A0A096N8R3_PAPAN Loading...

Zinc finger protein 24

Transcription factor required for myelination of differentiated oligodendrocytes. Required for the conversion of oligodendrocytes from the premyelinating to the myelinating state. In the developing central nervous system (CNS), involved in the maintenance in the progenitor stage by promoting the cell cycle. Specifically binds to the 5'-TCAT-3' DNA sequence. Has transcription repressor activity in vitro.

AlphaFold DB (A0A2K5URW2), UniProt , Accession A0A096N8R3, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF24, Length 368 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
1M36.8Very low36.4Very low239 Ų239156.2 Ų156.2100%1.17788%0.876SS**  0114.10-49.1-177.89400105.1
2S34.3Very low36.3Very low109 Ų109157 Ų15776%0.76288%0.875SS**  cis-156.5129.87.5-65.30000104.9
3A34.3Very low36.3Very low103 Ų103156.5 Ų156.585%0.85187%0.868SS**  52.9106.396.300000114.7
4Q35.5Very low36.3Very low198 Ų198156.1 Ų156.193%0.92586%0.861SS**  trans-121.1145.2156.4-93.3-177.1-1800108.7
5S41.2Very low36.4Very low115 Ų115151.3 Ų151.380%0.80484%0.84SS**  trans-77.8154-163.4-36.90000115
6V36.6Very low36.6Very low142 Ų142147.3 Ų147.386%0.86182%0.82SS**  trans-148116.7149-130.30000107.9
7E37.5Very low37.1Very low191 Ų191144.8 Ų144.889%0.89381%0.812SS**  trans-99.2132.3164-75.7-178.9145.600107.6
8E38.2Very low37.3Very low189 Ų189143.3 Ų143.388%0.88380%0.802SS**  trans-96.1114.7176.6-68.9178.5130.600109.1
9D35.8Very low37.8Very low156 Ų156140.4 Ų140.483%0.83478%0.782SS**  trans-91.6125.9168.8-86.8-32.8000110.6I11D9-I11 PolarHBondContact O-N 3.43Å
10S34.5Very low38.4Very low123 Ų123137.2 Ų137.286%0.8676%0.761SS**  trans-74.7114.3175.6-65.30000110.4
11I36.4Very low38.7Very low153 Ų153135.4 Ų135.479%0.78575%0.747SS**  trans-76.9122.1179.6-64.5169.6000110.2D9 I13D9-I11 PolarHBondContact O-N 3.43Å; I11-I13 PolarHBondContact O-N 3.2Å
12L34.1Very low38.8Very low166 Ų166130 Ų13087%0.86972%0.716SS**  trans-69.1114.5162.9-83.5160.4000109.3
13I37.3Very low39Very low151 Ų151130.9 Ų130.977%0.77471%0.711SS**  trans-85.7113.2175.1-58.8174.7000108.3I11I11-I13 PolarHBondContact O-N 3.2Å
14I35.4Very low39.2Very low150 Ų150130.9 Ų130.977%0.76970%0.696SS**PPolyproline II helixtrans-82.6126.4170.1-57.6174.1000108
15P38.8Very low39.2Very low84 Ų84130 Ų13055%0.54569%0.685SS.*PPolyproline II helixtrans-71148.9179.3-5.920.7000111.6
16T39.1Very low38.8Very low87 Ų87130.6 Ų130.653%0.53468%0.683SS.*PPolyproline II helixtrans-79.6155.7177.452.60000112D18 E19T16-D18 PolarHBondContact O-N 3.44Å; T16-D18 VanDerWaalsContact O-N 3.11Å; T16-E19 PolarHBondContact O-N 3.1Å
17P45.2Very low38.8Very low105 Ų105133 Ų13368%0.68268%0.682SS**Hα-helixtrans-56.1-30.3-175.7-26.434.5000115.2E19 E20 E21P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.42Å; P17-E20 PolarHBondContact O-N 3.26Å; P17-E21 PolarHBondContact O-N 3.32Å
18D41.2Very low38.8Very low118 Ų118131.1 Ų131.163%0.63168%0.677SS**Hα-helixtrans-70-26.5178.3-76.5-21.4000113.2T16 K22T16-D18 PolarHBondContact O-N 3.44Å; T16-D18 VanDerWaalsContact O-N 3.11Å; D18-K22 PolarHBondContact O-N 2.9Å
19E46.3Very low38.8Very low88 Ų88130.6 Ų130.641%0.41168%0.675SS.*Hα-helixtrans-81.1-29177.4-69.5-67.4126.500111.3T16 P17 K22 I23T16-E19 PolarHBondContact O-N 3.1Å; P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.42Å; E19-K22 PolarHBondContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E19-I23 WeakPolarHBondContact O-CD1 3.48Å; E19-I23 VanDerWaalsContact O-CG1 3.28Å; E19-I23 WeakPolarHBondContact O-CG1 3.33Å; E19-I23 PolarHBondContact O-N 2.96Å; E19-I23 VanDerWaalsContact O-N 3.17Å
20E50.1Low38.9Very low77 Ų77131.5 Ų131.536%0.3667%0.674SS.*Hα-helixtrans-68.1-35.7170.6-67.1-161.8152.800112.7P17 K22 I23 L24 R54P17-E20 PolarHBondContact O-N 3.26Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-I23 PolarHBondContact O-N 3.35Å; E20-L24 PolarHBondContact O-N 3.09Å; E20-R54 IonicContact OE2-NH2 3.41Å
21E44.8Very low38.7Very low100 Ų100133.1 Ų133.147%0.46767%0.673SS.*Hα-helixtrans-69.6-32.5176.9-143.7-160.5138.700111.8P17 R25P17-E21 PolarHBondContact O-N 3.32Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.24Å; E21-R25 IonicContact OE1-NE 3.43Å; E21-R25 PolarHBondContact OE1-NE 3.27Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 3.32Å
22K38.3Very low39.2Very low124 Ų124130.6 Ų130.654%0.53967%0.667SS.*Hα-helixtrans-68.7-40.3172.4-85.3178.9-170.6160.60113.2D18 E19 E20 L24 R25 V26D18-K22 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E20-K22 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 2.92Å; K22-R25 PolarHBondContact O-N 3.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.41Å; K22-V26 PolarHBondContact O-N 3.42Å
23I39.4Very low39.1Very low129 Ų129130.6 Ų130.666%0.66267%0.668SS**Hα-helixtrans-62.3-32.7179.3-67.9163.5000111.1E19 E20E19-I23 WeakPolarHBondContact O-CD1 3.48Å; E19-I23 VanDerWaalsContact O-CG1 3.28Å; E19-I23 WeakPolarHBondContact O-CG1 3.33Å; E19-I23 PolarHBondContact O-N 2.96Å; E19-I23 VanDerWaalsContact O-N 3.17Å; E20-I23 PolarHBondContact O-N 3.35Å
24L37.1Very low39.6Very low102 Ų102127.1 Ų127.153%0.53467%0.669SS.*Hα-helixtrans-79.6-31.4176-90.2149000113.9E20 K22E20-L24 PolarHBondContact O-N 3.09Å; K22-L24 PolarHBondContact O-N 2.92Å
25R35.6Very low39.4Very low181 Ų181129.5 Ų129.568%0.68368%0.677SS**Hα-helixtrans-74.5-21.6178-77.5-174.1-169.2-137.46.7114.5E21 K22 K27E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.24Å; E21-R25 IonicContact OE1-NE 3.43Å; E21-R25 PolarHBondContact OE1-NE 3.27Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 3.32Å; K22-R25 PolarHBondContact O-N 3.42Å; R25-K27 PolarHBondContact O-N 3.38Å
26V32.7Very low39.5Very low127 Ų127135 Ų13577%0.7770%0.695SS**THydrogen-bonded Turntrans-72.9-2.8179.9173.30000113.1K22K22-V26 WeakPolarHBondContact O-CG2 3.41Å; K22-V26 PolarHBondContact O-N 3.42Å
27K37.3Very low39.6Very low191 Ų191134.6 Ų134.683%0.8371%0.708SS**THydrogen-bonded Turntrans-122.721.7-175.1-130.6164.5-172.7170.40115.9R25R25-K27 PolarHBondContact O-N 3.38Å
28L36.8Very low38.9Very low153 Ų153135 Ų13580%0.80171%0.714SS**SBendtrans-122.19.4-179.4-81175.4000115.8
29E39Very low38.7Very low178 Ų178134.2 Ų134.283%0.83272%0.718SS**SBendtrans-125.7132168.9-69.8-164.4160.100112.3
30E37.8Very low38.2Very low175 Ų175137 Ų13782%0.81873%0.734SS**  trans81.594.6171.5-47.9-167.6156.100117.2
31D29.5Very low37.3Very low156 Ų156138.4 Ų138.483%0.83475%0.75SS**  -155.7143.789.4-92.5-39.7000112.8
32P47.3Very low37.4Very low101 Ų101143.1 Ų143.166%0.65676%0.763SS**  trans-87.8130.3173.434.6-27.9000110.1
33D32.7Very low37.3Very low166 Ų166143.8 Ų143.889%0.88877%0.772SS**  trans134.6123.3155.7-68.9-31.2000110.9
34G46.6Very low37.9Very low78 Ų78146.2 Ų146.280%0.80478%0.781SS**  trans-68.8134-167.200000113.4
35E32.1Very low38.4Very low199 Ų199144.9 Ų144.993%0.9377%0.774SS**  trans-142.4141.7140.4-82.7-152.815400110.6
36E41Very low39.5Very low200 Ų200138.9 Ų138.994%0.93576%0.758SS**  trans-76.5129.2-177.2-150.6172.5-165.700109.5
37G41.8Very low41.2Very low78 Ų78137.4 Ų137.480%0.80475%0.746SS**  trans90.795.2164.600000115.9
38S29Very low42.6Very low115 Ų115131 Ų13180%0.80472%0.724SS**  trans-142115.1155.5-171.90000109.9I40S38-I40 PolarHBondContact O-N 2.99Å
39S38.6Very low44.3Very low101 Ų101125.1 Ų125.171%0.70669%0.692SS**PPolyproline II helixtrans-62.1119.6168.3-74.30000108.5
40I35.4Very low46Very low146 Ų146118.9 Ų118.975%0.74966%0.664SS**PPolyproline II helixtrans-62.9128.7169.3-59.3179.2000107.8S38 W42S38-I40 PolarHBondContact O-N 2.99Å; I40-W42 PolarHBondContact O-N 3.2Å
41P31.1Very low48Very low107 Ų107111.3 Ų111.370%0.69563%0.628SS**PPolyproline II helixtrans-59.9128.7179.9-23.433000112.6N43P41-N43 PolarHBondContact O-N 3.25Å
42W46.7Very low50.4Low199 Ų199104.4 Ų104.475%0.75459%0.591SS**THydrogen-bonded Turntrans-6916.5-168.5-66.498.1000117.3I40 L45I40-W42 PolarHBondContact O-N 3.2Å; W42-L45 HydrophobicContact CE3-CD1 3.48Å; W42-L45 VanDerWaalsContact CE3-CD1 3.48Å; W42-L45 HydrophobicContact CZ3-CD1 3.74Å
43N36.7Very low51.6Low137 Ų137104.2 Ų104.273%0.73358%0.581SS**THydrogen-bonded Turntrans-994-167.8-74.5-2.3000115.6P41P41-N43 PolarHBondContact O-N 3.25Å
44H50.4Low53.7Low181 Ų181100.9 Ų100.984%0.83856%0.556SS**  trans-142.628.9-179-64.1-64.9000114.4
45L49.5Very low55.5Low74 Ų74100.1 Ų100.139%0.38753%0.531SS..  trans-67131.2173.4-98.9123.7000110W42 F51 L79W42-L45 HydrophobicContact CE3-CD1 3.48Å; W42-L45 VanDerWaalsContact CE3-CD1 3.48Å; W42-L45 HydrophobicContact CZ3-CD1 3.74Å; L45-F51 HydrophobicContact CD2-CE2 4.43Å; L45-L79 HydrophobicContact CD2-CD2 4.3Å
46P58.3Low57.6Low55 Ų5594.4 Ų94.436%0.35750%0.501SS..  trans-55.2152.2174-19.628.1000111.5I50 F51 R82P46-I50 HydrophobicContact CB-CB 4.18Å; P46-I50 HydrophobicContact CB-CD1 3.76Å; P46-I50 HydrophobicContact CB-CG2 4.24Å; P46-F51 HydrophobicContact CB-CE2 3.77Å; P46-F51 HydrophobicContact CB-CZ 4.16Å; P46-F51 HydrophobicContact CG-CE2 3.89Å; P46-F51 HydrophobicContact CG-CZ 3.8Å; P46-R82 PolarHBondContact O-NH2 3.42Å
47D67.6Low59.2Low96 Ų9691.2 Ų91.251%0.51349%0.486SS..  trans-45.5132.5171.8-169.1-40.2000110.5E49 I50D47-E49 PolarHBondContact O-N 3.31Å; D47-E49 PolarHBondContact OD1-N 3.07Å; D47-I50 HydrophobicContact CB-CD1 4.04Å; D47-I50 HydrophobicContact CB-CG1 4.19Å; D47-I50 WeakPolarHBondContact O-CB 3.4Å; D47-I50 PolarHBondContact O-N 3Å
48P67.8Low61Low55 Ų5590 Ų9036%0.35746%0.459SS..Hα-helixtrans-43.5-32.3170.6-29.434.6000114.6I50 F51 R52P48-I50 VanDerWaalsContact C-N 3.34Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-F51 PolarHBondContact O-N 3.47Å; P48-R52 PolarHBondContact O-N 3.15Å; P48-R52 VanDerWaalsContact O-N 3.09Å
49E70.9Confident63.1Low30 Ų3085.8 Ų85.814%0.1443%0.433CS..Hα-helixtrans-67.5-31.2178.2-168.459.4-149.100112.9D47 F51 R52 Q53 R56D47-E49 PolarHBondContact O-N 3.31Å; D47-E49 PolarHBondContact OD1-N 3.07Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-F51 PolarHBondContact O-N 3.12Å; E49-R52 WeakPolarHBondContact O-CB 3.26Å; E49-R52 PolarHBondContact O-N 2.99Å; E49-R52 WeakPolarHBondContact OE2-CD 3.5Å; E49-R52 IonicContact OE2-NH1 3.77Å; E49-R52 PolarHBondContact OE2-NH1 3.38Å; E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.5Å; E49-R56 IonicContact OE1-CZ 3.41Å; E49-R56 IonicContact OE1-NH1 2.69Å; E49-R56 PolarHBondContact OE1-NH1 3.19Å; E49-R56 IonicContact OE1-NH2 3.22Å; E49-R56 PolarHBondContact OE1-NH2 3.13Å
50I76.2Confident64.4Low47 Ų4788.3 Ų88.324%0.24143%0.428CS..Hα-helixtrans-64.3-41.5176.4-66.5167.8000110.4P46 D47 P48 Q53 R54P46-I50 HydrophobicContact CB-CB 4.18Å; P46-I50 HydrophobicContact CB-CD1 3.76Å; P46-I50 HydrophobicContact CB-CG2 4.24Å; D47-I50 HydrophobicContact CB-CD1 4.04Å; D47-I50 HydrophobicContact CB-CG1 4.19Å; D47-I50 WeakPolarHBondContact O-CB 3.4Å; D47-I50 PolarHBondContact O-N 3Å; P48-I50 VanDerWaalsContact C-N 3.34Å; P48-I50 PolarHBondContact O-N 3.4Å; I50-Q53 PolarHBondContact O-N 2.96Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.27Å
51F79.9Confident65.8Low16 Ų1690.2 Ų90.27%0.0743%0.434CS..Hα-helixtrans-70.1-36.8176.9-68.3-71.8000112.1L45 P46 P48 E49 R54 F55 L76 L79 W80L45-F51 HydrophobicContact CD2-CE2 4.43Å; P46-F51 HydrophobicContact CB-CE2 3.77Å; P46-F51 HydrophobicContact CB-CZ 4.16Å; P46-F51 HydrophobicContact CG-CE2 3.89Å; P46-F51 HydrophobicContact CG-CZ 3.8Å; P48-F51 PolarHBondContact O-N 3.47Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-F51 PolarHBondContact O-N 3.12Å; F51-R54 PolarHBondContact O-N 3.2Å; F51-F55 WeakPolarHBondContact O-CB 3.38Å; F51-F55 PolarHBondContact O-N 2.82Å; F51-L76 HydrophobicContact CD1-CD2 4.49Å; F51-L79 HydrophobicContact CB-CB 4.46Å; F51-L79 HydrophobicContact CD1-CB 3.7Å; F51-L79 HydrophobicContact CD1-CD1 3.89Å; F51-L79 HydrophobicContact CD1-CG 4.43Å; F51-L79 HydrophobicContact CD2-CB 4.27Å; F51-L79 HydrophobicContact CE1-CB 3.95Å; F51-L79 HydrophobicContact CE1-CD1 3.44Å; F51-L79 VanDerWaalsContact CE1-CD1 3.44Å; F51-L79 HydrophobicContact CE1-CG 4.24Å; F51-L79 HydrophobicContact CE2-CB 4.46Å; F51-L79 HydrophobicContact CG-CB 3.88Å; F51-L79 HydrophobicContact CZ-CB 4.3Å; F51-L79 HydrophobicContact CZ-CD1 4.04Å; F51-W80 HydrophobicContact CB-CB 4.21Å
52R78.9Confident67.5Low11 Ų1190 Ų904%0.04243%0.427CS..Hα-helixtrans-61.6-46.2173.9-161176.9-153.1179.91.7111.3P48 E49 F55 R56 W80 L94 L97 E98 P117P48-R52 PolarHBondContact O-N 3.15Å; P48-R52 VanDerWaalsContact O-N 3.09Å; E49-R52 WeakPolarHBondContact O-CB 3.26Å; E49-R52 PolarHBondContact O-N 2.99Å; E49-R52 WeakPolarHBondContact OE2-CD 3.5Å; E49-R52 IonicContact OE2-NH1 3.77Å; E49-R52 PolarHBondContact OE2-NH1 3.38Å; R52-F55 WeakPolarHBondContact O-CB 3.31Å; R52-F55 PolarHBondContact O-N 2.96Å; R52-R56 VanDerWaalsContact CD-NH2 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.46Å; R52-R56 PolarHBondContact O-N 3.09Å; R52-W80 HydrophobicContact CB-CG 4.42Å; R52-L94 PolarHBondContact NH2-O 3.46Å; R52-L97 VanDerWaalsContact NH2-CG 3.29Å; R52-E98 WeakPolarHBondContact CD-OE1 2.95Å; R52-E98 WeakPolarHBondContact CG-OE1 3.13Å; R52-E98 IonicContact CZ-OE1 3.49Å; R52-E98 VanDerWaalsContact CZ-OE1 3.24Å; R52-E98 IonicContact NE-OE1 2.78Å; R52-E98 PolarHBondContact NE-OE1 3.06Å; R52-E98 IonicContact NH2-OE1 3.65Å; R52-E98 PolarHBondContact NH2-OE1 3.23Å; R52-P117 PolarHBondContact NH1-O 3.31Å
53Q73.6Confident68.7Low97 Ų9781.4 Ų81.445%0.45340%0.397SS..Hα-helixtrans-61.9-44.3175.9-171179.619.300111.8E49 I50 F55 R56 Q57E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.5Å; I50-Q53 PolarHBondContact O-N 2.96Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 2.83Å; Q53-R56 PolarHBondContact O-N 3.08Å; Q53-Q57 WeakPolarHBondContact O-CG 3.41Å; Q53-Q57 PolarHBondContact O-N 3.43Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å
54R76.8Confident70.3Confident96 Ų9680.7 Ų80.736%0.36240%0.4SS..Hα-helixtrans-63.6-37.7174.7-75.1-176.7179.2-173.11112.8E20 I50 F51 R56 Q57 F58 L76E20-R54 IonicContact OE2-NH2 3.41Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.27Å; F51-R54 PolarHBondContact O-N 3.2Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 2.77Å; R54-Q57 PolarHBondContact O-N 3.05Å; R54-F58 PolarHBondContact O-N 3.46Å; R54-L76 HydrophobicContact CB-CD2 4.06Å
55F82.6Confident71.7Confident62 Ų6273 Ų7327%0.27237%0.369SS..Hα-helixtrans-61.1-43.3174.3178.7-94.2000111.7F51 R52 Q53 Q57 F58 L73 L76 C77F51-F55 WeakPolarHBondContact O-CB 3.38Å; F51-F55 PolarHBondContact O-N 2.82Å; R52-F55 WeakPolarHBondContact O-CB 3.31Å; R52-F55 PolarHBondContact O-N 2.96Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 2.83Å; F55-Q57 VanDerWaalsContact C-N 3.27Å; F55-Q57 PolarHBondContact O-N 2.88Å; F55-F58 WeakPolarHBondContact O-CB 3.4Å; F55-F58 PolarHBondContact O-N 3.23Å; F55-L73 HydrophobicContact CD2-CD1 3.95Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.44Å; F55-L73 HydrophobicContact CZ-CD1 4.47Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F55-C77 WeakPolarHBondContact CE2-SG 3.34Å
56R76.6Confident73.1Confident79 Ų7973.4 Ų73.430%0.29838%0.377SS..Hα-helixtrans-63.6-32.1176.6-65.9172.4-167.5141.8-5.6112.9E49 R52 Q53 R54 E98E49-R56 IonicContact OE1-CZ 3.41Å; E49-R56 IonicContact OE1-NH1 2.69Å; E49-R56 PolarHBondContact OE1-NH1 3.19Å; E49-R56 IonicContact OE1-NH2 3.22Å; E49-R56 PolarHBondContact OE1-NH2 3.13Å; R52-R56 VanDerWaalsContact CD-NH2 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.46Å; R52-R56 PolarHBondContact O-N 3.09Å; Q53-R56 PolarHBondContact O-N 3.08Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 2.77Å; R56-E98 IonicContact CZ-OE1 3.55Å; R56-E98 IonicContact CZ-OE2 2.66Å; R56-E98 IonicContact NE-OE1 3.88Å; R56-E98 PolarHBondContact NE-OE1 3.11Å; R56-E98 IonicContact NE-OE2 2.96Å; R56-E98 PolarHBondContact NE-OE2 3.38Å; R56-E98 IonicContact NH2-OE1 3.63Å; R56-E98 PolarHBondContact NH2-OE1 3.08Å; R56-E98 IonicContact NH2-OE2 3.35Å
57Q74Confident74.1Confident134 Ų13481.2 Ų81.263%0.62640%0.399SS*.Hα-helixtrans-91.3-6.2-178-66.9175.29.700113.6Q53 R54 F55 G59Q53-Q57 WeakPolarHBondContact O-CG 3.41Å; Q53-Q57 PolarHBondContact O-N 3.43Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å; R54-Q57 PolarHBondContact O-N 3.05Å; F55-Q57 VanDerWaalsContact C-N 3.27Å; F55-Q57 PolarHBondContact O-N 2.88Å; Q57-G59 PolarHBondContact O-N 3.22Å; Q57-G59 VanDerWaalsContact O-N 3.11Å
58F80.3Confident74.8Confident53 Ų5381 Ų8123%0.23240%0.395CS..  trans-63.3111.9-175.4-177.9-99.6000112R54 F55 A69 Q72 L73 L76R54-F58 PolarHBondContact O-N 3.46Å; F55-F58 WeakPolarHBondContact O-CB 3.4Å; F55-F58 PolarHBondContact O-N 3.23Å; F58-A69 HydrophobicContact CZ-CB 4.36Å; F58-Q72 HydrophobicContact CE2-CB 3.91Å; F58-Q72 HydrophobicContact CZ-CB 4.24Å; F58-L73 HydrophobicContact CD1-CD1 3.93Å; F58-L73 HydrophobicContact CE1-CB 4.28Å; F58-L73 HydrophobicContact CE1-CD1 4.16Å; F58-L76 HydrophobicContact CB-CD1 4.24Å; F58-L76 HydrophobicContact CD2-CD1 3.71Å; F58-L76 HydrophobicContact CE2-CD1 4.37Å; F58-L76 HydrophobicContact CG-CD1 4.13Å
59G72.8Confident75.5Confident26 Ų2678.7 Ų78.727%0.26838%0.38SS..  trans-101.5146.317500000112.1Q57 Q61 D62Q57-G59 PolarHBondContact O-N 3.22Å; Q57-G59 VanDerWaalsContact O-N 3.11Å; G59-Q61 PolarHBondContact O-N 3.45Å; G59-Q61 VanDerWaalsContact O-N 3.14Å; G59-D62 VanDerWaalsContact CA-OD2 3.32Å; G59-D62 WeakPolarHBondContact CA-OD2 3.26Å; G59-D62 PolarHBondContact N-OD2 3.32Å; G59-D62 WeakPolarHBondContact O-CB 3.35Å; G59-D62 PolarHBondContact O-N 2.82Å
60Y67.5Low76Confident153 Ų15381.8 Ų81.860%0.640%0.401SS*.G310 helixtrans-61-25.2175.5-173.2-95.4000112.9D62 S63 P66 A69Y60-D62 PolarHBondContact O-N 3.41Å; Y60-S63 PolarHBondContact O-OG 3.28Å; Y60-P66 WeakPolarHBondContact OH-CB 3.48Å; Y60-A69 HydrophobicContact CD2-CB 4.26Å; Y60-A69 HydrophobicContact CE2-CB 4.19Å
61Q64.6Low76.4Confident187 Ų18782.7 Ų82.787%0.87441%0.412SS*.G310 helixtrans-69.3-17.3177.5-64.9179.91.900113.1G59 S63G59-Q61 PolarHBondContact O-N 3.45Å; G59-Q61 VanDerWaalsContact O-N 3.14Å; Q61-S63 PolarHBondContact O-N 2.76Å
62D65.9Low76.5Confident103 Ų10384.9 Ų84.955%0.55142%0.422SS*.G310 helixtrans-79.92.3-178.4-54-36.6000112.8G59 Y60G59-D62 VanDerWaalsContact CA-OD2 3.32Å; G59-D62 WeakPolarHBondContact CA-OD2 3.26Å; G59-D62 PolarHBondContact N-OD2 3.32Å; G59-D62 WeakPolarHBondContact O-CB 3.35Å; G59-D62 PolarHBondContact O-N 2.82Å; Y60-D62 PolarHBondContact O-N 3.41Å
63S71.6Confident76.8Confident18 Ų1887.6 Ų87.613%0.12644%0.437CS..SBendtrans-119.7141.6-17575.20000113Y60 Q61 G65 A69Y60-S63 PolarHBondContact O-OG 3.28Å; Q61-S63 PolarHBondContact O-N 2.76Å; S63-G65 PolarHBondContact O-N 3.33Å; S63-G65 PolarHBondContact OG-O 3.43Å; S63-A69 WeakPolarHBondContact OG-CB 3.33Å
64P71.8Confident77.4Confident122 Ų12292.3 Ų92.379%0.79245%0.451SS*.SBendtrans-68.3-0.3173.9-1.78.9000114.3E68P64-E68 HydrophobicContact CG-CB 4.41Å; P64-E68 HydrophobicContact CG-CG 4.08Å
65G79.6Confident77.7Confident19 Ų1992 Ų9220%0.19645%0.453CS..SBendtrans161.5170.4178.500000114.1S63 R67 E68 A69S63-G65 PolarHBondContact O-N 3.33Å; S63-G65 PolarHBondContact OG-O 3.43Å; G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.23Å; G65-E68 PolarHBondContact O-N 2.9Å; G65-A69 PolarHBondContact O-N 3.44Å
66P77.1Confident77.8Confident83 Ų8390.3 Ų90.354%0.53945%0.447SS..Hα-helixtrans-63.3-29-17021.7-32.7000114.4Y60 V70Y60-P66 WeakPolarHBondContact OH-CB 3.48Å; P66-V70 VanDerWaalsContact O-CG2 3.27Å; P66-V70 WeakPolarHBondContact O-CG2 3.44Å; P66-V70 PolarHBondContact O-N 3.43Å
67R81.1Confident78.2Confident218 Ų21888.3 Ų88.382%0.82345%0.445SS*.Hα-helixtrans-71.9-40.7176.3-73.9-171.9176.1-157.31111.4G65 V70 S71G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.23Å; R67-V70 PolarHBondContact O-N 3.15Å; R67-S71 PolarHBondContact O-N 2.77Å; R67-S71 VanDerWaalsContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.87Å
68E80.6Confident78.7Confident92 Ų9287.7 Ų87.743%0.4344%0.437SS..Hα-helixtrans-71.8-39.4-179.7-157.459.2-153.300110.8P64 G65 V70 S71 Q72P64-E68 HydrophobicContact CG-CB 4.41Å; P64-E68 HydrophobicContact CG-CG 4.08Å; G65-E68 PolarHBondContact O-N 2.9Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.49Å; E68-S71 PolarHBondContact O-N 3.11Å; E68-S71 VanDerWaalsContact O-N 3.15Å; E68-Q72 WeakPolarHBondContact O-CB 3.18Å; E68-Q72 WeakPolarHBondContact O-CG 3.44Å; E68-Q72 PolarHBondContact O-N 2.9Å
69A82.3Confident78.8Confident6 Ų687.1 Ų87.15%0.0544%0.436CS..Hα-helixtrans-54.3-45.6172.600000112.2F58 Y60 S63 G65 L73F58-A69 HydrophobicContact CZ-CB 4.36Å; Y60-A69 HydrophobicContact CD2-CB 4.26Å; Y60-A69 HydrophobicContact CE2-CB 4.19Å; S63-A69 WeakPolarHBondContact OG-CB 3.33Å; G65-A69 PolarHBondContact O-N 3.44Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 2.96Å
70V83.2Confident79.4Confident96 Ų9686.6 Ų86.658%0.58243%0.426SS*.Hα-helixtrans-69.9-37.6179.91720000111.4P66 R67 E68 R74P66-V70 VanDerWaalsContact O-CG2 3.27Å; P66-V70 WeakPolarHBondContact O-CG2 3.44Å; P66-V70 PolarHBondContact O-N 3.43Å; R67-V70 PolarHBondContact O-N 3.15Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.49Å; V70-R74 WeakPolarHBondContact O-CB 3.2Å; V70-R74 PolarHBondContact O-N 3.31Å
71S84.1Confident80.1Confident66 Ų6680.6 Ų80.646%0.46240%0.404SS..Hα-helixtrans-63.7-46.4174.8-64.60000111.6R67 E68 R74 E75R67-S71 PolarHBondContact O-N 2.77Å; R67-S71 VanDerWaalsContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.87Å; E68-S71 PolarHBondContact O-N 3.11Å; E68-S71 VanDerWaalsContact O-N 3.15Å; S71-R74 PolarHBondContact O-N 2.86Å; S71-E75 PolarHBondContact O-N 3.33Å
72Q82.5Confident80.9Confident61 Ų6174.7 Ų74.729%0.28537%0.374SS..Hα-helixtrans-63.9-45.7177.4-70.9174.5-2.400111.7F58 E68 R74 E75 L76F58-Q72 HydrophobicContact CE2-CB 3.91Å; F58-Q72 HydrophobicContact CZ-CB 4.24Å; E68-Q72 WeakPolarHBondContact O-CB 3.18Å; E68-Q72 WeakPolarHBondContact O-CG 3.44Å; E68-Q72 PolarHBondContact O-N 2.9Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.43Å; Q72-E75 PolarHBondContact O-N 3.41Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.4Å
73L84.6Confident81.5Confident68 Ų6873 Ų7336%0.35637%0.368SS..Hα-helixtrans-60.7-41.7176.2-17270.8000111.4F55 F58 A69 E75 L76 C77F55-L73 HydrophobicContact CD2-CD1 3.95Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.44Å; F55-L73 HydrophobicContact CZ-CD1 4.47Å; F58-L73 HydrophobicContact CD1-CD1 3.93Å; F58-L73 HydrophobicContact CE1-CB 4.28Å; F58-L73 HydrophobicContact CE1-CD1 4.16Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 2.96Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.76Å; L73-L76 PolarHBondContact O-N 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.43Å; L73-C77 PolarHBondContact O-SG 3.19Å
74R85Confident81.8Confident197 Ų19777.6 Ų77.674%0.74339%0.388SS*.Hα-helixtrans-62.6-39.1176.6-178176.5178.8-128.4-2.8111.5V70 S71 Q72 R78V70-R74 WeakPolarHBondContact O-CB 3.2Å; V70-R74 PolarHBondContact O-N 3.31Å; S71-R74 PolarHBondContact O-N 2.86Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.43Å; R74-R78 WeakPolarHBondContact O-CB 3.38Å; R74-R78 PolarHBondContact O-N 3.04Å
75E85Confident81.8Confident89 Ų8976.5 Ų76.542%0.41638%0.379SS..Hα-helixtrans-70.5-44.7178.1-168.457.2-155.600111.8S71 Q72 L73 C77 R78 L79S71-E75 PolarHBondContact O-N 3.33Å; Q72-E75 PolarHBondContact O-N 3.41Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.76Å; E75-C77 VanDerWaalsContact C-N 3.34Å; E75-C77 PolarHBondContact O-N 3.12Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-L79 HydrophobicContact CG-CD1 3.91Å; E75-L79 HydrophobicContact CG-CG 4.41Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.91Å
76L84.3Confident81.9Confident26 Ų2678.5 Ų78.514%0.13638%0.383CS..Hα-helixtrans-57.7-46.2173.7-71.4172.3000111.5F51 R54 F55 F58 Q72 L73 R78 L79 W80F51-L76 HydrophobicContact CD1-CD2 4.49Å; R54-L76 HydrophobicContact CB-CD2 4.06Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F58-L76 HydrophobicContact CB-CD1 4.24Å; F58-L76 HydrophobicContact CD2-CD1 3.71Å; F58-L76 HydrophobicContact CE2-CD1 4.37Å; F58-L76 HydrophobicContact CG-CD1 4.13Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.28Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.99Å; L76-L79 PolarHBondContact O-N 3.1Å; L76-W80 VanDerWaalsContact O-CB 3.27Å; L76-W80 WeakPolarHBondContact O-CB 3.21Å; L76-W80 PolarHBondContact O-N 2.93Å
77C84.8Confident82.3Confident37 Ų3778 Ų7825%0.2538%0.378CS..Hα-helixtrans-61.6-40.1175.2-730000112.5F55 L73 E75 L81F55-C77 WeakPolarHBondContact CE2-SG 3.34Å; L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.43Å; L73-C77 PolarHBondContact O-SG 3.19Å; E75-C77 VanDerWaalsContact C-N 3.34Å; E75-C77 PolarHBondContact O-N 3.12Å; C77-L81 VanDerWaalsContact O-CB 3.26Å; C77-L81 WeakPolarHBondContact O-CB 3.36Å; C77-L81 PolarHBondContact O-N 3.47Å
78R84.8Confident82.4Confident121 Ų12175.4 Ų75.446%0.45737%0.373SS..Hα-helixtrans-64.8-43.8177.6178.7-173.5166.877.69.1111R74 E75 L76 R82 E84R74-R78 WeakPolarHBondContact O-CB 3.38Å; R74-R78 PolarHBondContact O-N 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.12Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.99Å; R78-R82 VanDerWaalsContact O-CA 3.29Å; R78-R82 WeakPolarHBondContact O-CA 3.33Å; R78-R82 PolarHBondContact O-N 3.31Å; R78-E84 IonicContact CZ-OE1 2.74Å; R78-E84 IonicContact NH1-OE1 3.3Å; R78-E84 PolarHBondContact NH1-OE1 2.78Å; R78-E84 IonicContact NH2-OE1 3.47Å; R78-E84 PolarHBondContact NH2-OE1 3.08Å
79L82.6Confident82.4Confident42 Ų4277.1 Ų77.122%0.2238%0.381CS..Hα-helixtrans-74-32.8-177.7-67.6172.3000113.1L45 F51 E75 L76 R82L45-L79 HydrophobicContact CD2-CD2 4.3Å; F51-L79 HydrophobicContact CB-CB 4.46Å; F51-L79 HydrophobicContact CD1-CB 3.7Å; F51-L79 HydrophobicContact CD1-CD1 3.89Å; F51-L79 HydrophobicContact CD1-CG 4.43Å; F51-L79 HydrophobicContact CD2-CB 4.27Å; F51-L79 HydrophobicContact CE1-CB 3.95Å; F51-L79 HydrophobicContact CE1-CD1 3.44Å; F51-L79 VanDerWaalsContact CE1-CD1 3.44Å; F51-L79 HydrophobicContact CE1-CG 4.24Å; F51-L79 HydrophobicContact CE2-CB 4.46Å; F51-L79 HydrophobicContact CG-CB 3.88Å; F51-L79 HydrophobicContact CZ-CB 4.3Å; F51-L79 HydrophobicContact CZ-CD1 4.04Å; E75-L79 HydrophobicContact CG-CD1 3.91Å; E75-L79 HydrophobicContact CG-CG 4.41Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.91Å; L76-L79 PolarHBondContact O-N 3.1Å; L79-R82 WeakPolarHBondContact O-CG 3.33Å; L79-R82 PolarHBondContact O-NE 3.04Å
80W83.9Confident82.3Confident14 Ų1481.2 Ų81.25%0.05340%0.399CS..Hα-helixtrans-76.1-57174.5169.550.2000112.2F51 R52 L76 R82 L94 V95 E98F51-W80 HydrophobicContact CB-CB 4.21Å; R52-W80 HydrophobicContact CB-CG 4.42Å; L76-W80 VanDerWaalsContact O-CB 3.27Å; L76-W80 WeakPolarHBondContact O-CB 3.21Å; L76-W80 PolarHBondContact O-N 2.93Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 2.77Å; W80-L94 HydrophobicContact CZ2-CB 4.03Å; W80-L94 WeakPolarHBondContact CZ2-O 3.45Å; W80-V95 HydrophobicContact CH2-CG2 3.96Å; W80-V95 HydrophobicContact CZ3-CG2 4.36Å; W80-E98 HydrophobicContact CH2-CB 4.27Å; W80-E98 HydrophobicContact CH2-CG 3.56Å; W80-E98 HydrophobicContact CZ2-CB 4.44Å; W80-E98 HydrophobicContact CZ2-CG 3.38Å
81L83.1Confident82.4Confident28 Ų2878.3 Ų78.315%0.14738%0.38CS..Hα-helixtrans-77.2-20.7-173.9-64.6174.3000113.4C77 H86 I91 L94 V95C77-L81 VanDerWaalsContact O-CB 3.26Å; C77-L81 WeakPolarHBondContact O-CB 3.36Å; C77-L81 PolarHBondContact O-N 3.47Å; L81-H86 PolarHBondContact O-ND1 3.24Å; L81-I91 HydrophobicContact CD1-CG2 4.29Å; L81-I91 HydrophobicContact CD2-CG2 4.25Å; L81-L94 HydrophobicContact CD2-CB 4.12Å; L81-L94 HydrophobicContact CD2-CD1 4.46Å; L81-V95 HydrophobicContact CD1-CG2 4.43Å; L81-V95 HydrophobicContact CD2-CG2 3.94Å
82R81.3Confident82.3Confident62 Ų6280.3 Ų80.323%0.23439%0.385CS..  trans37.364.5-178.1-55.8-177.2179.8-177.4-0.9112P46 R78 L79 W80 E84 T85 H86P46-R82 PolarHBondContact O-NH2 3.42Å; R78-R82 VanDerWaalsContact O-CA 3.29Å; R78-R82 WeakPolarHBondContact O-CA 3.33Å; R78-R82 PolarHBondContact O-N 3.31Å; L79-R82 WeakPolarHBondContact O-CG 3.33Å; L79-R82 PolarHBondContact O-NE 3.04Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 2.77Å; R82-E84 PolarHBondContact O-N 3.29Å; R82-T85 WeakPolarHBondContact CB-OG1 3.33Å; R82-T85 PolarHBondContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.33Å; R82-T85 VanDerWaalsContact O-OG1 3.07Å; R82-H86 PolarHBondContact O-N 3.41Å; R82-H86 VanDerWaalsContact O-N 3.07Å; R82-H86 PolarHBondContact O-ND1 3.43Å
83P78.1Confident82.4Confident68 Ų6881.9 Ų81.944%0.44239%0.393SS..THydrogen-bonded Turntrans-63.4-12.6-17427.5-36.2000113.6I91P83-I91 HydrophobicContact CB-CD1 4.02Å
84E78.5Confident82.3Confident114 Ų11479.9 Ų79.953%0.53338%0.382SS..THydrogen-bonded Turntrans-74.9-23.7172-60.979.5-172.400113.4R78 R82R78-E84 IonicContact CZ-OE1 2.74Å; R78-E84 IonicContact NH1-OE1 3.3Å; R78-E84 PolarHBondContact NH1-OE1 2.78Å; R78-E84 IonicContact NH2-OE1 3.47Å; R78-E84 PolarHBondContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact O-N 3.29Å
85T72.3Confident82.3Confident100 Ų10073.6 Ų73.661%0.61337%0.366SS*.THydrogen-bonded Turntrans-112.1-27.6-175.659.70000113.2R82R82-T85 WeakPolarHBondContact CB-OG1 3.33Å; R82-T85 PolarHBondContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.33Å; R82-T85 VanDerWaalsContact O-OG1 3.07Å
86H80.2Confident82.2Confident61 Ų6173 Ų7328%0.28237%0.368SS..SBendtrans-96.2142.7-178.8-63.1105000112.8L81 R82 Q90 I91L81-H86 PolarHBondContact O-ND1 3.24Å; R82-H86 PolarHBondContact O-N 3.41Å; R82-H86 VanDerWaalsContact O-N 3.07Å; R82-H86 PolarHBondContact O-ND1 3.43Å; H86-Q90 HydrophobicContact CB-CB 4.06Å; H86-I91 HydrophobicContact CB-CD1 4.3Å; H86-I91 HydrophobicContact CB-CG1 3.7Å
87T86.4Confident82.1Confident71 Ų7171.9 Ų71.944%0.43636%0.362SS..  trans-67.7164.1167.960.10000111E89 Q90 I91T87-E89 PolarHBondContact O-N 2.78Å; T87-Q90 PolarHBondContact O-N 3.07Å; T87-Q90 VanDerWaalsContact OG1-CD 3.23Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.33Å; T87-Q90 PolarHBondContact OG1-N 3.03Å; T87-Q90 PolarHBondContact OG1-OE1 2.86Å; T87-I91 VanDerWaalsContact O-CG1 3.32Å; T87-I91 WeakPolarHBondContact O-CG1 3.48Å; T87-I91 PolarHBondContact O-N 2.89Å
88K81.9Confident82.1Confident164 Ų16471.3 Ų71.371%0.71336%0.356SS*.Hα-helixtrans-60.8-37179.3-70.5180-178.6172.90111.5I91 L92K88-I91 PolarHBondContact O-N 3.34Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.46Å; K88-L92 PolarHBondContact O-N 3.37Å
89E82.4Confident82Confident128 Ų12871.3 Ų71.360%0.59836%0.361SS*.Hα-helixtrans-64.6-48.5178.7-64.468.7-152.100110.3T87 I91 L92 E93T87-E89 PolarHBondContact O-N 2.78Å; E89-I91 VanDerWaalsContact C-N 3.34Å; E89-I91 PolarHBondContact O-N 3.01Å; E89-L92 WeakPolarHBondContact O-CB 3.37Å; E89-L92 PolarHBondContact O-N 2.84Å; E89-L92 VanDerWaalsContact O-N 3.12Å; E89-E93 PolarHBondContact O-N 3.47Å
90Q79.8Confident81.8Confident92 Ų9271.7 Ų71.743%0.4336%0.361SS..Hα-helixtrans-62.2-38.8176.3-73165.3-36.100113H86 T87 L92 E93 L94H86-Q90 HydrophobicContact CB-CB 4.06Å; T87-Q90 PolarHBondContact O-N 3.07Å; T87-Q90 VanDerWaalsContact OG1-CD 3.23Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.33Å; T87-Q90 PolarHBondContact OG1-N 3.03Å; T87-Q90 PolarHBondContact OG1-OE1 2.86Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.16Å; Q90-E93 PolarHBondContact O-N 3.09Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 3.36Å
91I84.3Confident81.5Confident36 Ų3671.5 Ų71.519%0.18536%0.361CS..Hα-helixtrans-63.7-39.6175.1-66.9167000110.8L81 P83 H86 T87 K88 E89 V95L81-I91 HydrophobicContact CD1-CG2 4.29Å; L81-I91 HydrophobicContact CD2-CG2 4.25Å; P83-I91 HydrophobicContact CB-CD1 4.02Å; H86-I91 HydrophobicContact CB-CD1 4.3Å; H86-I91 HydrophobicContact CB-CG1 3.7Å; T87-I91 VanDerWaalsContact O-CG1 3.32Å; T87-I91 WeakPolarHBondContact O-CG1 3.48Å; T87-I91 PolarHBondContact O-N 2.89Å; K88-I91 PolarHBondContact O-N 3.34Å; E89-I91 VanDerWaalsContact C-N 3.34Å; E89-I91 PolarHBondContact O-N 3.01Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.47Å; I91-V95 PolarHBondContact O-N 3.01Å
92L83.3Confident81.2Confident108 Ų10873.2 Ų73.257%0.56538%0.379SS*.Hα-helixtrans-65-43.7176.4-72170.5000111.1K88 E89 Q90 L94 V95 V96K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.46Å; K88-L92 PolarHBondContact O-N 3.37Å; E89-L92 WeakPolarHBondContact O-CB 3.37Å; E89-L92 PolarHBondContact O-N 2.84Å; E89-L92 VanDerWaalsContact O-N 3.12Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.16Å; L92-L94 PolarHBondContact O-N 3.4Å; L92-V95 PolarHBondContact O-N 2.86Å; L92-V96 WeakPolarHBondContact O-CB 3.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.29Å
93E84.1Confident80.9Confident93 Ų9376 Ų7644%0.43540%0.398SS..Hα-helixtrans-59-44.4176.4-71.4-57.2144.200112.4E89 Q90 V95 V96 L97 N119E89-E93 PolarHBondContact O-N 3.47Å; Q90-E93 PolarHBondContact O-N 3.09Å; E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.97Å; E93-V96 PolarHBondContact O-N 3.08Å; E93-L97 VanDerWaalsContact O-CB 3.3Å; E93-L97 WeakPolarHBondContact O-CB 3.3Å; E93-L97 PolarHBondContact O-N 2.75Å; E93-N119 HydrophobicContact CB-CB 4.48Å
94L83.2Confident80.7Confident27 Ų2774 Ų7414%0.14138%0.383CS..Hα-helixtrans-61.6-40.1177-71.7171.1000112.6R52 W80 L81 Q90 L92 E98R52-L94 PolarHBondContact NH2-O 3.46Å; W80-L94 HydrophobicContact CZ2-CB 4.03Å; W80-L94 WeakPolarHBondContact CZ2-O 3.45Å; L81-L94 HydrophobicContact CD2-CB 4.12Å; L81-L94 HydrophobicContact CD2-CD1 4.46Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 3.36Å; L92-L94 PolarHBondContact O-N 3.4Å; L94-E98 PolarHBondContact O-N 3.05Å; L94-E98 VanDerWaalsContact O-N 3.17Å
95V83.6Confident80.4Confident65 Ų6572 Ų7239%0.39438%0.38SS..Hα-helixtrans-71.4-40.8177.4173.40000111.7W80 L81 I91 L92 E93 L97 E98 Q99W80-V95 HydrophobicContact CH2-CG2 3.96Å; W80-V95 HydrophobicContact CZ3-CG2 4.36Å; L81-V95 HydrophobicContact CD1-CG2 4.43Å; L81-V95 HydrophobicContact CD2-CG2 3.94Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.47Å; I91-V95 PolarHBondContact O-N 3.01Å; L92-V95 PolarHBondContact O-N 2.86Å; E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.97Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-E98 PolarHBondContact O-N 3.39Å; V95-Q99 PolarHBondContact O-N 3.03Å
96V83.1Confident80.2Confident77 Ų7775 Ų7547%0.46739%0.385SS..Hα-helixtrans-62.4-43.6176.1167.80000110.1L92 E93 E98 Q99 F100L92-V96 WeakPolarHBondContact O-CB 3.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.29Å; E93-V96 PolarHBondContact O-N 3.08Å; V96-E98 PolarHBondContact O-N 3.46Å; V96-Q99 PolarHBondContact O-N 3.46Å; V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.33Å
97L83.7Confident79.6Confident1 Ų178.3 Ų78.31%0.00540%0.4CS..Hα-helixtrans-59.4-44.2175.6174.756.5000112.1R52 E93 V95 Q99 F100 V101 P117 A123R52-L97 VanDerWaalsContact NH2-CG 3.29Å; E93-L97 VanDerWaalsContact O-CB 3.3Å; E93-L97 WeakPolarHBondContact O-CB 3.3Å; E93-L97 PolarHBondContact O-N 2.75Å; V95-L97 VanDerWaalsContact C-N 3.32Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.41Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 3.09Å; L97-V101 HydrophobicContact CD1-CG2 4.11Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 3.46Å; L97-P117 HydrophobicContact CD1-CB 4.41Å; L97-P117 HydrophobicContact CD1-CG 4.01Å; L97-P117 HydrophobicContact CD2-CB 4.37Å; L97-P117 HydrophobicContact CD2-CG 4.3Å; L97-P117 WeakPolarHBondContact CD2-O 3.35Å; L97-A123 HydrophobicContact CD1-CB 3.49Å; L97-A123 VanDerWaalsContact CD1-CB 3.49Å
98E82.8Confident78.8Confident25 Ų2577.6 Ų77.612%0.11739%0.393CS..Hα-helixtrans-62.1-42.3174.9-78.8-54.411200112.6R52 R56 W80 L94 V95 V96 F100 V101 A102R52-E98 WeakPolarHBondContact CD-OE1 2.95Å; R52-E98 WeakPolarHBondContact CG-OE1 3.13Å; R52-E98 IonicContact CZ-OE1 3.49Å; R52-E98 VanDerWaalsContact CZ-OE1 3.24Å; R52-E98 IonicContact NE-OE1 2.78Å; R52-E98 PolarHBondContact NE-OE1 3.06Å; R52-E98 IonicContact NH2-OE1 3.65Å; R52-E98 PolarHBondContact NH2-OE1 3.23Å; R56-E98 IonicContact CZ-OE1 3.55Å; R56-E98 IonicContact CZ-OE2 2.66Å; R56-E98 IonicContact NE-OE1 3.88Å; R56-E98 PolarHBondContact NE-OE1 3.11Å; R56-E98 IonicContact NE-OE2 2.96Å; R56-E98 PolarHBondContact NE-OE2 3.38Å; R56-E98 IonicContact NH2-OE1 3.63Å; R56-E98 PolarHBondContact NH2-OE1 3.08Å; R56-E98 IonicContact NH2-OE2 3.35Å; W80-E98 HydrophobicContact CH2-CB 4.27Å; W80-E98 HydrophobicContact CH2-CG 3.56Å; W80-E98 HydrophobicContact CZ2-CB 4.44Å; W80-E98 HydrophobicContact CZ2-CG 3.38Å; L94-E98 PolarHBondContact O-N 3.05Å; L94-E98 VanDerWaalsContact O-N 3.17Å; V95-E98 PolarHBondContact O-N 3.39Å; V96-E98 PolarHBondContact O-N 3.46Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 2.92Å; E98-V101 PolarHBondContact O-N 3.44Å; E98-A102 WeakPolarHBondContact O-CB 3.47Å; E98-A102 PolarHBondContact O-N 3.37Å
99Q82.8Confident78.4Confident122 Ų12271.7 Ų71.757%0.5737%0.368SS*.Hα-helixtrans-66.8-32.4178.2-173.455.97700111.9V95 V96 L97V95-Q99 PolarHBondContact O-N 3.03Å; V96-Q99 PolarHBondContact O-N 3.46Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.41Å
100F78.4Confident77.9Confident50 Ų5069 Ų6922%0.21936%0.36CS..Hα-helixtrans-68.9-48.2175.1-178.8-98.2000111.7V96 L97 E98 A102 I103 L104 A123 V124 L127V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.33Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 3.09Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 2.92Å; F100-A102 VanDerWaalsContact C-N 3.26Å; F100-A102 PolarHBondContact O-N 3.41Å; F100-I103 HydrophobicContact CD2-CD1 4.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 2.93Å; F100-L104 HydrophobicContact CD1-CD1 4.49Å; F100-L104 HydrophobicContact CE1-CD1 4.17Å; F100-L104 HydrophobicContact CZ-CD2 4.47Å; F100-A123 HydrophobicContact CD1-CB 3.9Å; F100-A123 HydrophobicContact CE1-CB 3.84Å; F100-V124 HydrophobicContact CE1-CG2 4.35Å; F100-V124 HydrophobicContact CE2-CG2 4.08Å; F100-V124 HydrophobicContact CZ-CG2 3.7Å; F100-L127 HydrophobicContact CE1-CD1 3.72Å; F100-L127 HydrophobicContact CZ-CD1 3.68Å
101V78.1Confident77.6Confident9 Ų967.2 Ų67.26%0.05535%0.35CS..Hα-helixtrans-61.2-37.7176.5175.70000110.9L97 E98 I103 L104 Q109 V112 R113L97-V101 HydrophobicContact CD1-CG2 4.11Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 3.46Å; E98-V101 PolarHBondContact O-N 3.44Å; V101-I103 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 3.17Å; V101-Q109 HydrophobicContact CG1-CB 4.5Å; V101-Q109 HydrophobicContact CG1-CG 4.48Å; V101-Q109 VanDerWaalsContact O-CG 3.31Å; V101-Q109 WeakPolarHBondContact O-CG 3.32Å; V101-V112 HydrophobicContact CG2-CG1 4Å; V101-R113 HydrophobicContact CG1-CG 4.29Å
102A77.4Confident77.2Confident64 Ų6465.6 Ų65.653%0.52934%0.342SS..Hα-helixtrans-63.8-23.1-179.100000114.9E98 F100E98-A102 WeakPolarHBondContact O-CB 3.47Å; E98-A102 PolarHBondContact O-N 3.37Å; F100-A102 VanDerWaalsContact C-N 3.26Å; F100-A102 PolarHBondContact O-N 3.41Å
103I75.5Confident76.8Confident121 Ų12164.3 Ų64.362%0.62133%0.329SS*.Hα-helixtrans-91.6-10.7-178.959.2163.4000113.7F100 V101F100-I103 HydrophobicContact CD2-CD1 4.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 2.93Å; V101-I103 PolarHBondContact O-N 2.84Å
104L72.2Confident76.3Confident25 Ų2565.4 Ų65.413%0.13134%0.338CS..SBendtrans-73.9152.4-179.9-63174.2000111.8F100 V101 L108 Q109 V112 L127F100-L104 HydrophobicContact CD1-CD1 4.49Å; F100-L104 HydrophobicContact CE1-CD1 4.17Å; F100-L104 HydrophobicContact CZ-CD2 4.47Å; V101-L104 PolarHBondContact O-N 3.17Å; L104-L108 HydrophobicContact CB-CB 4.29Å; L104-Q109 HydrophobicContact CB-CG 3.81Å; L104-Q109 WeakPolarHBondContact O-CG 3.49Å; L104-Q109 PolarHBondContact O-NE2 3.26Å; L104-V112 HydrophobicContact CD1-CB 4.32Å; L104-V112 HydrophobicContact CD1-CG2 3.78Å; L104-L127 HydrophobicContact CD1-CD1 4.01Å; L104-L127 HydrophobicContact CD2-CD1 3.86Å
105P73Confident75.9Confident73 Ų7368.8 Ų68.847%0.47435%0.353SS..  trans-55147.1165.6-23.533.2000111.8E107 L108 Q109P105-E107 PolarHBondContact O-N 3.43Å; P105-E107 VanDerWaalsContact O-N 3.08Å; P105-L108 HydrophobicContact CG-CD1 4.32Å; P105-L108 PolarHBondContact O-N 3.11Å; P105-Q109 WeakPolarHBondContact O-CG 3.38Å; P105-Q109 PolarHBondContact O-N 3.13Å
106K67.4Low75.4Confident163 Ų16370.9 Ų70.971%0.70936%0.358SS*.Hα-helixtrans-55.3-34.9-171.7-73.2-176.6178.5179.40113.3Q109 T110K106-Q109 PolarHBondContact O-N 3.22Å; K106-T110 PolarHBondContact O-N 3.4Å; K106-T110 PolarHBondContact O-OG1 2.97Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å
107E67.4Low75.1Confident130 Ų13067.6 Ų67.661%0.60734%0.338SS*.Hα-helixtrans-65.6-40.7179-58.875-164.800111.7P105 T110 W111P105-E107 PolarHBondContact O-N 3.43Å; P105-E107 VanDerWaalsContact O-N 3.08Å; E107-T110 PolarHBondContact O-OG1 3.23Å; E107-W111 PolarHBondContact O-N 3.16Å
108L71.3Confident74.5Confident57 Ų5774.5 Ų74.530%0.29837%0.371SS..Hα-helixtrans-79.3-30.9177-65.3-177.4000111.8L104 P105 T110 W111 V112 L127 L130L104-L108 HydrophobicContact CB-CB 4.29Å; P105-L108 HydrophobicContact CG-CD1 4.32Å; P105-L108 PolarHBondContact O-N 3.11Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-T110 PolarHBondContact O-N 3.27Å; L108-W111 PolarHBondContact O-N 3.46Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 2.91Å; L108-L127 HydrophobicContact CB-CD2 4.35Å; L108-L127 HydrophobicContact CD1-CD2 4.33Å; L108-L127 HydrophobicContact CD2-CD2 4.34Å; L108-L130 HydrophobicContact CD2-CD2 3.41Å; L108-L130 VanDerWaalsContact CD2-CD2 3.41Å
109Q73.3Confident74.2Confident39 Ų3975.8 Ų75.818%0.18238%0.378CS..Hα-helixtrans-60.1-44.9174-67.8-176.46.700111.9V101 L104 P105 K106 W111 R113V101-Q109 HydrophobicContact CG1-CB 4.5Å; V101-Q109 HydrophobicContact CG1-CG 4.48Å; V101-Q109 VanDerWaalsContact O-CG 3.31Å; V101-Q109 WeakPolarHBondContact O-CG 3.32Å; L104-Q109 HydrophobicContact CB-CG 3.81Å; L104-Q109 WeakPolarHBondContact O-CG 3.49Å; L104-Q109 PolarHBondContact O-NE2 3.26Å; P105-Q109 WeakPolarHBondContact O-CG 3.38Å; P105-Q109 PolarHBondContact O-N 3.13Å; K106-Q109 PolarHBondContact O-N 3.22Å; Q109-W111 VanDerWaalsContact C-N 3.32Å; Q109-R113 VanDerWaalsContact O-CB 3.28Å; Q109-R113 WeakPolarHBondContact O-CB 3.41Å; Q109-R113 WeakPolarHBondContact O-CG 3.36Å; Q109-R113 PolarHBondContact O-N 3.01Å; Q109-R113 PolarHBondContact O-NE 3.34Å
110T72.1Confident73.7Confident71 Ų7170.5 Ų70.544%0.43636%0.356SS..Hα-helixtrans-61.1-44.3176.228.80000111.1K106 E107 L108 R113 D114K106-T110 PolarHBondContact O-N 3.4Å; K106-T110 PolarHBondContact O-OG1 2.97Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å; E107-T110 PolarHBondContact O-OG1 3.23Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-T110 PolarHBondContact O-N 3.27Å; T110-R113 WeakPolarHBondContact O-CB 3.47Å; T110-R113 PolarHBondContact O-N 2.82Å; T110-D114 VanDerWaalsContact O-CG 3.25Å; T110-D114 PolarHBondContact O-N 3.25Å
111W73.3Confident73.7Confident56 Ų5675.5 Ų75.521%0.21238%0.381CS..Hα-helixtrans-65.4-48.7-178.6-170.681.2000112.7E107 L108 Q109 R113 D114 H115 V126 L127 L130E107-W111 PolarHBondContact O-N 3.16Å; L108-W111 PolarHBondContact O-N 3.46Å; Q109-W111 VanDerWaalsContact C-N 3.32Å; W111-R113 PolarHBondContact O-N 2.91Å; W111-D114 PolarHBondContact O-N 3.02Å; W111-D114 VanDerWaalsContact O-N 3.16Å; W111-H115 AromaticContact CE2-CD2 3.81Å; W111-H115 AromaticContact CE2-NE2 3.62Å; W111-H115 AromaticContact CZ2-CD2 3.84Å; W111-H115 AromaticContact CZ2-NE2 3.5Å; W111-H115 WeakPolarHBondContact CZ2-NE2 3.47Å; W111-H115 AromaticContact NE1-NE2 3.71Å; W111-H115 PolarHBondContact O-CD2 2.93Å; W111-H115 PolarHBondContact O-N 3.4Å; W111-V126 HydrophobicContact CE3-CG1 3.79Å; W111-V126 VanDerWaalsContact CH2-C 3.44Å; W111-V126 HydrophobicContact CH2-CB 4.17Å; W111-V126 HydrophobicContact CH2-CG1 3.35Å; W111-V126 WeakPolarHBondContact CH2-O 3.48Å; W111-V126 HydrophobicContact CZ2-CG1 4.39Å; W111-V126 HydrophobicContact CZ3-CB 4.02Å; W111-V126 HydrophobicContact CZ3-CG1 3.04Å; W111-V126 WeakPolarHBondContact CZ3-O 3.4Å; W111-L127 HydrophobicContact CE3-CD2 4.32Å; W111-L127 HydrophobicContact CZ3-CD2 4.37Å; W111-L130 HydrophobicContact CD2-CB 4.5Å; W111-L130 HydrophobicContact CD2-CD1 4.38Å; W111-L130 HydrophobicContact CD2-CD2 3.91Å; W111-L130 HydrophobicContact CE3-CB 4.21Å; W111-L130 HydrophobicContact CE3-CD2 3.81Å; W111-L130 HydrophobicContact CG-CD2 4.41Å; W111-L130 HydrophobicContact CH2-CB 3.6Å; W111-L130 HydrophobicContact CZ2-CB 3.88Å; W111-L130 HydrophobicContact CZ2-CD1 4.19Å; W111-L130 HydrophobicContact CZ2-CG 4.48Å; W111-L130 HydrophobicContact CZ3-CB 3.69Å; W111-L130 HydrophobicContact CZ3-CD2 4.14Å; W111-L130 HydrophobicContact CZ3-CG 4.46Å
112V75.7Confident73.8Confident1 Ų178.5 Ų78.51%0.00639%0.394CS..Hα-helixtrans-61.8-33.1175.1175.30000111.7V101 L104 L108 H115 P117 A123 V126 L127V101-V112 HydrophobicContact CG2-CG1 4Å; L104-V112 HydrophobicContact CD1-CB 4.32Å; L104-V112 HydrophobicContact CD1-CG2 3.78Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 2.91Å; V112-H115 PolarHBondContact O-N 2.98Å; V112-P117 HydrophobicContact CG1-CG 3.92Å; V112-P117 WeakPolarHBondContact O-CD 3.42Å; V112-A123 HydrophobicContact CG1-CB 4.08Å; V112-V126 HydrophobicContact CG2-CG1 4.35Å; V112-L127 HydrophobicContact CG2-CD1 4.28Å; V112-L127 HydrophobicContact CG2-CD2 3.55Å; V112-L127 HydrophobicContact CG2-CG 3.76Å
113R74.7Confident73.8Confident82 Ų8275.4 Ų75.431%0.30937%0.369SS..Hα-helixtrans-68.7-38.2176-80.5177.1-72.4-171.2-3.1112.7V101 Q109 T110 W111 H115 H116V101-R113 HydrophobicContact CG1-CG 4.29Å; Q109-R113 VanDerWaalsContact O-CB 3.28Å; Q109-R113 WeakPolarHBondContact O-CB 3.41Å; Q109-R113 WeakPolarHBondContact O-CG 3.36Å; Q109-R113 PolarHBondContact O-N 3.01Å; Q109-R113 PolarHBondContact O-NE 3.34Å; T110-R113 WeakPolarHBondContact O-CB 3.47Å; T110-R113 PolarHBondContact O-N 2.82Å; W111-R113 PolarHBondContact O-N 2.91Å; R113-H115 PolarHBondContact O-N 3.09Å; R113-H116 PolarHBondContact O-N 3.22Å; R113-H116 PolarHBondContact O-ND1 3.06Å
114D73.5Confident73.9Confident115 Ų11572 Ų7262%0.61535%0.354SS*.Hα-helixtrans-65.8-25.1179.3-67.1-20000112.2T110 W111 H116T110-D114 VanDerWaalsContact O-CG 3.25Å; T110-D114 PolarHBondContact O-N 3.25Å; W111-D114 PolarHBondContact O-N 3.02Å; W111-D114 VanDerWaalsContact O-N 3.16Å; D114-H116 PolarHBondContact O-CE1 3.2Å; D114-H116 PolarHBondContact O-ND1 3.11Å
115H74.3Confident74.3Confident99 Ų9973.5 Ų73.546%0.45836%0.364SS..THydrogen-bonded Turntrans-90.2-1.8178.5-77.6-95.4000114.8W111 V112 R113 V126W111-H115 AromaticContact CE2-CD2 3.81Å; W111-H115 AromaticContact CE2-NE2 3.62Å; W111-H115 AromaticContact CZ2-CD2 3.84Å; W111-H115 AromaticContact CZ2-NE2 3.5Å; W111-H115 WeakPolarHBondContact CZ2-NE2 3.47Å; W111-H115 AromaticContact NE1-NE2 3.71Å; W111-H115 PolarHBondContact O-CD2 2.93Å; W111-H115 PolarHBondContact O-N 3.4Å; V112-H115 PolarHBondContact O-N 2.98Å; R113-H115 PolarHBondContact O-N 3.09Å; H115-V126 HydrophobicContact CB-CG1 3.75Å; H115-V126 HydrophobicContact CB-CG2 4.09Å
116H74.3Confident74.7Confident109 Ų10970.7 Ų70.751%0.50535%0.345SS..  trans48.452.8170.8-59.476.8000116.2R113 D114R113-H116 PolarHBondContact O-N 3.22Å; R113-H116 PolarHBondContact O-ND1 3.06Å; D114-H116 PolarHBondContact O-CE1 3.2Å; D114-H116 PolarHBondContact O-ND1 3.11Å
117P75.8Confident75.1Confident7 Ų764.5 Ų64.55%0.04532%0.319CS..  trans-64.4141.2179.727.9-35.7000111.9R52 L97 V112 E122 A123R52-P117 PolarHBondContact NH1-O 3.31Å; L97-P117 HydrophobicContact CD1-CB 4.41Å; L97-P117 HydrophobicContact CD1-CG 4.01Å; L97-P117 HydrophobicContact CD2-CB 4.37Å; L97-P117 HydrophobicContact CD2-CG 4.3Å; L97-P117 WeakPolarHBondContact CD2-O 3.35Å; V112-P117 HydrophobicContact CG1-CG 3.92Å; V112-P117 WeakPolarHBondContact O-CD 3.42Å; P117-E122 HydrophobicContact CB-CB 4.05Å; P117-E122 HydrophobicContact CB-CG 3.97Å; P117-A123 HydrophobicContact CB-CB 3.96Å; P117-A123 HydrophobicContact CG-CB 3.88Å
118E71.6Confident75.5Confident147 Ų14763.2 Ų63.269%0.68731%0.314SS*.SBendtrans-86.7-24.7178.3-62.8-168.8164.800112.2E122E118-E122 WeakPolarHBondContact CB-OE2 3.44Å; E118-E122 PolarHBondContact N-OE2 3.45Å
119N76.6Confident75.8Confident51 Ų5165.2 Ų65.227%0.27332%0.324SS..SBendtrans-144.8172.5-179.76364.2000112.8E93 E121 E122 A123E93-N119 HydrophobicContact CB-CB 4.48Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.94Å; N119-E121 WeakPolarHBondContact OD1-CB 3.43Å; N119-E121 PolarHBondContact OD1-N 3.11Å; N119-E122 PolarHBondContact O-N 3.28Å; N119-E122 PolarHBondContact OD1-N 3.26Å; N119-A123 PolarHBondContact O-N 2.83Å
120G72.3Confident75.7Confident11 Ų1164.9 Ų64.911%0.11332%0.324CS..Hα-helixtrans-66.2-32.1-177.400000114.1A123 V124G120-A123 PolarHBondContact O-N 2.74Å; G120-V124 WeakPolarHBondContact O-CG2 3.25Å; G120-V124 PolarHBondContact O-N 2.75Å
121E77.3Confident75.2Confident156 Ų15667.3 Ų67.373%0.72933%0.33SS*.Hα-helixtrans-67.7-44178.6-172173-177.200110.7N119 A123 V124 T125N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.94Å; N119-E121 WeakPolarHBondContact OD1-CB 3.43Å; N119-E121 PolarHBondContact OD1-N 3.11Å; E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 3.34Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-V124 VanDerWaalsContact O-N 3.07Å; E121-T125 PolarHBondContact O-N 3.24Å
122E80Confident74.8Confident71 Ų7168.4 Ų68.433%0.33235%0.346SS..Hα-helixtrans-64.1-35.5175.5-171.4174.8-16400112.5P117 E118 N119 V124 T125 V126P117-E122 HydrophobicContact CB-CB 4.05Å; P117-E122 HydrophobicContact CB-CG 3.97Å; E118-E122 WeakPolarHBondContact CB-OE2 3.44Å; E118-E122 PolarHBondContact N-OE2 3.45Å; N119-E122 PolarHBondContact O-N 3.28Å; N119-E122 PolarHBondContact OD1-N 3.26Å; E122-V124 VanDerWaalsContact C-N 3.27Å; E122-V124 PolarHBondContact O-N 3.49Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 3.06Å; E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 WeakPolarHBondContact O-CG2 3.25Å; E122-V126 PolarHBondContact O-N 3.22Å
123A78.5Confident74Confident0 Ų074.8 Ų74.80%038%0.376CS..Hα-helixtrans-66.4-30.7173.600000112.7L97 F100 V112 P117 N119 G120 E121 L127L97-A123 HydrophobicContact CD1-CB 3.49Å; L97-A123 VanDerWaalsContact CD1-CB 3.49Å; F100-A123 HydrophobicContact CD1-CB 3.9Å; F100-A123 HydrophobicContact CE1-CB 3.84Å; V112-A123 HydrophobicContact CG1-CB 4.08Å; P117-A123 HydrophobicContact CB-CB 3.96Å; P117-A123 HydrophobicContact CG-CB 3.88Å; N119-A123 PolarHBondContact O-N 2.83Å; G120-A123 PolarHBondContact O-N 2.74Å; E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 3.34Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å
124V76.9Confident73Confident50 Ų5076.3 Ų76.330%0.30339%0.39SS..Hα-helixtrans-73.9-44.81751720000110.5F100 G120 E121 E122 V126 L127 E128F100-V124 HydrophobicContact CE1-CG2 4.35Å; F100-V124 HydrophobicContact CE2-CG2 4.08Å; F100-V124 HydrophobicContact CZ-CG2 3.7Å; G120-V124 WeakPolarHBondContact O-CG2 3.25Å; G120-V124 PolarHBondContact O-N 2.75Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-V124 VanDerWaalsContact O-N 3.07Å; E122-V124 VanDerWaalsContact C-N 3.27Å; E122-V124 PolarHBondContact O-N 3.49Å; V124-V126 VanDerWaalsContact C-N 3.27Å; V124-V126 PolarHBondContact O-N 3.08Å; V124-L127 CarbonylContact O-C 3.58Å; V124-L127 WeakPolarHBondContact O-CA 3.36Å; V124-L127 WeakPolarHBondContact O-CB 3.35Å; V124-L127 PolarHBondContact O-N 3.44Å; V124-E128 HydrophobicContact CG1-CG 4.19Å; V124-E128 WeakPolarHBondContact O-CG 3.45Å; V124-E128 PolarHBondContact O-N 3.36Å
125T80.8Confident71.7Confident56 Ų5676.7 Ų76.734%0.34439%0.392SS..Hα-helixtrans-61-39.8177.2570000111.6E121 E122 L127 E128 D129E121-T125 PolarHBondContact O-N 3.24Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 3.06Å; T125-L127 PolarHBondContact O-N 2.88Å; T125-E128 PolarHBondContact O-N 2.81Å; T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.24Å; T125-D129 PolarHBondContact O-N 3.43Å
126V81Confident70.4Confident14 Ų1476.2 Ų76.29%0.08539%0.393CS..Hα-helixtrans-55.4-52.4171.5164.80000108.5W111 V112 H115 E122 V124 E128 D129 L130W111-V126 HydrophobicContact CE3-CG1 3.79Å; W111-V126 VanDerWaalsContact CH2-C 3.44Å; W111-V126 HydrophobicContact CH2-CB 4.17Å; W111-V126 HydrophobicContact CH2-CG1 3.35Å; W111-V126 WeakPolarHBondContact CH2-O 3.48Å; W111-V126 HydrophobicContact CZ2-CG1 4.39Å; W111-V126 HydrophobicContact CZ3-CB 4.02Å; W111-V126 HydrophobicContact CZ3-CG1 3.04Å; W111-V126 WeakPolarHBondContact CZ3-O 3.4Å; V112-V126 HydrophobicContact CG2-CG1 4.35Å; H115-V126 HydrophobicContact CB-CG1 3.75Å; H115-V126 HydrophobicContact CB-CG2 4.09Å; E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 WeakPolarHBondContact O-CG2 3.25Å; E122-V126 PolarHBondContact O-N 3.22Å; V124-V126 VanDerWaalsContact C-N 3.27Å; V124-V126 PolarHBondContact O-N 3.08Å; V126-E128 PolarHBondContact O-N 2.87Å; V126-D129 WeakPolarHBondContact O-CB 3.5Å; V126-D129 PolarHBondContact O-N 3.15Å; V126-L130 PolarHBondContact O-N 3.34Å; V126-L130 VanDerWaalsContact O-N 3.08Å
127L75.8Confident69.2Low32 Ų3277.2 Ų77.217%0.16841%0.409CS..Hα-helixtrans-63-35.6178.1-70.7169.1000114.8F100 L104 L108 W111 V112 A123 V124 T125 L130 E131F100-L127 HydrophobicContact CE1-CD1 3.72Å; F100-L127 HydrophobicContact CZ-CD1 3.68Å; L104-L127 HydrophobicContact CD1-CD1 4.01Å; L104-L127 HydrophobicContact CD2-CD1 3.86Å; L108-L127 HydrophobicContact CB-CD2 4.35Å; L108-L127 HydrophobicContact CD1-CD2 4.33Å; L108-L127 HydrophobicContact CD2-CD2 4.34Å; W111-L127 HydrophobicContact CE3-CD2 4.32Å; W111-L127 HydrophobicContact CZ3-CD2 4.37Å; V112-L127 HydrophobicContact CG2-CD1 4.28Å; V112-L127 HydrophobicContact CG2-CD2 3.55Å; V112-L127 HydrophobicContact CG2-CG 3.76Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å; V124-L127 CarbonylContact O-C 3.58Å; V124-L127 WeakPolarHBondContact O-CA 3.36Å; V124-L127 WeakPolarHBondContact O-CB 3.35Å; V124-L127 PolarHBondContact O-N 3.44Å; T125-L127 PolarHBondContact O-N 2.88Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-E131 PolarHBondContact O-N 3.09Å
128E76.4Confident68.3Low104 Ų10479.8 Ų79.849%0.48644%0.436SS..Hα-helixtrans-68.9-35.3176.1-70.7176.516500112V124 T125 V126 E131 S132V124-E128 HydrophobicContact CG1-CG 4.19Å; V124-E128 WeakPolarHBondContact O-CG 3.45Å; V124-E128 PolarHBondContact O-N 3.36Å; T125-E128 PolarHBondContact O-N 2.81Å; V126-E128 PolarHBondContact O-N 2.87Å; E128-E131 PolarHBondContact O-N 3.44Å; E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.42Å; E128-S132 PolarHBondContact O-OG 3.28Å
129D77.3Confident66.7Low98 Ų9880.7 Ų80.752%0.52444%0.441SS..Hα-helixtrans-64.8-41.6172.9-73.2-22.6000110.5T125 V126 E131 S132 E133T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.24Å; T125-D129 PolarHBondContact O-N 3.43Å; V126-D129 WeakPolarHBondContact O-CB 3.5Å; V126-D129 PolarHBondContact O-N 3.15Å; D129-E131 VanDerWaalsContact C-N 3.35Å; D129-E131 PolarHBondContact O-N 3.32Å; D129-S132 PolarHBondContact O-N 2.67Å; D129-E133 WeakPolarHBondContact O-CG 3.45Å; D129-E133 PolarHBondContact O-N 3.28Å
130L71.4Confident64.8Low33 Ų3383.3 Ų83.317%0.17346%0.461CS..Hα-helixtrans-62.3-40.8173.6-179.365.9000112.3L108 W111 V126 L127 E133 L134L108-L130 HydrophobicContact CD2-CD2 3.41Å; L108-L130 VanDerWaalsContact CD2-CD2 3.41Å; W111-L130 HydrophobicContact CD2-CB 4.5Å; W111-L130 HydrophobicContact CD2-CD1 4.38Å; W111-L130 HydrophobicContact CD2-CD2 3.91Å; W111-L130 HydrophobicContact CE3-CB 4.21Å; W111-L130 HydrophobicContact CE3-CD2 3.81Å; W111-L130 HydrophobicContact CG-CD2 4.41Å; W111-L130 HydrophobicContact CH2-CB 3.6Å; W111-L130 HydrophobicContact CZ2-CB 3.88Å; W111-L130 HydrophobicContact CZ2-CD1 4.19Å; W111-L130 HydrophobicContact CZ2-CG 4.48Å; W111-L130 HydrophobicContact CZ3-CB 3.69Å; W111-L130 HydrophobicContact CZ3-CD2 4.14Å; W111-L130 HydrophobicContact CZ3-CG 4.46Å; V126-L130 PolarHBondContact O-N 3.34Å; V126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-E133 PolarHBondContact O-N 3.42Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.22Å
131E62.7Low63.5Low122 Ų12288.7 Ų88.757%0.5749%0.491SS*.Hα-helixtrans-65.8-41.9177-169.3166.4-150.900111L127 E128 D129 E133 L134 D135L127-E131 PolarHBondContact O-N 3.09Å; E128-E131 PolarHBondContact O-N 3.44Å; D129-E131 VanDerWaalsContact C-N 3.35Å; D129-E131 PolarHBondContact O-N 3.32Å; E131-E133 PolarHBondContact O-N 3.09Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.45Å; E131-L134 VanDerWaalsContact O-N 3.11Å; E131-D135 PolarHBondContact O-N 3.4Å
132S63.3Low61.5Low78 Ų7886.3 Ų86.355%0.54549%0.491SS..Hα-helixtrans-65.3-35.2176.5-58.70000112.9E128 D129 L134 D135 D136E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.42Å; E128-S132 PolarHBondContact O-OG 3.28Å; D129-S132 PolarHBondContact O-N 2.67Å; S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 3Å; S132-D135 PolarHBondContact O-N 2.97Å; S132-D136 PolarHBondContact O-N 3.12Å
133E59Low59.6Low135 Ų13590.1 Ų90.163%0.63151%0.513SS*.Hα-helixtrans-66.4-26.3173.5-78-172.3170.800113.1D129 L130 E131 R144D129-E133 WeakPolarHBondContact O-CG 3.45Å; D129-E133 PolarHBondContact O-N 3.28Å; L130-E133 PolarHBondContact O-N 3.42Å; E131-E133 PolarHBondContact O-N 3.09Å; E133-R144 PolarHBondContact O-NH2 3.27Å; E133-R144 VanDerWaalsContact O-NH2 3.15Å
134L54Low58Low115 Ų11597.3 Ų97.360%0.60254%0.54SS*.Hα-helixtrans-78.4-31.1176.9-66.3169.5000112L130 E131 S132 R144L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.22Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.45Å; E131-L134 VanDerWaalsContact O-N 3.11Å; S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 3Å; L134-R144 PolarHBondContact O-NH1 3.46Å; L134-R144 VanDerWaalsContact O-NH1 3.15Å
135D47.1Very low56.3Low123 Ų123103.2 Ų103.266%0.65856%0.557SS**Hα-helixtrans-95.10.4-172.3-77.7-34.1000116E131 S132 P137E131-D135 PolarHBondContact O-N 3.4Å; S132-D135 PolarHBondContact O-N 2.97Å; D135-P137 VanDerWaalsContact O-CD 3.3Å; D135-P137 WeakPolarHBondContact O-CD 3.42Å
136D46.8Very low54.3Low88 Ų88110.2 Ų110.247%0.47158%0.577SS.*  trans-70.8122.6178.3-17561.8000113.7S132 G138S132-D136 PolarHBondContact O-N 3.12Å; D136-G138 PolarHBondContact O-N 3.3Å; D136-G138 PolarHBondContact OD2-N 3.48Å; D136-G138 VanDerWaalsContact OD2-N 3.12Å
137P48.8Very low52.4Low131 Ų131119.6 Ų119.685%0.85162%0.617SS**  trans-89.217-178.234-32.2000114.9D135D135-P137 VanDerWaalsContact O-CD 3.3Å; D135-P137 WeakPolarHBondContact O-CD 3.42Å
138G56.2Low50.7Low60 Ų60128.4 Ų128.462%0.61965%0.648SS**SBendtrans-111.6-4.1-162.700000120.2D136D136-G138 PolarHBondContact O-N 3.3Å; D136-G138 PolarHBondContact OD2-N 3.48Å; D136-G138 VanDerWaalsContact OD2-N 3.12Å
139Q38.6Very low49.1Very low167 Ų167126.8 Ų126.878%0.7864%0.64SS**SBendtrans-135.4153-177.8-101-178.9-42.500115.2
140P36.4Very low47.5Very low106 Ų106126.1 Ų126.169%0.68864%0.64SS**  trans-72.6140.2-159.926.8-32.6000115.6S142P140-S142 PolarHBondContact O-N 3.06Å
141V44.2Very low46.3Very low123 Ų123131.6 Ų131.675%0.74567%0.668SS**THydrogen-bonded Turntrans-66.710.9-167.9173.30000116.4
142S35.4Very low45.4Very low106 Ų106130.2 Ų130.274%0.74167%0.668SS**THydrogen-bonded Turntrans-88.6-2.2-174.151.90000116.5P140P140-S142 PolarHBondContact O-N 3.06Å
143L40.2Very low44.5Very low152 Ų152132.7 Ų132.780%0.79667%0.671SS**SBendtrans-115.6-6.6173.7-98.5145.3000113.7R145L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.41Å
144R45.4Very low43.7Very low151 Ų151132 Ų13257%0.5767%0.672SS**SBendtrans-86.624.2-179.7-75.2-170.6174.7-155.7-0.6114.5E133 L134E133-R144 PolarHBondContact O-NH2 3.27Å; E133-R144 VanDerWaalsContact O-NH2 3.15Å; L134-R144 PolarHBondContact O-NH1 3.46Å; L134-R144 VanDerWaalsContact O-NH1 3.15Å
145R41Very low43.3Very low174 Ų174133.6 Ų133.666%0.65768%0.678SS**SBendtrans-143.9-10.2172.3-125.9-176.3171.2-175.2-9.9115.8L143 E149L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.41Å; R145-E149 WeakPolarHBondContact CD-OE2 3.33Å; R145-E149 VanDerWaalsContact CG-OE2 3.24Å; R145-E149 WeakPolarHBondContact CG-OE2 3.38Å; R145-E149 IonicContact CZ-OE1 3.99Å; R145-E149 IonicContact CZ-OE2 3.14Å; R145-E149 IonicContact NE-OE1 2.86Å; R145-E149 PolarHBondContact NE-OE1 3.07Å; R145-E149 IonicContact NE-OE2 2.79Å; R145-E149 PolarHBondContact NE-OE2 3.24Å; R145-E149 IonicContact NH2-OE1 3.58Å; R145-E149 PolarHBondContact NH2-OE1 3.2Å; R145-E149 IonicContact NH2-OE2 2.79Å
146R39.7Very low43.4Very low203 Ų203132.1 Ų132.177%0.76667%0.673SS**THydrogen-bonded Turntrans-93.80.7-172.6-141.4177-169.8-173.82.3116.3V150R146-V150 HydrophobicContact CG-CG2 4.13Å
147K40.6Very low43.2Very low210 Ų210132.1 Ų132.191%0.91368%0.68SS**THydrogen-bonded Turntrans-112.71.4174.6-126178-177.8-1780114.8
148R40.4Very low43.1Very low217 Ų217134.1 Ų134.182%0.81968%0.678SS**THydrogen-bonded Turntrans-125-14.8174.1-120.3179-176.9-176.81.4115.2V152R148-V152 WeakPolarHBondContact O-CG2 3.3Å
149E42.5Very low42.7Very low71 Ų71139.8 Ų139.833%0.33269%0.688SS.*SBendtrans-100.3-14175.9-79.6171.617800114.7R145 L151R145-E149 WeakPolarHBondContact CD-OE2 3.33Å; R145-E149 VanDerWaalsContact CG-OE2 3.24Å; R145-E149 WeakPolarHBondContact CG-OE2 3.38Å; R145-E149 IonicContact CZ-OE1 3.99Å; R145-E149 IonicContact CZ-OE2 3.14Å; R145-E149 IonicContact NE-OE1 2.86Å; R145-E149 PolarHBondContact NE-OE1 3.07Å; R145-E149 IonicContact NE-OE2 2.79Å; R145-E149 PolarHBondContact NE-OE2 3.24Å; R145-E149 IonicContact NH2-OE1 3.58Å; R145-E149 PolarHBondContact NH2-OE1 3.2Å; R145-E149 IonicContact NH2-OE2 2.79Å; E149-L151 PolarHBondContact O-N 3.46Å
150V44Very low42.8Very low84 Ų84139.7 Ų139.751%0.50969%0.688SS.*THydrogen-bonded Turntrans-79.9-12177179.80000113.7R146R146-V150 HydrophobicContact CG-CG2 4.13Å
151L46.1Very low43.1Very low148 Ų148139 Ų13978%0.77569%0.691SS**THydrogen-bonded Turntrans-103.2-3179.2-144.481.7000114.7E149E149-L151 PolarHBondContact O-N 3.46Å
152V44.4Very low42.9Very low93 Ų93142 Ų14256%0.56470%0.696SS**THydrogen-bonded Turntrans-116.8-25.3-178.6-122.70000113R148R148-V152 WeakPolarHBondContact O-CG2 3.3Å
153E44.5Very low43.3Very low130 Ų130140 Ų14061%0.60769%0.694SS**SBendtrans-84.6-21.4176.8-68-172.4153.200113.8S157E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 2.85Å; E153-S157 PolarHBondContact O-OG 3.31Å
154D41.5Very low42.9Very low120 Ų120141.1 Ų141.164%0.64270%0.699SS**THydrogen-bonded Turntrans-77.7-17.8172.9-87.4-11000113.3
155M46.4Very low42.5Very low149 Ų149138.6 Ų138.673%0.73470%0.703SS**THydrogen-bonded Turntrans-90.1-14.8175.6-74.1-178.166.300113.8
156V47.5Very low42.6Very low92 Ų92134.9 Ų134.956%0.55870%0.703SS**THydrogen-bonded Turntrans-109.1-18.5-179.3177.40000112.5Q158V156-Q158 VanDerWaalsContact C-N 3.35Å; V156-Q158 PolarHBondContact O-N 3.39Å
157S44.3Very low42.8Very low88 Ų88130.2 Ų130.262%0.61570%0.702SS**THydrogen-bonded Turntrans-82.9-1179.7-55.70000115.2E153E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 2.85Å; E153-S157 PolarHBondContact O-OG 3.31Å
158Q45.8Very low43.1Very low173 Ų173127.9 Ų127.981%0.80869%0.694SS**THydrogen-bonded Turntrans-96.9-12.3177.4-81.9-168-2.800115.2V156V156-Q158 VanDerWaalsContact C-N 3.35Å; V156-Q158 PolarHBondContact O-N 3.39Å
159E47.2Very low43.4Very low178 Ų178123 Ų12383%0.83268%0.684SS**THydrogen-bonded Turntrans-109.2-13.8-177.9-75.6-166.5116.700115.4
160E40.6Very low43.4Very low166 Ų166125.1 Ų125.178%0.77670%0.697SS**SBendtrans-108.123.8-180-73.2-170.5133.900114.9Q162E160-Q162 VanDerWaalsContact C-N 3.28Å
161A43.6Very low43.4Very low90 Ų90124.4 Ų124.474%0.74470%0.7SS**SBendtrans-8711.3167.800000113.8
162Q39.4Very low43.4Very low186 Ų186121.2 Ų121.287%0.86969%0.686SS**SBendtrans-12779.2172.9-63.5-172.44.200109.3E160E160-Q162 VanDerWaalsContact C-N 3.28Å
163G44.7Very low43.4Very low66 Ų66121.6 Ų121.668%0.6868%0.682SS**  trans-73.1168.4-163.500000117.8
164L31.1Very low43.6Very low174 Ų174120.7 Ų120.791%0.91168%0.681SS**  trans-162.8159.5163.6-94.8146.7000110.1
165P36.2Very low43.6Very low99 Ų99122.2 Ų122.264%0.64369%0.685SS**  trans-100.3155-145.636.5-37000118.7S167P165-S167 VanDerWaalsContact C-N 3.29Å; P165-S167 PolarHBondContact O-N 3.46Å
166S43.2Very low43.6Very low95 Ų95120.9 Ų120.966%0.66468%0.68SS**SBendtrans-7-3.3165.4-79.40000125.2
167S45.2Very low43.5Very low106 Ų106122.2 Ų122.274%0.74168%0.678SS**SBendtrans-92.9-2.1-175.258.20000115.8P165P165-S167 VanDerWaalsContact C-N 3.29Å; P165-S167 PolarHBondContact O-N 3.46Å
168E45.9Very low43.2Very low161 Ų161127.1 Ų127.175%0.75268%0.683SS**SBendtrans-109.4-3.6173.8-67.1-166.1153.500113.9D170 A171E168-D170 VanDerWaalsContact C-N 3.34Å; E168-D170 PolarHBondContact O-N 3.19Å; E168-A171 PolarHBondContact O-N 2.83Å
169L47Very low42.8Very low115 Ų115121.8 Ų121.860%0.60267%0.669SS**Hα-helixtrans-71.9-24.7178.5-76.6169.3000113.4A171 E173L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.82Å; L169-E173 PolarHBondContact O-N 3.33Å
170D42.3Very low42.3Very low115 Ų115117.9 Ų117.962%0.61566%0.661SS**Hα-helixtrans-76.1-16.1177.1-69.4-31.8000113.3E168 N174E168-D170 VanDerWaalsContact C-N 3.34Å; E168-D170 PolarHBondContact O-N 3.19Å; D170-N174 PolarHBondContact O-ND2 3.43Å
171A43.8Very low42.1Very low68 Ų68118.8 Ų118.856%0.56266%0.658SS**Hα-helixtrans-85.6-30.1176.300000112.5E168 L169E168-A171 PolarHBondContact O-N 2.83Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.82Å
172V46.5Very low41.5Very low81 Ų81122.7 Ų122.749%0.49166%0.66SS.*Hα-helixtrans-85-33.2-179.1-177.30000111.6N174 Q175 L176V172-N174 PolarHBondContact O-N 3.02Å; V172-Q175 PolarHBondContact O-N 3.23Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 3.44Å
173E45.6Very low41.4Very low102 Ų102121.1 Ų121.148%0.47766%0.657SS.*Hα-helixtrans-66-25.5178.3-157.4-174139.200113.2L169 K177L169-E173 PolarHBondContact O-N 3.33Å; E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.2Å; E173-K177 IonicContact OE1-NZ 3.12Å; E173-K177 PolarHBondContact OE1-NZ 3.33Å
174N46.9Very low40.9Very low110 Ų110126.2 Ų126.259%0.58866%0.663SS**Hα-helixtrans-83.9-16.3177.1-82.6-38.5000114.4D170 V172D170-N174 PolarHBondContact O-ND2 3.43Å; V172-N174 PolarHBondContact O-N 3.02Å
175Q42.5Very low40.8Very low153 Ų153122.5 Ų122.572%0.71565%0.651SS**Hα-helixtrans-85-29.8171.6-90.4-179.9-16.300112.7V172 W178V172-Q175 PolarHBondContact O-N 3.23Å; Q175-W178 PolarHBondContact O-N 3.02Å
176L47Very low40.4Very low120 Ų120125.6 Ų125.663%0.62866%0.661SS**Hα-helixtrans-77.5-21.9177.2-74.6162.6000113.6V172 W178 S180V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 3.44Å; L176-W178 VanDerWaalsContact C-N 3.32Å; L176-W178 PolarHBondContact O-N 2.85Å; L176-S180 PolarHBondContact O-N 3.34Å
177K44.8Very low39.7Very low120 Ų120131.4 Ų131.452%0.52267%0.669SS.*Hα-helixtrans-72.4-20.6173.2-75.6172.5-175161.40113.7E173E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.2Å; E173-K177 IonicContact OE1-NZ 3.12Å; E173-K177 PolarHBondContact OE1-NZ 3.33Å
178W37Very low38.9Very low192 Ų192134.6 Ų134.673%0.72767%0.672SS**Hα-helixtrans-79.4-38.8173.5-121.664.3000112.2Q175 L176 S180 W181Q175-W178 PolarHBondContact O-N 3.02Å; L176-W178 VanDerWaalsContact C-N 3.32Å; L176-W178 PolarHBondContact O-N 2.85Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 3.05Å; W178-W181 PolarHBondContact O-N 3.47Å
179A38.5Very low38Very low61 Ų61131.9 Ų131.950%0.50467%0.669SS.*Hα-helixtrans-73-21.3179.600000113.7
180S36.1Very low37Very low96 Ų96133.7 Ų133.767%0.67168%0.68SS**THydrogen-bonded Turntrans-80.3-10.7173.6-172.70000114.1L176 W178L176-S180 PolarHBondContact O-N 3.34Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 3.05Å
181W37.4Very low36.1Very low185 Ų185134.8 Ų134.870%0.70169%0.686SS**THydrogen-bonded Turntrans-91.5-20.8179.4-168.517.5000113.2W178W178-W181 PolarHBondContact O-N 3.47Å
182E30.1Very low35.5Very low171 Ų171138.8 Ų138.880%0.79970%0.698SS**THydrogen-bonded Turntrans-85.9-7.7-174.7-149.7157.2-16100114
183L37.6Very low34.5Very low154 Ų154138.2 Ų138.281%0.80671%0.708SS**THydrogen-bonded Turntrans-1033-179.3-91162.8000115.2
184H35.3Very low33.6Very low173 Ų173144.4 Ų144.480%0.80173%0.727SS**  trans-151.558.1-177.3-143.5-111.4000116.5
185S28.8Very low32.7Very low95 Ų95144.4 Ų144.466%0.66473%0.731SS**  trans-141.887.1159.1-89.60000113.1
186L27.5Very low32Very low164 Ų164144.6 Ų144.686%0.85973%0.732SS**  trans49.6114.2139.7-81.1128.5000121.7H188L186-H188 PolarHBondContact O-N 3.27Å
187R27.9Very low31Very low218 Ų218146 Ų14682%0.82374%0.74SS**  trans-34.5114.7139.8-164.9173.9-165.5-169.62.8113.8
188H29.3Very low30.1Very low173 Ų173144 Ų14480%0.80175%0.753SS**  177.1141.6121.8-97.7-44.9000113.4L186L186-H188 PolarHBondContact O-N 3.27Å
189C26Very low29.6Very low104 Ų104139.5 Ų139.570%0.70376%0.757SS**  trans-62.8163163.8-47.80000110.4
190D25.9Very low28.9Very low152 Ų152144.7 Ų144.781%0.81378%0.775SS**  cis-154.6178.430.7-90.7-59000111
191D24.4Very low28.5Very low139 Ų139144.2 Ų144.274%0.74378%0.778SS**  trans-34.4155.7167.3-100.9-47.8000119.8
192D30Very low28.3Very low152 Ų152140.6 Ų140.681%0.81378%0.778SS**  trans107.1138.8135.5-79.3-36.1000122.8
193G26.5Very low27.9Very low69 Ų69140.6 Ų140.671%0.71178%0.775SS**  trans-63.5138.5-165.300000117.1
194R27.2Very low27.3Very low232 Ų232140.8 Ų140.888%0.87577%0.772SS**  trans34.8114138-129.1-169.7-146170.46.7117.9
195T27.5Very low26.7Very low110 Ų110140.5 Ų140.568%0.67577%0.771SS**  175131.187.734.50000112
196E26.6Very low26.4Very low156 Ų156143.4 Ų143.473%0.72978%0.778SS**  trans59.9118.9130.4-55.6-172.3-16800123.3
197N26.6Very low26.7Very low151 Ų151140.9 Ų140.981%0.80777%0.772SS**  trans93.3106.7140-56.6-27000120.2
198G26.6Very low26.4Very low77 Ų77136 Ų13679%0.79477%0.771SS**  103.191.5113.400000119.9
199A25.5Very low26.2Very low97 Ų97131.6 Ų131.680%0.80276%0.764SS**  trans82.2124.9136.600000123
200L24.4Very low26.1Very low170 Ų170132.3 Ų132.389%0.8977%0.765SS**  trans60.7116.6145.7-88.584.8000122.6
201A27Very low26.2Very low87 Ų87133.3 Ų133.372%0.71977%0.765SS**  trans-61.7174.5157.200000112.1
202P33.1Very low26.4Very low108 Ų108132.2 Ų132.270%0.70177%0.768SS**  cis-156.9-176.924.446.5-24.7000119.8
203K23.1Very low26.3Very low172 Ų172134.3 Ų134.375%0.74877%0.773SS**  trans88.1127.4147.1-75.7-172.9-175.5-173.60122.8
204Q24.4Very low26.3Very low158 Ų158140 Ų14074%0.73878%0.78SS**  trans70.5139.2136.2-75.5178.6-31.900117.7
205E22.3Very low26.6Very low167 Ų167135.7 Ų135.778%0.7878%0.78SS**  cis-150.7171.423.6-77.4-145.5145.800114.9
206L22.5Very low26.8Very low156 Ų156136.3 Ų136.382%0.81779%0.786SS**  trans-40.2-175.4167.8-76.1153000117.5
207P33.5Very low26.9Very low111 Ų111132.4 Ų132.472%0.72179%0.787SS**  cis-136.7-177.4-30.431.4-10.2000114.6
208S22.1Very low27.1Very low115 Ų115132.1 Ų132.180%0.80479%0.791SS**  trans89.5124.5140.9-150.50000120.5
209A24.4Very low27.2Very low80 Ų80136.3 Ų136.366%0.66179%0.794SS**  116.4122.7126.900000118.1
210V25.5Very low27.4Very low120 Ų120139.1 Ų139.173%0.72780%0.796SS**  trans77.6113.3144.2-120.90000121.9
211E26.9Very low27.8Very low173 Ų173138.8 Ų138.881%0.80879%0.792SS**  trans30.2118.7141.1-67.2176.3111.100120.4
212S28.1Very low27.8Very low116 Ų116139.9 Ų139.981%0.81179%0.794SS**  -179.4122.2100.6-71.10000109.5E214S212-E214 PolarHBondContact O-N 3.24Å
213H28.1Very low27.9Very low196 Ų196140.6 Ų140.691%0.90780%0.796SS**PPolyproline II helixtrans-70.6122.1-179.7-85.6-109.8000111.7
214E26.3Very low28.3Very low187 Ų187137.9 Ų137.987%0.87480%0.796SS**PPolyproline II helixtrans-88.7139.9153-67.8-164142.200109.4S212S212-E214 PolarHBondContact O-N 3.24Å
215V34.3Very low28.6Very low142 Ų142138.9 Ų138.986%0.86180%0.801SS**PPolyproline II helixtrans-97.1120.4175.3-174.10000108.3
216P31Very low29Very low124 Ų124137.8 Ų137.881%0.80580%0.799SS**  trans-106142.416734.9-25.4000111.2
217G29.3Very low29.2Very low73 Ų73138.3 Ų138.375%0.75380%0.795SS**  trans143.569.9158.700000116L219G217-L219 PolarHBondContact O-N 3.18Å
218T31.5Very low29.4Very low146 Ų146142.5 Ų142.590%0.89680%0.802SS**  trans-77.9115.6158.949.40000109.4N220T218-N220 PolarHBondContact O-N 3.46Å
219L28.8Very low29.7Very low164 Ų164146.9 Ų146.986%0.85980%0.802SS**  trans-58127.1176.3-71.3165.5000111.7G217 M221G217-L219 PolarHBondContact O-N 3.18Å; L219-M221 PolarHBondContact O-N 3.07Å; L219-M221 VanDerWaalsContact O-N 3.15Å
220N29.8Very low30.1Very low156 Ų156145.8 Ų145.883%0.83480%0.799SS**  trans-71.595.7170.5-159.33.3000108.1T218 S222T218-N220 PolarHBondContact O-N 3.46Å; N220-S222 PolarHBondContact O-N 3.26Å
221M31Very low31Very low164 Ų164149.6 Ų149.681%0.80881%0.808SS**  trans-83.5104.3172.9-69.8-126.477.400109.7L219 V223L219-M221 PolarHBondContact O-N 3.07Å; L219-M221 VanDerWaalsContact O-N 3.15Å; M221-V223 PolarHBondContact O-N 3.01Å
222S28.6Very low31Very low109 Ų109146.7 Ų146.776%0.76280%0.803SS**PPolyproline II helixtrans-47.5122.6168.2-55.60000111.4N220N220-S222 PolarHBondContact O-N 3.26Å
223V33.7Very low31.3Very low124 Ų124147.1 Ų147.175%0.75280%0.804SS**PPolyproline II helixtrans-72.9128.9172.9178.80000108.6M221 Q225M221-V223 PolarHBondContact O-N 3.01Å; V223-Q225 PolarHBondContact O-N 3.35Å
224P33.4Very low31.3Very low114 Ų114146.8 Ų146.874%0.7480%0.8SS**PPolyproline II helixtrans-61.5133.5174-19.830.8000110.9I226P224-I226 PolarHBondContact O-N 2.66Å
225Q29.4Very low31.7Very low179 Ų179143.2 Ų143.284%0.83679%0.794SS**PPolyproline II helixtrans-49.5131.3177.9-71.2179.3-12.300112V223 F227V223-Q225 PolarHBondContact O-N 3.35Å; Q225-F227 PolarHBondContact O-N 3.33Å; Q225-F227 VanDerWaalsContact O-N 3.09Å
226I32Very low32Very low145 Ų145147.1 Ų147.174%0.74480%0.799SS**  trans-68.4103.6168.7-63.9165.9000107.2P224 K228P224-I226 PolarHBondContact O-N 2.66Å; I226-K228 PolarHBondContact O-N 3.44Å
227F26.2Very low32.1Very low167 Ų167143.6 Ų143.673%0.73279%0.785SS**  trans-59.3118.4162.5-96-96000108.6Q225 Y229Q225-F227 PolarHBondContact O-N 3.33Å; Q225-F227 VanDerWaalsContact O-N 3.09Å; F227-Y229 HydrophobicContact CB-CD2 4.4Å; F227-Y229 HydrophobicContact CB-CE2 4.25Å; F227-Y229 PolarHBondContact O-N 3.32Å; F227-Y229 VanDerWaalsContact O-N 3.09Å
228K37.6Very low32.8Very low198 Ų198150.7 Ų150.786%0.86179%0.789SS**  trans-67.799.6167.5-68.8-169.6178.6-178.50108.4I226 G230I226-K228 PolarHBondContact O-N 3.44Å; K228-G230 PolarHBondContact O-N 3.14Å
229Y28.6Very low32.8Very low208 Ų208152.8 Ų152.882%0.81679%0.786SS**  trans-82.8107.7158.6-82.5-83.3000108.3F227F227-Y229 HydrophobicContact CB-CD2 4.4Å; F227-Y229 HydrophobicContact CB-CE2 4.25Å; F227-Y229 PolarHBondContact O-N 3.32Å; F227-Y229 VanDerWaalsContact O-N 3.09Å
230G32.4Very low33.4Very low57 Ų57152 Ų15259%0.58878%0.779SS**  trans-60.714216400000110.8K228 T232K228-G230 PolarHBondContact O-N 3.14Å; G230-T232 PolarHBondContact O-N 3.36Å
231E43.5Very low34Very low199 Ų199155.2 Ų155.293%0.9378%0.779SS**  trans33.984.5145.9-56.8-176.5155.200116.7
232T27.8Very low34.4Very low113 Ų113157.3 Ų157.369%0.69378%0.783SS**  trans-108.2111.2147.860.10000108.3G230 F234G230-T232 PolarHBondContact O-N 3.36Å; T232-F234 PolarHBondContact O-N 3.37Å; T232-F234 VanDerWaalsContact O-N 3.08Å
233C33.3Very low35.3Very low124 Ų124163.2 Ų163.284%0.83879%0.789SS**  trans-42.9115163.3-67.10000109.6P235C233-P235 WeakPolarHBondContact O-CD 3.35Å
234F28Very low35.5Very low189 Ų189163.9 Ų163.983%0.82979%0.788SS**  trans-80.7105.1164.7-95.2-94.9000107.8T232 K236T232-F234 PolarHBondContact O-N 3.37Å; T232-F234 VanDerWaalsContact O-N 3.08Å; F234-K236 PolarHBondContact O-N 3.49Å
235P34.6Very low36.3Very low113 Ų113164 Ų16473%0.73479%0.789SS**  trans-63.8126.1160.127-30.6000107.1C233 G237C233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-G237 PolarHBondContact O-N 3.5Å
236K42.5Very low37.4Very low224 Ų224159.3 Ų159.397%0.97478%0.776SS**  trans-66.168166.4-70.8179.3178.4173.70109.1F234F234-K236 PolarHBondContact O-N 3.49Å
237G31.4Very low38.6Very low50 Ų50164.6 Ų164.652%0.51579%0.787SS.*  trans-100.8121.2168.900000108.5P235 F239P235-G237 PolarHBondContact O-N 3.5Å; G237-F239 VanDerWaalsContact C-N 3.25Å; G237-F239 PolarHBondContact O-N 3.41Å
238R45.3Very low40.4Very low222 Ų222164.8 Ų164.884%0.83879%0.787SS**  trans-60.293.8163.8-179.5-173.8-76.7-150.7-1.2106.9E240R238-E240 HydrophobicContact CG-CG 4.44Å; R238-E240 PolarHBondContact O-N 3.22Å
239F31.3Very low41.7Very low189 Ų189164.3 Ų164.383%0.82979%0.785SS**  trans-71.386.9171.4-121.5-91.3000107.2G237 R241G237-F239 VanDerWaalsContact C-N 3.25Å; G237-F239 PolarHBondContact O-N 3.41Å; F239-R241 PolarHBondContact O-N 3.28Å
240E41.7Very low44.1Very low149 Ų149160.3 Ų160.370%0.69677%0.774SS**  trans-60.996.2157.5-83.9174.9-177.500106.7R238 K242R238-E240 HydrophobicContact CG-CG 4.44Å; R238-E240 PolarHBondContact O-N 3.22Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.33Å
241R42.9Very low46.6Very low223 Ų223161 Ų16184%0.84276%0.761SS**  trans-56.5103.2162-76.4-175.5170.9-174.5-3.1106.1F239 R243F239-R241 PolarHBondContact O-N 3.28Å; R241-R243 VanDerWaalsContact C-N 3.26Å; R241-R243 PolarHBondContact O-N 3.24Å
242K38Very low48.7Very low208 Ų208155.1 Ų155.190%0.90474%0.736SS**  trans-56.697163.7-71.3-176.7178.5178.90106.7E240 N244E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.33Å; K242-N244 PolarHBondContact O-N 2.85Å
243R47.3Very low51.7Low232 Ų232149.8 Ų149.888%0.87570%0.703SS**  trans-70.4115174.1-83-179.4173.4170.9-1.3107R241R241-R243 VanDerWaalsContact C-N 3.26Å; R241-R243 PolarHBondContact O-N 3.24Å
244N38.9Very low54.4Low138 Ų138151 Ų15174%0.73870%0.701SS**  trans-62.5123.1164.7-157.64.1000108.1K242 S246K242-N244 PolarHBondContact O-N 2.85Å; N244-S246 PolarHBondContact O-N 2.86Å
245P49.6Very low57.3Low116 Ų116148.2 Ų148.275%0.75369%0.691SS**  trans-85.563.4-176.535.1-32.9000110.3R247P245-R247 PolarHBondContact O-N 3.43Å
246S51.7Low60Low81 Ų81145.3 Ų145.357%0.56667%0.673SS**  trans-71.3114.4157.7-49.60000106N244 K248N244-S246 PolarHBondContact O-N 2.86Å; S246-K248 PolarHBondContact O-N 2.96Å
247R57.2Low62.2Low256 Ų256136.5 Ų136.597%0.96665%0.645SS**  trans-5780.7179.3-75.1179.2175.3178-1.7110.6P245 K249P245-R247 PolarHBondContact O-N 3.43Å; R247-K249 PolarHBondContact O-N 3.36Å
248K64.9Low64.9Low171 Ų171139.8 Ų139.874%0.74365%0.645SS**  trans-70.9119.3167.8-72.8-175.7179.9-176.40106.6S246 Q250S246-K248 PolarHBondContact O-N 2.96Å; K248-Q250 WeakPolarHBondContact O-CG 3.43Å; K248-Q250 PolarHBondContact O-N 3.01Å
249K65.7Low67.1Low189 Ų189134.6 Ų134.682%0.82263%0.63SS**  trans-53.4115173-165.4172.3-175.6177.30107.7R247R247-K249 PolarHBondContact O-N 3.36Å
250Q78.1Confident69.9Low124 Ų124127.6 Ų127.658%0.57960%0.599SS**  trans-84.3136-178.7-63.8-179-6.100108.3K248 H259K248-Q250 WeakPolarHBondContact O-CG 3.43Å; K248-Q250 PolarHBondContact O-N 3.01Å; Q250-H259 PolarHBondContact OE1-CD2 3.43Å
251H84.6Confident72Confident70 Ų70125.3 Ų125.332%0.32460%0.6SS.*EExtended strand (participates in β ladder)trans-92.5115.4175.3-65.6-86.9000107.8F260 G263 L266H251-F260 HydrophobicContact CB-CB 4.24Å; H251-F260 PolarHBondContact N-O 3.2Å; H251-F260 PolarHBondContact O-N 3.42Å; H251-G263 PolarHBondContact CD2-N 3.28Å; H251-G263 PolarHBondContact NE2-N 3.45Å; H251-L266 HydrophobicContact CB-CB 3.94Å; H251-L266 HydrophobicContact CB-CD2 3.81Å; H251-L266 HydrophobicContact CB-CG 4.48Å
252I87.9Confident74.1Confident76 Ų76120.3 Ų120.339%0.3959%0.586SS.*EExtended strand (participates in β ladder)trans-105.3138.1-174.3-56.5173.3000108.5K258 L266I252-K258 WeakPolarHBondContact CA-O 3.43Å; I252-L266 WeakPolarHBondContact O-CD2 3.43Å
253C91.8Very high76.5Confident1 Ų1111.4 Ų111.41%0.00755%0.553CS.*  trans-81.8119.9170-1770000109.9E255 G257 K258 F260 L266 H269C253-E255 PolarHBondContact O-N 3.07Å; C253-G257 WeakPolarHBondContact O-CA 3.3Å; C253-G257 PolarHBondContact O-N 3Å; C253-K258 PolarHBondContact N-O 2.88Å; C253-F260 HydrophobicContact CB-CE2 4.14Å; C253-L266 VanDerWaalsContact CA-CD1 3.5Å; C253-L266 HydrophobicContact CB-CD1 3.6Å; C253-H269 VanDerWaalsContact SG-CD2 3.56Å; C253-H269 PolarHBondContact SG-NE2 2.84Å; C253-H269 VanDerWaalsContact SG-NE2 3.42Å
254D88.8Confident78.4Confident149 Ų149103.9 Ų103.980%0.79754%0.537SS*.THydrogen-bonded Turntrans-65.9-25.4-178.6-59.9-39.8000112.7
255E89.8Confident80.8Confident132 Ų13299 Ų9962%0.61752%0.515SS*.THydrogen-bonded Turntrans-83.1-32.6-178.2-67.4-170.3-137.800114.6C253 H273C253-E255 PolarHBondContact O-N 3.07Å; E255-H273 VanDerWaalsContact CD-CB 3.46Å; E255-H273 WeakPolarHBondContact OE1-CB 3.14Å; E255-H273 IonicContact OE1-CG 3.43Å; E255-H273 WeakPolarHBondContact OE2-CB 3.25Å; E255-H273 IonicContact OE2-CE1 3.88Å; E255-H273 IonicContact OE2-CG 2.77Å; E255-H273 IonicContact OE2-ND1 3.74Å; E255-H273 PolarHBondContact OE2-ND1 2.87Å
256C91.4Very high82.8Confident52 Ų5294.3 Ų94.335%0.35148%0.484SS..THydrogen-bonded Turntrans-130.45.4-177.371.20000115.1K258 H269 H273C256-K258 PolarHBondContact O-N 3.19Å; C256-K258 VanDerWaalsContact O-N 3.08Å; C256-K258 VanDerWaalsContact SG-CG 3.54Å; C256-H269 PolarHBondContact SG-NE2 3.07Å; C256-H273 PolarHBondContact SG-NE2 3.44Å
257G87.8Confident84.5Confident38 Ų3895 Ų9539%0.39248%0.48SS..  trans64.112177.700000114.8C253 H259C253-G257 WeakPolarHBondContact O-CA 3.3Å; C253-G257 PolarHBondContact O-N 3Å; G257-H259 PolarHBondContact O-CE1 3.23Å; G257-H259 VanDerWaalsContact O-CE1 3.25Å; G257-H259 PolarHBondContact O-ND1 3.42Å
258K88.6Confident86Confident119 Ų11984.7 Ų84.752%0.51744%0.444SS..  trans-72.2137.5179.9-75.4179.2-173.3170.80110.7I252 C253 C256 F260I252-K258 WeakPolarHBondContact CA-O 3.43Å; C253-K258 PolarHBondContact N-O 2.88Å; C256-K258 PolarHBondContact O-N 3.19Å; C256-K258 VanDerWaalsContact O-N 3.08Å; C256-K258 VanDerWaalsContact SG-CG 3.54Å; K258-F260 HydrophobicContact CB-CE2 3.66Å; K258-F260 HydrophobicContact CB-CZ 3.85Å; K258-F260 WeakPolarHBondContact O-CD2 3.46Å; K258-F260 WeakPolarHBondContact O-CE2 3.35Å
259H91.3Very high87.2Confident114 Ų11477.2 Ų77.253%0.52841%0.412SS..EExtended strand (participates in β ladder)trans-98.9133.4-178-61.570.3000110.5Q250 G257Q250-H259 PolarHBondContact OE1-CD2 3.43Å; G257-H259 PolarHBondContact O-CE1 3.23Å; G257-H259 VanDerWaalsContact O-CE1 3.25Å; G257-H259 PolarHBondContact O-ND1 3.42Å
260F89.6Confident88.3Confident41 Ų4171.7 Ų71.718%0.1839%0.389CS..EExtended strand (participates in β ladder)trans-122.3143.1179.8-60.9-86.3000110.3H251 C253 K258 Q262 A265 L266 H269H251-F260 HydrophobicContact CB-CB 4.24Å; H251-F260 PolarHBondContact N-O 3.2Å; H251-F260 PolarHBondContact O-N 3.42Å; C253-F260 HydrophobicContact CB-CE2 4.14Å; K258-F260 HydrophobicContact CB-CE2 3.66Å; K258-F260 HydrophobicContact CB-CZ 3.85Å; K258-F260 WeakPolarHBondContact O-CD2 3.46Å; K258-F260 WeakPolarHBondContact O-CE2 3.35Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-A265 HydrophobicContact CB-CB 4.31Å; F260-A265 HydrophobicContact CD1-CB 3.98Å; F260-A265 HydrophobicContact CG-CB 4.47Å; F260-L266 HydrophobicContact CB-CB 4.27Å; F260-L266 HydrophobicContact CD2-CB 4Å; F260-L266 HydrophobicContact CD2-CD1 3.78Å; F260-L266 HydrophobicContact CE2-CD1 3.97Å; F260-L266 HydrophobicContact CG-CB 4.24Å; F260-H269 HydrophobicContact CE1-CB 3.8Å; F260-H269 AromaticContact CE1-CG 3.99Å; F260-H269 HydrophobicContact CE2-CB 4Å; F260-H269 AromaticContact CE2-CD2 3.33Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.38Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.43Å; F260-H269 VanDerWaalsContact CZ-CB 3.43Å; F260-H269 AromaticContact CZ-CD2 3.3Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.77Å; F260-H269 AromaticContact CZ-NE2 3.92Å
261S86.6Confident88.9Confident102 Ų10268.5 Ų68.571%0.71337%0.371SS*.SBendtrans-78-15.2177.752.30000113.4
262Q87.4Confident89.1Confident117 Ų11770.9 Ų70.955%0.54739%0.385SS..SBendtrans-140.3142-176.9-60.4179.520.300109.9F260 S264 A265 L266F260-Q262 VanDerWaalsContact C-N 3.3Å; Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.49Å; Q262-S264 PolarHBondContact OE1-OG 2.73Å; Q262-A265 HydrophobicContact CB-CB 4.38Å; Q262-A265 WeakPolarHBondContact O-CB 3.42Å; Q262-A265 PolarHBondContact O-N 3.41Å; Q262-L266 PolarHBondContact O-N 2.69Å
263G88.4Confident89.2Confident21 Ų2170.3 Ų70.322%0.21638%0.381CS..Hα-helixtrans-64.2-35.3177.800000113.2H251 A265 L266 I267H251-G263 PolarHBondContact CD2-N 3.28Å; H251-G263 PolarHBondContact NE2-N 3.45Å; G263-A265 VanDerWaalsContact C-N 3.28Å; G263-A265 PolarHBondContact O-N 2.93Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.31Å; G263-L266 VanDerWaalsContact O-N 3.11Å; G263-I267 WeakPolarHBondContact O-CG1 3.22Å; G263-I267 PolarHBondContact O-N 2.63Å
264S87.6Confident89Confident75 Ų7573.4 Ų73.452%0.52440%0.403SS..Hα-helixtrans-58.7-38.517455.50000112.6Q262 L268Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.49Å; Q262-S264 PolarHBondContact OE1-OG 2.73Å; S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å
265A88.4Confident89Confident34 Ų3468.5 Ų68.528%0.28139%0.387SS..Hα-helixtrans-69.9-35.2176.600000112.1F260 Q262 G263 H269F260-A265 HydrophobicContact CB-CB 4.31Å; F260-A265 HydrophobicContact CD1-CB 3.98Å; F260-A265 HydrophobicContact CG-CB 4.47Å; Q262-A265 HydrophobicContact CB-CB 4.38Å; Q262-A265 WeakPolarHBondContact O-CB 3.42Å; Q262-A265 PolarHBondContact O-N 3.41Å; G263-A265 VanDerWaalsContact C-N 3.28Å; G263-A265 PolarHBondContact O-N 2.93Å; A265-H269 VanDerWaalsContact O-CB 3.27Å; A265-H269 WeakPolarHBondContact O-CB 3.3Å; A265-H269 PolarHBondContact O-N 2.81Å
266L90.6Very high88.9Confident19 Ų1967.7 Ų67.710%0.09938%0.383CS..Hα-helixtrans-64.9-49.9172.9171.962.2000111.2H251 I252 C253 F260 Q262 G263 L268 H269 Q270H251-L266 HydrophobicContact CB-CB 3.94Å; H251-L266 HydrophobicContact CB-CD2 3.81Å; H251-L266 HydrophobicContact CB-CG 4.48Å; I252-L266 WeakPolarHBondContact O-CD2 3.43Å; C253-L266 VanDerWaalsContact CA-CD1 3.5Å; C253-L266 HydrophobicContact CB-CD1 3.6Å; F260-L266 HydrophobicContact CB-CB 4.27Å; F260-L266 HydrophobicContact CD2-CB 4Å; F260-L266 HydrophobicContact CD2-CD1 3.78Å; F260-L266 HydrophobicContact CE2-CD1 3.97Å; F260-L266 HydrophobicContact CG-CB 4.24Å; Q262-L266 PolarHBondContact O-N 2.69Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.31Å; G263-L266 VanDerWaalsContact O-N 3.11Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 PolarHBondContact O-N 3.06Å; L266-H269 CarbonylContact O-C 3.55Å; L266-H269 WeakPolarHBondContact O-CA 3.44Å; L266-H269 WeakPolarHBondContact O-CB 3.48Å; L266-H269 PolarHBondContact O-N 3.25Å; L266-Q270 HydrophobicContact CD1-CG 4.13Å; L266-Q270 HydrophobicContact CG-CG 4.45Å; L266-Q270 WeakPolarHBondContact O-CG 2.98Å; L266-Q270 PolarHBondContact O-N 3.45Å
267I88.3Confident88.9Confident95 Ų9571.3 Ų71.349%0.48739%0.393SS..Hα-helixtrans-56.5-44.7178.3-66.8165.8000110.4G263 H269 Q270 R271G263-I267 WeakPolarHBondContact O-CG1 3.22Å; G263-I267 PolarHBondContact O-N 2.63Å; I267-H269 VanDerWaalsContact C-N 3.28Å; I267-H269 PolarHBondContact O-N 3.43Å; I267-Q270 WeakPolarHBondContact O-CB 3.02Å; I267-Q270 PolarHBondContact O-N 3.17Å; I267-R271 PolarHBondContact O-N 2.99Å
268L88.5Confident89Confident40 Ų4073.1 Ų73.121%0.20940%0.398CS..Hα-helixtrans-67.2-32.1178.8-178.254.9000113.1S264 L266 R290S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 PolarHBondContact O-N 3.06Å; L268-R290 HydrophobicContact CD1-CG 3.51Å; L268-R290 HydrophobicContact CD2-CG 4.14Å; L268-R290 VanDerWaalsContact CD2-NH2 3.3Å; L268-R290 HydrophobicContact CG-CG 4.32Å
269H89.6Confident89.2Confident14 Ų1471.4 Ų71.47%0.06539%0.389CS..Hα-helixtrans-71.7-38.1173.716864.2000112C253 C256 F260 A265 L266 I267 R271 I272 H273C253-H269 VanDerWaalsContact SG-CD2 3.56Å; C253-H269 PolarHBondContact SG-NE2 2.84Å; C253-H269 VanDerWaalsContact SG-NE2 3.42Å; C256-H269 PolarHBondContact SG-NE2 3.07Å; F260-H269 HydrophobicContact CE1-CB 3.8Å; F260-H269 AromaticContact CE1-CG 3.99Å; F260-H269 HydrophobicContact CE2-CB 4Å; F260-H269 AromaticContact CE2-CD2 3.33Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.38Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.43Å; F260-H269 VanDerWaalsContact CZ-CB 3.43Å; F260-H269 AromaticContact CZ-CD2 3.3Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.77Å; F260-H269 AromaticContact CZ-NE2 3.92Å; A265-H269 VanDerWaalsContact O-CB 3.27Å; A265-H269 WeakPolarHBondContact O-CB 3.3Å; A265-H269 PolarHBondContact O-N 2.81Å; L266-H269 CarbonylContact O-C 3.55Å; L266-H269 WeakPolarHBondContact O-CA 3.44Å; L266-H269 WeakPolarHBondContact O-CB 3.48Å; L266-H269 PolarHBondContact O-N 3.25Å; I267-H269 VanDerWaalsContact C-N 3.28Å; I267-H269 PolarHBondContact O-N 3.43Å; H269-R271 PolarHBondContact O-N 2.92Å; H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 WeakPolarHBondContact O-CG1 3.39Å; H269-I272 PolarHBondContact O-N 2.89Å; H269-H273 AromaticContact CE1-CD2 3.97Å; H269-H273 AromaticContact CE1-NE2 3.54Å; H269-H273 AromaticContact NE2-CD2 3.74Å; H269-H273 AromaticContact NE2-NE2 3.31Å; H269-H273 PolarHBondContact NE2-NE2 3.12Å
270Q88.9Confident89.2Confident73 Ų7368 Ų6834%0.34138%0.384SS..Hα-helixtrans-58.7-29.6175.4-74.6171.4-31.700112.2L266 I267 I272 H273 S274L266-Q270 HydrophobicContact CD1-CG 4.13Å; L266-Q270 HydrophobicContact CG-CG 4.45Å; L266-Q270 WeakPolarHBondContact O-CG 2.98Å; L266-Q270 PolarHBondContact O-N 3.45Å; I267-Q270 WeakPolarHBondContact O-CB 3.02Å; I267-Q270 PolarHBondContact O-N 3.17Å; Q270-I272 PolarHBondContact O-N 3.33Å; Q270-I272 VanDerWaalsContact O-N 3.1Å; Q270-H273 WeakPolarHBondContact O-CA 3.45Å; Q270-H273 VanDerWaalsContact O-CB 3.3Å; Q270-H273 WeakPolarHBondContact O-CB 3.35Å; Q270-H273 PolarHBondContact O-N 2.91Å; Q270-S274 PolarHBondContact O-N 2.98Å; Q270-S274 PolarHBondContact O-OG 3.41Å
271R90.7Very high89.4Confident57 Ų5766.2 Ų66.222%0.21538%0.377CS..Hα-helixtrans-59.9-21.2172-63.4-173.8-174.5155.13.9114.6I267 H269 H273 S274 G275 E276 S289I267-R271 PolarHBondContact O-N 2.99Å; H269-R271 PolarHBondContact O-N 2.92Å; R271-H273 VanDerWaalsContact C-N 3.29Å; R271-S274 WeakPolarHBondContact CA-OG 3.4Å; R271-G275 WeakPolarHBondContact O-CA 3.42Å; R271-G275 PolarHBondContact O-N 2.93Å; R271-E276 HydrophobicContact CB-CB 4.45Å; R271-E276 HydrophobicContact CG-CB 4.25Å; R271-E276 PolarHBondContact O-N 3.45Å; R271-S289 PolarHBondContact NH1-O 2.95Å
272I89.2Confident89.6Confident119 Ų11968.2 Ų68.261%0.6138%0.384SS*.Hα-helixtrans-70.5-34.3174.1-58176.4000110.2H269 Q270H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 WeakPolarHBondContact O-CG1 3.39Å; H269-I272 PolarHBondContact O-N 2.89Å; Q270-I272 PolarHBondContact O-N 3.33Å; Q270-I272 VanDerWaalsContact O-N 3.1Å
273H89.6Confident89.7Confident65 Ų6568.2 Ų68.230%0.30138%0.384SS..Hα-helixtrans-79.7-49.8-179.9-72.2-79.9000111.9E255 C256 H269 Q270 R271 G275E255-H273 VanDerWaalsContact CD-CB 3.46Å; E255-H273 WeakPolarHBondContact OE1-CB 3.14Å; E255-H273 IonicContact OE1-CG 3.43Å; E255-H273 WeakPolarHBondContact OE2-CB 3.25Å; E255-H273 IonicContact OE2-CE1 3.88Å; E255-H273 IonicContact OE2-CG 2.77Å; E255-H273 IonicContact OE2-ND1 3.74Å; E255-H273 PolarHBondContact OE2-ND1 2.87Å; C256-H273 PolarHBondContact SG-NE2 3.44Å; H269-H273 AromaticContact CE1-CD2 3.97Å; H269-H273 AromaticContact CE1-NE2 3.54Å; H269-H273 AromaticContact NE2-CD2 3.74Å; H269-H273 AromaticContact NE2-NE2 3.31Å; H269-H273 PolarHBondContact NE2-NE2 3.12Å; Q270-H273 WeakPolarHBondContact O-CA 3.45Å; Q270-H273 VanDerWaalsContact O-CB 3.3Å; Q270-H273 WeakPolarHBondContact O-CB 3.35Å; Q270-H273 PolarHBondContact O-N 2.91Å; R271-H273 VanDerWaalsContact C-N 3.29Å; H273-G275 PolarHBondContact O-N 3.33Å
274S87.9Confident89.9Confident66 Ų6669.6 Ų69.646%0.46239%0.39SS..Hα-helixtrans-71.7-18177.964.80000113.4Q270 R271 E276Q270-S274 PolarHBondContact O-N 2.98Å; Q270-S274 PolarHBondContact O-OG 3.41Å; R271-S274 WeakPolarHBondContact CA-OG 3.4Å; S274-E276 PolarHBondContact O-N 2.86Å; S274-E276 WeakPolarHBondContact OG-CB 3.32Å; S274-E276 WeakPolarHBondContact OG-CG 3.31Å; S274-E276 PolarHBondContact OG-N 3.39Å
275G88.1Confident90Very high46 Ų4669.1 Ų69.147%0.47440%0.397SS..  trans71.67.8-174.500000113.8R271 H273 K277R271-G275 WeakPolarHBondContact O-CA 3.42Å; R271-G275 PolarHBondContact O-N 2.93Å; H273-G275 PolarHBondContact O-N 3.33Å; G275-K277 PolarHBondContact O-N 3.32Å
276E89.4Confident90.2Very high114 Ų11473.5 Ų73.553%0.53341%0.41SS..  trans-59.6126.6179.9-78.7176.7-168.600112R271 S274R271-E276 HydrophobicContact CB-CB 4.45Å; R271-E276 HydrophobicContact CG-CB 4.25Å; R271-E276 PolarHBondContact O-N 3.45Å; S274-E276 PolarHBondContact O-N 2.86Å; S274-E276 WeakPolarHBondContact OG-CB 3.32Å; S274-E276 WeakPolarHBondContact OG-CG 3.31Å; S274-E276 PolarHBondContact OG-N 3.39Å
277K91.4Very high90.3Very high129 Ų12974.4 Ų74.456%0.56142%0.42SS*.  trans-13179.4179.7-72.8165.5169.5-167.80109.8G275 Y279 A287 F288G275-K277 PolarHBondContact O-N 3.32Å; K277-Y279 PolarHBondContact O-N 2.94Å; K277-Y279 VanDerWaalsContact O-N 3.16Å; K277-A287 HydrophobicContact CB-CB 3.58Å; K277-A287 HydrophobicContact CD-CB 4.3Å; K277-A287 WeakPolarHBondContact CD-O 3.45Å; K277-F288 CarbonylContact C-O 3.28Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 VanDerWaalsContact CA-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.4Å
278P89.3Confident90.5Very high76 Ų7671.7 Ų71.749%0.49441%0.405SS..  trans-66.2-18.2-174-21.634.2000114.1
279Y92.1Very high90.6Very high83 Ų8371.6 Ų71.633%0.32541%0.407SS..EExtended strand (participates in β ladder)trans-106.897-169.2-56.5-78.3000110.7K277 A287 F288 R290K277-Y279 PolarHBondContact O-N 2.94Å; K277-Y279 VanDerWaalsContact O-N 3.16Å; Y279-A287 CarbonylContact O-C 3.5Å; Y279-A287 WeakPolarHBondContact O-CA 3.41Å; Y279-F288 WeakPolarHBondContact CB-O 3.38Å; Y279-F288 WeakPolarHBondContact CD2-O 3.48Å; Y279-F288 PolarHBondContact N-O 3.45Å; Y279-F288 VanDerWaalsContact N-O 3.11Å; Y279-F288 PolarHBondContact O-N 3.15Å; Y279-R290 VanDerWaalsContact CD2-C 3.43Å
280G91.9Very high90.6Very high42 Ų4276.3 Ų76.343%0.43342%0.424SS..EExtended strand (participates in β ladder)trans-85.8139.2177.100000113.2L294G280-L294 WeakPolarHBondContact O-CD2 3.26Å
281C93.3Very high90.6Very high4 Ų475.8 Ų75.83%0.02743%0.429CS..  trans-82.7121.7164.7179.80000109.1E283 C284 G285 K286 F288 L294C281-E283 VanDerWaalsContact C-N 3.28Å; C281-E283 PolarHBondContact O-N 2.9Å; C281-C284 VanDerWaalsContact SG-SG 3.6Å; C281-G285 WeakPolarHBondContact O-CA 3.27Å; C281-G285 PolarHBondContact O-N 2.97Å; C281-K286 WeakPolarHBondContact CB-O 3.38Å; C281-K286 PolarHBondContact N-O 3.09Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; C281-L294 HydrophobicContact CB-CD1 3.65Å
282V91Very high90.6Very high143 Ų14376.6 Ų76.687%0.86744%0.443SS*.THydrogen-bonded Turntrans-65.7-34.3-179.9-177.80000111.4
283E90.4Very high90.7Very high117 Ų11774 Ų7455%0.54743%0.43SS..THydrogen-bonded Turntrans-76.3-34.4-173.3-61.5-176.1-139.400114.2C281 H301C281-E283 VanDerWaalsContact C-N 3.28Å; C281-E283 PolarHBondContact O-N 2.9Å; E283-H301 WeakPolarHBondContact OE2-CB 3.22Å; E283-H301 IonicContact OE2-CD2 2.81Å; E283-H301 IonicContact OE2-CG 3.02Å; E283-H301 IonicContact OE2-ND1 3.23Å; E283-H301 PolarHBondContact OE2-ND1 2.84Å
284C92.4Very high90.8Very high51 Ų5172 Ų7235%0.34542%0.421SS..THydrogen-bonded Turntrans-126.35.3-177.9690000114.9C281 K286 H297 H301C281-C284 VanDerWaalsContact SG-SG 3.6Å; C284-K286 PolarHBondContact O-N 3.14Å; C284-H297 PolarHBondContact SG-NE2 3.37Å; C284-H301 PolarHBondContact SG-NE2 3.02Å; C284-H301 VanDerWaalsContact SG-NE2 3.43Å
285G89.9Confident91Very high64 Ų6472.4 Ų72.466%0.6642%0.421SS*.  trans672.5-179.800000115C281 A287C281-G285 WeakPolarHBondContact O-CA 3.27Å; C281-G285 PolarHBondContact O-N 2.97Å; G285-A287 PolarHBondContact O-N 2.86Å
286K92.8Very high91.1Very high127 Ų12773.3 Ų73.355%0.55241%0.413SS*.  trans-72.3130.1-179.6-71.7179.6-176.6171.50110.8C281 C284 F288C281-K286 WeakPolarHBondContact CB-O 3.38Å; C281-K286 PolarHBondContact N-O 3.09Å; C284-K286 PolarHBondContact O-N 3.14Å; K286-F288 HydrophobicContact CB-CE2 4.05Å; K286-F288 HydrophobicContact CB-CZ 4.04Å; K286-F288 WeakPolarHBondContact O-CE2 3.48Å
287A92.3Very high91.3Very high38 Ų3869.2 Ų69.231%0.31439%0.394SS..EExtended strand (participates in β ladder)trans-104.5145.1178.900000113K277 Y279 G285K277-A287 HydrophobicContact CB-CB 3.58Å; K277-A287 HydrophobicContact CD-CB 4.3Å; K277-A287 WeakPolarHBondContact CD-O 3.45Å; Y279-A287 CarbonylContact O-C 3.5Å; Y279-A287 WeakPolarHBondContact O-CA 3.41Å; G285-A287 PolarHBondContact O-N 2.86Å
288F92Very high91.3Very high38 Ų3866.5 Ų66.517%0.16738%0.383CS..EExtended strand (participates in β ladder)trans-127.4152.5-176.6-56.9-83.5000111.5K277 Y279 C281 K286 R290 I293 L294 H297K277-F288 CarbonylContact C-O 3.28Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 VanDerWaalsContact CA-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.4Å; Y279-F288 WeakPolarHBondContact CB-O 3.38Å; Y279-F288 WeakPolarHBondContact CD2-O 3.48Å; Y279-F288 PolarHBondContact N-O 3.45Å; Y279-F288 VanDerWaalsContact N-O 3.11Å; Y279-F288 PolarHBondContact O-N 3.15Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; K286-F288 HydrophobicContact CB-CE2 4.05Å; K286-F288 HydrophobicContact CB-CZ 4.04Å; K286-F288 WeakPolarHBondContact O-CE2 3.48Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-I293 HydrophobicContact CB-CB 4.46Å; F288-I293 HydrophobicContact CB-CG2 4.43Å; F288-I293 HydrophobicContact CD1-CB 4.42Å; F288-I293 HydrophobicContact CD1-CG2 3.53Å; F288-I293 HydrophobicContact CE1-CG2 4.09Å; F288-I293 HydrophobicContact CG-CG2 4.15Å; F288-L294 HydrophobicContact CD2-CB 3.94Å; F288-L294 HydrophobicContact CD2-CD1 3.82Å; F288-L294 HydrophobicContact CD2-CG 4.5Å; F288-L294 HydrophobicContact CE2-CD1 3.97Å; F288-L294 HydrophobicContact CG-CB 4.48Å; F288-H297 HydrophobicContact CE1-CB 4.24Å; F288-H297 HydrophobicContact CE2-CB 3.87Å; F288-H297 AromaticContact CE2-CD2 3.35Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.43Å; F288-H297 AromaticContact CE2-CG 3.64Å; F288-H297 HydrophobicContact CZ-CB 3.59Å; F288-H297 AromaticContact CZ-CD2 3.37Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.04Å; F288-H297 AromaticContact CZ-CG 3.26Å; F288-H297 AromaticContact CZ-ND1 3.77Å; F288-H297 AromaticContact CZ-NE2 3.87Å
289S89.8Confident91.4Very high37 Ų3765.5 Ų65.526%0.25937%0.369SS..SBendtrans-82-11.3179.557.30000113.8R271R271-S289 PolarHBondContact NH1-O 2.95Å
290R89.5Confident91.4Very high113 Ų11366.6 Ų66.643%0.42639%0.385SS..SBendtrans-137.4137.6-177.8-65.1177.3-171-158.6-6.5110.3L268 Y279 F288 S292 I293 L294L268-R290 HydrophobicContact CD1-CG 3.51Å; L268-R290 HydrophobicContact CD2-CG 4.14Å; L268-R290 VanDerWaalsContact CD2-NH2 3.3Å; L268-R290 HydrophobicContact CG-CG 4.32Å; Y279-R290 VanDerWaalsContact CD2-C 3.43Å; F288-R290 VanDerWaalsContact C-N 3.33Å; R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 3.45Å; R290-I293 HydrophobicContact CB-CB 4.37Å; R290-I293 HydrophobicContact CB-CG1 3.89Å; R290-I293 PolarHBondContact O-N 3.17Å; R290-L294 PolarHBondContact O-N 2.74Å
291S90.5Very high91.4Very high62 Ų6267.9 Ų67.943%0.43438%0.379SS..Hα-helixtrans-60.8-40.9174.954.50000112.5I293 L294 V295S291-I293 PolarHBondContact O-N 3.05Å; S291-L294 WeakPolarHBondContact O-CA 3.16Å; S291-L294 WeakPolarHBondContact O-CB 3.32Å; S291-L294 PolarHBondContact O-N 3.26Å; S291-V295 PolarHBondContact O-N 3.37Å
292S89.2Confident91.2Very high74 Ų7471.5 Ų71.552%0.51740%0.401SS..Hα-helixtrans-61-31.3179.1570000113.5R290 Q296R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 3.45Å; S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 3.35Å; S292-Q296 VanDerWaalsContact O-N 3.09Å
293I91.3Very high91.2Very high65 Ų6566.8 Ų66.833%0.33338%0.382SS..Hα-helixtrans-76-35.8175.8-57.1-61.3000110.7F288 R290 S291 Q296 H297F288-I293 HydrophobicContact CB-CB 4.46Å; F288-I293 HydrophobicContact CB-CG2 4.43Å; F288-I293 HydrophobicContact CD1-CB 4.42Å; F288-I293 HydrophobicContact CD1-CG2 3.53Å; F288-I293 HydrophobicContact CE1-CG2 4.09Å; F288-I293 HydrophobicContact CG-CG2 4.15Å; R290-I293 HydrophobicContact CB-CB 4.37Å; R290-I293 HydrophobicContact CB-CG1 3.89Å; R290-I293 PolarHBondContact O-N 3.17Å; S291-I293 PolarHBondContact O-N 3.05Å; I293-Q296 PolarHBondContact O-N 3.06Å; I293-H297 VanDerWaalsContact O-CB 3.25Å; I293-H297 WeakPolarHBondContact O-CB 3.31Å; I293-H297 PolarHBondContact O-N 2.82Å
294L92.7Very high91.2Very high22 Ų2266.2 Ų66.212%0.11538%0.379CS..Hα-helixtrans-61.8-48.3171.9171.963000111.1G280 C281 F288 R290 S291 Q296 H297 Q298G280-L294 WeakPolarHBondContact O-CD2 3.26Å; C281-L294 HydrophobicContact CB-CD1 3.65Å; F288-L294 HydrophobicContact CD2-CB 3.94Å; F288-L294 HydrophobicContact CD2-CD1 3.82Å; F288-L294 HydrophobicContact CD2-CG 4.5Å; F288-L294 HydrophobicContact CE2-CD1 3.97Å; F288-L294 HydrophobicContact CG-CB 4.48Å; R290-L294 PolarHBondContact O-N 2.74Å; S291-L294 WeakPolarHBondContact O-CA 3.16Å; S291-L294 WeakPolarHBondContact O-CB 3.32Å; S291-L294 PolarHBondContact O-N 3.26Å; L294-Q296 VanDerWaalsContact C-N 3.32Å; L294-Q296 PolarHBondContact O-N 3.41Å; L294-H297 CarbonylContact O-C 3.59Å; L294-H297 WeakPolarHBondContact O-CA 3.43Å; L294-H297 WeakPolarHBondContact O-CB 3.37Å; L294-H297 PolarHBondContact O-N 3.41Å; L294-Q298 HydrophobicContact CD1-CG 4.34Å; L294-Q298 WeakPolarHBondContact O-CG 3.35Å; L294-Q298 PolarHBondContact O-N 2.89Å
295V90.7Very high91.3Very high76 Ų7669.5 Ų69.546%0.46139%0.388SS..Hα-helixtrans-60.1-43.3177.8174.70000111.2S291 H297 Q298S291-V295 PolarHBondContact O-N 3.37Å; V295-H297 VanDerWaalsContact C-N 3.28Å; V295-H297 PolarHBondContact O-N 3.27Å; V295-Q298 PolarHBondContact O-N 3.11Å
296Q91.1Very high91.3Very high64 Ų6469.8 Ų69.830%0.29938%0.378SS..Hα-helixtrans-62.6-37174.2178.5177.468.300112.2S292 I293 L294 R299 Q318S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 3.35Å; S292-Q296 VanDerWaalsContact O-N 3.09Å; I293-Q296 PolarHBondContact O-N 3.06Å; L294-Q296 VanDerWaalsContact C-N 3.32Å; L294-Q296 PolarHBondContact O-N 3.41Å; Q296-R299 WeakPolarHBondContact O-CB 3.47Å; Q296-Q318 VanDerWaalsContact CD-CD 3.48Å; Q296-Q318 HydrophobicContact CG-CG 4.17Å; Q296-Q318 VanDerWaalsContact NE2-CG 3.3Å; Q296-Q318 VanDerWaalsContact NE2-NE2 3.18Å
297H93Very high91.4Very high28 Ų2867.3 Ų67.313%0.1337%0.365CS..Hα-helixtrans-69.3-37.9177.9174.463.5000112.4C284 F288 I293 L294 V295 R299 V300 H301C284-H297 PolarHBondContact SG-NE2 3.37Å; F288-H297 HydrophobicContact CE1-CB 4.24Å; F288-H297 HydrophobicContact CE2-CB 3.87Å; F288-H297 AromaticContact CE2-CD2 3.35Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.43Å; F288-H297 AromaticContact CE2-CG 3.64Å; F288-H297 HydrophobicContact CZ-CB 3.59Å; F288-H297 AromaticContact CZ-CD2 3.37Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.04Å; F288-H297 AromaticContact CZ-CG 3.26Å; F288-H297 AromaticContact CZ-ND1 3.77Å; F288-H297 AromaticContact CZ-NE2 3.87Å; I293-H297 VanDerWaalsContact O-CB 3.25Å; I293-H297 WeakPolarHBondContact O-CB 3.31Å; I293-H297 PolarHBondContact O-N 2.82Å; L294-H297 CarbonylContact O-C 3.59Å; L294-H297 WeakPolarHBondContact O-CA 3.43Å; L294-H297 WeakPolarHBondContact O-CB 3.37Å; L294-H297 PolarHBondContact O-N 3.41Å; V295-H297 VanDerWaalsContact C-N 3.28Å; V295-H297 PolarHBondContact O-N 3.27Å; H297-R299 PolarHBondContact O-N 3.33Å; H297-R299 VanDerWaalsContact O-N 3.16Å; H297-V300 WeakPolarHBondContact O-CB 3.42Å; H297-V300 WeakPolarHBondContact O-CG2 3.21Å; H297-V300 PolarHBondContact O-N 3.32Å; H297-H301 AromaticContact NE2-NE2 3.52Å
298Q91.8Very high91.5Very high73 Ų7372.4 Ų72.434%0.34138%0.38SS..Hα-helixtrans-56.6-31176.7-75.8172.2-42.300112.5L294 V295 V300 H301 T302L294-Q298 HydrophobicContact CD1-CG 4.34Å; L294-Q298 WeakPolarHBondContact O-CG 3.35Å; L294-Q298 PolarHBondContact O-N 2.89Å; V295-Q298 PolarHBondContact O-N 3.11Å; Q298-V300 PolarHBondContact O-N 3.44Å; Q298-V300 VanDerWaalsContact O-N 3.09Å; Q298-H301 WeakPolarHBondContact O-CB 3.27Å; Q298-H301 PolarHBondContact O-N 3.46Å; Q298-T302 PolarHBondContact O-N 3.22Å; Q298-T302 VanDerWaalsContact O-N 3.12Å
299R92.6Very high91.5Very high55 Ų5570.7 Ų70.721%0.20837%0.373CS..Hα-helixtrans-60.9-19.6173.7-60.2-178.8-177.8173.5-0.6114.4Q296 H297 H301 T302 G303 E304 S317Q296-R299 WeakPolarHBondContact O-CB 3.47Å; H297-R299 PolarHBondContact O-N 3.33Å; H297-R299 VanDerWaalsContact O-N 3.16Å; R299-H301 VanDerWaalsContact C-N 3.28Å; R299-T302 WeakPolarHBondContact CA-OG1 3.49Å; R299-G303 WeakPolarHBondContact O-CA 3.21Å; R299-G303 PolarHBondContact O-N 3.32Å; R299-E304 HydrophobicContact CB-CB 4.35Å; R299-E304 HydrophobicContact CG-CB 4.23Å; R299-E304 PolarHBondContact O-N 3.04Å; R299-S317 PolarHBondContact NH1-O 3.07Å
300V91.8Very high91.6Very high106 Ų10676.1 Ų76.164%0.64240%0.399SS*.Hα-helixtrans-69.9-32.7173.7179.60000110.7H297 Q298H297-V300 WeakPolarHBondContact O-CB 3.42Å; H297-V300 WeakPolarHBondContact O-CG2 3.21Å; H297-V300 PolarHBondContact O-N 3.32Å; Q298-V300 PolarHBondContact O-N 3.44Å; Q298-V300 VanDerWaalsContact O-N 3.09Å
301H91.3Very high91.7Very high69 Ų6977.9 Ų77.932%0.31941%0.412SS..Hα-helixtrans-81.7-47.8179.1-68-70.7000112.2E283 C284 H297 Q298 R299 G303E283-H301 WeakPolarHBondContact OE2-CB 3.22Å; E283-H301 IonicContact OE2-CD2 2.81Å; E283-H301 IonicContact OE2-CG 3.02Å; E283-H301 IonicContact OE2-ND1 3.23Å; E283-H301 PolarHBondContact OE2-ND1 2.84Å; C284-H301 PolarHBondContact SG-NE2 3.02Å; C284-H301 VanDerWaalsContact SG-NE2 3.43Å; H297-H301 AromaticContact NE2-NE2 3.52Å; Q298-H301 WeakPolarHBondContact O-CB 3.27Å; Q298-H301 PolarHBondContact O-N 3.46Å; R299-H301 VanDerWaalsContact C-N 3.28Å; H301-G303 PolarHBondContact O-N 3.47Å
302T89.8Confident91.8Very high79 Ų7977.6 Ų77.649%0.48541%0.409SS..Hα-helixtrans-73.5-16.5179.363.10000112.9Q298 R299 E304Q298-T302 PolarHBondContact O-N 3.22Å; Q298-T302 VanDerWaalsContact O-N 3.12Å; R299-T302 WeakPolarHBondContact CA-OG1 3.49Å; T302-E304 PolarHBondContact O-N 3.39Å; T302-E304 WeakPolarHBondContact OG1-CB 3.44Å; T302-E304 VanDerWaalsContact OG1-CG 3.32Å; T302-E304 WeakPolarHBondContact OG1-CG 3.43Å; T302-E304 PolarHBondContact OG1-N 3.08Å
303G90.4Very high91.9Very high45 Ų4576.8 Ų76.846%0.46441%0.412SS..  trans70.68.1-174.800000113.7R299 H301 K305R299-G303 WeakPolarHBondContact O-CA 3.21Å; R299-G303 PolarHBondContact O-N 3.32Å; H301-G303 PolarHBondContact O-N 3.47Å; G303-K305 PolarHBondContact O-N 3.47Å
304E91.6Very high92Very high105 Ų10579.9 Ų79.949%0.49142%0.423SS..  trans-57.8128.4-179.5-80.9177.4-164.100112.1R299 T302 S317R299-E304 HydrophobicContact CB-CB 4.35Å; R299-E304 HydrophobicContact CG-CB 4.23Å; R299-E304 PolarHBondContact O-N 3.04Å; T302-E304 PolarHBondContact O-N 3.39Å; T302-E304 WeakPolarHBondContact OG1-CB 3.44Å; T302-E304 VanDerWaalsContact OG1-CG 3.32Å; T302-E304 WeakPolarHBondContact OG1-CG 3.43Å; T302-E304 PolarHBondContact OG1-N 3.08Å; E304-S317 WeakPolarHBondContact O-CB 3.29Å
305K92.8Very high92Very high120 Ų12080.4 Ų80.452%0.52243%0.431SS..  trans-128.677.6177.4-70.3169.4178.2-179.50110.4G303 Y307 A315 F316G303-K305 PolarHBondContact O-N 3.47Å; K305-Y307 PolarHBondContact O-N 3.26Å; K305-A315 HydrophobicContact CB-CB 3.52Å; K305-A315 HydrophobicContact CD-CB 4.13Å; K305-A315 WeakPolarHBondContact CD-O 3.34Å; K305-A315 HydrophobicContact CG-CB 4.43Å; K305-F316 CarbonylContact C-O 3.29Å; K305-F316 VanDerWaalsContact C-O 3.29Å; K305-F316 VanDerWaalsContact CA-O 3.3Å; K305-F316 WeakPolarHBondContact CA-O 3.46Å
306P90.8Very high92.1Very high70 Ų7079.1 Ų79.146%0.45542%0.419SS..  trans-65.4-22.9-174.3-22.134.6000113.6
307Y94.3Very high92.1Very high75 Ų7578 Ų7829%0.29442%0.418SS..EExtended strand (participates in β ladder)trans-100.499.6-171.1-52.8-75.3000110.8K305 A315 F316 S317 N319K305-Y307 PolarHBondContact O-N 3.26Å; Y307-A315 CarbonylContact O-C 3.56Å; Y307-A315 WeakPolarHBondContact O-CA 3.4Å; Y307-F316 WeakPolarHBondContact CD2-O 3.47Å; Y307-F316 PolarHBondContact N-O 3.24Å; Y307-F316 VanDerWaalsContact N-O 3.08Å; Y307-F316 PolarHBondContact O-N 3.27Å; Y307-S317 WeakPolarHBondContact CE2-O 3.36Å; Y307-N319 HydrophobicContact CD1-CB 3.96Å; Y307-N319 HydrophobicContact CD2-CB 4.47Å; Y307-N319 VanDerWaalsContact CD2-N 3.29Å; Y307-N319 HydrophobicContact CE1-CB 3.79Å; Y307-N319 HydrophobicContact CE2-CB 4.3Å; Y307-N319 VanDerWaalsContact CE2-N 3.31Å; Y307-N319 HydrophobicContact CG-CB 4.3Å
308K93.9Very high92.1Very high144 Ų14480 Ų8063%0.62643%0.428SS*.EExtended strand (participates in β ladder)trans-95.1137.5179.4-63.9-177.4-178.4176.60111.7A315K308-A315 HydrophobicContact CG-CB 3.86Å
309C93.7Very high92.1Very high2 Ų280.4 Ų80.41%0.01443%0.432CS..  trans-79.2123.7168.7-176.90000109.4E311 G313 K314 F316 L322C309-E311 VanDerWaalsContact C-N 3.33Å; C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.95Å; C309-K314 WeakPolarHBondContact CB-O 3.46Å; C309-K314 PolarHBondContact N-O 2.91Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; C309-L322 HydrophobicContact CB-CD1 3.69Å
310L91.9Very high91.9Very high152 Ų15280.9 Ų80.980%0.79644%0.444SS*.THydrogen-bonded Turntrans-72.6-27.5179.6-59.6178.7000112.6
311E91Very high92Very high150 Ų15077 Ų7770%0.70143%0.425SS*.THydrogen-bonded Turntrans-74.8-33.2-178.2-59.8-60.8149.300113.3C309C309-E311 VanDerWaalsContact C-N 3.33Å
312C92.3Very high92.1Very high56 Ų5674.5 Ų74.538%0.37841%0.414SS..THydrogen-bonded Turntrans-135.67.9-17671.90000115.1K314 H325 H329C312-K314 PolarHBondContact O-N 3.08Å; C312-H325 PolarHBondContact SG-NE2 3.46Å; C312-H329 PolarHBondContact SG-NE2 2.87Å
313G90.8Very high92.2Very high56 Ų5674.1 Ų74.158%0.57741%0.409SS*.  trans69.9-5178.900000115.5C309 A315C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.95Å; G313-A315 PolarHBondContact O-N 2.76Å
314K93.5Very high92.2Very high131 Ų13174.3 Ų74.357%0.5740%0.399SS*.  trans-65.5129.7-177.8-75.8-176.4179.5178.40111.6C309 C312 F316C309-K314 WeakPolarHBondContact CB-O 3.46Å; C309-K314 PolarHBondContact N-O 2.91Å; C312-K314 PolarHBondContact O-N 3.08Å; K314-F316 HydrophobicContact CB-CE2 4.01Å; K314-F316 HydrophobicContact CB-CZ 4.2Å; K314-F316 WeakPolarHBondContact O-CE2 3.27Å
315A93.4Very high92.3Very high33 Ų3370.3 Ų70.327%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-101.4145.2-179.400000112.4K305 Y307 K308 G313K305-A315 HydrophobicContact CB-CB 3.52Å; K305-A315 HydrophobicContact CD-CB 4.13Å; K305-A315 WeakPolarHBondContact CD-O 3.34Å; K305-A315 HydrophobicContact CG-CB 4.43Å; Y307-A315 CarbonylContact O-C 3.56Å; Y307-A315 WeakPolarHBondContact O-CA 3.4Å; K308-A315 HydrophobicContact CG-CB 3.86Å; G313-A315 PolarHBondContact O-N 2.76Å
316F92.7Very high92.2Very high49 Ų4968.1 Ų68.122%0.21537%0.372CS..EExtended strand (participates in β ladder)trans-129146.7-178.5-59.7-89.7000110.7K305 Y307 C309 K314 Q318 L322 H325K305-F316 CarbonylContact C-O 3.29Å; K305-F316 VanDerWaalsContact C-O 3.29Å; K305-F316 VanDerWaalsContact CA-O 3.3Å; K305-F316 WeakPolarHBondContact CA-O 3.46Å; Y307-F316 WeakPolarHBondContact CD2-O 3.47Å; Y307-F316 PolarHBondContact N-O 3.24Å; Y307-F316 VanDerWaalsContact N-O 3.08Å; Y307-F316 PolarHBondContact O-N 3.27Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; K314-F316 HydrophobicContact CB-CE2 4.01Å; K314-F316 HydrophobicContact CB-CZ 4.2Å; K314-F316 WeakPolarHBondContact O-CE2 3.27Å; F316-Q318 VanDerWaalsContact C-N 3.31Å; F316-L322 HydrophobicContact CD2-CB 4.03Å; F316-L322 HydrophobicContact CD2-CD1 4.04Å; F316-L322 HydrophobicContact CE2-CD1 4.21Å; F316-L322 HydrophobicContact CG-CB 4.45Å; F316-H325 HydrophobicContact CE1-CB 3.97Å; F316-H325 HydrophobicContact CE2-CB 3.79Å; F316-H325 AromaticContact CE2-CD2 3.43Å; F316-H325 VanDerWaalsContact CE2-CD2 3.43Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.5Å; F316-H325 AromaticContact CE2-CG 3.6Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.53Å; F316-H325 AromaticContact CZ-CG 3.21Å; F316-H325 AromaticContact CZ-ND1 3.71Å
317S91.7Very high92.3Very high41 Ų4166.8 Ų66.829%0.28736%0.358SS..SBendtrans-78.8-16.1176.256.30000113.3R299 E304 Y307R299-S317 PolarHBondContact NH1-O 3.07Å; E304-S317 WeakPolarHBondContact O-CB 3.29Å; Y307-S317 WeakPolarHBondContact CE2-O 3.36Å
318Q91.8Very high92.1Very high70 Ų7068.9 Ų68.933%0.32737%0.373SS..SBendtrans-132.8140-179.4-51.7-172.24.500111.6Q296 F316 S320 G321 L322Q296-Q318 VanDerWaalsContact CD-CD 3.48Å; Q296-Q318 HydrophobicContact CG-CG 4.17Å; Q296-Q318 VanDerWaalsContact NE2-CG 3.3Å; Q296-Q318 VanDerWaalsContact NE2-NE2 3.18Å; F316-Q318 VanDerWaalsContact C-N 3.31Å; Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å; Q318-S320 PolarHBondContact OE1-OG 3.48Å; Q318-G321 PolarHBondContact O-N 3.11Å; Q318-L322 PolarHBondContact O-N 3.47Å
319N91.6Very high92Very high81 Ų8166.1 Ų66.143%0.43336%0.362SS..Hα-helixtrans-61.3-38.4178.2-172.634.9000112.5Y307 G321 L322 I323Y307-N319 HydrophobicContact CD1-CB 3.96Å; Y307-N319 HydrophobicContact CD2-CB 4.47Å; Y307-N319 VanDerWaalsContact CD2-N 3.29Å; Y307-N319 HydrophobicContact CE1-CB 3.79Å; Y307-N319 HydrophobicContact CE2-CB 4.3Å; Y307-N319 VanDerWaalsContact CE2-N 3.31Å; Y307-N319 HydrophobicContact CG-CB 4.3Å; N319-G321 PolarHBondContact O-N 3.44Å; N319-L322 WeakPolarHBondContact O-CB 3.49Å; N319-L322 PolarHBondContact O-N 3.3Å; N319-I323 WeakPolarHBondContact O-CG1 3.33Å; N319-I323 PolarHBondContact O-N 2.87Å
320S90.1Very high91.8Very high64 Ų6470.2 Ų70.245%0.44839%0.387SS..Hα-helixtrans-57.9-34174.954.60000112.6Q318 N324Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å; Q318-S320 PolarHBondContact OE1-OG 3.48Å; S320-N324 WeakPolarHBondContact O-CB 3.44Å; S320-N324 VanDerWaalsContact O-CG 3.29Å; S320-N324 PolarHBondContact O-N 2.81Å; S320-N324 VanDerWaalsContact O-N 3.08Å; S320-N324 PolarHBondContact O-ND2 3.43Å; S320-N324 VanDerWaalsContact O-ND2 3.11Å
321G92.4Very high91.7Very high25 Ų2565.2 Ų65.226%0.25837%0.372SS..Hα-helixtrans-64.8-45.8173.400000111.8Q318 N319 N324 H325Q318-G321 PolarHBondContact O-N 3.11Å; N319-G321 PolarHBondContact O-N 3.44Å; G321-N324 PolarHBondContact O-N 3.05Å; G321-H325 VanDerWaalsContact O-CB 3.25Å; G321-H325 WeakPolarHBondContact O-CB 3.31Å; G321-H325 PolarHBondContact O-N 3.13Å
322L94Very high91.6Very high17 Ų1763.3 Ų63.39%0.08936%0.363CS..Hα-helixtrans-61.3-49.2176.1174.861.8000111.9C309 F316 Q318 N319 N324 H325 Q326C309-L322 HydrophobicContact CB-CD1 3.69Å; F316-L322 HydrophobicContact CD2-CB 4.03Å; F316-L322 HydrophobicContact CD2-CD1 4.04Å; F316-L322 HydrophobicContact CE2-CD1 4.21Å; F316-L322 HydrophobicContact CG-CB 4.45Å; Q318-L322 PolarHBondContact O-N 3.47Å; N319-L322 WeakPolarHBondContact O-CB 3.49Å; N319-L322 PolarHBondContact O-N 3.3Å; L322-N324 VanDerWaalsContact C-N 3.34Å; L322-N324 PolarHBondContact O-N 3.5Å; L322-H325 CarbonylContact O-C 3.3Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 2.81Å; L322-H325 VanDerWaalsContact O-N 3.09Å; L322-Q326 HydrophobicContact CD1-CG 4.2Å; L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.78Å
323I91.8Very high91.6Very high71 Ų7166.8 Ų66.836%0.36437%0.372SS..Hα-helixtrans-60.1-44.4179.2-63-58.7000111.3N319 H325 Q326 R327N319-I323 WeakPolarHBondContact O-CG1 3.33Å; N319-I323 PolarHBondContact O-N 2.87Å; I323-H325 VanDerWaalsContact C-N 3.27Å; I323-H325 PolarHBondContact O-N 3.47Å; I323-Q326 PolarHBondContact O-N 3.03Å; I323-R327 PolarHBondContact O-N 3.26Å
324N90.5Very high91.6Very high49 Ų4967.6 Ų67.626%0.26237%0.367SS..Hα-helixtrans-65.4-33.9176.6-76.8-32.9000112.3S320 G321 L322 R327S320-N324 WeakPolarHBondContact O-CB 3.44Å; S320-N324 VanDerWaalsContact O-CG 3.29Å; S320-N324 PolarHBondContact O-N 2.81Å; S320-N324 VanDerWaalsContact O-N 3.08Å; S320-N324 PolarHBondContact O-ND2 3.43Å; S320-N324 VanDerWaalsContact O-ND2 3.11Å; G321-N324 PolarHBondContact O-N 3.05Å; L322-N324 VanDerWaalsContact C-N 3.34Å; L322-N324 PolarHBondContact O-N 3.5Å; N324-R327 PolarHBondContact OD1-NH1 3.47Å
325H92.9Very high91.5Very high20 Ų2064.9 Ų64.99%0.09335%0.354CS..Hα-helixtrans-70.5-40.4176.4170.768.3000112.2C312 F316 G321 L322 I323 R327 I328 H329C312-H325 PolarHBondContact SG-NE2 3.46Å; F316-H325 HydrophobicContact CE1-CB 3.97Å; F316-H325 HydrophobicContact CE2-CB 3.79Å; F316-H325 AromaticContact CE2-CD2 3.43Å; F316-H325 VanDerWaalsContact CE2-CD2 3.43Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.5Å; F316-H325 AromaticContact CE2-CG 3.6Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.53Å; F316-H325 AromaticContact CZ-CG 3.21Å; F316-H325 AromaticContact CZ-ND1 3.71Å; G321-H325 VanDerWaalsContact O-CB 3.25Å; G321-H325 WeakPolarHBondContact O-CB 3.31Å; G321-H325 PolarHBondContact O-N 3.13Å; L322-H325 CarbonylContact O-C 3.3Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 2.81Å; L322-H325 VanDerWaalsContact O-N 3.09Å; I323-H325 VanDerWaalsContact C-N 3.27Å; I323-H325 PolarHBondContact O-N 3.47Å; H325-R327 PolarHBondContact O-N 3.29Å; H325-R327 VanDerWaalsContact O-N 3.17Å; H325-I328 WeakPolarHBondContact O-CB 2.86Å; H325-I328 WeakPolarHBondContact O-CG1 3.36Å; H325-I328 PolarHBondContact O-N 2.88Å; H325-H329 AromaticContact CE1-NE2 3.79Å; H325-H329 AromaticContact NE2-NE2 3.4Å; H325-H329 PolarHBondContact NE2-NE2 3.25Å
326Q92.1Very high91.5Very high75 Ų7568.8 Ų68.835%0.3537%0.367SS..Hα-helixtrans-57.3-31.1176.3-77.2174.7-23.700112.6L322 I323 I328 H329 T330L322-Q326 HydrophobicContact CD1-CG 4.2Å; L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.78Å; I323-Q326 PolarHBondContact O-N 3.03Å; Q326-I328 PolarHBondContact O-N 3.39Å; Q326-I328 VanDerWaalsContact O-N 3.11Å; Q326-H329 WeakPolarHBondContact O-CB 3.42Å; Q326-H329 PolarHBondContact O-N 3.26Å; Q326-T330 PolarHBondContact O-N 3.37Å; Q326-T330 VanDerWaalsContact O-N 3.13Å
327R92.1Very high91.5Very high42 Ų4266.5 Ų66.516%0.15836%0.356CS..Hα-helixtrans-61.6-18.2173.8-65.2-180-178.3158.13.8114.3I323 N324 H325 T330 G331 E332 S345I323-R327 PolarHBondContact O-N 3.26Å; N324-R327 PolarHBondContact OD1-NH1 3.47Å; H325-R327 PolarHBondContact O-N 3.29Å; H325-R327 VanDerWaalsContact O-N 3.17Å; R327-T330 WeakPolarHBondContact CA-OG1 3.48Å; R327-G331 WeakPolarHBondContact O-CA 3.03Å; R327-G331 PolarHBondContact O-N 3.23Å; R327-E332 HydrophobicContact CG-CB 4.4Å; R327-E332 PolarHBondContact O-N 3.09Å; R327-S345 WeakPolarHBondContact CD-O 3.32Å; R327-S345 PolarHBondContact NH1-O 3.15Å
328I90.8Very high91.4Very high118 Ų11871.2 Ų71.261%0.60538%0.383SS*.Hα-helixtrans-72.8-37.4173.8-57.7173.6000109.9H325 Q326H325-I328 WeakPolarHBondContact O-CB 2.86Å; H325-I328 WeakPolarHBondContact O-CG1 3.36Å; H325-I328 PolarHBondContact O-N 2.88Å; Q326-I328 PolarHBondContact O-N 3.39Å; Q326-I328 VanDerWaalsContact O-N 3.11Å
329H90.2Very high91.2Very high87 Ų8773.3 Ų73.340%0.40339%0.393SS..Hα-helixtrans-72.7-42.6176.8-65.6-67.5000111.7C312 H325 Q326C312-H329 PolarHBondContact SG-NE2 2.87Å; H325-H329 AromaticContact CE1-NE2 3.79Å; H325-H329 AromaticContact NE2-NE2 3.4Å; H325-H329 PolarHBondContact NE2-NE2 3.25Å; Q326-H329 WeakPolarHBondContact O-CB 3.42Å; Q326-H329 PolarHBondContact O-N 3.26Å
330T89.8Confident91.2Very high87 Ų8771.9 Ų71.953%0.53439%0.389SS..Hα-helixtrans-81-16.3-179.563.90000113.5Q326 R327 E332Q326-T330 PolarHBondContact O-N 3.37Å; Q326-T330 VanDerWaalsContact O-N 3.13Å; R327-T330 WeakPolarHBondContact CA-OG1 3.48Å; T330-E332 PolarHBondContact O-N 3.35Å; T330-E332 WeakPolarHBondContact OG1-CG 3.5Å; T330-E332 PolarHBondContact OG1-N 3.47Å
331G89.6Confident91.1Very high48 Ų4870.9 Ų70.950%0.49539%0.388SS..  trans69.47.7-174.300000114.3R327 K333R327-G331 WeakPolarHBondContact O-CA 3.03Å; R327-G331 PolarHBondContact O-N 3.23Å; G331-K333 PolarHBondContact O-N 3.01Å
332E90.7Very high91Very high109 Ų10975 Ų7551%0.50940%0.399SS..  trans-61.8131.5-178.2-77-177.3178.400112.4R327 T330 S345R327-E332 HydrophobicContact CG-CB 4.4Å; R327-E332 PolarHBondContact O-N 3.09Å; T330-E332 PolarHBondContact O-N 3.35Å; T330-E332 WeakPolarHBondContact OG1-CG 3.5Å; T330-E332 PolarHBondContact OG1-N 3.47Å; E332-S345 WeakPolarHBondContact O-CB 3.45Å
333K90.9Very high91Very high129 Ų12976.4 Ų76.456%0.56141%0.41SS*.  trans-128.176.2177.4-68.2174.6179.7179.80111G331 Y335 Y344G331-K333 PolarHBondContact O-N 3.01Å; K333-Y335 PolarHBondContact O-N 3Å; K333-Y344 CarbonylContact C-O 3.5Å; K333-Y344 VanDerWaalsContact C-O 3.3Å; K333-Y344 WeakPolarHBondContact CA-O 3.11Å
334P90.2Very high90.9Very high74 Ų7475.4 Ų75.448%0.48140%0.402SS..  trans-68.9-16.6-172.7-19.833.5000114.4
335Y92.3Very high90.8Very high74 Ų7474.6 Ų74.629%0.2940%0.4SS..EExtended strand (participates in β ladder)trans-105.6101.2-171-54.6-74.3000111.1K333 S343 Y344K333-Y335 PolarHBondContact O-N 3Å; Y335-S343 CarbonylContact O-C 3.49Å; Y335-S343 WeakPolarHBondContact O-CA 3.28Å; Y335-Y344 WeakPolarHBondContact CD2-O 3.37Å; Y335-Y344 PolarHBondContact N-O 3.46Å; Y335-Y344 VanDerWaalsContact N-O 3.12Å; Y335-Y344 PolarHBondContact O-N 3.45Å
336E93.3Very high90.6Very high115 Ų11576.5 Ų76.554%0.53741%0.409SS..EExtended strand (participates in β ladder)trans-98138179.7-171178.2166.300112.4V338E336-V338 PolarHBondContact O-N 3.11Å
337C92.3Very high90.6Very high0 Ų076.3 Ų76.30%042%0.416CS..  trans-80.7110.5170.7-175.40000110.6Q339 C340 G341 K342 Y344 L350C337-Q339 PolarHBondContact O-N 2.83Å; C337-Q339 VanDerWaalsContact O-N 3.13Å; C337-C340 PolarHBondContact O-N 3.05Å; C337-G341 WeakPolarHBondContact O-CA 3.19Å; C337-G341 PolarHBondContact O-N 3.25Å; C337-K342 WeakPolarHBondContact CB-O 3.06Å; C337-K342 PolarHBondContact N-O 3.12Å; C337-Y344 HydrophobicContact CB-CE2 4.49Å; C337-L350 HydrophobicContact CB-CD1 3.57Å
338V89.8Confident90.5Very high140 Ų14077.4 Ų77.485%0.84843%0.43SS*.THydrogen-bonded Turntrans-57.7-29178.5-176.20000113.1E336E336-V338 PolarHBondContact O-N 3.11Å
339Q88Confident90.5Very high115 Ų11573.7 Ų73.754%0.53741%0.412SS..THydrogen-bonded Turntrans-77-28.5-178.2-72.6174-31.400113.8C337 H357C337-Q339 PolarHBondContact O-N 2.83Å; C337-Q339 VanDerWaalsContact O-N 3.13Å; Q339-H357 PolarHBondContact OE1-CD2 3.49Å
340C91.1Very high90.7Very high51 Ų5170.5 Ų70.535%0.34540%0.398SS..THydrogen-bonded Turntrans-140.39.9-173.878.80000115C337 K342 H353 H357C337-C340 PolarHBondContact O-N 3.05Å; C340-K342 PolarHBondContact O-N 3.14Å; C340-K342 VanDerWaalsContact O-N 3.08Å; C340-H353 PolarHBondContact SG-NE2 3.29Å; C340-H357 PolarHBondContact SG-NE2 2.79Å
341G88.8Confident90.7Very high42 Ų4272.8 Ų72.843%0.43340%0.4SS..  trans65.19.5178.200000115.7C337C337-G341 WeakPolarHBondContact O-CA 3.19Å; C337-G341 PolarHBondContact O-N 3.25Å
342K90.8Very high90.8Very high113 Ų11378.8 Ų78.849%0.49141%0.408SS..  trans-80.8124.9-178.2-73.4-178.2-179.4-179.30110.5C337 C340 Y344C337-K342 WeakPolarHBondContact CB-O 3.06Å; C337-K342 PolarHBondContact N-O 3.12Å; C340-K342 PolarHBondContact O-N 3.14Å; C340-K342 VanDerWaalsContact O-N 3.08Å; K342-Y344 HydrophobicContact CB-CE2 3.94Å; K342-Y344 WeakPolarHBondContact O-CD2 3.39Å; K342-Y344 VanDerWaalsContact O-CE2 3.26Å; K342-Y344 WeakPolarHBondContact O-CE2 3.41Å
343S92.3Very high90.8Very high46 Ų4674.2 Ų74.232%0.32239%0.386SS..EExtended strand (participates in β ladder)trans-99.1144.7179.5-50.20000113.1Y335Y335-S343 CarbonylContact O-C 3.49Å; Y335-S343 WeakPolarHBondContact O-CA 3.28Å
344Y89.8Confident90.7Very high50 Ų5071 Ų7120%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-131.1148.9-176.6-59.1-87.3000110.7K333 Y335 C337 K342 Q346 N349 L350 H353K333-Y344 CarbonylContact C-O 3.5Å; K333-Y344 VanDerWaalsContact C-O 3.3Å; K333-Y344 WeakPolarHBondContact CA-O 3.11Å; Y335-Y344 WeakPolarHBondContact CD2-O 3.37Å; Y335-Y344 PolarHBondContact N-O 3.46Å; Y335-Y344 VanDerWaalsContact N-O 3.12Å; Y335-Y344 PolarHBondContact O-N 3.45Å; C337-Y344 HydrophobicContact CB-CE2 4.49Å; K342-Y344 HydrophobicContact CB-CE2 3.94Å; K342-Y344 WeakPolarHBondContact O-CD2 3.39Å; K342-Y344 VanDerWaalsContact O-CE2 3.26Å; K342-Y344 WeakPolarHBondContact O-CE2 3.41Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-N349 HydrophobicContact CD1-CB 3.88Å; Y344-N349 HydrophobicContact CG-CB 4.24Å; Y344-L350 HydrophobicContact CD2-CB 3.94Å; Y344-L350 HydrophobicContact CD2-CD1 3.91Å; Y344-L350 HydrophobicContact CE2-CD1 4.07Å; Y344-L350 HydrophobicContact CG-CB 4.4Å; Y344-H353 HydrophobicContact CE1-CB 4.36Å; Y344-H353 HydrophobicContact CE2-CB 4.02Å; Y344-H353 AromaticContact CE2-CD2 3.66Å; Y344-H353 AromaticContact CE2-CG 3.87Å; Y344-H353 AromaticContact CZ-CD2 3.81Å; Y344-H353 AromaticContact CZ-CG 3.58Å; Y344-H353 WeakPolarHBondContact OH-CB 3.35Å; Y344-H353 PolarHBondContact OH-CD2 2.91Å; Y344-H353 VanDerWaalsContact OH-CD2 3.27Å; Y344-H353 PolarHBondContact OH-CE1 3.38Å; Y344-H353 VanDerWaalsContact OH-CE1 3.32Å; Y344-H353 PolarHBondContact OH-ND1 2.93Å; Y344-H353 PolarHBondContact OH-NE2 2.76Å
345S88.5Confident90.6Very high31 Ų3175.6 Ų75.622%0.21738%0.381CS..SBendtrans-79.1-15.4176.654.70000113.6R327 E332R327-S345 WeakPolarHBondContact CD-O 3.32Å; R327-S345 PolarHBondContact NH1-O 3.15Å; E332-S345 WeakPolarHBondContact O-CB 3.45Å
346Q90.1Very high90.3Very high61 Ų6178.1 Ų78.129%0.28539%0.39SS..SBendtrans-134.1141.4-179.4-60.7179.56.600111.2Y344 S348 N349 L350Y344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 3.47Å; Q346-N349 PolarHBondContact O-N 2.91Å; Q346-L350 PolarHBondContact O-N 3.48Å
347S90.8Very high89.9Confident70 Ų7074.2 Ų74.249%0.4937%0.372SS..Hα-helixtrans-65.9-34.2-180580000113N349 L350 F351S347-N349 VanDerWaalsContact C-N 3.29Å; S347-N349 PolarHBondContact O-N 3.32Å; S347-L350 WeakPolarHBondContact O-CB 3.3Å; S347-L350 PolarHBondContact O-N 2.84Å; S347-F351 PolarHBondContact O-N 3.4Å
348S90.6Very high89Confident65 Ų6578.2 Ų78.246%0.45539%0.394SS..Hα-helixtrans-60-39.4175.654.10000112.2Q346 F351 R352Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 3.47Å; S348-F351 PolarHBondContact O-N 3.15Å; S348-R352 WeakPolarHBondContact O-CB 3.5Å; S348-R352 PolarHBondContact O-N 3.29Å
349N91.5Very high88.2Confident40 Ų4074 Ų7421%0.21437%0.373CS..Hα-helixtrans-67.1-42.2175.9-73.5-32.5000111.6Y344 Q346 S347 R352 H353Y344-N349 HydrophobicContact CD1-CB 3.88Å; Y344-N349 HydrophobicContact CG-CB 4.24Å; Q346-N349 PolarHBondContact O-N 2.91Å; S347-N349 VanDerWaalsContact C-N 3.29Å; S347-N349 PolarHBondContact O-N 3.32Å; N349-R352 PolarHBondContact O-N 3.39Å; N349-R352 PolarHBondContact OD1-NH2 2.99Å; N349-H353 WeakPolarHBondContact O-CB 3.36Å; N349-H353 PolarHBondContact O-N 3.48Å
350L92.6Very high87Confident21 Ų2173 Ų7311%0.1137%0.369CS..Hα-helixtrans-60.2-48173.1172.862.5000111.2C337 Y344 Q346 S347 R352 H353 Q354C337-L350 HydrophobicContact CB-CD1 3.57Å; Y344-L350 HydrophobicContact CD2-CB 3.94Å; Y344-L350 HydrophobicContact CD2-CD1 3.91Å; Y344-L350 HydrophobicContact CE2-CD1 4.07Å; Y344-L350 HydrophobicContact CG-CB 4.4Å; Q346-L350 PolarHBondContact O-N 3.48Å; S347-L350 WeakPolarHBondContact O-CB 3.3Å; S347-L350 PolarHBondContact O-N 2.84Å; L350-R352 PolarHBondContact O-N 2.86Å; L350-H353 WeakPolarHBondContact O-CB 3.38Å; L350-H353 PolarHBondContact O-N 3.27Å; L350-H353 VanDerWaalsContact O-N 3.15Å; L350-Q354 HydrophobicContact CD1-CG 4Å; L350-Q354 HydrophobicContact CG-CG 4.35Å; L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.23Å
351F90.9Very high85.7Confident134 Ų13477.3 Ų77.359%0.58838%0.381SS*.Hα-helixtrans-61.3-45.4-179.6-175.4-100.1000111.8S347 S348 H353 Q354 R355S347-F351 PolarHBondContact O-N 3.4Å; S348-F351 PolarHBondContact O-N 3.15Å; F351-H353 VanDerWaalsContact C-N 3.28Å; F351-H353 PolarHBondContact O-N 3.44Å; F351-Q354 PolarHBondContact O-N 2.96Å; F351-R355 HydrophobicContact CE1-CG 4.29Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.79Å
352R90.8Very high84.3Confident174 Ų17481.1 Ų81.166%0.65739%0.391SS*.Hα-helixtrans-58.8-41.3174.3178.1170.558.4174.8-3.3111.7S348 N349 L350 R355S348-R352 WeakPolarHBondContact O-CB 3.5Å; S348-R352 PolarHBondContact O-N 3.29Å; N349-R352 PolarHBondContact O-N 3.39Å; N349-R352 PolarHBondContact OD1-NH2 2.99Å; L350-R352 PolarHBondContact O-N 2.86Å; R352-R355 PolarHBondContact O-N 3.16Å
353H91.4Very high82.9Confident13 Ų1381.1 Ų81.16%0.0640%0.396CS..Hα-helixtrans-65.5-44176169.371.8000112.5C340 Y344 N349 L350 F351 R355 R356 H357C340-H353 PolarHBondContact SG-NE2 3.29Å; Y344-H353 HydrophobicContact CE1-CB 4.36Å; Y344-H353 HydrophobicContact CE2-CB 4.02Å; Y344-H353 AromaticContact CE2-CD2 3.66Å; Y344-H353 AromaticContact CE2-CG 3.87Å; Y344-H353 AromaticContact CZ-CD2 3.81Å; Y344-H353 AromaticContact CZ-CG 3.58Å; Y344-H353 WeakPolarHBondContact OH-CB 3.35Å; Y344-H353 PolarHBondContact OH-CD2 2.91Å; Y344-H353 VanDerWaalsContact OH-CD2 3.27Å; Y344-H353 PolarHBondContact OH-CE1 3.38Å; Y344-H353 VanDerWaalsContact OH-CE1 3.32Å; Y344-H353 PolarHBondContact OH-ND1 2.93Å; Y344-H353 PolarHBondContact OH-NE2 2.76Å; N349-H353 WeakPolarHBondContact O-CB 3.36Å; N349-H353 PolarHBondContact O-N 3.48Å; L350-H353 WeakPolarHBondContact O-CB 3.38Å; L350-H353 PolarHBondContact O-N 3.27Å; L350-H353 VanDerWaalsContact O-N 3.15Å; F351-H353 VanDerWaalsContact C-N 3.28Å; F351-H353 PolarHBondContact O-N 3.44Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3.43Å; H353-R356 PolarHBondContact CE1-NH2 3.41Å; H353-R356 PolarHBondContact ND1-NH2 2.86Å; H353-R356 VanDerWaalsContact O-CB 3.31Å; H353-R356 WeakPolarHBondContact O-CB 3.42Å; H353-R356 PolarHBondContact O-N 3.22Å; H353-H357 AromaticContact CD2-NE2 3.82Å; H353-H357 AromaticContact CE1-NE2 3.38Å; H353-H357 PolarHBondContact CE1-NE2 3.32Å; H353-H357 AromaticContact NE2-CD2 3.7Å; H353-H357 AromaticContact NE2-CE1 4Å; H353-H357 AromaticContact NE2-NE2 2.99Å; H353-H357 PolarHBondContact NE2-NE2 3.23Å
354Q89.6Confident81.2Confident62 Ų6284.1 Ų84.129%0.2941%0.409SS..Hα-helixtrans-61.1-32.5177.6-75.5173.9-23.100112.8L350 F351 R356 H357 N358L350-Q354 HydrophobicContact CD1-CG 4Å; L350-Q354 HydrophobicContact CG-CG 4.35Å; L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.23Å; F351-Q354 PolarHBondContact O-N 2.96Å; Q354-R356 PolarHBondContact O-N 3.19Å; Q354-H357 PolarHBondContact O-N 2.97Å; Q354-N358 PolarHBondContact O-N 2.79Å; Q354-N358 VanDerWaalsContact O-N 3.12Å
355R88.3Confident79.7Confident170 Ų17086.7 Ų86.764%0.64243%0.429SS*.Hα-helixtrans-59-31.2173.1-71.2-174.168.1-171.40.4112.9F351 R352 H353 N358 A359F351-R355 HydrophobicContact CE1-CG 4.29Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.79Å; R352-R355 PolarHBondContact O-N 3.16Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3.43Å; R355-N358 PolarHBondContact O-N 3.39Å; R355-A359 WeakPolarHBondContact O-CB 3.35Å; R355-A359 PolarHBondContact O-N 3.4Å
356R85.1Confident78.2Confident127 Ų12791.3 Ų91.348%0.47946%0.456SS..Hα-helixtrans-67.6-43.3176.9-175.5172.762.7-161.20.3111.5H353 Q354 N358 A359 E360H353-R356 PolarHBondContact CE1-NH2 3.41Å; H353-R356 PolarHBondContact ND1-NH2 2.86Å; H353-R356 VanDerWaalsContact O-CB 3.31Å; H353-R356 WeakPolarHBondContact O-CB 3.42Å; H353-R356 PolarHBondContact O-N 3.22Å; Q354-R356 PolarHBondContact O-N 3.19Å; R356-N358 VanDerWaalsContact C-N 3.28Å; R356-N358 PolarHBondContact O-N 3.3Å; R356-A359 PolarHBondContact O-N 3Å; R356-A359 VanDerWaalsContact O-N 3.16Å; R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 WeakPolarHBondContact CG-OE1 3.14Å; R356-E360 WeakPolarHBondContact O-CG 3.24Å; R356-E360 PolarHBondContact O-N 3.11Å
357H84.1Confident76.3Confident33 Ų3397 Ų9715%0.15348%0.479CS..Hα-helixtrans-61.3-38.8174.4-66.3-57.9000112.1Q339 C340 H353 Q354 K361Q339-H357 PolarHBondContact OE1-CD2 3.49Å; C340-H357 PolarHBondContact SG-NE2 2.79Å; H353-H357 AromaticContact CD2-NE2 3.82Å; H353-H357 AromaticContact CE1-NE2 3.38Å; H353-H357 PolarHBondContact CE1-NE2 3.32Å; H353-H357 AromaticContact NE2-CD2 3.7Å; H353-H357 AromaticContact NE2-CE1 4Å; H353-H357 AromaticContact NE2-NE2 2.99Å; H353-H357 PolarHBondContact NE2-NE2 3.23Å; Q354-H357 PolarHBondContact O-N 2.97Å; H357-K361 VanDerWaalsContact O-CB 3.26Å; H357-K361 WeakPolarHBondContact O-CB 3.37Å; H357-K361 PolarHBondContact O-N 3.4Å
358N74Confident74.1Confident85 Ų85102.5 Ų102.546%0.45551%0.51SS..Hα-helixtrans-68.1-36175.6-71.2-12.3000112.4Q354 R355 R356 L362Q354-N358 PolarHBondContact O-N 2.79Å; Q354-N358 VanDerWaalsContact O-N 3.12Å; R355-N358 PolarHBondContact O-N 3.39Å; R356-N358 VanDerWaalsContact C-N 3.28Å; R356-N358 PolarHBondContact O-N 3.3Å; N358-L362 WeakPolarHBondContact O-CG 3.28Å; N358-L362 PolarHBondContact O-N 3.17Å; N358-L362 VanDerWaalsContact O-N 3.09Å
359A72.4Confident73.3Confident51 Ų51104.4 Ų104.442%0.42151%0.513SS..Hα-helixtrans-68.7-42.4175.500000112.1R355 R356 K361 L362 L363R355-A359 WeakPolarHBondContact O-CB 3.35Å; R355-A359 PolarHBondContact O-N 3.4Å; R356-A359 PolarHBondContact O-N 3Å; R356-A359 VanDerWaalsContact O-N 3.16Å; A359-K361 VanDerWaalsContact C-N 3.34Å; A359-L362 PolarHBondContact O-N 3.44Å; A359-L363 WeakPolarHBondContact O-CG 3.4Å; A359-L363 PolarHBondContact O-N 3.18Å; A359-L363 VanDerWaalsContact O-N 3.1Å
360E64.3Low72.3Confident95 Ų95107.7 Ų107.744%0.44453%0.528SS..Hα-helixtrans-64.2-38.9174.5-71.8169.6-170.600111.4R356 L363 N364R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 WeakPolarHBondContact CG-OE1 3.14Å; R356-E360 WeakPolarHBondContact O-CG 3.24Å; R356-E360 PolarHBondContact O-N 3.11Å; E360-L363 PolarHBondContact O-N 2.8Å; E360-N364 PolarHBondContact O-N 3.43Å; E360-N364 PolarHBondContact O-ND2 3.28Å
361K63.2Low71.2Confident140 Ų140112.6 Ų112.661%0.60955%0.551SS**Hα-helixtrans-63.9-39.6175.5-169.4175.6-179-1790112.6H357 A359 V365H357-K361 VanDerWaalsContact O-CB 3.26Å; H357-K361 WeakPolarHBondContact O-CB 3.37Å; H357-K361 PolarHBondContact O-N 3.4Å; A359-K361 VanDerWaalsContact C-N 3.34Å; K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 3.46Å
362L60.4Low70.1Confident122 Ų122111.3 Ų111.364%0.63955%0.549SS*.Hα-helixtrans-71.7-36.3178-71171.1000112.7N358 A359 N364 V365 V366N358-L362 WeakPolarHBondContact O-CG 3.28Å; N358-L362 PolarHBondContact O-N 3.17Å; N358-L362 VanDerWaalsContact O-N 3.09Å; A359-L362 PolarHBondContact O-N 3.44Å; L362-N364 VanDerWaalsContact C-N 3.3Å; L362-N364 PolarHBondContact O-N 3.39Å; L362-V365 PolarHBondContact O-N 3.37Å; L362-V366 PolarHBondContact O-N 3.29Å
363L60.6Low68.8Low114 Ų114107.4 Ų107.460%0.59754%0.543SS*.Hα-helixtrans-66.8-30.3175.7-72170.4000113A359 E360A359-L363 WeakPolarHBondContact O-CG 3.4Å; A359-L363 PolarHBondContact O-N 3.18Å; A359-L363 VanDerWaalsContact O-N 3.1Å; E360-L363 PolarHBondContact O-N 2.8Å
364N56.4Low67.2Low109 Ų109113.7 Ų113.758%0.58358%0.575SS**Hα-helixtrans-78.8-17176.2-68.6-21.1000113.5E360 L362E360-N364 PolarHBondContact O-N 3.43Å; E360-N364 PolarHBondContact O-ND2 3.28Å; L362-N364 VanDerWaalsContact C-N 3.3Å; L362-N364 PolarHBondContact O-N 3.39Å
365V57.8Low65.7Low103 Ų103117.4 Ų117.462%0.62460%0.595SS**Hα-helixtrans-83.3-27.6175.1172.40000111.9K361 L362 K367K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 3.46Å; L362-V365 PolarHBondContact O-N 3.37Å; V365-K367 VanDerWaalsContact C-N 3.33Å
366V56.6Low63.9Low129 Ų129113.3 Ų113.378%0.78259%0.592SS**THydrogen-bonded Turntrans-84.2-8.6179-178.10000112.5L362L362-V366 PolarHBondContact O-N 3.29Å
367K50.4Low62.1Low179 Ų179112.2 Ų112.278%0.77860%0.601SS**THydrogen-bonded Turntrans-100.111.7179.7-78.2-173.6176.1-179.80114.6V365V365-K367 VanDerWaalsContact C-N 3.33Å
368V45.7Very low60.1Low186 Ų186119.4 Ų119.4100%1.12764%0.642SS**  trans-101.90178.2-1790000110.8

Retrieved 368 of 368 residues in 136.5 ms (Link to these results)