86-V166 VanDerWaalsContact O-CA 3.29Å; I86-V166 WeakPolarHBondContact O-CA 3.27Å; L163-V166 HydrophobicContact CD1-CG2 4.3Å; L163-V166 HydrophobicContact CD2-CG2 4.03Å; L163-V166 HydrophobicContact CG-CG2 4.45Å; V166-F232 HydrophobicContact CG1-CE1 4.47Å; V166-F232 HydrophobicContact CG1-CZ 4.19Å; V166-F232 HydrophobicContact CG2-CD1 4.1Å; V166-F232 HydrophobicContact CG2-CE1 3.54Å; V166-F232 HydrophobicContact CG2-CZ 4.08Å; V166-T242 HydrophobicContact CG2-CG2 4.35Å; V166-T242 PolarHBondContact N-O 3.26Å; V166-F243 HydrophobicContact CB-CD1 3.77Å; V166-F243 HydrophobicContact CB-CE1 3.58Å; V166-F243 HydrophobicContact CB-CG 4.38Å; V166-F243 HydrophobicContact CB-CZ 4.01Å; V166-F243 HydrophobicContact CG1-CD1 4Å; V166-F243 HydrophobicContact CG1-CE1 3.5Å; V166-F243 HydrophobicContact CG1-CZ 4.17Å; V166-F243 HydrophobicContact CG2-CE1 4.14Å; V166-F243 HydrophobicContact CG2-CE2 4.5Å; V166-F243 HydrophobicContact CG2-CZ 4.06Å
167I98.1Very high96.7Very high1 Ų125.6 Ų25.61%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-86116.2-174.7-49.6-51.8000109.3Y85 I86 N87 A165 P244 D246 Y405 A407 F410Y85-I167 HydrophobicContact CD2-CG1 4.5Å; I86-I167 PolarHBondContact O-N 3.47Å; N87-I167 VanDerWaalsContact CA-O 3.28Å; N87-I167 WeakPolarHBondContact CA-O 3.31Å; N87-I167 HydrophobicContact CB-CB 4.47Å; N87-I167 PolarHBondContact ND2-O 3.34Å; A165-I167 HydrophobicContact CB-CD1 3.71Å; I167-P244 HydrophobicContact CD1-CG 3.39Å; I167-D246 HydrophobicContact CG2-CB 4.46Å; I167-Y405 WeakPolarHBondContact CD1-O 3.27Å; I167-A407 HydrophobicContact CG2-CB 4.13Å; I167-F410 HydrophobicContact CB-CE2 4.11Å; I167-F410 HydrophobicContact CG1-CE2 3.96Å; I167-F410 HydrophobicContact CG2-CD2 4.43Å; I167-F410 HydrophobicContact CG2-CE2 4.38Å
168C97Very high96.8Very high0 Ų025.9 Ų25.90%013%0.132CC..  trans-140151.7176.9-58.20000110.2V88 A172 R173V88-C168 PolarHBondContact O-SG 3.47Å; V88-C168 VanDerWaalsContact O-SG 3.41Å; C168-A172 HydrophobicContact CB-CB 4.02Å; C168-R173 HydrophobicContact CB-CB 3.83Å; C168-R173 PolarHBondContact O-NH1 3.34Å; C168-R173 VanDerWaalsContact O-NH1 3.15Å
169D96.2Very high96.9Very high32 Ų3219 Ų1917%0.17111%0.105CC..  trans-64.7170.7161.289.6-15.1000110.6P171 A172 R173 H249D169-P171 WeakPolarHBondContact OD1-CD 3.36Å; D169-P171 WeakPolarHBondContact OD2-CD 3.39Å; D169-A172 PolarHBondContact O-N 3.01Å; D169-A172 WeakPolarHBondContact OD1-CB 3.47Å; D169-A172 PolarHBondContact OD1-N 3.15Å; D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 PolarHBondContact O-N 2.95Å; D169-H249 HydrophobicContact CB-CB 4.4Å
170A96.3Very high96.9Very high13 Ų1320.3 Ų20.311%0.10711%0.113CC..Hα-helixtrans-64.6-45.9-173.900000113.8R173 S174 H182 Y384A170-R173 PolarHBondContact O-N 3.47Å; A170-S174 PolarHBondContact O-N 3.06Å; A170-H182 HydrophobicContact CB-CB 4.09Å; A170-Y384 HydrophobicContact CB-CE1 3.81Å
171P95.5Very high96.8Very high46 Ų4619.7 Ų19.730%0.29910%0.102SC..Hα-helixtrans-55.5-52.5170.8-27.434.6000114.1D169 R173 S174 D175D169-P171 WeakPolarHBondContact OD1-CD 3.36Å; D169-P171 WeakPolarHBondContact OD2-CD 3.39Å; P171-R173 VanDerWaalsContact C-N 3.33Å; P171-R173 PolarHBondContact O-N 3.35Å; P171-S174 PolarHBondContact O-N 2.9Å; P171-S174 VanDerWaalsContact O-N 3.17Å; P171-S174 PolarHBondContact O-OG 3.19Å; P171-D175 PolarHBondContact O-N 2.75Å
172A95.6Very high96.7Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-63.6-39.3-179.500000111.4V88 W102 C168 D169 S174 D175 V176V88-A172 WeakPolarHBondContact O-CB 3.34Å; W102-A172 HydrophobicContact CH2-CB 4.19Å; W102-A172 HydrophobicContact CZ3-CB 3.86Å; C168-A172 HydrophobicContact CB-CB 4.02Å; D169-A172 PolarHBondContact O-N 3.01Å; D169-A172 WeakPolarHBondContact OD1-CB 3.47Å; D169-A172 PolarHBondContact OD1-N 3.15Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.13Å; A172-D175 PolarHBondContact O-N 3.06Å; A172-V176 WeakPolarHBondContact O-CB 3.4Å; A172-V176 VanDerWaalsContact O-CG2 3.27Å; A172-V176 WeakPolarHBondContact O-CG2 3.45Å; A172-V176 PolarHBondContact O-N 3.36Å
173R97.1Very high96.6Very high5 Ų520.2 Ų20.22%0.01911%0.109CC..Hα-helixtrans-57.8-44.8173.8-176.916454-109.4-11.3111.1C168 D169 A170 P171 V176 R177 D189 F243 P244 Y384C168-R173 HydrophobicContact CB-CB 3.83Å; C168-R173 PolarHBondContact O-NH1 3.34Å; C168-R173 VanDerWaalsContact O-NH1 3.15Å; D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 PolarHBondContact O-N 2.95Å; A170-R173 PolarHBondContact O-N 3.47Å; P171-R173 VanDerWaalsContact C-N 3.33Å; P171-R173 PolarHBondContact O-N 3.35Å; R173-V176 PolarHBondContact O-N 3.16Å; R173-R177 VanDerWaalsContact CG-CD 3.5Å; R173-R177 HydrophobicContact CG-CG 4.31Å; R173-R177 VanDerWaalsContact O-CB 3.27Å; R173-R177 WeakPolarHBondContact O-CB 2.9Å; R173-R177 VanDerWaalsContact O-CG 3.31Å; R173-R177 WeakPolarHBondContact O-CG 2.98Å; R173-R177 PolarHBondContact O-N 3.2Å; R173-D189 IonicContact CZ-OD2 2.65Å; R173-D189 IonicContact NE-OD2 4Å; R173-D189 PolarHBondContact NE-OD2 3.49Å; R173-D189 IonicContact NH2-OD2 3.61Å; R173-D189 PolarHBondContact NH2-OD2 3.01Å; R173-F243 HydrophobicContact CG-CD1 4.35Å; R173-P244 PolarHBondContact NH1-O 2.88Å; R173-Y384 PolarHBondContact NH2-OH 3.15Å
174S96.9Very high96.6Very high3 Ų320.3 Ų20.32%0.02111%0.112CC..Hα-helixtrans-66-38.1179.172.20000113A170 P171 A172 Y178 T179A170-S174 PolarHBondContact O-N 3.06Å; P171-S174 PolarHBondContact O-N 2.9Å; P171-S174 VanDerWaalsContact O-N 3.17Å; P171-S174 PolarHBondContact O-OG 3.19Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.13Å; S174-Y178 CarbonylContact O-C 3.59Å; S174-Y178 WeakPolarHBondContact O-CA 3.35Å; S174-Y178 PolarHBondContact O-N 3.37Å; S174-T179 WeakPolarHBondContact CA-OG1 3.39Å; S174-T179 PolarHBondContact O-N 3.4Å
175D95.4Very high96.5Very high35 Ų3525.6 Ų25.619%0.18713%0.134CC..Hα-helixtrans-70.5-41.8177.5-77.9-27.2000111.7K127 F131 P171 A172 Y178K127-D175 VanDerWaalsContact NZ-CG 3.27Å; K127-D175 IonicContact NZ-OD1 3.13Å; K127-D175 PolarHBondContact NZ-OD1 2.67Å; K127-D175 IonicContact NZ-OD2 2.78Å; K127-D175 PolarHBondContact NZ-OD2 2.97Å; F131-D175 HydrophobicContact CD2-CB 3.59Å; F131-D175 HydrophobicContact CE2-CB 3.42Å; F131-D175 VanDerWaalsContact CE2-CB 3.42Å; F131-D175 HydrophobicContact CG-CB 4.23Å; F131-D175 HydrophobicContact CZ-CB 3.92Å; P171-D175 PolarHBondContact O-N 2.75Å; A172-D175 PolarHBondContact O-N 3.06Å; D175-Y178 PolarHBondContact O-N 3.48Å
176V96.4Very high96.5Very high5 Ų525.7 Ų25.73%0.0313%0.134CC..Hα-helixtrans-68.4-39.9178.4172.30000111.9V88 F131 A172 R173 Y178 S230 F232 F243V88-V176 HydrophobicContact CB-CG2 4.05Å; V88-V176 HydrophobicContact CG1-CG2 3.89Å; F131-V176 HydrophobicContact CD1-CG2 3.67Å; F131-V176 HydrophobicContact CE1-CG2 4.16Å; F131-V176 HydrophobicContact CG-CG2 4.35Å; A172-V176 WeakPolarHBondContact O-CB 3.4Å; A172-V176 VanDerWaalsContact O-CG2 3.27Å; A172-V176 WeakPolarHBondContact O-CG2 3.45Å; A172-V176 PolarHBondContact O-N 3.36Å; R173-V176 PolarHBondContact O-N 3.16Å; V176-Y178 VanDerWaalsContact C-N 3.33Å; V176-S230 VanDerWaalsContact O-CB 3.29Å; V176-S230 WeakPolarHBondContact O-CB 3.22Å; V176-S230 PolarHBondContact O-OG 3.31Å; V176-F232 HydrophobicContact CG1-CD2 3.74Å; V176-F232 HydrophobicContact CG1-CE2 3.5Å; V176-F232 VanDerWaalsContact CG1-CE2 3.5Å; V176-F232 HydrophobicContact CG1-CZ 4.46Å; V176-F243 HydrophobicContact CG1-CE1 3.79Å; V176-F243 HydrophobicContact CG1-CZ 4.23Å
177R97.1Very high96.4Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-85.2-4.5179.5-65.4174.274.8-149.57.2113.5R173 T179 D189 F217 M239 I240 F243R173-R177 VanDerWaalsContact CG-CD 3.5Å; R173-R177 HydrophobicContact CG-CG 4.31Å; R173-R177 VanDerWaalsContact O-CB 3.27Å; R173-R177 WeakPolarHBondContact O-CB 2.9Å; R173-R177 VanDerWaalsContact O-CG 3.31Å; R173-R177 WeakPolarHBondContact O-CG 2.98Å; R173-R177 PolarHBondContact O-N 3.2Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 HydrophobicContact CB-CG2 3.94Å; R177-T179 PolarHBondContact O-N 3.08Å; R177-D189 VanDerWaalsContact NH1-CG 3.29Å; R177-D189 IonicContact NH1-OD1 2.77Å; R177-D189 PolarHBondContact NH1-OD1 3.24Å; R177-F217 HydrophobicContact CB-CZ 4.19Å; R177-F217 VanDerWaalsContact NH2-CE2 3.27Å; R177-M239 PolarHBondContact NE-O 3.47Å; R177-M239 PolarHBondContact NH2-O 2.9Å; R177-I240 VanDerWaalsContact NH2-CD1 3.31Å; R177-F243 HydrophobicContact CG-CD1 3.69Å; R177-F243 HydrophobicContact CG-CD2 4.24Å; R177-F243 HydrophobicContact CG-CE1 3.64Å; R177-F243 HydrophobicContact CG-CE2 4.22Å; R177-F243 HydrophobicContact CG-CG 3.99Å; R177-F243 HydrophobicContact CG-CZ 3.93Å
178Y97.2Very high96.4Very high42 Ų4225.6 Ų25.617%0.16513%0.134CC..THydrogen-bonded Turntrans53.748.1-173-74.2-103.9000112.5F131 N132 S174 D175 V176 K227F131-Y178 HydrophobicContact CB-CE2 4.36Å; F131-Y178 PolarHBondContact N-OH 2.91Å; N132-Y178 HydrophobicContact CB-CE2 4.49Å; N132-Y178 PolarHBondContact N-OH 2.94Å; N132-Y178 VanDerWaalsContact OD1-CE2 3.29Å; N132-Y178 WeakPolarHBondContact OD1-CE2 3.45Å; S174-Y178 CarbonylContact O-C 3.59Å; S174-Y178 WeakPolarHBondContact O-CA 3.35Å; S174-Y178 PolarHBondContact O-N 3.37Å; D175-Y178 PolarHBondContact O-N 3.48Å; V176-Y178 VanDerWaalsContact C-N 3.33Å; Y178-K227 WeakPolarHBondContact O-CA 3.39Å; Y178-K227 WeakPolarHBondContact O-CB 3.33Å; Y178-K227 PolarHBondContact O-N 3.48Å
179T97.6Very high96.4Very high1 Ų125.8 Ų25.81%0.00614%0.135CC..BIsolated β-bridgetrans-112.5169.2176.862.40000112.3S174 R177 F217 H225 K227S174-T179 WeakPolarHBondContact CA-OG1 3.39Å; S174-T179 PolarHBondContact O-N 3.4Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 HydrophobicContact CB-CG2 3.94Å; R177-T179 PolarHBondContact O-N 3.08Å; T179-F217 HydrophobicContact CG2-CE2 3.57Å; T179-F217 HydrophobicContact CG2-CZ 3.78Å; T179-H225 CarbonylContact C-O 3.44Å; T179-H225 VanDerWaalsContact CA-O 3.23Å; T179-H225 WeakPolarHBondContact CA-O 3.19Å; T179-H225 WeakPolarHBondContact CB-O 3.34Å; T179-H225 WeakPolarHBondContact CG2-NE2 3.28Å; T179-K227 WeakPolarHBondContact O-CD 3.32Å
180V97.1Very high96.4Very high26 Ų2624.6 Ų24.616%0.15813%0.128CC..  trans-65.2139.9169.7174.30000109.9I224 H225 K227V180-I224 WeakPolarHBondContact CG2-O 3.35Å; V180-H225 PolarHBondContact N-O 3.26Å; V180-K227 HydrophobicContact CG2-CG 4.36Å
181N95.6Very high96.4Very high41 Ų4124 Ų2422%0.21912%0.123CC..  trans-66161.6-177.7-158.9-11.9000110.9N183 G184N181-N183 PolarHBondContact O-N 3.38Å; N181-G184 PolarHBondContact O-N 2.78Å
182H93.8Very high96.5Very high64 Ų6424.1 Ų24.130%0.29612%0.123SC..THydrogen-bonded Turntrans-54-20.3-177.167.9-86.5000115A170 Y384A170-H182 HydrophobicContact CB-CB 4.09Å; H182-Y384 HydrophobicContact CB-CD1 3.73Å; H182-Y384 HydrophobicContact CB-CD2 3.71Å; H182-Y384 HydrophobicContact CB-CE1 4.04Å; H182-Y384 HydrophobicContact CB-CE2 3.99Å; H182-Y384 HydrophobicContact CB-CG 3.57Å; H182-Y384 WeakPolarHBondContact O-CB 3.36Å
183N95.1Very high96.6Very high84 Ų8424.2 Ų24.245%0.44912%0.123SC..THydrogen-bonded Turntrans-97.15.5178.368-4.1000114.2N181 M202N181-N183 PolarHBondContact O-N 3.38Å; N183-M202 VanDerWaalsContact O-CB 3.27Å; N183-M202 WeakPolarHBondContact O-CB 3.08Å; N183-M202 WeakPolarHBondContact O-CE 3.43Å; N183-M202 WeakPolarHBondContact O-CG 3.44Å
184G96Very high96.7Very high12 Ų1227.7 Ų27.712%0.12414%0.143CC..SBendtrans-89.1166.4177.900000113.6N181 A186 G187N181-G184 PolarHBondContact O-N 2.78Å; G184-A186 PolarHBondContact O-N 2.81Å; G184-G187 PolarHBondContact O-N 2.86Å
185K97Very high96.7Very high128 Ų12827.9 Ų27.956%0.55715%0.145SC*.THydrogen-bonded Turntrans-58.4-47.2-176.3-172.8177.4-179.1-179.70112.1N194 G195K185-N194 HydrophobicContact CG-CB 4.38Å; K185-N194 CarbonylContact O-C 3.52Å; K185-N194 WeakPolarHBondContact O-CA 3.5Å; K185-G195 PolarHBondContact O-N 2.67Å
186A97.6Very high96.7Very high1 Ų131.5 Ų31.51%0.00816%0.156CC..THydrogen-bonded Turntrans-100.946.9172.400000110.8G184 C188 I224 H225G184-A186 PolarHBondContact O-N 2.81Å; A186-C188 PolarHBondContact O-N 3.23Å; A186-I224 HydrophobicContact CB-CD1 3.81Å; A186-I224 HydrophobicContact CB-CG1 3.75Å; A186-H225 HydrophobicContact CB-CB 4.06Å; A186-H225 PolarHBondContact O-ND1 2.88Å
187G96.9Very high96.8Very high0 Ų039.5 Ų39.50%019%0.185CC..  trans-79-10.7-171.700000115.7G184 Y384G184-G187 PolarHBondContact O-N 2.86Å; G187-Y384 VanDerWaalsContact O-CE2 3.27Å; G187-Y384 WeakPolarHBondContact O-CE2 3.42Å
188C97.4Very high96.7Very high0 Ų041.8 Ų41.80%020%0.197CC..  trans-73.5129.5178.8-172.80000111.3A186 R190 V193 F204 R212 H225 H387A186-C188 PolarHBondContact O-N 3.23Å; C188-R190 VanDerWaalsContact C-N 3.33Å; C188-V193 HydrophobicContact CB-CG1 3.57Å; C188-F204 HydrophobicContact CB-CE1 4.39Å; C188-R212 PolarHBondContact O-NE 3.21Å; C188-R212 PolarHBondContact O-NH2 2.81Å; C188-H225 PolarHBondContact O-CE1 2.91Å; C188-H387 PolarHBondContact SG-NE2 3.22Å
189D95.8Very high96.5Very high4 Ų446.1 Ų46.12%0.02122%0.223CC..SBendtrans-78.2-18.1-179.5-72.5-48.5000113.4R173 R177 Y384R173-D189 IonicContact CZ-OD2 2.65Å; R173-D189 IonicContact NE-OD2 4Å; R173-D189 PolarHBondContact NE-OD2 3.49Å; R173-D189 IonicContact NH2-OD2 3.61Å; R173-D189 PolarHBondContact NH2-OD2 3.01Å; R177-D189 VanDerWaalsContact NH1-CG 3.29Å; R177-D189 IonicContact NH1-OD1 2.77Å; R177-D189 PolarHBondContact NH1-OD1 3.24Å; D189-Y384 PolarHBondContact OD2-OH 3.02Å
190R96.7Very high96.3Very high7 Ų749 Ų493%0.02625%0.254CS..SBendtrans-111.6-28.2-167.6-67.4-82-179.4-109.6-7.9113.6C188 L211 R212 I240 F243 P244 L245 H391 D395C188-R190 VanDerWaalsContact C-N 3.33Å; R190-L211 CarbonylContact O-C 3.56Å; R190-L211 VanDerWaalsContact O-CA 3.31Å; R190-L211 WeakPolarHBondContact O-CA 3.49Å; R190-R212 PolarHBondContact O-N 3.28Å; R190-I240 VanDerWaalsContact NH1-C 3.31Å; R190-I240 PolarHBondContact NH1-O 3.29Å; R190-F243 PolarHBondContact NH2-O 3.12Å; R190-P244 VanDerWaalsContact NH2-CA 3.28Å; R190-L245 HydrophobicContact CG-CD1 4.13Å; R190-H391 HydrophobicContact CB-CB 3.88Å; R190-H391 VanDerWaalsContact CB-CD2 3.47Å; R190-H391 WeakPolarHBondContact CB-CD2 3.47Å; R190-H391 VanDerWaalsContact CB-CG 3.44Å; R190-H391 HydrophobicContact CG-CB 3.6Å; R190-D395 IonicContact CZ-OD1 2.66Å; R190-D395 VanDerWaalsContact CZ-OD1 3.23Å; R190-D395 IonicContact CZ-OD2 3.03Å; R190-D395 IonicContact NE-OD1 2.79Å; R190-D395 IonicContact NE-OD2 2.85Å; R190-D395 IonicContact NH2-OD1 3.97Å; R190-D395 PolarHBondContact NH2-OD1 3.32Å; R190-D395 IonicContact NH2-OD2 2.81Å; R190-D395 PolarHBondContact NH2-OD2 3.12Å
191C97.5Very high96.2Very high1 Ų151.8 Ų51.81%0.00726%0.264CS..BIsolated β-bridgetrans-139.5166.9179.972.80000112.4V193 T210 L211 R212 H387C191-V193 PolarHBondContact O-N 3.08Å; C191-V193 WeakPolarHBondContact SG-CG1 3.43Å; C191-T210 VanDerWaalsContact CA-O 3.29Å; C191-T210 WeakPolarHBondContact CA-O 3.39Å; C191-T210 WeakPolarHBondContact CB-O 3.49Å; C191-L211 HydrophobicContact CB-CD2 4.02Å; C191-R212 PolarHBondContact O-NH2 3.25Å; C191-H387 PolarHBondContact SG-NE2 2.91Å; C191-H387 VanDerWaalsContact SG-NE2 3.44Å
192V97.7Very high96.2Very high47 Ų4751.1 Ų51.129%0.28526%0.259SS..  trans-83.18.8-173.4-56.90000114.5N194 T210 R212 Q222V192-N194 PolarHBondContact O-N 2.85Å; V192-T210 PolarHBondContact N-O 2.88Å; V192-R212 HydrophobicContact CG1-CG 4.49Å; V192-Q222 PolarHBondContact O-NE2 3.07Å
193V97.6Very high96.4Very high2 Ų248.1 Ų48.11%0.01225%0.245CC..  trans-52.3135.7-177.162.80000112C188 C191 F204 Y209C188-V193 HydrophobicContact CB-CG1 3.57Å; C191-V193 PolarHBondContact O-N 3.08Å; C191-V193 WeakPolarHBondContact SG-CG1 3.43Å; V193-F204 HydrophobicContact CG1-CD1 3.63Å; V193-F204 HydrophobicContact CG1-CE1 4.28Å; V193-F204 HydrophobicContact CG1-CG 4.5Å; V193-F204 HydrophobicContact CG2-CD1 4.3Å; V193-Y209 HydrophobicContact CB-CD1 3.84Å; V193-Y209 HydrophobicContact CB-CD2 3.79Å; V193-Y209 HydrophobicContact CB-CE1 4.02Å; V193-Y209 HydrophobicContact CB-CE2 3.95Å; V193-Y209 HydrophobicContact CB-CG 3.72Å; V193-Y209 HydrophobicContact CG2-CD1 4.01Å; V193-Y209 HydrophobicContact CG2-CD2 3.97Å; V193-Y209 HydrophobicContact CG2-CE1 3.64Å; V193-Y209 HydrophobicContact CG2-CE2 3.57Å; V193-Y209 HydrophobicContact CG2-CG 4.17Å; V193-Y209 VanDerWaalsContact CG2-CZ 3.4Å
194N97.4Very high96.5Very high79 Ų7944.1 Ų44.142%0.42222%0.224SC..  trans-94.2113.9168.4-72.1-43.6000109.1K185 V192 Q222K185-N194 HydrophobicContact CG-CB 4.38Å; K185-N194 CarbonylContact O-C 3.52Å; K185-N194 WeakPolarHBondContact O-CA 3.5Å; V192-N194 PolarHBondContact O-N 2.85Å; N194-Q222 PolarHBondContact OD1-NE2 2.96Å
195G97.2Very high96.5Very high6 Ų644.9 Ų44.96%0.06223%0.227CC..  trans-67.4160.8169.900000112.8K185 M202 T203K185-G195 PolarHBondContact O-N 2.67Å; G195-M202 VanDerWaalsContact C-SD 3.55Å; G195-T203 CarbonylContact C-O 3.57Å; G195-T203 WeakPolarHBondContact CA-O 3.12Å
196R97Very high96.4Very high112 Ų11240.7 Ų40.742%0.42321%0.21SC..EExtended strand (participates in β ladder)trans-127.7151176.659.6-178.8-178-1782.7109.9L198 T203 P205R196-L198 HydrophobicContact CG-CD1 4.41Å; R196-L198 HydrophobicContact CG-CG 4.23Å; R196-T203 PolarHBondContact N-O 3.11Å; R196-T203 PolarHBondContact O-N 3.15Å; R196-T203 PolarHBondContact O-OG1 3.24Å; R196-P205 HydrophobicContact CG-CG 4.39Å
197R96.7Very high96.2Very high173 Ų17342.4 Ų42.465%0.65323%0.228SC*.EExtended strand (participates in β ladder)trans-85.8123.5173.7-80-173175.6-1014.2110.3G200 K201 M202R197-G200 PolarHBondContact NH1-O 3.35Å; R197-K201 CarbonylContact C-O 3.52Å; R197-K201 VanDerWaalsContact CA-O 3.25Å; R197-K201 WeakPolarHBondContact CA-O 3.23Å; R197-M202 HydrophobicContact CG-CE 3.81Å
198L95.9Very high96.1Very high48 Ų4849.4 Ų49.425%0.25126%0.261SS..EExtended strand (participates in β ladder)trans-132.6131.9172.9-62.5179000108.3R196 G200 K201 T203 C379 E380R196-L198 HydrophobicContact CG-CD1 4.41Å; R196-L198 HydrophobicContact CG-CG 4.23Å; L198-G200 PolarHBondContact O-N 2.87Å; L198-G200 VanDerWaalsContact O-N 3.13Å; L198-K201 PolarHBondContact N-O 3.44Å; L198-K201 WeakPolarHBondContact O-CB 3.28Å; L198-K201 PolarHBondContact O-N 2.99Å; L198-K201 VanDerWaalsContact O-O 3.13Å; L198-T203 HydrophobicContact CB-CG2 4.42Å; L198-C379 WeakPolarHBondContact CD1-SG 3.41Å; L198-E380 HydrophobicContact CB-CB 4.01Å
199D92.7Very high96Very high132 Ų13252.9 Ų52.971%0.70628%0.275SS*.THydrogen-bonded Turntrans46.743.9-179.2-68.2-3.7000114.2K201 E380D199-K201 PolarHBondContact O-N 3.01Å; D199-K201 VanDerWaalsContact O-N 3.14Å; D199-E380 HydrophobicContact CB-CB 4.39Å
200G92.9Very high96.1Very high63 Ų6357.7 Ų57.765%0.64930%0.304SS*.THydrogen-bonded Turntrans73.8-4.3-179.300000115.3R197 L198R197-G200 PolarHBondContact NH1-O 3.35Å; L198-G200 PolarHBondContact O-N 2.87Å; L198-G200 VanDerWaalsContact O-N 3.13Å
201K94.7Very high96.1Very high84 Ų8461.5 Ų61.537%0.36533%0.325SS..EExtended strand (participates in β ladder)trans-102147.7-179-60.1164.9-173.7163.70110.7R197 L198 D199 T203R197-K201 CarbonylContact C-O 3.52Å; R197-K201 VanDerWaalsContact CA-O 3.25Å; R197-K201 WeakPolarHBondContact CA-O 3.23Å; L198-K201 PolarHBondContact N-O 3.44Å; L198-K201 WeakPolarHBondContact O-CB 3.28Å; L198-K201 PolarHBondContact O-N 2.99Å; L198-K201 VanDerWaalsContact O-O 3.13Å; D199-K201 PolarHBondContact O-N 3.01Å; D199-K201 VanDerWaalsContact O-N 3.14Å; K201-T203 HydrophobicContact CB-CG2 4.46Å
202M97.5Very high96.1Very high26 Ų2662 Ų6213%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-82.9125.6166.5-175.261.165.600109.1N183 G195 R197 F204N183-M202 VanDerWaalsContact O-CB 3.27Å; N183-M202 WeakPolarHBondContact O-CB 3.08Å; N183-M202 WeakPolarHBondContact O-CE 3.43Å; N183-M202 WeakPolarHBondContact O-CG 3.44Å; G195-M202 VanDerWaalsContact C-SD 3.55Å; R197-M202 HydrophobicContact CG-CE 3.81Å; M202-F204 HydrophobicContact CG-CE2 4.17Å; M202-F204 HydrophobicContact CG-CZ 4.13Å
203T97.7Very high96.1Very high1 Ų163.3 Ų63.31%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-125.4152.5179.269.40000111.6G195 R196 L198 K201 E380 L382G195-T203 CarbonylContact C-O 3.57Å; G195-T203 WeakPolarHBondContact CA-O 3.12Å; R196-T203 PolarHBondContact N-O 3.11Å; R196-T203 PolarHBondContact O-N 3.15Å; R196-T203 PolarHBondContact O-OG1 3.24Å; L198-T203 HydrophobicContact CB-CG2 4.42Å; K201-T203 HydrophobicContact CB-CG2 4.46Å; T203-E380 VanDerWaalsContact CG2-O 3.27Å; T203-E380 WeakPolarHBondContact CG2-O 3.46Å; T203-L382 CarbonylContact C-O 3.28Å; T203-L382 VanDerWaalsContact CA-O 3.23Å; T203-L382 WeakPolarHBondContact CA-O 3.1Å; T203-L382 WeakPolarHBondContact CB-O 3.31Å
204F97.4Very high96.1Very high1 Ų164.8 Ų64.80%0.00434%0.343CS..  trans-116.8112.1-178.1-62.9-86.5000107.6C188 V193 M202 L382 Y384 H387C188-F204 HydrophobicContact CB-CE1 4.39Å; V193-F204 HydrophobicContact CG1-CD1 3.63Å; V193-F204 HydrophobicContact CG1-CE1 4.28Å; V193-F204 HydrophobicContact CG1-CG 4.5Å; V193-F204 HydrophobicContact CG2-CD1 4.3Å; M202-F204 HydrophobicContact CG-CE2 4.17Å; M202-F204 HydrophobicContact CG-CZ 4.13Å; F204-L382 PolarHBondContact N-O 3.21Å; F204-Y384 HydrophobicContact CE2-CD2 4.33Å; F204-Y384 HydrophobicContact CZ-CD2 4.49Å; F204-H387 HydrophobicContact CB-CB 3.76Å; F204-H387 HydrophobicContact CD2-CB 4.36Å; F204-H387 HydrophobicContact CG-CB 4.29Å
205P95.9Very high96.2Very high28 Ų2866.4 Ų66.418%0.18235%0.351CS..  trans-59.1152.1-178.3-20.931.4000111.9R196 Y209R196-P205 HydrophobicContact CG-CG 4.39Å; P205-Y209 WeakPolarHBondContact O-CE2 3.4Å; P205-Y209 PolarHBondContact O-OH 3.13Å; P205-Y209 VanDerWaalsContact O-OH 3.12Å
206N94.9Very high96.2Very high39 Ų3967.3 Ų67.321%0.20936%0.357CS..SBendtrans-67.7139.4169.5-75.6-29000109.9L370 E374N206-L370 PolarHBondContact ND2-O 2.82Å; N206-L370 WeakPolarHBondContact OD1-CB 3.15Å; N206-E374 PolarHBondContact ND2-OE2 3.09Å
207G93.1Very high96.2Very high37 Ų3762 Ų6238%0.38134%0.337SS..SBendtrans165.9169.5-178.900000111.7Y209G207-Y209 WeakPolarHBondContact O-CD2 3.34Å; G207-Y209 WeakPolarHBondContact O-CE2 3.28Å
208E93.4Very high96.3Very high148 Ų14856.9 Ų56.969%0.69232%0.317SS*.  trans-93.2122.8170.1-61.4-167.7155.600108.5R367E208-R367 IonicContact OE1-NH1 3.39Å; E208-R367 PolarHBondContact OE1-NH1 3.11Å; E208-R367 VanDerWaalsContact OE1-NH1 3.13Å
209Y96.1Very high96.3Very high72 Ų7260.4 Ų60.428%0.28234%0.336SS..  trans-125.3143.8-176.8-58.9-76000109.5V193 P205 G207 L211V193-Y209 HydrophobicContact CB-CD1 3.84Å; V193-Y209 HydrophobicContact CB-CD2 3.79Å; V193-Y209 HydrophobicContact CB-CE1 4.02Å; V193-Y209 HydrophobicContact CB-CE2 3.95Å; V193-Y209 HydrophobicContact CB-CG 3.72Å; V193-Y209 HydrophobicContact CG2-CD1 4.01Å; V193-Y209 HydrophobicContact CG2-CD2 3.97Å; V193-Y209 HydrophobicContact CG2-CE1 3.64Å; V193-Y209 HydrophobicContact CG2-CE2 3.57Å; V193-Y209 HydrophobicContact CG2-CG 4.17Å; V193-Y209 VanDerWaalsContact CG2-CZ 3.4Å; P205-Y209 WeakPolarHBondContact O-CE2 3.4Å; P205-Y209 PolarHBondContact O-OH 3.13Å; P205-Y209 VanDerWaalsContact O-OH 3.12Å; G207-Y209 WeakPolarHBondContact O-CD2 3.34Å; G207-Y209 WeakPolarHBondContact O-CE2 3.28Å; Y209-L211 PolarHBondContact O-N 3.02Å
210T97.5Very high96.6Very high105 Ų10556.6 Ų56.664%0.64431%0.314SS*.PPolyproline II helixtrans-55.7128173.2-49.20000110C191 V192C191-T210 VanDerWaalsContact CA-O 3.29Å; C191-T210 WeakPolarHBondContact CA-O 3.39Å; C191-T210 WeakPolarHBondContact CB-O 3.49Å; V192-T210 PolarHBondContact N-O 2.88Å
211L97.7Very high96.8Very high87 Ų8758.7 Ų58.746%0.45532%0.315SS..BIsolated β-bridgetrans-72.7147.1175.8-61.7-178.4000110.1R190 C191 Y209R190-L211 CarbonylContact O-C 3.56Å; R190-L211 VanDerWaalsContact O-CA 3.31Å; R190-L211 WeakPolarHBondContact O-CA 3.49Å; C191-L211 HydrophobicContact CB-CD2 4.02Å; Y209-L211 PolarHBondContact O-N 3.02Å
212R97.6Very high96.9Very high13 Ų1356 Ų565%0.04930%0.303CS..PPolyproline II helixtrans-72.9136.6168.2-60.8-167.8-174.2-62.3-6108.7C188 R190 C191 V192 H225 I240C188-R212 PolarHBondContact O-NE 3.21Å; C188-R212 PolarHBondContact O-NH2 2.81Å; R190-R212 PolarHBondContact O-N 3.28Å; C191-R212 PolarHBondContact O-NH2 3.25Å; V192-R212 HydrophobicContact CG1-CG 4.49Å; R212-H225 PolarHBondContact NE-NE2 3.33Å; R212-H225 PolarHBondContact NH2-ND1 2.98Å; R212-I240 HydrophobicContact CB-CD1 3.62Å; R212-I240 HydrophobicContact CB-CG1 4.09Å
213T97.7Very high96.8Very high74 Ų7463.6 Ų63.645%0.45433%0.332SS..  trans-106.9162.8167.964.40000109.9D215 S216 F217T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.21Å; T213-S216 PolarHBondContact N-OG 3.48Å; T213-S216 PolarHBondContact O-N 3.29Å; T213-S216 PolarHBondContact O-OG 3.5Å; T213-S216 WeakPolarHBondContact OG1-CB 3.34Å; T213-S216 PolarHBondContact OG1-N 3.14Å; T213-S216 VanDerWaalsContact OG1-N 3.08Å; T213-S216 PolarHBondContact OG1-OG 2.87Å; T213-F217 WeakPolarHBondContact O-CB 3.34Å; T213-F217 PolarHBondContact O-N 2.92Å
214D97.7Very high96.8Very high33 Ų3366.3 Ų66.318%0.17635%0.346CS..Hα-helixtrans-52.5-46.2171.5-172.853.8000111.6S216 F217 R218 D238 M239D214-S216 PolarHBondContact O-N 3.48Å; D214-F217 WeakPolarHBondContact O-CB 3.34Å; D214-F217 PolarHBondContact O-N 3.15Å; D214-F217 VanDerWaalsContact O-N 3.14Å; D214-R218 WeakPolarHBondContact O-CG 3.45Å; D214-R218 PolarHBondContact O-N 3.29Å; D214-R218 IonicContact OD1-CZ 3.12Å; D214-R218 IonicContact OD1-NE 2.86Å; D214-R218 PolarHBondContact OD1-NE 2.68Å; D214-R218 IonicContact OD1-NH2 2.62Å; D214-R218 VanDerWaalsContact OD2-CD 3.32Å; D214-R218 WeakPolarHBondContact OD2-CD 3.39Å; D214-R218 IonicContact OD2-CZ 3.63Å; D214-R218 IonicContact OD2-NE 3.61Å; D214-R218 PolarHBondContact OD2-NE 3.14Å; D214-R218 IonicContact OD2-NH2 2.84Å; D214-D238 HydrophobicContact CB-CB 4.48Å; D214-M239 WeakPolarHBondContact OD1-CB 3.1Å; D214-M239 WeakPolarHBondContact OD1-CG 3.49Å; D214-M239 PolarHBondContact OD1-N 3.08Å
215D98Very high96.8Very high112 Ų11266.3 Ų66.360%0.59935%0.346SS*.Hα-helixtrans-58.3-47.1176-68.1-34000112.5T213 F217 R218 N219T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.21Å; D215-F217 PolarHBondContact O-N 3.43Å; D215-R218 PolarHBondContact O-N 3.11Å; D215-N219 VanDerWaalsContact O-CB 3.29Å; D215-N219 WeakPolarHBondContact O-CB 3.02Å; D215-N219 PolarHBondContact O-N 3.28Å; D215-N219 PolarHBondContact O-ND2 3.1Å
216S97.8Very high96.9Very high26 Ų2665.8 Ų65.818%0.18234%0.341CS..Hα-helixtrans-65.3-30.2179.874.50000112.2T213 D214 Q220 T221T213-S216 PolarHBondContact N-OG 3.48Å; T213-S216 PolarHBondContact O-N 3.29Å; T213-S216 PolarHBondContact O-OG 3.5Å; T213-S216 WeakPolarHBondContact OG1-CB 3.34Å; T213-S216 PolarHBondContact OG1-N 3.14Å; T213-S216 VanDerWaalsContact OG1-N 3.08Å; T213-S216 PolarHBondContact OG1-OG 2.87Å; D214-S216 PolarHBondContact O-N 3.48Å; S216-Q220 PolarHBondContact O-N 2.99Å; S216-T221 PolarHBondContact O-N 3.16Å; S216-T221 PolarHBondContact O-OG1 3.09Å
217F98.1Very high96.9Very high0 Ų070.3 Ų70.30%036%0.359CS..Hα-helixtrans-74.8-49.8178.9-173.6-82000110.9R177 T179 T213 D214 D215 N219 Q220 H226 E233 M239 I240R177-F217 HydrophobicContact CB-CZ 4.19Å; R177-F217 VanDerWaalsContact NH2-CE2 3.27Å; T179-F217 HydrophobicContact CG2-CE2 3.57Å; T179-F217 HydrophobicContact CG2-CZ 3.78Å; T213-F217 WeakPolarHBondContact O-CB 3.34Å; T213-F217 PolarHBondContact O-N 2.92Å; D214-F217 WeakPolarHBondContact O-CB 3.34Å; D214-F217 PolarHBondContact O-N 3.15Å; D214-F217 VanDerWaalsContact O-N 3.14Å; D215-F217 PolarHBondContact O-N 3.43Å; F217-N219 VanDerWaalsContact C-N 3.34Å; F217-N219 PolarHBondContact O-N 2.99Å; F217-Q220 WeakPolarHBondContact O-CA 3.44Å; F217-Q220 PolarHBondContact O-N 3.2Å; F217-H226 AromaticContact CD2-CE1 3.6Å; F217-H226 AromaticContact CE2-CE1 3.69Å; F217-H226 AromaticContact CG-CE1 3.84Å; F217-H226 PolarHBondContact O-CE1 3.26Å; F217-E233 HydrophobicContact CE1-CG 4.38Å; F217-M239 HydrophobicContact CB-CB 4.44Å; F217-M239 HydrophobicContact CD1-CB 3.52Å; F217-M239 HydrophobicContact CD1-CE 4.45Å; F217-M239 HydrophobicContact CD1-CG 3.97Å; F217-M239 HydrophobicContact CE1-CB 3.95Å; F217-M239 HydrophobicContact CE1-CE 3.76Å; F217-M239 HydrophobicContact CE1-CG 4.23Å; F217-M239 HydrophobicContact CG-CB 3.97Å; F217-M239 HydrophobicContact CZ-CE 4.29Å; F217-I240 HydrophobicContact CB-CD1 4Å; F217-I240 HydrophobicContact CD2-CD1 3.82Å; F217-I240 HydrophobicContact CG-CD1 4.17Å
218R97.6Very high97.1Very high65 Ų6569.7 Ų69.725%0.24535%0.352CS..Hα-helixtrans-64.8-38.2-179.4-69.9171.8176.6-82.41112.1D214 D215 Q220 E233 L235 I237D214-R218 WeakPolarHBondContact O-CG 3.45Å; D214-R218 PolarHBondContact O-N 3.29Å; D214-R218 IonicContact OD1-CZ 3.12Å; D214-R218 IonicContact OD1-NE 2.86Å; D214-R218 PolarHBondContact OD1-NE 2.68Å; D214-R218 IonicContact OD1-NH2 2.62Å; D214-R218 VanDerWaalsContact OD2-CD 3.32Å; D214-R218 WeakPolarHBondContact OD2-CD 3.39Å; D214-R218 IonicContact OD2-CZ 3.63Å; D214-R218 IonicContact OD2-NE 3.61Å; D214-R218 PolarHBondContact OD2-NE 3.14Å; D214-R218 IonicContact OD2-NH2 2.84Å; D215-R218 PolarHBondContact O-N 3.11Å; R218-Q220 PolarHBondContact O-N 2.79Å; R218-E233 PolarHBondContact NH1-O 3.22Å; R218-L235 PolarHBondContact NH2-O 3.29Å; R218-I237 PolarHBondContact NH2-O 2.95Å
219N97.3Very high97.2Very high122 Ų12267.7 Ų67.765%0.65234%0.343SS*.THydrogen-bonded Turntrans-80.20.2173.6-65.9-52.9000113.4D215 F217 T221D215-N219 VanDerWaalsContact O-CB 3.29Å; D215-N219 WeakPolarHBondContact O-CB 3.02Å; D215-N219 PolarHBondContact O-N 3.28Å; D215-N219 PolarHBondContact O-ND2 3.1Å; F217-N219 VanDerWaalsContact C-N 3.34Å; F217-N219 PolarHBondContact O-N 2.99Å; N219-T221 PolarHBondContact O-N 3.17Å; N219-T221 VanDerWaalsContact O-N 3.15Å
220Q97.3Very high97.2Very high52 Ų5264.5 Ų64.524%0.24333%0.331CS..THydrogen-bonded Turntrans48.640.6-179.2-56.9-171.6-10.600113.9S216 F217 R218 Q222 Y223 H226 G228 H229S216-Q220 PolarHBondContact O-N 2.99Å; F217-Q220 WeakPolarHBondContact O-CA 3.44Å; F217-Q220 PolarHBondContact O-N 3.2Å; R218-Q220 PolarHBondContact O-N 2.79Å; Q220-Q222 CarbonylContact O-C 3.51Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q220-Y223 PolarHBondContact O-N 3.33Å; Q220-H226 HydrophobicContact CB-CB 4.36Å; Q220-H226 HydrophobicContact CG-CB 4.13Å; Q220-G228 PolarHBondContact NE2-O 3.38Å; Q220-H229 PolarHBondContact NE2-CE1 3.05Å; Q220-H229 PolarHBondContact NE2-ND1 3.3Å; Q220-H229 PolarHBondContact NE2-NE2 2.82Å
221T97.1Very high97.2Very high107 Ų10762.3 Ų62.366%0.65632%0.315SS*.SBendtrans-56-31.1-170.6-52.40000113S216 N219S216-T221 PolarHBondContact O-N 3.16Å; S216-T221 PolarHBondContact O-OG1 3.09Å; N219-T221 PolarHBondContact O-N 3.17Å; N219-T221 VanDerWaalsContact O-N 3.15Å
222Q96.6Very high97.2Very high28 Ų2858.3 Ų58.313%0.13129%0.294CS..SBendtrans-103.280.7169.3-171175.915.400110.6V192 N194 Q220 I224 H225 H226V192-Q222 PolarHBondContact O-NE2 3.07Å; N194-Q222 PolarHBondContact OD1-NE2 2.96Å; Q220-Q222 CarbonylContact O-C 3.51Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q222-I224 HydrophobicContact CG-CG1 3.81Å; Q222-I224 PolarHBondContact O-N 2.97Å; Q222-H225 HydrophobicContact CB-CB 4.43Å; Q222-H225 HydrophobicContact CG-CB 4.38Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.26Å; Q222-H225 PolarHBondContact O-N 3.48Å; Q222-H226 PolarHBondContact O-CD2 2.98Å
223Y96.6Very high97.1Very high186 Ų18658.9 Ų58.973%0.72930%0.297SS*.G310 helixtrans-47.6-38.9-173.378.2-86000114.7Q220 H225 H226Q220-Y223 PolarHBondContact O-N 3.33Å; Y223-H225 PolarHBondContact O-N 3.4Å; Y223-H225 VanDerWaalsContact O-N 3.13Å; Y223-H226 PolarHBondContact O-N 2.86Å; Y223-H226 VanDerWaalsContact O-N 3.08Å
224I97.2Very high97.1Very high58 Ų5858.3 Ų58.330%0.29730%0.296SS..G310 helixtrans-65.4-13.6179.259.7169.6000114.6V180 A186 Q222V180-I224 WeakPolarHBondContact CG2-O 3.35Å; A186-I224 HydrophobicContact CB-CD1 3.81Å; A186-I224 HydrophobicContact CB-CG1 3.75Å; Q222-I224 HydrophobicContact CG-CG1 3.81Å; Q222-I224 PolarHBondContact O-N 2.97Å
225H97.7Very high97Very high0 Ų057 Ų570%029%0.289CS..G310 helixtrans-83.7-25.4174.7179.165.3000112T179 V180 A186 C188 R212 Q222 Y223T179-H225 CarbonylContact C-O 3.44Å; T179-H225 VanDerWaalsContact CA-O 3.23Å; T179-H225 WeakPolarHBondContact CA-O 3.19Å; T179-H225 WeakPolarHBondContact CB-O 3.34Å; T179-H225 WeakPolarHBondContact CG2-NE2 3.28Å; V180-H225 PolarHBondContact N-O 3.26Å; A186-H225 HydrophobicContact CB-CB 4.06Å; A186-H225 PolarHBondContact O-ND1 2.88Å; C188-H225 PolarHBondContact O-CE1 2.91Å; R212-H225 PolarHBondContact NE-NE2 3.33Å; R212-H225 PolarHBondContact NH2-ND1 2.98Å; Q222-H225 HydrophobicContact CB-CB 4.43Å; Q222-H225 HydrophobicContact CG-CB 4.38Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.26Å; Q222-H225 PolarHBondContact O-N 3.48Å; Y223-H225 PolarHBondContact O-N 3.4Å; Y223-H225 VanDerWaalsContact O-N 3.13Å
226H97.6Very high96.9Very high18 Ų1856.6 Ų56.68%0.08329%0.293CS..BIsolated β-bridgetrans-100.4149.5-171.1-61.9-90.6000111.9F217 Q220 Q222 Y223F217-H226 AromaticContact CD2-CE1 3.6Å; F217-H226 AromaticContact CE2-CE1 3.69Å; F217-H226 AromaticContact CG-CE1 3.84Å; F217-H226 PolarHBondContact O-CE1 3.26Å; Q220-H226 HydrophobicContact CB-CB 4.36Å; Q220-H226 HydrophobicContact CG-CB 4.13Å; Q222-H226 PolarHBondContact O-CD2 2.98Å; Y223-H226 PolarHBondContact O-N 2.86Å; Y223-H226 VanDerWaalsContact O-N 3.08Å
227K96Very high96.8Very high133 Ų13356.3 Ų56.358%0.57829%0.289SS*.SBendtrans-1261.3177.1-67.6-175175.4168.60113.3Y178 T179 V180Y178-K227 WeakPolarHBondContact O-CA 3.39Å; Y178-K227 WeakPolarHBondContact O-CB 3.33Å; Y178-K227 PolarHBondContact O-N 3.48Å; T179-K227 WeakPolarHBondContact O-CD 3.32Å; V180-K227 HydrophobicContact CG2-CG 4.36Å
228G95.6Very high96.8Very high24 Ų2458.8 Ų58.825%0.24730%0.302CS..SBendtrans154.1-168.3-175.800000110.7Q220Q220-G228 PolarHBondContact NE2-O 3.38Å
229H96.2Very high96.8Very high106 Ų10655.7 Ų55.749%0.49129%0.29SS..  trans-109.6133.7176.5-68.4-82.7000111.6N132 Q220 E233N132-H229 PolarHBondContact ND2-O 3.5Å; Q220-H229 PolarHBondContact NE2-CE1 3.05Å; Q220-H229 PolarHBondContact NE2-ND1 3.3Å; Q220-H229 PolarHBondContact NE2-NE2 2.82Å; H229-E233 WeakPolarHBondContact CA-OE1 3.49Å; H229-E233 IonicContact CE1-OE2 3.77Å; H229-E233 IonicContact CG-OE2 2.98Å; H229-E233 IonicContact ND1-OE1 3.85Å; H229-E233 IonicContact ND1-OE2 2.85Å; H229-E233 PolarHBondContact ND1-OE2 3.42Å
230S96.8Very high96.8Very high5 Ų550.3 Ų50.34%0.03526%0.261CS..  trans-81.9141.5172.2-173.20000110.8V176 F232 E233V176-S230 VanDerWaalsContact O-CB 3.29Å; V176-S230 WeakPolarHBondContact O-CB 3.22Å; V176-S230 PolarHBondContact O-OG 3.31Å; S230-F232 PolarHBondContact O-N 3.34Å; S230-F232 VanDerWaalsContact O-N 3.14Å; S230-F232 PolarHBondContact OG-N 2.86Å; S230-E233 PolarHBondContact N-OE1 3.01Å; S230-E233 VanDerWaalsContact O-CB 3.3Å; S230-E233 WeakPolarHBondContact O-CB 3.21Å; S230-E233 PolarHBondContact O-N 2.76Å
231L96.8Very high96.8Very high59 Ų5951 Ų5131%0.30927%0.267SS..G310 helixtrans-60.1-22.1170.4-75.2-179.9000112.8N132 A136 I139 E233 S234N132-L231 HydrophobicContact CB-CD1 3.82Å; N132-L231 HydrophobicContact CB-CG 3.81Å; N132-L231 VanDerWaalsContact O-CD1 3.26Å; N132-L231 WeakPolarHBondContact O-CD1 3.49Å; N132-L231 PolarHBondContact OD1-N 2.85Å; A136-L231 HydrophobicContact CB-CD1 3.93Å; I139-L231 HydrophobicContact CG1-CB 4.18Å; I139-L231 HydrophobicContact CG2-CB 4.35Å; L231-E233 PolarHBondContact O-N 3.44Å; L231-S234 WeakPolarHBondContact O-CB 3.47Å; L231-S234 PolarHBondContact O-N 2.82Å; L231-S234 PolarHBondContact O-OG 3Å
232F97.1Very high96.8Very high4 Ų446.5 Ų46.52%0.01824%0.239CC..G310 helixtrans-61.5-26172.6-78.6-85.4000112.6I139 L163 V166 V176 S230 S234 L235 I237 M239 F243I139-F232 HydrophobicContact CD1-CD1 3.45Å; I139-F232 VanDerWaalsContact CD1-CD1 3.45Å; I139-F232 HydrophobicContact CD1-CD2 3.96Å; I139-F232 HydrophobicContact CD1-CE1 3.41Å; I139-F232 VanDerWaalsContact CD1-CE1 3.41Å; I139-F232 HydrophobicContact CD1-CE2 3.93Å; I139-F232 HydrophobicContact CD1-CG 3.73Å; I139-F232 HydrophobicContact CD1-CZ 3.66Å; L163-F232 HydrophobicContact CD2-CD1 4.16Å; L163-F232 HydrophobicContact CD2-CE1 3.97Å; V166-F232 HydrophobicContact CG1-CE1 4.47Å; V166-F232 HydrophobicContact CG1-CZ 4.19Å; V166-F232 HydrophobicContact CG2-CD1 4.1Å; V166-F232 HydrophobicContact CG2-CE1 3.54Å; V166-F232 HydrophobicContact CG2-CZ 4.08Å; V176-F232 HydrophobicContact CG1-CD2 3.74Å; V176-F232 HydrophobicContact CG1-CE2 3.5Å; V176-F232 VanDerWaalsContact CG1-CE2 3.5Å; V176-F232 HydrophobicContact CG1-CZ 4.46Å; S230-F232 PolarHBondContact O-N 3.34Å; S230-F232 VanDerWaalsContact O-N 3.14Å; S230-F232 PolarHBondContact OG-N 2.86Å; F232-S234 PolarHBondContact O-N 2.85Å; F232-L235 HydrophobicContact CD1-CD1 4.15Å; F232-L235 WeakPolarHBondContact O-CB 3.27Å; F232-L235 PolarHBondContact O-N 2.86Å; F232-I237 HydrophobicContact CB-CD1 4.21Å; F232-I237 HydrophobicContact CD1-CD1 4.02Å; F232-M239 HydrophobicContact CB-CE 4.07Å; F232-M239 HydrophobicContact CB-SD 3.98Å; F232-F243 HydrophobicContact CB-CE2 4.39Å; F232-F243 HydrophobicContact CB-CZ 4.1Å; F232-F243 HydrophobicContact CD1-CZ 4.13Å; F232-F243 HydrophobicContact CD2-CZ 4.1Å; F232-F243 AromaticContact CG-CZ 3.85Å; F232-F243 HydrophobicContact CG-CZ 3.85Å
233E97.2Very high96.9Very high25 Ų2545.1 Ų45.112%0.11723%0.233CC..G310 helixtrans-65.3-17173.9-65.1171.1-121.500111.9F217 R218 H229 S230 L231 L235 M239F217-E233 HydrophobicContact CE1-CG 4.38Å; R218-E233 PolarHBondContact NH1-O 3.22Å; H229-E233 WeakPolarHBondContact CA-OE1 3.49Å; H229-E233 IonicContact CE1-OE2 3.77Å; H229-E233 IonicContact CG-OE2 2.98Å; H229-E233 IonicContact ND1-OE1 3.85Å; H229-E233 IonicContact ND1-OE2 2.85Å; H229-E233 PolarHBondContact ND1-OE2 3.42Å; S230-E233 PolarHBondContact N-OE1 3.01Å; S230-E233 VanDerWaalsContact O-CB 3.3Å; S230-E233 WeakPolarHBondContact O-CB 3.21Å; S230-E233 PolarHBondContact O-N 2.76Å; L231-E233 PolarHBondContact O-N 3.44Å; E233-L235 PolarHBondContact O-N 3.48Å; E233-M239 HydrophobicContact CG-CE 3.82Å; E233-M239 HydrophobicContact CG-CG 4.06Å; E233-M239 HydrophobicContact CG-SD 3.98Å
234S96.2Very high96.9Very high61 Ų6136.3 Ų36.343%0.42720%0.198SC..G310 helixtrans-76.9-10.3174.1730000113.8L231 F232L231-S234 WeakPolarHBondContact O-CB 3.47Å; L231-S234 PolarHBondContact O-N 2.82Å; L231-S234 PolarHBondContact O-OG 3Å; F232-S234 PolarHBondContact O-N 2.85Å
235L96.4Very high97Very high5 Ų533.6 Ų33.63%0.02618%0.184CC..SBendtrans-93.3151.4178.9-61177.1000111.2I139 I142 K143 L163 R218 F232 E233 I237I139-L235 HydrophobicContact CD1-CD1 3.71Å; I139-L235 HydrophobicContact CG2-CD1 4.31Å; I139-L235 HydrophobicContact CG2-CD2 4.11Å; I139-L235 HydrophobicContact CG2-CG 4.09Å; I142-L235 HydrophobicContact CB-CD1 4.34Å; I142-L235 HydrophobicContact CB-CD2 4.32Å; I142-L235 HydrophobicContact CD1-CD1 4.42Å; I142-L235 HydrophobicContact CG2-CD1 3.84Å; I142-L235 HydrophobicContact CG2-CD2 3.95Å; K143-L235 HydrophobicContact CB-CD2 3.85Å; L163-L235 HydrophobicContact CD2-CD1 4.03Å; R218-L235 PolarHBondContact NH2-O 3.29Å; F232-L235 HydrophobicContact CD1-CD1 4.15Å; F232-L235 WeakPolarHBondContact O-CB 3.27Å; F232-L235 PolarHBondContact O-N 2.86Å; E233-L235 PolarHBondContact O-N 3.48Å; L235-I237 HydrophobicContact CB-CD1 4.26Å; L235-I237 HydrophobicContact CB-CG1 4.08Å; L235-I237 HydrophobicContact CB-CG2 4.11Å; L235-I237 HydrophobicContact CD1-CD1 4.44Å; L235-I237 PolarHBondContact O-N 3.13Å
236P94.7Very high97Very high104 Ų10433.7 Ų33.768%0.67518%0.184SC*.SBendtrans-78.161.1175.334.9-36.7000111T146T146-P236 HydrophobicContact CG2-CG 3.89Å
237I96.3Very high97Very high20 Ų2032.8 Ų32.810%0.10318%0.18CC..SBendtrans-124156.8-179.465.8175.7000110.7L163 R218 F232 L235 M239 T242 F243L163-I237 HydrophobicContact CB-CG2 4.49Å; L163-I237 HydrophobicContact CD2-CD1 4.15Å; L163-I237 HydrophobicContact CD2-CG2 4.42Å; R218-I237 PolarHBondContact NH2-O 2.95Å; F232-I237 HydrophobicContact CB-CD1 4.21Å; F232-I237 HydrophobicContact CD1-CD1 4.02Å; L235-I237 HydrophobicContact CB-CD1 4.26Å; L235-I237 HydrophobicContact CB-CG1 4.08Å; L235-I237 HydrophobicContact CB-CG2 4.11Å; L235-I237 HydrophobicContact CD1-CD1 4.44Å; L235-I237 PolarHBondContact O-N 3.13Å; I237-M239 HydrophobicContact CD1-SD 4.17Å; I237-M239 HydrophobicContact CG1-SD 4.22Å; I237-T242 HydrophobicContact CB-CG2 4.31Å; I237-T242 HydrophobicContact CD1-CG2 4.06Å; I237-F243 HydrophobicContact CD1-CE2 4.5Å
238D97.6Very high97.1Very high52 Ų5226.8 Ų26.828%0.27816%0.155SC..  trans-81.8114.1171.3-176.1-48.5000109.6D214 I240 L241 T242D214-D238 HydrophobicContact CB-CB 4.48Å; D238-I240 PolarHBondContact O-N 2.64Å; D238-I240 VanDerWaalsContact O-N 3.16Å; D238-I240 VanDerWaalsContact OD1-CA 3.28Å; D238-I240 WeakPolarHBondContact OD1-CA 3.38Å; D238-I240 VanDerWaalsContact OD1-CB 3.26Å; D238-I240 WeakPolarHBondContact OD1-CB 3.46Å; D238-I240 PolarHBondContact OD1-N 3.48Å; D238-L241 HydrophobicContact CB-CB 4.18Å; D238-L241 PolarHBondContact OD1-N 2.91Å; D238-T242 PolarHBondContact N-OG1 3.32Å; D238-T242 WeakPolarHBondContact O-CB 3.46Å; D238-T242 PolarHBondContact O-N 3.34Å; D238-T242 PolarHBondContact O-OG1 3.06Å
239M97.9Very high97.1Very high0 Ų027.7 Ų27.70%015%0.152CC..THydrogen-bonded Turntrans-69-8-177-70.5-60.7-61.500114.3R177 D214 F217 F232 E233 I237 F243R177-M239 PolarHBondContact NE-O 3.47Å; R177-M239 PolarHBondContact NH2-O 2.9Å; D214-M239 WeakPolarHBondContact OD1-CB 3.1Å; D214-M239 WeakPolarHBondContact OD1-CG 3.49Å; D214-M239 PolarHBondContact OD1-N 3.08Å; F217-M239 HydrophobicContact CB-CB 4.44Å; F217-M239 HydrophobicContact CD1-CB 3.52Å; F217-M239 HydrophobicContact CD1-CE 4.45Å; F217-M239 HydrophobicContact CD1-CG 3.97Å; F217-M239 HydrophobicContact CE1-CB 3.95Å; F217-M239 HydrophobicContact CE1-CE 3.76Å; F217-M239 HydrophobicContact CE1-CG 4.23Å; F217-M239 HydrophobicContact CG-CB 3.97Å; F217-M239 HydrophobicContact CZ-CE 4.29Å; F232-M239 HydrophobicContact CB-CE 4.07Å; F232-M239 HydrophobicContact CB-SD 3.98Å; E233-M239 HydrophobicContact CG-CE 3.82Å; E233-M239 HydrophobicContact CG-CG 4.06Å; E233-M239 HydrophobicContact CG-SD 3.98Å; I237-M239 HydrophobicContact CD1-SD 4.17Å; I237-M239 HydrophobicContact CG1-SD 4.22Å; M239-F243 HydrophobicContact CE-CE2 3.78Å; M239-F243 HydrophobicContact CE-CZ 4.32Å; M239-F243 HydrophobicContact SD-CE2 4Å
240I97.7Very high97.2Very high9 Ų922.8 Ų22.85%0.04613%0.13CC..THydrogen-bonded Turntrans-95.4-65.4171.1-52.8-53.3000108.7R177 R190 R212 F217 D238 T242 F243R177-I240 VanDerWaalsContact NH2-CD1 3.31Å; R190-I240 VanDerWaalsContact NH1-C 3.31Å; R190-I240 PolarHBondContact NH1-O 3.29Å; R212-I240 HydrophobicContact CB-CD1 3.62Å; R212-I240 HydrophobicContact CB-CG1 4.09Å; F217-I240 HydrophobicContact CB-CD1 4Å; F217-I240 HydrophobicContact CD2-CD1 3.82Å; F217-I240 HydrophobicContact CG-CD1 4.17Å; D238-I240 PolarHBondContact O-N 2.64Å; D238-I240 VanDerWaalsContact O-N 3.16Å; D238-I240 VanDerWaalsContact OD1-CA 3.28Å; D238-I240 WeakPolarHBondContact OD1-CA 3.38Å; D238-I240 VanDerWaalsContact OD1-CB 3.26Å; D238-I240 WeakPolarHBondContact OD1-CB 3.46Å; D238-I240 PolarHBondContact OD1-N 3.48Å; I240-T242 PolarHBondContact O-N 3.13Å; I240-F243 PolarHBondContact O-N 3.23Å
241L96.7Very high97.3Very high68 Ų6822.6 Ų22.636%0.35613%0.128SC..THydrogen-bonded Turntrans-69.1-32.7-170.7-67.1177.3000113.3D238 F243 H399D238-L241 HydrophobicContact CB-CB 4.18Å; D238-L241 PolarHBondContact OD1-N 2.91Å; L241-F243 PolarHBondContact O-N 3.45Å; L241-H399 PolarHBondContact O-CE1 3.12Å; L241-H399 PolarHBondContact O-NE2 3.33Å
242T98Very high97.3Very high11 Ų1119.8 Ų19.87%0.06711%0.113CC..THydrogen-bonded Turntrans-69.5-14178.9-45.60000112L163 A165 V166 I237 D238 I240 P244L163-T242 HydrophobicContact CD2-CG2 4.47Å; L163-T242 HydrophobicContact CG-CG2 4.27Å; A165-T242 CarbonylContact C-O 3.56Å; A165-T242 VanDerWaalsContact CA-O 3.28Å; A165-T242 WeakPolarHBondContact CA-O 3.32Å; V166-T242 HydrophobicContact CG2-CG2 4.35Å; V166-T242 PolarHBondContact N-O 3.26Å; I237-T242 HydrophobicContact CB-CG2 4.31Å; I237-T242 HydrophobicContact CD1-CG2 4.06Å; D238-T242 PolarHBondContact N-OG1 3.32Å; D238-T242 WeakPolarHBondContact O-CB 3.46Å; D238-T242 PolarHBondContact O-N 3.34Å; D238-T242 PolarHBondContact O-OG1 3.06Å; I240-T242 PolarHBondContact O-N 3.13Å; T242-P244 VanDerWaalsContact C-CD 3.45Å; T242-P244 WeakPolarHBondContact O-CD 3.44Å
243F98.1Very high97.3Very high0 Ų022 Ų220%013%0.125CC..SBendtrans-110.777.9176.1-72.3-94.6000110.1V166 R173 V176 R177 R190 F232 I237 M239 I240 L241V166-F243 HydrophobicContact CB-CD1 3.77Å; V166-F243 HydrophobicContact CB-CE1 3.58Å; V166-F243 HydrophobicContact CB-CG 4.38Å; V166-F243 HydrophobicContact CB-CZ 4.01Å; V166-F243 HydrophobicContact CG1-CD1 4Å; V166-F243 HydrophobicContact CG1-CE1 3.5Å; V166-F243 HydrophobicContact CG1-CZ 4.17Å; V166-F243 HydrophobicContact CG2-CE1 4.14Å; V166-F243 HydrophobicContact CG2-CE2 4.5Å; V166-F243 HydrophobicContact CG2-CZ 4.06Å; R173-F243 HydrophobicContact CG-CD1 4.35Å; V176-F243 HydrophobicContact CG1-CE1 3.79Å; V176-F243 HydrophobicContact CG1-CZ 4.23Å; R177-F243 HydrophobicContact CG-CD1 3.69Å; R177-F243 HydrophobicContact CG-CD2 4.24Å; R177-F243 HydrophobicContact CG-CE1 3.64Å; R177-F243 HydrophobicContact CG-CE2 4.22Å; R177-F243 HydrophobicContact CG-CG 3.99Å; R177-F243 HydrophobicContact CG-CZ 3.93Å; R190-F243 PolarHBondContact NH2-O 3.12Å; F232-F243 HydrophobicContact CB-CE2 4.39Å; F232-F243 HydrophobicContact CB-CZ 4.1Å; F232-F243 HydrophobicContact CD1-CZ 4.13Å; F232-F243 HydrophobicContact CD2-CZ 4.1Å; F232-F243 AromaticContact CG-CZ 3.85Å; F232-F243 HydrophobicContact CG-CZ 3.85Å; I237-F243 HydrophobicContact CD1-CE2 4.5Å; M239-F243 HydrophobicContact CE-CE2 3.78Å; M239-F243 HydrophobicContact CE-CZ 4.32Å; M239-F243 HydrophobicContact SD-CE2 4Å; I240-F243 PolarHBondContact O-N 3.23Å; L241-F243 PolarHBondContact O-N 3.45Å
244P98.1Very high97.4Very high1 Ų121.5 Ų21.51%0.00613%0.126CC..  trans-64.7156.7-178.928.2-35.6000112.6A165 I167 R173 R190 T242 D246 D395 Y405A165-P244 HydrophobicContact CB-CG 4.05Å; I167-P244 HydrophobicContact CD1-CG 3.39Å; R173-P244 PolarHBondContact NH1-O 2.88Å; R190-P244 VanDerWaalsContact NH2-CA 3.28Å; T242-P244 VanDerWaalsContact C-CD 3.45Å; T242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-D246 PolarHBondContact O-N 2.95Å; P244-D395 HydrophobicContact CB-CB 4.31Å; P244-Y405 HydrophobicContact CB-CD2 3.61Å; P244-Y405 HydrophobicContact CB-CE2 3.97Å; P244-Y405 HydrophobicContact CB-CG 4.3Å; P244-Y405 HydrophobicContact CG-CD2 4.03Å; P244-Y405 HydrophobicContact CG-CG 4.47Å
245L97.9Very high97.5Very high0 Ų018.6 Ų18.60%011%0.106CC..  trans-77.4103.4170.5-62.7173.1000109.3R190 P247 M250 H391 L392 D395 Y405R190-L245 HydrophobicContact CG-CD1 4.13Å; L245-P247 WeakPolarHBondContact O-CD 3.41Å; L245-P247 VanDerWaalsContact O-N 3.12Å; L245-M250 HydrophobicContact CB-CE 3.98Å; L245-M250 HydrophobicContact CD1-CE 4.26Å; L245-H391 HydrophobicContact CD1-CB 3.99Å; L245-L392 HydrophobicContact CB-CD2 4.39Å; L245-D395 WeakPolarHBondContact CB-OD2 3.36Å; L245-D395 WeakPolarHBondContact CG-OD2 3.47Å; L245-D395 PolarHBondContact N-OD2 3.27Å; L245-Y405 WeakPolarHBondContact O-CE2 3.17Å
246D97.5Very high97.6Very high2 Ų218.4 Ų18.41%0.01111%0.105CC..  trans-55.1115.4-179.4168.442.4000112.6I167 P244 M248 H249 M250 S406 A407I167-D246 HydrophobicContact CG2-CB 4.46Å; P244-D246 PolarHBondContact O-N 2.95Å; D246-M248 VanDerWaalsContact C-N 3.25Å; D246-M248 PolarHBondContact O-N 3.15Å; D246-M248 WeakPolarHBondContact OD1-CB 3.4Å; D246-M248 PolarHBondContact OD1-N 3.07Å; D246-H249 WeakPolarHBondContact OD2-CB 3.35Å; D246-H249 IonicContact OD2-CE1 2.66Å; D246-H249 IonicContact OD2-CG 3.48Å; D246-H249 VanDerWaalsContact OD2-CG 3.29Å; D246-H249 PolarHBondContact OD2-N 3.37Å; D246-H249 IonicContact OD2-ND1 3.35Å; D246-H249 PolarHBondContact OD2-ND1 2.96Å; D246-M250 VanDerWaalsContact O-CB 3.24Å; D246-M250 WeakPolarHBondContact O-CB 3.24Å; D246-M250 PolarHBondContact O-N 3.47Å; D246-S406 WeakPolarHBondContact OD1-CA 3.44Å; D246-A407 PolarHBondContact OD1-N 3.2Å; D246-A407 WeakPolarHBondContact OD2-CB 3.34Å
247P98Very high97.7Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-66.1-26.7-179.2-25.439000113.1L245 V251 Y252 L402 Y405L245-P247 WeakPolarHBondContact O-CD 3.41Å; L245-P247 VanDerWaalsContact O-N 3.12Å; P247-V251 HydrophobicContact CB-CG2 4.24Å; P247-V251 WeakPolarHBondContact O-CA 3.29Å; P247-V251 VanDerWaalsContact O-CB 3.29Å; P247-V251 WeakPolarHBondContact O-CB 3.49Å; P247-V251 PolarHBondContact O-N 2.95Å; P247-Y252 PolarHBondContact O-N 2.88Å; P247-L402 HydrophobicContact CB-CB 4.26Å; P247-L402 HydrophobicContact CB-CD2 4.36Å; P247-L402 HydrophobicContact CG-CB 4.12Å; P247-L402 HydrophobicContact CG-CD2 3.92Å; P247-L402 WeakPolarHBondContact CG-O 3.43Å; P247-Y405 VanDerWaalsContact CD-CE2 3.5Å; P247-Y405 HydrophobicContact CG-CD2 4.1Å; P247-Y405 HydrophobicContact CG-CE2 3.49Å; P247-Y405 VanDerWaalsContact CG-CE2 3.49Å
248M97.8Very high97.7Very high7 Ų716.3 Ų16.33%0.0349%0.085CC..Iπ-helixtrans-63.2-52.2-179.6-175.1-165.676.100111.6D246 L253 A312 A407 F408 E411D246-M248 VanDerWaalsContact C-N 3.25Å; D246-M248 PolarHBondContact O-N 3.15Å; D246-M248 WeakPolarHBondContact OD1-CB 3.4Å; D246-M248 PolarHBondContact OD1-N 3.07Å; M248-L253 PolarHBondContact O-N 2.88Å; M248-A312 HydrophobicContact CG-CB 3.51Å; M248-A312 HydrophobicContact SD-CB 4.25Å; M248-A407 HydrophobicContact CB-CB 4.41Å; M248-A407 HydrophobicContact CE-CB 3.68Å; M248-A407 HydrophobicContact SD-CB 4.21Å; M248-F408 HydrophobicContact CB-CD2 4.15Å; M248-F408 HydrophobicContact CB-CE2 4.07Å; M248-F408 HydrophobicContact CB-CZ 4.41Å; M248-F408 HydrophobicContact CG-CD1 3.98Å; M248-F408 HydrophobicContact CG-CD2 4.06Å; M248-F408 HydrophobicContact CG-CE1 3.79Å; M248-F408 HydrophobicContact CG-CE2 3.87Å; M248-F408 HydrophobicContact CG-CG 4.11Å; M248-F408 HydrophobicContact CG-CZ 3.73Å; M248-F408 HydrophobicContact SD-CB 4.4Å; M248-F408 HydrophobicContact SD-CD1 3.6Å; M248-F408 HydrophobicContact SD-CD2 4.35Å; M248-F408 HydrophobicContact SD-CE1 3.94Å; M248-F408 HydrophobicContact SD-CG 3.83Å; M248-F408 HydrophobicContact SD-CZ 4.44Å; M248-E411 HydrophobicContact CE-CG 3.48Å; M248-E411 VanDerWaalsContact CE-CG 3.48Å; M248-E411 HydrophobicContact SD-CG 3.9Å
249H97.3Very high97.8Very high42 Ų4213.9 Ų13.919%0.1947%0.072CC..Iπ-helixtrans-75.5-43.2178-71108.6000112.7D89 D169 D246 G254 E411D89-H249 IonicContact OD2-CE1 3.6Å; D169-H249 HydrophobicContact CB-CB 4.4Å; D246-H249 WeakPolarHBondContact OD2-CB 3.35Å; D246-H249 IonicContact OD2-CE1 2.66Å; D246-H249 IonicContact OD2-CG 3.48Å; D246-H249 VanDerWaalsContact OD2-CG 3.29Å; D246-H249 PolarHBondContact OD2-N 3.37Å; D246-H249 IonicContact OD2-ND1 3.35Å; D246-H249 PolarHBondContact OD2-ND1 2.96Å; H249-G254 WeakPolarHBondContact O-CA 3.38Å; H249-G254 PolarHBondContact O-N 2.81Å; H249-E411 IonicContact CE1-OE1 3.06Å
250M97.4Very high97.8Very high4 Ų413.9 Ų13.92%0.027%0.072CC..Iπ-helixtrans-79.5-51-170.7-174.3-91.5-74.300112.4L245 D246 G254 V255 N385 L389 L392L245-M250 HydrophobicContact CB-CE 3.98Å; L245-M250 HydrophobicContact CD1-CE 4.26Å; D246-M250 VanDerWaalsContact O-CB 3.24Å; D246-M250 WeakPolarHBondContact O-CB 3.24Å; D246-M250 PolarHBondContact O-N 3.47Å; M250-G254 CarbonylContact O-C 3.51Å; M250-G254 VanDerWaalsContact O-CA 3.23Å; M250-G254 WeakPolarHBondContact O-CA 3.14Å; M250-G254 PolarHBondContact O-N 3.43Å; M250-V255 PolarHBondContact O-N 2.93Å; M250-N385 HydrophobicContact CG-CB 4.03Å; M250-N385 VanDerWaalsContact SD-O 3.34Å; M250-L389 HydrophobicContact SD-CD2 3.89Å; M250-L389 HydrophobicContact SD-CG 4.33Å; M250-L392 HydrophobicContact CE-CD1 3.74Å; M250-L392 HydrophobicContact CE-CD2 3.43Å; M250-L392 VanDerWaalsContact CE-CD2 3.43Å; M250-L392 HydrophobicContact CE-CG 3.55Å
251V98.5Very high97.8Very high0 Ų016 Ų160%09%0.085CC..Iπ-helixtrans-81-60.5-176.4-177.70000110.2P247 V255 T256 L319 M346 L389 L392P247-V251 HydrophobicContact CB-CG2 4.24Å; P247-V251 WeakPolarHBondContact O-CA 3.29Å; P247-V251 VanDerWaalsContact O-CB 3.29Å; P247-V251 WeakPolarHBondContact O-CB 3.49Å; P247-V251 PolarHBondContact O-N 2.95Å; V251-V255 PolarHBondContact O-N 2.85Å; V251-V255 VanDerWaalsContact O-N 3.08Å; V251-T256 PolarHBondContact O-N 3.32Å; V251-T256 PolarHBondContact O-OG1 3.46Å; V251-T256 VanDerWaalsContact O-OG1 3.12Å; V251-L319 HydrophobicContact CG1-CD2 3.65Å; V251-M346 HydrophobicContact CB-SD 4.42Å; V251-M346 HydrophobicContact CG1-CG 3.78Å; V251-M346 HydrophobicContact CG1-SD 3.66Å; V251-M346 HydrophobicContact CG2-SD 3.85Å; V251-L389 HydrophobicContact CG2-CD2 4.07Å; V251-L392 HydrophobicContact CG2-CD1 3.7Å
252Y97.9Very high97.8Very high0 Ų013.2 Ų13.20%07%0.071CC..Iπ-helixtrans-75.3-54.1-168.7-51.7-41.5000112.1P247 T256 C315 R316 L319 F408P247-Y252 PolarHBondContact O-N 2.88Å; Y252-T256 WeakPolarHBondContact O-CB 3.35Å; Y252-C315 WeakPolarHBondContact O-CB 3.46Å; Y252-C315 PolarHBondContact O-SG 3.19Å; Y252-R316 HydrophobicContact CD1-CB 3.93Å; Y252-R316 HydrophobicContact CD1-CG 4.29Å; Y252-R316 HydrophobicContact CD2-CB 3.94Å; Y252-R316 HydrophobicContact CD2-CG 4.32Å; Y252-R316 HydrophobicContact CE1-CB 4.01Å; Y252-R316 HydrophobicContact CE1-CG 3.84Å; Y252-R316 HydrophobicContact CE2-CB 4.07Å; Y252-R316 HydrophobicContact CE2-CG 3.92Å; Y252-R316 HydrophobicContact CG-CB 3.92Å; Y252-L319 HydrophobicContact CD1-CD2 4.13Å; Y252-L319 HydrophobicContact CE1-CD2 4.17Å; Y252-F408 AromaticContact CD2-CE2 3.78Å; Y252-F408 HydrophobicContact CD2-CE2 3.78Å; Y252-F408 AromaticContact CD2-CZ 3.88Å; Y252-F408 HydrophobicContact CD2-CZ 3.88Å; Y252-F408 AromaticContact CE2-CE2 3.72Å; Y252-F408 HydrophobicContact CE2-CE2 3.72Å; Y252-F408 HydrophobicContact CE2-CZ 4.24Å
253L97.5Very high97.8Very high52 Ų5212.7 Ų12.727%0.2727%0.067SC..Iπ-helixtrans-75.6-34.8177.3-70.4176.4000112.7M248 K257 A312M248-L253 PolarHBondContact O-N 2.88Å; L253-K257 HydrophobicContact CD2-CD 4.29Å; L253-K257 VanDerWaalsContact O-CB 3.32Å; L253-K257 WeakPolarHBondContact O-CB 3.43Å; L253-K257 WeakPolarHBondContact O-CD 3.39Å; L253-K257 WeakPolarHBondContact O-CG 3.36Å; L253-A312 HydrophobicContact CD1-CB 4.08Å; L253-A312 HydrophobicContact CD2-CB 4Å; L253-A312 HydrophobicContact CG-CB 3.74Å
254G97.2Very high97.8Very high13 Ų1314.1 Ų14.113%0.1348%0.075CC..Iπ-helixtrans-80.3-74.3-176.200000112.9H249 M250 K258 N385H249-G254 WeakPolarHBondContact O-CA 3.38Å; H249-G254 PolarHBondContact O-N 2.81Å; M250-G254 CarbonylContact O-C 3.51Å; M250-G254 VanDerWaalsContact O-CA 3.23Å; M250-G254 WeakPolarHBondContact O-CA 3.14Å; M250-G254 PolarHBondContact O-N 3.43Å; G254-K258 WeakPolarHBondContact O-CB 2.97Å; G254-K258 PolarHBondContact O-N 3.12Å; G254-N385 WeakPolarHBondContact CA-ND2 3.33Å
255V98.3Very high97.7Very high0 Ų018 Ų180%09%0.093CC..Iπ-helixtrans-72.5-49.1-172178.70000112.1M250 V251 K257 K258 L259 L342 N385 V386 L389M250-V255 PolarHBondContact O-N 2.93Å; V251-V255 PolarHBondContact O-N 2.85Å; V251-V255 VanDerWaalsContact O-N 3.08Å; V255-K257 PolarHBondContact O-N 3.36Å; V255-K258 WeakPolarHBondContact O-CB 3.43Å; V255-K258 PolarHBondContact O-N 2.98Å; V255-K258 VanDerWaalsContact O-N 3.12Å; V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 HydrophobicContact CG1-CG 4.37Å; V255-L259 PolarHBondContact O-N 3.28Å; V255-L342 HydrophobicContact CG1-CD2 3.59Å; V255-N385 HydrophobicContact CG2-CB 4.12Å; V255-N385 WeakPolarHBondContact CG2-O 3.32Å; V255-V386 HydrophobicContact CG2-CG2 4.27Å; V255-L389 HydrophobicContact CG1-CD1 4.09Å; V255-L389 HydrophobicContact CG2-CD1 3.98Å; V255-L389 HydrophobicContact CG2-CD2 4.13Å; V255-L389 HydrophobicContact CG2-CG 4.07Å
256T98.4Very high97.6Very high1 Ų119.2 Ų19.21%0.00610%0.099CC..Iπ-helixtrans-61.5-47.6-175.2-48.10000111.7V251 Y252 K258 L259 V260 C315 F318 L319V251-T256 PolarHBondContact O-N 3.32Å; V251-T256 PolarHBondContact O-OG1 3.46Å; V251-T256 VanDerWaalsContact O-OG1 3.12Å; Y252-T256 WeakPolarHBondContact O-CB 3.35Å; T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 3.42Å; T256-L259 PolarHBondContact O-N 2.95Å; T256-V260 WeakPolarHBondContact O-CG2 3.32Å; T256-V260 PolarHBondContact O-N 2.91Å; T256-V260 VanDerWaalsContact O-N 3.17Å; T256-C315 HydrophobicContact CG2-CB 4.24Å; T256-F318 HydrophobicContact CG2-CD1 4Å; T256-L319 HydrophobicContact CG2-CB 4.09Å
257K97.4Very high97.6Very high41 Ų4119.2 Ų19.218%0.17810%0.099CC..Hα-helixtrans-61.2-39.3175.4-71.1-167.3168.3-169.10112.3L253 V255 V260 T261 V307 W310 C315L253-K257 HydrophobicContact CD2-CD 4.29Å; L253-K257 VanDerWaalsContact O-CB 3.32Å; L253-K257 WeakPolarHBondContact O-CB 3.43Å; L253-K257 WeakPolarHBondContact O-CD 3.39Å; L253-K257 WeakPolarHBondContact O-CG 3.36Å; V255-K257 PolarHBondContact O-N 3.36Å; K257-V260 PolarHBondContact O-N 3.2Å; K257-T261 WeakPolarHBondContact O-CB 3.37Å; K257-T261 PolarHBondContact O-N 2.91Å; K257-T261 PolarHBondContact O-OG1 3.4Å; K257-V307 HydrophobicContact CB-CG2 4.43Å; K257-V307 HydrophobicContact CG-CG2 4.48Å; K257-W310 WeakPolarHBondContact CE-O 3.28Å; K257-W310 PolarHBondContact NZ-O 3.05Å; K257-C315 WeakPolarHBondContact CG-SG 3.39Å
258K97.5Very high97.5Very high40 Ų4026 Ų2617%0.17413%0.131CC..Hα-helixtrans-62.6-46.4-180-176.7171.9178.867.10111G254 V255 T256 V260 T261 L262 Y373 N381 V383 V386G254-K258 WeakPolarHBondContact O-CB 2.97Å; G254-K258 PolarHBondContact O-N 3.12Å; V255-K258 WeakPolarHBondContact O-CB 3.43Å; V255-K258 PolarHBondContact O-N 2.98Å; V255-K258 VanDerWaalsContact O-N 3.12Å; T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 3.42Å; K258-V260 PolarHBondContact O-N 2.74Å; K258-T261 PolarHBondContact O-N 3.38Å; K258-L262 HydrophobicContact CG-CD1 3.92Å; K258-L262 HydrophobicContact CG-CG 4.44Å; K258-L262 WeakPolarHBondContact O-CB 3.4Å; K258-L262 VanDerWaalsContact O-CG 3.25Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.12Å; K258-Y373 WeakPolarHBondContact CD-OH 3.43Å; K258-Y373 WeakPolarHBondContact CE-OH 3.41Å; K258-N381 WeakPolarHBondContact CE-O 3.46Å; K258-N381 PolarHBondContact NZ-OD1 3.42Å; K258-V383 HydrophobicContact CD-CG2 3.82Å; K258-V386 HydrophobicContact CD-CG2 4.13Å
259L98.2Very high97.4Very high1 Ų134.2 Ų34.21%0.00516%0.161CC..Hα-helixtrans-57-50.7175.9-74.4174.2000111.7V255 T256 T261 L262 W263 F339 L342 F369 Y373 Y377V255-L259 HydrophobicContact CG1-CD1 4.1Å; V255-L259 HydrophobicContact CG1-CG 4.37Å; V255-L259 PolarHBondContact O-N 3.28Å; T256-L259 PolarHBondContact O-N 2.95Å; L259-T261 VanDerWaalsContact C-N 3.32Å; L259-T261 PolarHBondContact O-N 3.49Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.27Å; L259-W263 HydrophobicContact CB-CZ2 4.06Å; L259-W263 PolarHBondContact O-N 2.97Å; L259-F339 HydrophobicContact CD1-CD2 4.22Å; L259-L342 HydrophobicContact CD1-CD2 3.51Å; L259-F369 HydrophobicContact CD1-CZ 4.48Å; L259-Y373 HydrophobicContact CD2-CD2 3.97Å; L259-Y373 HydrophobicContact CD2-CE2 3.57Å; L259-Y373 HydrophobicContact CG-CE2 4.4Å; L259-Y377 HydrophobicContact CD2-CD2 4.16Å; L259-Y377 HydrophobicContact CD2-CE1 4.36Å; L259-Y377 HydrophobicContact CD2-CE2 3.42Å; L259-Y377 VanDerWaalsContact CD2-CE2 3.42Å
260V98Very high97.3Very high0 Ų041.8 Ų41.80%019%0.188CC..Hα-helixtrans-61.4-41.5179.2173.80000111.7T256 K257 K258 W263 I264 L304 V307 W310 F318T256-V260 WeakPolarHBondContact O-CG2 3.32Å; T256-V260 PolarHBondContact O-N 2.91Å; T256-V260 VanDerWaalsContact O-N 3.17Å; K257-V260 PolarHBondContact O-N 3.2Å; K258-V260 PolarHBondContact O-N 2.74Å; V260-W263 HydrophobicContact CB-CE3 4.36Å; V260-W263 HydrophobicContact CG2-CE3 4.03Å; V260-W263 HydrophobicContact CG2-CZ3 3.79Å; V260-W263 PolarHBondContact O-N 3.29Å; V260-I264 HydrophobicContact CG1-CD1 4.16Å; V260-I264 WeakPolarHBondContact O-CG1 3.44Å; V260-I264 PolarHBondContact O-N 3.28Å; V260-I264 VanDerWaalsContact O-N 3.09Å; V260-L304 HydrophobicContact CG1-CB 4.2Å; V260-L304 HydrophobicContact CG1-CD1 4.48Å; V260-L304 HydrophobicContact CG1-CD2 3.73Å; V260-L304 HydrophobicContact CG1-CG 4.34Å; V260-L304 HydrophobicContact CG2-CD2 4.47Å; V260-V307 HydrophobicContact CB-CG2 3.78Å; V260-V307 HydrophobicContact CG1-CB 3.79Å; V260-V307 HydrophobicContact CG1-CG1 4.28Å; V260-V307 HydrophobicContact CG1-CG2 3.52Å; V260-W310 HydrophobicContact CG2-CH2 4.27Å; V260-W310 HydrophobicContact CG2-CZ3 4.1Å; V260-F318 HydrophobicContact CG2-CD1 4.4Å; V260-F318 HydrophobicContact CG2-CE1 3.87Å; V260-F318 HydrophobicContact CG2-CZ 4.35Å
261T97.7Very high97.2Very high53 Ų5345.8 Ų45.833%0.32521%0.209SC..Hα-helixtrans-62.3-44.1177.1-55.40000111.1K257 K258 L259 W263 I264 E265K257-T261 WeakPolarHBondContact O-CB 3.37Å; K257-T261 PolarHBondContact O-N 2.91Å; K257-T261 PolarHBondContact O-OG1 3.4Å; K258-T261 PolarHBondContact O-N 3.38Å; L259-T261 VanDerWaalsContact C-N 3.32Å; L259-T261 PolarHBondContact O-N 3.49Å; T261-W263 VanDerWaalsContact C-N 3.33Å; T261-W263 PolarHBondContact O-N 3.43Å; T261-I264 PolarHBondContact O-N 3.04Å; T261-E265 WeakPolarHBondContact O-CG 3.25Å; T261-E265 PolarHBondContact O-N 3.17Å
262L97.5Very high97Very high10 Ų1050 Ų505%0.05223%0.227CC..Hα-helixtrans-62-39.6176.4-71.8165.2000111.8K258 L259 I264 E265 L266 Y377 N381K258-L262 HydrophobicContact CG-CD1 3.92Å; K258-L262 HydrophobicContact CG-CG 4.44Å; K258-L262 WeakPolarHBondContact O-CB 3.4Å; K258-L262 VanDerWaalsContact O-CG 3.25Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 3.12Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.27Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 2.64Å; L262-E265 PolarHBondContact O-N 2.99Å; L262-L266 WeakPolarHBondContact O-CB 3.24Å; L262-L266 VanDerWaalsContact O-CG 3.23Å; L262-L266 WeakPolarHBondContact O-CG 3.23Å; L262-L266 PolarHBondContact O-N 2.97Å; L262-Y377 HydrophobicContact CB-CD1 3.98Å; L262-Y377 HydrophobicContact CB-CE1 4.33Å; L262-Y377 HydrophobicContact CD1-CD1 3.89Å; L262-Y377 HydrophobicContact CD1-CG 3.89Å; L262-Y377 HydrophobicContact CG-CD1 4.47Å; L262-N381 HydrophobicContact CD1-CB 4.43Å
263W98Very high96.9Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-62.5-41.4175.1-59.8-21.2000112.3L259 V260 T261 L266 G267 M274 F318 L327 L331 F339 Y377L259-W263 HydrophobicContact CB-CZ2 4.06Å; L259-W263 PolarHBondContact O-N 2.97Å; V260-W263 HydrophobicContact CB-CE3 4.36Å; V260-W263 HydrophobicContact CG2-CE3 4.03Å; V260-W263 HydrophobicContact CG2-CZ3 3.79Å; V260-W263 PolarHBondContact O-N 3.29Å; T261-W263 VanDerWaalsContact C-N 3.33Å; T261-W263 PolarHBondContact O-N 3.43Å; W263-L266 PolarHBondContact O-N 3.13Å; W263-G267 PolarHBondContact O-N 3.33Å; W263-M274 HydrophobicContact CB-CE 3.81Å; W263-M274 WeakPolarHBondContact O-CE 3.49Å; W263-F318 HydrophobicContact CH2-CE1 4.28Å; W263-F318 AromaticContact CZ3-CE1 3.97Å; W263-F318 HydrophobicContact CZ3-CE1 3.97Å; W263-F318 AromaticContact CZ3-CZ 3.97Å; W263-F318 HydrophobicContact CZ3-CZ 3.97Å; W263-L327 HydrophobicContact CH2-CD1 3.65Å; W263-L327 HydrophobicContact CZ3-CD1 3.83Å; W263-L331 HydrophobicContact CD2-CD1 4Å; W263-L331 HydrophobicContact CD2-CD2 4.3Å; W263-L331 HydrophobicContact CE3-CD1 4.37Å; W263-L331 HydrophobicContact CG-CD1 4.12Å; W263-L331 HydrophobicContact CH2-CD2 4.09Å; W263-L331 HydrophobicContact CZ2-CD2 3.68Å; W263-F339 HydrophobicContact CH2-CB 4.31Å; W263-F339 AromaticContact CH2-CD2 3.42Å; W263-F339 HydrophobicContact CH2-CD2 3.42Å; W263-F339 VanDerWaalsContact CH2-CD2 3.42Å; W263-F339 AromaticContact CH2-CE2 3.85Å; W263-F339 HydrophobicContact CH2-CE2 3.85Å; W263-F339 AromaticContact CH2-CG 3.86Å; W263-F339 HydrophobicContact CH2-CG 3.86Å; W263-F339 HydrophobicContact CZ2-CB 3.97Å; W263-F339 AromaticContact CZ2-CD2 3.72Å; W263-F339 HydrophobicContact CZ2-CD2 3.72Å; W263-F339 HydrophobicContact CZ2-CG 4.01Å; W263-Y377 AromaticContact CD1-CE1 3.85Å; W263-Y377 AromaticContact NE1-CE1 3.72Å; W263-Y377 AromaticContact NE1-CZ 3.73Å; W263-Y377 PolarHBondContact NE1-OH 3.1Å
264I97.2Very high96.8Very high30 Ų3054.1 Ų54.115%0.15425%0.25CC..Hα-helixtrans-63.5-46.1175.4-66.7167000110.3V260 T261 L262 L266 G267 H268 I279 L304 V307V260-I264 HydrophobicContact CG1-CD1 4.16Å; V260-I264 WeakPolarHBondContact O-CG1 3.44Å; V260-I264 PolarHBondContact O-N 3.28Å; V260-I264 VanDerWaalsContact O-N 3.09Å; T261-I264 PolarHBondContact O-N 3.04Å; L262-I264 VanDerWaalsContact C-N 3.34Å; L262-I264 PolarHBondContact O-N 2.64Å; I264-L266 PolarHBondContact O-N 3.41Å; I264-G267 WeakPolarHBondContact O-CA 3.47Å; I264-G267 PolarHBondContact O-N 3.22Å; I264-G267 VanDerWaalsContact O-N 3.14Å; I264-H268 VanDerWaalsContact CG2-NE2 3.31Å; I264-H268 WeakPolarHBondContact CG2-NE2 3.45Å; I264-H268 PolarHBondContact O-CD2 3.27Å; I264-H268 PolarHBondContact O-N 3.4Å; I264-I279 HydrophobicContact CG1-CD1 4.24Å; I264-L304 HydrophobicContact CD1-CB 4.18Å; I264-L304 VanDerWaalsContact CD1-O 3.28Å; I264-L304 WeakPolarHBondContact CD1-O 3.2Å; I264-V307 HydrophobicContact CD1-CB 4.46Å; I264-V307 HydrophobicContact CD1-CG1 3.64Å
265E96Very high96.8Very high82 Ų8256.3 Ų56.338%0.38326%0.258SS..Hα-helixtrans-59.6-46.3176.2-72.3176.6-169.400112.3T261 L262 G267 H268 R269T261-E265 WeakPolarHBondContact O-CG 3.25Å; T261-E265 PolarHBondContact O-N 3.17Å; L262-E265 PolarHBondContact O-N 2.99Å; E265-G267 VanDerWaalsContact C-N 3.29Å; E265-G267 PolarHBondContact O-N 2.92Å; E265-H268 PolarHBondContact O-N 3.04Å; E265-R269 WeakPolarHBondContact O-CG 3.41Å; E265-R269 PolarHBondContact O-N 3.32Å
266L97.1Very high96.6Very high25 Ų2560 Ų6013%0.13128%0.284CS..Hα-helixtrans-60.7-39.9174.2-70.9171.8000111.2L262 W263 I264 R269 R270 L271 K272 M274 L335 Y377L262-L266 WeakPolarHBondContact O-CB 3.24Å; L262-L266 VanDerWaalsContact O-CG 3.23Å; L262-L266 WeakPolarHBondContact O-CG 3.23Å; L262-L266 PolarHBondContact O-N 2.97Å; W263-L266 PolarHBondContact O-N 3.13Å; I264-L266 PolarHBondContact O-N 3.41Å; L266-R269 CarbonylContact O-C 3.59Å; L266-R269 PolarHBondContact O-N 3.44Å; L266-R270 WeakPolarHBondContact O-CA 3.43Å; L266-R270 PolarHBondContact O-N 3.44Å; L266-L271 HydrophobicContact CD2-CB 3.81Å; L266-L271 HydrophobicContact CD2-CD1 4.45Å; L266-L271 PolarHBondContact O-N 3.34Å; L266-K272 HydrophobicContact CD2-CG 4.24Å; L266-M274 HydrophobicContact CB-CB 3.83Å; L266-M274 HydrophobicContact CB-CG 3.91Å; L266-M274 HydrophobicContact CD1-CG 4.5Å; L266-L335 HydrophobicContact CD1-CD1 4.12Å; L266-Y377 HydrophobicContact CD1-CD1 4.37Å; L266-Y377 HydrophobicContact CD1-CE1 4.4Å
267G96.8Very high96.5Very high2 Ų262.9 Ų62.92%0.02130%0.304CS..Hα-helixtrans-64.4-40.3176.400000113.3W263 I264 E265 R270W263-G267 PolarHBondContact O-N 3.33Å; I264-G267 WeakPolarHBondContact O-CA 3.47Å; I264-G267 PolarHBondContact O-N 3.22Å; I264-G267 VanDerWaalsContact O-N 3.14Å; E265-G267 VanDerWaalsContact C-N 3.29Å; E265-G267 PolarHBondContact O-N 2.92Å; G267-R270 PolarHBondContact O-N 2.92Å
268H95.2Very high96.5Very high142 Ų14261.9 Ų61.966%0.65730%0.301SS*.Hα-helixtrans-66.1-40.6173.7-72.4-55.9000112.1I264 E265 R270I264-H268 VanDerWaalsContact CG2-NE2 3.31Å; I264-H268 WeakPolarHBondContact CG2-NE2 3.45Å; I264-H268 PolarHBondContact O-CD2 3.27Å; I264-H268 PolarHBondContact O-N 3.4Å; E265-H268 PolarHBondContact O-N 3.04Å; H268-R270 VanDerWaalsContact C-N 3.3Å
269R95.8Very high96.5Very high180 Ų18060.8 Ų60.868%0.67930%0.297SS*.Hα-helixtrans-81.2-7.2179-64.2179.3-175-170.32.9113.9E265 L266 L271E265-R269 WeakPolarHBondContact O-CG 3.41Å; E265-R269 PolarHBondContact O-N 3.32Å; L266-R269 CarbonylContact O-C 3.59Å; L266-R269 PolarHBondContact O-N 3.44Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 HydrophobicContact CB-CD1 3.82Å; R269-L271 HydrophobicContact CB-CG 3.84Å; R269-L271 PolarHBondContact O-N 3.06Å
270R95.5Very high96.4Very high202 Ų20268.9 Ų68.976%0.76233%0.327SS*.THydrogen-bonded Turntrans55.841.9-174.5-58.6-178.7178179.4-0.5113.5L266 G267 H268 M274L266-R270 WeakPolarHBondContact O-CA 3.43Å; L266-R270 PolarHBondContact O-N 3.44Å; G267-R270 PolarHBondContact O-N 2.92Å; H268-R270 VanDerWaalsContact C-N 3.3Å; R270-M274 WeakPolarHBondContact CA-O 3.35Å
271L95.8Very high96.3Very high87 Ų8771.5 Ų71.546%0.45534%0.344SS..  trans-104.3155.8-178.8-64.6176.1000111.5L266 R269 N273 M274L266-L271 HydrophobicContact CD2-CB 3.81Å; L266-L271 HydrophobicContact CD2-CD1 4.45Å; L266-L271 PolarHBondContact O-N 3.34Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 HydrophobicContact CB-CD1 3.82Å; R269-L271 HydrophobicContact CB-CG 3.84Å; R269-L271 PolarHBondContact O-N 3.06Å; L271-N273 PolarHBondContact O-N 3.39Å; L271-N273 VanDerWaalsContact O-N 3.15Å; L271-M274 WeakPolarHBondContact O-CB 3.5Å; L271-M274 PolarHBondContact O-N 2.94Å
272K94.1Very high96.3Very high89 Ų8969 Ų6939%0.38733%0.328SS..THydrogen-bonded Turntrans52.237.1175.8-58.7-74-167.9165.90113.1L266 M274 P332 W375L266-K272 HydrophobicContact CD2-CG 4.24Å; K272-M274 PolarHBondContact O-N 3.47Å; K272-M274 VanDerWaalsContact O-N 3.1Å; K272-P332 WeakPolarHBondContact O-CB 3.46Å; K272-P332 VanDerWaalsContact O-CG 3.26Å; K272-P332 WeakPolarHBondContact O-CG 3.11Å; K272-W375 PolarHBondContact NZ-O 3.17Å
273N95.1Very high96.2Very high137 Ų13769.2 Ų69.273%0.73333%0.329SS*.THydrogen-bonded Turntrans60.911-175.6-57.8-27.2000115.5L271 P332L271-N273 PolarHBondContact O-N 3.39Å; L271-N273 VanDerWaalsContact O-N 3.15Å; N273-P332 HydrophobicContact CB-CB 4.28Å; N273-P332 HydrophobicContact CB-CG 4.02Å
274M96.7Very high96.1Very high2 Ų275.2 Ų75.21%0.0136%0.355CS..  trans-78.4141.7169.1-70.5-64.3-64.600110.2W263 L266 R270 L271 K272 V278 I279 L331 P332 L335W263-M274 HydrophobicContact CB-CE 3.81Å; W263-M274 WeakPolarHBondContact O-CE 3.49Å; L266-M274 HydrophobicContact CB-CB 3.83Å; L266-M274 HydrophobicContact CB-CG 3.91Å; L266-M274 HydrophobicContact CD1-CG 4.5Å; R270-M274 WeakPolarHBondContact CA-O 3.35Å; L271-M274 WeakPolarHBondContact O-CB 3.5Å; L271-M274 PolarHBondContact O-N 2.94Å; K272-M274 PolarHBondContact O-N 3.47Å; K272-M274 VanDerWaalsContact O-N 3.1Å; M274-V278 HydrophobicContact CE-CB 4.49Å; M274-V278 HydrophobicContact CE-CG1 3.95Å; M274-V278 HydrophobicContact SD-CG1 3.9Å; M274-I279 HydrophobicContact CE-CD1 3.52Å; M274-I279 HydrophobicContact CE-CG1 4.27Å; M274-L331 HydrophobicContact CE-CD1 4.08Å; M274-L331 HydrophobicContact SD-CD1 3.61Å; M274-P332 HydrophobicContact CG-CG 4.03Å; M274-P332 WeakPolarHBondContact SD-CD 3.41Å; M274-P332 HydrophobicContact SD-CG 3.68Å; M274-L335 HydrophobicContact CG-CD1 3.77Å; M274-L335 HydrophobicContact SD-CD1 4.09Å
275N96.2Very high95.9Very high58 Ų5874.4 Ų74.431%0.3135%0.351SS..  trans-157.6172.9173.459.562000110.1C277 V278 I279N275-C277 PolarHBondContact O-N 2.9Å; N275-C277 WeakPolarHBondContact OD1-CA 3.16Å; N275-C277 WeakPolarHBondContact OD1-CB 3.49Å; N275-C277 PolarHBondContact OD1-N 3.47Å; N275-V278 WeakPolarHBondContact O-CB 3.35Å; N275-V278 PolarHBondContact O-N 3.08Å; N275-V278 VanDerWaalsContact O-N 3.14Å; N275-V278 PolarHBondContact OD1-N 3.17Å; N275-V278 VanDerWaalsContact OD1-N 3.12Å; N275-I279 PolarHBondContact O-N 3.42Å
276S95Very high95.9Very high78 Ų7870.6 Ų70.655%0.54533%0.333SS..Hα-helixtrans-60.6-25-179.8-48.50000114.1R280S276-R280 VanDerWaalsContact O-CB 3.27Å; S276-R280 WeakPolarHBondContact O-CB 3.42Å; S276-R280 PolarHBondContact O-N 3.48Å
277C96.4Very high95.7Very high62 Ų6272.4 Ų72.442%0.41935%0.348SS..Hα-helixtrans-70.8-39.9176.7-164.80000111.6N275 R280 T281N275-C277 PolarHBondContact O-N 2.9Å; N275-C277 WeakPolarHBondContact OD1-CA 3.16Å; N275-C277 WeakPolarHBondContact OD1-CB 3.49Å; N275-C277 PolarHBondContact OD1-N 3.47Å; C277-R280 PolarHBondContact O-N 2.79Å; C277-T281 WeakPolarHBondContact O-CB 3.37Å; C277-T281 PolarHBondContact O-N 2.95Å; C277-T281 PolarHBondContact O-OG1 3.45Å
278V96.8Very high95.5Very high20 Ų2079 Ų7912%0.12137%0.372CS..Hα-helixtrans-59.5-51.7173.5175.60000110M274 N275 R280 T281 I282 I330M274-V278 HydrophobicContact CE-CB 4.49Å; M274-V278 HydrophobicContact CE-CG1 3.95Å; M274-V278 HydrophobicContact SD-CG1 3.9Å; N275-V278 WeakPolarHBondContact O-CB 3.35Å; N275-V278 PolarHBondContact O-N 3.08Å; N275-V278 VanDerWaalsContact O-N 3.14Å; N275-V278 PolarHBondContact OD1-N 3.17Å; N275-V278 VanDerWaalsContact OD1-N 3.12Å; V278-R280 PolarHBondContact O-N 3.04Å; V278-T281 WeakPolarHBondContact O-CB 3.11Å; V278-T281 PolarHBondContact O-N 3.15Å; V278-T281 VanDerWaalsContact O-N 3.13Å; V278-I282 HydrophobicContact CG1-CD1 3.95Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.4Å; V278-I330 HydrophobicContact CG1-CG2 4.22Å; V278-I330 WeakPolarHBondContact CG1-O 3.24Å
279I97Very high95.3Very high16 Ų1672.4 Ų72.48%0.08234%0.342CS..Hα-helixtrans-58.2-46.5178.3-59.7-60.5000111.4I264 M274 N275 T281 I282 N283 L304I264-I279 HydrophobicContact CG1-CD1 4.24Å; M274-I279 HydrophobicContact CE-CD1 3.52Å; M274-I279 HydrophobicContact CE-CG1 4.27Å; N275-I279 PolarHBondContact O-N 3.42Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.44Å; I279-I282 PolarHBondContact O-N 2.96Å; I279-N283 VanDerWaalsContact O-CG 3.27Å; I279-N283 PolarHBondContact O-N 3.12Å; I279-L304 HydrophobicContact CD1-CD1 4.07Å
280R97.1Very high95Very high172 Ų17266.3 Ų66.365%0.64933%0.325SS*.Hα-helixtrans-60.2-38.9177.5-178.7173.761.3-178.6-1.9112.4S276 C277 V278 N283 K284S276-R280 VanDerWaalsContact O-CB 3.27Å; S276-R280 WeakPolarHBondContact O-CB 3.42Å; S276-R280 PolarHBondContact O-N 3.48Å; C277-R280 PolarHBondContact O-N 2.79Å; V278-R280 PolarHBondContact O-N 3.04Å; R280-N283 PolarHBondContact O-N 3.19Å; R280-K284 PolarHBondContact O-N 3.09Å
281T96.3Very high94.5Very high55 Ų5564.6 Ų64.634%0.33733%0.326SS..Hα-helixtrans-66.6-44.6177.9-55.70000110.8C277 V278 I279 N283 K284 L285 I330C277-T281 WeakPolarHBondContact O-CB 3.37Å; C277-T281 PolarHBondContact O-N 2.95Å; C277-T281 PolarHBondContact O-OG1 3.45Å; V278-T281 WeakPolarHBondContact O-CB 3.11Å; V278-T281 PolarHBondContact O-N 3.15Å; V278-T281 VanDerWaalsContact O-N 3.13Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.44Å; T281-N283 PolarHBondContact O-N 3.49Å; T281-K284 PolarHBondContact O-N 3.18Å; T281-L285 PolarHBondContact O-N 3.07Å; T281-L285 VanDerWaalsContact O-N 3.12Å; T281-I330 HydrophobicContact CG2-CD1 3.94Å; T281-I330 HydrophobicContact CG2-CG2 4.09Å
282I96Very high94Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-60.5-46.9175.3-61.6165.5000110.5V278 I279 K284 L285 I286 L304 I326 L327 I330V278-I282 HydrophobicContact CG1-CD1 3.95Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.4Å; I279-I282 PolarHBondContact O-N 2.96Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 3.41Å; I282-L285 PolarHBondContact O-N 3.05Å; I282-I286 HydrophobicContact CG2-CD1 3.91Å; I282-I286 HydrophobicContact CG2-CG1 4.26Å; I282-I286 WeakPolarHBondContact O-CG1 3.35Å; I282-I286 PolarHBondContact O-N 3.34Å; I282-L304 HydrophobicContact CB-CD1 4.06Å; I282-L304 HydrophobicContact CD1-CD1 4.08Å; I282-L304 HydrophobicContact CG2-CD1 3.7Å; I282-L304 HydrophobicContact CG2-CD2 4.24Å; I282-L304 HydrophobicContact CG2-CG 3.95Å; I282-I326 HydrophobicContact CG2-CD1 4.45Å; I282-L327 HydrophobicContact CD1-CD2 3.7Å; I282-L327 HydrophobicContact CG1-CD2 3.86Å; I282-L327 HydrophobicContact CG2-CD2 3.83Å; I282-I330 HydrophobicContact CD1-CG2 4.37Å; I282-I330 HydrophobicContact CG1-CG2 3.68Å
283N96.7Very high93.9Very high15 Ų1557.8 Ų57.88%0.0830%0.297CS..Hα-helixtrans-59.1-39.5178.3-70.9-15.6000112.6I279 R280 T281 L285 I286 S287 T303 L304 D305I279-N283 VanDerWaalsContact O-CG 3.27Å; I279-N283 PolarHBondContact O-N 3.12Å; R280-N283 PolarHBondContact O-N 3.19Å; T281-N283 PolarHBondContact O-N 3.49Å; N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3.26Å; N283-I286 PolarHBondContact O-N 3.39Å; N283-S287 WeakPolarHBondContact O-CB 3.41Å; N283-S287 PolarHBondContact O-N 3.28Å; N283-S287 PolarHBondContact O-OG 3.3Å; N283-T303 HydrophobicContact CB-CG2 3.9Å; N283-T303 WeakPolarHBondContact OD1-CB 3.27Å; N283-L304 VanDerWaalsContact OD1-CB 3.3Å; N283-L304 WeakPolarHBondContact OD1-CB 3.37Å; N283-L304 WeakPolarHBondContact OD1-CG 3.43Å; N283-L304 PolarHBondContact OD1-N 3.5Å; N283-D305 PolarHBondContact ND2-OD1 3.08Å; N283-D305 PolarHBondContact ND2-OD2 3.1Å
284K95.2Very high93.8Very high125 Ų12551.2 Ų51.254%0.54326%0.262SS..Hα-helixtrans-62.9-39.8175.2-175.3177.5-179.4178.40111.7R280 T281 I282 R288R280-K284 PolarHBondContact O-N 3.09Å; T281-K284 PolarHBondContact O-N 3.18Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 3.41Å; K284-R288 WeakPolarHBondContact O-CG 3.21Å; K284-R288 PolarHBondContact O-N 3.28Å; K284-R288 VanDerWaalsContact O-N 3.16Å
285L94Very high93.6Very high14 Ų1454.3 Ų54.37%0.07328%0.284CS..Hα-helixtrans-72.2-41.9177.7-69.5176.8000112.8T281 I282 N283 S287 R288 C289 I326 I330T281-L285 PolarHBondContact O-N 3.07Å; T281-L285 VanDerWaalsContact O-N 3.12Å; I282-L285 PolarHBondContact O-N 3.05Å; N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3.41Å; L285-R288 PolarHBondContact O-N 3.15Å; L285-C289 PolarHBondContact O-N 2.96Å; L285-C289 PolarHBondContact O-SG 3.17Å; L285-I326 HydrophobicContact CB-CB 4.12Å; L285-I326 HydrophobicContact CB-CG2 4.4Å; L285-I326 HydrophobicContact CD1-CB 4.23Å; L285-I326 WeakPolarHBondContact CD1-O 3.34Å; L285-I330 HydrophobicContact CD1-CD1 3.11Å; L285-I330 HydrophobicContact CG-CD1 4.43Å
286I94.6Very high93.4Very high1 Ų153.2 Ų53.21%0.00528%0.277CS..Hα-helixtrans-55.2-49.3172.8-67172.2000109.4I282 N283 R288 C289 V290 C301 L304 F318 I326I282-I286 HydrophobicContact CG2-CD1 3.91Å; I282-I286 HydrophobicContact CG2-CG1 4.26Å; I282-I286 WeakPolarHBondContact O-CG1 3.35Å; I282-I286 PolarHBondContact O-N 3.34Å; N283-I286 PolarHBondContact O-N 3.39Å; I286-R288 VanDerWaalsContact C-N 3.28Å; I286-R288 PolarHBondContact O-N 2.9Å; I286-C289 PolarHBondContact O-N 2.87Å; I286-V290 PolarHBondContact O-N 3.39Å; I286-C301 HydrophobicContact CG2-CB 4.21Å; I286-C301 VanDerWaalsContact CG2-O 3.28Å; I286-C301 WeakPolarHBondContact CG2-O 3.48Å; I286-L304 HydrophobicContact CD1-CD2 3.59Å; I286-L304 HydrophobicContact CD1-CG 4.01Å; I286-F318 HydrophobicContact CD1-CE2 4.12Å; I286-I326 HydrophobicContact CD1-CD1 4.35Å; I286-I326 HydrophobicContact CG1-CD1 3.43Å; I286-I326 VanDerWaalsContact CG1-CD1 3.43Å
287S94.2Very high93.2Very high64 Ų6450.2 Ų50.245%0.44826%0.255SS..Hα-helixtrans-58.4-38.8-179.6-55.90000112.4N283 L285 V290N283-S287 WeakPolarHBondContact O-CB 3.41Å; N283-S287 PolarHBondContact O-N 3.28Å; N283-S287 PolarHBondContact O-OG 3.3Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3.41Å; S287-V290 WeakPolarHBondContact O-CB 3.32Å; S287-V290 PolarHBondContact O-N 3.32Å
288R91.3Very high92.8Very high139 Ų13952.5 Ų52.553%0.52527%0.269SS..Hα-helixtrans-67.4-36.6174.8-74172.1172.1-172.3-7.3112.9K284 L285 I286 V290K284-R288 WeakPolarHBondContact O-CG 3.21Å; K284-R288 PolarHBondContact O-N 3.28Å; K284-R288 VanDerWaalsContact O-N 3.16Å; L285-R288 PolarHBondContact O-N 3.15Å; I286-R288 VanDerWaalsContact C-N 3.28Å; I286-R288 PolarHBondContact O-N 2.9Å; R288-V290 PolarHBondContact O-N 3.36Å
289C91.1Very high92.4Very high4 Ų456.9 Ų56.93%0.02728%0.283CS..Hα-helixtrans-74-13.9-178.7-63.20000113.5L285 I286 E291 S292 T293 L322L285-C289 PolarHBondContact O-N 2.96Å; L285-C289 PolarHBondContact O-SG 3.17Å; I286-C289 PolarHBondContact O-N 2.87Å; C289-E291 VanDerWaalsContact C-N 3.29Å; C289-E291 PolarHBondContact O-N 3.27Å; C289-S292 PolarHBondContact O-N 3.47Å; C289-S292 VanDerWaalsContact O-N 3.17Å; C289-T293 PolarHBondContact O-N 3.01Å; C289-T293 PolarHBondContact O-OG1 2.9Å; C289-L322 HydrophobicContact CB-CD2 3.69Å
290V89.3Confident92.2Very high52 Ų5259.9 Ų59.932%0.31530%0.296SS..THydrogen-bonded Turntrans-56.9-43.7178.8171.60000111.3I286 S287 R288 S292 T293 K300I286-V290 PolarHBondContact O-N 3.39Å; S287-V290 WeakPolarHBondContact O-CB 3.32Å; S287-V290 PolarHBondContact O-N 3.32Å; R288-V290 PolarHBondContact O-N 3.36Å; V290-S292 VanDerWaalsContact C-N 3.29Å; V290-S292 PolarHBondContact O-N 2.75Å; V290-T293 WeakPolarHBondContact O-CB 3.39Å; V290-T293 PolarHBondContact O-N 2.97Å; V290-T293 PolarHBondContact O-OG1 2.99Å; V290-K300 HydrophobicContact CG1-CB 3.97Å; V290-K300 HydrophobicContact CG1-CG 3.98Å; V290-K300 HydrophobicContact CG2-CB 4.44Å
291E85.2Confident92Very high166 Ų16651.9 Ų51.978%0.77627%0.266SS*.THydrogen-bonded Turntrans-67.6-29.7-179.7-66176.7-177.100112.4C289C289-E291 VanDerWaalsContact C-N 3.29Å; C289-E291 PolarHBondContact O-N 3.27Å
292S85.4Confident92Very high32 Ų3253.3 Ų53.322%0.22427%0.265CS..THydrogen-bonded Turntrans-90.94-179.6-43.40000113.9C289 V290 P294 S544C289-S292 PolarHBondContact O-N 3.47Å; C289-S292 VanDerWaalsContact O-N 3.17Å; V290-S292 VanDerWaalsContact C-N 3.29Å; V290-S292 PolarHBondContact O-N 2.75Å; S292-P294 WeakPolarHBondContact O-CD 3.25Å; S292-S544 VanDerWaalsContact CB-O 3.23Å; S292-S544 WeakPolarHBondContact CB-O 3.43Å
293T92.3Very high92Very high1 Ų154.3 Ų54.31%0.00627%0.271CS..  trans-82.4123-178.7-57.70000110.4C289 V290 F297 K300 L317 P475 M543C289-T293 PolarHBondContact O-N 3.01Å; C289-T293 PolarHBondContact O-OG1 2.9Å; V290-T293 WeakPolarHBondContact O-CB 3.39Å; V290-T293 PolarHBondContact O-N 2.97Å; V290-T293 PolarHBondContact O-OG1 2.99Å; T293-F297 HydrophobicContact CG2-CB 3.87Å; T293-F297 HydrophobicContact CG2-CD2 3.71Å; T293-F297 HydrophobicContact CG2-CG 4.05Å; T293-K300 HydrophobicContact CG2-CD 3.66Å; T293-K300 PolarHBondContact O-NZ 2.83Å; T293-L317 HydrophobicContact CG2-CD1 4.43Å; T293-L317 HydrophobicContact CG2-CD2 3.91Å; T293-P475 WeakPolarHBondContact O-CG 3.47Å; T293-M543 HydrophobicContact CG2-CE 4.43Å
294P93Very high92Very high0 Ų053.6 Ų53.60%027%0.268CS..  trans-53.8156.6175.5-30.538.7000114.6S292 D296 F297 K300 D476 M543 L556S292-P294 WeakPolarHBondContact O-CD 3.25Å; P294-D296 HydrophobicContact CB-CB 4.43Å; P294-D296 PolarHBondContact O-N 3.39Å; P294-F297 HydrophobicContact CB-CD2 4.23Å; P294-F297 HydrophobicContact CB-CE2 4.38Å; P294-F297 HydrophobicContact CG-CE2 4.31Å; P294-F297 PolarHBondContact O-N 3.01Å; P294-K300 PolarHBondContact O-NZ 3.41Å; P294-K300 VanDerWaalsContact O-NZ 3.17Å; P294-D476 WeakPolarHBondContact CA-OD1 3.3Å; P294-D476 VanDerWaalsContact CB-OD1 3.31Å; P294-D476 WeakPolarHBondContact CB-OD1 3.49Å; P294-M543 HydrophobicContact CG-CB 4.15Å; P294-M543 HydrophobicContact CG-CG 4.39Å; P294-L556 HydrophobicContact CB-CD1 4.05Å; P294-L556 HydrophobicContact CG-CD1 4.1Å; P294-L556 HydrophobicContact CG-CD2 4.37Å
295S92.5Very high92Very high67 Ų6752.4 Ų52.447%0.46927%0.267SS..THydrogen-bonded Turntrans-64.5-18.1174.470.20000113.1F297 D476S295-F297 PolarHBondContact O-N 3.35Å; S295-D476 WeakPolarHBondContact CB-OD2 3.38Å; S295-D476 PolarHBondContact N-OD1 2.78Å; S295-D476 PolarHBondContact N-OD2 3.5Å; S295-D476 PolarHBondContact OG-OD1 3.33Å
296D92Very high92.2Very high34 Ų3458 Ų5818%0.18229%0.289CS..THydrogen-bonded Turntrans-58.9-27.4174-62.4-102.1000113.6P294 P298 S468 K541 L556 H558P294-D296 HydrophobicContact CB-CB 4.43Å; P294-D296 PolarHBondContact O-N 3.39Å; D296-P298 WeakPolarHBondContact O-CD 3.27Å; D296-S468 VanDerWaalsContact CG-OG 3.25Å; D296-S468 WeakPolarHBondContact OD1-CB 3.43Å; D296-S468 PolarHBondContact OD1-OG 3.44Å; D296-S468 PolarHBondContact OD2-OG 3.01Å; D296-K541 WeakPolarHBondContact OD2-CE 3.48Å; D296-K541 IonicContact OD2-NZ 3.95Å; D296-K541 PolarHBondContact OD2-NZ 2.87Å; D296-L556 HydrophobicContact CB-CD1 4.17Å; D296-H558 IonicContact OD1-CD2 3.98Å; D296-H558 IonicContact OD1-CE1 3.23Å; D296-H558 IonicContact OD1-NE2 3.69Å; D296-H558 PolarHBondContact OD1-NE2 2.91Å
297F91.9Very high92.3Very high15 Ų1558.6 Ų58.67%0.06629%0.292CS..SBendtrans-88.9112.5-179.8-63.5-81.5000109.5T293 P294 S295 R299 L317 Y321 M543 L556T293-F297 HydrophobicContact CG2-CB 3.87Å; T293-F297 HydrophobicContact CG2-CD2 3.71Å; T293-F297 HydrophobicContact CG2-CG 4.05Å; P294-F297 HydrophobicContact CB-CD2 4.23Å; P294-F297 HydrophobicContact CB-CE2 4.38Å; P294-F297 HydrophobicContact CG-CE2 4.31Å; P294-F297 PolarHBondContact O-N 3.01Å; S295-F297 PolarHBondContact O-N 3.35Å; F297-R299 PolarHBondContact O-N 2.99Å; F297-L317 HydrophobicContact CB-CD2 4.47Å; F297-L317 HydrophobicContact CD1-CB 4.09Å; F297-L317 HydrophobicContact CD1-CD1 3.84Å; F297-L317 HydrophobicContact CD1-CD2 4.46Å; F297-L317 HydrophobicContact CD1-CG 4.34Å; F297-L317 HydrophobicContact CD2-CD1 4.16Å; F297-L317 HydrophobicContact CE1-CB 4.25Å; F297-L317 HydrophobicContact CE1-CD1 3.69Å; F297-L317 HydrophobicContact CE2-CD1 4.01Å; F297-L317 HydrophobicContact CG-CD1 4.06Å; F297-L317 HydrophobicContact CG-CD2 4.4Å; F297-L317 HydrophobicContact CZ-CD1 3.77Å; F297-Y321 HydrophobicContact CE1-CD2 4.02Å; F297-Y321 AromaticContact CE1-CE2 3.81Å; F297-Y321 HydrophobicContact CE1-CE2 3.81Å; F297-Y321 HydrophobicContact CZ-CD1 4.48Å; F297-Y321 AromaticContact CZ-CD2 3.83Å; F297-Y321 HydrophobicContact CZ-CD2 3.83Å; F297-Y321 HydrophobicContact CZ-CE1 4.34Å; F297-Y321 AromaticContact CZ-CE2 3.7Å; F297-Y321 HydrophobicContact CZ-CE2 3.7Å; F297-Y321 HydrophobicContact CZ-CG 4.25Å; F297-Y321 AromaticContact CZ-CZ 3.98Å; F297-M543 HydrophobicContact CE2-SD 4.35Å; F297-L556 HydrophobicContact CE2-CD2 3.6Å; F297-L556 HydrophobicContact CZ-CD2 3.75Å
298P86.1Confident92.3Very high111 Ų11160.1 Ų60.172%0.72130%0.303SS*.SBendtrans-66.2-13.5-175.727.7-36.4000113D296D296-P298 WeakPolarHBondContact O-CD 3.27Å
299R89.5Confident92.5Very high111 Ų11157.1 Ų57.142%0.41930%0.299SS..SBendtrans-137.5140.1175-62.8-174-175.2-77-4.6109.3F297 E314F297-R299 PolarHBondContact O-N 2.99Å; R299-E314 HydrophobicContact CB-CG 3.84Å
300K91.9Very high92.7Very high79 Ų7957 Ų5734%0.34330%0.298SS..PPolyproline II helixtrans-79.4149.3165.8-50.7-59.6-178.2-168.70109V290 T293 P294 R302V290-K300 HydrophobicContact CG1-CB 3.97Å; V290-K300 HydrophobicContact CG1-CG 3.98Å; V290-K300 HydrophobicContact CG2-CB 4.44Å; T293-K300 HydrophobicContact CG2-CD 3.66Å; T293-K300 PolarHBondContact O-NZ 2.83Å; P294-K300 PolarHBondContact O-NZ 3.41Å; P294-K300 VanDerWaalsContact O-NZ 3.17Å; K300-R302 PolarHBondContact O-N 2.91Å
301C93Very high93Very high4 Ų459.9 Ų59.93%0.02731%0.307CS..PPolyproline II helixtrans-72.7120.2180-168.60000109.9I286 L317 L322I286-C301 HydrophobicContact CG2-CB 4.21Å; I286-C301 VanDerWaalsContact CG2-O 3.28Å; I286-C301 WeakPolarHBondContact CG2-O 3.48Å; C301-L317 HydrophobicContact CB-CD2 3.99Å; C301-L317 HydrophobicContact CB-CG 4.49Å; C301-L322 HydrophobicContact CB-CD1 3.63Å
302R96.1Very high93.6Very high85 Ų8552.4 Ų52.432%0.32127%0.273SS..PPolyproline II helixtrans-72.4161.1170-73172.5-75.5177.7-2.8110.8K300 Y306 V309 W310 E314K300-R302 PolarHBondContact O-N 2.91Å; R302-Y306 HydrophobicContact CB-CD2 4.4Å; R302-V309 VanDerWaalsContact NH2-C 3.35Å; R302-V309 PolarHBondContact NH2-O 2.89Å; R302-W310 WeakPolarHBondContact O-CZ2 3.19Å; R302-W310 PolarHBondContact O-NE1 3.11Å; R302-E314 IonicContact CZ-OE1 3.42Å; R302-E314 IonicContact CZ-OE2 3.03Å; R302-E314 PolarHBondContact N-OE1 3.27Å; R302-E314 IonicContact NE-OE1 2.7Å; R302-E314 PolarHBondContact NE-OE1 3.26Å; R302-E314 IonicContact NE-OE2 3.01Å; R302-E314 IonicContact NH2-OE1 2.67Å; R302-E314 PolarHBondContact NH2-OE1 2.99Å; R302-E314 IonicContact NH2-OE2 2.7Å; R302-E314 PolarHBondContact NH2-OE2 3.4Å
303T97.1Very high94Very high21 Ų2152 Ų5213%0.12927%0.27CS..PPolyproline II helixtrans-61.4164175.564.10000111.8N283 D305 Y306 W310N283-T303 HydrophobicContact CB-CG2 3.9Å; N283-T303 WeakPolarHBondContact OD1-CB 3.27Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.15Å; T303-D305 PolarHBondContact OG1-OD2 3.17Å; T303-D305 VanDerWaalsContact OG1-OD2 3.07Å; T303-Y306 PolarHBondContact O-N 3.18Å; T303-Y306 VanDerWaalsContact OG1-CD2 3.31Å; T303-Y306 WeakPolarHBondContact OG1-CD2 3.48Å; T303-W310 PolarHBondContact O-NE1 3.2Å
304L97Very high94.3Very high0 Ų052 Ų520%027%0.271CS..G310 helixtrans-59.6-26.8-179.1-55.4-169.3000112V260 I264 I279 I282 N283 I286 Y306 V307 W310 F318V260-L304 HydrophobicContact CG1-CB 4.2Å; V260-L304 HydrophobicContact CG1-CD1 4.48Å; V260-L304 HydrophobicContact CG1-CD2 3.73Å; V260-L304 HydrophobicContact CG1-CG 4.34Å; V260-L304 HydrophobicContact CG2-CD2 4.47Å; I264-L304 HydrophobicContact CD1-CB 4.18Å; I264-L304 VanDerWaalsContact CD1-O 3.28Å; I264-L304 WeakPolarHBondContact CD1-O 3.2Å; I279-L304 HydrophobicContact CD1-CD1 4.07Å; I282-L304 HydrophobicContact CB-CD1 4.06Å; I282-L304 HydrophobicContact CD1-CD1 4.08Å; I282-L304 HydrophobicContact CG2-CD1 3.7Å; I282-L304 HydrophobicContact CG2-CD2 4.24Å; I282-L304 HydrophobicContact CG2-CG 3.95Å; N283-L304 VanDerWaalsContact OD1-CB 3.3Å; N283-L304 WeakPolarHBondContact OD1-CB 3.37Å; N283-L304 WeakPolarHBondContact OD1-CG 3.43Å; N283-L304 PolarHBondContact OD1-N 3.5Å; I286-L304 HydrophobicContact CD1-CD2 3.59Å; I286-L304 HydrophobicContact CD1-CG 4.01Å; L304-Y306 PolarHBondContact O-N 2.9Å; L304-V307 WeakPolarHBondContact O-CB 3.2Å; L304-V307 WeakPolarHBondContact O-CG1 3.41Å; L304-V307 PolarHBondContact O-N 3.15Å; L304-W310 HydrophobicContact CD2-CH2 3.78Å; L304-W310 HydrophobicContact CD2-CZ2 3.9Å; L304-F318 HydrophobicContact CD2-CE2 4.18Å; L304-F318 HydrophobicContact CD2-CZ 4.3Å
305D95.5Very high94.5Very high101 Ų10152 Ų5254%0.5427%0.271SS..G310 helixtrans-58-24.2177.4-45.4-45.9000112.7N283 T303N283-D305 PolarHBondContact ND2-OD1 3.08Å; N283-D305 PolarHBondContact ND2-OD2 3.1Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.15Å; T303-D305 PolarHBondContact OG1-OD2 3.17Å; T303-D305 VanDerWaalsContact OG1-OD2 3.07Å
306Y96.8Very high94.7Very high132 Ų13250 Ų5052%0.51825%0.253SS..G310 helixtrans-104.715.7-179.4-60.1-82.7000113.2R302 T303 L304 S308 V309 W310R302-Y306 HydrophobicContact CB-CD2 4.4Å; T303-Y306 PolarHBondContact O-N 3.18Å; T303-Y306 VanDerWaalsContact OG1-CD2 3.31Å; T303-Y306 WeakPolarHBondContact OG1-CD2 3.48Å; L304-Y306 PolarHBondContact O-N 2.9Å; Y306-S308 PolarHBondContact O-N 2.98Å; Y306-S308 VanDerWaalsContact O-N 3.13Å; Y306-V309 HydrophobicContact CD1-CG2 4.46Å; Y306-V309 WeakPolarHBondContact O-CG2 3.32Å; Y306-V309 PolarHBondContact O-N 3.22Å; Y306-W310 PolarHBondContact O-N 2.85Å
307V96.3Very high94.9Very high12 Ų1248.4 Ų48.47%0.07324%0.244CC..G310 helixtrans-54.3-36-176660000113.1K257 V260 I264 L304 V309 W310K257-V307 HydrophobicContact CB-CG2 4.43Å; K257-V307 HydrophobicContact CG-CG2 4.48Å; V260-V307 HydrophobicContact CB-CG2 3.78Å; V260-V307 HydrophobicContact CG1-CB 3.79Å; V260-V307 HydrophobicContact CG1-CG1 4.28Å; V260-V307 HydrophobicContact CG1-CG2 3.52Å; I264-V307 HydrophobicContact CD1-CB 4.46Å; I264-V307 HydrophobicContact CD1-CG1 3.64Å; L304-V307 WeakPolarHBondContact O-CB 3.2Å; L304-V307 WeakPolarHBondContact O-CG1 3.41Å; L304-V307 PolarHBondContact O-N 3.15Å; V307-V309 PolarHBondContact O-N 3.33Å; V307-V309 VanDerWaalsContact O-N 3.15Å; V307-W310 HydrophobicContact CB-CD2 4.5Å; V307-W310 HydrophobicContact CG2-CD2 4.3Å; V307-W310 HydrophobicContact CG2-CE3 4.27Å; V307-W310 WeakPolarHBondContact O-CB 3.29Å; V307-W310 PolarHBondContact O-N 2.96Å; V307-W310 VanDerWaalsContact O-N 3.14Å
308S94.7Very high95.2Very high97 Ų9747.7 Ų47.768%0.67824%0.241SC*.G310 helixtrans-57.2-33.7179.960.70000112.2Y306Y306-S308 PolarHBondContact O-N 2.98Å; Y306-S308 VanDerWaalsContact O-N 3.13Å
309V95.4Very high95.7Very high75 Ų7542.4 Ų42.446%0.45521%0.206SC..G310 helixtrans-104.10.9-178-66.90000113.9R302 Y306 V307R302-V309 VanDerWaalsContact NH2-C 3.35Å; R302-V309 PolarHBondContact NH2-O 2.89Å; Y306-V309 HydrophobicContact CD1-CG2 4.46Å; Y306-V309 WeakPolarHBondContact O-CG2 3.32Å; Y306-V309 PolarHBondContact O-N 3.22Å; V307-V309 PolarHBondContact O-N 3.33Å; V307-V309 VanDerWaalsContact O-N 3.15Å
310W96.6Very high96.1Very high2 Ų237.3 Ų37.31%0.00819%0.188CC..  trans-52143.1174.2-79.712.5000111.4K257 V260 R302 T303 L304 Y306 V307 E314 F318K257-W310 WeakPolarHBondContact CE-O 3.28Å; K257-W310 PolarHBondContact NZ-O 3.05Å; V260-W310 HydrophobicContact CG2-CH2 4.27Å; V260-W310 HydrophobicContact CG2-CZ3 4.1Å; R302-W310 WeakPolarHBondContact O-CZ2 3.19Å; R302-W310 PolarHBondContact O-NE1 3.11Å; T303-W310 PolarHBondContact O-NE1 3.2Å; L304-W310 HydrophobicContact CD2-CH2 3.78Å; L304-W310 HydrophobicContact CD2-CZ2 3.9Å; Y306-W310 PolarHBondContact O-N 2.85Å; V307-W310 HydrophobicContact CB-CD2 4.5Å; V307-W310 HydrophobicContact CG2-CD2 4.3Å; V307-W310 HydrophobicContact CG2-CE3 4.27Å; V307-W310 WeakPolarHBondContact O-CB 3.29Å; V307-W310 PolarHBondContact O-N 2.96Å; V307-W310 VanDerWaalsContact O-N 3.14Å; W310-E314 HydrophobicContact CB-CB 4.44Å; W310-E314 HydrophobicContact CG-CB 4.41Å; W310-F318 HydrophobicContact CH2-CB 4.2Å; W310-F318 HydrophobicContact CH2-CD1 4.25Å; W310-F318 AromaticContact CH2-CD2 3.77Å; W310-F318 HydrophobicContact CH2-CD2 3.77Å; W310-F318 HydrophobicContact CH2-CE2 4.17Å; W310-F318 AromaticContact CH2-CG 3.8Å; W310-F318 HydrophobicContact CH2-CG 3.8Å; W310-F318 HydrophobicContact CZ3-CB 3.96Å; W310-F318 HydrophobicContact CZ3-CD1 4.08Å; W310-F318 HydrophobicContact CZ3-CD2 4.3Å; W310-F318 AromaticContact CZ3-CG 3.85Å; W310-F318 HydrophobicContact CZ3-CG 3.85Å
311K95.7Very high96.3Very high113 Ų11333.6 Ų33.649%0.49117%0.172SC..  trans-94.5162.5171.5-62.9-60.9-172.8174.80110.5S313 E314 C315K311-S313 PolarHBondContact O-N 3.2Å; K311-S313 VanDerWaalsContact O-N 3.16Å; K311-E314 PolarHBondContact N-OE2 2.69Å; K311-E314 WeakPolarHBondContact O-CB 3.4Å; K311-E314 PolarHBondContact O-N 3.08Å; K311-C315 PolarHBondContact O-N 2.87Å; K311-C315 VanDerWaalsContact O-N 3.07Å
312A96.3Very high96.4Very high9 Ų933.5 Ų33.57%0.07417%0.171CC..Hα-helixtrans-54.5-36.6179.600000112.3M248 L253 E314 C315 R316 F408M248-A312 HydrophobicContact CG-CB 3.51Å; M248-A312 HydrophobicContact SD-CB 4.25Å; L253-A312 HydrophobicContact CD1-CB 4.08Å; L253-A312 HydrophobicContact CD2-CB 4Å; L253-A312 HydrophobicContact CG-CB 3.74Å; A312-E314 PolarHBondContact O-N 2.92Å; A312-C315 PolarHBondContact O-N 3.19Å; A312-R316 WeakPolarHBondContact O-CB 3.31Å; A312-R316 PolarHBondContact O-N 3.07Å; A312-F408 HydrophobicContact CB-CE1 3.61Å; A312-F408 HydrophobicContact CB-CZ 3.77Å
313S95.5Very high96.4Very high23 Ų2329.4 Ų29.416%0.16116%0.155CC..Hα-helixtrans-65.2-35.2176.456.60000113.7K311 L317K311-S313 PolarHBondContact O-N 3.2Å; K311-S313 VanDerWaalsContact O-N 3.16Å; S313-L317 WeakPolarHBondContact O-CB 3.43Å; S313-L317 PolarHBondContact O-N 2.83Å
314E97Very high96.3Very high2 Ų229.5 Ų29.51%0.00916%0.156CC..Hα-helixtrans-71.8-40.6174.6-69.2167.989.900111.2R299 R302 W310 K311 A312 L317 F318R299-E314 HydrophobicContact CB-CG 3.84Å; R302-E314 IonicContact CZ-OE1 3.42Å; R302-E314 IonicContact CZ-OE2 3.03Å; R302-E314 PolarHBondContact N-OE1 3.27Å; R302-E314 IonicContact NE-OE1 2.7Å; R302-E314 PolarHBondContact NE-OE1 3.26Å; R302-E314 IonicContact NE-OE2 3.01Å; R302-E314 IonicContact NH2-OE1 2.67Å; R302-E314 PolarHBondContact NH2-OE1 2.99Å; R302-E314 IonicContact NH2-OE2 2.7Å; R302-E314 PolarHBondContact NH2-OE2 3.4Å; W310-E314 HydrophobicContact CB-CB 4.44Å; W310-E314 HydrophobicContact CG-CB 4.41Å; K311-E314 PolarHBondContact N-OE2 2.69Å; K311-E314 WeakPolarHBondContact O-CB 3.4Å; K311-E314 PolarHBondContact O-N 3.08Å; A312-E314 PolarHBondContact O-N 2.92Å; E314-L317 PolarHBondContact O-N 3.49Å; E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.04Å
315C97.4Very high96.2Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-61.9-43.1173.9-65.70000111.8Y252 T256 K257 K311 A312 F318 L319Y252-C315 WeakPolarHBondContact O-CB 3.46Å; Y252-C315 PolarHBondContact O-SG 3.19Å; T256-C315 HydrophobicContact CG2-CB 4.24Å; K257-C315 WeakPolarHBondContact CG-SG 3.39Å; K311-C315 PolarHBondContact O-N 2.87Å; K311-C315 VanDerWaalsContact O-N 3.07Å; A312-C315 PolarHBondContact O-N 3.19Å; C315-F318 PolarHBondContact O-N 2.86Å; C315-L319 VanDerWaalsContact O-CB 3.29Å; C315-L319 WeakPolarHBondContact O-CB 3.36Å; C315-L319 PolarHBondContact O-N 2.91Å
316R97.1Very high96.1Very high24 Ų2425.1 Ų25.19%0.09113%0.133CC..Hα-helixtrans-62.5-46.3175.8-175.6176176.1-75.4-0.8111.4Y252 A312 F318 L319 L320 D403Y252-R316 HydrophobicContact CD1-CB 3.93Å; Y252-R316 HydrophobicContact CD1-CG 4.29Å; Y252-R316 HydrophobicContact CD2-CB 3.94Å; Y252-R316 HydrophobicContact CD2-CG 4.32Å; Y252-R316 HydrophobicContact CE1-CB 4.01Å; Y252-R316 HydrophobicContact CE1-CG 3.84Å; Y252-R316 HydrophobicContact CE2-CB 4.07Å; Y252-R316 HydrophobicContact CE2-CG 3.92Å; Y252-R316 HydrophobicContact CG-CB 3.92Å; A312-R316 WeakPolarHBondContact O-CB 3.31Å; A312-R316 PolarHBondContact O-N 3.07Å; R316-F318 VanDerWaalsContact C-N 3.33Å; R316-F318 PolarHBondContact O-N 3.4Å; R316-L319 PolarHBondContact O-N 2.92Å; R316-L320 HydrophobicContact CG-CD1 3.72Å; R316-L320 HydrophobicContact CG-CG 4.29Å; R316-L320 WeakPolarHBondContact O-CB 3.31Å; R316-L320 WeakPolarHBondContact O-CG 3.38Å; R316-L320 PolarHBondContact O-N 3.24Å; R316-D403 IonicContact CZ-OD1 2.65Å; R316-D403 IonicContact CZ-OD2 2.79Å; R316-D403 IonicContact NE-OD1 3.16Å; R316-D403 PolarHBondContact NE-OD1 3.39Å; R316-D403 VanDerWaalsContact NE-OD1 3.08Å; R316-D403 IonicContact NE-OD2 3.54Å; R316-D403 IonicContact NH2-OD1 3.68Å; R316-D403 IonicContact NH2-OD2 3.82Å; R316-D403 PolarHBondContact NH2-OD2 3.04Å
317L96.6Very high96.1Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-58.5-45.6174.7172.760000111.4T293 F297 C301 S313 E314 Y321 L322 M543T293-L317 HydrophobicContact CG2-CD1 4.43Å; T293-L317 HydrophobicContact CG2-CD2 3.91Å; F297-L317 HydrophobicContact CB-CD2 4.47Å; F297-L317 HydrophobicContact CD1-CB 4.09Å; F297-L317 HydrophobicContact CD1-CD1 3.84Å; F297-L317 HydrophobicContact CD1-CD2 4.46Å; F297-L317 HydrophobicContact CD1-CG 4.34Å; F297-L317 HydrophobicContact CD2-CD1 4.16Å; F297-L317 HydrophobicContact CE1-CB 4.25Å; F297-L317 HydrophobicContact CE1-CD1 3.69Å; F297-L317 HydrophobicContact CE2-CD1 4.01Å; F297-L317 HydrophobicContact CG-CD1 4.06Å; F297-L317 HydrophobicContact CG-CD2 4.4Å; F297-L317 HydrophobicContact CZ-CD1 3.77Å; C301-L317 HydrophobicContact CB-CD2 3.99Å; C301-L317 HydrophobicContact CB-CG 4.49Å; S313-L317 WeakPolarHBondContact O-CB 3.43Å; S313-L317 PolarHBondContact O-N 2.83Å; E314-L317 PolarHBondContact O-N 3.49Å; L317-Y321 HydrophobicContact CD1-CD2 4.21Å; L317-Y321 HydrophobicContact CD1-CG 4.44Å; L317-Y321 WeakPolarHBondContact O-CB 3.44Å; L317-Y321 PolarHBondContact O-N 2.74Å; L317-L322 HydrophobicContact CD1-CD1 4.46Å; L317-L322 HydrophobicContact CD1-CG 4.22Å; L317-L322 HydrophobicContact CD2-CD1 4.29Å; L317-L322 HydrophobicContact CG-CD1 3.99Å; L317-L322 HydrophobicContact CG-CG 4.2Å; L317-L322 PolarHBondContact O-N 2.87Å; L317-L322 VanDerWaalsContact O-N 3.15Å; L317-M543 HydrophobicContact CD1-CE 4.48Å; L317-M543 HydrophobicContact CD1-SD 3.95Å
318F97.3Very high95.9Very high0 Ų021.5 Ų21.50%012%0.12CC..Iπ-helixtrans-64.1-49.3178.5-176.1-96.9000112.1T256 V260 W263 I286 L304 W310 E314 C315 R316 G323 I326 L327 F339T256-F318 HydrophobicContact CG2-CD1 4Å; V260-F318 HydrophobicContact CG2-CD1 4.4Å; V260-F318 HydrophobicContact CG2-CE1 3.87Å; V260-F318 HydrophobicContact CG2-CZ 4.35Å; W263-F318 HydrophobicContact CH2-CE1 4.28Å; W263-F318 AromaticContact CZ3-CE1 3.97Å; W263-F318 HydrophobicContact CZ3-CE1 3.97Å; W263-F318 AromaticContact CZ3-CZ 3.97Å; W263-F318 HydrophobicContact CZ3-CZ 3.97Å; I286-F318 HydrophobicContact CD1-CE2 4.12Å; L304-F318 HydrophobicContact CD2-CE2 4.18Å; L304-F318 HydrophobicContact CD2-CZ 4.3Å; W310-F318 HydrophobicContact CH2-CB 4.2Å; W310-F318 HydrophobicContact CH2-CD1 4.25Å; W310-F318 AromaticContact CH2-CD2 3.77Å; W310-F318 HydrophobicContact CH2-CD2 3.77Å; W310-F318 HydrophobicContact CH2-CE2 4.17Å; W310-F318 AromaticContact CH2-CG 3.8Å; W310-F318 HydrophobicContact CH2-CG 3.8Å; W310-F318 HydrophobicContact CZ3-CB 3.96Å; W310-F318 HydrophobicContact CZ3-CD1 4.08Å; W310-F318 HydrophobicContact CZ3-CD2 4.3Å; W310-F318 AromaticContact CZ3-CG 3.85Å; W310-F318 HydrophobicContact CZ3-CG 3.85Å; E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.04Å; C315-F318 PolarHBondContact O-N 2.86Å; R316-F318 VanDerWaalsContact C-N 3.33Å; R316-F318 PolarHBondContact O-N 3.4Å; F318-G323 WeakPolarHBondContact O-CA 3.43Å; F318-G323 PolarHBondContact O-N 3.42Å; F318-I326 HydrophobicContact CE2-CD1 4.15Å; F318-L327 HydrophobicContact CE1-CD1 4.33Å; F318-L327 HydrophobicContact CZ-CD1 3.92Å; F318-L327 HydrophobicContact CZ-CD2 4.33Å; F318-L327 HydrophobicContact CZ-CG 4.4Å; F318-F339 HydrophobicContact CD1-CE2 4.44Å; F318-F339 HydrophobicContact CD1-CZ 4.35Å; F318-F339 AromaticContact CE1-CE2 3.98Å; F318-F339 HydrophobicContact CE1-CE2 3.98Å; F318-F339 AromaticContact CE1-CZ 3.98Å; F318-F339 HydrophobicContact CE1-CZ 3.98Å
319L98Very high95.8Very high0 Ų024 Ų240%013%0.126CC..Iπ-helixtrans-66.6-48.4-175.2-178.364.3000112.4V251 Y252 T256 C315 R316 P324 F339 L342 A343 M346V251-L319 HydrophobicContact CG1-CD2 3.65Å; Y252-L319 HydrophobicContact CD1-CD2 4.13Å; Y252-L319 HydrophobicContact CE1-CD2 4.17Å; T256-L319 HydrophobicContact CG2-CB 4.09Å; C315-L319 VanDerWaalsContact O-CB 3.29Å; C315-L319 WeakPolarHBondContact O-CB 3.36Å; C315-L319 PolarHBondContact O-N 2.91Å; R316-L319 PolarHBondContact O-N 2.92Å; L319-P324 WeakPolarHBondContact O-CD 3.31Å; L319-P324 WeakPolarHBondContact O-CG 3.35Å; L319-F339 HydrophobicContact CD1-CE2 3.72Å; L319-F339 HydrophobicContact CD1-CZ 3.99Å; L319-L342 HydrophobicContact CD1-CD2 4Å; L319-L342 HydrophobicContact CD1-CG 4.1Å; L319-A343 HydrophobicContact CD1-CB 4.02Å; L319-A343 VanDerWaalsContact O-CB 3.32Å; L319-A343 WeakPolarHBondContact O-CB 3.39Å; L319-M346 HydrophobicContact CD2-CB 4.03Å; L319-M346 HydrophobicContact CD2-CG 3.91Å
320L96.9Very high95.8Very high5 Ų522.5 Ų22.53%0.02612%0.115CC..Iπ-helixtrans-87.2-23-169-59.6-174.9000113.6R316 M346 Y347 L557R316-L320 HydrophobicContact CG-CD1 3.72Å; R316-L320 HydrophobicContact CG-CG 4.29Å; R316-L320 WeakPolarHBondContact O-CB 3.31Å; R316-L320 WeakPolarHBondContact O-CG 3.38Å; R316-L320 PolarHBondContact O-N 3.24Å; L320-M346 HydrophobicContact CD2-CB 3.77Å; L320-Y347 HydrophobicContact CB-CD2 4.36Å; L320-L557 HydrophobicContact CD1-CD1 4.16Å
321Y95.9Very high95.8Very high1 Ų122.7 Ų22.70%0.00412%0.116CC..Iπ-helixtrans-126.1-61.1-171.1-55.1-89.2000112.6F297 L317 Y347 I545 V554 P555 L556 L557F297-Y321 HydrophobicContact CE1-CD2 4.02Å; F297-Y321 AromaticContact CE1-CE2 3.81Å; F297-Y321 HydrophobicContact CE1-CE2 3.81Å; F297-Y321 HydrophobicContact CZ-CD1 4.48Å; F297-Y321 AromaticContact CZ-CD2 3.83Å; F297-Y321 HydrophobicContact CZ-CD2 3.83Å; F297-Y321 HydrophobicContact CZ-CE1 4.34Å; F297-Y321 AromaticContact CZ-CE2 3.7Å; F297-Y321 HydrophobicContact CZ-CE2 3.7Å; F297-Y321 HydrophobicContact CZ-CG 4.25Å; F297-Y321 AromaticContact CZ-CZ 3.98Å; L317-Y321 HydrophobicContact CD1-CD2 4.21Å; L317-Y321 HydrophobicContact CD1-CG 4.44Å; L317-Y321 WeakPolarHBondContact O-CB 3.44Å; L317-Y321 PolarHBondContact O-N 2.74Å; Y321-Y347 HydrophobicContact CE1-CE2 4.44Å; Y321-I545 WeakPolarHBondContact O-CD1 3.39Å; Y321-V554 HydrophobicContact CD1-CB 4.16Å; Y321-V554 HydrophobicContact CD1-CG1 3.61Å; Y321-V554 HydrophobicContact CE1-CG1 4.05Å; Y321-P555 WeakPolarHBondContact CE1-O 3.36Å; Y321-L556 HydrophobicContact CD1-CD2 4.41Å; Y321-L556 HydrophobicContact CE1-CD2 3.91Å; Y321-L557 PolarHBondContact OH-N 3.38Å
322L95.6Very high95.9Very high1 Ų118.2 Ų18.21%0.00510%0.098CC..Iπ-helixtrans-74.3-54.8-170.2-62.6-179.6000112.9C289 C301 L317 V325 I326 M543 I545C289-L322 HydrophobicContact CB-CD2 3.69Å; C301-L322 HydrophobicContact CB-CD1 3.63Å; L317-L322 HydrophobicContact CD1-CD1 4.46Å; L317-L322 HydrophobicContact CD1-CG 4.22Å; L317-L322 HydrophobicContact CD2-CD1 4.29Å; L317-L322 HydrophobicContact CG-CD1 3.99Å; L317-L322 HydrophobicContact CG-CG 4.2Å; L317-L322 PolarHBondContact O-N 2.87Å; L317-L322 VanDerWaalsContact O-N 3.15Å; L322-V325 PolarHBondContact O-N 3.21Å; L322-I326 HydrophobicContact CB-CD1 4.25Å; L322-I326 WeakPolarHBondContact O-CG1 3.11Å; L322-I326 PolarHBondContact O-N 2.9Å; L322-M543 HydrophobicContact CD2-CE 3.36Å; L322-M543 HydrophobicContact CD2-SD 4.23Å; L322-M543 HydrophobicContact CG-CE 4.37Å; L322-I545 HydrophobicContact CD2-CD1 4.11Å; L322-I545 HydrophobicContact CD2-CG1 4.37Å
323G95.8Very high95.9Very high0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-52.5-47.5-172.800000113.9F318 V325 L327 F339F318-G323 WeakPolarHBondContact O-CA 3.43Å; F318-G323 PolarHBondContact O-N 3.42Å; G323-V325 PolarHBondContact O-N 2.89Å; G323-L327 VanDerWaalsContact O-CB 3.22Å; G323-L327 WeakPolarHBondContact O-CB 3.5Å; G323-L327 WeakPolarHBondContact O-CG 3.43Å; G323-L327 PolarHBondContact O-N 2.95Å; G323-L327 VanDerWaalsContact O-N 3.13Å; G323-F339 VanDerWaalsContact C-CE1 3.47Å
324P94.9Very high95.9Very high23 Ų2326.1 Ų26.115%0.14914%0.136CC..Hα-helixtrans-60-18.9179.1-2938.6000114.5L319 Y336 F339 A343 Y508L319-P324 WeakPolarHBondContact O-CD 3.31Å; L319-P324 WeakPolarHBondContact O-CG 3.35Å; P324-Y336 PolarHBondContact O-OH 3.28Å; P324-F339 HydrophobicContact CG-CE1 4.25Å; P324-A343 HydrophobicContact CG-CB 3.57Å; P324-Y508 PolarHBondContact O-OH 2.67Å
325V94.6Very high96Very high8 Ų826.1 Ų26.15%0.04814%0.136CC..Hα-helixtrans-102.3-54.1179.6-1750000110.8L322 G323 L327 Q328 Y508 I545 C547 V552L322-V325 PolarHBondContact O-N 3.21Å; G323-V325 PolarHBondContact O-N 2.89Å; V325-L327 VanDerWaalsContact C-N 3.3Å; V325-L327 PolarHBondContact O-N 3.34Å; V325-Q328 PolarHBondContact O-N 3.47Å; V325-Y508 WeakPolarHBondContact CA-OH 3.17Å; V325-Y508 HydrophobicContact CG2-CE1 4.27Å; V325-I545 HydrophobicContact CB-CD1 4.29Å; V325-I545 HydrophobicContact CB-CG2 4.06Å; V325-I545 HydrophobicContact CG1-CB 4.26Å; V325-I545 HydrophobicContact CG1-CG2 3.72Å; V325-I545 HydrophobicContact CG2-CD1 3.94Å; V325-C547 HydrophobicContact CG1-CB 4.04Å; V325-V552 HydrophobicContact CG1-CB 4.03Å; V325-V552 HydrophobicContact CG1-CG2 3.74Å; V325-V552 HydrophobicContact CG2-CB 4.04Å; V325-V552 HydrophobicContact CG2-CG1 3.79Å; V325-V552 HydrophobicContact CG2-CG2 4.36Å
326I94.3Very high96Very high1 Ų127.1 Ų27.11%0.00514%0.14CC..Hα-helixtrans-75.1-18.7-170.373.8177.7000113.6I282 L285 I286 F318 L322 I330 I545I282-I326 HydrophobicContact CG2-CD1 4.45Å; L285-I326 HydrophobicContact CB-CB 4.12Å; L285-I326 HydrophobicContact CB-CG2 4.4Å; L285-I326 HydrophobicContact CD1-CB 4.23Å; L285-I326 WeakPolarHBondContact CD1-O 3.34Å; I286-I326 HydrophobicContact CD1-CD1 4.35Å; I286-I326 HydrophobicContact CG1-CD1 3.43Å; I286-I326 VanDerWaalsContact CG1-CD1 3.43Å; F318-I326 HydrophobicContact CE2-CD1 4.15Å; L322-I326 HydrophobicContact CB-CD1 4.25Å; L322-I326 WeakPolarHBondContact O-CG1 3.11Å; L322-I326 PolarHBondContact O-N 2.9Å; I326-I330 VanDerWaalsContact O-CD1 3.28Å; I326-I330 WeakPolarHBondContact O-CD1 3.13Å; I326-I545 HydrophobicContact CG2-CG2 4.25Å
327L95.7Very high96Very high0 Ų030.5 Ų30.50%016%0.159CC..THydrogen-bonded Turntrans-88.6-15.1179.8-59.3176.2000112.6W263 I282 F318 G323 V325 N329 I330 L331 Y336 F339W263-L327 HydrophobicContact CH2-CD1 3.65Å; W263-L327 HydrophobicContact CZ3-CD1 3.83Å; I282-L327 HydrophobicContact CD1-CD2 3.7Å; I282-L327 HydrophobicContact CG1-CD2 3.86Å; I282-L327 HydrophobicContact CG2-CD2 3.83Å; F318-L327 HydrophobicContact CE1-CD1 4.33Å; F318-L327 HydrophobicContact CZ-CD1 3.92Å; F318-L327 HydrophobicContact CZ-CD2 4.33Å; F318-L327 HydrophobicContact CZ-CG 4.4Å; G323-L327 VanDerWaalsContact O-CB 3.22Å; G323-L327 WeakPolarHBondContact O-CB 3.5Å; G323-L327 WeakPolarHBondContact O-CG 3.43Å; G323-L327 PolarHBondContact O-N 2.95Å; G323-L327 VanDerWaalsContact O-N 3.13Å; V325-L327 VanDerWaalsContact C-N 3.3Å; V325-L327 PolarHBondContact O-N 3.34Å; L327-N329 PolarHBondContact O-N 3.46Å; L327-I330 PolarHBondContact O-N 2.85Å; L327-L331 HydrophobicContact CB-CB 4.15Å; L327-L331 HydrophobicContact CD1-CD2 4.4Å; L327-L331 PolarHBondContact O-N 3.08Å; L327-Y336 HydrophobicContact CB-CD2 3.77Å; L327-Y336 HydrophobicContact CB-CE2 3.94Å; L327-F339 HydrophobicContact CD1-CD1 3.69Å; L327-F339 HydrophobicContact CD1-CE1 3.66Å; L327-F339 HydrophobicContact CD1-CE2 4.44Å; L327-F339 HydrophobicContact CD1-CG 4.14Å; L327-F339 HydrophobicContact CD1-CZ 4.04Å
328Q93.7Very high96Very high67 Ų6730.7 Ų30.731%0.31316%0.16SC..THydrogen-bonded Turntrans-61.1129.5-178.2-166.1176.936.300110.3V325 I330 Y336 Y508V325-Q328 PolarHBondContact O-N 3.47Å; Q328-I330 PolarHBondContact O-N 2.97Å; Q328-Y336 HydrophobicContact CB-CE1 4.22Å; Q328-Y336 HydrophobicContact CB-CE2 4.09Å; Q328-Y336 WeakPolarHBondContact CB-OH 3.41Å; Q328-Y336 HydrophobicContact CG-CE1 3.91Å; Q328-Y508 PolarHBondContact OE1-OH 2.96Å
329N92.4Very high96.1Very high151 Ų15130.7 Ų30.781%0.80716%0.16SC*.THydrogen-bonded Turntrans62.316-176.6-49.2-39.9000115L327L327-N329 PolarHBondContact O-N 3.46Å
330I95.2Very high96Very high43 Ų4333.1 Ų33.122%0.22117%0.17CC..THydrogen-bonded Turntrans-125-49.8179.5-59.4178.6000111V278 T281 I282 L285 I326 L327 Q328V278-I330 HydrophobicContact CG1-CG2 4.22Å; V278-I330 WeakPolarHBondContact CG1-O 3.24Å; T281-I330 HydrophobicContact CG2-CD1 3.94Å; T281-I330 HydrophobicContact CG2-CG2 4.09Å; I282-I330 HydrophobicContact CD1-CG2 4.37Å; I282-I330 HydrophobicContact CG1-CG2 3.68Å; L285-I330 HydrophobicContact CD1-CD1 3.11Å; L285-I330 HydrophobicContact CG-CD1 4.43Å; I326-I330 VanDerWaalsContact O-CD1 3.28Å; I326-I330 WeakPolarHBondContact O-CD1 3.13Å; L327-I330 PolarHBondContact O-N 2.85Å; Q328-I330 PolarHBondContact O-N 2.97Å
331L96.2Very high96.1Very high6 Ų634.4 Ų34.43%0.03118%0.179CC..SBendtrans-72.4137.2171.3-168.772.4000108.5W263 M274 L327 E333 L335W263-L331 HydrophobicContact CD2-CD1 4Å; W263-L331 HydrophobicContact CD2-CD2 4.3Å; W263-L331 HydrophobicContact CE3-CD1 4.37Å; W263-L331 HydrophobicContact CG-CD1 4.12Å; W263-L331 HydrophobicContact CH2-CD2 4.09Å; W263-L331 HydrophobicContact CZ2-CD2 3.68Å; M274-L331 HydrophobicContact CE-CD1 4.08Å; M274-L331 HydrophobicContact SD-CD1 3.61Å; L327-L331 HydrophobicContact CB-CB 4.15Å; L327-L331 HydrophobicContact CD1-CD2 4.4Å; L327-L331 PolarHBondContact O-N 3.08Å; L331-E333 PolarHBondContact O-N 3.46Å; L331-L335 HydrophobicContact CD1-CB 4.42Å; L331-L335 HydrophobicContact CD1-CD1 4.39Å; L331-L335 HydrophobicContact CD2-CB 3.76Å; L331-L335 HydrophobicContact CG-CB 3.83Å
332P96.9Very high96.2Very high18 Ų1834.3 Ų34.312%0.11718%0.179CC..  trans-49.2134.9176-3036.3000111.7K272 N273 M274 L335 Y336K272-P332 WeakPolarHBondContact O-CB 3.46Å; K272-P332 VanDerWaalsContact O-CG 3.26Å; K272-P332 WeakPolarHBondContact O-CG 3.11Å; N273-P332 HydrophobicContact CB-CB 4.28Å; N273-P332 HydrophobicContact CB-CG 4.02Å; M274-P332 HydrophobicContact CG-CG 4.03Å; M274-P332 WeakPolarHBondContact SD-CD 3.41Å; M274-P332 HydrophobicContact SD-CG 3.68Å; P332-L335 HydrophobicContact CB-CD1 4.26Å; P332-L335 HydrophobicContact CB-CG 4.34Å; P332-L335 HydrophobicContact CG-CD1 4.23Å; P332-L335 WeakPolarHBondContact O-CA 3.49Å; P332-L335 WeakPolarHBondContact O-CB 3.47Å; P332-L335 PolarHBondContact O-N 2.86Å; P332-Y336 PolarHBondContact O-N 3.04Å
333E96.6Very high96.3Very high145 Ų14534.4 Ų34.468%0.67818%0.18SC*.Hα-helixtrans-50.3-47.2-165.1175.6174.8-147.500114.6L331 L335 Y336 I337L331-E333 PolarHBondContact O-N 3.46Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.3Å; E333-Y336 PolarHBondContact O-N 3.46Å; E333-Y336 VanDerWaalsContact O-N 3.13Å; E333-I337 HydrophobicContact CG-CD1 3.76Å; E333-I337 HydrophobicContact CG-CG1 4.33Å; E333-I337 WeakPolarHBondContact O-CG1 3.29Å; E333-I337 PolarHBondContact O-N 3.15Å
334P96.9Very high96.3Very high54 Ų5435.4 Ų35.435%0.35119%0.185SC..Hα-helixtrans-61.4-38.4177.6-24.434.8000113.6Y336 N338 W375P334-Y336 VanDerWaalsContact C-N 3.34Å; P334-N338 WeakPolarHBondContact O-CB 3.31Å; P334-N338 PolarHBondContact O-N 3.47Å; P334-N338 VanDerWaalsContact O-N 3.08Å; P334-W375 HydrophobicContact CB-CE3 4.44Å; P334-W375 HydrophobicContact CB-CH2 4.09Å; P334-W375 HydrophobicContact CB-CZ3 3.48Å; P334-W375 VanDerWaalsContact CB-CZ3 3.48Å; P334-W375 HydrophobicContact CG-CH2 4.09Å; P334-W375 HydrophobicContact CG-CZ3 3.99Å
335L98Very high96.5Very high2 Ų234.3 Ų34.31%0.0118%0.178CC..Hα-helixtrans-69.1-36.9177.7-54.1-176.1000110.8L266 M274 L331 P332 E333 F339 C376 Y377L266-L335 HydrophobicContact CD1-CD1 4.12Å; M274-L335 HydrophobicContact CG-CD1 3.77Å; M274-L335 HydrophobicContact SD-CD1 4.09Å; L331-L335 HydrophobicContact CD1-CB 4.42Å; L331-L335 HydrophobicContact CD1-CD1 4.39Å; L331-L335 HydrophobicContact CD2-CB 3.76Å; L331-L335 HydrophobicContact CG-CB 3.83Å; P332-L335 HydrophobicContact CB-CD1 4.26Å; P332-L335 HydrophobicContact CB-CG 4.34Å; P332-L335 HydrophobicContact CG-CD1 4.23Å; P332-L335 WeakPolarHBondContact O-CA 3.49Å; P332-L335 WeakPolarHBondContact O-CB 3.47Å; P332-L335 PolarHBondContact O-N 2.86Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.3Å; L335-F339 WeakPolarHBondContact O-CB 3.43Å; L335-F339 PolarHBondContact O-N 2.87Å; L335-C376 HydrophobicContact CD2-CB 3.76Å; L335-Y377 HydrophobicContact CD2-CE1 3.77Å
336Y97.5Very high96.6Very high20 Ų2034 Ų348%0.07818%0.176CC..Hα-helixtrans-68.9-44176.3-179.7-109.9000112.4P324 L327 Q328 P332 E333 P334 N338 F339 K340P324-Y336 PolarHBondContact O-OH 3.28Å; L327-Y336 HydrophobicContact CB-CD2 3.77Å; L327-Y336 HydrophobicContact CB-CE2 3.94Å; Q328-Y336 HydrophobicContact CB-CE1 4.22Å; Q328-Y336 HydrophobicContact CB-CE2 4.09Å; Q328-Y336 WeakPolarHBondContact CB-OH 3.41Å; Q328-Y336 HydrophobicContact CG-CE1 3.91Å; P332-Y336 PolarHBondContact O-N 3.04Å; E333-Y336 PolarHBondContact O-N 3.46Å; E333-Y336 VanDerWaalsContact O-N 3.13Å; P334-Y336 VanDerWaalsContact C-N 3.34Å; Y336-N338 VanDerWaalsContact C-N 3.34Å; Y336-N338 PolarHBondContact O-N 3.36Å; Y336-F339 PolarHBondContact O-N 3.25Å; Y336-K340 HydrophobicContact CE1-CD 4.39Å; Y336-K340 VanDerWaalsContact O-CB 3.24Å; Y336-K340 WeakPolarHBondContact O-CB 3.2Å; Y336-K340 PolarHBondContact O-N 2.66Å
337I96.7Very high96.8Very high96 Ų9634.1 Ų34.149%0.49218%0.176SC..Hα-helixtrans-59.9-47.1176.4-69.6169.5000110E333 F339 K340 C341E333-I337 HydrophobicContact CG-CD1 3.76Å; E333-I337 HydrophobicContact CG-CG1 4.33Å; E333-I337 WeakPolarHBondContact O-CG1 3.29Å; E333-I337 PolarHBondContact O-N 3.15Å; I337-F339 PolarHBondContact O-N 2.97Å; I337-K340 PolarHBondContact O-N 2.94Å; I337-C341 WeakPolarHBondContact O-CB 3.45Å; I337-C341 PolarHBondContact O-N 3.04Å
338N97.9Very high96.9Very high3 Ų334.2 Ų34.22%0.01618%0.177CC..Hα-helixtrans-60.3-47.2176.3-177.2-102.5000111.8P334 Y336 C341 L342 F369 E372 Y373 Y377P334-N338 WeakPolarHBondContact O-CB 3.31Å; P334-N338 PolarHBondContact O-N 3.47Å; P334-N338 VanDerWaalsContact O-N 3.08Å; Y336-N338 VanDerWaalsContact C-N 3.34Å; Y336-N338 PolarHBondContact O-N 3.36Å; N338-C341 PolarHBondContact O-N 3.44Å; N338-L342 PolarHBondContact O-N 3.37Å; N338-F369 VanDerWaalsContact ND2-CD2 3.28Å; N338-F369 WeakPolarHBondContact ND2-CD2 3.44Å; N338-F369 PolarHBondContact ND2-O 3.09Å; N338-F369 WeakPolarHBondContact O-CD2 3.36Å; N338-F369 WeakPolarHBondContact O-CE2 3.48Å; N338-F369 WeakPolarHBondContact OD1-CE2 3.45Å; N338-E372 WeakPolarHBondContact ND2-CB 3.32Å; N338-Y373 PolarHBondContact ND2-N 2.93Å; N338-Y377 WeakPolarHBondContact OD1-CE2 3.37Å
339F98.2Very high97Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-62.8-43.3176.5175.9-94.5000113L259 W263 F318 L319 G323 P324 L327 L335 Y336 I337 C341 L342 A343L259-F339 HydrophobicContact CD1-CD2 4.22Å; W263-F339 HydrophobicContact CH2-CB 4.31Å; W263-F339 AromaticContact CH2-CD2 3.42Å; W263-F339 HydrophobicContact CH2-CD2 3.42Å; W263-F339 VanDerWaalsContact CH2-CD2 3.42Å; W263-F339 AromaticContact CH2-CE2 3.85Å; W263-F339 HydrophobicContact CH2-CE2 3.85Å; W263-F339 AromaticContact CH2-CG 3.86Å; W263-F339 HydrophobicContact CH2-CG 3.86Å; W263-F339 HydrophobicContact CZ2-CB 3.97Å; W263-F339 AromaticContact CZ2-CD2 3.72Å; W263-F339 HydrophobicContact CZ2-CD2 3.72Å; W263-F339 HydrophobicContact CZ2-CG 4.01Å; F318-F339 HydrophobicContact CD1-CE2 4.44Å; F318-F339 HydrophobicContact CD1-CZ 4.35Å; F318-F339 AromaticContact CE1-CE2 3.98Å; F318-F339 HydrophobicContact CE1-CE2 3.98Å; F318-F339 AromaticContact CE1-CZ 3.98Å; F318-F339 HydrophobicContact CE1-CZ 3.98Å; L319-F339 HydrophobicContact CD1-CE2 3.72Å; L319-F339 HydrophobicContact CD1-CZ 3.99Å; G323-F339 VanDerWaalsContact C-CE1 3.47Å; P324-F339 HydrophobicContact CG-CE1 4.25Å; L327-F339 HydrophobicContact CD1-CD1 3.69Å; L327-F339 HydrophobicContact CD1-CE1 3.66Å; L327-F339 HydrophobicContact CD1-CE2 4.44Å; L327-F339 HydrophobicContact CD1-CG 4.14Å; L327-F339 HydrophobicContact CD1-CZ 4.04Å; L335-F339 WeakPolarHBondContact O-CB 3.43Å; L335-F339 PolarHBondContact O-N 2.87Å; Y336-F339 PolarHBondContact O-N 3.25Å; I337-F339 PolarHBondContact O-N 2.97Å; F339-C341 VanDerWaalsContact C-N 3.3Å; F339-C341 PolarHBondContact O-N 2.94Å; F339-L342 PolarHBondContact O-N 2.91Å; F339-A343 HydrophobicContact CD1-CB 4.48Å; F339-A343 HydrophobicContact CE1-CB 4.01Å; F339-A343 HydrophobicContact CZ-CB 4.25Å; F339-A343 WeakPolarHBondContact O-CB 3.37Å; F339-A343 PolarHBondContact O-N 3.42Å
340K97.1Very high97.3Very high51 Ų5124 Ų2422%0.22213%0.125CC..Hα-helixtrans-59.9-42.4179-175.5-168.5171.9-154.60110.5Y336 I337 A343 L344 D511Y336-K340 HydrophobicContact CE1-CD 4.39Å; Y336-K340 VanDerWaalsContact O-CB 3.24Å; Y336-K340 WeakPolarHBondContact O-CB 3.2Å; Y336-K340 PolarHBondContact O-N 2.66Å; I337-K340 PolarHBondContact O-N 2.94Å; K340-A343 PolarHBondContact O-N 2.83Å; K340-L344 WeakPolarHBondContact O-CB 3.18Å; K340-L344 PolarHBondContact O-N 2.77Å; K340-D511 PolarHBondContact NZ-O 2.74Å
341C97.4Very high97.3Very high32 Ų3222.1 Ų22.122%0.21612%0.115CC..Hα-helixtrans-57.6-49.5175.6-179.20000111.2I337 N338 F339 S345 D365I337-C341 WeakPolarHBondContact O-CB 3.45Å; I337-C341 PolarHBondContact O-N 3.04Å; N338-C341 PolarHBondContact O-N 3.44Å; F339-C341 VanDerWaalsContact C-N 3.3Å; F339-C341 PolarHBondContact O-N 2.94Å; C341-S345 VanDerWaalsContact O-CB 3.27Å; C341-S345 WeakPolarHBondContact O-CB 3.37Å; C341-S345 PolarHBondContact O-N 3Å; C341-S345 PolarHBondContact O-OG 3.3Å; C341-D365 PolarHBondContact SG-O 2.98Å; C341-D365 VanDerWaalsContact SG-O 3.36Å
342L98.2Very high97.1Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-61.1-49175.8177.566.5000112V255 L259 L319 N338 F339 L344 S345 M346 L366 F369 L389V255-L342 HydrophobicContact CG1-CD2 3.59Å; L259-L342 HydrophobicContact CD1-CD2 3.51Å; L319-L342 HydrophobicContact CD1-CD2 4Å; L319-L342 HydrophobicContact CD1-CG 4.1Å; N338-L342 PolarHBondContact O-N 3.37Å; F339-L342 PolarHBondContact O-N 2.91Å; L342-L344 PolarHBondContact O-N 3.46Å; L342-S345 PolarHBondContact O-N 3.07Å; L342-M346 HydrophobicContact CD1-CE 4.26Å; L342-M346 HydrophobicContact CD1-CG 3.87Å; L342-M346 HydrophobicContact CD1-SD 4.47Å; L342-M346 HydrophobicContact CG-CG 4.29Å; L342-M346 WeakPolarHBondContact O-CB 3.5Å; L342-M346 VanDerWaalsContact O-CG 3.27Å; L342-M346 WeakPolarHBondContact O-CG 3.32Å; L342-M346 PolarHBondContact O-N 3.02Å; L342-L366 HydrophobicContact CD1-CD2 4.42Å; L342-F369 HydrophobicContact CB-CD2 3.82Å; L342-F369 HydrophobicContact CB-CE2 3.54Å; L342-F369 HydrophobicContact CB-CZ 4.08Å; L342-F369 HydrophobicContact CD1-CE1 4.49Å; L342-F369 HydrophobicContact CD1-CZ 4.38Å; L342-F369 HydrophobicContact CD2-CE2 4.25Å; L342-F369 HydrophobicContact CD2-CZ 4.03Å; L342-F369 HydrophobicContact CG-CE2 4.34Å; L342-F369 HydrophobicContact CG-CZ 4.39Å; L342-L389 HydrophobicContact CD1-CD1 3.81Å; L342-L389 HydrophobicContact CD1-CD2 4.02Å
343A98Very high96.8Very high2 Ų227.3 Ų27.32%0.01714%0.142CC..Hα-helixtrans-62-44.7-175.600000112.1L319 P324 F339 K340 M346 Y347L319-A343 HydrophobicContact CD1-CB 4.02Å; L319-A343 VanDerWaalsContact O-CB 3.32Å; L319-A343 WeakPolarHBondContact O-CB 3.39Å; P324-A343 HydrophobicContact CG-CB 3.57Å; F339-A343 HydrophobicContact CD1-CB 4.48Å; F339-A343 HydrophobicContact CE1-CB 4.01Å; F339-A343 HydrophobicContact CZ-CB 4.25Å; F339-A343 WeakPolarHBondContact O-CB 3.37Å; F339-A343 PolarHBondContact O-N 3.42Å; K340-A343 PolarHBondContact O-N 2.83Å; A343-M346 PolarHBondContact O-N 3.36Å; A343-Y347 WeakPolarHBondContact O-CB 3.23Å; A343-Y347 PolarHBondContact O-N 3.28Å
344L97Very high96.5Very high21 Ų2122.4 Ų22.411%0.1112%0.118CC..Hα-helixtrans-66.1-44.3176.4-177.561.4000111.5K340 L342 M346 Y347 L348 F509 P512 I518K340-L344 WeakPolarHBondContact O-CB 3.18Å; K340-L344 PolarHBondContact O-N 2.77Å; L342-L344 PolarHBondContact O-N 3.46Å; L344-M346 VanDerWaalsContact C-N 3.33Å; L344-M346 PolarHBondContact O-N 3.29Å; L344-Y347 PolarHBondContact O-N 3.44Å; L344-L348 HydrophobicContact CD1-CD1 4.07Å; L344-L348 HydrophobicContact CD1-CG 4.12Å; L344-L348 HydrophobicContact CG-CD1 3.89Å; L344-L348 HydrophobicContact CG-CG 4.38Å; L344-L348 WeakPolarHBondContact O-CB 3.34Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 2.79Å; L344-F509 HydrophobicContact CD1-CE2 4.28Å; L344-F509 HydrophobicContact CD1-CZ 3.71Å; L344-F509 HydrophobicContact CD2-CE2 4.3Å; L344-F509 HydrophobicContact CD2-CZ 4.43Å; L344-P512 HydrophobicContact CD2-CG 3.89Å; L344-I518 HydrophobicContact CD1-CD1 4.21Å
345S97.6Very high96.4Very high1 Ų122.3 Ų22.31%0.00711%0.111CC..Hα-helixtrans-55.1-48.9175.8-64.40000111.5C341 L342 L348 L349C341-S345 VanDerWaalsContact O-CB 3.27Å; C341-S345 WeakPolarHBondContact O-CB 3.37Å; C341-S345 PolarHBondContact O-N 3Å; C341-S345 PolarHBondContact O-OG 3.3Å; L342-S345 PolarHBondContact O-N 3.07Å; S345-L348 PolarHBondContact O-N 3.39Å; S345-L349 VanDerWaalsContact O-CG 3.32Å; S345-L349 WeakPolarHBondContact O-CG 3.33Å; S345-L349 PolarHBondContact O-N 2.67Å
346M98.2Very high96.1Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-70-35.5-179.7-64.2-58.8104.200112.4V251 L319 L320 L342 A343 L344 L348 L349 A350 L366 L389 L392 L402V251-M346 HydrophobicContact CB-SD 4.42Å; V251-M346 HydrophobicContact CG1-CG 3.78Å; V251-M346 HydrophobicContact CG1-SD 3.66Å; V251-M346 HydrophobicContact CG2-SD 3.85Å; L319-M346 HydrophobicContact CD2-CB 4.03Å; L319-M346 HydrophobicContact CD2-CG 3.91Å; L320-M346 HydrophobicContact CD2-CB 3.77Å; L342-M346 HydrophobicContact CD1-CE 4.26Å; L342-M346 HydrophobicContact CD1-CG 3.87Å; L342-M346 HydrophobicContact CD1-SD 4.47Å; L342-M346 HydrophobicContact CG-CG 4.29Å; L342-M346 WeakPolarHBondContact O-CB 3.5Å; L342-M346 VanDerWaalsContact O-CG 3.27Å; L342-M346 WeakPolarHBondContact O-CG 3.32Å; L342-M346 PolarHBondContact O-N 3.02Å; A343-M346 PolarHBondContact O-N 3.36Å; L344-M346 VanDerWaalsContact C-N 3.33Å; L344-M346 PolarHBondContact O-N 3.29Å; M346-L348 VanDerWaalsContact C-N 3.35Å; M346-L349 HydrophobicContact CE-CD1 3.87Å; M346-A350 WeakPolarHBondContact O-CB 3.4Å; M346-A350 PolarHBondContact O-N 3.49Å; M346-L366 HydrophobicContact CE-CD1 3.92Å; M346-L366 HydrophobicContact CE-CD2 3.74Å; M346-L366 HydrophobicContact CE-CG 4.44Å; M346-L389 HydrophobicContact CE-CD2 4.34Å; M346-L389 HydrophobicContact SD-CD2 4.39Å; M346-L392 HydrophobicContact CE-CD1 3.72Å; M346-L392 HydrophobicContact SD-CD1 3.7Å; M346-L402 HydrophobicContact CB-CD1 4.24Å; M346-L402 WeakPolarHBondContact O-CD1 3.47Å; M346-L402 HydrophobicContact SD-CD1 3.79Å
347Y97.5Very high95.8Very high5 Ų534.6 Ų34.62%0.0216%0.164CC..Hα-helixtrans-62.5-44.3174.6-172.9-84.5000111L320 Y321 A343 L344 A350 H351 I518 I520 V554 P555 L557L320-Y347 HydrophobicContact CB-CD2 4.36Å; Y321-Y347 HydrophobicContact CE1-CE2 4.44Å; A343-Y347 WeakPolarHBondContact O-CB 3.23Å; A343-Y347 PolarHBondContact O-N 3.28Å; L344-Y347 PolarHBondContact O-N 3.44Å; Y347-A350 PolarHBondContact O-N 3.49Å; Y347-H351 PolarHBondContact O-N 2.99Å; Y347-I518 HydrophobicContact CD1-CD1 4.03Å; Y347-I518 HydrophobicContact CE1-CD1 3.9Å; Y347-I520 HydrophobicContact CE1-CD1 4.13Å; Y347-V554 HydrophobicContact CE2-CG1 3.8Å; Y347-P555 WeakPolarHBondContact OH-CD 3.44Å; Y347-P555 PolarHBondContact OH-O 2.85Å; Y347-L557 HydrophobicContact CD1-CD2 4.33Å; Y347-L557 HydrophobicContact CD2-CD1 4.13Å; Y347-L557 HydrophobicContact CD2-CD2 4.36Å; Y347-L557 HydrophobicContact CD2-CG 4.39Å; Y347-L557 HydrophobicContact CE1-CD2 3.78Å; Y347-L557 HydrophobicContact CE2-CD1 4.21Å; Y347-L557 HydrophobicContact CE2-CD2 3.81Å; Y347-L557 HydrophobicContact CE2-CG 3.96Å; Y347-L557 VanDerWaalsContact CZ-CD2 3.5Å
348L96.9Very high95.6Very high2 Ų231 Ų311%0.0115%0.146CC..Hα-helixtrans-66.8-45.3179.4-73.6172.2000112.8L344 S345 M346 A350 H351 Y355 V358 V362 F513 I518L344-L348 HydrophobicContact CD1-CD1 4.07Å; L344-L348 HydrophobicContact CD1-CG 4.12Å; L344-L348 HydrophobicContact CG-CD1 3.89Å; L344-L348 HydrophobicContact CG-CG 4.38Å; L344-L348 WeakPolarHBondContact O-CB 3.34Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 2.79Å; S345-L348 PolarHBondContact O-N 3.39Å; M346-L348 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 2.86Å; L348-H351 WeakPolarHBondContact O-CB 3.19Å; L348-H351 PolarHBondContact O-N 2.93Å; L348-H351 VanDerWaalsContact O-N 3.1Å; L348-Y355 WeakPolarHBondContact O-CA 3.47Å; L348-V358 HydrophobicContact CB-CG2 3.77Å; L348-V358 HydrophobicContact CD1-CG2 4.47Å; L348-V358 HydrophobicContact CD2-CG2 4.36Å; L348-V358 HydrophobicContact CG-CG2 4.41Å; L348-V362 HydrophobicContact CB-CG2 4.1Å; L348-V362 HydrophobicContact CD1-CG2 4.06Å; L348-F513 HydrophobicContact CD1-CE1 3.92Å; L348-F513 HydrophobicContact CD1-CZ 3.92Å; L348-F513 HydrophobicContact CD2-CE1 4.32Å; L348-F513 HydrophobicContact CD2-CZ 3.63Å; L348-F513 HydrophobicContact CG-CZ 4.34Å; L348-I518 HydrophobicContact CD2-CD1 4.39Å; L348-I518 HydrophobicContact CD2-CG2 4.03Å
349L97.4Very high95.4Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-67.2-23.6175.6-67.5178.7000113S345 M346 V362 L366 L392 V396 P401 L402S345-L349 VanDerWaalsContact O-CG 3.32Å; S345-L349 WeakPolarHBondContact O-CG 3.33Å; S345-L349 PolarHBondContact O-N 2.67Å; M346-L349 HydrophobicContact CE-CD1 3.87Å; L349-V362 HydrophobicContact CD1-CG1 3.72Å; L349-V362 HydrophobicContact CD2-CB 4.21Å; L349-V362 HydrophobicContact CD2-CG1 4Å; L349-V362 HydrophobicContact CG-CB 4.43Å; L349-V362 HydrophobicContact CG-CG1 3.76Å; L349-L366 HydrophobicContact CD1-CD1 4.25Å; L349-L392 HydrophobicContact CD1-CB 4.17Å; L349-V396 HydrophobicContact CB-CG2 4.1Å; L349-V396 HydrophobicContact CD1-CG2 4.42Å; L349-V396 HydrophobicContact CD2-CB 4.25Å; L349-V396 HydrophobicContact CD2-CG1 3.95Å; L349-V396 HydrophobicContact CD2-CG2 4.15Å; L349-V396 HydrophobicContact CG-CG2 4.44Å; L349-P401 CarbonylContact O-C 3.47Å; L349-P401 WeakPolarHBondContact O-CA 3.4Å; L349-L402 HydrophobicContact CB-CD1 3.92Å; L349-L402 HydrophobicContact CB-CD2 4.12Å; L349-L402 HydrophobicContact CB-CG 3.75Å; L349-L402 PolarHBondContact O-N 2.74Å
350A97.1Very high95.2Very high3 Ų335.9 Ų35.93%0.02517%0.169CC..THydrogen-bonded Turntrans-87.6-8.3173.600000113.2M346 Y347 L348 L402 L557M346-A350 WeakPolarHBondContact O-CB 3.4Å; M346-A350 PolarHBondContact O-N 3.49Å; Y347-A350 PolarHBondContact O-N 3.49Å; L348-A350 PolarHBondContact O-N 2.86Å; A350-L402 HydrophobicContact CB-CB 4.12Å; A350-L402 HydrophobicContact CB-CD1 4.23Å; A350-L402 HydrophobicContact CB-CG 4.38Å; A350-L557 HydrophobicContact CB-CD1 3.53Å
351H95.9Very high95Very high4 Ų436.7 Ų36.72%0.01918%0.181CC..  trans-76.1124.9-174.8-167.9-49.4000111Y347 L348 Q353 F354 Y355 L557Y347-H351 PolarHBondContact O-N 2.99Å; L348-H351 WeakPolarHBondContact O-CB 3.19Å; L348-H351 PolarHBondContact O-N 2.93Å; L348-H351 VanDerWaalsContact O-N 3.1Å; H351-Q353 VanDerWaalsContact C-N 3.31Å; H351-Q353 PolarHBondContact ND1-N 3.43Å; H351-Q353 PolarHBondContact O-N 3.35Å; H351-Q353 VanDerWaalsContact O-N 3.17Å; H351-F354 HydrophobicContact CB-CB 4.12Å; H351-F354 AromaticContact CD2-CD2 3.79Å; H351-F354 AromaticContact CE1-CD2 3.43Å; H351-F354 VanDerWaalsContact CE1-CD2 3.43Å; H351-F354 WeakPolarHBondContact CE1-CD2 3.14Å; H351-F354 AromaticContact CE1-CE2 3.98Å; H351-F354 AromaticContact CG-CD2 3.86Å; H351-F354 AromaticContact ND1-CD2 3.63Å; H351-F354 AromaticContact NE2-CD2 3.52Å; H351-F354 AromaticContact NE2-CE2 3.93Å; H351-F354 PolarHBondContact O-N 3.42Å; H351-Y355 WeakPolarHBondContact O-CB 3.41Å; H351-Y355 VanDerWaalsContact O-CD1 3.31Å; H351-Y355 WeakPolarHBondContact O-CD1 3.41Å; H351-Y355 PolarHBondContact O-N 2.76Å; H351-L557 HydrophobicContact CB-CD2 4.19Å
352P92.5Very high95Very high44 Ų4435.1 Ų35.129%0.28617%0.171SC..THydrogen-bonded Turntrans-60-32.1-172.920.5-33.3000115.2Y355 V560P352-Y355 WeakPolarHBondContact O-CD1 3.46Å; P352-Y355 VanDerWaalsContact O-CE1 3.31Å; P352-Y355 WeakPolarHBondContact O-CE1 3.24Å; P352-V560 HydrophobicContact CG-CB 3.87Å; P352-V560 HydrophobicContact CG-CG1 4.12Å
353Q90.5Very high94.9Very high89 Ų8936.3 Ų36.342%0.41618%0.175SC..THydrogen-bonded Turntrans-101-31.4178.8-61.4-171.3-1900116H351 N356 M561H351-Q353 VanDerWaalsContact C-N 3.31Å; H351-Q353 PolarHBondContact ND1-N 3.43Å; H351-Q353 PolarHBondContact O-N 3.35Å; H351-Q353 VanDerWaalsContact O-N 3.17Å; Q353-N356 PolarHBondContact O-OD1 3.37Å; Q353-N356 VanDerWaalsContact O-OD1 3.05Å; Q353-M561 WeakPolarHBondContact CG-O 3.29Å; Q353-M561 PolarHBondContact NE2-O 2.87Å; Q353-M561 PolarHBondContact NE2-OXT 2.99Å
354F91.2Very high94.8Very high42 Ų4240.2 Ų40.218%0.18419%0.194CC..THydrogen-bonded Turntrans-91.3-22.1-170.6-78.8-92.6000113.5H351 N356 R357 V358 D517 I518H351-F354 HydrophobicContact CB-CB 4.12Å; H351-F354 AromaticContact CD2-CD2 3.79Å; H351-F354 AromaticContact CE1-CD2 3.43Å; H351-F354 VanDerWaalsContact CE1-CD2 3.43Å; H351-F354 WeakPolarHBondContact CE1-CD2 3.14Å; H351-F354 AromaticContact CE1-CE2 3.98Å; H351-F354 AromaticContact CG-CD2 3.86Å; H351-F354 AromaticContact ND1-CD2 3.63Å; H351-F354 AromaticContact NE2-CD2 3.52Å; H351-F354 AromaticContact NE2-CE2 3.93Å; H351-F354 PolarHBondContact O-N 3.42Å; F354-N356 PolarHBondContact O-N 3.49Å; F354-N356 VanDerWaalsContact O-N 3.11Å; F354-R357 PolarHBondContact O-N 2.88Å; F354-V358 VanDerWaalsContact O-CG2 3.26Å; F354-V358 WeakPolarHBondContact O-CG2 3.48Å; F354-V358 PolarHBondContact O-N 3.25Å; F354-D517 WeakPolarHBondContact CZ-O 3.31Å; F354-I518 HydrophobicContact CD1-CG2 4.24Å; F354-I518 HydrophobicContact CD2-CG2 4.19Å; F354-I518 HydrophobicContact CE1-CG2 4.26Å; F354-I518 HydrophobicContact CE2-CG2 4.21Å; F354-I518 HydrophobicContact CG-CG2 4.21Å; F354-I518 HydrophobicContact CZ-CG2 4.25Å
355Y93.5Very high94.8Very high52 Ų5241 Ų4120%0.20420%0.198CC..Hα-helixtrans-49.2-47.1-171.476.1-87.3000112L348 H351 P352 R357 V358 T359 V396 P401L348-Y355 WeakPolarHBondContact O-CA 3.47Å; H351-Y355 WeakPolarHBondContact O-CB 3.41Å; H351-Y355 VanDerWaalsContact O-CD1 3.31Å; H351-Y355 WeakPolarHBondContact O-CD1 3.41Å; H351-Y355 PolarHBondContact O-N 2.76Å; P352-Y355 WeakPolarHBondContact O-CD1 3.46Å; P352-Y355 VanDerWaalsContact O-CE1 3.31Å; P352-Y355 WeakPolarHBondContact O-CE1 3.24Å; Y355-R357 PolarHBondContact O-N 3.13Å; Y355-V358 PolarHBondContact O-N 2.84Å; Y355-T359 PolarHBondContact O-N 3.46Å; Y355-T359 VanDerWaalsContact O-N 3.11Å; Y355-T359 PolarHBondContact O-OG1 2.88Å; Y355-V396 HydrophobicContact CD2-CG1 3.4Å; Y355-V396 HydrophobicContact CE2-CG1 4.27Å; Y355-V396 HydrophobicContact CG-CG1 4.09Å; Y355-P401 HydrophobicContact CD1-CB 4.15Å; Y355-P401 HydrophobicContact CD1-CG 4.43Å; Y355-P401 HydrophobicContact CG-CB 4.31Å
356N91.3Very high94.8Very high88 Ų8840.9 Ų40.947%0.47120%0.198SC..Hα-helixtrans-69.6-25.7-17763.1-12.3000114.5Q353 F354Q353-N356 PolarHBondContact O-OD1 3.37Å; Q353-N356 VanDerWaalsContact O-OD1 3.05Å; F354-N356 PolarHBondContact O-N 3.49Å; F354-N356 VanDerWaalsContact O-N 3.11Å
357R92.4Very high94.7Very high191 Ų19144.6 Ų44.672%0.72121%0.212SC*.Hα-helixtrans-84.4-27.6-179.8-65.2176.8-173.3176.42.2112.4F354 Y355F354-R357 PolarHBondContact O-N 2.88Å; Y355-R357 PolarHBondContact O-N 3.13Å
358V92.1Very high94.6Very high21 Ų2147.9 Ų47.913%0.12723%0.23CC..Hα-helixtrans-107.4-7.3-171.4-570000113.4L348 F354 Y355 E360 S361 V362L348-V358 HydrophobicContact CB-CG2 3.77Å; L348-V358 HydrophobicContact CD1-CG2 4.47Å; L348-V358 HydrophobicContact CD2-CG2 4.36Å; L348-V358 HydrophobicContact CG-CG2 4.41Å; F354-V358 VanDerWaalsContact O-CG2 3.26Å; F354-V358 WeakPolarHBondContact O-CG2 3.48Å; F354-V358 PolarHBondContact O-N 3.25Å; Y355-V358 PolarHBondContact O-N 2.84Å; V358-E360 VanDerWaalsContact C-N 3.32Å; V358-E360 PolarHBondContact O-N 3.38Å; V358-S361 WeakPolarHBondContact O-CB 3.29Å; V358-S361 PolarHBondContact O-N 2.82Å; V358-S361 VanDerWaalsContact O-N 3.09Å; V358-V362 HydrophobicContact CB-CG2 4.33Å; V358-V362 HydrophobicContact CG2-CG2 4.07Å; V358-V362 WeakPolarHBondContact O-CG2 3.42Å; V358-V362 PolarHBondContact O-N 2.86Å
359T93.4Very high94.6Very high3 Ų347.9 Ų47.92%0.01823%0.23CC..Hα-helixtrans-44.7-51.7-176.6-61.50000113.3Y355 V362 R363 P393 L397Y355-T359 PolarHBondContact O-N 3.46Å; Y355-T359 VanDerWaalsContact O-N 3.11Å; Y355-T359 PolarHBondContact O-OG1 2.88Å; T359-V362 PolarHBondContact O-N 2.68Å; T359-R363 PolarHBondContact O-N 3.39Å; T359-P393 HydrophobicContact CG2-CB 3.54Å; T359-L397 HydrophobicContact CG2-CD1 3.83Å; T359-L397 HydrophobicContact CG2-CD2 3.96Å; T359-L397 HydrophobicContact CG2-CG 3.68Å
360E93.7Very high94.6Very high102 Ų10248 Ų4848%0.47723%0.231SC..Hα-helixtrans-72-33.8-174.8-67.6-51.9127.300112.9V358 R363 M364V358-E360 VanDerWaalsContact C-N 3.32Å; V358-E360 PolarHBondContact O-N 3.38Å; E360-R363 WeakPolarHBondContact O-CB 3.47Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 IonicContact OE1-CZ 3.63Å; E360-R363 IonicContact OE1-NE 3.76Å; E360-R363 PolarHBondContact OE1-NE 3Å; E360-R363 IonicContact OE1-NH2 3.6Å; E360-R363 PolarHBondContact OE1-NH2 2.87Å; E360-R363 IonicContact OE2-CZ 3.48Å; E360-R363 IonicContact OE2-NE 3.94Å; E360-R363 PolarHBondContact OE2-NE 3.4Å; E360-R363 IonicContact OE2-NH2 3.08Å; E360-M364 PolarHBondContact O-N 3.4Å
361S94.5Very high94.6Very high68 Ų6854.7 Ų54.748%0.47626%0.255SS..Hα-helixtrans-63.1-47.9170.1-172.10000110.4V358 R363 M364 D365V358-S361 WeakPolarHBondContact O-CB 3.29Å; V358-S361 PolarHBondContact O-N 2.82Å; V358-S361 VanDerWaalsContact O-N 3.09Å; S361-R363 PolarHBondContact O-N 3.24Å; S361-M364 WeakPolarHBondContact O-CB 3.08Å; S361-M364 PolarHBondContact O-N 3.1Å; S361-D365 PolarHBondContact O-N 3.19Å
362V96.6Very high94.7Very high0 Ų059.2 Ų59.20%028%0.276CS..Hα-helixtrans-62.5-32.6179.3174.40000111.5L348 L349 V358 T359 M364 D365 L366L348-V362 HydrophobicContact CB-CG2 4.1Å; L348-V362 HydrophobicContact CD1-CG2 4.06Å; L349-V362 HydrophobicContact CD1-CG1 3.72Å; L349-V362 HydrophobicContact CD2-CB 4.21Å; L349-V362 HydrophobicContact CD2-CG1 4Å; L349-V362 HydrophobicContact CG-CB 4.43Å; L349-V362 HydrophobicContact CG-CG1 3.76Å; V358-V362 HydrophobicContact CB-CG2 4.33Å; V358-V362 HydrophobicContact CG2-CG2 4.07Å; V358-V362 WeakPolarHBondContact O-CG2 3.42Å; V358-V362 PolarHBondContact O-N 2.86Å; T359-V362 PolarHBondContact O-N 2.68Å; V362-M364 VanDerWaalsContact C-N 3.29Å; V362-M364 PolarHBondContact O-N 3.27Å; V362-D365 PolarHBondContact O-N 3.31Å; V362-L366 HydrophobicContact CG1-CD1 3.83Å; V362-L366 HydrophobicContact CG1-CG 4Å; V362-L366 WeakPolarHBondContact O-CB 3.28Å; V362-L366 VanDerWaalsContact O-CG 3.29Å; V362-L366 WeakPolarHBondContact O-CG 3.5Å; V362-L366 PolarHBondContact O-N 3.01Å
363R96Very high94.9Very high24 Ų2457.2 Ų57.29%0.09126%0.263CS..Hα-helixtrans-58.3-43.1173.1-170.5-172.7-59.4-82.12.7111.7T359 E360 S361 R367 P393 D394T359-R363 PolarHBondContact O-N 3.39Å; E360-R363 WeakPolarHBondContact O-CB 3.47Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 IonicContact OE1-CZ 3.63Å; E360-R363 IonicContact OE1-NE 3.76Å; E360-R363 PolarHBondContact OE1-NE 3Å; E360-R363 IonicContact OE1-NH2 3.6Å; E360-R363 PolarHBondContact OE1-NH2 2.87Å; E360-R363 IonicContact OE2-CZ 3.48Å; E360-R363 IonicContact OE2-NE 3.94Å; E360-R363 PolarHBondContact OE2-NE 3.4Å; E360-R363 IonicContact OE2-NH2 3.08Å; S361-R363 PolarHBondContact O-N 3.24Å; R363-R367 WeakPolarHBondContact O-CG 3.37Å; R363-R367 PolarHBondContact O-N 3.39Å; R363-P393 HydrophobicContact CB-CB 4.23Å; R363-P393 HydrophobicContact CB-CG 3.93Å; R363-P393 HydrophobicContact CG-CG 4.27Å; R363-D394 IonicContact CZ-OD1 2.64Å; R363-D394 VanDerWaalsContact CZ-OD1 3.23Å; R363-D394 VanDerWaalsContact NH1-CG 3.26Å; R363-D394 IonicContact NH1-OD1 3.75Å; R363-D394 PolarHBondContact NH1-OD1 3.25Å; R363-D394 IonicContact NH1-OD2 2.79Å; R363-D394 PolarHBondContact NH1-OD2 2.87Å; R363-D394 IonicContact NH2-OD1 3.04Å; R363-D394 PolarHBondContact NH2-OD1 3.34Å
364M95.6Very high95.2Very high84 Ų8456 Ų5641%0.41426%0.257SS..Hα-helixtrans-68.5-42.4176.1-63.7-56.7105.500111.3E360 S361 V362 L366 R367 N368E360-M364 PolarHBondContact O-N 3.4Å; S361-M364 WeakPolarHBondContact O-CB 3.08Å; S361-M364 PolarHBondContact O-N 3.1Å; V362-M364 VanDerWaalsContact C-N 3.29Å; V362-M364 PolarHBondContact O-N 3.27Å; M364-L366 VanDerWaalsContact C-N 3.32Å; M364-L366 PolarHBondContact O-N 2.77Å; M364-R367 PolarHBondContact O-N 3.43Å; M364-N368 PolarHBondContact O-N 3.18Å
365D96.4Very high95.4Very high37 Ų3761 Ų6120%0.19828%0.275CS..Hα-helixtrans-58.5-43.6176.6-65.1-31000111.6C341 S361 V362 R367 N368 F369C341-D365 PolarHBondContact SG-O 2.98Å; C341-D365 VanDerWaalsContact SG-O 3.36Å; S361-D365 PolarHBondContact O-N 3.19Å; V362-D365 PolarHBondContact O-N 3.31Å; D365-R367 PolarHBondContact O-N 2.88Å; D365-N368 PolarHBondContact O-N 2.88Å; D365-F369 WeakPolarHBondContact O-CB 3.47Å; D365-F369 PolarHBondContact O-N 3.29Å
366L97.5Very high95.6Very high0 Ų058.7 Ų58.70%027%0.267CS..Hα-helixtrans-68.4-34.8178.5-68.1175.2000112.6L342 M346 L349 V362 M364 F369 L370 L389 P393L342-L366 HydrophobicContact CD1-CD2 4.42Å; M346-L366 HydrophobicContact CE-CD1 3.92Å; M346-L366 HydrophobicContact CE-CD2 3.74Å; M346-L366 HydrophobicContact CE-CG 4.44Å; L349-L366 HydrophobicContact CD1-CD1 4.25Å; V362-L366 HydrophobicContact CG1-CD1 3.83Å; V362-L366 HydrophobicContact CG1-CG 4Å; V362-L366 WeakPolarHBondContact O-CB 3.28Å; V362-L366 VanDerWaalsContact O-CG 3.29Å; V362-L366 WeakPolarHBondContact O-CG 3.5Å; V362-L366 PolarHBondContact O-N 3.01Å; M364-L366 VanDerWaalsContact C-N 3.32Å; M364-L366 PolarHBondContact O-N 2.77Å; L366-F369 WeakPolarHBondContact O-CB 3.27Å; L366-F369 PolarHBondContact O-N 2.89Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.39Å; L366-L370 PolarHBondContact O-N 3.12Å; L366-L389 WeakPolarHBondContact CD1-O 3.38Å; L366-L389 HydrophobicContact CD2-CB 4.46Å; L366-P393 HydrophobicContact CD1-CG 4.17Å
367R96.1Very high95.8Very high77 Ų7755.1 Ų55.129%0.29125%0.247SC..Hα-helixtrans-64.9-41.3171.7-72.7176.2177-169.2-1.1111.6E208 R363 M364 D365 L370 R371E208-R367 IonicContact OE1-NH1 3.39Å; E208-R367 PolarHBondContact OE1-NH1 3.11Å; E208-R367 VanDerWaalsContact OE1-NH1 3.13Å; R363-R367 WeakPolarHBondContact O-CG 3.37Å; R363-R367 PolarHBondContact O-N 3.39Å; M364-R367 PolarHBondContact O-N 3.43Å; D365-R367 PolarHBondContact O-N 2.88Å; R367-L370 PolarHBondContact O-N 3.36Å; R367-R371 PolarHBondContact O-N 3.16Å
368N95.7Very high96Very high75 Ų7547 Ų4740%0.40122%0.222SC..Hα-helixtrans-66.3-42.5175-70.7-23.4000111.4M364 D365 L370 R371 E372M364-N368 PolarHBondContact O-N 3.18Å; D365-N368 PolarHBondContact O-N 2.88Å; N368-L370 VanDerWaalsContact C-N 3.26Å; N368-L370 PolarHBondContact O-N 3.36Å; N368-R371 PolarHBondContact O-N 3.07Å; N368-R371 VanDerWaalsContact O-N 3.16Å; N368-E372 PolarHBondContact O-N 3.31Å
369F97.8Very high96.2Very high1 Ų147.6 Ų47.60%0.00423%0.227CC..Hα-helixtrans-52.1-45.2172.7170.1-95.1000111.5L259 N338 L342 D365 L366 E372 Y373 V386 L389L259-F369 HydrophobicContact CD1-CZ 4.48Å; N338-F369 VanDerWaalsContact ND2-CD2 3.28Å; N338-F369 WeakPolarHBondContact ND2-CD2 3.44Å; N338-F369 PolarHBondContact ND2-O 3.09Å; N338-F369 WeakPolarHBondContact O-CD2 3.36Å; N338-F369 WeakPolarHBondContact O-CE2 3.48Å; N338-F369 WeakPolarHBondContact OD1-CE2 3.45Å; L342-F369 HydrophobicContact CB-CD2 3.82Å; L342-F369 HydrophobicContact CB-CE2 3.54Å; L342-F369 HydrophobicContact CB-CZ 4.08Å; L342-F369 HydrophobicContact CD1-CE1 4.49Å; L342-F369 HydrophobicContact CD1-CZ 4.38Å; L342-F369 HydrophobicContact CD2-CE2 4.25Å; L342-F369 HydrophobicContact CD2-CZ 4.03Å; L342-F369 HydrophobicContact CG-CE2 4.34Å; L342-F369 HydrophobicContact CG-CZ 4.39Å; D365-F369 WeakPolarHBondContact O-CB 3.47Å; D365-F369 PolarHBondContact O-N 3.29Å; L366-F369 WeakPolarHBondContact O-CB 3.27Å; L366-F369 PolarHBondContact O-N 2.89Å; F369-E372 PolarHBondContact O-N 2.62Å; F369-Y373 AromaticContact CE1-CD2 3.95Å; F369-Y373 HydrophobicContact CE1-CD2 3.95Å; F369-Y373 HydrophobicContact CE1-CG 4.44Å; F369-Y373 HydrophobicContact CE2-CD2 4.42Å; F369-Y373 AromaticContact CZ-CD2 3.63Å; F369-Y373 HydrophobicContact CZ-CD2 3.63Å; F369-Y373 HydrophobicContact CZ-CE2 4.4Å; F369-Y373 HydrophobicContact CZ-CG 4.44Å; F369-Y373 WeakPolarHBondContact O-CA 3.29Å; F369-Y373 WeakPolarHBondContact O-CB 3.46Å; F369-Y373 PolarHBondContact O-N 3.12Å; F369-V386 HydrophobicContact CE1-CG1 4.47Å; F369-L389 HydrophobicContact CD1-CD1 3.88Å; F369-L389 HydrophobicContact CE1-CD1 3.44Å; F369-L389 VanDerWaalsContact CE1-CD1 3.44Å; F369-L389 HydrophobicContact CZ-CD1 4.33Å
370L97.9Very high96.3Very high4 Ų450 Ų502%0.02124%0.238CC..Hα-helixtrans-66.1-38.1-179.5-69.2179.4000113.5N206 L366 R367 N368 Y373 E374 V386 Q390N206-L370 PolarHBondContact ND2-O 2.82Å; N206-L370 WeakPolarHBondContact OD1-CB 3.15Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.39Å; L366-L370 PolarHBondContact O-N 3.12Å; R367-L370 PolarHBondContact O-N 3.36Å; N368-L370 VanDerWaalsContact C-N 3.26Å; N368-L370 PolarHBondContact O-N 3.36Å; L370-Y373 PolarHBondContact O-N 3.13Å; L370-E374 PolarHBondContact O-N 3.05Å; L370-E374 VanDerWaalsContact O-N 3.15Å; L370-V386 HydrophobicContact CD2-CG1 3.54Å; L370-V386 VanDerWaalsContact CD2-O 3.25Å; L370-V386 WeakPolarHBondContact CD2-O 3.39Å; L370-Q390 HydrophobicContact CD1-CB 3.86Å; L370-Q390 HydrophobicContact CD1-CG 4.35Å
371R96.7Very high96.5Very high143 Ų14345.6 Ų45.654%0.5422%0.217SC..Hα-helixtrans-64.9-48.7175.3-67.5173.7-177.5161.8-2110.9R367 N368 Y373 E374 W375R367-R371 PolarHBondContact O-N 3.16Å; N368-R371 PolarHBondContact O-N 3.07Å; N368-R371 VanDerWaalsContact O-N 3.16Å; R371-Y373 VanDerWaalsContact C-N 3.31Å; R371-Y373 PolarHBondContact O-N 2.78Å; R371-E374 WeakPolarHBondContact O-CB 3.44Å; R371-E374 PolarHBondContact O-N 3.28Å; R371-W375 PolarHBondContact O-N 2.95Å
372E96.9Very high96.6Very high99 Ų9942.4 Ų42.446%0.46320%0.195SC..Hα-helixtrans-66.8-33.8177.6-66.9-53133.400112.3N338 N368 F369 E374 W375 C376N338-E372 WeakPolarHBondContact ND2-CB 3.32Å; N368-E372 PolarHBondContact O-N 3.31Å; F369-E372 PolarHBondContact O-N 2.62Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 3.27Å; E372-W375 PolarHBondContact O-N 2.77Å; E372-C376 WeakPolarHBondContact O-CB 3.4Å; E372-C376 PolarHBondContact O-N 2.95Å; E372-C376 PolarHBondContact O-SG 3.01Å
373Y98Very high96.7Very high1 Ų143.8 Ų43.80%0.00420%0.203CC..Hα-helixtrans-61.5-42.5176-179.4-75.5000110.8K258 L259 N338 F369 L370 R371 W375 C376 Y377 N381 L382 V386K258-Y373 WeakPolarHBondContact CD-OH 3.43Å; K258-Y373 WeakPolarHBondContact CE-OH 3.41Å; L259-Y373 HydrophobicContact CD2-CD2 3.97Å; L259-Y373 HydrophobicContact CD2-CE2 3.57Å; L259-Y373 HydrophobicContact CG-CE2 4.4Å; N338-Y373 PolarHBondContact ND2-N 2.93Å; F369-Y373 AromaticContact CE1-CD2 3.95Å; F369-Y373 HydrophobicContact CE1-CD2 3.95Å; F369-Y373 HydrophobicContact CE1-CG 4.44Å; F369-Y373 HydrophobicContact CE2-CD2 4.42Å; F369-Y373 AromaticContact CZ-CD2 3.63Å; F369-Y373 HydrophobicContact CZ-CD2 3.63Å; F369-Y373 HydrophobicContact CZ-CE2 4.4Å; F369-Y373 HydrophobicContact CZ-CG 4.44Å; F369-Y373 WeakPolarHBondContact O-CA 3.29Å; F369-Y373 WeakPolarHBondContact O-CB 3.46Å; F369-Y373 PolarHBondContact O-N 3.12Å; L370-Y373 PolarHBondContact O-N 3.13Å; R371-Y373 VanDerWaalsContact C-N 3.31Å; R371-Y373 PolarHBondContact O-N 2.78Å; Y373-W375 VanDerWaalsContact C-N 3.32Å; Y373-W375 PolarHBondContact O-N 3.17Å; Y373-C376 PolarHBondContact O-N 3.25Å; Y373-Y377 HydrophobicContact CD1-CD2 4.01Å; Y373-Y377 AromaticContact CD2-CD2 3.39Å; Y373-Y377 HydrophobicContact CD2-CD2 3.39Å; Y373-Y377 AromaticContact CD2-CE2 3.65Å; Y373-Y377 HydrophobicContact CD2-CE2 3.65Å; Y373-Y377 HydrophobicContact CE1-CD2 4.1Å; Y373-Y377 AromaticContact CE2-CD2 3.53Å; Y373-Y377 HydrophobicContact CE2-CD2 3.53Å; Y373-Y377 AromaticContact CE2-CE2 3.94Å; Y373-Y377 HydrophobicContact CE2-CE2 3.94Å; Y373-Y377 HydrophobicContact CE2-CG 4.36Å; Y373-Y377 AromaticContact CG-CD2 3.65Å; Y373-Y377 HydrophobicContact CG-CD2 3.65Å; Y373-Y377 HydrophobicContact CG-CE2 4.22Å; Y373-Y377 AromaticContact CZ-CD2 3.88Å; Y373-Y377 VanDerWaalsContact O-CD2 3.32Å; Y373-Y377 WeakPolarHBondContact O-CD2 3.28Å; Y373-Y377 PolarHBondContact O-N 2.9Å; Y373-N381 HydrophobicContact CE1-CB 3.91Å; Y373-N381 WeakPolarHBondContact CE1-O 3.41Å; Y373-N381 PolarHBondContact OH-O 3.06Å; Y373-N381 VanDerWaalsContact OH-O 3.04Å; Y373-L382 HydrophobicContact CD1-CD2 3.63Å; Y373-L382 HydrophobicContact CD1-CG 4.42Å; Y373-L382 HydrophobicContact CE1-CD2 4.18Å; Y373-V386 HydrophobicContact CD1-CG1 3.93Å; Y373-V386 HydrophobicContact CD2-CG1 4.14Å; Y373-V386 HydrophobicContact CE1-CG1 3.89Å; Y373-V386 HydrophobicContact CE1-CG2 4.32Å; Y373-V386 HydrophobicContact CE2-CG1 4.08Å; Y373-V386 HydrophobicContact CE2-CG2 4.14Å; Y373-V386 HydrophobicContact CG-CG1 4.06Å
374E96.9Very high96.7Very high63 Ų6342.9 Ų42.929%0.29420%0.2SC..Hα-helixtrans-60.5-41.7176.2-173.9168.9-164.700111.8N206 L370 R371 E372 G378 C379 L382N206-E374 PolarHBondContact ND2-OE2 3.09Å; L370-E374 PolarHBondContact O-N 3.05Å; L370-E374 VanDerWaalsContact O-N 3.15Å; R371-E374 WeakPolarHBondContact O-CB 3.44Å; R371-E374 PolarHBondContact O-N 3.28Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 3.27Å; E374-G378 CarbonylContact O-C 3.45Å; E374-G378 WeakPolarHBondContact O-CA 3.31Å; E374-G378 PolarHBondContact O-N 2.78Å; E374-C379 HydrophobicContact CG-CB 3.87Å; E374-C379 WeakPolarHBondContact OE1-CB 3.34Å; E374-L382 HydrophobicContact CB-CD1 4.03Å; E374-L382 HydrophobicContact CB-CD2 4.47Å; E374-L382 HydrophobicContact CB-CG 4.44Å; E374-L382 HydrophobicContact CG-CD1 3.95Å
375W95.2Very high96.8Very high148 Ų14840.8 Ų40.856%0.56119%0.19SC*.Hα-helixtrans-69.2-38.1176.2-177.892.4000113.1K272 P334 R371 E372 Y373K272-W375 PolarHBondContact NZ-O 3.17Å; P334-W375 HydrophobicContact CB-CE3 4.44Å; P334-W375 HydrophobicContact CB-CH2 4.09Å; P334-W375 HydrophobicContact CB-CZ3 3.48Å; P334-W375 VanDerWaalsContact CB-CZ3 3.48Å; P334-W375 HydrophobicContact CG-CH2 4.09Å; P334-W375 HydrophobicContact CG-CZ3 3.99Å; R371-W375 PolarHBondContact O-N 2.95Å; E372-W375 PolarHBondContact O-N 2.77Å; Y373-W375 VanDerWaalsContact C-N 3.32Å; Y373-W375 PolarHBondContact O-N 3.17Å
376C96.5Very high96.9Very high4 Ų439 Ų393%0.02718%0.181CC..Hα-helixtrans-71.5-43.6-179.2-72.90000112.4L335 E372 Y373L335-C376 HydrophobicContact CD2-CB 3.76Å; E372-C376 WeakPolarHBondContact O-CB 3.4Å; E372-C376 PolarHBondContact O-N 2.95Å; E372-C376 PolarHBondContact O-SG 3.01Å; Y373-C376 PolarHBondContact O-N 3.25Å
377Y96.9Very high96.9Very high13 Ų1339 Ų395%0.05118%0.181CC..Hα-helixtrans-125.1-1.2-164.6-50.5-67.9000114.4L259 L262 W263 L266 L335 N338 Y373 N381L259-Y377 HydrophobicContact CD2-CD2 4.16Å; L259-Y377 HydrophobicContact CD2-CE1 4.36Å; L259-Y377 HydrophobicContact CD2-CE2 3.42Å; L259-Y377 VanDerWaalsContact CD2-CE2 3.42Å; L262-Y377 HydrophobicContact CB-CD1 3.98Å; L262-Y377 HydrophobicContact CB-CE1 4.33Å; L262-Y377 HydrophobicContact CD1-CD1 3.89Å; L262-Y377 HydrophobicContact CD1-CG 3.89Å; L262-Y377 HydrophobicContact CG-CD1 4.47Å; W263-Y377 AromaticContact CD1-CE1 3.85Å; W263-Y377 AromaticContact NE1-CE1 3.72Å; W263-Y377 AromaticContact NE1-CZ 3.73Å; W263-Y377 PolarHBondContact NE1-OH 3.1Å; L266-Y377 HydrophobicContact CD1-CD1 4.37Å; L266-Y377 HydrophobicContact CD1-CE1 4.4Å; L335-Y377 HydrophobicContact CD2-CE1 3.77Å; N338-Y377 WeakPolarHBondContact OD1-CE2 3.37Å; Y373-Y377 HydrophobicContact CD1-CD2 4.01Å; Y373-Y377 AromaticContact CD2-CD2 3.39Å; Y373-Y377 HydrophobicContact CD2-CD2 3.39Å; Y373-Y377 AromaticContact CD2-CE2 3.65Å; Y373-Y377 HydrophobicContact CD2-CE2 3.65Å; Y373-Y377 HydrophobicContact CE1-CD2 4.1Å; Y373-Y377 AromaticContact CE2-CD2 3.53Å; Y373-Y377 HydrophobicContact CE2-CD2 3.53Å; Y373-Y377 AromaticContact CE2-CE2 3.94Å; Y373-Y377 HydrophobicContact CE2-CE2 3.94Å; Y373-Y377 HydrophobicContact CE2-CG 4.36Å; Y373-Y377 AromaticContact CG-CD2 3.65Å; Y373-Y377 HydrophobicContact CG-CD2 3.65Å; Y373-Y377 HydrophobicContact CG-CE2 4.22Å; Y373-Y377 AromaticContact CZ-CD2 3.88Å; Y373-Y377 VanDerWaalsContact O-CD2 3.32Å; Y373-Y377 WeakPolarHBondContact O-CD2 3.28Å; Y373-Y377 PolarHBondContact O-N 2.9Å; Y377-N381 PolarHBondContact O-ND2 2.82Å
378G95.5Very high97Very high19 Ų1935.4 Ų35.420%0.19617%0.168CC..  trans84.2150-18000000113.9E374 E380 N381E374-G378 CarbonylContact O-C 3.45Å; E374-G378 WeakPolarHBondContact O-CA 3.31Å; E374-G378 PolarHBondContact O-N 2.78Å; G378-E380 VanDerWaalsContact CA-OE2 3.25Å; G378-E380 WeakPolarHBondContact CA-OE2 3.38Å; G378-E380 PolarHBondContact O-N 3.26Å; G378-N381 PolarHBondContact O-N 3.47Å
379C96.3Very high97.1Very high35 Ų3531.9 Ų31.924%0.23615%0.148CC..G310 helixtrans-66.9-20.8-178.172.60000113.4L198 E374 N381 L382L198-C379 WeakPolarHBondContact CD1-SG 3.41Å; E374-C379 HydrophobicContact CG-CB 3.87Å; E374-C379 WeakPolarHBondContact OE1-CB 3.34Å; C379-N381 PolarHBondContact O-N 2.9Å; C379-L382 HydrophobicContact CB-CD1 4.43Å; C379-L382 PolarHBondContact O-N 2.8Å
380E96.2Very high97.1Very high54 Ų5432.6 Ų32.625%0.25215%0.152SC..G310 helixtrans-67.1-14172.274.8-75177.100112.9L198 D199 T203 G378L198-E380 HydrophobicContact CB-CB 4.01Å; D199-E380 HydrophobicContact CB-CB 4.39Å; T203-E380 VanDerWaalsContact CG2-O 3.27Å; T203-E380 WeakPolarHBondContact CG2-O 3.46Å; G378-E380 VanDerWaalsContact CA-OE2 3.25Å; G378-E380 WeakPolarHBondContact CA-OE2 3.38Å; G378-E380 PolarHBondContact O-N 3.26Å
381N97.1Very high97Very high8 Ų832.7 Ų32.74%0.04315%0.152CC..G310 helixtrans-103-0.4178.5-74.7-60000114.2K258 L262 Y373 Y377 G378 C379 V383K258-N381 WeakPolarHBondContact CE-O 3.46Å; K258-N381 PolarHBondContact NZ-OD1 3.42Å; L262-N381 HydrophobicContact CD1-CB 4.43Å; Y373-N381 HydrophobicContact CE1-CB 3.91Å; Y373-N381 WeakPolarHBondContact CE1-O 3.41Å; Y373-N381 PolarHBondContact OH-O 3.06Å; Y373-N381 VanDerWaalsContact OH-O 3.04Å; Y377-N381 PolarHBondContact O-ND2 2.82Å; G378-N381 PolarHBondContact O-N 3.47Å; C379-N381 PolarHBondContact O-N 2.9Å; N381-V383 PolarHBondContact O-N 2.85Å
382L97.3Very high97Very high1 Ų125.9 Ų25.91%0.00513%0.127CC..  trans-75.259.7170.5-67.5173.3000111.3T203 F204 Y373 E374 C379 V386T203-L382 CarbonylContact C-O 3.28Å; T203-L382 VanDerWaalsContact CA-O 3.23Å; T203-L382 WeakPolarHBondContact CA-O 3.1Å; T203-L382 WeakPolarHBondContact CB-O 3.31Å; F204-L382 PolarHBondContact N-O 3.21Å; Y373-L382 HydrophobicContact CD1-CD2 3.63Å; Y373-L382 HydrophobicContact CD1-CG 4.42Å; Y373-L382 HydrophobicContact CE1-CD2 4.18Å; E374-L382 HydrophobicContact CB-CD1 4.03Å; E374-L382 HydrophobicContact CB-CD2 4.47Å; E374-L382 HydrophobicContact CB-CG 4.44Å; E374-L382 HydrophobicContact CG-CD1 3.95Å; C379-L382 HydrophobicContact CB-CD1 4.43Å; C379-L382 PolarHBondContact O-N 2.8Å; L382-V386 HydrophobicContact CD2-CG1 4.14Å
383V97.4Very high97.1Very high29 Ų2921.2 Ų21.218%0.17611%0.105CC..  trans-77.2168.8179.2-59.90000111.3K258 N381 N385 V386 H387K258-V383 HydrophobicContact CD-CG2 3.82Å; N381-V383 PolarHBondContact O-N 2.85Å; V383-N385 PolarHBondContact O-N 2.94Å; V383-N385 VanDerWaalsContact O-N 3.17Å; V383-V386 HydrophobicContact CG2-CG2 4.04Å; V383-V386 WeakPolarHBondContact O-CB 3.46Å; V383-V386 PolarHBondContact O-N 2.85Å; V383-H387 PolarHBondContact O-N 2.88Å
384Y97.7Very high97Very high5 Ų522.9 Ų22.92%0.0211%0.114CC..Hα-helixtrans-41.9-54.5-177.9174.9-92.1000114.2A170 R173 H182 G187 D189 F204 V386 H387 S388A170-Y384 HydrophobicContact CB-CE1 3.81Å; R173-Y384 PolarHBondContact NH2-OH 3.15Å; H182-Y384 HydrophobicContact CB-CD1 3.73Å; H182-Y384 HydrophobicContact CB-CD2 3.71Å; H182-Y384 HydrophobicContact CB-CE1 4.04Å; H182-Y384 HydrophobicContact CB-CE2 3.99Å; H182-Y384 HydrophobicContact CB-CG 3.57Å; H182-Y384 WeakPolarHBondContact O-CB 3.36Å; G187-Y384 VanDerWaalsContact O-CE2 3.27Å; G187-Y384 WeakPolarHBondContact O-CE2 3.42Å; D189-Y384 PolarHBondContact OD2-OH 3.02Å; F204-Y384 HydrophobicContact CE2-CD2 4.33Å; F204-Y384 HydrophobicContact CZ-CD2 4.49Å; Y384-V386 VanDerWaalsContact C-N 3.26Å; Y384-V386 PolarHBondContact O-N 3.25Å; Y384-H387 PolarHBondContact O-N 2.77Å; Y384-S388 VanDerWaalsContact O-CB 3.26Å; Y384-S388 WeakPolarHBondContact O-CB 3.28Å; Y384-S388 PolarHBondContact O-N 3.41Å; Y384-S388 PolarHBondContact O-OG 2.82Å
385N97.7Very high97Very high40 Ų4019.9 Ų19.921%0.21410%0.1CC..Hα-helixtrans-61-35.9-176.9-72.9-18.8000112.8M250 G254 V255 V383M250-N385 HydrophobicContact CG-CB 4.03Å; M250-N385 VanDerWaalsContact SD-O 3.34Å; G254-N385 WeakPolarHBondContact CA-ND2 3.33Å; V255-N385 HydrophobicContact CG2-CB 4.12Å; V255-N385 WeakPolarHBondContact CG2-O 3.32Å; V383-N385 PolarHBondContact O-N 2.94Å; V383-N385 VanDerWaalsContact O-N 3.17Å
386V98Very high97.1Very high0 Ų012.9 Ų12.90%07%0.073CC..Hα-helixtrans-69.8-53.1177.91790000108.9V255 K258 F369 L370 Y373 L382 V383 Y384 S388 L389V255-V386 HydrophobicContact CG2-CG2 4.27Å; K258-V386 HydrophobicContact CD-CG2 4.13Å; F369-V386 HydrophobicContact CE1-CG1 4.47Å; L370-V386 HydrophobicContact CD2-CG1 3.54Å; L370-V386 VanDerWaalsContact CD2-O 3.25Å; L370-V386 WeakPolarHBondContact CD2-O 3.39Å; Y373-V386 HydrophobicContact CD1-CG1 3.93Å; Y373-V386 HydrophobicContact CD2-CG1 4.14Å; Y373-V386 HydrophobicContact CE1-CG1 3.89Å; Y373-V386 HydrophobicContact CE1-CG2 4.32Å; Y373-V386 HydrophobicContact CE2-CG1 4.08Å; Y373-V386 HydrophobicContact CE2-CG2 4.14Å; Y373-V386 HydrophobicContact CG-CG1 4.06Å; L382-V386 HydrophobicContact CD2-CG1 4.14Å; V383-V386 HydrophobicContact CG2-CG2 4.04Å; V383-V386 WeakPolarHBondContact O-CB 3.46Å; V383-V386 PolarHBondContact O-N 2.85Å; Y384-V386 VanDerWaalsContact C-N 3.26Å; Y384-V386 PolarHBondContact O-N 3.25Å; V386-S388 PolarHBondContact O-N 3.16Å; V386-L389 WeakPolarHBondContact O-CB 3.28Å; V386-L389 WeakPolarHBondContact O-CG 3.33Å; V386-L389 PolarHBondContact O-N 2.75Å; V386-L389 VanDerWaalsContact O-N 3.14Å
387H97.7Very high97Very high1 Ų117 Ų171%0.00510%0.095CC..Hα-helixtrans-53.7-39.9176.8171.685.1000112.8C188 C191 F204 V383 Y384 L389 Q390 H391C188-H387 PolarHBondContact SG-NE2 3.22Å; C191-H387 PolarHBondContact SG-NE2 2.91Å; C191-H387 VanDerWaalsContact SG-NE2 3.44Å; F204-H387 HydrophobicContact CB-CB 3.76Å; F204-H387 HydrophobicContact CD2-CB 4.36Å; F204-H387 HydrophobicContact CG-CB 4.29Å; V383-H387 PolarHBondContact O-N 2.88Å; Y384-H387 PolarHBondContact O-N 2.77Å; H387-L389 PolarHBondContact O-N 3.43Å; H387-Q390 PolarHBondContact CE1-NE2 3.19Å; H387-Q390 PolarHBondContact ND1-NE2 3.14Å; H387-Q390 VanDerWaalsContact ND1-NE2 3.19Å; H387-Q390 WeakPolarHBondContact O-CG 3.4Å; H387-Q390 PolarHBondContact O-NE2 3.28Å; H387-H391 AromaticContact CD2-NE2 3.83Å; H387-H391 AromaticContact NE2-NE2 3.25Å; H387-H391 PolarHBondContact NE2-NE2 3.29Å
388S97.5Very high97Very high1 Ų118.6 Ų18.61%0.00711%0.111CC..Hα-helixtrans-67.8-17.6-176.5-69.70000114.7Y384 V386 Q390 H391Y384-S388 VanDerWaalsContact O-CB 3.26Å; Y384-S388 WeakPolarHBondContact O-CB 3.28Å; Y384-S388 PolarHBondContact O-N 3.41Å; Y384-S388 PolarHBondContact O-OG 2.82Å; V386-S388 PolarHBondContact O-N 3.16Å; S388-Q390 PolarHBondContact O-N 2.93Å; S388-H391 PolarHBondContact O-N 3.07Å; S388-H391 VanDerWaalsContact O-N 3.12Å
389L98Very high97Very high0 Ų018.6 Ų18.60%011%0.105CC..G310 helixtrans-55.5-40.2177.3-71.4170000112.3M250 V251 V255 L342 M346 L366 F369 V386 H387 H391 L392M250-L389 HydrophobicContact SD-CD2 3.89Å; M250-L389 HydrophobicContact SD-CG 4.33Å; V251-L389 HydrophobicContact CG2-CD2 4.07Å; V255-L389 HydrophobicContact CG1-CD1 4.09Å; V255-L389 HydrophobicContact CG2-CD1 3.98Å; V255-L389 HydrophobicContact CG2-CD2 4.13Å; V255-L389 HydrophobicContact CG2-CG 4.07Å; L342-L389 HydrophobicContact CD1-CD1 3.81Å; L342-L389 HydrophobicContact CD1-CD2 4.02Å; M346-L389 HydrophobicContact CE-CD2 4.34Å; M346-L389 HydrophobicContact SD-CD2 4.39Å; L366-L389 WeakPolarHBondContact CD1-O 3.38Å; L366-L389 HydrophobicContact CD2-CB 4.46Å; F369-L389 HydrophobicContact CD1-CD1 3.88Å; F369-L389 HydrophobicContact CE1-CD1 3.44Å; F369-L389 VanDerWaalsContact CE1-CD1 3.44Å; F369-L389 HydrophobicContact CZ-CD1 4.33Å; V386-L389 WeakPolarHBondContact O-CB 3.28Å; V386-L389 WeakPolarHBondContact O-CG 3.33Å; V386-L389 PolarHBondContact O-N 2.75Å; V386-L389 VanDerWaalsContact O-N 3.14Å; H387-L389 PolarHBondContact O-N 3.43Å; L389-H391 PolarHBondContact O-N 2.86Å; L389-L392 HydrophobicContact CD2-CD1 3.86Å; L389-L392 WeakPolarHBondContact O-CB 3.31Å; L389-L392 PolarHBondContact O-N 2.91Å
390Q96.9Very high96.9Very high17 Ų1717.3 Ų17.38%0.07910%0.098CC..G310 helixtrans-62.5-16.5-177.377.2-168.6-73.600114L370 H387 S388L370-Q390 HydrophobicContact CD1-CB 3.86Å; L370-Q390 HydrophobicContact CD1-CG 4.35Å; H387-Q390 PolarHBondContact CE1-NE2 3.19Å; H387-Q390 PolarHBondContact ND1-NE2 3.14Å; H387-Q390 VanDerWaalsContact ND1-NE2 3.19Å; H387-Q390 WeakPolarHBondContact O-CG 3.4Å; H387-Q390 PolarHBondContact O-NE2 3.28Å; S388-Q390 PolarHBondContact O-N 2.93Å
391H97Very high96.9Very high6 Ų616 Ų163%0.0289%0.094CC..G310 helixtrans-99.1-7.3-178.6-51.5-56.2000112.8R190 L245 H387 S388 L389 P393 D394R190-H391 HydrophobicContact CB-CB 3.88Å; R190-H391 VanDerWaalsContact CB-CD2 3.47Å; R190-H391 WeakPolarHBondContact CB-CD2 3.47Å; R190-H391 VanDerWaalsContact CB-CG 3.44Å; R190-H391 HydrophobicContact CG-CB 3.6Å; L245-H391 HydrophobicContact CD1-CB 3.99Å; H387-H391 AromaticContact CD2-NE2 3.83Å; H387-H391 AromaticContact NE2-NE2 3.25Å; H387-H391 PolarHBondContact NE2-NE2 3.29Å; S388-H391 PolarHBondContact O-N 3.07Å; S388-H391 VanDerWaalsContact O-N 3.12Å; L389-H391 PolarHBondContact O-N 2.86Å; H391-P393 VanDerWaalsContact C-CD 3.4Å; H391-D394 PolarHBondContact O-N 2.75Å
392L97.2Very high96.9Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-57.7-39175.7-77.8173.3000114.5L245 M250 V251 M346 L349 L389 D394 D395 V396 L402L245-L392 HydrophobicContact CB-CD2 4.39Å; M250-L392 HydrophobicContact CE-CD1 3.74Å; M250-L392 HydrophobicContact CE-CD2 3.43Å; M250-L392 VanDerWaalsContact CE-CD2 3.43Å; M250-L392 HydrophobicContact CE-CG 3.55Å; V251-L392 HydrophobicContact CG2-CD1 3.7Å; M346-L392 HydrophobicContact CE-CD1 3.72Å; M346-L392 HydrophobicContact SD-CD1 3.7Å; L349-L392 HydrophobicContact CD1-CB 4.17Å; L389-L392 HydrophobicContact CD2-CD1 3.86Å; L389-L392 WeakPolarHBondContact O-CB 3.31Å; L389-L392 PolarHBondContact O-N 2.91Å; L392-D394 PolarHBondContact O-N 3.3Å; L392-D395 PolarHBondContact O-N 2.83Å; L392-D395 VanDerWaalsContact O-N 3.11Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 3.03Å; L392-L402 HydrophobicContact CD1-CD2 4.41Å; L392-L402 HydrophobicContact CD2-CD2 4.08Å
393P97.1Very high96.7Very high0 Ų017.8 Ų17.80%010%0.104CC..Hα-helixtrans-53.5-36.9178.6-30.338.3000113.5T359 R363 L366 H391 V396 L397T359-P393 HydrophobicContact CG2-CB 3.54Å; R363-P393 HydrophobicContact CB-CB 4.23Å; R363-P393 HydrophobicContact CB-CG 3.93Å; R363-P393 HydrophobicContact CG-CG 4.27Å; L366-P393 HydrophobicContact CD1-CG 4.17Å; H391-P393 VanDerWaalsContact C-CD 3.4Å; P393-V396 PolarHBondContact O-N 3.18Å; P393-L397 WeakPolarHBondContact O-CG 3.48Å; P393-L397 PolarHBondContact O-N 2.96Å
394D96.2Very high96.6Very high37 Ų3718.5 Ų18.520%0.19811%0.11CC..Hα-helixtrans-68-41.8178.6-59.7-44.9000112R363 H391 L392 V396 L397 A398R363-D394 IonicContact CZ-OD1 2.64Å; R363-D394 VanDerWaalsContact CZ-OD1 3.23Å; R363-D394 VanDerWaalsContact NH1-CG 3.26Å; R363-D394 IonicContact NH1-OD1 3.75Å; R363-D394 PolarHBondContact NH1-OD1 3.25Å; R363-D394 IonicContact NH1-OD2 2.79Å; R363-D394 PolarHBondContact NH1-OD2 2.87Å; R363-D394 IonicContact NH2-OD1 3.04Å; R363-D394 PolarHBondContact NH2-OD1 3.34Å; H391-D394 PolarHBondContact O-N 2.75Å; L392-D394 PolarHBondContact O-N 3.3Å; D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.19Å; D394-L397 PolarHBondContact O-N 3.33Å; D394-A398 PolarHBondContact O-N 3.35Å
395D97.1Very high96.5Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-66.4-36.4176-72.2-24.4000111.7R190 P244 L245 L392 A398 H399 Y405R190-D395 IonicContact CZ-OD1 2.66Å; R190-D395 VanDerWaalsContact CZ-OD1 3.23Å; R190-D395 IonicContact CZ-OD2 3.03Å; R190-D395 IonicContact NE-OD1 2.79Å; R190-D395 IonicContact NE-OD2 2.85Å; R190-D395 IonicContact NH2-OD1 3.97Å; R190-D395 PolarHBondContact NH2-OD1 3.32Å; R190-D395 IonicContact NH2-OD2 2.81Å; R190-D395 PolarHBondContact NH2-OD2 3.12Å; P244-D395 HydrophobicContact CB-CB 4.31Å; L245-D395 WeakPolarHBondContact CB-OD2 3.36Å; L245-D395 WeakPolarHBondContact CG-OD2 3.47Å; L245-D395 PolarHBondContact N-OD2 3.27Å; L392-D395 PolarHBondContact O-N 2.83Å; L392-D395 VanDerWaalsContact O-N 3.11Å; D395-A398 PolarHBondContact O-N 2.86Å; D395-H399 WeakPolarHBondContact O-CB 3.28Å; D395-H399 PolarHBondContact O-CD2 2.92Å; D395-H399 VanDerWaalsContact O-CD2 3.29Å; D395-H399 PolarHBondContact O-N 3.07Å; D395-Y405 HydrophobicContact CB-CE2 4.11Å
396V97.2Very high96.5Very high0 Ų016.7 Ų16.70%010%0.101CC..Hα-helixtrans-67.6-37.6178.4167.10000111.9L349 Y355 L392 P393 D394 A398 G400 L402 Y405L349-V396 HydrophobicContact CB-CG2 4.1Å; L349-V396 HydrophobicContact CD1-CG2 4.42Å; L349-V396 HydrophobicContact CD2-CB 4.25Å; L349-V396 HydrophobicContact CD2-CG1 3.95Å; L349-V396 HydrophobicContact CD2-CG2 4.15Å; L349-V396 HydrophobicContact CG-CG2 4.44Å; Y355-V396 HydrophobicContact CD2-CG1 3.4Å; Y355-V396 HydrophobicContact CE2-CG1 4.27Å; Y355-V396 HydrophobicContact CG-CG1 4.09Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 3.03Å; P393-V396 PolarHBondContact O-N 3.18Å; D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.19Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-G400 VanDerWaalsContact CA-O 3.28Å; V396-G400 WeakPolarHBondContact CA-O 3.31Å; V396-G400 CarbonylContact O-C 3.6Å; V396-G400 WeakPolarHBondContact O-CA 3.39Å; V396-G400 PolarHBondContact O-N 2.96Å; V396-G400 VanDerWaalsContact O-O 3.13Å; V396-L402 HydrophobicContact CG2-CD2 3.66Å; V396-L402 HydrophobicContact CG2-CG 4.36Å; V396-Y405 HydrophobicContact CG2-CE1 4.25Å; V396-Y405 WeakPolarHBondContact CG2-OH 3.28Å
397L95.7Very high96.5Very high92 Ų9216.7 Ų16.748%0.48210%0.101SC..Hα-helixtrans-65.1-37.3172.5-70.9171.8000112.1T359 P393 D394T359-L397 HydrophobicContact CG2-CD1 3.83Å; T359-L397 HydrophobicContact CG2-CD2 3.96Å; T359-L397 HydrophobicContact CG2-CG 3.68Å; P393-L397 WeakPolarHBondContact O-CG 3.48Å; P393-L397 PolarHBondContact O-N 2.96Å; D394-L397 PolarHBondContact O-N 3.33Å
398A95Very high96.4Very high46 Ų4619 Ų1938%0.3811%0.111SC..Hα-helixtrans-78.8-38.3-176.900000113.5D394 D395 V396D394-A398 PolarHBondContact O-N 3.35Å; D395-A398 PolarHBondContact O-N 2.86Å; V396-A398 VanDerWaalsContact C-N 3.32Å
399H95.9Very high96.3Very high18 Ų1820.5 Ų20.58%0.08312%0.121CC..Hα-helixtrans-117.9-6-167.4-59.6-66.5000114.6T164 L241 D395 S404 Y405T164-H399 PolarHBondContact O-CE1 3.49Å; L241-H399 PolarHBondContact O-CE1 3.12Å; L241-H399 PolarHBondContact O-NE2 3.33Å; D395-H399 WeakPolarHBondContact O-CB 3.28Å; D395-H399 PolarHBondContact O-CD2 2.92Å; D395-H399 VanDerWaalsContact O-CD2 3.29Å; D395-H399 PolarHBondContact O-N 3.07Å; H399-S404 PolarHBondContact O-OG 3.39Å; H399-Y405 HydrophobicContact CB-CD1 3.5Å; H399-Y405 VanDerWaalsContact CB-CD1 3.5Å; H399-Y405 HydrophobicContact CB-CE1 4.17Å; H399-Y405 HydrophobicContact CB-CG 3.92Å
400G95.5Very high96.2Very high8 Ų820.6 Ų20.68%0.08212%0.122CC..  trans92.6-164.6-174.700000113V396 Y405V396-G400 VanDerWaalsContact CA-O 3.28Å; V396-G400 WeakPolarHBondContact CA-O 3.31Å; V396-G400 CarbonylContact O-C 3.6Å; V396-G400 WeakPolarHBondContact O-CA 3.39Å; V396-G400 PolarHBondContact O-N 2.96Å; V396-G400 VanDerWaalsContact O-O 3.13Å; G400-Y405 WeakPolarHBondContact O-CE1 3.25Å
401P96.3Very high96.1Very high28 Ų2823 Ų2318%0.18213%0.133CC..SBendtrans-63.3155.3-173.627.8-35.6000112.2L349 Y355 D403 S404L349-P401 CarbonylContact O-C 3.47Å; L349-P401 WeakPolarHBondContact O-CA 3.4Å; Y355-P401 HydrophobicContact CD1-CB 4.15Å; Y355-P401 HydrophobicContact CD1-CG 4.43Å; Y355-P401 HydrophobicContact CG-CB 4.31Å; P401-D403 PolarHBondContact O-N 3.19Å; P401-S404 WeakPolarHBondContact O-CB 3.31Å; P401-S404 PolarHBondContact O-N 3.48Å; P401-S404 PolarHBondContact O-OG 2.85Å
402L96.6Very high95.9Very high0 Ų026 Ų260%016%0.155CC..THydrogen-bonded Turntrans-44.8-38.9-172.3-66.7-179.7000115.5P247 M346 L349 A350 L392 V396 S404 Y405P247-L402 HydrophobicContact CB-CB 4.26Å; P247-L402 HydrophobicContact CB-CD2 4.36Å; P247-L402 HydrophobicContact CG-CB 4.12Å; P247-L402 HydrophobicContact CG-CD2 3.92Å; P247-L402 WeakPolarHBondContact CG-O 3.43Å; M346-L402 HydrophobicContact CB-CD1 4.24Å; M346-L402 WeakPolarHBondContact O-CD1 3.47Å; M346-L402 HydrophobicContact SD-CD1 3.79Å; L349-L402 HydrophobicContact CB-CD1 3.92Å; L349-L402 HydrophobicContact CB-CD2 4.12Å; L349-L402 HydrophobicContact CB-CG 3.75Å; L349-L402 PolarHBondContact O-N 2.74Å; A350-L402 HydrophobicContact CB-CB 4.12Å; A350-L402 HydrophobicContact CB-CD1 4.23Å; A350-L402 HydrophobicContact CB-CG 4.38Å; L392-L402 HydrophobicContact CD1-CD2 4.41Å; L392-L402 HydrophobicContact CD2-CD2 4.08Å; V396-L402 HydrophobicContact CG2-CD2 3.66Å; V396-L402 HydrophobicContact CG2-CG 4.36Å; L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.38Å; L402-Y405 VanDerWaalsContact CD2-OH 3.31Å; L402-Y405 WeakPolarHBondContact CD2-OH 3.46Å
403D93.1Very high95.8Very high45 Ų4527.2 Ų27.224%0.24116%0.159CC..THydrogen-bonded Turntrans-71.2-23-177.7-70-31.5000113.2R316 P401 Y405 S406R316-D403 IonicContact CZ-OD1 2.65Å; R316-D403 IonicContact CZ-OD2 2.79Å; R316-D403 IonicContact NE-OD1 3.16Å; R316-D403 PolarHBondContact NE-OD1 3.39Å; R316-D403 VanDerWaalsContact NE-OD1 3.08Å; R316-D403 IonicContact NE-OD2 3.54Å; R316-D403 IonicContact NH2-OD1 3.68Å; R316-D403 IonicContact NH2-OD2 3.82Å; R316-D403 PolarHBondContact NH2-OD2 3.04Å; P401-D403 PolarHBondContact O-N 3.19Å; D403-Y405 VanDerWaalsContact C-N 3.33Å; D403-Y405 PolarHBondContact O-N 3.29Å; D403-S406 PolarHBondContact O-N 2.96Å; D403-S406 PolarHBondContact O-OG 2.86Å
404S94.4Very high95.6Very high44 Ų4427.3 Ų27.331%0.30816%0.16SC..THydrogen-bonded Turntrans-63.7-37.5-174.869.50000112.2Y85 H399 P401 L402Y85-S404 WeakPolarHBondContact CE2-O 3.31Å; H399-S404 PolarHBondContact O-OG 3.39Å; P401-S404 WeakPolarHBondContact O-CB 3.31Å; P401-S404 PolarHBondContact O-N 3.48Å; P401-S404 PolarHBondContact O-OG 2.85Å; L402-S404 VanDerWaalsContact C-N 3.3Å; L402-S404 PolarHBondContact O-N 3.38Å
405Y96.6Very high95.4Very high1 Ų132.8 Ų32.80%0.00418%0.177CC..THydrogen-bonded Turntrans-110.821.8-179.362.8-88.4000113.1I167 P244 L245 P247 D395 V396 H399 G400 L402 D403I167-Y405 WeakPolarHBondContact CD1-O 3.27Å; P244-Y405 HydrophobicContact CB-CD2 3.61Å; P244-Y405 HydrophobicContact CB-CE2 3.97Å; P244-Y405 HydrophobicContact CB-CG 4.3Å; P244-Y405 HydrophobicContact CG-CD2 4.03Å; P244-Y405 HydrophobicContact CG-CG 4.47Å; L245-Y405 WeakPolarHBondContact O-CE2 3.17Å; P247-Y405 VanDerWaalsContact CD-CE2 3.5Å; P247-Y405 HydrophobicContact CG-CD2 4.1Å; P247-Y405 HydrophobicContact CG-CE2 3.49Å; P247-Y405 VanDerWaalsContact CG-CE2 3.49Å; D395-Y405 HydrophobicContact CB-CE2 4.11Å; V396-Y405 HydrophobicContact CG2-CE1 4.25Å; V396-Y405 WeakPolarHBondContact CG2-OH 3.28Å; H399-Y405 HydrophobicContact CB-CD1 3.5Å; H399-Y405 VanDerWaalsContact CB-CD1 3.5Å; H399-Y405 HydrophobicContact CB-CE1 4.17Å; H399-Y405 HydrophobicContact CB-CG 3.92Å; G400-Y405 WeakPolarHBondContact O-CE1 3.25Å; L402-Y405 VanDerWaalsContact CD2-OH 3.31Å; L402-Y405 WeakPolarHBondContact CD2-OH 3.46Å; D403-Y405 VanDerWaalsContact C-N 3.33Å; D403-Y405 PolarHBondContact O-N 3.29Å
406S97.1Very high95Very high6 Ų638.1 Ų38.14%0.04220%0.203CC..  trans-77.9151.4176.970.50000113.2D246 D403 F408 P409D246-S406 WeakPolarHBondContact OD1-CA 3.44Å; D403-S406 PolarHBondContact O-N 2.96Å; D403-S406 PolarHBondContact O-OG 2.86Å; S406-F408 VanDerWaalsContact C-N 3.27Å; S406-F408 PolarHBondContact O-N 3.24Å; S406-P409 VanDerWaalsContact O-CD 3.25Å; S406-P409 WeakPolarHBondContact O-CD 3.5Å
407A97.5Very high94.7Very high1 Ų138.4 Ų38.41%0.00820%0.204CC..SBendtrans-75.2-7.1178.300000114.8I167 D246 M248 P409 F410 E411I167-A407 HydrophobicContact CG2-CB 4.13Å; D246-A407 PolarHBondContact OD1-N 3.2Å; D246-A407 WeakPolarHBondContact OD2-CB 3.34Å; M248-A407 HydrophobicContact CB-CB 4.41Å; M248-A407 HydrophobicContact CE-CB 3.68Å; M248-A407 HydrophobicContact SD-CB 4.21Å; A407-P409 VanDerWaalsContact C-CD 3.43Å; A407-F410 PolarHBondContact O-N 3.19Å; A407-E411 PolarHBondContact O-N 3.34Å
408F95.6Very high94.3Very high49 Ų4937.7 Ų37.722%0.21520%0.197CC..Hα-helixtrans-50.3-44.9-176.6-78.4-70000115.2M248 Y252 A312 S406 F410 S412M248-F408 HydrophobicContact CB-CD2 4.15Å; M248-F408 HydrophobicContact CB-CE2 4.07Å; M248-F408 HydrophobicContact CB-CZ 4.41Å; M248-F408 HydrophobicContact CG-CD1 3.98Å; M248-F408 HydrophobicContact CG-CD2 4.06Å; M248-F408 HydrophobicContact CG-CE1 3.79Å; M248-F408 HydrophobicContact CG-CE2 3.87Å; M248-F408 HydrophobicContact CG-CG 4.11Å; M248-F408 HydrophobicContact CG-CZ 3.73Å; M248-F408 HydrophobicContact SD-CB 4.4Å; M248-F408 HydrophobicContact SD-CD1 3.6Å; M248-F408 HydrophobicContact SD-CD2 4.35Å; M248-F408 HydrophobicContact SD-CE1 3.94Å; M248-F408 HydrophobicContact SD-CG 3.83Å; M248-F408 HydrophobicContact SD-CZ 4.44Å; Y252-F408 AromaticContact CD2-CE2 3.78Å; Y252-F408 HydrophobicContact CD2-CE2 3.78Å; Y252-F408 AromaticContact CD2-CZ 3.88Å; Y252-F408 HydrophobicContact CD2-CZ 3.88Å; Y252-F408 AromaticContact CE2-CE2 3.72Å; Y252-F408 HydrophobicContact CE2-CE2 3.72Å; Y252-F408 HydrophobicContact CE2-CZ 4.24Å; A312-F408 HydrophobicContact CB-CE1 3.61Å; A312-F408 HydrophobicContact CB-CZ 3.77Å; S406-F408 VanDerWaalsContact C-N 3.27Å; S406-F408 PolarHBondContact O-N 3.24Å; F408-F410 VanDerWaalsContact C-N 3.34Å; F408-S412 WeakPolarHBondContact O-CB 3.11Å; F408-S412 PolarHBondContact O-N 3.39Å; F408-S412 VanDerWaalsContact O-N 3.07Å; F408-S412 PolarHBondContact O-OG 2.84Å
409P95.3Very high93.8Very high32 Ų3241 Ų4121%0.20820%0.204CC..Hα-helixtrans-65.6-38.3179.4-19.433.5000112V116 S406 A407 S412 Y413V116-P409 HydrophobicContact CG2-CB 3.91Å; S406-P409 VanDerWaalsContact O-CD 3.25Å; S406-P409 WeakPolarHBondContact O-CD 3.5Å; A407-P409 VanDerWaalsContact C-CD 3.43Å; P409-S412 PolarHBondContact O-N 3.11Å; P409-Y413 PolarHBondContact O-N 3.01Å
410F97Very high93.1Very high3 Ų341.4 Ų41.41%0.01321%0.21CC..Hα-helixtrans-71.9-42.4-179.4-57.3-74.1000111.6N87 L105 R107 V116 I167 A407 F408 S412 Y413 M414N87-F410 HydrophobicContact CB-CB 4Å; N87-F410 HydrophobicContact CB-CD1 3.34Å; N87-F410 HydrophobicContact CB-CD2 3.78Å; N87-F410 HydrophobicContact CB-CE1 3.6Å; N87-F410 HydrophobicContact CB-CE2 4.03Å; N87-F410 HydrophobicContact CB-CG 3.42Å; N87-F410 VanDerWaalsContact CB-CG 3.42Å; N87-F410 HydrophobicContact CB-CZ 3.94Å; N87-F410 WeakPolarHBondContact OD1-CB 3.39Å; L105-F410 HydrophobicContact CB-CD1 3.9Å; L105-F410 HydrophobicContact CB-CE1 4.32Å; L105-F410 HydrophobicContact CD1-CB 4.19Å; L105-F410 HydrophobicContact CD1-CD1 4.17Å; R107-F410 HydrophobicContact CB-CE1 4.03Å; R107-F410 HydrophobicContact CB-CZ 4.03Å; V116-F410 HydrophobicContact CG1-CD1 3.71Å; V116-F410 HydrophobicContact CG1-CE1 4.12Å; V116-F410 HydrophobicContact CG2-CD1 3.94Å; V116-F410 HydrophobicContact CG2-CE1 4.11Å; I167-F410 HydrophobicContact CB-CE2 4.11Å; I167-F410 HydrophobicContact CG1-CE2 3.96Å; I167-F410 HydrophobicContact CG2-CD2 4.43Å; I167-F410 HydrophobicContact CG2-CE2 4.38Å; A407-F410 PolarHBondContact O-N 3.19Å; F408-F410 VanDerWaalsContact C-N 3.34Å; F410-S412 VanDerWaalsContact C-N 3.31Å; F410-S412 PolarHBondContact O-N 3.02Å; F410-Y413 CarbonylContact O-C 3.58Å; F410-Y413 PolarHBondContact O-N 2.9Å; F410-Y413 VanDerWaalsContact O-N 3.15Å; F410-M414 WeakPolarHBondContact O-CG 3.44Å; F410-M414 PolarHBondContact O-N 3.35Å
411E94.9Very high92.6Very high68 Ų6841.9 Ų41.932%0.31821%0.211SC..Hα-helixtrans-57.4-43.4171.1-80.1-64152.400112.6M248 H249 A407 Y413 M414 R415M248-E411 HydrophobicContact CE-CG 3.48Å; M248-E411 VanDerWaalsContact CE-CG 3.48Å; M248-E411 HydrophobicContact SD-CG 3.9Å; H249-E411 IonicContact CE1-OE1 3.06Å; A407-E411 PolarHBondContact O-N 3.34Å; E411-Y413 VanDerWaalsContact C-N 3.3Å; E411-Y413 PolarHBondContact O-N 2.98Å; E411-M414 VanDerWaalsContact CD-CE 3.44Å; E411-M414 HydrophobicContact CG-CE 4.16Å; E411-M414 PolarHBondContact O-N 2.93Å; E411-M414 WeakPolarHBondContact OE1-CE 3.44Å; E411-R415 PolarHBondContact O-N 3.18Å
412S93Very high91.7Very high69 Ų6947.2 Ų47.248%0.48323%0.233SC..Hα-helixtrans-62.8-39.9177.4-59.40000111.1F408 P409 F410 R415 Q416F408-S412 WeakPolarHBondContact O-CB 3.11Å; F408-S412 PolarHBondContact O-N 3.39Å; F408-S412 VanDerWaalsContact O-N 3.07Å; F408-S412 PolarHBondContact O-OG 2.84Å; P409-S412 PolarHBondContact O-N 3.11Å; F410-S412 VanDerWaalsContact C-N 3.31Å; F410-S412 PolarHBondContact O-N 3.02Å; S412-R415 WeakPolarHBondContact O-CB 3.38Å; S412-Q416 PolarHBondContact O-N 3.03Å
413Y94.8Very high90.8Very high25 Ų2550 Ų5010%0.09825%0.252CS..Hα-helixtrans-70.3-40.6175.3-170.7-98.7000112.7L105 V116 M118 P409 F410 E411 R415 Q416 I417 Y435L105-Y413 HydrophobicContact CD1-CD1 3.83Å; L105-Y413 HydrophobicContact CD2-CD1 3.62Å; L105-Y413 HydrophobicContact CD2-CE1 3.57Å; L105-Y413 HydrophobicContact CG-CD1 4.36Å; V116-Y413 HydrophobicContact CB-CD2 4.06Å; V116-Y413 HydrophobicContact CB-CG 3.93Å; V116-Y413 HydrophobicContact CG1-CD1 3.8Å; V116-Y413 HydrophobicContact CG1-CD2 4.19Å; V116-Y413 HydrophobicContact CG1-CE1 4.44Å; V116-Y413 HydrophobicContact CG1-CG 3.65Å; V116-Y413 VanDerWaalsContact O-CE2 3.24Å; V116-Y413 WeakPolarHBondContact O-CE2 3.47Å; M118-Y413 HydrophobicContact CB-CE1 4.26Å; M118-Y413 HydrophobicContact CE-CE1 4.34Å; P409-Y413 PolarHBondContact O-N 3.01Å; F410-Y413 CarbonylContact O-C 3.58Å; F410-Y413 PolarHBondContact O-N 2.9Å; F410-Y413 VanDerWaalsContact O-N 3.15Å; E411-Y413 VanDerWaalsContact C-N 3.3Å; E411-Y413 PolarHBondContact O-N 2.98Å; Y413-R415 PolarHBondContact O-N 3.41Å; Y413-Q416 WeakPolarHBondContact O-CA 3.5Å; Y413-Q416 VanDerWaalsContact O-CB 3.3Å; Y413-Q416 WeakPolarHBondContact O-CB 3.28Å; Y413-Q416 PolarHBondContact O-N 2.7Å; Y413-I417 HydrophobicContact CD1-CD1 3.86Å; Y413-I417 HydrophobicContact CD1-CG1 4.06Å; Y413-I417 HydrophobicContact CE1-CD1 3.78Å; Y413-I417 HydrophobicContact CE1-CG1 3.88Å; Y413-I417 PolarHBondContact O-N 3.01Å; Y413-Y435 WeakPolarHBondContact OH-CD2 3.28Å; Y413-Y435 WeakPolarHBondContact OH-CE2 3.47Å
414M93.3Very high90.1Very high2 Ų250.4 Ų50.41%0.0127%0.267CS..Hα-helixtrans-59-35.4175-75.7-165.5-73.700112.2D89 L91 P103 L105 F410 E411 I417 K418D89-M414 HydrophobicContact CB-CE 4.05Å; D89-M414 HydrophobicContact CB-SD 4.2Å; L91-M414 HydrophobicContact CB-SD 4.28Å; L91-M414 HydrophobicContact CD1-CB 4.33Å; L91-M414 HydrophobicContact CD2-CB 4.28Å; L91-M414 WeakPolarHBondContact CD2-O 3.45Å; P103-M414 HydrophobicContact CG-CG 4.03Å; P103-M414 HydrophobicContact CG-SD 4Å; L105-M414 HydrophobicContact CD1-CG 3.99Å; F410-M414 WeakPolarHBondContact O-CG 3.44Å; F410-M414 PolarHBondContact O-N 3.35Å; E411-M414 VanDerWaalsContact CD-CE 3.44Å; E411-M414 HydrophobicContact CG-CE 4.16Å; E411-M414 PolarHBondContact O-N 2.93Å; E411-M414 WeakPolarHBondContact OE1-CE 3.44Å; M414-I417 WeakPolarHBondContact O-CB 3.1Å; M414-I417 PolarHBondContact O-N 3.42Å; M414-K418 PolarHBondContact O-N 3.41Å
415R90.5Very high89.4Confident151 Ų15157.1 Ų57.157%0.5729%0.287SS*.Hα-helixtrans-61.9-41170.6-177.1179.3172-173.8-4.1112.3E411 S412 Y413 K418 E419E411-R415 PolarHBondContact O-N 3.18Å; S412-R415 WeakPolarHBondContact O-CB 3.38Å; Y413-R415 PolarHBondContact O-N 3.41Å; R415-K418 WeakPolarHBondContact O-CB 3.16Å; R415-K418 PolarHBondContact O-N 3.47Å; R415-E419 IonicContact CZ-OE1 3.56Å; R415-E419 IonicContact NE-OE1 3.42Å; R415-E419 PolarHBondContact NE-OE1 3.11Å; R415-E419 IonicContact NH2-OE1 2.69Å; R415-E419 PolarHBondContact NH2-OE1 3.07Å; R415-E419 VanDerWaalsContact NH2-OE1 3.16Å; R415-E419 WeakPolarHBondContact O-CG 3.26Å; R415-E419 PolarHBondContact O-N 3.18Å
416Q90.1Very high88.8Confident113 Ų11359.2 Ų59.253%0.52830%0.302SS..Hα-helixtrans-64-40.9175.7-60.8174.434.300111.4S412 Y413 K418 E419 S420S412-Q416 PolarHBondContact O-N 3.03Å; Y413-Q416 WeakPolarHBondContact O-CA 3.5Å; Y413-Q416 VanDerWaalsContact O-CB 3.3Å; Y413-Q416 WeakPolarHBondContact O-CB 3.28Å; Y413-Q416 PolarHBondContact O-N 2.7Å; Q416-K418 VanDerWaalsContact C-N 3.3Å; Q416-K418 PolarHBondContact O-N 3.34Å; Q416-E419 PolarHBondContact O-N 3.26Å; Q416-S420 WeakPolarHBondContact O-CB 3.34Å; Q416-S420 PolarHBondContact O-N 2.89Å
417I90.4Very high88.3Confident5 Ų559 Ų593%0.02630%0.3CS..Hα-helixtrans-56-49.3172.7-61172.8000109.6L91 L101 P103 L105 M118 I121 Y413 M414 E419 S420 V421 A431L91-I417 HydrophobicContact CD2-CB 4.46Å; L91-I417 HydrophobicContact CD2-CG2 4.43Å; L101-I417 HydrophobicContact CD1-CG2 4.45Å; P103-I417 HydrophobicContact CB-CD1 4.01Å; P103-I417 HydrophobicContact CG-CD1 4.24Å; L105-I417 HydrophobicContact CD2-CD1 4.2Å; M118-I417 HydrophobicContact CE-CD1 3.5Å; M118-I417 HydrophobicContact CE-CG1 3.61Å; M118-I417 HydrophobicContact CE-CG2 4.31Å; I121-I417 HydrophobicContact CD1-CG2 4.08Å; Y413-I417 HydrophobicContact CD1-CD1 3.86Å; Y413-I417 HydrophobicContact CD1-CG1 4.06Å; Y413-I417 HydrophobicContact CE1-CD1 3.78Å; Y413-I417 HydrophobicContact CE1-CG1 3.88Å; Y413-I417 PolarHBondContact O-N 3.01Å; M414-I417 WeakPolarHBondContact O-CB 3.1Å; M414-I417 PolarHBondContact O-N 3.42Å; I417-E419 PolarHBondContact O-N 3.22Å; I417-S420 WeakPolarHBondContact O-CB 3.36Å; I417-S420 PolarHBondContact O-N 3.34Å; I417-S420 VanDerWaalsContact O-N 3.12Å; I417-S420 PolarHBondContact O-OG 2.67Å; I417-V421 PolarHBondContact O-N 2.81Å; I417-A431 HydrophobicContact CG2-CB 3.76Å
418K87.3Confident88Confident77 Ų7759.1 Ų59.134%0.33530%0.302SS..Hα-helixtrans-59.8-43.4179.9-173.7170.4178.6154.50112.8L91 S92 M93 M414 R415 Q416 S420 V421L91-K418 HydrophobicContact CD1-CD 4.42Å; L91-K418 HydrophobicContact CD2-CB 4.24Å; S92-K418 PolarHBondContact O-NZ 2.82Å; M93-K418 HydrophobicContact CE-CG 3.98Å; M93-K418 WeakPolarHBondContact O-CE 3.12Å; M93-K418 PolarHBondContact O-NZ 2.84Å; M93-K418 HydrophobicContact SD-CG 4.23Å; M414-K418 PolarHBondContact O-N 3.41Å; R415-K418 WeakPolarHBondContact O-CB 3.16Å; R415-K418 PolarHBondContact O-N 3.47Å; Q416-K418 VanDerWaalsContact C-N 3.3Å; Q416-K418 PolarHBondContact O-N 3.34Å; K418-S420 PolarHBondContact O-N 3.14Å; K418-V421 PolarHBondContact O-N 3.42Å
419E85.4Confident87.8Confident116 Ų11661 Ų6154%0.54231%0.31SS..Hα-helixtrans-68.7-23.1178.3-71.5171.3179.200112.4R415 Q416 I417R415-E419 IonicContact CZ-OE1 3.56Å; R415-E419 IonicContact NE-OE1 3.42Å; R415-E419 PolarHBondContact NE-OE1 3.11Å; R415-E419 IonicContact NH2-OE1 2.69Å; R415-E419 PolarHBondContact NH2-OE1 3.07Å; R415-E419 VanDerWaalsContact NH2-OE1 3.16Å; R415-E419 WeakPolarHBondContact O-CG 3.26Å; R415-E419 PolarHBondContact O-N 3.18Å; Q416-E419 PolarHBondContact O-N 3.26Å; I417-E419 PolarHBondContact O-N 3.22Å
420S81.6Confident87.6Confident27 Ų2761.4 Ų61.419%0.18931%0.309CS..Hα-helixtrans-78.2-16.6176.982.30000114.6Q416 I417 K418Q416-S420 WeakPolarHBondContact O-CB 3.34Å; Q416-S420 PolarHBondContact O-N 2.89Å; I417-S420 WeakPolarHBondContact O-CB 3.36Å; I417-S420 PolarHBondContact O-N 3.34Å; I417-S420 VanDerWaalsContact O-N 3.12Å; I417-S420 PolarHBondContact O-OG 2.67Å; K418-S420 PolarHBondContact O-N 3.14Å
421V82.9Confident87.3Confident18 Ų1861.3 Ų61.311%0.10931%0.308CS..  trans-88.9126.5179.8178.20000109.8M93 I417 K418 S423 V427 Q430 A431M93-V421 HydrophobicContact CE-CB 3.71Å; M93-V421 HydrophobicContact CE-CG1 3.87Å; M93-V421 HydrophobicContact CE-CG2 4.06Å; I417-V421 PolarHBondContact O-N 2.81Å; K418-V421 PolarHBondContact O-N 3.42Å; V421-S423 WeakPolarHBondContact CG1-O 3.25Å; V421-V427 HydrophobicContact CB-CG1 4.36Å; V421-V427 HydrophobicContact CG1-CB 4.34Å; V421-V427 HydrophobicContact CG1-CG1 3.87Å; V421-V427 HydrophobicContact CG1-CG2 4.27Å; V421-V427 HydrophobicContact CG2-CG1 3.78Å; V421-Q430 HydrophobicContact CG1-CB 4.47Å; V421-Q430 HydrophobicContact CG2-CB 4.47Å; V421-A431 HydrophobicContact CG2-CB 4.31Å
422H77.5Confident87.2Confident140 Ų14058 Ų5865%0.64829%0.293SS*.  trans-98.4-21.6-175.6-66.5-50.8000114.4
423S78.8Confident87Confident58 Ų5857.3 Ų57.341%0.40628%0.282SS..SBendtrans-137.4156.5177.581.90000111.9V421 Y425 Q430V421-S423 WeakPolarHBondContact CG1-O 3.25Å; S423-Y425 PolarHBondContact O-N 3.14Å; S423-Y425 PolarHBondContact OG-N 2.92Å; S423-Q430 PolarHBondContact O-NE2 2.85Å; S423-Q430 PolarHBondContact OG-NE2 3.43Å
424G77.8Confident86.7Confident54 Ų5458.9 Ų58.956%0.55729%0.288SS*.SBendtrans-70.4-3.7175.500000114.7V427G424-V427 WeakPolarHBondContact O-CG2 3.43Å
425Y79.4Confident86.5Confident185 Ų18559.3 Ų59.373%0.72529%0.289SS*.SBendtrans-92.7132.1-177.4178.7-100.2000111.6S423 V427 Q430S423-Y425 PolarHBondContact O-N 3.14Å; S423-Y425 PolarHBondContact OG-N 2.92Å; Y425-V427 VanDerWaalsContact C-N 3.26Å; Y425-V427 PolarHBondContact O-N 2.86Å; Y425-Q430 PolarHBondContact O-NE2 3.33Å
426S83.7Confident86.3Confident45 Ų4552.9 Ų52.932%0.31527%0.269SS..SBendtrans47.547.7178.3-61.10000113.5A428 K429 Q430S426-A428 VanDerWaalsContact C-N 3.34Å; S426-A428 PolarHBondContact O-N 2.92Å; S426-K429 VanDerWaalsContact O-CB 3.31Å; S426-K429 WeakPolarHBondContact O-CB 3.25Å; S426-K429 PolarHBondContact O-N 2.88Å; S426-Q430 PolarHBondContact O-N 2.7Å; S426-Q430 VanDerWaalsContact O-N 3.07Å
427V88.3Confident86Confident0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-54.7-46.6-172.9177.20000112.2M93 Q99 L101 V421 G424 Y425 K429 Q430 A431M93-V427 HydrophobicContact CE-CG1 3.83Å; M93-V427 HydrophobicContact CG-CB 4.41Å; M93-V427 HydrophobicContact CG-CG1 3.53Å; M93-V427 HydrophobicContact CG-CG2 4.22Å; M93-V427 HydrophobicContact SD-CG1 3.5Å; M93-V427 WeakPolarHBondContact SD-CG1 3.32Å; Q99-V427 HydrophobicContact CB-CG2 4.5Å; Q99-V427 HydrophobicContact CG-CG2 4.49Å; L101-V427 HydrophobicContact CD1-CG1 3.47Å; L101-V427 VanDerWaalsContact CD1-CG1 3.47Å; L101-V427 HydrophobicContact CD2-CB 4.07Å; L101-V427 HydrophobicContact CD2-CG1 3.66Å; L101-V427 HydrophobicContact CG-CG1 3.72Å; V421-V427 HydrophobicContact CB-CG1 4.36Å; V421-V427 HydrophobicContact CG1-CB 4.34Å; V421-V427 HydrophobicContact CG1-CG1 3.87Å; V421-V427 HydrophobicContact CG1-CG2 4.27Å; V421-V427 HydrophobicContact CG2-CG1 3.78Å; G424-V427 WeakPolarHBondContact O-CG2 3.43Å; Y425-V427 VanDerWaalsContact C-N 3.26Å; Y425-V427 PolarHBondContact O-N 2.86Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 3.36Å; V427-Q430 PolarHBondContact O-N 2.91Å; V427-A431 PolarHBondContact O-N 3.13Å
428A91.2Very high85.6Confident5 Ų553.2 Ų53.24%0.04127%0.27CS..Hα-helixtrans-62.9-37.5179.500000112.4Y58 L101 I121 S426 A431 A432Y58-A428 HydrophobicContact CD2-CB 3.98Å; Y58-A428 HydrophobicContact CE2-CB 4.07Å; L101-A428 HydrophobicContact CD2-CB 3.73Å; I121-A428 HydrophobicContact CG1-CB 4.34Å; I121-A428 HydrophobicContact CG2-CB 4.33Å; S426-A428 VanDerWaalsContact C-N 3.34Å; S426-A428 PolarHBondContact O-N 2.92Å; A428-A431 PolarHBondContact O-N 3.36Å; A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.14Å; A428-A432 PolarHBondContact O-N 2.78Å
429K91.6Very high85.3Confident89 Ų8951.2 Ų51.239%0.38726%0.263SS..Hα-helixtrans-62.4-47.8175-171.8-177.7173.2178.80111Y58 S426 V427 A431 A432 Q433Y58-K429 HydrophobicContact CE1-CB 4.34Å; Y58-K429 HydrophobicContact CE1-CG 4.18Å; Y58-K429 HydrophobicContact CE2-CB 3.93Å; Y58-K429 WeakPolarHBondContact OH-CB 3.39Å; S426-K429 VanDerWaalsContact O-CB 3.31Å; S426-K429 WeakPolarHBondContact O-CB 3.25Å; S426-K429 PolarHBondContact O-N 2.88Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 3.36Å; K429-A431 VanDerWaalsContact C-N 3.35Å; K429-A431 PolarHBondContact O-N 2.91Å; K429-A432 PolarHBondContact O-N 3.27Å; K429-Q433 HydrophobicContact CG-CG 4.3Å; K429-Q433 WeakPolarHBondContact O-CB 3.47Å; K429-Q433 VanDerWaalsContact O-CG 3.29Å; K429-Q433 WeakPolarHBondContact O-CG 3.45Å; K429-Q433 PolarHBondContact O-N 2.86Å
430Q90.2Very high84.9Confident39 Ų3947.3 Ų47.318%0.18225%0.248CC..Hα-helixtrans-57.7-49178.4-72.518064.700110.8V421 S423 Y425 S426 V427 R434V421-Q430 HydrophobicContact CG1-CB 4.47Å; V421-Q430 HydrophobicContact CG2-CB 4.47Å; S423-Q430 PolarHBondContact O-NE2 2.85Å; S423-Q430 PolarHBondContact OG-NE2 3.43Å; Y425-Q430 PolarHBondContact O-NE2 3.33Å; S426-Q430 PolarHBondContact O-N 2.7Å; S426-Q430 VanDerWaalsContact O-N 3.07Å; V427-Q430 PolarHBondContact O-N 2.91Å; Q430-R434 VanDerWaalsContact O-CB 3.24Å; Q430-R434 WeakPolarHBondContact O-CB 3.4Å; Q430-R434 PolarHBondContact O-N 3.17Å
431A91.2Very high84.4Confident1 Ų146.4 Ų46.41%0.00824%0.241CC..Hα-helixtrans-61-46.6177.900000112.5I121 I417 V421 V427 A428 K429 R434 Y435I121-A431 HydrophobicContact CD1-CB 3.79Å; I417-A431 HydrophobicContact CG2-CB 3.76Å; V421-A431 HydrophobicContact CG2-CB 4.31Å; V427-A431 PolarHBondContact O-N 3.13Å; A428-A431 PolarHBondContact O-N 3.36Å; K429-A431 VanDerWaalsContact C-N 3.35Å; K429-A431 PolarHBondContact O-N 2.91Å; A431-R434 PolarHBondContact O-N 3.06Å; A431-Y435 WeakPolarHBondContact O-CB 3.29Å; A431-Y435 PolarHBondContact O-N 2.86Å
432A92.2Very high83.9Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-63.1-46179.500000112.2V47 Y58 L60 I121 A428 K429 Y435 A436V47-A432 HydrophobicContact CB-CB 4.43Å; V47-A432 HydrophobicContact CG1-CB 4.4Å; V47-A432 HydrophobicContact CG2-CB 4.35Å; Y58-A432 HydrophobicContact CD1-CB 4.26Å; Y58-A432 HydrophobicContact CD2-CB 4.39Å; Y58-A432 HydrophobicContact CG-CB 3.84Å; L60-A432 HydrophobicContact CD2-CB 4.29Å; I121-A432 HydrophobicContact CG2-CB 3.93Å; A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.14Å; A428-A432 PolarHBondContact O-N 2.78Å; K429-A432 PolarHBondContact O-N 3.27Å; A432-Y435 PolarHBondContact O-N 3.05Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 2.85Å
433Q89.8Confident83.6Confident54 Ų5445.4 Ų45.425%0.25224%0.243SC..Hα-helixtrans-63.1-44.3177-72.1-178.8-47.700111.1K429 Y435 A436 E437K429-Q433 HydrophobicContact CG-CG 4.3Å; K429-Q433 WeakPolarHBondContact O-CB 3.47Å; K429-Q433 VanDerWaalsContact O-CG 3.29Å; K429-Q433 WeakPolarHBondContact O-CG 3.45Å; K429-Q433 PolarHBondContact O-N 2.86Å; Q433-Y435 VanDerWaalsContact C-N 3.33Å; Q433-Y435 PolarHBondContact O-N 2.88Å; Q433-A436 PolarHBondContact O-N 3.26Å; Q433-E437 VanDerWaalsContact O-CG 3.31Å; Q433-E437 WeakPolarHBondContact O-CG 3.42Å; Q433-E437 PolarHBondContact O-N 3.4Å
434R87.1Confident83.2Confident57 Ų5747.9 Ų47.922%0.21524%0.244CC..Hα-helixtrans-62.6-41.1179-172.654.8167178.20.4112.4Q430 A431 E437 Q438Q430-R434 VanDerWaalsContact O-CB 3.24Å; Q430-R434 WeakPolarHBondContact O-CB 3.4Å; Q430-R434 PolarHBondContact O-N 3.17Å; A431-R434 PolarHBondContact O-N 3.06Å; R434-E437 WeakPolarHBondContact CD-OE2 3.41Å; R434-E437 IonicContact NH1-OE2 2.85Å; R434-E437 PolarHBondContact NH1-OE2 2.85Å; R434-E437 WeakPolarHBondContact O-CB 3.46Å; R434-E437 PolarHBondContact O-N 3.49Å; R434-Q438 WeakPolarHBondContact O-CG 3.43Å; R434-Q438 PolarHBondContact O-N 3.34Å; R434-Q438 VanDerWaalsContact O-N 3.08Å
435Y89.2Confident82.5Confident11 Ų1146 Ų464%0.04322%0.221CC..Hα-helixtrans-64-46.2173.9-177.4-93.4000111.7L60 N65 F117 M118 Y413 A431 A432 Q433 E437 Q438 M439L60-Y435 HydrophobicContact CB-CD1 4.39Å; L60-Y435 HydrophobicContact CB-CE1 4.42Å; L60-Y435 HydrophobicContact CD1-CD1 3.56Å; L60-Y435 HydrophobicContact CD1-CE1 4.16Å; L60-Y435 HydrophobicContact CD1-CG 4.08Å; L60-Y435 HydrophobicContact CD2-CD1 4.16Å; L60-Y435 HydrophobicContact CG-CD1 4.25Å; N65-Y435 PolarHBondContact OD1-OH 3.44Å; F117-Y435 WeakPolarHBondContact CB-OH 3.43Å; M118-Y435 HydrophobicContact CB-CD1 4.29Å; M118-Y435 HydrophobicContact CB-CD2 3.85Å; M118-Y435 HydrophobicContact CB-CE1 4.27Å; M118-Y435 HydrophobicContact CB-CE2 3.85Å; M118-Y435 HydrophobicContact CB-CG 4.06Å; M118-Y435 PolarHBondContact N-OH 3.49Å; Y413-Y435 WeakPolarHBondContact OH-CD2 3.28Å; Y413-Y435 WeakPolarHBondContact OH-CE2 3.47Å; A431-Y435 WeakPolarHBondContact O-CB 3.29Å; A431-Y435 PolarHBondContact O-N 2.86Å; A432-Y435 PolarHBondContact O-N 3.05Å; Q433-Y435 VanDerWaalsContact C-N 3.33Å; Q433-Y435 PolarHBondContact O-N 2.88Å; Y435-E437 VanDerWaalsContact C-N 3.3Å; Y435-E437 PolarHBondContact O-N 3.45Å; Y435-Q438 PolarHBondContact O-N 3.44Å; Y435-Q438 VanDerWaalsContact O-N 3.17Å; Y435-M439 HydrophobicContact CD1-CG 3.87Å; Y435-M439 HydrophobicContact CE1-CG 3.38Å; Y435-M439 HydrophobicContact CE1-SD 4.25Å; Y435-M439 HydrophobicContact CE2-CE 4.1Å; Y435-M439 HydrophobicContact CE2-CG 4.19Å; Y435-M439 HydrophobicContact CE2-SD 4.35Å; Y435-M439 HydrophobicContact CG-CG 4.48Å; Y435-M439 WeakPolarHBondContact O-CG 3.33Å; Y435-M439 PolarHBondContact O-N 2.72Å
436A87.3Confident81.5Confident17 Ų1744.8 Ų44.814%0.1422%0.222CC..Hα-helixtrans-61.8-37.5178.300000112.4T45 V47 L60 A432 Q433 S440T45-A436 WeakPolarHBondContact OG1-CB 3.43Å; V47-A436 HydrophobicContact CG2-CB 3.73Å; L60-A436 HydrophobicContact CD2-CB 4.44Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 2.85Å; Q433-A436 PolarHBondContact O-N 3.26Å; A436-S440 WeakPolarHBondContact O-CB 3.41Å; A436-S440 PolarHBondContact O-N 3.1Å
437E82.7Confident79.8Confident40 Ų4044.9 Ų44.919%0.18722%0.221CC..Hα-helixtrans-59.8-50.1171.4-73.4169.7-171.700111.6T43 Q433 R434 Y435 M439 S440 F441T43-E437 WeakPolarHBondContact CB-OE1 3.47Å; T43-E437 HydrophobicContact CG2-CG 3.93Å; Q433-E437 VanDerWaalsContact O-CG 3.31Å; Q433-E437 WeakPolarHBondContact O-CG 3.42Å; Q433-E437 PolarHBondContact O-N 3.4Å; R434-E437 WeakPolarHBondContact CD-OE2 3.41Å; R434-E437 IonicContact NH1-OE2 2.85Å; R434-E437 PolarHBondContact NH1-OE2 2.85Å; R434-E437 WeakPolarHBondContact O-CB 3.46Å; R434-E437 PolarHBondContact O-N 3.49Å; Y435-E437 VanDerWaalsContact C-N 3.3Å; Y435-E437 PolarHBondContact O-N 3.45Å; E437-M439 VanDerWaalsContact C-N 3.33Å; E437-M439 PolarHBondContact O-N 2.57Å; E437-S440 PolarHBondContact O-N 2.83Å; E437-F441 WeakPolarHBondContact O-CB 3.5Å; E437-F441 PolarHBondContact O-N 3.42Å
438Q81.5Confident77.6Confident85 Ų8550.5 Ų50.540%0.39725%0.251SS..Hα-helixtrans-60.6-42.1179.1-74.5173.7-22.400111.8R434 Y435 F441 C442R434-Q438 WeakPolarHBondContact O-CG 3.43Å; R434-Q438 PolarHBondContact O-N 3.34Å; R434-Q438 VanDerWaalsContact O-N 3.08Å; Y435-Q438 PolarHBondContact O-N 3.44Å; Y435-Q438 VanDerWaalsContact O-N 3.17Å; Q438-F441 WeakPolarHBondContact O-CB 3.33Å; Q438-F441 PolarHBondContact O-N 3.19Å; Q438-C442 PolarHBondContact O-N 3.03Å; Q438-C442 PolarHBondContact O-SG 2.7Å
439M82.7Confident75.3Confident35 Ų3554.4 Ų54.417%0.17227%0.271CS..Hα-helixtrans-68.9-46.9179.3-71.4-56.710200112.6Y435 E437 F441 C442 D443Y435-M439 HydrophobicContact CD1-CG 3.87Å; Y435-M439 HydrophobicContact CE1-CG 3.38Å; Y435-M439 HydrophobicContact CE1-SD 4.25Å; Y435-M439 HydrophobicContact CE2-CE 4.1Å; Y435-M439 HydrophobicContact CE2-CG 4.19Å; Y435-M439 HydrophobicContact CE2-SD 4.35Å; Y435-M439 HydrophobicContact CG-CG 4.48Å; Y435-M439 WeakPolarHBondContact O-CG 3.33Å; Y435-M439 PolarHBondContact O-N 2.72Å; E437-M439 VanDerWaalsContact C-N 3.33Å; E437-M439 PolarHBondContact O-N 2.57Å; M439-F441 PolarHBondContact O-N 3.12Å; M439-C442 PolarHBondContact O-N 2.75Å; M439-C442 VanDerWaalsContact O-N 3.15Å; M439-D443 VanDerWaalsContact O-CG 3.24Å; M439-D443 PolarHBondContact O-N 3.25Å
440S76.4Confident72.5Confident34 Ų3455.7 Ų55.724%0.23828%0.282CS..Hα-helixtrans-57.2-32.2172.9176.10000111.6A436 E437 R444A436-S440 WeakPolarHBondContact O-CB 3.41Å; A436-S440 PolarHBondContact O-N 3.1Å; E437-S440 PolarHBondContact O-N 2.83Å; S440-R444 WeakPolarHBondContact O-CG 3.31Å; S440-R444 PolarHBondContact O-N 3.15Å; S440-R444 PolarHBondContact O-NE 3.2Å; S440-R444 VanDerWaalsContact O-NE 3.09Å
441F70.7Confident69.8Low8 Ų859.3 Ų59.34%0.03531%0.309CS..Hα-helixtrans-70.7-48.1176178.4-100.8000112.9M6 T10 L41 E437 Q438 M439 D443 R444 L445M6-F441 VanDerWaalsContact C-CZ 3.43Å; M6-F441 HydrophobicContact CB-CE2 3.32Å; M6-F441 HydrophobicContact CB-CZ 3.28Å; M6-F441 HydrophobicContact CE-CD2 3.99Å; M6-F441 HydrophobicContact CE-CE2 3.73Å; M6-F441 HydrophobicContact CG-CE2 3.47Å; M6-F441 VanDerWaalsContact CG-CE2 3.47Å; M6-F441 HydrophobicContact CG-CZ 3.99Å; M6-F441 WeakPolarHBondContact O-CZ 3.45Å; M6-F441 HydrophobicContact SD-CD2 3.8Å; M6-F441 HydrophobicContact SD-CE2 3.14Å; M6-F441 WeakPolarHBondContact SD-CE2 3.23Å; M6-F441 HydrophobicContact SD-CZ 3.95Å; T10-F441 HydrophobicContact CG2-CD1 3.52Å; T10-F441 HydrophobicContact CG2-CE1 3.22Å; T10-F441 HydrophobicContact CG2-CZ 4.41Å; L41-F441 HydrophobicContact CD2-CB 4.48Å; L41-F441 HydrophobicContact CD2-CD2 3.48Å; L41-F441 VanDerWaalsContact CD2-CD2 3.48Å; L41-F441 HydrophobicContact CD2-CE2 4.01Å; L41-F441 HydrophobicContact CD2-CG 4.04Å; E437-F441 WeakPolarHBondContact O-CB 3.5Å; E437-F441 PolarHBondContact O-N 3.42Å; Q438-F441 WeakPolarHBondContact O-CB 3.33Å; Q438-F441 PolarHBondContact O-N 3.19Å; M439-F441 PolarHBondContact O-N 3.12Å; F441-D443 VanDerWaalsContact C-N 3.31Å; F441-D443 PolarHBondContact O-N 2.82Å; F441-R444 PolarHBondContact O-N 3.06Å; F441-L445 HydrophobicContact CD1-CD1 4.31Å; F441-L445 HydrophobicContact CE1-CD1 3.33Å; F441-L445 HydrophobicContact CE1-CG 4.06Å; F441-L445 HydrophobicContact CE2-CD1 4.15Å; F441-L445 HydrophobicContact CE2-CG 4.06Å; F441-L445 HydrophobicContact CZ-CD1 3.26Å; F441-L445 HydrophobicContact CZ-CD2 4.29Å; F441-L445 HydrophobicContact CZ-CG 3.67Å; F441-L445 PolarHBondContact O-N 3.08Å
442C72.4Confident67Low59 Ų5965.3 Ų65.340%0.39935%0.345SS..Hα-helixtrans-57.7-42.5174-690000112.3Q438 M439 R444 L445 Q446Q438-C442 PolarHBondContact O-N 3.03Å; Q438-C442 PolarHBondContact O-SG 2.7Å; M439-C442 PolarHBondContact O-N 2.75Å; M439-C442 VanDerWaalsContact O-N 3.15Å; C442-R444 PolarHBondContact O-N 3.19Å; C442-L445 PolarHBondContact O-N 2.67Å; C442-L445 VanDerWaalsContact O-N 3.13Å; C442-Q446 PolarHBondContact O-N 2.8Å
443D72Confident64.3Low77 Ų7773 Ų7341%0.41238%0.384SS..Hα-helixtrans-59.2-35.8178.9-66.4-22.1000111.8R68 M439 F441R68-D443 WeakPolarHBondContact CD-OD1 2.91Å; R68-D443 IonicContact CZ-OD1 3.23Å; R68-D443 IonicContact CZ-OD2 3.08Å; R68-D443 IonicContact NE-OD1 2.7Å; R68-D443 PolarHBondContact NE-OD1 2.71Å; R68-D443 IonicContact NE-OD2 3.75Å; R68-D443 PolarHBondContact NE-OD2 2.99Å; R68-D443 VanDerWaalsContact NE-OD2 3.13Å; R68-D443 IonicContact NH2-OD1 2.75Å; R68-D443 IonicContact NH2-OD2 3.4Å; R68-D443 PolarHBondContact NH2-OD2 3.07Å; M439-D443 VanDerWaalsContact O-CG 3.24Å; M439-D443 PolarHBondContact O-N 3.25Å; F441-D443 VanDerWaalsContact C-N 3.31Å; F441-D443 PolarHBondContact O-N 2.82Å
444R69.7Low62.2Low110 Ų11072.3 Ų72.342%0.41539%0.392SS..Hα-helixtrans-76.7-25.6179.1-73.9-180-71.4-155.57.5114L41 S440 F441 C442L41-R444 PolarHBondContact O-NH1 3.18Å; L41-R444 PolarHBondContact O-NH2 3.18Å; S440-R444 WeakPolarHBondContact O-CG 3.31Å; S440-R444 PolarHBondContact O-N 3.15Å; S440-R444 PolarHBondContact O-NE 3.2Å; S440-R444 VanDerWaalsContact O-NE 3.09Å; F441-R444 PolarHBondContact O-N 3.06Å; C442-R444 PolarHBondContact O-N 3.19Å
445L63.7Low60.3Low15 Ų1578.2 Ų78.28%0.07942%0.42CS..Hα-helixtrans-81.7-26.1-175.8-87.5-172.4000113.3R3 M6 F441 C442 T447R3-L445 HydrophobicContact CB-CD2 4.44Å; R3-L445 HydrophobicContact CG-CD2 4.25Å; M6-L445 HydrophobicContact CB-CD2 4.12Å; F441-L445 HydrophobicContact CD1-CD1 4.31Å; F441-L445 HydrophobicContact CE1-CD1 3.33Å; F441-L445 HydrophobicContact CE1-CG 4.06Å; F441-L445 HydrophobicContact CE2-CD1 4.15Å; F441-L445 HydrophobicContact CE2-CG 4.06Å; F441-L445 HydrophobicContact CZ-CD1 3.26Å; F441-L445 HydrophobicContact CZ-CD2 4.29Å; F441-L445 HydrophobicContact CZ-CG 3.67Å; F441-L445 PolarHBondContact O-N 3.08Å; C442-L445 PolarHBondContact O-N 2.67Å; C442-L445 VanDerWaalsContact O-N 3.13Å; L445-T447 HydrophobicContact CB-CG2 3.89Å; L445-T447 HydrophobicContact CD1-CG2 4.23Å; L445-T447 HydrophobicContact CG-CG2 4.47Å; L445-T447 PolarHBondContact O-N 3.36Å
446Q57.3Low58.5Low159 Ų15979.7 Ų79.774%0.74343%0.434SS*.  trans39.737.8-171.8-66.4-173.2-5.400112.1C442 N448C442-Q446 PolarHBondContact O-N 2.8Å; Q446-N448 PolarHBondContact O-N 2.92Å; Q446-N448 VanDerWaalsContact O-N 3.12Å
447T48.3Very low57.1Low48 Ų4881.2 Ų81.229%0.29444%0.439SS..  trans-75.8110.8-174.540.60000109L445 D449L445-T447 HydrophobicContact CB-CG2 3.89Å; L445-T447 HydrophobicContact CD1-CG2 4.23Å; L445-T447 HydrophobicContact CG-CG2 4.47Å; L445-T447 PolarHBondContact O-N 3.36Å; T447-D449 PolarHBondContact O-N 2.83Å
448N42.7Very low56Low118 Ų11880.5 Ų80.563%0.63144%0.439SS*.  trans-6676.5158.9-75.4-22.5000108.1Q446 N450Q446-N448 PolarHBondContact O-N 2.92Å; Q446-N448 VanDerWaalsContact O-N 3.12Å; N448-N450 PolarHBondContact O-N 3.42Å
449D42.5Very low55.1Low86 Ų8687.5 Ų87.546%0.4646%0.462SS..  trans-71.688.7162.6-64-39.7000106.1R72 T447R72-D449 PolarHBondContact NH2-O 3.13Å; T447-D449 PolarHBondContact O-N 2.83Å
450N32.7Very low54.8Low117 Ų11792.6 Ų92.663%0.62648%0.483SS*.  trans-66.3129.9157.3-77.6-21.2000106.2N448 V452N448-N450 PolarHBondContact O-N 3.42Å; N450-V452 PolarHBondContact O-N 3.21Å
451P33.5Very low55.2Low114 Ų11492.6 Ų92.674%0.7448%0.479SS*.  trans-55.8119172.322.1-29.7000107.7I453P451-I453 PolarHBondContact O-N 2.79Å
452V31.5Very low55.8Low127 Ų12793.9 Ų93.977%0.7749%0.488SS*.  trans-59.5104.9176.7176.60000106.9N450 G454N450-V452 PolarHBondContact O-N 3.21Å; V452-G454 PolarHBondContact O-N 2.92Å
453I36.6Very low56.4Low161 Ų16191.7 Ų91.783%0.82647%0.472SS*.PPolyproline II helixtrans-60.1123.6171.6-61.7175000106.5P451 K455P451-I453 PolarHBondContact O-N 2.79Å; I453-K455 PolarHBondContact O-N 3.46Å
454G44.7Very low57.1Low40 Ų4091.9 Ų91.941%0.41247%0.471SS..PPolyproline II helixtrans-50.2120.6-164.900000113.6V452V452-G454 PolarHBondContact O-N 2.92Å
455K47.2Very low57.8Low182 Ų18287.1 Ų87.179%0.79145%0.454SS*.PPolyproline II helixtrans-72.9127.1161.2-73.5-178.5175.4-179.80107.6I453 D457I453-K455 PolarHBondContact O-N 3.46Å; K455-D457 PolarHBondContact O-N 2.84Å
456A51.5Low58.7Low41 Ų4190.3 Ų90.334%0.33947%0.465SS..PPolyproline II helixtrans-61.2129.3161.600000107.9
457D59.3Low59.8Low49 Ų4990 Ų9026%0.26247%0.468SS..BIsolated β-bridgetrans-105.683.2167-167.6-11000106.4K455 R459 K460 Q461 V462K455-D457 PolarHBondContact O-N 2.84Å; D457-R459 PolarHBondContact O-N 3.33Å; D457-R459 WeakPolarHBondContact OD1-CB 3.15Å; D457-K460 HydrophobicContact CB-CB 4.19Å; D457-K460 HydrophobicContact CB-CD 4.41Å; D457-K460 HydrophobicContact CB-CG 4.35Å; D457-K460 CarbonylContact O-C 3.55Å; D457-K460 WeakPolarHBondContact O-CA 3.32Å; D457-K460 PolarHBondContact O-N 2.94Å; D457-K460 WeakPolarHBondContact OD2-CD 3.49Å; D457-K460 WeakPolarHBondContact OD2-CE 3.29Å; D457-K460 WeakPolarHBondContact OD2-CG 3.42Å; D457-K460 IonicContact OD2-NZ 2.74Å; D457-K460 PolarHBondContact OD2-NZ 3.03Å; D457-Q461 PolarHBondContact O-N 2.89Å; D457-V462 PolarHBondContact N-O 3.04Å; D457-V462 PolarHBondContact O-N 2.95Å
458S59.5Low61.7Low26 Ų2688 Ų8818%0.18246%0.456CS..THydrogen-bonded Turntrans-57.1-29-178.656.90000112.3K460 Q461 D493S458-K460 VanDerWaalsContact C-N 3.26Å; S458-K460 PolarHBondContact O-N 3.26Å; S458-Q461 PolarHBondContact O-N 3.12Å; S458-Q461 VanDerWaalsContact O-N 3.17Å; S458-Q461 PolarHBondContact O-NE2 2.85Å; S458-D493 WeakPolarHBondContact CB-OD1 3.15Å; S458-D493 PolarHBondContact OG-OD1 2.9Å
459R62.3Low63.9Low231 Ų23186.8 Ų86.887%0.87245%0.447SS*.THydrogen-bonded Turntrans-64.8-30.3173.3-68.1-176-109.3-179.9-7.3112.8D457D457-R459 PolarHBondContact O-N 3.33Å; D457-R459 WeakPolarHBondContact OD1-CB 3.15Å
460K75.9Confident66Low143 Ų14382.7 Ų82.762%0.62243%0.425SS*.THydrogen-bonded Turntrans-93.3-9175.4-65.8-174.1-173.8127.90113.1D457 S458 V462D457-K460 HydrophobicContact CB-CB 4.19Å; D457-K460 HydrophobicContact CB-CD 4.41Å; D457-K460 HydrophobicContact CB-CG 4.35Å; D457-K460 CarbonylContact O-C 3.55Å; D457-K460 WeakPolarHBondContact O-CA 3.32Å; D457-K460 PolarHBondContact O-N 2.94Å; D457-K460 WeakPolarHBondContact OD2-CD 3.49Å; D457-K460 WeakPolarHBondContact OD2-CE 3.29Å; D457-K460 WeakPolarHBondContact OD2-CG 3.42Å; D457-K460 IonicContact OD2-NZ 2.74Å; D457-K460 PolarHBondContact OD2-NZ 3.03Å; S458-K460 VanDerWaalsContact C-N 3.26Å; S458-K460 PolarHBondContact O-N 3.26Å; K460-V462 VanDerWaalsContact C-N 3.25Å; K460-V462 HydrophobicContact CB-CB 4.49Å; K460-V462 HydrophobicContact CB-CG2 4.06Å; K460-V462 WeakPolarHBondContact O-CG2 3.47Å; K460-V462 PolarHBondContact O-N 3.42Å
461Q84.4Confident68.6Low33 Ų3378.7 Ų78.715%0.15440%0.403CS..THydrogen-bonded Turntrans54.243.7-172.6-64.6-74.7-55.200112D457 S458 N471 S472 F473 D490 I491D457-Q461 PolarHBondContact O-N 2.89Å; S458-Q461 PolarHBondContact O-N 3.12Å; S458-Q461 VanDerWaalsContact O-N 3.17Å; S458-Q461 PolarHBondContact O-NE2 2.85Å; Q461-N471 WeakPolarHBondContact O-CA 3.27Å; Q461-N471 WeakPolarHBondContact O-CB 3.38Å; Q461-S472 WeakPolarHBondContact CB-OG 3.23Å; Q461-S472 PolarHBondContact O-N 2.86Å; Q461-S472 PolarHBondContact OE1-OG 3.21Å; Q461-F473 HydrophobicContact CB-CE2 3.98Å; Q461-F473 HydrophobicContact CG-CE2 4.4Å; Q461-D490 PolarHBondContact NE2-OD1 2.84Å; Q461-D490 PolarHBondContact OE1-OD1 3.29Å; Q461-D490 VanDerWaalsContact OE1-OD1 3.05Å; Q461-I491 PolarHBondContact NE2-O 3.18Å; Q461-I491 WeakPolarHBondContact O-CD1 3.48Å
462V84.5Confident71.1Confident35 Ų3573.7 Ų73.721%0.21237%0.371CS..EExtended strand (participates in β ladder)trans-127.6135.5178.4-175.50000110.3D457 K460 Q469 I470 N471D457-V462 PolarHBondContact N-O 3.04Å; D457-V462 PolarHBondContact O-N 2.95Å; K460-V462 VanDerWaalsContact C-N 3.25Å; K460-V462 HydrophobicContact CB-CB 4.49Å; K460-V462 HydrophobicContact CB-CG2 4.06Å; K460-V462 WeakPolarHBondContact O-CG2 3.47Å; K460-V462 PolarHBondContact O-N 3.42Å; V462-Q469 HydrophobicContact CG1-CB 4.02Å; V462-Q469 HydrophobicContact CG1-CG 4.3Å; V462-I470 WeakPolarHBondContact CA-O 3.47Å; V462-N471 HydrophobicContact CG2-CB 4.01Å
463I84.9Confident73.7Confident13 Ų1373.8 Ų73.87%0.06736%0.361CS..EExtended strand (participates in β ladder)trans-123.6137.3170.6-166.8164.3000109.9I470 I491 L497 I535I463-I470 HydrophobicContact CG2-CB 3.88Å; I463-I470 HydrophobicContact CG2-CG2 4.35Å; I463-I470 PolarHBondContact N-O 2.81Å; I463-I470 PolarHBondContact O-N 2.71Å; I463-I491 HydrophobicContact CB-CD1 4.2Å; I463-I491 HydrophobicContact CG2-CD1 4.07Å; I463-L497 HydrophobicContact CD1-CD2 4.31Å; I463-L497 HydrophobicContact CG2-CD2 4.08Å; I463-I535 HydrophobicContact CD1-CB 3.86Å; I463-I535 HydrophobicContact CD1-CD1 4.13Å; I463-I535 HydrophobicContact CD1-CG1 3.91Å; I463-I535 HydrophobicContact CD1-CG2 4.27Å; I463-I535 HydrophobicContact CG1-CD1 4.42Å; I463-I535 HydrophobicContact CG1-CG1 4.39Å; I463-I535 HydrophobicContact CG2-CD1 3.95Å
464M85.7Confident76.1Confident82 Ų8273.4 Ų73.440%0.40436%0.356SS..EExtended strand (participates in β ladder)trans-71.5130.7172.3-64.9-60-54.700109.2Q469M464-Q469 HydrophobicContact CE-CG 3.98Å; M464-Q469 HydrophobicContact SD-CG 3.54Å; M464-Q469 VanDerWaalsContact SD-CG 3.54Å
465F84.5Confident78.3Confident10 Ų1072.8 Ų72.84%0.04435%0.345CS..EExtended strand (participates in β ladder)trans-130.2100.3176.1-179.2-111.8000109.1N467 S468 I470 I535 V538F465-N467 PolarHBondContact O-N 3.46Å; F465-S468 CarbonylContact C-O 3.58Å; F465-S468 PolarHBondContact N-O 2.76Å; F465-S468 CarbonylContact O-C 3.49Å; F465-S468 WeakPolarHBondContact O-CA 3.49Å; F465-S468 WeakPolarHBondContact O-CB 3.27Å; F465-S468 PolarHBondContact O-N 3.06Å; F465-I470 HydrophobicContact CB-CD1 3.57Å; F465-I470 HydrophobicContact CB-CG1 3.88Å; F465-I470 HydrophobicContact CD1-CD1 3.79Å; F465-I470 HydrophobicContact CD1-CG1 4.43Å; F465-I470 HydrophobicContact CD2-CD1 4.18Å; F465-I470 HydrophobicContact CG-CD1 3.58Å; F465-I470 HydrophobicContact CG-CG1 4.33Å; F465-I535 HydrophobicContact CB-CD1 4.21Å; F465-I535 HydrophobicContact CD2-CD1 3.62Å; F465-I535 HydrophobicContact CD2-CG1 3.98Å; F465-I535 HydrophobicContact CE2-CD1 4.4Å; F465-I535 HydrophobicContact CG-CD1 4.24Å; F465-V538 HydrophobicContact CD2-CB 4.43Å; F465-V538 HydrophobicContact CD2-CG1 4.46Å; F465-V538 HydrophobicContact CE1-CG1 4.19Å; F465-V538 HydrophobicContact CE2-CB 3.69Å; F465-V538 HydrophobicContact CE2-CG1 3.82Å; F465-V538 HydrophobicContact CZ-CB 3.96Å; F465-V538 HydrophobicContact CZ-CG1 3.65Å; F465-V538 WeakPolarHBondContact CZ-O 3.14Å
466R82.6Confident80.4Confident81 Ų8164.6 Ų64.631%0.30631%0.309SS..THydrogen-bonded Turntrans55.6-122.9-175.8-48.8-178.1-167.1172.314.1110.4S468 D539 T559 V560 M561R466-S468 VanDerWaalsContact C-N 3.27Å; R466-S468 PolarHBondContact O-N 3.5Å; R466-D539 PolarHBondContact NH2-O 2.88Å; R466-T559 PolarHBondContact NH1-O 2.99Å; R466-V560 PolarHBondContact NH1-O 3.33Å; R466-M561 VanDerWaalsContact CZ-CG 3.41Å; R466-M561 VanDerWaalsContact NH1-CG 3.25Å; R466-M561 VanDerWaalsContact NH2-CE 3.35Å; R466-M561 PolarHBondContact NH2-SD 3.02Å
467N80.5Confident82.4Confident153 Ų15363 Ų6382%0.81830%0.296SS*.THydrogen-bonded Turntrans-91.316.9176.2-61.2-24.1000112.8F465F465-N467 PolarHBondContact O-N 3.46Å
468S88.5Confident84.1Confident5 Ų561 Ų614%0.03529%0.285CS..EExtended strand (participates in β ladder)trans-128.2178-178.7-170.40000111D296 F465 R466 K541D296-S468 VanDerWaalsContact CG-OG 3.25Å; D296-S468 WeakPolarHBondContact OD1-CB 3.43Å; D296-S468 PolarHBondContact OD1-OG 3.44Å; D296-S468 PolarHBondContact OD2-OG 3.01Å; F465-S468 CarbonylContact C-O 3.58Å; F465-S468 PolarHBondContact N-O 2.76Å; F465-S468 CarbonylContact O-C 3.49Å; F465-S468 WeakPolarHBondContact O-CA 3.49Å; F465-S468 WeakPolarHBondContact O-CB 3.27Å; F465-S468 PolarHBondContact O-N 3.06Å; R466-S468 VanDerWaalsContact C-N 3.27Å; R466-S468 PolarHBondContact O-N 3.5Å; S468-K541 WeakPolarHBondContact OG-CD 3.11Å
469Q88.1Confident85.8Confident94 Ų9459.8 Ų59.844%0.43928%0.276SS..EExtended strand (participates in β ladder)trans-127.5135.8173.2-69.1178.3600108.4V462 M464 K541V462-Q469 HydrophobicContact CG1-CB 4.02Å; V462-Q469 HydrophobicContact CG1-CG 4.3Å; M464-Q469 HydrophobicContact CE-CG 3.98Å; M464-Q469 HydrophobicContact SD-CG 3.54Å; M464-Q469 VanDerWaalsContact SD-CG 3.54Å; Q469-K541 WeakPolarHBondContact O-CE 3.36Å; Q469-K541 PolarHBondContact O-NZ 2.78Å
470I87.2Confident87.4Confident0 Ų049.1 Ų49.10%024%0.237CC..EExtended strand (participates in β ladder)trans-108.6135.5170.2-66.4169.6000106.7V462 I463 F465 V479 Y488 I535 V538 K541V462-I470 WeakPolarHBondContact CA-O 3.47Å; I463-I470 HydrophobicContact CG2-CB 3.88Å; I463-I470 HydrophobicContact CG2-CG2 4.35Å; I463-I470 PolarHBondContact N-O 2.81Å; I463-I470 PolarHBondContact O-N 2.71Å; F465-I470 HydrophobicContact CB-CD1 3.57Å; F465-I470 HydrophobicContact CB-CG1 3.88Å; F465-I470 HydrophobicContact CD1-CD1 3.79Å; F465-I470 HydrophobicContact CD1-CG1 4.43Å; F465-I470 HydrophobicContact CD2-CD1 4.18Å; F465-I470 HydrophobicContact CG-CD1 3.58Å; F465-I470 HydrophobicContact CG-CG1 4.33Å; I470-V479 HydrophobicContact CD1-CG1 3.82Å; I470-V479 HydrophobicContact CG1-CG1 4.38Å; I470-V479 HydrophobicContact CG2-CG1 4.48Å; I470-Y488 HydrophobicContact CD1-CE2 4.47Å; I470-Y488 HydrophobicContact CG2-CD2 3.5Å; I470-Y488 HydrophobicContact CG2-CE2 3.98Å; I470-I535 HydrophobicContact CD1-CD1 4.13Å; I470-V538 HydrophobicContact CD1-CG1 4.23Å; I470-K541 HydrophobicContact CG1-CD 4.16Å; I470-K541 HydrophobicContact CG1-CG 4.41Å
471N88Confident88.2Confident32 Ų3242.6 Ų42.617%0.17121%0.209CC..EExtended strand (participates in β ladder)trans-122.6173.8173.364.920.8000110.6Q461 V462 F473 D476 N477Q461-N471 WeakPolarHBondContact O-CA 3.27Å; Q461-N471 WeakPolarHBondContact O-CB 3.38Å; V462-N471 HydrophobicContact CG2-CB 4.01Å; N471-F473 VanDerWaalsContact C-N 3.28Å; N471-F473 PolarHBondContact OD1-N 3.08Å; N471-F473 PolarHBondContact OD1-O 3.15Å; N471-D476 PolarHBondContact N-O 2.85Å; N471-D476 WeakPolarHBondContact ND2-CB 3.35Å; N471-D476 VanDerWaalsContact OD1-CB 3.29Å; N471-D476 WeakPolarHBondContact OD1-CB 3.14Å; N471-N477 VanDerWaalsContact O-CA 3.24Å; N471-N477 WeakPolarHBondContact O-CA 3.47Å; N471-N477 WeakPolarHBondContact O-CB 3.27Å
472S85.5Confident88.6Confident10 Ų1046.3 Ų46.37%0.0723%0.23CC..SBendtrans-84.3-1.5176.264.40000113.9Q461 N477Q461-S472 WeakPolarHBondContact CB-OG 3.23Å; Q461-S472 PolarHBondContact O-N 2.86Å; Q461-S472 PolarHBondContact OE1-OG 3.21Å; S472-N477 PolarHBondContact O-ND2 3.08Å
473F86.6Confident89Confident129 Ų12946.7 Ų46.757%0.56624%0.241SC*.SBendtrans-112.9155.4-172.8-55.8-74000111.9Q461 N471 D476 N477Q461-F473 HydrophobicContact CB-CE2 3.98Å; Q461-F473 HydrophobicContact CG-CE2 4.4Å; N471-F473 VanDerWaalsContact C-N 3.28Å; N471-F473 PolarHBondContact OD1-N 3.08Å; N471-F473 PolarHBondContact OD1-O 3.15Å; F473-D476 PolarHBondContact O-N 2.94Å; F473-N477 VanDerWaalsContact O-CB 3.29Å; F473-N477 WeakPolarHBondContact O-CB 3.47Å; F473-N477 PolarHBondContact O-N 2.68Å; F473-N477 PolarHBondContact O-OD1 3.49Å
474Q86.3Confident89.4Confident153 Ų15351.4 Ų51.472%0.71526%0.261SS*.THydrogen-bonded Turntrans-65.8147.4170.4-70.3-177-300110.2
475P90.9Very high89.9Confident26 Ų2647.6 Ų47.617%0.16924%0.242CC..THydrogen-bonded Turncis-96.12.62.134.6-31.4000115.1T293 N477T293-P475 WeakPolarHBondContact O-CG 3.47Å; P475-N477 PolarHBondContact O-N 3.38Å
476D92.6Very high90.4Very high10 Ų1047.1 Ų47.15%0.05324%0.24CC..THydrogen-bonded Turntrans-94.311.5-168.6-61.8-68.8000114.3P294 S295 N471 F473 K541P294-D476 WeakPolarHBondContact CA-OD1 3.3Å; P294-D476 VanDerWaalsContact CB-OD1 3.31Å; P294-D476 WeakPolarHBondContact CB-OD1 3.49Å; S295-D476 WeakPolarHBondContact CB-OD2 3.38Å; S295-D476 PolarHBondContact N-OD1 2.78Å; S295-D476 PolarHBondContact N-OD2 3.5Å; S295-D476 PolarHBondContact OG-OD1 3.33Å; N471-D476 PolarHBondContact N-O 2.85Å; N471-D476 WeakPolarHBondContact ND2-CB 3.35Å; N471-D476 VanDerWaalsContact OD1-CB 3.29Å; N471-D476 WeakPolarHBondContact OD1-CB 3.14Å; F473-D476 PolarHBondContact O-N 2.94Å; D476-K541 WeakPolarHBondContact O-CE 3.26Å; D476-K541 WeakPolarHBondContact OD1-CE 3.47Å; D476-K541 IonicContact OD1-NZ 2.93Å; D476-K541 PolarHBondContact OD1-NZ 3.3Å
477N93.3Very high90.9Very high9 Ų944 Ų445%0.04823%0.229CC..THydrogen-bonded Turntrans-99.14.7-176.469.6-23.1000114.8N471 S472 F473 P475 L487 Y488N471-N477 VanDerWaalsContact O-CA 3.24Å; N471-N477 WeakPolarHBondContact O-CA 3.47Å; N471-N477 WeakPolarHBondContact O-CB 3.27Å; S472-N477 PolarHBondContact O-ND2 3.08Å; F473-N477 VanDerWaalsContact O-CB 3.29Å; F473-N477 WeakPolarHBondContact O-CB 3.47Å; F473-N477 PolarHBondContact O-N 2.68Å; F473-N477 PolarHBondContact O-OD1 3.49Å; P475-N477 PolarHBondContact O-N 3.38Å; N477-L487 CarbonylContact O-C 3.55Å; N477-L487 WeakPolarHBondContact O-CA 3.43Å; N477-Y488 WeakPolarHBondContact CB-O 3.48Å; N477-Y488 PolarHBondContact ND2-O 2.78Å; N477-Y488 VanDerWaalsContact ND2-O 3.11Å; N477-Y488 PolarHBondContact O-N 3.26Å
478V94.9Very high91.3Very high6 Ų636.7 Ų36.74%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-96.8128.5-175.9-1730000110.4F502 C542 I553V478-F502 HydrophobicContact CG1-CE2 3.98Å; V478-F502 HydrophobicContact CG1-CZ 4.37Å; V478-C542 HydrophobicContact CB-CB 4.5Å; V478-C542 HydrophobicContact CG1-CB 3.96Å; V478-C542 PolarHBondContact O-N 3.24Å; V478-I553 HydrophobicContact CG1-CD1 4.07Å; V478-I553 HydrophobicContact CG1-CG2 4.07Å
479V94.8Very high91.4Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-145.4168.3-175.7-62.10000112.5I470 V481 G486 Y488 F499 V538 C540I470-V479 HydrophobicContact CD1-CG1 3.82Å; I470-V479 HydrophobicContact CG1-CG1 4.38Å; I470-V479 HydrophobicContact CG2-CG1 4.48Å; V479-V481 HydrophobicContact CG2-CG2 3.82Å; V479-G486 PolarHBondContact N-O 2.85Å; V479-G486 PolarHBondContact O-N 3.22Å; V479-G486 VanDerWaalsContact O-O 3.13Å; V479-Y488 HydrophobicContact CB-CE2 4.05Å; V479-Y488 HydrophobicContact CG1-CD2 3.99Å; V479-Y488 HydrophobicContact CG1-CE2 3.57Å; V479-Y488 HydrophobicContact CG2-CD2 3.92Å; V479-Y488 HydrophobicContact CG2-CE1 4.24Å; V479-Y488 HydrophobicContact CG2-CE2 3.35Å; V479-F499 HydrophobicContact CG2-CD2 4.17Å; V479-F499 HydrophobicContact CG2-CE2 3.91Å; V479-V538 HydrophobicContact CB-CG1 4.09Å; V479-V538 HydrophobicContact CG1-CG1 4.11Å; V479-C540 WeakPolarHBondContact CA-O 3.24Å; V479-C540 WeakPolarHBondContact CB-O 3.06Å
480V95Very high91.5Very high7 Ų737.1 Ų37.14%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-111.1131.5163.1179.70000108.6K484 P485 F521 D539 C540V480-K484 WeakPolarHBondContact CA-O 3.46Å; V480-P485 HydrophobicContact CG2-CB 4.33Å; V480-F521 HydrophobicContact CG1-CE2 4.37Å; V480-F521 HydrophobicContact CG2-CD2 4.35Å; V480-F521 HydrophobicContact CG2-CE2 3.73Å; V480-D539 HydrophobicContact CB-CB 4.37Å; V480-D539 HydrophobicContact CG1-CB 4.3Å; V480-D539 WeakPolarHBondContact CG1-OD2 3.49Å; V480-D539 PolarHBondContact O-N 3.44Å; V480-C540 PolarHBondContact N-O 2.97Å
481V93.8Very high91.4Very high6 Ų637.2 Ų37.24%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-126.9118.5179.2178.70000108.2V479 G483 K484 Y488 F499 V533 D537 V538V479-V481 HydrophobicContact CG2-CG2 3.82Å; V481-G483 VanDerWaalsContact C-N 3.25Å; V481-G483 PolarHBondContact O-N 3.42Å; V481-K484 PolarHBondContact N-O 3.26Å; V481-K484 WeakPolarHBondContact O-CB 3.12Å; V481-K484 PolarHBondContact O-N 3.15Å; V481-Y488 VanDerWaalsContact CG2-OH 3.31Å; V481-Y488 WeakPolarHBondContact CG2-OH 3.36Å; V481-F499 HydrophobicContact CB-CE1 4.31Å; V481-F499 HydrophobicContact CB-CE2 4.16Å; V481-F499 HydrophobicContact CB-CZ 4.04Å; V481-F499 HydrophobicContact CG2-CD2 3.85Å; V481-F499 HydrophobicContact CG2-CE2 3.69Å; V481-F499 HydrophobicContact CG2-CG 4.38Å; V481-F499 HydrophobicContact CG2-CZ 4.1Å; V481-V533 HydrophobicContact CG1-CB 4.33Å; V481-V533 HydrophobicContact CG1-CG1 4.16Å; V481-V533 HydrophobicContact CG1-CG2 4.46Å; V481-V533 HydrophobicContact CG2-CG2 4.45Å; V481-D537 HydrophobicContact CG1-CB 4.09Å; V481-D537 WeakPolarHBondContact CG1-O 3.41Å; V481-V538 HydrophobicContact CG2-CG2 4.39Å
482N92.7Very high91.3Very high112 Ų11239.1 Ų39.160%0.59921%0.206SC*.THydrogen-bonded Turntrans47.348-176.1-62.1-52.2000112.6K484 D539N482-K484 PolarHBondContact O-N 2.97Å; N482-D539 WeakPolarHBondContact CA-OD2 3.46Å; N482-D539 PolarHBondContact N-OD2 2.85Å
483G92.6Very high91Very high43 Ų4345.3 Ų45.344%0.44324%0.238SC..THydrogen-bonded Turntrans73.93.2-179.800000115.5V481 F521 D539V481-G483 VanDerWaalsContact C-N 3.25Å; V481-G483 PolarHBondContact O-N 3.42Å; G483-F521 WeakPolarHBondContact O-CZ 3.44Å; G483-D539 PolarHBondContact N-OD2 3.38Å
484K94.1Very high90.7Very high112 Ų11243.2 Ų43.249%0.48724%0.239SC..EExtended strand (participates in β ladder)trans-107.9122.3-178.8-64.5176.1178.5-177.30110.8V480 V481 N482 F499 Q501V480-K484 WeakPolarHBondContact CA-O 3.46Å; V481-K484 PolarHBondContact N-O 3.26Å; V481-K484 WeakPolarHBondContact O-CB 3.12Å; V481-K484 PolarHBondContact O-N 3.15Å; N482-K484 PolarHBondContact O-N 2.97Å; K484-F499 WeakPolarHBondContact O-CZ 3.42Å; K484-Q501 HydrophobicContact CB-CG 4.1Å
485P95.8Very high90.4Very high1 Ų136.7 Ų36.71%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-75.2143.6178.332.5-36.5000110.7V480 Q501 F502 P505 F521 I553V480-P485 HydrophobicContact CG2-CB 4.33Å; P485-Q501 VanDerWaalsContact O-CG 3.27Å; P485-Q501 WeakPolarHBondContact O-CG 3.25Å; P485-F502 HydrophobicContact CB-CD2 4.05Å; P485-F502 PolarHBondContact O-N 3.34Å; P485-P505 HydrophobicContact CG-CB 3.89Å; P485-F521 HydrophobicContact CB-CB 4.49Å; P485-F521 HydrophobicContact CB-CD2 3.85Å; P485-F521 HydrophobicContact CB-CE2 4.28Å; P485-F521 HydrophobicContact CB-CG 4.15Å; P485-F521 HydrophobicContact CG-CB 4.06Å; P485-F521 HydrophobicContact CG-CD1 4.01Å; P485-F521 HydrophobicContact CG-CD2 3.91Å; P485-F521 HydrophobicContact CG-CE1 4.45Å; P485-F521 HydrophobicContact CG-CE2 4.36Å; P485-F521 HydrophobicContact CG-CG 3.72Å; P485-I553 HydrophobicContact CB-CG1 4.42Å; P485-I553 HydrophobicContact CB-CG2 4.35Å
486G95Very high90.3Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-169.5-167.4176.500000112.7V479 F499 R500 F502V479-G486 PolarHBondContact N-O 2.85Å; V479-G486 PolarHBondContact O-N 3.22Å; V479-G486 VanDerWaalsContact O-O 3.13Å; G486-F499 VanDerWaalsContact CA-CE2 3.4Å; G486-R500 CarbonylContact C-O 3.47Å; G486-R500 WeakPolarHBondContact CA-O 3.48Å; G486-F502 WeakPolarHBondContact O-CE2 3.29Å
487L93.5Very high90.2Very high16 Ų1638 Ų388%0.08422%0.218CC..EExtended strand (participates in β ladder)trans-130.8152.8177.158.280.5000112.4N477 T489 R500 F502 V526N477-L487 CarbonylContact O-C 3.55Å; N477-L487 WeakPolarHBondContact O-CA 3.43Å; L487-T489 HydrophobicContact CD1-CG2 3.27Å; L487-R500 HydrophobicContact CD1-CB 4Å; L487-R500 PolarHBondContact N-O 2.77Å; L487-R500 PolarHBondContact O-N 2.77Å; L487-F502 HydrophobicContact CB-CZ 4.48Å; L487-F502 HydrophobicContact CD2-CE1 4.25Å; L487-F502 HydrophobicContact CD2-CZ 4.15Å; L487-V526 HydrophobicContact CD1-CG1 4.02Å; L487-V526 HydrophobicContact CD2-CB 4.2Å; L487-V526 HydrophobicContact CD2-CG1 3.81Å; L487-V526 HydrophobicContact CD2-CG2 3.32Å; L487-V526 HydrophobicContact CG-CG1 3.82Å; L487-V526 HydrophobicContact CG-CG2 4.16Å
488Y88.8Confident90.2Very high0 Ų040.1 Ų40.10%023%0.227CC..EExtended strand (participates in β ladder)trans-90.6140.1166.7-64.7-51.5000111.1I470 N477 V479 V481 L497 K498 F499 V533 V538I470-Y488 HydrophobicContact CD1-CE2 4.47Å; I470-Y488 HydrophobicContact CG2-CD2 3.5Å; I470-Y488 HydrophobicContact CG2-CE2 3.98Å; N477-Y488 WeakPolarHBondContact CB-O 3.48Å; N477-Y488 PolarHBondContact ND2-O 2.78Å; N477-Y488 VanDerWaalsContact ND2-O 3.11Å; N477-Y488 PolarHBondContact O-N 3.26Å; V479-Y488 HydrophobicContact CB-CE2 4.05Å; V479-Y488 HydrophobicContact CG1-CD2 3.99Å; V479-Y488 HydrophobicContact CG1-CE2 3.57Å; V479-Y488 HydrophobicContact CG2-CD2 3.92Å; V479-Y488 HydrophobicContact CG2-CE1 4.24Å; V479-Y488 HydrophobicContact CG2-CE2 3.35Å; V481-Y488 VanDerWaalsContact CG2-OH 3.31Å; V481-Y488 WeakPolarHBondContact CG2-OH 3.36Å; Y488-L497 HydrophobicContact CD1-CB 3.48Å; Y488-L497 VanDerWaalsContact CD1-CB 3.48Å; Y488-L497 HydrophobicContact CD1-CD1 4.45Å; Y488-L497 HydrophobicContact CD2-CD1 4.2Å; Y488-L497 HydrophobicContact CE1-CB 3.32Å; Y488-L497 HydrophobicContact CE1-CD1 3.9Å; Y488-L497 HydrophobicContact CE1-CG 4.24Å; Y488-L497 HydrophobicContact CE2-CB 4.35Å; Y488-L497 HydrophobicContact CE2-CD1 3.54Å; Y488-L497 HydrophobicContact CG-CB 4.1Å; Y488-K498 WeakPolarHBondContact CA-O 3.4Å; Y488-F499 HydrophobicContact CD1-CB 4.13Å; Y488-F499 HydrophobicContact CD1-CD2 4.14Å; Y488-F499 HydrophobicContact CE1-CB 3.79Å; Y488-F499 AromaticContact CE1-CD2 3.72Å; Y488-F499 HydrophobicContact CE1-CD2 3.72Å; Y488-F499 HydrophobicContact CE1-CG 4.19Å; Y488-V533 HydrophobicContact CE1-CG2 3.53Å; Y488-V533 WeakPolarHBondContact OH-CG2 3.26Å; Y488-V538 HydrophobicContact CE2-CG2 4.39Å; Y488-V538 WeakPolarHBondContact OH-CG2 3.38Å
489T89.9Confident90.1Very high49 Ų4940.3 Ų40.330%0.30123%0.227SC..EExtended strand (participates in β ladder)trans-119.8-14.9179.148.70000113.6L487 K498 R500L487-T489 HydrophobicContact CD1-CG2 3.27Å; T489-K498 PolarHBondContact N-O 2.79Å; T489-K498 WeakPolarHBondContact OG1-CD 3.4Å; T489-K498 PolarHBondContact OG1-O 3.16Å; T489-R500 HydrophobicContact CG2-CG 4.35Å
490D89.6Confident90.1Very high58 Ų5843.9 Ų43.931%0.3124%0.241SC..EExtended strand (participates in β ladder)trans-162.7150-176.6-164.510.4000110Q461 K498 W532Q461-D490 PolarHBondContact NE2-OD1 2.84Å; Q461-D490 PolarHBondContact OE1-OD1 3.29Å; Q461-D490 VanDerWaalsContact OE1-OD1 3.05Å; D490-K498 HydrophobicContact CB-CB 3.76Å; D490-K498 HydrophobicContact CB-CD 3.98Å; D490-K498 PolarHBondContact O-N 2.99Å; D490-W532 HydrophobicContact CB-CH2 4.48Å
491I85.9Confident90.1Very high3 Ų346.5 Ų46.52%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-126.8115.8176.8-53.7-171.4000107.8Q461 I463 L497Q461-I491 PolarHBondContact NE2-O 3.18Å; Q461-I491 WeakPolarHBondContact O-CD1 3.48Å; I463-I491 HydrophobicContact CB-CD1 4.2Å; I463-I491 HydrophobicContact CG2-CD1 4.07Å; I491-L497 HydrophobicContact CB-CD2 4.21Å; I491-L497 HydrophobicContact CD1-CD2 3.91Å; I491-L497 HydrophobicContact CG1-CD2 3.69Å; I491-L497 HydrophobicContact CG2-CD2 3.86Å
492Q85.5Confident90.1Very high72 Ų7246.5 Ų46.534%0.33625%0.252SS..  trans-71.7158.5175-83179.8-0.300112S494 G495 L496 W532Q492-S494 WeakPolarHBondContact CB-OG 3.45Å; Q492-S494 PolarHBondContact O-N 3.32Å; Q492-S494 VanDerWaalsContact O-N 3.14Å; Q492-S494 PolarHBondContact OE1-OG 2.99Å; Q492-G495 WeakPolarHBondContact O-CA 3.45Å; Q492-G495 PolarHBondContact O-N 3Å; Q492-L496 HydrophobicContact CB-CB 4.48Å; Q492-L496 PolarHBondContact N-O 3.27Å; Q492-W532 HydrophobicContact CB-CZ3 4.23Å; Q492-W532 HydrophobicContact CG-CE3 4.22Å; Q492-W532 HydrophobicContact CG-CH2 3.47Å; Q492-W532 VanDerWaalsContact CG-CH2 3.47Å; Q492-W532 HydrophobicContact CG-CZ2 4.2Å; Q492-W532 HydrophobicContact CG-CZ3 3.47Å; Q492-W532 VanDerWaalsContact CG-CZ3 3.47Å
493D78.9Confident90Very high140 Ų14043.5 Ų43.575%0.74924%0.238SC*.THydrogen-bonded Turntrans-56.2-27.2170.4-67-35000112.9S458 G495S458-D493 WeakPolarHBondContact CB-OD1 3.15Å; S458-D493 PolarHBondContact OG-OD1 2.9Å; D493-G495 PolarHBondContact O-N 3.37Å
494S81.9Confident89.8Confident84 Ų8445.9 Ų45.959%0.58724%0.241SC*.THydrogen-bonded Turntrans-69.7-13.7174.162.90000113.9Q492 L496Q492-S494 WeakPolarHBondContact CB-OG 3.45Å; Q492-S494 PolarHBondContact O-N 3.32Å; Q492-S494 VanDerWaalsContact O-N 3.14Å; Q492-S494 PolarHBondContact OE1-OG 2.99Å; S494-L496 VanDerWaalsContact C-N 3.35Å; S494-L496 PolarHBondContact OG-N 3.49Å
495G80.1Confident89.8Confident16 Ų1643.1 Ų43.117%0.16523%0.234CC..SBendtrans85.31.1-171.200000114.5Q492 D493Q492-G495 WeakPolarHBondContact O-CA 3.45Å; Q492-G495 PolarHBondContact O-N 3Å; D493-G495 PolarHBondContact O-N 3.37Å
496L87.8Confident89.7Confident64 Ų6446.5 Ų46.534%0.33525%0.25SC..  trans-70.6140.9172.2-67.8176.3000111Q492 S494 W532Q492-L496 HydrophobicContact CB-CB 4.48Å; Q492-L496 PolarHBondContact N-O 3.27Å; S494-L496 VanDerWaalsContact C-N 3.35Å; S494-L496 PolarHBondContact OG-N 3.49Å; L496-W532 HydrophobicContact CB-CE3 3.9Å
497L89.6Confident89.7Confident0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-109.6130.5-173.4-50.2172.1000110.1I463 Y488 I491 F499 W532 V533 I535 V538I463-L497 HydrophobicContact CD1-CD2 4.31Å; I463-L497 HydrophobicContact CG2-CD2 4.08Å; Y488-L497 HydrophobicContact CD1-CB 3.48Å; Y488-L497 VanDerWaalsContact CD1-CB 3.48Å; Y488-L497 HydrophobicContact CD1-CD1 4.45Å; Y488-L497 HydrophobicContact CD2-CD1 4.2Å; Y488-L497 HydrophobicContact CE1-CB 3.32Å; Y488-L497 HydrophobicContact CE1-CD1 3.9Å; Y488-L497 HydrophobicContact CE1-CG 4.24Å; Y488-L497 HydrophobicContact CE2-CB 4.35Å; Y488-L497 HydrophobicContact CE2-CD1 3.54Å; Y488-L497 HydrophobicContact CG-CB 4.1Å; I491-L497 HydrophobicContact CB-CD2 4.21Å; I491-L497 HydrophobicContact CD1-CD2 3.91Å; I491-L497 HydrophobicContact CG1-CD2 3.69Å; I491-L497 HydrophobicContact CG2-CD2 3.86Å; L497-F499 PolarHBondContact O-N 3.39Å; L497-F499 VanDerWaalsContact O-N 3.16Å; L497-W532 WeakPolarHBondContact O-CA 3.48Å; L497-V533 HydrophobicContact CB-CG2 4.08Å; L497-V533 PolarHBondContact N-O 3.06Å; L497-V533 PolarHBondContact O-N 3.04Å; L497-I535 HydrophobicContact CD1-CB 4.32Å; L497-I535 HydrophobicContact CD1-CD1 3.81Å; L497-V538 HydrophobicContact CD1-CG2 4.32Å
498K93.3Very high89.7Confident53 Ų5350 Ų5023%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-80.894.8176.8-170.5176.6-179176.50110.2Y488 T489 D490 Y530 W532Y488-K498 WeakPolarHBondContact CA-O 3.4Å; T489-K498 PolarHBondContact N-O 2.79Å; T489-K498 WeakPolarHBondContact OG1-CD 3.4Å; T489-K498 PolarHBondContact OG1-O 3.16Å; D490-K498 HydrophobicContact CB-CB 3.76Å; D490-K498 HydrophobicContact CB-CD 3.98Å; D490-K498 PolarHBondContact O-N 2.99Å; K498-Y530 HydrophobicContact CD-CD2 4.27Å; K498-Y530 HydrophobicContact CD-CG 4.39Å; K498-Y530 VanDerWaalsContact CE-CG 3.48Å; K498-Y530 HydrophobicContact CG-CD2 3.82Å; K498-Y530 HydrophobicContact CG-CG 4.04Å; K498-W532 HydrophobicContact CB-CE3 4.08Å; K498-W532 HydrophobicContact CB-CH2 3.75Å; K498-W532 HydrophobicContact CB-CZ2 4.29Å; K498-W532 HydrophobicContact CB-CZ3 3.64Å; K498-W532 HydrophobicContact CD-CH2 4.3Å; K498-W532 HydrophobicContact CD-CZ2 4.32Å; K498-W532 HydrophobicContact CG-CH2 4.3Å; K498-W532 HydrophobicContact CG-CZ2 4.39Å
499F94.5Very high89.8Confident10 Ų1051.2 Ų51.24%0.04427%0.272CS..EExtended strand (participates in β ladder)trans-86.1132.1-177-175.2-115.7000111.9V479 V481 K484 G486 Y488 L497 Q501 Y530 S531 V533V479-F499 HydrophobicContact CG2-CD2 4.17Å; V479-F499 HydrophobicContact CG2-CE2 3.91Å; V481-F499 HydrophobicContact CB-CE1 4.31Å; V481-F499 HydrophobicContact CB-CE2 4.16Å; V481-F499 HydrophobicContact CB-CZ 4.04Å; V481-F499 HydrophobicContact CG2-CD2 3.85Å; V481-F499 HydrophobicContact CG2-CE2 3.69Å; V481-F499 HydrophobicContact CG2-CG 4.38Å; V481-F499 HydrophobicContact CG2-CZ 4.1Å; K484-F499 WeakPolarHBondContact O-CZ 3.42Å; G486-F499 VanDerWaalsContact CA-CE2 3.4Å; Y488-F499 HydrophobicContact CD1-CB 4.13Å; Y488-F499 HydrophobicContact CD1-CD2 4.14Å; Y488-F499 HydrophobicContact CE1-CB 3.79Å; Y488-F499 AromaticContact CE1-CD2 3.72Å; Y488-F499 HydrophobicContact CE1-CD2 3.72Å; Y488-F499 HydrophobicContact CE1-CG 4.19Å; L497-F499 PolarHBondContact O-N 3.39Å; L497-F499 VanDerWaalsContact O-N 3.16Å; F499-Q501 HydrophobicContact CE1-CB 3.95Å; F499-Q501 HydrophobicContact CE1-CG 4.23Å; F499-Q501 HydrophobicContact CZ-CB 4.4Å; F499-Q501 HydrophobicContact CZ-CG 4.44Å; F499-Y530 CarbonylContact O-C 3.59Å; F499-Y530 WeakPolarHBondContact O-CA 3.01Å; F499-Y530 WeakPolarHBondContact O-CB 3.39Å; F499-S531 PolarHBondContact N-O 3.42Å; F499-S531 PolarHBondContact O-N 2.98Å; F499-V533 HydrophobicContact CB-CG1 3.96Å; F499-V533 HydrophobicContact CB-CG2 3.86Å; F499-V533 HydrophobicContact CG-CG1 4.48Å
500R94.9Very high90Very high75 Ų7553.6 Ų53.628%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-123.9114.5171.1-64.9178.870.2177.8-7108.9G486 L487 T489 V526 S527G486-R500 CarbonylContact C-O 3.47Å; G486-R500 WeakPolarHBondContact CA-O 3.48Å; L487-R500 HydrophobicContact CD1-CB 4Å; L487-R500 PolarHBondContact N-O 2.77Å; L487-R500 PolarHBondContact O-N 2.77Å; T489-R500 HydrophobicContact CG2-CG 4.35Å; R500-V526 HydrophobicContact CB-CG1 3.74Å; R500-S527 VanDerWaalsContact CZ-O 3.28Å; R500-S527 PolarHBondContact NE-O 2.65Å; R500-S527 PolarHBondContact NH2-O 3.44Å
501Q94.6Very high89.9Confident63 Ų6356.2 Ų56.229%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-70.4145.9-177.6-161.1-172.5-30.800111.3K484 P485 F499 S527K484-Q501 HydrophobicContact CB-CG 4.1Å; P485-Q501 VanDerWaalsContact O-CG 3.27Å; P485-Q501 WeakPolarHBondContact O-CG 3.25Å; F499-Q501 HydrophobicContact CE1-CB 3.95Å; F499-Q501 HydrophobicContact CE1-CG 4.23Å; F499-Q501 HydrophobicContact CZ-CB 4.4Å; F499-Q501 HydrophobicContact CZ-CG 4.44Å; Q501-S527 WeakPolarHBondContact O-CB 3.43Å; Q501-S527 PolarHBondContact O-N 3.33Å
502F93.9Very high89.9Confident6 Ų659 Ų593%0.02632%0.318CS..BIsolated β-bridgetrans-72.5143.2163.2-65.8-73.9000110.9V478 P485 G486 L487 C523 V525 V526 L551 I553V478-F502 HydrophobicContact CG1-CE2 3.98Å; V478-F502 HydrophobicContact CG1-CZ 4.37Å; P485-F502 HydrophobicContact CB-CD2 4.05Å; P485-F502 PolarHBondContact O-N 3.34Å; G486-F502 WeakPolarHBondContact O-CE2 3.29Å; L487-F502 HydrophobicContact CB-CZ 4.48Å; L487-F502 HydrophobicContact CD2-CE1 4.25Å; L487-F502 HydrophobicContact CD2-CZ 4.15Å; F502-C523 HydrophobicContact CB-CB 3.77Å; F502-C523 HydrophobicContact CD1-CB 4.49Å; F502-C523 HydrophobicContact CG-CB 4.1Å; F502-V525 WeakPolarHBondContact CA-O 3.3Å; F502-V526 HydrophobicContact CD1-CB 4.43Å; F502-V526 HydrophobicContact CD1-CG2 3.59Å; F502-V526 HydrophobicContact CE1-CG2 3.3Å; F502-V526 HydrophobicContact CZ-CG2 4.28Å; F502-L551 HydrophobicContact CD1-CD2 3.74Å; F502-L551 HydrophobicContact CE1-CD2 3.21Å; F502-L551 HydrophobicContact CE2-CD2 4.44Å; F502-L551 HydrophobicContact CZ-CD2 3.65Å; F502-I553 HydrophobicContact CD2-CD1 4.3Å; F502-I553 HydrophobicContact CD2-CG1 4.3Å; F502-I553 HydrophobicContact CE2-CD1 3.79Å; F502-I553 HydrophobicContact CE2-CG1 4.23Å; F502-I553 HydrophobicContact CZ-CD1 4.07Å
503T89.7Confident90.1Very high49 Ų4957.9 Ų57.930%0.30131%0.313SS..SBendtrans-82.3150.3176.554.60000111.3S524 V525T503-S524 PolarHBondContact O-N 2.66Å; T503-S524 PolarHBondContact O-OG 3.01Å; T503-S524 PolarHBondContact OG1-OG 3.28Å; T503-V525 PolarHBondContact N-O 3.14Å; T503-V525 WeakPolarHBondContact OG1-CG2 3.39Å; T503-V525 PolarHBondContact OG1-N 2.97Å; T503-V525 PolarHBondContact OG1-O 3.14Å
504D89.4Confident90.9Very high93 Ų9353.4 Ų53.450%0.49729%0.291SS..SBendtrans52.356.3175-171.630.9000113.9Q506D504-Q506 PolarHBondContact O-N 3.22Å; D504-Q506 WeakPolarHBondContact OD1-CG 3.31Å; D504-Q506 PolarHBondContact OD1-NE2 2.83Å; D504-Q506 PolarHBondContact OD2-NE2 3.42Å
505P92.7Very high91.5Very high54 Ų5449.4 Ų49.435%0.35126%0.263SS..  trans-67.3118.3173.629.4-33.3000110P485 F521P485-P505 HydrophobicContact CG-CB 3.89Å; P505-F521 HydrophobicContact CB-CD1 3.96Å
506Q94.5Very high92.3Very high71 Ų7150.8 Ų50.833%0.33227%0.268SS..EExtended strand (participates in β ladder)trans-122.7164.7-179.6-65.4176.3-1.700110.9D504 Y508 K522D504-Q506 PolarHBondContact O-N 3.22Å; D504-Q506 WeakPolarHBondContact OD1-CG 3.31Å; D504-Q506 PolarHBondContact OD1-NE2 2.83Å; D504-Q506 PolarHBondContact OD2-NE2 3.42Å; Q506-Y508 PolarHBondContact O-N 2.76Å; Q506-K522 PolarHBondContact N-O 3.43Å; Q506-K522 PolarHBondContact O-N 3.06Å
507N94.5Very high92.5Very high55 Ų5551.9 Ų51.929%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-59.1127.8165-74.9-59.2000110.8T510 P514 S515 T516N507-T510 HydrophobicContact CB-CG2 3.82Å; N507-P514 VanDerWaalsContact OD1-C 3.26Å; N507-P514 VanDerWaalsContact OD1-CA 3.29Å; N507-P514 WeakPolarHBondContact OD1-CA 3.27Å; N507-P514 WeakPolarHBondContact OD1-CB 3.43Å; N507-S515 PolarHBondContact OD1-N 3.34Å; N507-T516 WeakPolarHBondContact OD1-CG2 3.29Å; N507-T516 PolarHBondContact OD1-N 2.96Å; N507-T516 VanDerWaalsContact OD1-N 3.07Å; N507-T516 PolarHBondContact OD1-OG1 3.34Å
508Y93.7Very high92.6Very high34 Ų3452.1 Ų52.113%0.13328%0.276CS..SBendtrans-73.2-37.7168176.5-121.1000111P324 V325 Q328 Q506 S515 I520 V552P324-Y508 PolarHBondContact O-OH 2.67Å; V325-Y508 WeakPolarHBondContact CA-OH 3.17Å; V325-Y508 HydrophobicContact CG2-CE1 4.27Å; Q328-Y508 PolarHBondContact OE1-OH 2.96Å; Q506-Y508 PolarHBondContact O-N 2.76Å; Y508-S515 PolarHBondContact N-OG 3.06Å; Y508-I520 HydrophobicContact CD1-CG2 4.21Å; Y508-I520 HydrophobicContact CG-CG2 4.46Å; Y508-V552 HydrophobicContact CD1-CG1 4.16Å; Y508-V552 HydrophobicContact CD2-CG1 4.1Å; Y508-V552 HydrophobicContact CD2-CG2 3.7Å; Y508-V552 HydrophobicContact CE2-CG1 4.46Å; Y508-V552 HydrophobicContact CE2-CG2 3.72Å; Y508-V552 HydrophobicContact CG-CG1 3.97Å; Y508-V552 HydrophobicContact CG-CG2 4.41Å
509F92.2Very high92.6Very high27 Ų2750.4 Ų50.412%0.11827%0.273CS..  trans-141.6158.4167.258.1-99.9000109.8L344 D511 F513 S515 I518 I520L344-F509 HydrophobicContact CD1-CE2 4.28Å; L344-F509 HydrophobicContact CD1-CZ 3.71Å; L344-F509 HydrophobicContact CD2-CE2 4.3Å; L344-F509 HydrophobicContact CD2-CZ 4.43Å; F509-D511 WeakPolarHBondContact CD2-O 3.44Å; F509-F513 WeakPolarHBondContact CD2-O 3.46Å; F509-S515 WeakPolarHBondContact O-CB 3.44Å; F509-S515 PolarHBondContact O-N 3.21Å; F509-I518 HydrophobicContact CZ-CD1 4.12Å; F509-I520 HydrophobicContact CE1-CD1 4.4Å
510T93.3Very high92.7Very high99 Ų9950.5 Ų50.561%0.60727%0.274SS*.  trans-119-4.8177.853.80000113.3N507 F513N507-T510 HydrophobicContact CB-CG2 3.82Å; T510-F513 CarbonylContact C-O 3.56Å; T510-F513 VanDerWaalsContact C-O 3.3Å; T510-F513 CarbonylContact O-C 3.59Å; T510-F513 VanDerWaalsContact O-C 3.28Å; T510-F513 WeakPolarHBondContact O-CA 3.44Å; T510-F513 PolarHBondContact O-N 3.44Å
511D86.5Confident92.7Very high113 Ų11347.6 Ų47.660%0.60426%0.263SS*.SBendtrans-120125.2-179.5175.259.9000108.8K340 F509K340-D511 PolarHBondContact NZ-O 2.74Å; F509-D511 WeakPolarHBondContact CD2-O 3.44Å
512P86.4Confident92.7Very high61 Ų6146.6 Ų46.640%0.39626%0.258SS..SBendcis-79.7-13.56.831.7-33.5000115.3L344L344-P512 HydrophobicContact CD2-CG 3.89Å
513F90.7Very high92.7Very high49 Ų4946.6 Ų46.622%0.21526%0.259CS..SBendtrans-150.3166.1174.755-97.5000110L348 F509 T510 S515 D517 I518L348-F513 HydrophobicContact CD1-CE1 3.92Å; L348-F513 HydrophobicContact CD1-CZ 3.92Å; L348-F513 HydrophobicContact CD2-CE1 4.32Å; L348-F513 HydrophobicContact CD2-CZ 3.63Å; L348-F513 HydrophobicContact CG-CZ 4.34Å; F509-F513 WeakPolarHBondContact CD2-O 3.46Å; T510-F513 CarbonylContact C-O 3.56Å; T510-F513 VanDerWaalsContact C-O 3.3Å; T510-F513 CarbonylContact O-C 3.59Å; T510-F513 VanDerWaalsContact O-C 3.28Å; T510-F513 WeakPolarHBondContact O-CA 3.44Å; T510-F513 PolarHBondContact O-N 3.44Å; F513-S515 PolarHBondContact O-N 3.29Å; F513-D517 HydrophobicContact CD2-CB 4.31Å; F513-I518 HydrophobicContact CE2-CD1 4.1Å; F513-I518 HydrophobicContact CE2-CG1 4.15Å; F513-I518 HydrophobicContact CE2-CG2 3.71Å; F513-I518 HydrophobicContact CZ-CD1 4.35Å; F513-I518 HydrophobicContact CZ-CG2 4.11Å
514P94.9Very high92.6Very high46 Ų4646.9 Ų46.930%0.29926%0.263SS..  trans-54.1120.9176-27.437.1000112.7N507 T516 D517N507-P514 VanDerWaalsContact OD1-C 3.26Å; N507-P514 VanDerWaalsContact OD1-CA 3.29Å; N507-P514 WeakPolarHBondContact OD1-CA 3.27Å; N507-P514 WeakPolarHBondContact OD1-CB 3.43Å; P514-T516 PolarHBondContact O-N 2.78Å; P514-T516 VanDerWaalsContact O-N 3.08Å; P514-D517 VanDerWaalsContact O-CB 3.28Å; P514-D517 WeakPolarHBondContact O-CB 3.43Å; P514-D517 PolarHBondContact O-N 3.07Å
515S95.3Very high92.4Very high0 Ų047.2 Ų47.20%027%0.268CS..G310 helixtrans-61-22.9-178.476.40000113.4N507 Y508 F509 F513 D517 I518 G519 I520N507-S515 PolarHBondContact OD1-N 3.34Å; Y508-S515 PolarHBondContact N-OG 3.06Å; F509-S515 WeakPolarHBondContact O-CB 3.44Å; F509-S515 PolarHBondContact O-N 3.21Å; F513-S515 PolarHBondContact O-N 3.29Å; S515-D517 PolarHBondContact O-N 2.75Å; S515-I518 VanDerWaalsContact O-CG1 3.23Å; S515-I518 WeakPolarHBondContact O-CG1 3.32Å; S515-I518 PolarHBondContact O-N 3.41Å; S515-G519 PolarHBondContact O-N 2.93Å; S515-I520 CarbonylContact C-O 3.59Å; S515-I520 PolarHBondContact O-N 3.45Å; S515-I520 PolarHBondContact OG-O 3.45Å
516T95.1Very high92.1Very high44 Ų4447 Ų4727%0.2727%0.265SS..G310 helixtrans-63.6-24.1174.552.60000112.8N507 P514 I518 G519 I520 F521N507-T516 WeakPolarHBondContact OD1-CG2 3.29Å; N507-T516 PolarHBondContact OD1-N 2.96Å; N507-T516 VanDerWaalsContact OD1-N 3.07Å; N507-T516 PolarHBondContact OD1-OG1 3.34Å; P514-T516 PolarHBondContact O-N 2.78Å; P514-T516 VanDerWaalsContact O-N 3.08Å; T516-I518 PolarHBondContact O-N 2.96Å; T516-G519 PolarHBondContact O-N 2.78Å; T516-I520 PolarHBondContact N-O 2.85Å; T516-F521 HydrophobicContact CG2-CD1 3.66Å; T516-F521 HydrophobicContact CG2-CE1 3.79Å
517D92.6Very high91.9Very high88 Ų8845.1 Ų45.147%0.47126%0.26SS..G310 helixtrans-66-26.1179.3-62.9-7.9000111.8F354 F513 P514 S515F354-D517 WeakPolarHBondContact CZ-O 3.31Å; F513-D517 HydrophobicContact CD2-CB 4.31Å; P514-D517 VanDerWaalsContact O-CB 3.28Å; P514-D517 WeakPolarHBondContact O-CB 3.43Å; P514-D517 PolarHBondContact O-N 3.07Å; S515-D517 PolarHBondContact O-N 2.75Å
518I92.7Very high91.6Very high5 Ų547.5 Ų47.53%0.02628%0.281CS..G310 helixtrans-107.119.3174.160.7171.1000112.3L344 Y347 L348 F354 F509 F513 S515 T516 I520L344-I518 HydrophobicContact CD1-CD1 4.21Å; Y347-I518 HydrophobicContact CD1-CD1 4.03Å; Y347-I518 HydrophobicContact CE1-CD1 3.9Å; L348-I518 HydrophobicContact CD2-CD1 4.39Å; L348-I518 HydrophobicContact CD2-CG2 4.03Å; F354-I518 HydrophobicContact CD1-CG2 4.24Å; F354-I518 HydrophobicContact CD2-CG2 4.19Å; F354-I518 HydrophobicContact CE1-CG2 4.26Å; F354-I518 HydrophobicContact CE2-CG2 4.21Å; F354-I518 HydrophobicContact CG-CG2 4.21Å; F354-I518 HydrophobicContact CZ-CG2 4.25Å; F509-I518 HydrophobicContact CZ-CD1 4.12Å; F513-I518 HydrophobicContact CE2-CD1 4.1Å; F513-I518 HydrophobicContact CE2-CG1 4.15Å; F513-I518 HydrophobicContact CE2-CG2 3.71Å; F513-I518 HydrophobicContact CZ-CD1 4.35Å; F513-I518 HydrophobicContact CZ-CG2 4.11Å; S515-I518 VanDerWaalsContact O-CG1 3.23Å; S515-I518 WeakPolarHBondContact O-CG1 3.32Å; S515-I518 PolarHBondContact O-N 3.41Å; T516-I518 PolarHBondContact O-N 2.96Å; I518-I520 VanDerWaalsContact C-N 3.32Å; I518-I520 HydrophobicContact CD1-CD1 3.71Å; I518-I520 HydrophobicContact CD1-CG1 4.26Å; I518-I520 HydrophobicContact CG1-CD1 4.14Å; I518-I520 HydrophobicContact CG1-CG1 4.13Å; I518-I520 PolarHBondContact O-N 3.43Å
519G93.5Very high91.5Very high16 Ų1648.9 Ų48.917%0.16530%0.299CS..THydrogen-bonded Turntrans72.115.9176.800000115.4S515 T516 F521 P555S515-G519 PolarHBondContact O-N 2.93Å; T516-G519 PolarHBondContact O-N 2.78Å; G519-F521 WeakPolarHBondContact O-CD2 3.29Å; G519-F521 WeakPolarHBondContact O-CE2 3.38Å; G519-P555 WeakPolarHBondContact O-CD 3.05Å; G519-P555 WeakPolarHBondContact O-CG 3.35Å
520I95.6Very high91.5Very high12 Ų1253.8 Ų53.86%0.06232%0.318CS..  trans-92.5121.4175.7-61.2177.9000109.6Y347 Y508 F509 S515 T516 I518 V552 I553 V554Y347-I520 HydrophobicContact CE1-CD1 4.13Å; Y508-I520 HydrophobicContact CD1-CG2 4.21Å; Y508-I520 HydrophobicContact CG-CG2 4.46Å; F509-I520 HydrophobicContact CE1-CD1 4.4Å; S515-I520 CarbonylContact C-O 3.59Å; S515-I520 PolarHBondContact O-N 3.45Å; S515-I520 PolarHBondContact OG-O 3.45Å; T516-I520 PolarHBondContact N-O 2.85Å; I518-I520 VanDerWaalsContact C-N 3.32Å; I518-I520 HydrophobicContact CD1-CD1 3.71Å; I518-I520 HydrophobicContact CD1-CG1 4.26Å; I518-I520 HydrophobicContact CG1-CD1 4.14Å; I518-I520 HydrophobicContact CG1-CG1 4.13Å; I518-I520 PolarHBondContact O-N 3.43Å; I520-V552 HydrophobicContact CG2-CG1 4.27Å; I520-I553 WeakPolarHBondContact CA-O 3.5Å; I520-V554 HydrophobicContact CD1-CG1 4.26Å; I520-V554 HydrophobicContact CG1-CG1 4.26Å; I520-V554 HydrophobicContact CG2-CG2 4.44Å
521F95.7Very high91.5Very high14 Ų1451.7 Ų51.76%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-119.8142.8-175.3-54.9-89.7000111.6V480 G483 P485 P505 T516 G519 V552 I553V480-F521 HydrophobicContact CG1-CE2 4.37Å; V480-F521 HydrophobicContact CG2-CD2 4.35Å; V480-F521 HydrophobicContact CG2-CE2 3.73Å; G483-F521 WeakPolarHBondContact O-CZ 3.44Å; P485-F521 HydrophobicContact CB-CB 4.49Å; P485-F521 HydrophobicContact CB-CD2 3.85Å; P485-F521 HydrophobicContact CB-CE2 4.28Å; P485-F521 HydrophobicContact CB-CG 4.15Å; P485-F521 HydrophobicContact CG-CB 4.06Å; P485-F521 HydrophobicContact CG-CD1 4.01Å; P485-F521 HydrophobicContact CG-CD2 3.91Å; P485-F521 HydrophobicContact CG-CE1 4.45Å; P485-F521 HydrophobicContact CG-CE2 4.36Å; P485-F521 HydrophobicContact CG-CG 3.72Å; P505-F521 HydrophobicContact CB-CD1 3.96Å; T516-F521 HydrophobicContact CG2-CD1 3.66Å; T516-F521 HydrophobicContact CG2-CE1 3.79Å; G519-F521 WeakPolarHBondContact O-CD2 3.29Å; G519-F521 WeakPolarHBondContact O-CE2 3.38Å; F521-V552 CarbonylContact O-C 3.54Å; F521-V552 WeakPolarHBondContact O-CA 3.44Å; F521-I553 HydrophobicContact CB-CB 4.3Å; F521-I553 PolarHBondContact N-O 3.42Å; F521-I553 PolarHBondContact O-N 3.09Å
522K94.4Very high91.9Very high43 Ų4350.7 Ų50.719%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-96.3123.2157.9174.7-173.6158.5-137.90107.6Q506 L551Q506-K522 PolarHBondContact N-O 3.43Å; Q506-K522 PolarHBondContact O-N 3.06Å; K522-L551 CarbonylContact C-O 3.44Å; K522-L551 WeakPolarHBondContact CA-O 3.29Å
523C93.2Very high92.1Very high6 Ų648.5 Ų48.54%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-125.9164.3-176-660000111.4F502 L551 I553F502-C523 HydrophobicContact CB-CB 3.77Å; F502-C523 HydrophobicContact CD1-CB 4.49Å; F502-C523 HydrophobicContact CG-CB 4.1Å; C523-L551 HydrophobicContact CB-CB 4.35Å; C523-L551 PolarHBondContact N-O 3Å; C523-L551 PolarHBondContact O-N 3.13Å; C523-L551 VanDerWaalsContact O-N 3.14Å; C523-I553 HydrophobicContact CB-CG1 4.45Å
524S87.3Confident92.1Very high55 Ų5547.9 Ų47.939%0.38528%0.283SS..  trans-102.4-92.5-179.854.40000112.4T503T503-S524 PolarHBondContact O-N 2.66Å; T503-S524 PolarHBondContact O-OG 3.01Å; T503-S524 PolarHBondContact OG1-OG 3.28Å
525V85Confident91.7Very high100 Ų10047.7 Ų47.761%0.60628%0.278SS*.  trans-119.5170.4179.8-63.80000110.8F502 T503F502-V525 WeakPolarHBondContact CA-O 3.3Å; T503-V525 PolarHBondContact N-O 3.14Å; T503-V525 WeakPolarHBondContact OG1-CG2 3.39Å; T503-V525 PolarHBondContact OG1-N 2.97Å; T503-V525 PolarHBondContact OG1-O 3.14Å
526V88Confident91.5Very high49 Ų4958.1 Ų58.130%0.29732%0.318SS..BIsolated β-bridgetrans-87131.5176.7-177.90000108.6L487 R500 F502L487-V526 HydrophobicContact CD1-CG1 4.02Å; L487-V526 HydrophobicContact CD2-CB 4.2Å; L487-V526 HydrophobicContact CD2-CG1 3.81Å; L487-V526 HydrophobicContact CD2-CG2 3.32Å; L487-V526 HydrophobicContact CG-CG1 3.82Å; L487-V526 HydrophobicContact CG-CG2 4.16Å; R500-V526 HydrophobicContact CB-CG1 3.74Å; F502-V526 HydrophobicContact CD1-CB 4.43Å; F502-V526 HydrophobicContact CD1-CG2 3.59Å; F502-V526 HydrophobicContact CE1-CG2 3.3Å; F502-V526 HydrophobicContact CZ-CG2 4.28Å
527S89.5Confident91.3Very high31 Ų3159 Ų5922%0.21732%0.321CS..  trans-61.9147.4177.1-175.20000112.3R500 Q501 A529R500-S527 VanDerWaalsContact CZ-O 3.28Å; R500-S527 PolarHBondContact NE-O 2.65Å; R500-S527 PolarHBondContact NH2-O 3.44Å; Q501-S527 WeakPolarHBondContact O-CB 3.43Å; Q501-S527 PolarHBondContact O-N 3.33Å; S527-A529 VanDerWaalsContact C-N 3.32Å; S527-A529 PolarHBondContact OG-N 3.14Å
528S88.6Confident91.3Very high105 Ų10555 Ų5573%0.73430%0.299SS*.SBendtrans-69.3-31.9168.554.90000112.4
529A91Very high91.3Very high64 Ų6457.4 Ų57.453%0.52931%0.313SS..  trans-68.2147.5177.700000111.3S527S527-A529 VanDerWaalsContact C-N 3.32Å; S527-A529 PolarHBondContact OG-N 3.14Å
530Y92.5Very high91.3Very high129 Ų12957 Ų5751%0.50631%0.307SS..  trans-135.2158.4175.869-92.1000111.3K498 F499 W532K498-Y530 HydrophobicContact CD-CD2 4.27Å; K498-Y530 HydrophobicContact CD-CG 4.39Å; K498-Y530 VanDerWaalsContact CE-CG 3.48Å; K498-Y530 HydrophobicContact CG-CD2 3.82Å; K498-Y530 HydrophobicContact CG-CG 4.04Å; F499-Y530 CarbonylContact O-C 3.59Å; F499-Y530 WeakPolarHBondContact O-CA 3.01Å; F499-Y530 WeakPolarHBondContact O-CB 3.39Å; Y530-W532 AromaticContact CE2-NE1 3.82Å
531S93.6Very high91.3Very high55 Ų5556.4 Ų56.439%0.38530%0.304SS..EExtended strand (participates in β ladder)trans-131158166.757.90000109.8F499F499-S531 PolarHBondContact N-O 3.42Å; F499-S531 PolarHBondContact O-N 2.98Å
532W93.3Very high91.3Very high93 Ų9355.8 Ų55.835%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-92128.6168.3-68.9103.4000108.6D490 Q492 L496 L497 K498 Y530D490-W532 HydrophobicContact CB-CH2 4.48Å; Q492-W532 HydrophobicContact CB-CZ3 4.23Å; Q492-W532 HydrophobicContact CG-CE3 4.22Å; Q492-W532 HydrophobicContact CG-CH2 3.47Å; Q492-W532 VanDerWaalsContact CG-CH2 3.47Å; Q492-W532 HydrophobicContact CG-CZ2 4.2Å; Q492-W532 HydrophobicContact CG-CZ3 3.47Å; Q492-W532 VanDerWaalsContact CG-CZ3 3.47Å; L496-W532 HydrophobicContact CB-CE3 3.9Å; L497-W532 WeakPolarHBondContact O-CA 3.48Å; K498-W532 HydrophobicContact CB-CE3 4.08Å; K498-W532 HydrophobicContact CB-CH2 3.75Å; K498-W532 HydrophobicContact CB-CZ2 4.29Å; K498-W532 HydrophobicContact CB-CZ3 3.64Å; K498-W532 HydrophobicContact CD-CH2 4.3Å; K498-W532 HydrophobicContact CD-CZ2 4.32Å; K498-W532 HydrophobicContact CG-CH2 4.3Å; K498-W532 HydrophobicContact CG-CZ2 4.39Å; Y530-W532 AromaticContact CE2-NE1 3.82Å
533V91.9Very high91.3Very high14 Ų1453.7 Ų53.79%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-128.5151.3-177.9-56.10000110.7V481 Y488 L497 F499V481-V533 HydrophobicContact CG1-CB 4.33Å; V481-V533 HydrophobicContact CG1-CG1 4.16Å; V481-V533 HydrophobicContact CG1-CG2 4.46Å; V481-V533 HydrophobicContact CG2-CG2 4.45Å; Y488-V533 HydrophobicContact CE1-CG2 3.53Å; Y488-V533 WeakPolarHBondContact OH-CG2 3.26Å; L497-V533 HydrophobicContact CB-CG2 4.08Å; L497-V533 PolarHBondContact N-O 3.06Å; L497-V533 PolarHBondContact O-N 3.04Å; F499-V533 HydrophobicContact CB-CG1 3.96Å; F499-V533 HydrophobicContact CB-CG2 3.86Å; F499-V533 HydrophobicContact CG-CG1 4.48Å
534S91Very high91.3Very high37 Ų3754.3 Ų54.326%0.25930%0.297SS..  trans-79.6149.1173.7-177.90000110R536 D537S534-R536 PolarHBondContact O-N 2.86Å; S534-R536 VanDerWaalsContact O-N 3.09Å; S534-R536 PolarHBondContact OG-N 2.66Å; S534-D537 VanDerWaalsContact CB-OD2 3.29Å; S534-D537 WeakPolarHBondContact CB-OD2 3.28Å; S534-D537 PolarHBondContact N-OD2 3Å; S534-D537 PolarHBondContact O-N 3.19Å
535I86.9Confident91.6Very high41 Ų4151.7 Ų51.721%0.2128%0.278CS..G310 helixtrans-57.2-22.8169.5-168.561.9000112.4I463 F465 I470 L497 D537 V538I463-I535 HydrophobicContact CD1-CB 3.86Å; I463-I535 HydrophobicContact CD1-CD1 4.13Å; I463-I535 HydrophobicContact CD1-CG1 3.91Å; I463-I535 HydrophobicContact CD1-CG2 4.27Å; I463-I535 HydrophobicContact CG1-CD1 4.42Å; I463-I535 HydrophobicContact CG1-CG1 4.39Å; I463-I535 HydrophobicContact CG2-CD1 3.95Å; F465-I535 HydrophobicContact CB-CD1 4.21Å; F465-I535 HydrophobicContact CD2-CD1 3.62Å; F465-I535 HydrophobicContact CD2-CG1 3.98Å; F465-I535 HydrophobicContact CE2-CD1 4.4Å; F465-I535 HydrophobicContact CG-CD1 4.24Å; I470-I535 HydrophobicContact CD1-CD1 4.13Å; L497-I535 HydrophobicContact CD1-CB 4.32Å; L497-I535 HydrophobicContact CD1-CD1 3.81Å; I535-D537 VanDerWaalsContact C-N 3.29Å; I535-V538 HydrophobicContact CD1-CG2 4.09Å; I535-V538 WeakPolarHBondContact O-CB 3.32Å; I535-V538 WeakPolarHBondContact O-CG2 3.22Å; I535-V538 PolarHBondContact O-N 2.77Å
536R89.2Confident91.7Very high220 Ų22051.9 Ų51.983%0.8328%0.276SS*.G310 helixtrans-72.4-21.7177.4-62.3-177.2-177.4177.40.3113.4S534 V538S534-R536 PolarHBondContact O-N 2.86Å; S534-R536 VanDerWaalsContact O-N 3.09Å; S534-R536 PolarHBondContact OG-N 2.66Å; R536-V538 VanDerWaalsContact C-N 3.25Å
537D91.8Very high91Very high63 Ų6350.7 Ų50.734%0.33727%0.269SS..G310 helixtrans-87.3-0.1179.5-49.5-39.2000111.8V481 S534 I535 D539V481-D537 HydrophobicContact CG1-CB 4.09Å; V481-D537 WeakPolarHBondContact CG1-O 3.41Å; S534-D537 VanDerWaalsContact CB-OD2 3.29Å; S534-D537 WeakPolarHBondContact CB-OD2 3.28Å; S534-D537 PolarHBondContact N-OD2 3Å; S534-D537 PolarHBondContact O-N 3.19Å; I535-D537 VanDerWaalsContact C-N 3.29Å; D537-D539 PolarHBondContact O-N 2.95Å
538V91.9Very high89.8Confident2 Ų254.4 Ų54.41%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-84.1114.4-178.1-173.50000109.9F465 I470 V479 V481 Y488 L497 I535 R536F465-V538 HydrophobicContact CD2-CB 4.43Å; F465-V538 HydrophobicContact CD2-CG1 4.46Å; F465-V538 HydrophobicContact CE1-CG1 4.19Å; F465-V538 HydrophobicContact CE2-CB 3.69Å; F465-V538 HydrophobicContact CE2-CG1 3.82Å; F465-V538 HydrophobicContact CZ-CB 3.96Å; F465-V538 HydrophobicContact CZ-CG1 3.65Å; F465-V538 WeakPolarHBondContact CZ-O 3.14Å; I470-V538 HydrophobicContact CD1-CG1 4.23Å; V479-V538 HydrophobicContact CB-CG1 4.09Å; V479-V538 HydrophobicContact CG1-CG1 4.11Å; V481-V538 HydrophobicContact CG2-CG2 4.39Å; Y488-V538 HydrophobicContact CE2-CG2 4.39Å; Y488-V538 WeakPolarHBondContact OH-CG2 3.38Å; L497-V538 HydrophobicContact CD1-CG2 4.32Å; I535-V538 HydrophobicContact CD1-CG2 4.09Å; I535-V538 WeakPolarHBondContact O-CB 3.32Å; I535-V538 WeakPolarHBondContact O-CG2 3.22Å; I535-V538 PolarHBondContact O-N 2.77Å; R536-V538 VanDerWaalsContact C-N 3.25Å
539D93.4Very high88.9Confident57 Ų5757 Ų5731%0.30530%0.296SS..EExtended strand (participates in β ladder)trans-71.7-48.4-179.4-58-39.5000110.4R466 V480 N482 G483 D537R466-D539 PolarHBondContact NH2-O 2.88Å; V480-D539 HydrophobicContact CB-CB 4.37Å; V480-D539 HydrophobicContact CG1-CB 4.3Å; V480-D539 WeakPolarHBondContact CG1-OD2 3.49Å; V480-D539 PolarHBondContact O-N 3.44Å; N482-D539 WeakPolarHBondContact CA-OD2 3.46Å; N482-D539 PolarHBondContact N-OD2 2.85Å; G483-D539 PolarHBondContact N-OD2 3.38Å; D537-D539 PolarHBondContact O-N 2.95Å
540C94.2Very high88.3Confident7 Ų760.4 Ų60.45%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-163162.1179.460.90000112.8V479 V480 T559 V560V479-C540 WeakPolarHBondContact CA-O 3.24Å; V479-C540 WeakPolarHBondContact CB-O 3.06Å; V480-C540 PolarHBondContact N-O 2.97Å; C540-T559 WeakPolarHBondContact CA-O 3.47Å; C540-V560 HydrophobicContact CB-CB 4.44Å; C540-V560 HydrophobicContact CB-CG2 3.8Å
541K95.3Very high88.3Confident0 Ų055.5 Ų55.50%028%0.277CS..EExtended strand (participates in β ladder)trans-86.8150.2165.5-173179.2176.6-173.30109.3D296 S468 Q469 I470 D476 L556 T559D296-K541 WeakPolarHBondContact OD2-CE 3.48Å; D296-K541 IonicContact OD2-NZ 3.95Å; D296-K541 PolarHBondContact OD2-NZ 2.87Å; S468-K541 WeakPolarHBondContact OG-CD 3.11Å; Q469-K541 WeakPolarHBondContact O-CE 3.36Å; Q469-K541 PolarHBondContact O-NZ 2.78Å; I470-K541 HydrophobicContact CG1-CD 4.16Å; I470-K541 HydrophobicContact CG1-CG 4.41Å; D476-K541 WeakPolarHBondContact O-CE 3.26Å; D476-K541 WeakPolarHBondContact OD1-CE 3.47Å; D476-K541 IonicContact OD1-NZ 2.93Å; D476-K541 PolarHBondContact OD1-NZ 3.3Å; K541-L556 HydrophobicContact CB-CD1 4.22Å; K541-L556 HydrophobicContact CD-CD1 3.91Å; K541-L556 HydrophobicContact CG-CD1 3.9Å; K541-L556 WeakPolarHBondContact O-CB 3.44Å; K541-L556 WeakPolarHBondContact O-CG 3.45Å; K541-L556 PolarHBondContact O-N 3.42Å; K541-T559 HydrophobicContact CB-CG2 4.02Å; K541-T559 PolarHBondContact N-OG1 3.26Å; K541-T559 PolarHBondContact O-OG1 3.17Å
542C95.5Very high88.3Confident0 Ų053 Ų530%026%0.26CS..EExtended strand (participates in β ladder)trans-129.9157.8-176.4-52.10000112.9V478 I553 V554V478-C542 HydrophobicContact CB-CB 4.5Å; V478-C542 HydrophobicContact CG1-CB 3.96Å; V478-C542 PolarHBondContact O-N 3.24Å; C542-I553 HydrophobicContact CB-CG2 3.5Å; C542-V554 CarbonylContact C-O 3.28Å; C542-V554 VanDerWaalsContact CA-O 3.31Å; C542-V554 WeakPolarHBondContact CA-O 3.29Å; C542-V554 WeakPolarHBondContact CB-O 3.32Å
543M94.5Very high88.4Confident0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-93.4136161.6-177.1164.8-173.600109.2T293 P294 F297 L317 L322 I545 I553 V554 L556T293-M543 HydrophobicContact CG2-CE 4.43Å; P294-M543 HydrophobicContact CG-CB 4.15Å; P294-M543 HydrophobicContact CG-CG 4.39Å; F297-M543 HydrophobicContact CE2-SD 4.35Å; L317-M543 HydrophobicContact CD1-CE 4.48Å; L317-M543 HydrophobicContact CD1-SD 3.95Å; L322-M543 HydrophobicContact CD2-CE 3.36Å; L322-M543 HydrophobicContact CD2-SD 4.23Å; L322-M543 HydrophobicContact CG-CE 4.37Å; M543-I545 HydrophobicContact CE-CG1 4.18Å; M543-I545 HydrophobicContact CG-CD1 4.49Å; M543-I545 HydrophobicContact CG-CG1 3.99Å; M543-I545 HydrophobicContact SD-CD1 4.49Å; M543-I545 HydrophobicContact SD-CG1 4.39Å; M543-I553 WeakPolarHBondContact O-CA 3.48Å; M543-V554 PolarHBondContact N-O 3.24Å; M543-V554 PolarHBondContact O-N 3.38Å; M543-L556 HydrophobicContact CB-CD2 3.94Å
544S93.7Very high88.6Confident19 Ų1948.2 Ų48.213%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-107.6121.4174.6-178.30000109.7S292 L551 I553S292-S544 VanDerWaalsContact CB-O 3.23Å; S292-S544 WeakPolarHBondContact CB-O 3.43Å; S544-L551 WeakPolarHBondContact OG-CD1 3.3Å; S544-L551 WeakPolarHBondContact OG-CG 3.36Å; S544-I553 WeakPolarHBondContact OG-CD1 3.23Å
545I92.9Very high88.8Confident0 Ų046.5 Ų46.50%023%0.229CC..EExtended strand (participates in β ladder)trans-114.9114.5-175.9-56172.1000108.2Y321 L322 V325 I326 M543 V552 V554Y321-I545 WeakPolarHBondContact O-CD1 3.39Å; L322-I545 HydrophobicContact CD2-CD1 4.11Å; L322-I545 HydrophobicContact CD2-CG1 4.37Å; V325-I545 HydrophobicContact CB-CD1 4.29Å; V325-I545 HydrophobicContact CB-CG2 4.06Å; V325-I545 HydrophobicContact CG1-CB 4.26Å; V325-I545 HydrophobicContact CG1-CG2 3.72Å; V325-I545 HydrophobicContact CG2-CD1 3.94Å; I326-I545 HydrophobicContact CG2-CG2 4.25Å; M543-I545 HydrophobicContact CE-CG1 4.18Å; M543-I545 HydrophobicContact CG-CD1 4.49Å; M543-I545 HydrophobicContact CG-CG1 3.99Å; M543-I545 HydrophobicContact SD-CD1 4.49Å; M543-I545 HydrophobicContact SD-CG1 4.39Å; I545-V552 PolarHBondContact N-O 3.2Å; I545-V552 PolarHBondContact O-N 3.25Å; I545-V554 HydrophobicContact CD1-CG2 4.3Å
546N86.4Confident89.3Confident104 Ų10444.6 Ų44.656%0.55622%0.219SC*.EExtended strand (participates in β ladder)trans-91.2109.7178.3-172.3-14.5000110.3L551N546-L551 HydrophobicContact CB-CD1 4.17Å
547C73.3Confident89.5Confident23 Ų2334.3 Ų34.316%0.15518%0.181CC..EExtended strand (participates in β ladder)trans-127.8111176.9-88.30000109.8V325 N549 R550V325-C547 HydrophobicContact CG1-CB 4.04Å; C547-N549 PolarHBondContact O-N 3.08Å; C547-R550 PolarHBondContact N-O 3.4Å; C547-R550 VanDerWaalsContact N-O 3.07Å; C547-R550 PolarHBondContact O-N 2.89Å; C547-R550 VanDerWaalsContact O-N 3.14Å
548V64.6Low89.4Confident109 Ų10934.6 Ų34.666%0.66118%0.18SC*.THydrogen-bonded Turntrans26.687.9172.9-169.20000113.7R550V548-R550 VanDerWaalsContact C-N 3.3Å; V548-R550 PolarHBondContact O-N 3.08Å
549N69.8Low89.5Confident160 Ų16034.5 Ų34.586%0.85618%0.179SC*.THydrogen-bonded Turntrans70.211.8176.5-53.5-17.7000116.1C547C547-N549 PolarHBondContact O-N 3.08Å
550R79.7Confident89.3Confident136 Ų13633 Ų3351%0.51317%0.172SC..EExtended strand (participates in β ladder)trans-141.6145.5177.9-61.9173.4-179.9-177.15.4111.1C547 V548C547-R550 PolarHBondContact N-O 3.4Å; C547-R550 VanDerWaalsContact N-O 3.07Å; C547-R550 PolarHBondContact O-N 2.89Å; C547-R550 VanDerWaalsContact O-N 3.14Å; V548-R550 VanDerWaalsContact C-N 3.3Å; V548-R550 PolarHBondContact O-N 3.08Å
551L91.1Very high88.3Confident25 Ų2539.3 Ų39.313%0.13120%0.203CC..EExtended strand (participates in β ladder)trans-106.1123.6172.3-161.866.8000108.7F502 K522 C523 S544 N546 I553F502-L551 HydrophobicContact CD1-CD2 3.74Å; F502-L551 HydrophobicContact CE1-CD2 3.21Å; F502-L551 HydrophobicContact CE2-CD2 4.44Å; F502-L551 HydrophobicContact CZ-CD2 3.65Å; K522-L551 CarbonylContact C-O 3.44Å; K522-L551 WeakPolarHBondContact CA-O 3.29Å; C523-L551 HydrophobicContact CB-CB 4.35Å; C523-L551 PolarHBondContact N-O 3Å; C523-L551 PolarHBondContact O-N 3.13Å; C523-L551 VanDerWaalsContact O-N 3.14Å; S544-L551 WeakPolarHBondContact OG-CD1 3.3Å; S544-L551 WeakPolarHBondContact OG-CG 3.36Å; N546-L551 HydrophobicContact CB-CD1 4.17Å; L551-I553 HydrophobicContact CD2-CD1 3.73Å; L551-I553 HydrophobicContact CG-CD1 3.79Å
552V94.2Very high88Confident4 Ų441.3 Ų41.32%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-107.2122.3173.6-174.40000108.7V325 Y508 I520 F521 I545 V554V325-V552 HydrophobicContact CG1-CB 4.03Å; V325-V552 HydrophobicContact CG1-CG2 3.74Å; V325-V552 HydrophobicContact CG2-CB 4.04Å; V325-V552 HydrophobicContact CG2-CG1 3.79Å; V325-V552 HydrophobicContact CG2-CG2 4.36Å; Y508-V552 HydrophobicContact CD1-CG1 4.16Å; Y508-V552 HydrophobicContact CD2-CG1 4.1Å; Y508-V552 HydrophobicContact CD2-CG2 3.7Å; Y508-V552 HydrophobicContact CE2-CG1 4.46Å; Y508-V552 HydrophobicContact CE2-CG2 3.72Å; Y508-V552 HydrophobicContact CG-CG1 3.97Å; Y508-V552 HydrophobicContact CG-CG2 4.41Å; I520-V552 HydrophobicContact CG2-CG1 4.27Å; F521-V552 CarbonylContact O-C 3.54Å; F521-V552 WeakPolarHBondContact O-CA 3.44Å; I545-V552 PolarHBondContact N-O 3.2Å; I545-V552 PolarHBondContact O-N 3.25Å; V552-V554 HydrophobicContact CG1-CG2 4.03Å
553I95.4Very high87.6Confident0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3121.4179.8-50.5-56.5000108V478 P485 F502 I520 F521 C523 C542 M543 S544 L551V478-I553 HydrophobicContact CG1-CD1 4.07Å; V478-I553 HydrophobicContact CG1-CG2 4.07Å; P485-I553 HydrophobicContact CB-CG1 4.42Å; P485-I553 HydrophobicContact CB-CG2 4.35Å; F502-I553 HydrophobicContact CD2-CD1 4.3Å; F502-I553 HydrophobicContact CD2-CG1 4.3Å; F502-I553 HydrophobicContact CE2-CD1 3.79Å; F502-I553 HydrophobicContact CE2-CG1 4.23Å; F502-I553 HydrophobicContact CZ-CD1 4.07Å; I520-I553 WeakPolarHBondContact CA-O 3.5Å; F521-I553 HydrophobicContact CB-CB 4.3Å; F521-I553 PolarHBondContact N-O 3.42Å; F521-I553 PolarHBondContact O-N 3.09Å; C523-I553 HydrophobicContact CB-CG1 4.45Å; C542-I553 HydrophobicContact CB-CG2 3.5Å; M543-I553 WeakPolarHBondContact O-CA 3.48Å; S544-I553 WeakPolarHBondContact OG-CD1 3.23Å; L551-I553 HydrophobicContact CD2-CD1 3.73Å; L551-I553 HydrophobicContact CG-CD1 3.79Å
554V95.8Very high87.2Confident5 Ų545.8 Ų45.83%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-122.8119.6-177.8-172.80000109.6Y321 Y347 I520 C542 M543 I545 V552Y321-V554 HydrophobicContact CD1-CB 4.16Å; Y321-V554 HydrophobicContact CD1-CG1 3.61Å; Y321-V554 HydrophobicContact CE1-CG1 4.05Å; Y347-V554 HydrophobicContact CE2-CG1 3.8Å; I520-V554 HydrophobicContact CD1-CG1 4.26Å; I520-V554 HydrophobicContact CG1-CG1 4.26Å; I520-V554 HydrophobicContact CG2-CG2 4.44Å; C542-V554 CarbonylContact C-O 3.28Å; C542-V554 VanDerWaalsContact CA-O 3.31Å; C542-V554 WeakPolarHBondContact CA-O 3.29Å; C542-V554 WeakPolarHBondContact CB-O 3.32Å; M543-V554 PolarHBondContact N-O 3.24Å; M543-V554 PolarHBondContact O-N 3.38Å; I545-V554 HydrophobicContact CD1-CG2 4.3Å; V552-V554 HydrophobicContact CG1-CG2 4.03Å
555P96Very high86.8Confident2 Ų247.4 Ų47.41%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-58.7135.2176.8-28.337.1000113Y321 Y347 G519 L557 V560Y321-P555 WeakPolarHBondContact CE1-O 3.36Å; Y347-P555 WeakPolarHBondContact OH-CD 3.44Å; Y347-P555 PolarHBondContact OH-O 2.85Å; G519-P555 WeakPolarHBondContact O-CD 3.05Å; G519-P555 WeakPolarHBondContact O-CG 3.35Å; P555-L557 PolarHBondContact O-N 2.95Å; P555-V560 HydrophobicContact CB-CG2 3.81Å
556L95.7Very high86.4Confident0 Ų050.4 Ų50.40%026%0.258CS..  trans-75.8109.2171-57.1-174000108.4P294 D296 F297 Y321 K541 M543 H558 T559 V560P294-L556 HydrophobicContact CB-CD1 4.05Å; P294-L556 HydrophobicContact CG-CD1 4.1Å; P294-L556 HydrophobicContact CG-CD2 4.37Å; D296-L556 HydrophobicContact CB-CD1 4.17Å; F297-L556 HydrophobicContact CE2-CD2 3.6Å; F297-L556 HydrophobicContact CZ-CD2 3.75Å; Y321-L556 HydrophobicContact CD1-CD2 4.41Å; Y321-L556 HydrophobicContact CE1-CD2 3.91Å; K541-L556 HydrophobicContact CB-CD1 4.22Å; K541-L556 HydrophobicContact CD-CD1 3.91Å; K541-L556 HydrophobicContact CG-CD1 3.9Å; K541-L556 WeakPolarHBondContact O-CB 3.44Å; K541-L556 WeakPolarHBondContact O-CG 3.45Å; K541-L556 PolarHBondContact O-N 3.42Å; M543-L556 HydrophobicContact CB-CD2 3.94Å; L556-H558 PolarHBondContact O-N 3.15Å; L556-H558 VanDerWaalsContact O-N 3.08Å; L556-T559 HydrophobicContact CB-CG2 4.02Å; L556-T559 WeakPolarHBondContact O-CA 3.49Å; L556-T559 WeakPolarHBondContact O-CB 3.22Å; L556-T559 PolarHBondContact O-N 3.39Å; L556-T559 PolarHBondContact O-OG1 3.48Å; L556-V560 PolarHBondContact O-N 2.89Å
557L94.5Very high86.4Confident4 Ų446.8 Ų46.82%0.02124%0.238CC..G310 helixtrans-52.4-36.9-171.2-67177.6000113.9L320 Y321 Y347 A350 H351 P555 T559 V560L320-L557 HydrophobicContact CD1-CD1 4.16Å; Y321-L557 PolarHBondContact OH-N 3.38Å; Y347-L557 HydrophobicContact CD1-CD2 4.33Å; Y347-L557 HydrophobicContact CD2-CD1 4.13Å; Y347-L557 HydrophobicContact CD2-CD2 4.36Å; Y347-L557 HydrophobicContact CD2-CG 4.39Å; Y347-L557 HydrophobicContact CE1-CD2 3.78Å; Y347-L557 HydrophobicContact CE2-CD1 4.21Å; Y347-L557 HydrophobicContact CE2-CD2 3.81Å; Y347-L557 HydrophobicContact CE2-CG 3.96Å; Y347-L557 VanDerWaalsContact CZ-CD2 3.5Å; A350-L557 HydrophobicContact CB-CD1 3.53Å; H351-L557 HydrophobicContact CB-CD2 4.19Å; P555-L557 PolarHBondContact O-N 2.95Å; L557-T559 PolarHBondContact O-N 3.02Å; L557-V560 PolarHBondContact O-N 3.48Å
558H90.5Very high87.4Confident69 Ų6948.5 Ų48.532%0.31924%0.244SC..G310 helixtrans-74.4-2.7178.664.1-84.4000114.2D296 L556D296-H558 IonicContact OD1-CD2 3.98Å; D296-H558 IonicContact OD1-CE1 3.23Å; D296-H558 IonicContact OD1-NE2 3.69Å; D296-H558 PolarHBondContact OD1-NE2 2.91Å; L556-H558 PolarHBondContact O-N 3.15Å; L556-H558 VanDerWaalsContact O-N 3.08Å
559T92.4Very high89.1Confident0 Ų043.8 Ų43.80%021%0.211CC..G310 helixtrans-115.10.3174.975.70000112.7R466 C540 K541 L556 L557R466-T559 PolarHBondContact NH1-O 2.99Å; C540-T559 WeakPolarHBondContact CA-O 3.47Å; K541-T559 HydrophobicContact CB-CG2 4.02Å; K541-T559 PolarHBondContact N-OG1 3.26Å; K541-T559 PolarHBondContact O-OG1 3.17Å; L556-T559 HydrophobicContact CB-CG2 4.02Å; L556-T559 WeakPolarHBondContact O-CA 3.49Å; L556-T559 WeakPolarHBondContact O-CB 3.22Å; L556-T559 PolarHBondContact O-N 3.39Å; L556-T559 PolarHBondContact O-OG1 3.48Å; L557-T559 PolarHBondContact O-N 3.02Å
560V89.8Confident90.7Very high25 Ų2534.2 Ų34.215%0.15216%0.158CC..  trans-82.2136173.9-1770000108.4P352 R466 C540 P555 L556 L557P352-V560 HydrophobicContact CG-CB 3.87Å; P352-V560 HydrophobicContact CG-CG1 4.12Å; R466-V560 PolarHBondContact NH1-O 3.33Å; C540-V560 HydrophobicContact CB-CB 4.44Å; C540-V560 HydrophobicContact CB-CG2 3.8Å; P555-V560 HydrophobicContact CB-CG2 3.81Å; L556-V560 PolarHBondContact O-N 2.89Å; L557-V560 PolarHBondContact O-N 3.48Å
561M73.7Confident91.7Very high140 Ų14024.9 Ų24.969%0.6913%0.125SC*.  trans-880178.5-126152.424.200108.7Q353 R466Q353-M561 WeakPolarHBondContact CG-O 3.29Å; Q353-M561 PolarHBondContact NE2-O 2.87Å; Q353-M561 PolarHBondContact NE2-OXT 2.99Å; R466-M561 VanDerWaalsContact CZ-CG 3.41Å; R466-M561 VanDerWaalsContact NH1-CG 3.25Å; R466-M561 VanDerWaalsContact NH2-CE 3.35Å; R466-M561 PolarHBondContact NH2-SD 3.02Å

Retrieved 561 of 561 residues in 135.3 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).