A0A096LV72_POEFO Loading...

Protein UXT

AlphaFold DB , UniProt , Accession A0A096LV72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1N39.1Very low42.8Very low198 Ų198167.4 Ų167.4100%1.05985%0.845SS**  0115.40-110.1-5.2000107.7
2R42.7Very low42.7Very low212 Ų212159 Ų15980%0.883%0.832SS**  cis-154.5136.815.1-78.5175.6176.3162.4-2.9109.1
3N41.4Very low43Very low152 Ų152153.1 Ų153.181%0.81381%0.812SS**  trans55.4104.7139.4-62.8-2.2000121.6
4R51.2Low43.3Very low245 Ų245146.2 Ų146.293%0.92579%0.788SS**  trans-35.5129.5134.6-69.5171.9171.9170-3.6111.5
5N38.4Very low43.9Very low143 Ų143139.6 Ų139.677%0.76577%0.768SS**  trans-141.982.7148.6-140.922.7000108.9M7N5-M7 PolarHBondContact O-N 3.37Å
6M39.2Very low44.4Very low181 Ų181135.4 Ų135.489%0.89275%0.75SS**  trans-66.3109.5157-85.8-162.517700106.6A8M6-A8 VanDerWaalsContact C-N 3.31Å; M6-A8 PolarHBondContact O-N 2.84Å
7M42.1Very low45.2Very low171 Ų171132 Ų13284%0.84273%0.73SS**  trans-69.996.1160.9-79.3-173.5168.400107.6N5 R9N5-M7 PolarHBondContact O-N 3.37Å; M7-R9 PolarHBondContact O-N 3.45Å
8A43.7Very low46Very low91 Ų91130.1 Ų130.175%0.75272%0.718SS**  trans-60.1118163.900000108.4M6M6-A8 VanDerWaalsContact C-N 3.31Å; M6-A8 PolarHBondContact O-N 2.84Å
9R46.4Very low47Very low231 Ų231129.8 Ų129.887%0.87271%0.711SS**  trans-58.6136.6162.7-86.816765.7176.50.3107.9M7 A11M7-R9 PolarHBondContact O-N 3.45Å; R9-A11 PolarHBondContact O-N 3.22Å
10P41.3Very low47.7Very low121 Ų121128.9 Ų128.979%0.78670%0.7SS**  trans-71100.1176.629.3-30.8000108.4G12P10-G12 PolarHBondContact O-N 3Å; P10-G12 VanDerWaalsContact O-N 3.09Å
11A44.8Very low48.7Very low96 Ų96123.3 Ų123.379%0.79367%0.67SS**THydrogen-bonded Turntrans-7829.6172.100000112.3R9R9-A11 PolarHBondContact O-N 3.22Å
12G41.7Very low50.1Low67 Ų67119.1 Ų119.169%0.69165%0.647SS**THydrogen-bonded Turntrans-89.5-21.5-17100000115.2P10P10-G12 PolarHBondContact O-N 3Å; P10-G12 VanDerWaalsContact O-N 3.09Å
13S46.4Very low51.3Low82 Ų82114.9 Ų114.957%0.57364%0.636SS**SBendtrans-101.7-29.4-175.965.10000114.5C16 L17S13-C16 PolarHBondContact O-N 2.81Å; S13-L17 PolarHBondContact O-N 2.8Å
14A47.4Very low52.5Low57 Ų57112.8 Ų112.847%0.47162%0.618SS.*Hα-helixtrans-68-41.3-175.100000112.9C16 L17 D18A14-C16 VanDerWaalsContact C-N 3.33Å; A14-C16 PolarHBondContact O-N 3.23Å; A14-L17 PolarHBondContact O-N 2.76Å; A14-D18 PolarHBondContact O-N 2.85Å
15G52.6Low53.4Low47 Ų47105.6 Ų105.649%0.48560%0.595SS.*Hα-helixtrans-67.3-29.5179.500000114.3Q19G15-Q19 WeakPolarHBondContact O-CB 3.41Å; G15-Q19 PolarHBondContact O-N 2.81Å
16C51.5Low55Low72 Ų72100.8 Ų100.849%0.48658%0.575SS.*Hα-helixtrans-75.2-36.9175.8-176.30000111.7S13 A14 K20S13-C16 PolarHBondContact O-N 2.81Å; A14-C16 VanDerWaalsContact C-N 3.33Å; A14-C16 PolarHBondContact O-N 3.23Å; C16-K20 WeakPolarHBondContact O-CG 3.34Å; C16-K20 PolarHBondContact O-N 3.4Å; C16-K20 VanDerWaalsContact O-N 3.09Å
17L58.5Low56.5Low78 Ų7897.4 Ų97.441%0.40856%0.555SS.*Hα-helixtrans-65.4-46.4175.4-78.1159.6000111.4S13 A14 Q19 K20 V21S13-L17 PolarHBondContact O-N 2.8Å; A14-L17 PolarHBondContact O-N 2.76Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 2.99Å; L17-K20 PolarHBondContact O-N 2.96Å; L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.49Å
18D60.1Low58Low97 Ų9789.5 Ų89.552%0.51952%0.516SS..Hα-helixtrans-61.7-39177-85.1-24.2000112.5A14 V21 L22A14-D18 PolarHBondContact O-N 2.85Å; D18-V21 PolarHBondContact O-N 3.11Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 WeakPolarHBondContact O-CG 3.44Å; D18-L22 PolarHBondContact O-N 3.06Å
19Q63.8Low59.3Low125 Ų12588.2 Ų88.258%0.58450%0.497SS*.Hα-helixtrans-68.8-35.4177.9-165.916410.500112.4G15 L17 Q23G15-Q19 WeakPolarHBondContact O-CB 3.41Å; G15-Q19 PolarHBondContact O-N 2.81Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 2.99Å; Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 3.49Å; Q19-Q23 VanDerWaalsContact O-N 3.13Å
20K62.3Low60.5Low111 Ų11182.4 Ų82.448%0.48348%0.483SS..Hα-helixtrans-68.4-43.2171.9-74-166.8179.3-170.90111.5C16 L17 L22 Q23 Y24C16-K20 WeakPolarHBondContact O-CG 3.34Å; C16-K20 PolarHBondContact O-N 3.4Å; C16-K20 VanDerWaalsContact O-N 3.09Å; L17-K20 PolarHBondContact O-N 2.96Å; K20-L22 PolarHBondContact O-N 3.21Å; K20-Q23 PolarHBondContact O-N 3.03Å; K20-Y24 HydrophobicContact CB-CD2 4.3Å; K20-Y24 HydrophobicContact CB-CE2 4.09Å; K20-Y24 WeakPolarHBondContact O-CD2 3.18Å; K20-Y24 PolarHBondContact O-N 3.25Å
21V67.8Low61.9Low13 Ų1379.2 Ų79.28%0.07946%0.462CS..Hα-helixtrans-56.3-49.1175.5171.20000110.5L17 D18 Q23 Y24 E25 L146 Q150L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.49Å; D18-V21 PolarHBondContact O-N 3.11Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.21Å; V21-Y24 CarbonylContact O-C 3.58Å; V21-Y24 PolarHBondContact O-N 2.99Å; V21-Y24 VanDerWaalsContact O-N 3.11Å; V21-E25 HydrophobicContact CG1-CG 4.32Å; V21-E25 WeakPolarHBondContact O-CG 3.42Å; V21-E25 PolarHBondContact O-N 2.91Å; V21-L146 HydrophobicContact CG2-CD2 4.02Å; V21-Q150 HydrophobicContact CG2-CG 4.48Å
22L69.5Low63.2Low110 Ų11075.5 Ų75.558%0.57643%0.428SS*.Hα-helixtrans-60.7-40177.6-76.1163.8000112.6D18 K20 Y24 E25 A26D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 WeakPolarHBondContact O-CG 3.44Å; D18-L22 PolarHBondContact O-N 3.06Å; K20-L22 PolarHBondContact O-N 3.21Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; L22-E25 PolarHBondContact O-N 2.57Å; L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.91Å
23Q68Low64.9Low122 Ų12278.4 Ų78.457%0.5742%0.418SS*.Hα-helixtrans-65.5-37.7174.8-74.3175.9500112.2Q19 K20 V21 F27Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 3.49Å; Q19-Q23 VanDerWaalsContact O-N 3.13Å; K20-Q23 PolarHBondContact O-N 3.03Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.21Å; Q23-F27 VanDerWaalsContact O-CB 3.28Å; Q23-F27 WeakPolarHBondContact O-CB 3.47Å; Q23-F27 PolarHBondContact O-N 3.2Å
24Y66.3Low66.6Low109 Ų10982.7 Ų82.743%0.42742%0.422SS..Hα-helixtrans-73.5-38176.4-72.8-63.8000112.5K20 V21 L22 F27 I28 V142 L146K20-Y24 HydrophobicContact CB-CD2 4.3Å; K20-Y24 HydrophobicContact CB-CE2 4.09Å; K20-Y24 WeakPolarHBondContact O-CD2 3.18Å; K20-Y24 PolarHBondContact O-N 3.25Å; V21-Y24 CarbonylContact O-C 3.58Å; V21-Y24 PolarHBondContact O-N 2.99Å; V21-Y24 VanDerWaalsContact O-N 3.11Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-F27 PolarHBondContact O-N 3.43Å; Y24-I28 WeakPolarHBondContact O-CB 3.44Å; Y24-I28 WeakPolarHBondContact O-CD1 3.36Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 2.94Å; Y24-V142 HydrophobicContact CD1-CG1 4.24Å; Y24-V142 HydrophobicContact CG-CG1 4.47Å; Y24-L146 HydrophobicContact CD2-CD2 3.86Å; Y24-L146 HydrophobicContact CG-CD2 4.35Å
25E69.4Low68Low94 Ų9483.4 Ų83.444%0.43942%0.418SS..Hα-helixtrans-63.2-42.5172.6-75.6-173.816100111.6V21 L22 I28 N29V21-E25 HydrophobicContact CG1-CG 4.32Å; V21-E25 WeakPolarHBondContact O-CG 3.42Å; V21-E25 PolarHBondContact O-N 2.91Å; L22-E25 PolarHBondContact O-N 2.57Å; E25-I28 PolarHBondContact O-N 2.89Å; E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.48Å; E25-N29 PolarHBondContact O-ND2 2.89Å
26A72.6Confident69.2Low42 Ų4282.7 Ų82.735%0.34740%0.403SS..Hα-helixtrans-62.6-46.8172.900000110.7L22 I28 N29 D30L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.91Å; A26-I28 PolarHBondContact O-N 2.94Å; A26-N29 PolarHBondContact O-N 3.47Å; A26-D30 WeakPolarHBondContact O-CB 3.5Å; A26-D30 PolarHBondContact O-N 3.48Å
27F71.1Confident70.8Confident109 Ų10986.1 Ų86.148%0.47841%0.405SS..Hα-helixtrans-61.7-40.4177.1-174.9-100.8000112.8Q23 Y24 V31 L32Q23-F27 VanDerWaalsContact O-CB 3.28Å; Q23-F27 WeakPolarHBondContact O-CB 3.47Å; Q23-F27 PolarHBondContact O-N 3.2Å; Y24-F27 PolarHBondContact O-N 3.43Å; F27-V31 HydrophobicContact CD2-CB 4.22Å; F27-V31 HydrophobicContact CD2-CG2 3.8Å; F27-V31 HydrophobicContact CE2-CB 4.09Å; F27-V31 HydrophobicContact CE2-CG1 4.23Å; F27-V31 HydrophobicContact CE2-CG2 3.88Å; F27-V31 HydrophobicContact CZ-CB 4.45Å; F27-V31 HydrophobicContact CZ-CG1 4.37Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 PolarHBondContact O-N 2.94Å; F27-L32 HydrophobicContact CD1-CD1 3.91Å; F27-L32 HydrophobicContact CE1-CD1 3.81Å; F27-L32 HydrophobicContact CE1-CG 4.28Å; F27-L32 PolarHBondContact O-N 2.95Å
28I72.4Confident72Confident5 Ų584.7 Ų84.73%0.02641%0.405CS..Iπ-helixtrans-64-47175.1-71.9162000110.9Y24 E25 A26 L32 R33 I139 V142 L143Y24-I28 WeakPolarHBondContact O-CB 3.44Å; Y24-I28 WeakPolarHBondContact O-CD1 3.36Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 2.94Å; E25-I28 PolarHBondContact O-N 2.89Å; A26-I28 PolarHBondContact O-N 2.94Å; I28-L32 HydrophobicContact CG1-CD1 4.03Å; I28-L32 PolarHBondContact O-N 3.33Å; I28-R33 WeakPolarHBondContact O-CG 3.5Å; I28-R33 PolarHBondContact O-N 3.45Å; I28-I139 HydrophobicContact CG2-CG2 3.93Å; I28-V142 HydrophobicContact CD1-CB 4.19Å; I28-V142 HydrophobicContact CD1-CG1 3.73Å; I28-V142 HydrophobicContact CG1-CG1 4.36Å; I28-L143 HydrophobicContact CD1-CD2 3.76Å; I28-L143 HydrophobicContact CD1-CG 4.02Å
29N72.2Confident73.1Confident64 Ų6481.1 Ų81.134%0.34239%0.387SS..Iπ-helixtrans-73.2-41.4-177.1-85.1-47.2000113.5E25 A26 R33E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.48Å; E25-N29 PolarHBondContact O-ND2 2.89Å; A26-N29 PolarHBondContact O-N 3.47Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 WeakPolarHBondContact OD1-CD 2.96Å; N29-R33 PolarHBondContact OD1-NE 3.33Å; N29-R33 PolarHBondContact OD1-NH1 3.5Å
30D69.8Low73.9Confident110 Ų11077.3 Ų77.359%0.58837%0.372SS*.Iπ-helixtrans-88.6-33.1-170-66.6-20.2000112.6A26 R34A26-D30 WeakPolarHBondContact O-CB 3.5Å; A26-D30 PolarHBondContact O-N 3.48Å; D30-R34 WeakPolarHBondContact O-CB 3.46Å
31V72.5Confident75.2Confident54 Ų5477.2 Ų77.233%0.32737%0.373SS..Iπ-helixtrans-103.6-66.3-178.8-172.90000109.9F27 R33 R34 D35F27-V31 HydrophobicContact CD2-CB 4.22Å; F27-V31 HydrophobicContact CD2-CG2 3.8Å; F27-V31 HydrophobicContact CE2-CB 4.09Å; F27-V31 HydrophobicContact CE2-CG1 4.23Å; F27-V31 HydrophobicContact CE2-CG2 3.88Å; F27-V31 HydrophobicContact CZ-CB 4.45Å; F27-V31 HydrophobicContact CZ-CG1 4.37Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 PolarHBondContact O-N 2.94Å; V31-R33 PolarHBondContact O-N 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.47Å; V31-R34 PolarHBondContact O-N 3.49Å; V31-R34 VanDerWaalsContact O-N 3.12Å; V31-D35 WeakPolarHBondContact O-CB 3.41Å; V31-D35 VanDerWaalsContact O-CG 3.24Å; V31-D35 PolarHBondContact O-N 3.31Å
32L71.7Confident76.1Confident18 Ų1880.5 Ų80.59%0.09439%0.388CS..Iπ-helixtrans-65.9-40-169.6-74.6152.8000113.5F27 I28 L36 I135 H138 I139F27-L32 HydrophobicContact CD1-CD1 3.91Å; F27-L32 HydrophobicContact CE1-CD1 3.81Å; F27-L32 HydrophobicContact CE1-CG 4.28Å; F27-L32 PolarHBondContact O-N 2.95Å; I28-L32 HydrophobicContact CG1-CD1 4.03Å; I28-L32 PolarHBondContact O-N 3.33Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3Å; L32-I135 HydrophobicContact CB-CG2 4.48Å; L32-I135 HydrophobicContact CD2-CG2 3.91Å; L32-H138 HydrophobicContact CD2-CB 4.37Å; L32-I139 HydrophobicContact CB-CD1 3.8Å; L32-I139 HydrophobicContact CB-CG1 3.52Å; L32-I139 HydrophobicContact CD1-CG1 3.97Å; L32-I139 HydrophobicContact CD2-CG1 4.08Å; L32-I139 HydrophobicContact CG-CG1 4.07Å
33R76.2Confident76.8Confident127 Ų12779.1 Ų79.148%0.47938%0.375SS..Hα-helixtrans-71.9-32.5174.6-72.7-173.8-179.8-175.2-8.6112.5I28 N29 V31 R37I28-R33 WeakPolarHBondContact O-CG 3.5Å; I28-R33 PolarHBondContact O-N 3.45Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 WeakPolarHBondContact OD1-CD 2.96Å; N29-R33 PolarHBondContact OD1-NE 3.33Å; N29-R33 PolarHBondContact OD1-NH1 3.5Å; V31-R33 PolarHBondContact O-N 3.32Å; R33-R37 WeakPolarHBondContact O-CG 3.21Å; R33-R37 PolarHBondContact O-N 3.26Å
34R82.3Confident77.8Confident173 Ų17376.9 Ų76.965%0.65337%0.367SS*.Hα-helixtrans-67.9-46.5174.8-177-179.1177.8173-0.8110.8D30 V31 L36 R37 A38D30-R34 WeakPolarHBondContact O-CB 3.46Å; V31-R34 WeakPolarHBondContact O-CB 3.47Å; V31-R34 PolarHBondContact O-N 3.49Å; V31-R34 VanDerWaalsContact O-N 3.12Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.21Å; R34-R37 WeakPolarHBondContact O-CB 3.38Å; R34-R37 PolarHBondContact O-N 2.9Å; R34-A38 PolarHBondContact O-N 2.99Å
35D78.3Confident78.9Confident71 Ų7179.3 Ų79.338%0.3838%0.375SS..Hα-helixtrans-62.4-42.4176.9-69.4-12.1000110.8V31 R37 A38 V39 I135V31-D35 WeakPolarHBondContact O-CB 3.41Å; V31-D35 VanDerWaalsContact O-CG 3.24Å; V31-D35 PolarHBondContact O-N 3.31Å; D35-R37 VanDerWaalsContact C-N 3.35Å; D35-R37 PolarHBondContact O-N 3.47Å; D35-A38 PolarHBondContact O-N 3.15Å; D35-V39 VanDerWaalsContact O-CG2 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.48Å; D35-V39 PolarHBondContact O-N 2.92Å; D35-I135 HydrophobicContact CB-CD1 4.23Å
36L77.4Confident79.8Confident33 Ų3375.6 Ų75.617%0.17336%0.358CS..Hα-helixtrans-60.4-44.2174.8-178.862.1000111.9L32 R34 V39 V40 A132 I135 K136L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.21Å; L36-V39 PolarHBondContact O-N 3.46Å; L36-V40 HydrophobicContact CD1-CG2 4.38Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 3.05Å; L36-A132 HydrophobicContact CD1-CB 4.01Å; L36-I135 HydrophobicContact CB-CG2 4.12Å; L36-K136 HydrophobicContact CD1-CG 4.09Å; L36-K136 HydrophobicContact CD2-CG 3.99Å
37R84.3Confident80.4Confident143 Ų14379 Ų7954%0.5436%0.363SS..Hα-helixtrans-60.5-46.5174.8-80.4-174.7-69.9-105.5-2.4111.3R33 R34 D35 V39 V40 E41R33-R37 WeakPolarHBondContact O-CG 3.21Å; R33-R37 PolarHBondContact O-N 3.26Å; R34-R37 WeakPolarHBondContact O-CB 3.38Å; R34-R37 PolarHBondContact O-N 2.9Å; D35-R37 VanDerWaalsContact C-N 3.35Å; D35-R37 PolarHBondContact O-N 3.47Å; R37-V39 PolarHBondContact O-N 2.9Å; R37-V40 PolarHBondContact O-N 3.19Å; R37-E41 WeakPolarHBondContact O-CG 3.48Å; R37-E41 PolarHBondContact O-N 3.21Å
38A85Confident81.3Confident49 Ų4979.4 Ų79.441%0.40537%0.366SS..Hα-helixtrans-60.6-43179.400000112.3R34 D35 E41 Q42R34-A38 PolarHBondContact O-N 2.99Å; D35-A38 PolarHBondContact O-N 3.15Å; A38-E41 PolarHBondContact O-N 3Å; A38-Q42 VanDerWaalsContact O-CB 3.3Å; A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.91Å
39V83.4Confident82Confident22 Ų2284.8 Ų84.813%0.13339%0.389CS..Hα-helixtrans-64.9-40.1176.9173.10000111.4D35 L36 R37 Q42 R43 L128 A132 I135D35-V39 VanDerWaalsContact O-CG2 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.48Å; D35-V39 PolarHBondContact O-N 2.92Å; L36-V39 PolarHBondContact O-N 3.46Å; R37-V39 PolarHBondContact O-N 2.9Å; V39-Q42 PolarHBondContact O-N 2.77Å; V39-R43 WeakPolarHBondContact O-CB 3.4Å; V39-R43 PolarHBondContact O-N 3.44Å; V39-L128 HydrophobicContact CG1-CB 4.16Å; V39-L128 HydrophobicContact CG1-CD2 4.2Å; V39-L128 WeakPolarHBondContact CG1-O 3.11Å; V39-A132 HydrophobicContact CG1-CB 3.87Å; V39-I135 HydrophobicContact CG2-CD1 4.15Å
40V80.1Confident82.7Confident45 Ų4583.2 Ų83.227%0.27338%0.38SS..Hα-helixtrans-66.4-46.8176.5171.20000111.2L36 R37 Q42 R43 D44L36-V40 HydrophobicContact CD1-CG2 4.38Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 3.05Å; R37-V40 PolarHBondContact O-N 3.19Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.28Å; V40-R43 WeakPolarHBondContact O-CB 3.43Å; V40-R43 PolarHBondContact O-N 3.06Å; V40-R43 VanDerWaalsContact O-N 3.17Å; V40-D44 PolarHBondContact O-N 3.5Å
41E89Confident83.6Confident108 Ų10880.5 Ų80.551%0.50537%0.37SS..Hα-helixtrans-60.4-41.6175.9-75.1179-174.800112R37 A38 R43 D44 R45R37-E41 WeakPolarHBondContact O-CG 3.48Å; R37-E41 PolarHBondContact O-N 3.21Å; A38-E41 PolarHBondContact O-N 3Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; E41-D44 PolarHBondContact O-N 2.96Å; E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 3.21Å
42Q86.3Confident84.4Confident83 Ų8383 Ų8339%0.38838%0.378SS..Hα-helixtrans-62.4-42.1176.3-175.2175.9-600111.3A38 V39 V40 R45 L46 F124 L128A38-Q42 VanDerWaalsContact O-CB 3.3Å; A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.91Å; V39-Q42 PolarHBondContact O-N 2.77Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.28Å; Q42-R45 PolarHBondContact O-N 3.25Å; Q42-L46 VanDerWaalsContact O-CG 3.31Å; Q42-L46 WeakPolarHBondContact O-CG 3.32Å; Q42-L46 PolarHBondContact O-N 2.89Å; Q42-F124 VanDerWaalsContact NE2-CZ 3.34Å; Q42-L128 HydrophobicContact CB-CD1 4.42Å; Q42-L128 HydrophobicContact CG-CD1 3.91Å
43R85.1Confident85.2Confident80 Ų8084.6 Ų84.630%0.30238%0.383SS..Hα-helixtrans-61.4-43.6174.6-172.9-156.764.9-180-3.9111.6V39 V40 E41 R45 L46 Y47 T125 L128V39-R43 WeakPolarHBondContact O-CB 3.4Å; V39-R43 PolarHBondContact O-N 3.44Å; V40-R43 WeakPolarHBondContact O-CB 3.43Å; V40-R43 PolarHBondContact O-N 3.06Å; V40-R43 VanDerWaalsContact O-N 3.17Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; R43-R45 PolarHBondContact O-N 3.22Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 2.85Å; R43-L46 VanDerWaalsContact O-N 3.09Å; R43-Y47 HydrophobicContact CG-CD2 3.95Å; R43-Y47 HydrophobicContact CG-CE2 3.57Å; R43-Y47 WeakPolarHBondContact O-CD2 3.37Å; R43-Y47 PolarHBondContact O-N 3.27Å; R43-T125 HydrophobicContact CG-CG2 3.99Å; R43-L128 HydrophobicContact CB-CD1 4.49Å
44D87.8Confident85.8Confident75 Ų7583.5 Ų83.540%0.40139%0.386SS..Hα-helixtrans-65.8-39.7-178.6-64.2-11.7000111.4V40 E41 L46 Y47 E48V40-D44 PolarHBondContact O-N 3.5Å; E41-D44 PolarHBondContact O-N 2.96Å; D44-L46 PolarHBondContact O-N 3.42Å; D44-Y47 PolarHBondContact O-N 3.41Å; D44-Y47 VanDerWaalsContact O-N 3.17Å; D44-E48 PolarHBondContact O-N 3.1Å
45R89.3Confident86.1Confident161 Ų16180.9 Ų80.961%0.60838%0.381SS*.Hα-helixtrans-60.7-32.3171.6-69.9176.4-174.31795.4113.3E41 Q42 R43 K49E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 3.21Å; Q42-R45 PolarHBondContact O-N 3.25Å; R43-R45 PolarHBondContact O-N 3.22Å; R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.14Å
46L88.4Confident86.6Confident15 Ų1580.2 Ų80.28%0.07938%0.378CS..Hα-helixtrans-73.3-41175.7-64.6162.4000110.9Q42 R43 D44 E48 K49 M50 L121 F124 L128Q42-L46 VanDerWaalsContact O-CG 3.31Å; Q42-L46 WeakPolarHBondContact O-CG 3.32Å; Q42-L46 PolarHBondContact O-N 2.89Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 2.85Å; R43-L46 VanDerWaalsContact O-N 3.09Å; D44-L46 PolarHBondContact O-N 3.42Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 3.06Å; L46-K49 WeakPolarHBondContact O-CB 3.45Å; L46-K49 PolarHBondContact O-N 3.39Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.23Å; L46-M50 PolarHBondContact O-N 2.94Å; L46-L121 HydrophobicContact CD2-CD2 3.54Å; L46-F124 HydrophobicContact CD1-CD1 3.29Å; L46-F124 HydrophobicContact CD1-CE1 3.71Å; L46-F124 HydrophobicContact CD1-CG 4.4Å; L46-F124 HydrophobicContact CD2-CD1 3.82Å; L46-F124 HydrophobicContact CD2-CE1 4.23Å; L46-F124 HydrophobicContact CG-CD1 4.18Å; L46-L128 HydrophobicContact CD1-CD1 3.36Å
47Y85.8Confident87.1Confident114 Ų11481.2 Ų81.245%0.44738%0.381SS..Hα-helixtrans-62.2-39.3175.1-79.3-59.1000112.6R43 D44 K49 M50 S51 T125R43-Y47 HydrophobicContact CG-CD2 3.95Å; R43-Y47 HydrophobicContact CG-CE2 3.57Å; R43-Y47 WeakPolarHBondContact O-CD2 3.37Å; R43-Y47 PolarHBondContact O-N 3.27Å; D44-Y47 PolarHBondContact O-N 3.41Å; D44-Y47 VanDerWaalsContact O-N 3.17Å; Y47-K49 PolarHBondContact O-N 3.15Å; Y47-M50 HydrophobicContact CD1-SD 4.06Å; Y47-M50 HydrophobicContact CE1-SD 4.41Å; Y47-M50 PolarHBondContact O-N 2.94Å; Y47-S51 PolarHBondContact O-N 3.31Å; Y47-T125 HydrophobicContact CE1-CG2 4.11Å; Y47-T125 HydrophobicContact CE2-CG2 3.96Å; Y47-T125 WeakPolarHBondContact OH-CG2 3.2Å
48E90.1Very high87.4Confident118 Ų11878.2 Ų78.255%0.55138%0.375SS*.Hα-helixtrans-59.4-46.4173.1-172177.2-161.300111.1D44 L46 M50 S51 H52D44-E48 PolarHBondContact O-N 3.1Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 3.06Å; E48-M50 PolarHBondContact O-N 2.92Å; E48-S51 WeakPolarHBondContact O-CB 3.44Å; E48-S51 PolarHBondContact O-N 3.25Å; E48-S51 VanDerWaalsContact O-N 3.15Å; E48-H52 PolarHBondContact O-N 3.48Å
49K87Confident87.5Confident117 Ų11778.5 Ų78.551%0.50938%0.378SS..Hα-helixtrans-60.6-42.5173.6-71.4175.2-179.1-177.80112.4R45 L46 Y47 S51 H52 Y53 L121R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.14Å; L46-K49 WeakPolarHBondContact O-CB 3.45Å; L46-K49 PolarHBondContact O-N 3.39Å; Y47-K49 PolarHBondContact O-N 3.15Å; K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.85Å; K49-H52 PolarHBondContact O-N 3.43Å; K49-Y53 WeakPolarHBondContact O-CD2 3.12Å; K49-Y53 PolarHBondContact O-N 3.41Å; K49-L121 HydrophobicContact CB-CD1 4.46Å
50M87.4Confident87.7Confident31 Ų3177.7 Ų77.715%0.15337%0.372CS..Hα-helixtrans-61.9-37.4176.2-68.2171.198.500111.3L46 Y47 E48 Y53 L54 T118 L121 T122L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.23Å; L46-M50 PolarHBondContact O-N 2.94Å; Y47-M50 HydrophobicContact CD1-SD 4.06Å; Y47-M50 HydrophobicContact CE1-SD 4.41Å; Y47-M50 PolarHBondContact O-N 2.94Å; E48-M50 PolarHBondContact O-N 2.92Å; M50-Y53 PolarHBondContact O-N 3.47Å; M50-L54 PolarHBondContact O-N 3.27Å; M50-T118 HydrophobicContact CE-CG2 4.14Å; M50-L121 HydrophobicContact CE-CB 4.07Å; M50-L121 HydrophobicContact CG-CB 3.72Å; M50-L121 HydrophobicContact CG-CD1 3.79Å; M50-L121 HydrophobicContact CG-CG 4.33Å; M50-L121 HydrophobicContact SD-CB 3.99Å; M50-T122 WeakPolarHBondContact CE-OG1 3.47Å
51S89.3Confident88Confident54 Ų5479.1 Ų79.138%0.37838%0.376SS..Hα-helixtrans-62.5-45.4174.8-171.10000111.8Y47 E48 K49 Y53 L54 Q55Y47-S51 PolarHBondContact O-N 3.31Å; E48-S51 WeakPolarHBondContact O-CB 3.44Å; E48-S51 PolarHBondContact O-N 3.25Å; E48-S51 VanDerWaalsContact O-N 3.15Å; K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.85Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-L54 WeakPolarHBondContact O-CB 3.39Å; S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 VanDerWaalsContact O-N 3.14Å; S51-Q55 WeakPolarHBondContact O-CG 3.44Å; S51-Q55 PolarHBondContact O-N 3.02Å
52H88.3Confident87.8Confident106 Ų10677.4 Ų77.449%0.49138%0.376SS..Hα-helixtrans-60.7-40.3175.2-65.7173.7000112.2E48 K49 Q55 L56E48-H52 PolarHBondContact O-N 3.48Å; K49-H52 PolarHBondContact O-N 3.43Å; H52-Q55 PolarHBondContact O-N 3.09Å; H52-L56 WeakPolarHBondContact O-CB 3.37Å; H52-L56 PolarHBondContact O-N 2.78Å
53Y88.1Confident87.7Confident52 Ų5274.9 Ų74.920%0.20437%0.365CS..Hα-helixtrans-65-37.5175-79.3-60000112.7K49 M50 S51 L56 K57 I114 K117 L121K49-Y53 WeakPolarHBondContact O-CD2 3.12Å; K49-Y53 PolarHBondContact O-N 3.41Å; M50-Y53 PolarHBondContact O-N 3.47Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-L56 PolarHBondContact O-N 2.73Å; Y53-K57 WeakPolarHBondContact O-CB 3.45Å; Y53-K57 PolarHBondContact O-N 3.48Å; Y53-I114 HydrophobicContact CD1-CG1 4.24Å; Y53-I114 HydrophobicContact CD1-CG2 4.35Å; Y53-K117 HydrophobicContact CE1-CB 4.37Å; Y53-K117 HydrophobicContact CE2-CB 4.41Å; Y53-L121 HydrophobicContact CD2-CD1 3.66Å; Y53-L121 HydrophobicContact CE2-CD1 3.68Å
54L88.9Confident87.6Confident104 Ų10474.5 Ų74.555%0.54537%0.367SS..Hα-helixtrans-65.6-44.1175.2-166.198000111.5M50 S51 L56 K57 N58M50-L54 PolarHBondContact O-N 3.27Å; S51-L54 WeakPolarHBondContact O-CB 3.39Å; S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 VanDerWaalsContact O-N 3.14Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.27Å; L54-K57 WeakPolarHBondContact O-CB 3.47Å; L54-K57 PolarHBondContact O-N 2.89Å; L54-N58 PolarHBondContact O-N 3.3Å
55Q89.3Confident87.2Confident117 Ų11778.8 Ų78.855%0.54738%0.384SS..Hα-helixtrans-60.1-44.4174.9-71172.8-4.500111.3S51 H52 K57 N58 A59S51-Q55 WeakPolarHBondContact O-CG 3.44Å; S51-Q55 PolarHBondContact O-N 3.02Å; H52-Q55 PolarHBondContact O-N 3.09Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.22Å; Q55-N58 PolarHBondContact O-N 3.28Å; Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 3.45Å
56L88.1Confident86.5Confident58 Ų5873.8 Ų73.830%0.30438%0.378SS..Hα-helixtrans-61-43175.9-178.462.4000111.5H52 Y53 L54 N58 A59 I60 I114H52-L56 WeakPolarHBondContact O-CB 3.37Å; H52-L56 PolarHBondContact O-N 2.78Å; Y53-L56 PolarHBondContact O-N 2.73Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.27Å; L56-N58 PolarHBondContact O-N 2.83Å; L56-A59 PolarHBondContact O-N 2.89Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.34Å; L56-I60 HydrophobicContact CG-CD1 3.89Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 3.34Å; L56-I114 HydrophobicContact CB-CD1 4.31Å; L56-I114 HydrophobicContact CD2-CD1 3.73Å; L56-I114 HydrophobicContact CD2-CG1 4.12Å; L56-I114 HydrophobicContact CG-CD1 3.75Å
57K89.3Confident85.5Confident54 Ų5474.2 Ų74.224%0.23539%0.385CS..Hα-helixtrans-58.9-47.8176.5-176.3170-176.31650111.8Y53 L54 Q55 A59 I60 Q61 L111 I114 D115Y53-K57 WeakPolarHBondContact O-CB 3.45Å; Y53-K57 PolarHBondContact O-N 3.48Å; L54-K57 WeakPolarHBondContact O-CB 3.47Å; L54-K57 PolarHBondContact O-N 2.89Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.22Å; K57-A59 PolarHBondContact O-N 3.4Å; K57-I60 PolarHBondContact O-N 3.21Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 2.95Å; K57-L111 HydrophobicContact CG-CD2 3.78Å; K57-I114 HydrophobicContact CB-CD1 4.49Å; K57-I114 HydrophobicContact CB-CG2 4.27Å; K57-D115 IonicContact NZ-OD1 2.75Å; K57-D115 PolarHBondContact NZ-OD1 3.35Å; K57-D115 IonicContact NZ-OD2 3.8Å
58N89.9Confident84.5Confident79 Ų7974 Ų7442%0.42240%0.398SS..Hα-helixtrans-63.1-42.7178.3-67.3-14.3000111.2L54 Q55 L56 I60 Q61 S62L54-N58 PolarHBondContact O-N 3.3Å; Q55-N58 PolarHBondContact O-N 3.28Å; L56-N58 PolarHBondContact O-N 2.83Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.3Å; N58-Q61 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.18Å
59A86.9Confident83.4Confident56 Ų5676 Ų7646%0.46341%0.407SS..Hα-helixtrans-61.5-41.5177.300000112.4Q55 L56 K57 S62 L63Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 2.89Å; K57-A59 PolarHBondContact O-N 3.4Å; A59-S62 PolarHBondContact O-N 3.46Å; A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 3.21Å
60I87.3Confident82.4Confident4 Ų476.1 Ų76.12%0.02141%0.41CS..Hα-helixtrans-63.9-42.9175.8-69.7169.1000110.9L56 K57 N58 L63 E64 I93 H107 A110 L111 I114L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.34Å; L56-I60 HydrophobicContact CG-CD1 3.89Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 3.34Å; K57-I60 PolarHBondContact O-N 3.21Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.3Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.85Å; I60-E64 PolarHBondContact O-N 2.9Å; I60-I93 HydrophobicContact CD1-CD1 3.49Å; I60-I93 VanDerWaalsContact CD1-CD1 3.49Å; I60-I93 HydrophobicContact CG1-CD1 3.7Å; I60-H107 HydrophobicContact CG2-CB 3.92Å; I60-A110 HydrophobicContact CD1-CB 3.82Å; I60-L111 HydrophobicContact CB-CD2 4.46Å; I60-L111 HydrophobicContact CG2-CD1 4.5Å; I60-L111 HydrophobicContact CG2-CD2 3.98Å; I60-L111 HydrophobicContact CG2-CG 3.98Å; I60-I114 HydrophobicContact CD1-CD1 3.53Å
61Q87.3Confident81.8Confident76 Ų7677.4 Ų77.436%0.35542%0.417SS..Hα-helixtrans-64.7-44.5177.6-73.2176.8-25.800111.8K57 N58 L63 E64 E65 L111K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 2.95Å; N58-Q61 PolarHBondContact O-N 3.47Å; Q61-L63 PolarHBondContact O-N 2.75Å; Q61-E64 PolarHBondContact O-N 3.21Å; Q61-E65 WeakPolarHBondContact O-CG 3.46Å; Q61-E65 PolarHBondContact O-N 3.17Å; Q61-L111 HydrophobicContact CG-CD2 4.4Å
62S84.7Confident81.4Confident71 Ų7180.8 Ų80.850%0.49743%0.425SS..Hα-helixtrans-61.3-32.5173.8-60.60000112.4N58 A59 A66N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.18Å; A59-S62 PolarHBondContact O-N 3.46Å; S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 3.01Å
63L83.1Confident81.1Confident31 Ų3177.3 Ų77.316%0.16241%0.414CS..Hα-helixtrans-72.6-38.9175.5-168.760.9000112.2A59 I60 Q61 A66 L71 P90 I93 H107A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 3.21Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.85Å; Q61-L63 PolarHBondContact O-N 2.75Å; L63-A66 PolarHBondContact O-N 2.88Å; L63-L71 HydrophobicContact CD1-CD1 4.1Å; L63-L71 HydrophobicContact CD1-CD2 3.82Å; L63-L71 HydrophobicContact CD1-CG 4.47Å; L63-P90 HydrophobicContact CD1-CB 3.78Å; L63-P90 HydrophobicContact CD2-CB 4.22Å; L63-P90 HydrophobicContact CG-CB 4.11Å; L63-I93 HydrophobicContact CD2-CG2 4.15Å; L63-H107 WeakPolarHBondContact CD2-NE2 3.48Å
64E82.4Confident80.9Confident71 Ų7180.2 Ų80.233%0.33243%0.433SS..Hα-helixtrans-63.1-41.4171.9-76.6-169.8139.900111.6I60 Q61 G67 H107 Q108I60-E64 PolarHBondContact O-N 2.9Å; Q61-E64 PolarHBondContact O-N 3.21Å; E64-G67 PolarHBondContact O-N 3.05Å; E64-H107 HydrophobicContact CG-CB 3.6Å; E64-H107 WeakPolarHBondContact OE1-CB 3.33Å; E64-H107 IonicContact OE1-CG 3.98Å; E64-Q108 PolarHBondContact OE1-NE2 3.27Å
65E80.4Confident80.7Confident165 Ų16578.5 Ų78.577%0.77143%0.427SS*.Hα-helixtrans-67.1-37178-73.6175.2-175.700113.2Q61 G67Q61-E65 WeakPolarHBondContact O-CG 3.46Å; Q61-E65 PolarHBondContact O-N 3.17Å; E65-G67 PolarHBondContact O-N 3.44Å
66A75.3Confident80.7Confident57 Ų5776.8 Ų76.847%0.47142%0.422SS..Hα-helixtrans-64.9-17.2175.800000112.9S62 L63S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 3.01Å; L63-A66 PolarHBondContact O-N 2.88Å
67G67Low80.7Confident23 Ų2379.6 Ų79.624%0.23744%0.436CS..  trans72179.217800000113.9E64 E65 Q69E64-G67 PolarHBondContact O-N 3.05Å; E65-G67 PolarHBondContact O-N 3.44Å; G67-Q69 PolarHBondContact O-N 3.48Å
68P64.9Low80.6Confident109 Ų10978.7 Ų78.771%0.70844%0.442SS*.SBendtrans-75.121.2-174.831.6-35.9000114
69Q66.3Low80.4Confident160 Ų16081.6 Ų81.675%0.74847%0.467SS*.SBendtrans-82149.9179.5-122.7157.7-11.400110.4G67 L71G67-Q69 PolarHBondContact O-N 3.48Å; Q69-L71 PolarHBondContact O-N 2.9Å
70Q67Low80.4Confident120 Ų12083.5 Ų83.556%0.56148%0.477SS*.  trans-50.5113.4-177.1-73.8176.9700111.2K72 V87Q70-K72 PolarHBondContact O-N 2.86Å; Q70-V87 WeakPolarHBondContact CA-O 3.42Å
71L74.8Confident80.7Confident59 Ų5989.5 Ų89.531%0.30950%0.504SS..EExtended strand (participates in β ladder)trans-80.8122.2178.5-172.279000108.6L63 Q69 A73 R86 V87L63-L71 HydrophobicContact CD1-CD1 4.1Å; L63-L71 HydrophobicContact CD1-CD2 3.82Å; L63-L71 HydrophobicContact CD1-CG 4.47Å; Q69-L71 PolarHBondContact O-N 2.9Å; L71-A73 HydrophobicContact CD2-CB 4.4Å; L71-R86 WeakPolarHBondContact O-CA 3.33Å; L71-V87 HydrophobicContact CB-CB 4.16Å; L71-V87 PolarHBondContact N-O 2.89Å; L71-V87 VanDerWaalsContact N-O 3.11Å; L71-V87 PolarHBondContact O-N 3.46Å
72K80.1Confident80.8Confident125 Ų12591.7 Ų91.754%0.54351%0.512SS..EExtended strand (participates in β ladder)trans-96.5119166.2-65.9-177.8-176.5172.60107.6Q70 A85 R86Q70-K72 PolarHBondContact O-N 2.86Å; K72-A85 WeakPolarHBondContact CA-O 3.4Å; K72-R86 HydrophobicContact CG-CG 4.26Å
73A81.5Confident81.1Confident32 Ų3291.1 Ų91.126%0.26451%0.506SS..EExtended strand (participates in β ladder)trans-128.5134179.700000109.5L71 A85L71-A73 HydrophobicContact CD2-CB 4.4Å; A73-A85 PolarHBondContact N-O 3.29Å; A73-A85 PolarHBondContact O-N 3.42Å
74D83.6Confident81.4Confident113 Ų11395.2 Ų95.260%0.60452%0.524SS*.EExtended strand (participates in β ladder)trans-86.5115.1170.4-67.8-23.3000108.2
75V85.9Confident81.6Confident68 Ų6893.4 Ų93.441%0.41252%0.521SS..EExtended strand (participates in β ladder)trans-103123.4-176.2-1770000108.6L77 F82 V83 A85V75-L77 HydrophobicContact CG1-CD2 4.38Å; V75-F82 CarbonylContact O-C 3.59Å; V75-F82 WeakPolarHBondContact O-CA 3.35Å; V75-V83 PolarHBondContact N-O 3.49Å; V75-V83 PolarHBondContact O-N 3.17Å; V75-A85 HydrophobicContact CG2-CB 3.76Å
76D88.9Confident81.7Confident81 Ų8192.9 Ų92.943%0.43351%0.512SS..EExtended strand (participates in β ladder)trans-73.2123.9172.4-166.9-6.4000109.9G78 F81 F82D76-G78 WeakPolarHBondContact OD1-CA 3.49Å; D76-G78 PolarHBondContact OD1-N 3.45Å; D76-F81 WeakPolarHBondContact CA-O 3.31Å; D76-F81 PolarHBondContact OD1-N 2.97Å; D76-F82 HydrophobicContact CB-CD1 3.81Å; D76-F82 HydrophobicContact CB-CE1 3.62Å; D76-F82 HydrophobicContact CB-CZ 4.4Å
77L88.4Confident82Confident118 Ų11892.9 Ų92.962%0.61851%0.506SS*.  trans-96.1-3.4174.6-55.9-175.5000112.5V75 F81 V83V75-L77 HydrophobicContact CG1-CD2 4.38Å; L77-F81 HydrophobicContact CB-CD1 4.13Å; L77-F81 HydrophobicContact CD1-CD1 4.03Å; L77-F81 HydrophobicContact CD1-CE1 4.05Å; L77-F81 HydrophobicContact CG-CD1 4.35Å; L77-F81 PolarHBondContact N-O 2.89Å; L77-V83 HydrophobicContact CD1-CB 4.11Å; L77-V83 HydrophobicContact CD1-CG2 3.41Å; L77-V83 VanDerWaalsContact CD1-CG2 3.41Å; L77-V83 HydrophobicContact CG-CB 4.39Å; L77-V83 HydrophobicContact CG-CG2 4.03Å
78G86.1Confident82.4Confident35 Ų3597.7 Ų97.736%0.36153%0.526SS..SBendtrans120.7157179.100000113.3D76 S80 F81D76-G78 WeakPolarHBondContact OD1-CA 3.49Å; D76-G78 PolarHBondContact OD1-N 3.45Å; G78-S80 PolarHBondContact O-N 2.9Å; G78-F81 WeakPolarHBondContact O-CB 3.48Å; G78-F81 PolarHBondContact O-N 3.24Å
79C86.8Confident82.9Confident140 Ų14097 Ų9795%0.94652%0.517SS*.THydrogen-bonded Turntrans51.836.4-177.1-60.10000113.8F81C79-F81 PolarHBondContact O-N 3.21Å
80S86.7Confident83.5Confident96 Ų9689.8 Ų89.867%0.67148%0.484SS*.THydrogen-bonded Turntrans60.731.9-176.3-52.60000113.5G78 F82G78-S80 PolarHBondContact O-N 2.9Å; S80-F82 WeakPolarHBondContact O-CD2 3.45Å; S80-F82 WeakPolarHBondContact O-CE2 3.3Å
81F92.8Very high84.1Confident130 Ų13086.6 Ų86.657%0.5747%0.474SS*.  trans-99109174.8-173.8-99.5000110.1D76 L77 G78 C79 V83D76-F81 WeakPolarHBondContact CA-O 3.31Å; D76-F81 PolarHBondContact OD1-N 2.97Å; L77-F81 HydrophobicContact CB-CD1 4.13Å; L77-F81 HydrophobicContact CD1-CD1 4.03Å; L77-F81 HydrophobicContact CD1-CE1 4.05Å; L77-F81 HydrophobicContact CG-CD1 4.35Å; L77-F81 PolarHBondContact N-O 2.89Å; G78-F81 WeakPolarHBondContact O-CB 3.48Å; G78-F81 PolarHBondContact O-N 3.24Å; C79-F81 PolarHBondContact O-N 3.21Å; F81-V83 HydrophobicContact CD1-CG2 4.07Å; F81-V83 HydrophobicContact CE1-CG2 3.5Å; F81-V83 VanDerWaalsContact CE1-CG2 3.5Å; F81-V83 HydrophobicContact CZ-CG2 4.29Å
82F90.9Very high84.7Confident121 Ų12190.4 Ų90.453%0.53149%0.485SS..EExtended strand (participates in β ladder)trans-102.1136.1-176.2-59.3-89.1000111.2V75 D76 S80V75-F82 CarbonylContact O-C 3.59Å; V75-F82 WeakPolarHBondContact O-CA 3.35Å; D76-F82 HydrophobicContact CB-CD1 3.81Å; D76-F82 HydrophobicContact CB-CE1 3.62Å; D76-F82 HydrophobicContact CB-CZ 4.4Å; S80-F82 WeakPolarHBondContact O-CD2 3.45Å; S80-F82 WeakPolarHBondContact O-CE2 3.3Å
83V90.1Very high85.1Confident60 Ų6085.8 Ų85.836%0.36447%0.466SS..EExtended strand (participates in β ladder)trans-120.9134.3173.9173.50000110.1V75 L77 F81 A85V75-V83 PolarHBondContact N-O 3.49Å; V75-V83 PolarHBondContact O-N 3.17Å; L77-V83 HydrophobicContact CD1-CB 4.11Å; L77-V83 HydrophobicContact CD1-CG2 3.41Å; L77-V83 VanDerWaalsContact CD1-CG2 3.41Å; L77-V83 HydrophobicContact CG-CB 4.39Å; L77-V83 HydrophobicContact CG-CG2 4.03Å; F81-V83 HydrophobicContact CD1-CG2 4.07Å; F81-V83 HydrophobicContact CE1-CG2 3.5Å; F81-V83 VanDerWaalsContact CE1-CG2 3.5Å; F81-V83 HydrophobicContact CZ-CG2 4.29Å; V83-A85 PolarHBondContact O-N 3.4Å
84Q89.2Confident85.4Confident116 Ų11690.3 Ų90.354%0.54249%0.485SS..EExtended strand (participates in β ladder)trans-76.4108.4176.4-168.5171.249.800110.6
85A86.2Confident85.7Confident34 Ų3485.3 Ų85.328%0.28146%0.458SS..EExtended strand (participates in β ladder)trans-91.8143.5172.100000110.7K72 A73 V75 V83K72-A85 WeakPolarHBondContact CA-O 3.4Å; A73-A85 PolarHBondContact N-O 3.29Å; A73-A85 PolarHBondContact O-N 3.42Å; V75-A85 HydrophobicContact CG2-CB 3.76Å; V83-A85 PolarHBondContact O-N 3.4Å
86R83.7Confident85.8Confident154 Ų15486.4 Ų86.458%0.58146%0.461SS*.EExtended strand (participates in β ladder)trans-114.1121169.8-68.5-171.8-175.1178.84.2109L71 K72L71-R86 WeakPolarHBondContact O-CA 3.33Å; K72-R86 HydrophobicContact CG-CG 4.26Å
87V80.9Confident85.6Confident57 Ų5785 Ų8535%0.34546%0.456SS..EExtended strand (participates in β ladder)trans-101.7117.3175.9-173.60000108.1Q70 L71Q70-V87 WeakPolarHBondContact CA-O 3.42Å; L71-V87 HydrophobicContact CB-CB 4.16Å; L71-V87 PolarHBondContact N-O 2.89Å; L71-V87 VanDerWaalsContact N-O 3.11Å; L71-V87 PolarHBondContact O-N 3.46Å
88N74.9Confident85.3Confident124 Ų12480.6 Ų80.666%0.66344%0.439SS*.SBendtrans-77.3-30.8-177.4-65.8-36.3000112.6
89D75.6Confident85.2Confident95 Ų9589 Ų8951%0.50847%0.466SS..  trans-136.4101.1177.2-176.213.3000110.2S91D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 WeakPolarHBondContact OD1-CB 3.5Å; D89-S91 PolarHBondContact OD1-N 3.09Å; D89-S91 PolarHBondContact OD1-OG 3Å
90P79.3Confident85.2Confident7 Ų785 Ų855%0.04545%0.448CS..THydrogen-bonded Turntrans-793175.930.8-32.1000113.3L63 R92 H107L63-P90 HydrophobicContact CD1-CB 3.78Å; L63-P90 HydrophobicContact CD2-CB 4.22Å; L63-P90 HydrophobicContact CG-CB 4.11Å; P90-R92 PolarHBondContact O-N 3.49Å; P90-H107 PolarHBondContact O-CE1 3.16Å; P90-H107 PolarHBondContact O-NE2 2.93Å
91S80.7Confident85.4Confident53 Ų5387.3 Ų87.337%0.37145%0.446SS..THydrogen-bonded Turntrans-61.5-19.7-171.8-59.20000115.5D89 H107D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 WeakPolarHBondContact OD1-CB 3.5Å; D89-S91 PolarHBondContact OD1-N 3.09Å; D89-S91 PolarHBondContact OD1-OG 3Å; S91-H107 PolarHBondContact O-CE1 2.77Å; S91-H107 PolarHBondContact O-ND1 3.4Å
92R85.9Confident85.3Confident140 Ų14087.3 Ų87.353%0.52845%0.446SS..EExtended strand (participates in β ladder)trans-132.5145.9-176-65.9-177.6177.2-99.5-2.4110.8P90 E104 M105P90-R92 PolarHBondContact O-N 3.49Å; R92-E104 HydrophobicContact CB-CG 4.02Å; R92-E104 WeakPolarHBondContact CD-OE1 3.19Å; R92-M105 WeakPolarHBondContact CA-O 3.38Å
93I88.1Confident85.3Confident28 Ų2884.3 Ų84.314%0.14444%0.438CS..EExtended strand (participates in β ladder)trans-129.3149179.259.3163000110.6I60 L63 V95 E104 M105 A110I60-I93 HydrophobicContact CD1-CD1 3.49Å; I60-I93 VanDerWaalsContact CD1-CD1 3.49Å; I60-I93 HydrophobicContact CG1-CD1 3.7Å; L63-I93 HydrophobicContact CD2-CG2 4.15Å; I93-V95 HydrophobicContact CD1-CG2 3.71Å; I93-V95 HydrophobicContact CG1-CG2 4.01Å; I93-E104 WeakPolarHBondContact O-CA 3.43Å; I93-M105 PolarHBondContact N-O 3.4Å; I93-M105 PolarHBondContact O-N 3.4Å; I93-A110 HydrophobicContact CD1-CB 3.69Å; I93-A110 HydrophobicContact CG1-CB 4.23Å
94L89.3Confident85.3Confident126 Ų12687 Ų8766%0.6645%0.446SS*.EExtended strand (participates in β ladder)trans-90.6118.4169.8-77.3101.2000109.9F102 V103L94-F102 HydrophobicContact CB-CB 4.4Å; L94-F102 HydrophobicContact CD2-CB 3.86Å; L94-V103 WeakPolarHBondContact CA-O 3.33Å
95V88.6Confident85.4Confident8 Ų883.1 Ų83.15%0.04843%0.428CS..EExtended strand (participates in β ladder)trans-107.4127.3177.6-176.60000109.4I93 V97 F102 V103 A110 F113I93-V95 HydrophobicContact CD1-CG2 3.71Å; I93-V95 HydrophobicContact CG1-CG2 4.01Å; V95-V97 PolarHBondContact O-N 3.04Å; V95-F102 WeakPolarHBondContact O-CA 3.06Å; V95-V103 PolarHBondContact N-O 3.5Å; V95-V103 PolarHBondContact O-N 2.94Å; V95-A110 HydrophobicContact CG2-CB 4.15Å; V95-F113 HydrophobicContact CG1-CD1 4.19Å; V95-F113 HydrophobicContact CG1-CE1 4.04Å
96L88.1Confident85.6Confident91 Ų9183.1 Ų83.148%0.47643%0.426SS..EExtended strand (participates in β ladder)trans-70.2110.2172.1-178.772.8000109.5F101 F102L96-F101 WeakPolarHBondContact CD1-O 3.27Å; L96-F102 HydrophobicContact CB-CD1 3.89Å; L96-F102 HydrophobicContact CB-CE1 3.74Å; L96-F102 HydrophobicContact CD1-CD1 4.03Å; L96-F102 HydrophobicContact CD1-CD2 4.35Å; L96-F102 HydrophobicContact CD1-CE1 3.66Å; L96-F102 HydrophobicContact CD1-CE2 3.99Å; L96-F102 HydrophobicContact CD1-CG 4.37Å; L96-F102 HydrophobicContact CD1-CZ 3.65Å; L96-F102 HydrophobicContact CG-CE1 4.23Å
97V85.1Confident85.9Confident53 Ų5376.8 Ų76.832%0.32140%0.404SS..EExtended strand (participates in β ladder)trans-88.5-22.1-179.8-64.70000112.9V95 F101 V103 F113V95-V97 PolarHBondContact O-N 3.04Å; V97-F101 HydrophobicContact CG2-CB 4.06Å; V97-F101 WeakPolarHBondContact CG2-O 3.44Å; V97-F101 PolarHBondContact N-O 2.75Å; V97-V103 HydrophobicContact CB-CG2 4.39Å; V97-V103 HydrophobicContact CG1-CB 4.04Å; V97-V103 HydrophobicContact CG1-CG2 3.7Å; V97-V103 HydrophobicContact CG2-CG2 3.76Å; V97-F113 HydrophobicContact CB-CZ 4.3Å; V97-F113 HydrophobicContact CG1-CE2 4.11Å; V97-F113 HydrophobicContact CG1-CZ 3.92Å
98G81.8Confident86.3Confident25 Ų2579.1 Ų79.126%0.25841%0.411SS..EExtended strand (participates in β ladder)trans142.5164.3177.100000113G100 F101G98-G100 PolarHBondContact O-N 3.02Å; G98-F101 WeakPolarHBondContact O-CB 3.36Å; G98-F101 PolarHBondContact O-N 3.32Å
99F83.9Confident87Confident211 Ų21176.9 Ų76.993%0.92540%0.396SS*.THydrogen-bonded Turntrans52.328.5177.7-59.2-83.3000115.2F101F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 HydrophobicContact CB-CD2 3.95Å; F99-F101 HydrophobicContact CB-CE2 4.1Å; F99-F101 PolarHBondContact O-N 2.83Å
100G87.6Confident87.7Confident55 Ų5572.3 Ų72.357%0.56737%0.372SS*.THydrogen-bonded Turntrans787.2-177.300000114.8G98 F102G98-G100 PolarHBondContact O-N 3.02Å; G100-F102 WeakPolarHBondContact O-CD2 3.35Å
101F90.3Very high88.2Confident146 Ų14672.9 Ų72.964%0.6437%0.374SS*.EExtended strand (participates in β ladder)trans-89.6130.8174.5-64.2-76.1000111.4L96 V97 G98 F99L96-F101 WeakPolarHBondContact CD1-O 3.27Å; V97-F101 HydrophobicContact CG2-CB 4.06Å; V97-F101 WeakPolarHBondContact CG2-O 3.44Å; V97-F101 PolarHBondContact N-O 2.75Å; G98-F101 WeakPolarHBondContact O-CB 3.36Å; G98-F101 PolarHBondContact O-N 3.32Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 HydrophobicContact CB-CD2 3.95Å; F99-F101 HydrophobicContact CB-CE2 4.1Å; F99-F101 PolarHBondContact O-N 2.83Å
102F91.3Very high88.7Confident129 Ų12978.1 Ų78.157%0.56639%0.386SS*.EExtended strand (participates in β ladder)trans-109.5137.1173.8-59.9-92.9000109L94 V95 L96 G100L94-F102 HydrophobicContact CB-CB 4.4Å; L94-F102 HydrophobicContact CD2-CB 3.86Å; V95-F102 WeakPolarHBondContact O-CA 3.06Å; L96-F102 HydrophobicContact CB-CD1 3.89Å; L96-F102 HydrophobicContact CB-CE1 3.74Å; L96-F102 HydrophobicContact CD1-CD1 4.03Å; L96-F102 HydrophobicContact CD1-CD2 4.35Å; L96-F102 HydrophobicContact CD1-CE1 3.66Å; L96-F102 HydrophobicContact CD1-CE2 3.99Å; L96-F102 HydrophobicContact CD1-CG 4.37Å; L96-F102 HydrophobicContact CD1-CZ 3.65Å; L96-F102 HydrophobicContact CG-CE1 4.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.35Å
103V90.7Very high89Confident59 Ų5973.4 Ų73.436%0.35837%0.369SS..EExtended strand (participates in β ladder)trans-117.5129.9176.4-179.10000108L94 V95 V97 M105L94-V103 WeakPolarHBondContact CA-O 3.33Å; V95-V103 PolarHBondContact N-O 3.5Å; V95-V103 PolarHBondContact O-N 2.94Å; V97-V103 HydrophobicContact CB-CG2 4.39Å; V97-V103 HydrophobicContact CG1-CB 4.04Å; V97-V103 HydrophobicContact CG1-CG2 3.7Å; V97-V103 HydrophobicContact CG2-CG2 3.76Å; V103-M105 HydrophobicContact CB-CG 4.28Å; V103-M105 HydrophobicContact CG1-CG 3.78Å; V103-M105 HydrophobicContact CG1-SD 4.4Å
104E91.2Very high89Confident115 Ų11572.1 Ų72.154%0.53736%0.363SS..EExtended strand (participates in β ladder)trans-76.3121.3171.3-171.7-178.5176.900109.3R92 I93R92-E104 HydrophobicContact CB-CG 4.02Å; R92-E104 WeakPolarHBondContact CD-OE1 3.19Å; I93-E104 WeakPolarHBondContact O-CA 3.43Å
105M89.9Confident89.1Confident35 Ų3569.1 Ų69.117%0.17235%0.348CS..EExtended strand (participates in β ladder)trans-134150.2-176.7-53.9-16998.100110.2R92 I93 V103 E109 A110 F113R92-M105 WeakPolarHBondContact CA-O 3.38Å; I93-M105 PolarHBondContact N-O 3.4Å; I93-M105 PolarHBondContact O-N 3.4Å; V103-M105 HydrophobicContact CB-CG 4.28Å; V103-M105 HydrophobicContact CG1-CG 3.78Å; V103-M105 HydrophobicContact CG1-SD 4.4Å; M105-E109 HydrophobicContact CB-CB 4.1Å; M105-E109 HydrophobicContact CE-CB 4.15Å; M105-A110 HydrophobicContact CB-CB 4.45Å; M105-F113 HydrophobicContact SD-CB 4.43Å
106S91.6Very high89.2Confident34 Ų3475.6 Ų75.624%0.23838%0.375CS..EExtended strand (participates in β ladder)trans-69.7159.5165.6610000111Q108 E109 A110S106-Q108 VanDerWaalsContact C-N 3.29Å; S106-Q108 PolarHBondContact O-N 3.45Å; S106-E109 PolarHBondContact N-OE2 2.91Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 WeakPolarHBondContact OG-CB 3.28Å; S106-E109 VanDerWaalsContact OG-CG 3.23Å; S106-E109 WeakPolarHBondContact OG-CG 3.48Å; S106-E109 PolarHBondContact OG-N 3.37Å; S106-E109 PolarHBondContact OG-OE2 3.36Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.43Å
107H88.6Confident89.3Confident22 Ų2274.2 Ų74.210%0.10237%0.365CS..Hα-helixtrans-50.8-47.6176.5-59.995.9000112.5I60 L63 E64 P90 S91 E109 A110 L111I60-H107 HydrophobicContact CG2-CB 3.92Å; L63-H107 WeakPolarHBondContact CD2-NE2 3.48Å; E64-H107 HydrophobicContact CG-CB 3.6Å; E64-H107 WeakPolarHBondContact OE1-CB 3.33Å; E64-H107 IonicContact OE1-CG 3.98Å; P90-H107 PolarHBondContact O-CE1 3.16Å; P90-H107 PolarHBondContact O-NE2 2.93Å; S91-H107 PolarHBondContact O-CE1 2.77Å; S91-H107 PolarHBondContact O-ND1 3.4Å; H107-E109 PolarHBondContact O-N 3.25Å; H107-A110 PolarHBondContact O-N 3.27Å; H107-L111 VanDerWaalsContact O-CG 3.32Å; H107-L111 WeakPolarHBondContact O-CG 3.13Å; H107-L111 PolarHBondContact O-N 2.91Å
108Q89.4Confident89.4Confident106 Ų10673.4 Ų73.450%0.49536%0.36SS..Hα-helixtrans-64.6-36.6179.5-65.7-64.6-38.900113.2E64 S106 R112E64-Q108 PolarHBondContact OE1-NE2 3.27Å; S106-Q108 VanDerWaalsContact C-N 3.29Å; S106-Q108 PolarHBondContact O-N 3.45Å; Q108-R112 WeakPolarHBondContact O-CG 3.34Å; Q108-R112 PolarHBondContact O-N 3.07Å; Q108-R112 PolarHBondContact O-NE 3.12Å
109E90Very high89.9Confident76 Ų7677.1 Ų77.136%0.35537%0.374SS..Hα-helixtrans-70-40.9174-72.9166.8149.600111.8M105 S106 H107 R112 F113M105-E109 HydrophobicContact CB-CB 4.1Å; M105-E109 HydrophobicContact CE-CB 4.15Å; S106-E109 PolarHBondContact N-OE2 2.91Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 WeakPolarHBondContact OG-CB 3.28Å; S106-E109 VanDerWaalsContact OG-CG 3.23Å; S106-E109 WeakPolarHBondContact OG-CG 3.48Å; S106-E109 PolarHBondContact OG-N 3.37Å; S106-E109 PolarHBondContact OG-OE2 3.36Å; H107-E109 PolarHBondContact O-N 3.25Å; E109-R112 PolarHBondContact O-N 2.96Å; E109-F113 WeakPolarHBondContact O-CB 3.31Å; E109-F113 PolarHBondContact O-N 2.96Å
110A90.2Very high90.2Very high0 Ų072 Ų720%035%0.353CS..Hα-helixtrans-64.4-42.3176.700000111.8I60 I93 V95 M105 S106 H107 R112 F113 I114I60-A110 HydrophobicContact CD1-CB 3.82Å; I93-A110 HydrophobicContact CD1-CB 3.69Å; I93-A110 HydrophobicContact CG1-CB 4.23Å; V95-A110 HydrophobicContact CG2-CB 4.15Å; M105-A110 HydrophobicContact CB-CB 4.45Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.43Å; H107-A110 PolarHBondContact O-N 3.27Å; A110-R112 PolarHBondContact O-N 2.79Å; A110-F113 WeakPolarHBondContact O-CB 3.3Å; A110-F113 PolarHBondContact O-N 3.44Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.32Å
111L90.4Very high90.2Very high19 Ų1970.5 Ų70.510%0.09933%0.332CS..Hα-helixtrans-58.2-47.3173.8-71.3174.4000111.4K57 I60 Q61 H107 F113 I114 D115K57-L111 HydrophobicContact CG-CD2 3.78Å; I60-L111 HydrophobicContact CB-CD2 4.46Å; I60-L111 HydrophobicContact CG2-CD1 4.5Å; I60-L111 HydrophobicContact CG2-CD2 3.98Å; I60-L111 HydrophobicContact CG2-CG 3.98Å; Q61-L111 HydrophobicContact CG-CD2 4.4Å; H107-L111 VanDerWaalsContact O-CG 3.32Å; H107-L111 WeakPolarHBondContact O-CG 3.13Å; H107-L111 PolarHBondContact O-N 2.91Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.16Å; L111-I114 PolarHBondContact O-N 3.03Å; L111-D115 WeakPolarHBondContact O-CB 3.41Å; L111-D115 PolarHBondContact O-N 2.9Å
112R91.5Very high90.1Very high162 Ų16265.9 Ų65.961%0.61132%0.316SS*.Hα-helixtrans-61.8-38.8175.6-72.5-176.6-69.7-167.73112.5Q108 E109 A110 K116Q108-R112 WeakPolarHBondContact O-CG 3.34Å; Q108-R112 PolarHBondContact O-N 3.07Å; Q108-R112 PolarHBondContact O-NE 3.12Å; E109-R112 PolarHBondContact O-N 2.96Å; A110-R112 PolarHBondContact O-N 2.79Å; R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 2.75Å
113F90.8Very high90.1Very high41 Ų4165.1 Ų65.118%0.1832%0.317CS..Hα-helixtrans-64.3-46.7175.6177.2-95.6000111.5V95 V97 M105 E109 A110 L111 K116 K117V95-F113 HydrophobicContact CG1-CD1 4.19Å; V95-F113 HydrophobicContact CG1-CE1 4.04Å; V97-F113 HydrophobicContact CB-CZ 4.3Å; V97-F113 HydrophobicContact CG1-CE2 4.11Å; V97-F113 HydrophobicContact CG1-CZ 3.92Å; M105-F113 HydrophobicContact SD-CB 4.43Å; E109-F113 WeakPolarHBondContact O-CB 3.31Å; E109-F113 PolarHBondContact O-N 2.96Å; A110-F113 WeakPolarHBondContact O-CB 3.3Å; A110-F113 PolarHBondContact O-N 3.44Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.16Å; F113-K116 PolarHBondContact O-N 3.3Å; F113-K117 HydrophobicContact CD1-CG 4.19Å; F113-K117 HydrophobicContact CE1-CG 3.8Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.26Å; F113-K117 VanDerWaalsContact CZ-CE 3.44Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 WeakPolarHBondContact O-CG 3.28Å; F113-K117 PolarHBondContact O-N 3.11Å
114I89.9Confident89.9Confident1 Ų166.7 Ų66.71%0.00532%0.319CS..Hα-helixtrans-62.2-46.1178.4-68.4163.5000110.7Y53 L56 K57 I60 A110 L111 K116 K117 T118Y53-I114 HydrophobicContact CD1-CG1 4.24Å; Y53-I114 HydrophobicContact CD1-CG2 4.35Å; L56-I114 HydrophobicContact CB-CD1 4.31Å; L56-I114 HydrophobicContact CD2-CD1 3.73Å; L56-I114 HydrophobicContact CD2-CG1 4.12Å; L56-I114 HydrophobicContact CG-CD1 3.75Å; K57-I114 HydrophobicContact CB-CD1 4.49Å; K57-I114 HydrophobicContact CB-CG2 4.27Å; I60-I114 HydrophobicContact CD1-CD1 3.53Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.32Å; L111-I114 PolarHBondContact O-N 3.03Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.44Å; I114-K117 PolarHBondContact O-N 3.48Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.39Å; I114-T118 PolarHBondContact O-N 3.23Å; I114-T118 PolarHBondContact O-OG1 3.25Å
115D90.6Very high89.7Confident64 Ų6461.5 Ų61.534%0.34230%0.296SS..Hα-helixtrans-62.6-42.9178.5-72-23.7000110.9K57 L111 K117 T118 N119K57-D115 IonicContact NZ-OD1 2.75Å; K57-D115 PolarHBondContact NZ-OD1 3.35Å; K57-D115 IonicContact NZ-OD2 3.8Å; L111-D115 WeakPolarHBondContact O-CB 3.41Å; L111-D115 PolarHBondContact O-N 2.9Å; D115-K117 PolarHBondContact O-N 2.86Å; D115-T118 PolarHBondContact O-N 3.02Å; D115-N119 WeakPolarHBondContact O-CB 3.36Å; D115-N119 VanDerWaalsContact O-CG 3.27Å; D115-N119 PolarHBondContact O-N 3.39Å; D115-N119 PolarHBondContact O-ND2 2.85Å
116K91.3Very high89.7Confident143 Ų14364.4 Ų64.462%0.62231%0.308SS*.Hα-helixtrans-62.7-44176-170.6175.1-175.5176.30112R112 F113 I114 Q120R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 2.75Å; F113-K116 PolarHBondContact O-N 3.3Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.44Å; K116-Q120 WeakPolarHBondContact O-CG 3.4Å; K116-Q120 PolarHBondContact O-N 3.2Å; K116-Q120 VanDerWaalsContact O-N 3.09Å
117K88.7Confident89.6Confident63 Ų6366.9 Ų66.927%0.27432%0.316SS..Hα-helixtrans-66.2-42177.1-76.5-67.5-173.7179.10112Y53 F113 I114 D115 Q120 L121Y53-K117 HydrophobicContact CE1-CB 4.37Å; Y53-K117 HydrophobicContact CE2-CB 4.41Å; F113-K117 HydrophobicContact CD1-CG 4.19Å; F113-K117 HydrophobicContact CE1-CG 3.8Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.26Å; F113-K117 VanDerWaalsContact CZ-CE 3.44Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 WeakPolarHBondContact O-CG 3.28Å; F113-K117 PolarHBondContact O-N 3.11Å; I114-K117 PolarHBondContact O-N 3.48Å; D115-K117 PolarHBondContact O-N 2.86Å; K117-Q120 PolarHBondContact O-N 3.13Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.45Å
118T88.6Confident89.3Confident36 Ų3666.4 Ų66.422%0.22132%0.315CS..Hα-helixtrans-62.2-46.1177.5-55.70000110.3M50 I114 D115 Q120 L121 T122M50-T118 HydrophobicContact CE-CG2 4.14Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.39Å; I114-T118 PolarHBondContact O-N 3.23Å; I114-T118 PolarHBondContact O-OG1 3.25Å; D115-T118 PolarHBondContact O-N 3.02Å; T118-Q120 PolarHBondContact O-N 2.93Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-L121 VanDerWaalsContact O-N 3.16Å; T118-T122 PolarHBondContact O-N 2.89Å; T118-T122 PolarHBondContact O-OG1 3.19Å
119N91.1Very high89.1Confident103 Ų10364.6 Ų64.655%0.55131%0.311SS*.Hα-helixtrans-60.3-42.4175.6-73.2-20.5000112.6D115 L121 T122 L123D115-N119 WeakPolarHBondContact O-CB 3.36Å; D115-N119 VanDerWaalsContact O-CG 3.27Å; D115-N119 PolarHBondContact O-N 3.39Å; D115-N119 PolarHBondContact O-ND2 2.85Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 2.79Å; N119-T122 PolarHBondContact O-N 2.89Å; N119-L123 WeakPolarHBondContact O-CG 3.28Å; N119-L123 PolarHBondContact O-N 3.06Å
120Q89.6Confident89Confident102 Ų10266.7 Ų66.748%0.47732%0.319SS..Hα-helixtrans-60.9-43.6174.6-75-178.2-19.900112.1K116 K117 T118 L123 F124K116-Q120 WeakPolarHBondContact O-CG 3.4Å; K116-Q120 PolarHBondContact O-N 3.2Å; K116-Q120 VanDerWaalsContact O-N 3.09Å; K117-Q120 PolarHBondContact O-N 3.13Å; T118-Q120 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.5Å; Q120-F124 PolarHBondContact O-N 3.13Å; Q120-F124 VanDerWaalsContact O-N 3.11Å
121L87.9Confident88.7Confident25 Ų2569 Ų6913%0.13133%0.331CS..Hα-helixtrans-64.3-40.8176.6-71.8166.3000111.5L46 K49 M50 Y53 K117 T118 N119 F124 T125L46-L121 HydrophobicContact CD2-CD2 3.54Å; K49-L121 HydrophobicContact CB-CD1 4.46Å; M50-L121 HydrophobicContact CE-CB 4.07Å; M50-L121 HydrophobicContact CG-CB 3.72Å; M50-L121 HydrophobicContact CG-CD1 3.79Å; M50-L121 HydrophobicContact CG-CG 4.33Å; M50-L121 HydrophobicContact SD-CB 3.99Å; Y53-L121 HydrophobicContact CD2-CD1 3.66Å; Y53-L121 HydrophobicContact CE2-CD1 3.68Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.45Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-L121 VanDerWaalsContact O-N 3.16Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 2.79Å; L121-F124 PolarHBondContact O-N 3.11Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.81Å; L121-T125 PolarHBondContact O-OG1 3.33Å
122T88.6Confident88.2Confident48 Ų4868.8 Ų68.829%0.29433%0.332SS..Hα-helixtrans-59.8-49.7176.2-55.40000111.1M50 T118 N119 F124 T125 E126M50-T122 WeakPolarHBondContact CE-OG1 3.47Å; T118-T122 PolarHBondContact O-N 2.89Å; T118-T122 PolarHBondContact O-OG1 3.19Å; N119-T122 PolarHBondContact O-N 2.89Å; T122-F124 VanDerWaalsContact C-N 3.26Å; T122-F124 PolarHBondContact O-N 3.31Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.38Å; T122-T125 VanDerWaalsContact O-N 3.16Å; T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 2.97Å
123L90.9Very high87.7Confident113 Ų11363.8 Ų63.859%0.59233%0.325SS*.Hα-helixtrans-59.2-39.8178.2-69.8173.5000112N119 Q120 E126 Q127N119-L123 WeakPolarHBondContact O-CG 3.28Å; N119-L123 PolarHBondContact O-N 3.06Å; Q120-L123 PolarHBondContact O-N 3.5Å; L123-E126 PolarHBondContact O-N 3.42Å; L123-Q127 PolarHBondContact O-N 2.95Å
124F87.8Confident87.5Confident93 Ų9367.3 Ų67.341%0.40834%0.341SS..Hα-helixtrans-68.6-40.1178-166.2-117.8000111.8Q42 L46 Q120 L121 T122 Q127 L128Q42-F124 VanDerWaalsContact NE2-CZ 3.34Å; L46-F124 HydrophobicContact CD1-CD1 3.29Å; L46-F124 HydrophobicContact CD1-CE1 3.71Å; L46-F124 HydrophobicContact CD1-CG 4.4Å; L46-F124 HydrophobicContact CD2-CD1 3.82Å; L46-F124 HydrophobicContact CD2-CE1 4.23Å; L46-F124 HydrophobicContact CG-CD1 4.18Å; Q120-F124 PolarHBondContact O-N 3.13Å; Q120-F124 VanDerWaalsContact O-N 3.11Å; L121-F124 PolarHBondContact O-N 3.11Å; T122-F124 VanDerWaalsContact C-N 3.26Å; T122-F124 PolarHBondContact O-N 3.31Å; F124-Q127 PolarHBondContact O-N 3Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CE1-CD1 3.84Å; F124-L128 HydrophobicContact CE1-CG 4.41Å; F124-L128 HydrophobicContact CZ-CD1 4.44Å; F124-L128 WeakPolarHBondContact O-CG 3.45Å; F124-L128 PolarHBondContact O-N 2.89Å
125T86.8Confident87Confident6 Ų668.7 Ų68.74%0.03735%0.348CS..Hα-helixtrans-62.9-40.6173.3-65.10000112.4R43 Y47 L121 T122 L128 T129R43-T125 HydrophobicContact CG-CG2 3.99Å; Y47-T125 HydrophobicContact CE1-CG2 4.11Å; Y47-T125 HydrophobicContact CE2-CG2 3.96Å; Y47-T125 WeakPolarHBondContact OH-CG2 3.2Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.81Å; L121-T125 PolarHBondContact O-OG1 3.33Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.38Å; T122-T125 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact O-N 3.46Å; T125-T129 WeakPolarHBondContact O-CB 3.31Å; T125-T129 PolarHBondContact O-N 3.3Å; T125-T129 PolarHBondContact O-OG1 2.98Å
126E88.9Confident86.4Confident95 Ų9571.4 Ų71.444%0.44436%0.356SS..Hα-helixtrans-62.5-42.8174.2-74.4177.6-172.700111.7T122 L123 T129 K130T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 2.97Å; L123-E126 PolarHBondContact O-N 3.42Å; E126-T129 WeakPolarHBondContact O-CB 3.32Å; E126-T129 PolarHBondContact O-N 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 3.29Å
127Q89.3Confident86Confident86 Ų8666.9 Ų66.940%0.40235%0.346SS..Hα-helixtrans-62.2-48.3176.7-174.45936.600111.2L123 F124 T129 K130 D131L123-Q127 PolarHBondContact O-N 2.95Å; F124-Q127 PolarHBondContact O-N 3Å; Q127-T129 PolarHBondContact O-N 3.44Å; Q127-K130 WeakPolarHBondContact O-CB 3.31Å; Q127-K130 PolarHBondContact O-N 3.42Å; Q127-K130 VanDerWaalsContact O-N 3.13Å; Q127-D131 PolarHBondContact NE2-OD1 2.96Å; Q127-D131 PolarHBondContact NE2-OD2 3.23Å; Q127-D131 PolarHBondContact O-N 3.2Å
128L83.6Confident85.6Confident13 Ų1369.3 Ų69.37%0.06836%0.358CS..Hα-helixtrans-59.9-35.7175-70.9172.4000112.2V39 Q42 R43 L46 F124 T125 D131 A132V39-L128 HydrophobicContact CG1-CB 4.16Å; V39-L128 HydrophobicContact CG1-CD2 4.2Å; V39-L128 WeakPolarHBondContact CG1-O 3.11Å; Q42-L128 HydrophobicContact CB-CD1 4.42Å; Q42-L128 HydrophobicContact CG-CD1 3.91Å; R43-L128 HydrophobicContact CB-CD1 4.49Å; L46-L128 HydrophobicContact CD1-CD1 3.36Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CE1-CD1 3.84Å; F124-L128 HydrophobicContact CE1-CG 4.41Å; F124-L128 HydrophobicContact CZ-CD1 4.44Å; F124-L128 WeakPolarHBondContact O-CG 3.45Å; F124-L128 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 3.46Å; L128-D131 PolarHBondContact O-N 3.37Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 2.97Å
129T84Confident85Confident68 Ų6868.7 Ų68.742%0.41735%0.353SS..Hα-helixtrans-66-41.7176.4-58.80000111.5T125 E126 Q127 A132 A133T125-T129 WeakPolarHBondContact O-CB 3.31Å; T125-T129 PolarHBondContact O-N 3.3Å; T125-T129 PolarHBondContact O-OG1 2.98Å; E126-T129 WeakPolarHBondContact O-CB 3.32Å; E126-T129 PolarHBondContact O-N 3.44Å; Q127-T129 PolarHBondContact O-N 3.44Å; T129-A132 PolarHBondContact O-N 2.99Å; T129-A133 WeakPolarHBondContact O-CB 3.41Å; T129-A133 PolarHBondContact O-N 3.49Å
130K88.9Confident84.4Confident119 Ų11972.2 Ų72.252%0.51736%0.358SS..Hα-helixtrans-62.9-42.7173.7-70.4173.3-173.7171.10111.3E126 Q127 A133 K134E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 3.29Å; Q127-K130 WeakPolarHBondContact O-CB 3.31Å; Q127-K130 PolarHBondContact O-N 3.42Å; Q127-K130 VanDerWaalsContact O-N 3.13Å; K130-A133 WeakPolarHBondContact O-CB 3.35Å; K130-A133 PolarHBondContact O-N 2.97Å; K130-K134 WeakPolarHBondContact O-CG 3.4Å; K130-K134 PolarHBondContact O-N 3.26Å
131D83.3Confident83.9Confident49 Ų4973.8 Ų73.826%0.26237%0.368SS..Hα-helixtrans-69.4-38.7-179.3-65.1-27.8000111.6Q127 L128 A133 K134 I135Q127-D131 PolarHBondContact NE2-OD1 2.96Å; Q127-D131 PolarHBondContact NE2-OD2 3.23Å; Q127-D131 PolarHBondContact O-N 3.2Å; L128-D131 PolarHBondContact O-N 3.37Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3Å; D131-K134 PolarHBondContact O-N 3.39Å; D131-K134 IonicContact OD1-NZ 3.06Å; D131-K134 PolarHBondContact OD1-NZ 3.42Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 3.35Å
132A79.8Confident83.4Confident14 Ų1474.9 Ų74.912%0.11638%0.375CS..Hα-helixtrans-59.6-41.2169.500000112.4L36 V39 L128 T129 I135 K136L36-A132 HydrophobicContact CD1-CB 4.01Å; V39-A132 HydrophobicContact CG1-CB 3.87Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 2.97Å; T129-A132 PolarHBondContact O-N 2.99Å; A132-I135 PolarHBondContact O-N 3.06Å; A132-K136 WeakPolarHBondContact O-CG 3.44Å; A132-K136 PolarHBondContact O-N 3.21Å
133A80.9Confident82.8Confident57 Ų5776.4 Ų76.447%0.47138%0.381SS..Hα-helixtrans-65.4-40.9177.300000112.1T129 K130 D131 K136 A137T129-A133 WeakPolarHBondContact O-CB 3.41Å; T129-A133 PolarHBondContact O-N 3.49Å; K130-A133 WeakPolarHBondContact O-CB 3.35Å; K130-A133 PolarHBondContact O-N 2.97Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3Å; A133-K136 PolarHBondContact O-N 3.09Å; A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 2.94Å
134K86.4Confident82.2Confident116 Ų11674.9 Ų74.950%0.50437%0.371SS..Hα-helixtrans-61.3-46.4173.9-70.4171.2-171.4162.70111.7K130 D131 K136 A137 H138K130-K134 WeakPolarHBondContact O-CG 3.4Å; K130-K134 PolarHBondContact O-N 3.26Å; D131-K134 PolarHBondContact O-N 3.39Å; D131-K134 IonicContact OD1-NZ 3.06Å; D131-K134 PolarHBondContact OD1-NZ 3.42Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.38Å; K134-A137 PolarHBondContact O-N 3.28Å; K134-H138 PolarHBondContact O-N 3.38Å
135I79.4Confident81.6Confident29 Ų2971.8 Ų71.815%0.14937%0.365CS..Hα-helixtrans-59.1-47.2176.9-68.3165.5000110.2L32 D35 L36 V39 D131 A132 A137 H138 I139L32-I135 HydrophobicContact CB-CG2 4.48Å; L32-I135 HydrophobicContact CD2-CG2 3.91Å; D35-I135 HydrophobicContact CB-CD1 4.23Å; L36-I135 HydrophobicContact CB-CG2 4.12Å; V39-I135 HydrophobicContact CG2-CD1 4.15Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 3.35Å; A132-I135 PolarHBondContact O-N 3.06Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 3.02Å; I135-H138 PolarHBondContact O-N 2.87Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.28Å; I135-I139 PolarHBondContact O-N 3.22Å
136K79.4Confident80.9Confident121 Ų12172.2 Ų72.253%0.52637%0.367SS..Hα-helixtrans-60.3-41.4176.2-74.8178.5-177.4-178.40112.6L36 A132 A133 K134 I139 R140L36-K136 HydrophobicContact CD1-CG 4.09Å; L36-K136 HydrophobicContact CD2-CG 3.99Å; A132-K136 WeakPolarHBondContact O-CG 3.44Å; A132-K136 PolarHBondContact O-N 3.21Å; A133-K136 PolarHBondContact O-N 3.09Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.38Å; K136-I139 PolarHBondContact O-N 2.99Å; K136-R140 WeakPolarHBondContact O-CB 3.17Å; K136-R140 PolarHBondContact O-N 3.11Å
137A82Confident80Confident49 Ų4972.1 Ų72.141%0.40536%0.363SS..Hα-helixtrans-65-43.3177.600000111.7A133 K134 I135 R140 M141A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 2.94Å; K134-A137 PolarHBondContact O-N 3.28Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 3.02Å; A137-R140 PolarHBondContact O-N 3.42Å; A137-M141 PolarHBondContact O-N 3.34Å
138H79.3Confident79.2Confident114 Ų11475.5 Ų75.553%0.52838%0.379SS..Hα-helixtrans-60.7-45.6174.6-75.3-174.5000111.9L32 K134 I135 R140 M141 V142L32-H138 HydrophobicContact CD2-CB 4.37Å; K134-H138 PolarHBondContact O-N 3.38Å; I135-H138 PolarHBondContact O-N 2.87Å; H138-R140 VanDerWaalsContact C-N 3.29Å; H138-R140 PolarHBondContact O-N 2.9Å; H138-M141 PolarHBondContact O-N 2.86Å; H138-V142 WeakPolarHBondContact O-CG2 3.33Å; H138-V142 PolarHBondContact O-N 3.38Å
139I77.4Confident78.6Confident22 Ų2280.7 Ų80.711%0.11341%0.406CS..Hα-helixtrans-55.5-48.7174.5-66.9166.1000110I28 L32 I135 K136 V142 L143I28-I139 HydrophobicContact CG2-CG2 3.93Å; L32-I139 HydrophobicContact CB-CD1 3.8Å; L32-I139 HydrophobicContact CB-CG1 3.52Å; L32-I139 HydrophobicContact CD1-CG1 3.97Å; L32-I139 HydrophobicContact CD2-CG1 4.08Å; L32-I139 HydrophobicContact CG-CG1 4.07Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.28Å; I135-I139 PolarHBondContact O-N 3.22Å; K136-I139 PolarHBondContact O-N 2.99Å; I139-V142 PolarHBondContact O-N 3.34Å; I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 2.93Å; I139-L143 PolarHBondContact O-N 3.03Å
140R77.4Confident77.6Confident177 Ų17781.8 Ų81.867%0.66841%0.406SS*.Hα-helixtrans-63.3-45.9-178.1-166.6174.6-175.7-173.3-0.1111.7K136 A137 H138 V142 L143 E144K136-R140 WeakPolarHBondContact O-CB 3.17Å; K136-R140 PolarHBondContact O-N 3.11Å; A137-R140 PolarHBondContact O-N 3.42Å; H138-R140 VanDerWaalsContact C-N 3.29Å; H138-R140 PolarHBondContact O-N 2.9Å; R140-V142 VanDerWaalsContact C-N 3.34Å; R140-V142 PolarHBondContact O-N 2.95Å; R140-L143 PolarHBondContact O-N 3.38Å; R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 WeakPolarHBondContact O-CG 3.36Å; R140-E144 PolarHBondContact O-N 3.27Å
141M79.4Confident76.1Confident136 Ų13679.1 Ų79.167%0.6741%0.412SS*.Hα-helixtrans-58.2-44.9177-80.6-175.16500112.4A137 H138 G145A137-M141 PolarHBondContact O-N 3.34Å; H138-M141 PolarHBondContact O-N 2.86Å; M141-G145 PolarHBondContact O-N 3.44Å
142V78.7Confident74.7Confident47 Ų4782 Ų8229%0.28543%0.427SS..Hα-helixtrans-66.3-41.8179.5178.20000110.7Y24 I28 H138 I139 R140 G145 L146Y24-V142 HydrophobicContact CD1-CG1 4.24Å; Y24-V142 HydrophobicContact CG-CG1 4.47Å; I28-V142 HydrophobicContact CD1-CB 4.19Å; I28-V142 HydrophobicContact CD1-CG1 3.73Å; I28-V142 HydrophobicContact CG1-CG1 4.36Å; H138-V142 WeakPolarHBondContact O-CG2 3.33Å; H138-V142 PolarHBondContact O-N 3.38Å; I139-V142 PolarHBondContact O-N 3.34Å; R140-V142 VanDerWaalsContact C-N 3.34Å; R140-V142 PolarHBondContact O-N 2.95Å; V142-G145 PolarHBondContact O-N 2.93Å; V142-L146 HydrophobicContact CG1-CD1 4.23Å; V142-L146 HydrophobicContact CG1-CG 4.45Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.49Å
143L74.7Confident73.2Confident81 Ų8190.3 Ų90.342%0.42446%0.464SS..Hα-helixtrans-63.3-43.1177.5-72.2173.3000112.9I28 I139 R140 L146 R147I28-L143 HydrophobicContact CD1-CD2 3.76Å; I28-L143 HydrophobicContact CD1-CG 4.02Å; I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 2.93Å; I139-L143 PolarHBondContact O-N 3.03Å; R140-L143 PolarHBondContact O-N 3.38Å; L143-L146 PolarHBondContact O-N 3.29Å; L143-R147 PolarHBondContact O-N 3.38Å
144E77.8Confident71.8Confident80 Ų8094.3 Ų94.337%0.37447%0.473SS..Hα-helixtrans-67.8-40.7176.3-61.7-59.7166.100111.3R140 L146 R147 E148R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 WeakPolarHBondContact O-CG 3.36Å; R140-E144 PolarHBondContact O-N 3.27Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 3.26Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-E148 PolarHBondContact O-N 3.34Å
145G76.9Confident69.8Low28 Ų2895.7 Ų95.729%0.28949%0.485SS..Hα-helixtrans-62-37175.200000113.1M141 V142 L149M141-G145 PolarHBondContact O-N 3.44Å; V142-G145 PolarHBondContact O-N 2.93Å; G145-L149 WeakPolarHBondContact O-CB 3.36Å; G145-L149 VanDerWaalsContact O-CG 3.24Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 2.96Å; G145-L149 VanDerWaalsContact O-N 3.11Å
146L71.6Confident68.1Low15 Ų1597.2 Ų97.28%0.07950%0.498CS..Hα-helixtrans-67.3-39172.6-69.5174.1000112V21 Y24 V142 L143 E144 L149 Q150V21-L146 HydrophobicContact CG2-CD2 4.02Å; Y24-L146 HydrophobicContact CD2-CD2 3.86Å; Y24-L146 HydrophobicContact CG-CD2 4.35Å; V142-L146 HydrophobicContact CG1-CD1 4.23Å; V142-L146 HydrophobicContact CG1-CG 4.45Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.49Å; L143-L146 PolarHBondContact O-N 3.29Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 3.11Å; L146-Q150 WeakPolarHBondContact O-CB 3.24Å; L146-Q150 WeakPolarHBondContact O-CG 3.5Å; L146-Q150 PolarHBondContact O-N 3.38Å
147R69.6Low66.5Low93 Ų9395.4 Ų95.435%0.35149%0.494SS..Hα-helixtrans-61.8-43.3176.6177.7-178.6-96.7-153-8.1111.8L143 E144 Q150 G151 L152L143-R147 PolarHBondContact O-N 3.38Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 VanDerWaalsContact O-N 3.11Å; R147-Q150 PolarHBondContact O-N 3.08Å; R147-G151 PolarHBondContact O-N 3.02Å; R147-L152 HydrophobicContact CG-CB 4.27Å; R147-L152 PolarHBondContact O-N 3.11Å
148E73.4Confident64.7Low157 Ų15798.5 Ų98.573%0.73451%0.508SS*.Hα-helixtrans-63.8-43.7175.5-71.4177.7-174.900111.9E144 Q150 G151E144-E148 PolarHBondContact O-N 3.34Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.28Å; E148-G151 PolarHBondContact O-N 3.26Å; E148-G151 VanDerWaalsContact O-N 3.11Å
149L69.9Low63Low122 Ų12298 Ų9864%0.63952%0.516SS*.Hα-helixtrans-67.1-27.7178.5-71.8171.4000113.4G145 L146 G151G145-L149 WeakPolarHBondContact O-CB 3.36Å; G145-L149 VanDerWaalsContact O-CG 3.24Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 2.96Å; G145-L149 VanDerWaalsContact O-N 3.11Å; L146-L149 PolarHBondContact O-N 3.11Å; L149-G151 VanDerWaalsContact C-N 3.29Å
150Q63.8Low61.3Low91 Ų91106 Ų10643%0.42555%0.545SS..THydrogen-bonded Turntrans-82.7-3174.8-73.8179.1-15.500113.4V21 L146 R147 E148 L152V21-Q150 HydrophobicContact CG2-CG 4.48Å; L146-Q150 WeakPolarHBondContact O-CB 3.24Å; L146-Q150 WeakPolarHBondContact O-CG 3.5Å; L146-Q150 PolarHBondContact O-N 3.38Å; R147-Q150 PolarHBondContact O-N 3.08Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.28Å; Q150-L152 HydrophobicContact CB-CD1 4.45Å; Q150-L152 HydrophobicContact CB-CG 4.47Å; Q150-L152 PolarHBondContact O-N 3.09Å
151G56.3Low59.7Low63 Ų63105.4 Ų105.465%0.64955%0.547SS*.THydrogen-bonded Turntrans65.420.7179.200000113.9R147 E148 L149 E153R147-G151 PolarHBondContact O-N 3.02Å; E148-G151 PolarHBondContact O-N 3.26Å; E148-G151 VanDerWaalsContact O-N 3.11Å; L149-G151 VanDerWaalsContact C-N 3.29Å; G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact O-N 3.08Å
152L55Low57.8Low110 Ų110102.8 Ų102.858%0.57654%0.542SS*.  trans-8477.5175-72.7171.5000109R147 Q150 E154R147-L152 HydrophobicContact CG-CB 4.27Å; R147-L152 PolarHBondContact O-N 3.11Å; Q150-L152 HydrophobicContact CB-CD1 4.45Å; Q150-L152 HydrophobicContact CB-CG 4.47Å; Q150-L152 PolarHBondContact O-N 3.09Å; L152-E154 PolarHBondContact O-N 2.94Å
153E48.8Very low56.1Low188 Ų188104.2 Ų104.288%0.87956%0.559SS**  trans-60.3120.6162.8-100.4178.916300109.6G151G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact O-N 3.08Å
154E49.8Very low54.6Low141 Ų141104.7 Ų104.766%0.65957%0.574SS**  trans47.594.3159.1-59.9-158.9145.700119.5L152L152-E154 PolarHBondContact O-N 2.94Å
155L45.3Very low52.9Low145 Ų145105 Ų10576%0.75959%0.591SS**  trans-123.764138.7-70.9175.8000109.5
156S43.9Very low51.3Low61 Ų61107.5 Ų107.543%0.42761%0.609SS.*  trans-107-4.7167.8900000113.9
157D44.5Very low49.9Very low83 Ų83115.4 Ų115.444%0.44465%0.645SS.*SBendtrans-97.4-3.4-173.6-95.32.5000116.3
158V45.2Very low48.5Very low114 Ų114122.6 Ų122.669%0.69169%0.689SS**THydrogen-bonded Turntrans-83.3-21.7-179.6-178.10000112.9
159C42.8Very low47.3Very low104 Ų104120.9 Ų120.970%0.70369%0.687SS**THydrogen-bonded Turntrans-92.8-16.5-178-164.30000114.1
160R43.6Very low46.1Very low189 Ų189120.8 Ų120.871%0.71369%0.69SS**THydrogen-bonded Turntrans-84.9-21.8-178.5-141.6-179.1-67164.14.3113.7
161K43Very low45.1Very low165 Ų165122.4 Ų122.472%0.71770%0.704SS**SBendtrans-92.2-13.1-178.1-68.5-179.2-177.51720114.8
162S40.1Very low44.4Very low81 Ų81125.9 Ų125.957%0.56671%0.708SS**SBendtrans-88.7-19.5178.354.20000114.3
163A42.1Very low43.8Very low78 Ų78126.9 Ų126.965%0.64572%0.716SS**THydrogen-bonded Turntrans-81.5-17.3176.800000113.9
164A43.4Very low43.4Very low90 Ų90122.9 Ų122.974%0.74471%0.705SS**THydrogen-bonded Turntrans-89.7-3.4-178.600000114.3
165A42.6Very low43Very low88 Ų88121.6 Ų121.673%0.72771%0.708SS**SBendtrans-108.26.1-177.400000114.3
166A42.7Very low42.8Very low80 Ų80119.8 Ų119.866%0.66170%0.704SS**SBendtrans-106.513-177.900000114.3
167Q43Very low42.7Very low180 Ų180124.7 Ų124.784%0.84173%0.727SS**  trans-135.472.8174.5-83.5165.5-20.800110.6
168L39.8Very low42.6Very low244 Ų244128.5 Ų128.5100%1.27775%0.753SS**  trans-139.70146.3-88.1170.8000106.7

Retrieved 168 of 168 residues in 221.8 ms (Link to these results)