A0A087WRQ1_MOUSE Loading...

RIKEN cDNA 1700017N19 gene

AlphaFold DB , UniProt , Accession A0A087WRQ1, Species MOUSE (Mus musculus, Mouse), Gene 1700017N19Rik, Length 414 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
1M38.3Very low64.9Low243 Ų243117.5 Ų117.5100%1.19762%0.618SS**  099.20-82170.4174.200106.7M3M1-M3 PolarHBondContact O-N 3.49Å
2E44.3Very low66.9Low185 Ų185118.6 Ų118.686%0.86461%0.614SS**  trans-68.9120.8174.9-77.7174.8137.400108.7Q4E2-Q4 PolarHBondContact O-N 2.87Å
3M46.6Very low68.8Low172 Ų172121.1 Ų121.185%0.84761%0.611SS**  trans-80.472.5171.2-69.7-159.3164.100108.9M1 Q5M1-M3 PolarHBondContact O-N 3.49Å; M3-Q5 PolarHBondContact O-N 2.84Å
4Q55Low70.2Confident121 Ų121114.8 Ų114.857%0.56558%0.578SS**  trans-7675.1163.8-139.9178.8-14.300107.1E2 N6E2-Q4 PolarHBondContact O-N 2.87Å; Q4-N6 VanDerWaalsContact C-N 3.31Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.08Å; Q4-N6 PolarHBondContact O-N 2.89Å; Q4-N6 VanDerWaalsContact O-N 3.09Å; Q4-N6 PolarHBondContact O-OD1 3.26Å; Q4-N6 VanDerWaalsContact O-OD1 3.08Å
5Q56.3Low71.1Confident142 Ų142114.9 Ų114.966%0.66459%0.588SS**  trans-74.596165.4-75.8-160-1.100106.8M3 C7M3-Q5 PolarHBondContact O-N 2.84Å; Q5-C7 VanDerWaalsContact C-N 3.26Å; Q5-C7 PolarHBondContact O-N 2.94Å
6N61.3Low72.1Confident83 Ų83112.2 Ų112.244%0.44457%0.572SS.*  trans-72.286.1175.4-54.5-3000106.9Q4 S8Q4-N6 VanDerWaalsContact C-N 3.31Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.08Å; Q4-N6 PolarHBondContact O-N 2.89Å; Q4-N6 VanDerWaalsContact O-N 3.09Å; Q4-N6 PolarHBondContact O-OD1 3.26Å; Q4-N6 VanDerWaalsContact O-OD1 3.08Å; N6-S8 PolarHBondContact O-N 3.11Å
7C68Low72.6Confident37 Ų37113.2 Ų113.225%0.2559%0.587CS.*  trans-62.4133.9168.3-680000108.1Q5 I9 I26 Y28Q5-C7 VanDerWaalsContact C-N 3.26Å; Q5-C7 PolarHBondContact O-N 2.94Å; C7-I9 PolarHBondContact O-N 2.93Å; C7-I26 WeakPolarHBondContact CB-O 3.47Å; C7-I26 PolarHBondContact SG-O 2.96Å; C7-Y28 WeakPolarHBondContact O-CB 3.38Å
8S77.2Confident73.2Confident121 Ų121115.6 Ų115.685%0.84660%0.6SS**SBendtrans-73.2-5.7175.554.20000113.5N6N6-S8 PolarHBondContact O-N 3.11Å
9I86.9Confident74Confident107 Ų107110.8 Ų110.855%0.54958%0.583SS.*SBendtrans-93.4123.1-175.2-57.5170.6000109.1C7 F27 Y28C7-I9 PolarHBondContact O-N 2.93Å; I9-F27 HydrophobicContact CB-CD1 4.24Å; I9-F27 HydrophobicContact CG2-CD1 4.16Å; I9-F27 HydrophobicContact CG2-CE1 4.41Å; I9-Y28 WeakPolarHBondContact O-CB 3.35Å; I9-Y28 PolarHBondContact O-N 3.07Å
10S88.3Confident74.8Confident80 Ų80105.9 Ų105.956%0.55956%0.557SS**BIsolated β-bridgetrans-59.5140.817656.60000112.4F12 Y28S10-F12 PolarHBondContact O-N 3.06Å; S10-Y28 CarbonylContact C-O 3.58Å
11C91.6Very high75.6Confident2 Ų2105.9 Ų105.91%0.01456%0.561CS.*PPolyproline II helixtrans-69.4118.7175.4-172.30000110.2W13 E14 C20 C25 F27 Y28 H29C11-W13 PolarHBondContact O-N 3.24Å; C11-E14 HydrophobicContact CB-CB 4.31Å; C11-E14 VanDerWaalsContact O-CB 3.28Å; C11-E14 WeakPolarHBondContact O-CB 3.27Å; C11-E14 PolarHBondContact O-N 2.7Å; C11-C20 VanDerWaalsContact SG-SG 3.69Å; C11-C25 VanDerWaalsContact SG-SG 3.62Å; C11-F27 HydrophobicContact CB-CB 3.66Å; C11-Y28 WeakPolarHBondContact CB-O 3.39Å; C11-Y28 PolarHBondContact N-O 2.9Å; C11-H29 WeakPolarHBondContact CB-CE1 2.94Å; C11-H29 PolarHBondContact SG-CE1 3.28Å
12F89.5Confident78Confident130 Ų130100.5 Ų100.557%0.5753%0.531SS*.G310 helixtrans-55-35175.3175.6-99.7000113.5S10 E14 T15S10-F12 PolarHBondContact O-N 3.06Å; F12-E14 PolarHBondContact O-N 3.27Å; F12-T15 PolarHBondContact O-OG1 3.09Å; F12-T15 VanDerWaalsContact O-OG1 3.12Å
13W90.9Very high80Confident151 Ų15195.6 Ų95.657%0.57251%0.51SS*.G310 helixtrans-76.7-8.8-178.2-62.8101.1000113.6C11 T15 Q16 G19 C20C11-W13 PolarHBondContact O-N 3.24Å; W13-T15 VanDerWaalsContact C-N 3.31Å; W13-Q16 HydrophobicContact CE3-CB 4.25Å; W13-Q16 HydrophobicContact CE3-CG 3.72Å; W13-Q16 HydrophobicContact CZ3-CG 4.21Å; W13-Q16 PolarHBondContact O-N 3.08Å; W13-G19 CarbonylContact O-C 3.07Å; W13-G19 WeakPolarHBondContact O-CA 3.4Å; W13-C20 HydrophobicContact CB-CB 3.92Å; W13-C20 PolarHBondContact O-N 3.41Å
14E88.3Confident81.9Confident33 Ų3391.9 Ų91.915%0.15450%0.501CS..G310 helixtrans-69.8-29.1176.9-171.7175.8178.800112.7C11 F12 Q16 H29 S30 K31C11-E14 HydrophobicContact CB-CB 4.31Å; C11-E14 VanDerWaalsContact O-CB 3.28Å; C11-E14 WeakPolarHBondContact O-CB 3.27Å; C11-E14 PolarHBondContact O-N 2.7Å; F12-E14 PolarHBondContact O-N 3.27Å; E14-Q16 VanDerWaalsContact C-N 3.29Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.36Å; E14-H29 IonicContact OE2-ND1 3.53Å; E14-S30 WeakPolarHBondContact OE1-CA 3.28Å; E14-S30 WeakPolarHBondContact OE1-CB 3.08Å; E14-S30 PolarHBondContact OE1-N 2.92Å; E14-S30 PolarHBondContact OE1-OG 3.1Å; E14-S30 PolarHBondContact OE2-N 2.89Å; E14-K31 PolarHBondContact OE1-N 2.75Å
15T83.6Confident83.5Confident117 Ų11787.3 Ų87.372%0.71848%0.482SS*.G310 helixtrans-85.5-3.7177.359.40000113.1F12 W13F12-T15 PolarHBondContact O-OG1 3.09Å; F12-T15 VanDerWaalsContact O-OG1 3.12Å; W13-T15 VanDerWaalsContact C-N 3.31Å
16Q87.7Confident85Confident71 Ų7185.2 Ų85.233%0.33247%0.474SS..SBendtrans-84.4150.3-179.7-62.4-61.9-25.700110.4W13 E14 L18 G19W13-Q16 HydrophobicContact CE3-CB 4.25Å; W13-Q16 HydrophobicContact CE3-CG 3.72Å; W13-Q16 HydrophobicContact CZ3-CG 4.21Å; W13-Q16 PolarHBondContact O-N 3.08Å; E14-Q16 VanDerWaalsContact C-N 3.29Å; Q16-L18 PolarHBondContact O-N 2.93Å; Q16-L18 VanDerWaalsContact O-N 3.16Å; Q16-G19 PolarHBondContact O-N 3.01Å
17P80.9Confident86.3Confident129 Ų12985.4 Ų85.484%0.83847%0.472SS*.THydrogen-bonded Turntrans-60.4-29.1-177.922.5-33.4000113.1G19P17-G19 VanDerWaalsContact C-N 3.35Å
18L83.5Confident87.2Confident156 Ų15687 Ų8782%0.81747%0.473SS*.THydrogen-bonded Turntrans-83.2-11176-64.4176.4000113.5Q16Q16-L18 PolarHBondContact O-N 2.93Å; Q16-L18 VanDerWaalsContact O-N 3.16Å
19G87.5Confident87.8Confident26 Ų2681.4 Ų81.427%0.26843%0.433SS..  trans62.4-176.8-174.200000113.7W13 Q16 P17 V21W13-G19 CarbonylContact O-C 3.07Å; W13-G19 WeakPolarHBondContact O-CA 3.4Å; Q16-G19 PolarHBondContact O-N 3.01Å; P17-G19 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 3.41Å
20C91.1Very high87.8Confident11 Ų1179.4 Ų79.47%0.07443%0.429CS..  trans-87.5108.6175.3-174.70000111.5C11 W13 K22 C25 H29 R33C11-C20 VanDerWaalsContact SG-SG 3.69Å; W13-C20 HydrophobicContact CB-CB 3.92Å; W13-C20 PolarHBondContact O-N 3.41Å; C20-K22 VanDerWaalsContact C-N 3.34Å; C20-C25 VanDerWaalsContact SG-SG 3.66Å; C20-H29 WeakPolarHBondContact CB-CE1 3.15Å; C20-R33 WeakPolarHBondContact O-CD 3.49Å; C20-R33 PolarHBondContact O-NH1 3.33Å
21V90.6Very high87.7Confident107 Ų10782 Ų8265%0.64843%0.43SS*.  trans-84.8-2.7178.6-60.40000114.4G19 I23G19-V21 PolarHBondContact O-N 3.41Å; V21-I23 PolarHBondContact O-N 3.42Å
22K89.1Confident87.5Confident130 Ų13085.2 Ų85.257%0.56545%0.451SS*.  trans-80.1107.7-180-171.7174.2-179176.10109.6C20 S24 C25 R33C20-K22 VanDerWaalsContact C-N 3.34Å; K22-S24 VanDerWaalsContact C-N 3.34Å; K22-S24 WeakPolarHBondContact CE-O 3.33Å; K22-S24 PolarHBondContact O-N 2.99Å; K22-C25 HydrophobicContact CB-CB 4.3Å; K22-C25 WeakPolarHBondContact O-CB 3.46Å; K22-C25 PolarHBondContact O-N 3.05Å; K22-C25 VanDerWaalsContact O-N 3.12Å; K22-R33 PolarHBondContact O-NH1 3.27Å
23I86.2Confident87.6Confident81 Ų8180.5 Ų80.542%0.41543%0.429SS..THydrogen-bonded Turntrans-51.4-55.1-179.2-60.5172.4000110.3V21 C25 R33 I35 L38 L40V21-I23 PolarHBondContact O-N 3.42Å; I23-C25 VanDerWaalsContact C-N 3.29Å; I23-C25 PolarHBondContact O-N 3.47Å; I23-C25 VanDerWaalsContact O-N 3.16Å; I23-R33 PolarHBondContact O-NH2 2.75Å; I23-I35 HydrophobicContact CD1-CG2 4.38Å; I23-I35 HydrophobicContact CG1-CB 4.28Å; I23-I35 HydrophobicContact CG1-CD1 4.15Å; I23-I35 HydrophobicContact CG1-CG2 3.83Å; I23-L38 HydrophobicContact CG2-CD2 3.99Å; I23-L40 HydrophobicContact CB-CD1 4.43Å; I23-L40 HydrophobicContact CG2-CD1 4.07Å; I23-L40 HydrophobicContact CG2-CD2 4.43Å; I23-L40 WeakPolarHBondContact O-CD1 3.25Å
24S85.4Confident87.4Confident94 Ų9478.7 Ų78.766%0.65743%0.431SS*.THydrogen-bonded Turntrans-89.954.4176.2-41.30000112K22 I26K22-S24 VanDerWaalsContact C-N 3.34Å; K22-S24 WeakPolarHBondContact CE-O 3.33Å; K22-S24 PolarHBondContact O-N 2.99Å; S24-I26 PolarHBondContact O-N 3.41Å
25C88.9Confident87.4Confident25 Ų2577.8 Ų77.817%0.16943%0.427CS..  trans-69.8126.2171.2-167.50000109.2C11 C20 K22 I23 F27 H29C11-C25 VanDerWaalsContact SG-SG 3.62Å; C20-C25 VanDerWaalsContact SG-SG 3.66Å; K22-C25 HydrophobicContact CB-CB 4.3Å; K22-C25 WeakPolarHBondContact O-CB 3.46Å; K22-C25 PolarHBondContact O-N 3.05Å; K22-C25 VanDerWaalsContact O-N 3.12Å; I23-C25 VanDerWaalsContact C-N 3.29Å; I23-C25 PolarHBondContact O-N 3.47Å; I23-C25 VanDerWaalsContact O-N 3.16Å; C25-F27 VanDerWaalsContact C-N 3.29Å; C25-H29 WeakPolarHBondContact CB-NE2 3.27Å; C25-H29 PolarHBondContact SG-NE2 2.63Å
26I88.2Confident87.6Confident98 Ų9880 Ų8050%0.50343%0.434SS..  trans-78.9-17.2177.561.1172.2000112.2C7 S24C7-I26 WeakPolarHBondContact CB-O 3.47Å; C7-I26 PolarHBondContact SG-O 2.96Å; S24-I26 PolarHBondContact O-N 3.41Å
27F88.4Confident87.5Confident88 Ų8879.7 Ų79.739%0.38645%0.45SS..SBendtrans-82.9156.1-178.2-63-75.7000111.5I9 C11 C25 H29I9-F27 HydrophobicContact CB-CD1 4.24Å; I9-F27 HydrophobicContact CG2-CD1 4.16Å; I9-F27 HydrophobicContact CG2-CE1 4.41Å; C11-F27 HydrophobicContact CB-CB 3.66Å; C25-F27 VanDerWaalsContact C-N 3.29Å; F27-H29 PolarHBondContact O-CD2 3.05Å; F27-H29 VanDerWaalsContact O-CD2 3.29Å
28Y88.4Confident87.8Confident70 Ų7077.7 Ų77.728%0.27543%0.432SS..BIsolated β-bridgetrans-65.9133.9-179.7177.2-96.4000112.1C7 I9 S10 C11 S43 S44C7-Y28 WeakPolarHBondContact O-CB 3.38Å; I9-Y28 WeakPolarHBondContact O-CB 3.35Å; I9-Y28 PolarHBondContact O-N 3.07Å; S10-Y28 CarbonylContact C-O 3.58Å; C11-Y28 WeakPolarHBondContact CB-O 3.39Å; C11-Y28 PolarHBondContact N-O 2.9Å; Y28-S43 VanDerWaalsContact CA-OG 3.28Å; Y28-S43 WeakPolarHBondContact CA-OG 3.43Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.28Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.46Å; Y28-S44 VanDerWaalsContact CE2-OG 3.27Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.48Å; Y28-S44 PolarHBondContact OH-OG 3.21Å
29H89.7Confident88.1Confident3 Ų376.4 Ų76.41%0.01442%0.42CS..  trans-119.4119.1173.8-72.4-65.2000111.1C11 E14 C20 C25 F27 R33 P42 S43C11-H29 WeakPolarHBondContact CB-CE1 2.94Å; C11-H29 PolarHBondContact SG-CE1 3.28Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.36Å; E14-H29 IonicContact OE2-ND1 3.53Å; C20-H29 WeakPolarHBondContact CB-CE1 3.15Å; C25-H29 WeakPolarHBondContact CB-NE2 3.27Å; C25-H29 PolarHBondContact SG-NE2 2.63Å; F27-H29 PolarHBondContact O-CD2 3.05Å; F27-H29 VanDerWaalsContact O-CD2 3.29Å; H29-R33 PolarHBondContact CD2-NE 2.84Å; H29-P42 CarbonylContact O-C 3.55Å; H29-P42 WeakPolarHBondContact O-CA 3.27Å; H29-P42 WeakPolarHBondContact O-CB 3.27Å; H29-S43 PolarHBondContact N-OG 3.42Å; H29-S43 PolarHBondContact O-N 3.44Å; H29-S43 PolarHBondContact O-OG 2.8Å
30S85.8Confident88.1Confident65 Ų6576.6 Ų76.646%0.45542%0.415SS..SBendtrans-80.3-29.8176.969.80000112.8E14 P42E14-S30 WeakPolarHBondContact OE1-CA 3.28Å; E14-S30 WeakPolarHBondContact OE1-CB 3.08Å; E14-S30 PolarHBondContact OE1-N 2.92Å; E14-S30 PolarHBondContact OE1-OG 3.1Å; E14-S30 PolarHBondContact OE2-N 2.89Å; S30-P42 WeakPolarHBondContact O-CB 3.23Å
31K86.7Confident87.9Confident136 Ų13680.1 Ų80.159%0.59144%0.438SS*.SBendtrans-106.2146.6-178.7-64.9172.1-174175.90111.1E14E14-K31 PolarHBondContact OE1-N 2.75Å
32P87.9Confident87.7Confident68 Ų6877.1 Ų77.144%0.44242%0.42SS..  trans-62.4151.5170.226.7-32.3000110.3F39 L40P32-F39 HydrophobicContact CB-CD2 4.47Å; P32-F39 HydrophobicContact CB-CE1 4.27Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 VanDerWaalsContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.37Å; P32-F39 HydrophobicContact CG-CE2 4.15Å; P32-F39 HydrophobicContact CG-CZ 4.11Å; P32-L40 CarbonylContact C-O 3.54Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.49Å
33R89.9Confident87.3Confident31 Ų3172.2 Ų72.212%0.11740%0.402CS..EExtended strand (participates in β ladder)trans-122.2137.4-179.3-59-178.9-67.4140.1-1.3109.7C20 K22 I23 H29 I35 L40C20-R33 WeakPolarHBondContact O-CD 3.49Å; C20-R33 PolarHBondContact O-NH1 3.33Å; K22-R33 PolarHBondContact O-NH1 3.27Å; I23-R33 PolarHBondContact O-NH2 2.75Å; H29-R33 PolarHBondContact CD2-NE 2.84Å; R33-I35 HydrophobicContact CB-CD1 4.43Å; R33-I35 HydrophobicContact CB-CG1 4.38Å; R33-L40 HydrophobicContact CB-CB 4.37Å; R33-L40 PolarHBondContact N-O 3.36Å; R33-L40 PolarHBondContact O-N 3.13Å
34N87.6Confident86.2Confident114 Ų11470.6 Ų70.661%0.6140%0.398SS*.EExtended strand (participates in β ladder)trans-108.5115.5168.3-170.5-48.5000108G37 L38N34-G37 WeakPolarHBondContact OD1-CA 3.4Å; N34-G37 PolarHBondContact OD1-N 2.87Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å; N34-L38 WeakPolarHBondContact CA-O 3.4Å
35I89Confident84.6Confident13 Ų1372.2 Ų72.27%0.06740%0.399CS..EExtended strand (participates in β ladder)trans-125.3111.8-179.2-55.2169.5000107.3I23 R33 G37 L38 L40I23-I35 HydrophobicContact CD1-CG2 4.38Å; I23-I35 HydrophobicContact CG1-CB 4.28Å; I23-I35 HydrophobicContact CG1-CD1 4.15Å; I23-I35 HydrophobicContact CG1-CG2 3.83Å; R33-I35 HydrophobicContact CB-CD1 4.43Å; R33-I35 HydrophobicContact CB-CG1 4.38Å; I35-G37 PolarHBondContact O-N 2.85Å; I35-L38 PolarHBondContact N-O 3.15Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.24Å; I35-L38 PolarHBondContact O-N 3.19Å; I35-L40 HydrophobicContact CD1-CD1 3.68Å
36N86.4Confident82.3Confident163 Ų16375.3 Ų75.387%0.87242%0.418SS*.THydrogen-bonded Turntrans53.538.2-178.5-56-20000113.4L38N36-L38 PolarHBondContact O-N 2.84Å
37G86.8Confident79.9Confident65 Ų6577 Ų7767%0.6743%0.433SS*.THydrogen-bonded Turntrans81.7-6.7-17700000114.6N34 I35N34-G37 WeakPolarHBondContact OD1-CA 3.4Å; N34-G37 PolarHBondContact OD1-N 2.87Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å; I35-G37 PolarHBondContact O-N 2.85Å
38L87.3Confident77.4Confident87 Ų8780 Ų8046%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-83.6115.7173.3-174.564.9000110I23 N34 I35 N36 L40I23-L38 HydrophobicContact CG2-CD2 3.99Å; N34-L38 WeakPolarHBondContact CA-O 3.4Å; I35-L38 PolarHBondContact N-O 3.15Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.24Å; I35-L38 PolarHBondContact O-N 3.19Å; N36-L38 PolarHBondContact O-N 2.84Å; L38-L40 HydrophobicContact CD2-CD2 3.81Å; L38-L40 HydrophobicContact CD2-CG 4.45Å; L38-L40 HydrophobicContact CG-CD2 3.97Å; L38-L40 HydrophobicContact CG-CG 4.4Å
39F89.2Confident74.8Confident130 Ų13084.2 Ų84.257%0.5747%0.474SS*.EExtended strand (participates in β ladder)trans-81.2118.1172.1-175-96.6000110.3P32P32-F39 HydrophobicContact CB-CD2 4.47Å; P32-F39 HydrophobicContact CB-CE1 4.27Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 VanDerWaalsContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.37Å; P32-F39 HydrophobicContact CG-CE2 4.15Å; P32-F39 HydrophobicContact CG-CZ 4.11Å
40L87.9Confident72.3Confident29 Ų2993.4 Ų93.415%0.15251%0.514CS..EExtended strand (participates in β ladder)trans-107.4121.3174.4-60.2177.3000108.8I23 P32 R33 I35 L38I23-L40 HydrophobicContact CB-CD1 4.43Å; I23-L40 HydrophobicContact CG2-CD1 4.07Å; I23-L40 HydrophobicContact CG2-CD2 4.43Å; I23-L40 WeakPolarHBondContact O-CD1 3.25Å; P32-L40 CarbonylContact C-O 3.54Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.49Å; R33-L40 HydrophobicContact CB-CB 4.37Å; R33-L40 PolarHBondContact N-O 3.36Å; R33-L40 PolarHBondContact O-N 3.13Å; I35-L40 HydrophobicContact CD1-CD1 3.68Å; L38-L40 HydrophobicContact CD2-CD2 3.81Å; L38-L40 HydrophobicContact CD2-CG 4.45Å; L38-L40 HydrophobicContact CG-CD2 3.97Å; L38-L40 HydrophobicContact CG-CG 4.4Å
41P85.6Confident69.9Low86 Ų8698.4 Ų98.456%0.55853%0.531SS*.  trans-66.4162.2177.228.7-34.4000111.5
42P88Confident67.4Low44 Ų4496.9 Ų96.929%0.28654%0.537SS..  trans-51.9148.8167.4-2434.3000111.6H29 S30 S44H29-P42 CarbonylContact O-C 3.55Å; H29-P42 WeakPolarHBondContact O-CA 3.27Å; H29-P42 WeakPolarHBondContact O-CB 3.27Å; S30-P42 WeakPolarHBondContact O-CB 3.23Å; P42-S44 PolarHBondContact O-N 3.5Å
43S79.5Confident64.8Low26 Ų26103 Ų10318%0.18256%0.56CS.*SBendtrans-79.30.3-176.5630000114.4Y28 H29Y28-S43 VanDerWaalsContact CA-OG 3.28Å; Y28-S43 WeakPolarHBondContact CA-OG 3.43Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.28Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.46Å; H29-S43 PolarHBondContact N-OG 3.42Å; H29-S43 PolarHBondContact O-N 3.44Å; H29-S43 PolarHBondContact O-OG 2.8Å
44S63.6Low62.2Low48 Ų48111.2 Ų111.234%0.33660%0.599SS.*  trans-119.2115.6166.250.60000111.9Y28 P42Y28-S44 VanDerWaalsContact CE2-OG 3.27Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.48Å; Y28-S44 PolarHBondContact OH-OG 3.21Å; P42-S44 PolarHBondContact O-N 3.5Å
45N51.4Low59.3Low127 Ų127109 Ų10968%0.67960%0.603SS**  trans-115.720149.658.9-20.1000111.4T47N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 3.12Å
46T42.1Very low56.4Low91 Ų91114 Ų11456%0.55864%0.64SS**  trans-7781.3171.556.90000110L48T46-L48 PolarHBondContact O-N 3.24Å
47T37.1Very low54.3Low134 Ų134112.1 Ų112.182%0.82264%0.636SS**  trans-54.795.4133.224.40000105.6N45 Q49N45-T47 VanDerWaalsContact C-N 3.28Å; N45-T47 PolarHBondContact O-N 3.12Å; T47-Q49 PolarHBondContact O-N 3.33Å
48L35.7Very low51.5Low150 Ų150114.5 Ų114.579%0.78564%0.642SS**  trans-57.796.5165.4-171.384.1000105.7T46 K50T46-L48 PolarHBondContact O-N 3.24Å; L48-K50 VanDerWaalsContact C-N 3.26Å; L48-K50 PolarHBondContact O-N 3.06Å
49Q34.6Very low49.2Very low159 Ų159116 Ų11674%0.74366%0.657SS**  trans-48.8100.8155-82.5-91.211.600105.8T47 E51T47-Q49 PolarHBondContact O-N 3.33Å; Q49-E51 PolarHBondContact O-N 3.29Å
50K36.9Very low46.2Very low196 Ų196115.3 Ų115.385%0.85266%0.664SS**  trans-74.966167.4-171.4-178.9177.4-177.30106.8L48 S52L48-K50 VanDerWaalsContact C-N 3.26Å; L48-K50 PolarHBondContact O-N 3.06Å; K50-S52 PolarHBondContact O-N 3.19Å
51E34.6Very low43.5Very low170 Ų170122.6 Ų122.679%0.79470%0.697SS**  trans-90.292.9168.4-173.6176.3-173.900107.1Q49Q49-E51 PolarHBondContact O-N 3.29Å
52S34Very low41Very low104 Ų104123.8 Ų123.873%0.72771%0.707SS**  trans178.596.1141.4-167.70000109.1K50K50-S52 PolarHBondContact O-N 3.19Å
53Q33.4Very low38.5Very low197 Ų197130.9 Ų130.992%0.92174%0.737SS**  -161.7106.9124-84.7-128-43.300108.2
54E36.4Very low36.1Very low203 Ų203138 Ų13895%0.94977%0.767SS**  trans-72.3132.6170.5-176.6172.2-179.500109.8
55G26.4Very low34.8Very low66 Ų66140 Ų14068%0.6878%0.781SS**  trans-169.927.8-176.100000117.2
56S27.3Very low34Very low120 Ų120141.6 Ų141.684%0.83979%0.789SS**  trans59.8157158.178.30000120.6
57P42Very low33.7Very low123 Ų123146.5 Ų146.580%0.79980%0.803SS**  trans-105.4164-142.239.7-34.3000115.1
58S29.1Very low34Very low114 Ų114145.5 Ų145.580%0.79780%0.799SS**  trans-137140.8149.563.40000111.2
59P38.1Very low34Very low118 Ų118145.6 Ų145.677%0.76680%0.797SS**  trans-96.5173.8-168.439.3-34.5000112.3
60T26Very low34.6Very low117 Ų117146.9 Ų146.972%0.71880%0.803SS**  trans125.188161.7-50.80000110
61Q31.7Very low35Very low181 Ų181143.3 Ų143.385%0.84679%0.793SS**  79.8105.498.1-164.9178.723.600109.9
62S34Very low35.2Very low111 Ų111142.1 Ų142.178%0.77680%0.797SS**  -152.2139.571.850.20000113.9
63Q35.3Very low35.8Very low193 Ų193142.2 Ų142.290%0.90280%0.798SS**  trans-55.5146.3160.7-68169.8-77.900110.1
64E29.1Very low36.5Very low175 Ų175143.6 Ų143.682%0.81879%0.794SS**  -169.111286.5-162.5166.2170.200107.7
65S35.9Very low36.9Very low91 Ų91139.3 Ų139.364%0.63678%0.784SS**  50.9124.494.7113.50000112.6
66L34.5Very low37.7Very low161 Ų161143.1 Ų143.184%0.84379%0.787SS**  cis-160.9165.427.4-78.3155000109.5
67K35.1Very low39Very low193 Ų193145.6 Ų145.684%0.83979%0.786SS**  trans-47.6-168.5178.2-56.6170.3178.2175.20116.5
68P42.9Very low39.5Very low114 Ų114147 Ų14774%0.7478%0.781SS**  -126.8157-62.735.2-19.4000111.3
69M36.5Very low40.5Very low151 Ų151147 Ų14774%0.74478%0.778SS**  trans-158.7120152.5-119.2-165.594.300113.6N71M69-N71 WeakPolarHBondContact CE-OD1 3.45Å; M69-N71 PolarHBondContact O-N 3.38Å
70E47.1Very low41Very low187 Ų187148.9 Ų148.987%0.87478%0.781SS**  trans-55112.4160.9-65.3169142.700109.5
71N44.9Very low42.3Very low121 Ų121149 Ų14965%0.64778%0.782SS**  trans-131.255.9167.1-61.2-54.9000109.4M69M69-N71 WeakPolarHBondContact CE-OD1 3.45Å; M69-N71 PolarHBondContact O-N 3.38Å
72V39.4Very low43.1Very low144 Ų144147.6 Ų147.687%0.87378%0.779SS**  trans-88.7102.2154.8-1690000105.3R74V72-R74 PolarHBondContact O-N 2.77Å
73S46.4Very low43.6Very low107 Ų107150.9 Ų150.975%0.74878%0.779SS**  trans-45.2121.3-179.5-46.20000111
74R48.8Very low44.1Very low225 Ų225146.6 Ų146.685%0.84977%0.767SS**  trans-59.7136.7165.8-64.7-179.3178.8-148.4-0.6108.2V72 I76V72-R74 PolarHBondContact O-N 2.77Å; R74-I76 PolarHBondContact O-N 2.95Å
75P44.6Very low44.7Very low113 Ų113145.8 Ų145.873%0.73477%0.768SS**  trans-61.3114.1167.4-17.830.2000108.6H77P75-H77 VanDerWaalsContact C-N 3.25Å; P75-H77 PolarHBondContact O-N 3.24Å
76I43.3Very low45.2Very low146 Ų146150.3 Ų150.375%0.74978%0.776SS**  trans-73.187.9169.2-57.6171.3000106R74 H78R74-I76 PolarHBondContact O-N 2.95Å; I76-H78 PolarHBondContact O-N 2.72Å
77H53.8Low45.6Very low173 Ų173150.8 Ų150.880%0.80177%0.774SS**  trans-75.4118.1160.3-91.3-82.1000107.6P75P75-H77 VanDerWaalsContact C-N 3.25Å; P75-H77 PolarHBondContact O-N 3.24Å
78H51.9Low46Very low151 Ų151150.3 Ų150.370%0.69978%0.775SS**  trans-62.8133.8166.3-69.9-103.5000108.6I76 L80I76-H78 PolarHBondContact O-N 2.72Å; H78-L80 PolarHBondContact O-N 3.22Å; H78-L80 VanDerWaalsContact O-N 3.12Å
79P50.8Low46.1Very low115 Ų115153.4 Ų153.475%0.74778%0.78SS**  trans-67.3113.4173.326.7-30.8000108.5V81P79-V81 PolarHBondContact O-N 3.16Å; P79-V81 VanDerWaalsContact O-N 3.1Å
80L49.4Very low46.8Very low158 Ų158154.4 Ų154.483%0.82778%0.783SS**  trans-72100166.4-66.1175.3000107.3H78 L82H78-L80 PolarHBondContact O-N 3.22Å; H78-L80 VanDerWaalsContact O-N 3.12Å; L80-L82 PolarHBondContact O-N 3.36Å; L80-L82 VanDerWaalsContact O-N 3.11Å
81V53.4Low46.8Very low119 Ų119153.8 Ų153.872%0.72178%0.779SS**  trans-72.798.8167.8-179.80000106.9P79 K83P79-V81 PolarHBondContact O-N 3.16Å; P79-V81 VanDerWaalsContact O-N 3.1Å; V81-K83 HydrophobicContact CG1-CG 4.48Å; V81-K83 PolarHBondContact O-N 3.44Å; V81-K83 VanDerWaalsContact O-N 3.12Å
82L47.5Very low46.8Very low152 Ų152156 Ų15680%0.79679%0.786SS**  trans-69103.1164.7-67.1171000106.9L80 T84L80-L82 PolarHBondContact O-N 3.36Å; L80-L82 VanDerWaalsContact O-N 3.11Å; L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 3.13Å
83K45.1Very low47.2Very low180 Ų180158.9 Ų158.978%0.78379%0.79SS**  trans-69.795.6164.1-72.2-175.6177.9-176.20107V81 N85V81-K83 HydrophobicContact CG1-CG 4.48Å; V81-K83 PolarHBondContact O-N 3.44Å; V81-K83 VanDerWaalsContact O-N 3.12Å; K83-N85 PolarHBondContact O-N 3.27Å
84T44.7Very low46.9Very low103 Ų103162.1 Ų162.163%0.63279%0.793SS**  trans-70.3110161.653.30000106.5L82 F86L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 3.13Å; T84-F86 PolarHBondContact O-N 3.35Å
85N43.4Very low46.8Very low157 Ų157158.7 Ų158.784%0.8479%0.787SS**  trans-69.990.1160.2-63-17.2000105.5K83K83-N85 PolarHBondContact O-N 3.27Å
86F44.8Very low46.7Very low186 Ų186159.1 Ų159.182%0.81679%0.79SS**  trans-86.5107.2160.1-102.4-87.9000105.6T84 E88T84-F86 PolarHBondContact O-N 3.35Å; F86-E88 PolarHBondContact O-N 3.48Å
87E43.9Very low46.8Very low172 Ų172158 Ų15880%0.80479%0.785SS**  trans-59.1120162.6-158.5156.2-155.700106.3E89E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.92Å
88E43.4Very low46.3Very low183 Ų183156.5 Ų156.586%0.85578%0.783SS**  trans-72.684.3175-173.3172.6-150.800107F86 E90F86-E88 PolarHBondContact O-N 3.48Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 3.4Å
89E45.1Very low45.5Very low179 Ų179154.2 Ų154.284%0.83679%0.79SS**  trans-85.989159.9-81.2-171.1163.300107.5E87 E91E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.92Å; E89-E91 PolarHBondContact O-N 2.87Å
90E51.8Low45.4Very low172 Ų172154.6 Ų154.680%0.80480%0.796SS**  trans-59.8112.9153.2-150.3179.6-159.600107.1E88E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 3.4Å
91E46.5Very low45.4Very low173 Ų173152 Ų15281%0.80879%0.791SS**  trans-175.8131.8142.5-104.5173.4178.300113.4E89E89-E91 PolarHBondContact O-N 2.87Å
92E43.8Very low45.1Very low168 Ų168153.7 Ų153.779%0.78580%0.795SS**  trans74.994.8149.1-61.4-170.8160.800119.9E94E92-E94 PolarHBondContact O-N 3.28Å
93E49.2Very low45.2Very low204 Ų204157.1 Ų157.195%0.95380%0.797SS**  trans-27.197134-173-180-158.500113.2
94E40.1Very low45.6Very low176 Ų176155 Ų15582%0.82280%0.8SS**  trans-141.5111.7150.6-161.2175.4-170.800109.5E92 P96E92-E94 PolarHBondContact O-N 3.28Å; E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.46Å
95E45.3Very low47.1Very low152 Ų152154.7 Ų154.771%0.7179%0.79SS**  trans-60.6124.3168.8178.8-168.9166.400110.2N97E95-N97 HydrophobicContact CG-CB 4.44Å; E95-N97 PolarHBondContact OE1-ND2 2.87Å
96P44.2Very low48.8Very low123 Ų123150.5 Ų150.580%0.79977%0.77SS**  trans-103.297.4148.825.9-8.9000107.5E94E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.46Å
97N44.1Very low50.6Low121 Ų121146 Ų14665%0.64776%0.759SS**  trans-47.5147.7155.8-155.6-58.9000109.4E95E95-N97 HydrophobicContact CG-CB 4.44Å; E95-N97 PolarHBondContact OE1-ND2 2.87Å
98D44.6Very low52.4Low143 Ų143143.6 Ų143.677%0.76575%0.748SS**  trans90.269162.4-14212.7000118.6
99A34.1Very low54.4Low102 Ų102138.6 Ų138.684%0.84373%0.725SS**SBendtrans-159.619.4144.800000115.7
100S49.3Very low56.5Low124 Ų124132.4 Ų132.487%0.86770%0.697SS**  trans-110.944.4177.3-176.30000113
101S49.3Very low58.4Low103 Ų103131 Ų13172%0.7269%0.69SS**  trans-11771.7175.1-175.70000110.6
102L47.9Very low60.3Low154 Ų154128.5 Ų128.581%0.80668%0.678SS**  trans-164.138.3155.4-134.4110.3000115.5
103W48.3Very low62.5Low224 Ų224125 Ų12585%0.84866%0.66SS**  trans-123.871.6164.7-67.865.4000108.6K105W103-K105 PolarHBondContact O-N 2.86Å
104T54.7Low64.5Low135 Ų135123.4 Ų123.483%0.82865%0.646SS**  trans-69.887.2170.1-34.70000107.6T106T104-T106 PolarHBondContact O-N 2.64Å
105K76.1Confident67Low98 Ų98117.3 Ų117.343%0.42663%0.626SS.*  trans-59125.4175-71-178.9171.2167.60108.6W103 I110W103-K105 PolarHBondContact O-N 2.86Å; K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.93Å
106T78.7Confident69.2Low68 Ų68114.5 Ų114.542%0.41761%0.614SS.*  trans-68.1153.9178.774.60000109.5T104 E108 E109 I110T104-T106 PolarHBondContact O-N 2.64Å; T106-E108 WeakPolarHBondContact CB-OE2 3.38Å; T106-E108 PolarHBondContact O-N 3.24Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-OE2 3.1Å; T106-E109 WeakPolarHBondContact O-CB 3.36Å; T106-E109 PolarHBondContact O-N 2.89Å; T106-E109 PolarHBondContact OG1-N 3.16Å; T106-I110 WeakPolarHBondContact O-CG1 3.31Å; T106-I110 PolarHBondContact O-N 3.34Å
107P81.9Confident71.4Confident92 Ų92116.4 Ų116.460%0.59761%0.61SS**Hα-helixtrans-56.2-30.817919.8-30.4000112.7I110 E111P107-I110 PolarHBondContact O-N 3.32Å; P107-E111 PolarHBondContact O-N 3.46Å
108E82.9Confident73.4Confident122 Ų122115.5 Ų115.557%0.5760%0.602SS**Hα-helixtrans-67.9-41.7175.6-5676.7-166.400111.8T106 I110 E111 E112T106-E108 WeakPolarHBondContact CB-OE2 3.38Å; T106-E108 PolarHBondContact O-N 3.24Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E108 PolarHBondContact OG1-OE2 3.1Å; E108-I110 PolarHBondContact O-N 3.35Å; E108-E111 PolarHBondContact O-N 3.12Å; E108-E112 WeakPolarHBondContact O-CB 3.33Å; E108-E112 PolarHBondContact O-N 2.99Å
109E84.8Confident75.3Confident78 Ų78114.9 Ų114.936%0.36460%0.596SS.*Hα-helixtrans-66.7-31175.3-164.2-169155.100111.2T106 K113T106-E109 WeakPolarHBondContact O-CB 3.36Å; T106-E109 PolarHBondContact O-N 2.89Å; T106-E109 PolarHBondContact OG1-N 3.16Å; E109-K113 WeakPolarHBondContact O-CB 3.2Å; E109-K113 WeakPolarHBondContact O-CG 3.31Å; E109-K113 PolarHBondContact O-N 3.25Å
110I89.6Confident77.8Confident49 Ų49112.4 Ų112.425%0.25157%0.572SS.*Hα-helixtrans-72.4-35.9175.3-63.1174.8000111.8K105 T106 P107 E108 K113 R114K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.93Å; T106-I110 WeakPolarHBondContact O-CG1 3.31Å; T106-I110 PolarHBondContact O-N 3.34Å; P107-I110 PolarHBondContact O-N 3.32Å; E108-I110 PolarHBondContact O-N 3.35Å; I110-K113 VanDerWaalsContact O-CG 3.22Å; I110-K113 WeakPolarHBondContact O-CG 3.2Å; I110-R114 WeakPolarHBondContact O-CD 3.1Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.23Å; I110-R114 PolarHBondContact O-N 3.36Å
111E92.1Very high79.3Confident141 Ų141115.9 Ų115.966%0.65957%0.568SS**Hα-helixtrans-73.5-42.7174.7-173175-174.800111P107 E108 K113 R114 A115P107-E111 PolarHBondContact O-N 3.46Å; E108-E111 PolarHBondContact O-N 3.12Å; E111-K113 PolarHBondContact O-N 3.12Å; E111-R114 WeakPolarHBondContact O-CB 3.32Å; E111-R114 PolarHBondContact O-N 3.25Å; E111-R114 VanDerWaalsContact O-N 3.13Å; E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 2.92Å
112E86.4Confident80.9Confident121 Ų121118 Ų11857%0.56556%0.564SS**Hα-helixtrans-61.2-47.1177.7-176176.3-174.600111.6E108 R114 A115 I116E108-E112 WeakPolarHBondContact O-CB 3.33Å; E108-E112 PolarHBondContact O-N 2.99Å; E112-R114 PolarHBondContact O-N 3.11Å; E112-A115 PolarHBondContact O-N 3.35Å; E112-I116 HydrophobicContact CG-CD1 3.84Å; E112-I116 HydrophobicContact CG-CG1 4.43Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.44Å; E112-I116 PolarHBondContact O-N 3.24Å
113K89.6Confident82.4Confident94 Ų94113.5 Ų113.541%0.40955%0.545SS..Hα-helixtrans-62.6-32.417674.1-172.5-173.3-169.20112.5E109 I110 E111 K117E109-K113 WeakPolarHBondContact O-CB 3.2Å; E109-K113 WeakPolarHBondContact O-CG 3.31Å; E109-K113 PolarHBondContact O-N 3.25Å; I110-K113 VanDerWaalsContact O-CG 3.22Å; I110-K113 WeakPolarHBondContact O-CG 3.2Å; E111-K113 PolarHBondContact O-N 3.12Å; K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.38Å; K113-K117 PolarHBondContact O-N 3.41Å
114R91.4Very high83.4Confident171 Ų171105.5 Ų105.565%0.64553%0.532SS*.Hα-helixtrans-71.9-43.4175.7-75.5174.7-171-175.94.9110.6I110 E111 E112 K117 E118I110-R114 WeakPolarHBondContact O-CD 3.1Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.23Å; I110-R114 PolarHBondContact O-N 3.36Å; E111-R114 WeakPolarHBondContact O-CB 3.32Å; E111-R114 PolarHBondContact O-N 3.25Å; E111-R114 VanDerWaalsContact O-N 3.13Å; E112-R114 PolarHBondContact O-N 3.11Å; R114-K117 PolarHBondContact O-N 3.32Å; R114-E118 WeakPolarHBondContact O-CB 3.29Å; R114-E118 PolarHBondContact O-N 3.05Å
115A91.6Very high83.5Confident48 Ų48107 Ų10740%0.39753%0.53SS..Hα-helixtrans-61.8-46.4176.700000111.3E111 E112 K117 E118 M119E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 2.92Å; E112-A115 PolarHBondContact O-N 3.35Å; A115-K117 PolarHBondContact O-N 2.86Å; A115-E118 PolarHBondContact O-N 3.48Å; A115-M119 WeakPolarHBondContact O-CB 3.46Å; A115-M119 WeakPolarHBondContact O-CG 3.5Å; A115-M119 PolarHBondContact O-N 2.82Å
116I90.9Very high82.2Confident93 Ų93110 Ų11048%0.47754%0.54SS..Hα-helixtrans-61-46.5175.8-66.1167000110.2E112 E118 M119 C120E112-I116 HydrophobicContact CG-CD1 3.84Å; E112-I116 HydrophobicContact CG-CG1 4.43Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.44Å; E112-I116 PolarHBondContact O-N 3.24Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 3.3Å; I116-M119 PolarHBondContact O-N 3.2Å; I116-C120 WeakPolarHBondContact O-CB 3.23Å; I116-C120 PolarHBondContact O-N 3.16Å; I116-C120 PolarHBondContact O-SG 3.16Å
117K90.1Very high80.8Confident163 Ų163116.1 Ų116.171%0.70956%0.556SS**Hα-helixtrans-60.8-41.4178.3-175.1175.8-178.9178.60112.3K113 R114 A115 C120 Y121K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.38Å; K113-K117 PolarHBondContact O-N 3.41Å; R114-K117 PolarHBondContact O-N 3.32Å; A115-K117 PolarHBondContact O-N 2.86Å; K117-C120 PolarHBondContact O-N 3.46Å; K117-Y121 WeakPolarHBondContact O-CB 3.27Å; K117-Y121 PolarHBondContact O-N 3.12Å
118E87.8Confident79Confident103 Ų103122.1 Ų122.148%0.48157%0.567SS.*Hα-helixtrans-68-41.7177.4-171.1-174.7159.700111.6R114 A115 I116 Y121 K122R114-E118 WeakPolarHBondContact O-CB 3.29Å; R114-E118 PolarHBondContact O-N 3.05Å; A115-E118 PolarHBondContact O-N 3.48Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 3.3Å; E118-Y121 PolarHBondContact O-N 3.11Å; E118-K122 HydrophobicContact CG-CD 4.13Å; E118-K122 VanDerWaalsContact O-CB 3.31Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 2.85Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.22Å; E118-K122 IonicContact OE1-NZ 2.64Å; E118-K122 PolarHBondContact OE1-NZ 3.04Å
119M84.5Confident76.9Confident130 Ų130123.9 Ų123.964%0.6457%0.573SS**Hα-helixtrans-61.5-43.9174.4-72.2-61.5-60.300111.4A115 I116 K122 S123A115-M119 WeakPolarHBondContact O-CB 3.46Å; A115-M119 WeakPolarHBondContact O-CG 3.5Å; A115-M119 PolarHBondContact O-N 2.82Å; I116-M119 PolarHBondContact O-N 3.2Å; M119-K122 PolarHBondContact O-N 3.46Å; M119-S123 VanDerWaalsContact O-CB 3.27Å; M119-S123 WeakPolarHBondContact O-CB 3.33Å; M119-S123 PolarHBondContact O-N 3.49Å; M119-S123 PolarHBondContact O-OG 3.29Å; M119-S123 VanDerWaalsContact O-OG 3.13Å
120C85.8Confident74.8Confident50 Ų50128.2 Ų128.234%0.33859%0.593SS.*Hα-helixtrans-67.8-36.3176.6-67.40000113I116 K117 S123 G124I116-C120 WeakPolarHBondContact O-CB 3.23Å; I116-C120 PolarHBondContact O-N 3.16Å; I116-C120 PolarHBondContact O-SG 3.16Å; K117-C120 PolarHBondContact O-N 3.46Å; C120-S123 WeakPolarHBondContact CA-OG 3.47Å; C120-S123 PolarHBondContact O-OG 2.83Å; C120-G124 PolarHBondContact O-N 3.13Å
121Y81.9Confident72.6Confident197 Ų197129.9 Ų129.977%0.77361%0.614SS**Hα-helixtrans-67.1-42.8174.9-178.5-99.8000111.1K117 E118 G124K117-Y121 WeakPolarHBondContact O-CB 3.27Å; K117-Y121 PolarHBondContact O-N 3.12Å; E118-Y121 PolarHBondContact O-N 3.11Å; Y121-G124 PolarHBondContact O-N 3.37Å
122K82.6Confident70.5Confident147 Ų147128.2 Ų128.264%0.63962%0.616SS**Hα-helixtrans-73.3-32178.2-75.7179.3171.9173.20113.4E118 M119 G124E118-K122 HydrophobicContact CG-CD 4.13Å; E118-K122 VanDerWaalsContact O-CB 3.31Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 2.85Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.22Å; E118-K122 IonicContact OE1-NZ 2.64Å; E118-K122 PolarHBondContact OE1-NZ 3.04Å; M119-K122 PolarHBondContact O-N 3.46Å; K122-G124 PolarHBondContact O-N 3.32Å
123S78.1Confident68.5Low59 Ų59128.3 Ų128.341%0.41363%0.627SS.*Hα-helixtrans-75.2-11.5176.768.70000112.8M119 C120 E125M119-S123 VanDerWaalsContact O-CB 3.27Å; M119-S123 WeakPolarHBondContact O-CB 3.33Å; M119-S123 PolarHBondContact O-N 3.49Å; M119-S123 PolarHBondContact O-OG 3.29Å; M119-S123 VanDerWaalsContact O-OG 3.13Å; C120-S123 WeakPolarHBondContact CA-OG 3.47Å; C120-S123 PolarHBondContact O-OG 2.83Å; S123-E125 PolarHBondContact O-N 2.97Å; S123-E125 VanDerWaalsContact O-N 3.13Å
124G69.7Low66.1Low56 Ų56131.4 Ų131.458%0.57765%0.648SS**THydrogen-bonded Turntrans65.711178.900000113.7C120 Y121 K122 Y126C120-G124 PolarHBondContact O-N 3.13Å; Y121-G124 PolarHBondContact O-N 3.37Å; K122-G124 PolarHBondContact O-N 3.32Å; G124-Y126 VanDerWaalsContact C-N 3.26Å; G124-Y126 PolarHBondContact O-N 3.43Å
125E56.2Low63.5Low167 Ų167130.4 Ų130.478%0.7865%0.654SS**THydrogen-bonded Turntrans-80.6-3.6-174.7-69-176.3150.500113.3S123S123-E125 PolarHBondContact O-N 2.97Å; S123-E125 VanDerWaalsContact O-N 3.13Å
126Y50.2Low60.9Low161 Ų161134 Ų13463%0.63167%0.673SS**THydrogen-bonded Turntrans-106.51.3-173.4-160.5-100.5000116.4G124G124-Y126 VanDerWaalsContact C-N 3.26Å; G124-Y126 PolarHBondContact O-N 3.43Å
127Y48.5Very low58.2Low196 Ų196135.2 Ų135.277%0.76969%0.69SS**  trans-136.879.1165.6-86.3-84.8000111.4F129Y127-F129 HydrophobicContact CD1-CD2 4.01Å; Y127-F129 HydrophobicContact CE1-CD2 4.24Å
128R45Very low55.5Low218 Ų218132 Ų13282%0.82369%0.688SS**  trans-123.366.1147.9-170.3-179.5-83.9140-4.9108.2
129F39Very low53.1Low159 Ų159136.9 Ų136.970%0.69771%0.708SS**  trans-75.9123.4154-73.9-81.1000106.7Y127 A131Y127-F129 HydrophobicContact CD1-CD2 4.01Å; Y127-F129 HydrophobicContact CE1-CD2 4.24Å; F129-A131 PolarHBondContact O-N 3.46Å; F129-A131 VanDerWaalsContact O-N 3.1Å
130H39.6Very low50.6Low169 Ų169136.1 Ų136.178%0.78272%0.715SS**  trans-65.7107164.4-74-82.9000106.9
131A44.1Very low48.2Very low84 Ų84140.1 Ų140.169%0.69474%0.738SS**PPolyproline II helixtrans-57.6130.7159.100000107.3F129F129-A131 PolarHBondContact O-N 3.46Å; F129-A131 VanDerWaalsContact O-N 3.1Å
132P47.3Very low45.9Very low106 Ų106135 Ų13569%0.68874%0.737SS**PPolyproline II helixtrans-53.7141.2167.3-20.832000108.9D134P132-D134 PolarHBondContact O-N 3.09Å
133P43.9Very low43.6Very low123 Ų123134 Ų13480%0.79975%0.745SS**PPolyproline II helixtrans-59.5116.5173.4-1829.6000108.9I135P133-I135 PolarHBondContact O-N 3.46Å; P133-I135 VanDerWaalsContact O-N 3.07Å
134D39.4Very low41.3Very low159 Ų159137.2 Ų137.285%0.8576%0.762SS**  trans-57114.9169.9-69.8-46.1000108.4P132P132-D134 PolarHBondContact O-N 3.09Å
135I37.1Very low39.5Very low150 Ų150140.4 Ų140.477%0.76977%0.77SS**  trans-64.1129.6169.5-61.6169.3000106.6P133 S137P133-I135 PolarHBondContact O-N 3.46Å; P133-I135 VanDerWaalsContact O-N 3.07Å; I135-S137 PolarHBondContact O-N 3.33Å
136P37.7Very low38.4Very low123 Ų123142 Ų14280%0.79978%0.778SS**  trans-69.398.5175.727.7-32000109.2S138P136-S138 PolarHBondContact O-N 3.27Å
137S34.2Very low38.1Very low119 Ų119143.6 Ų143.683%0.83279%0.788SS**  trans-79.4111.9169.7-1730000109.4I135I135-S137 PolarHBondContact O-N 3.33Å
138S33Very low37.1Very low97 Ų97142.5 Ų142.568%0.67879%0.79SS**  trans-76.5140.8177.9540000112.7P136P136-S138 PolarHBondContact O-N 3.27Å
139K37.3Very low36.4Very low204 Ų204138.9 Ų138.989%0.88779%0.786SS**  trans79.2105.9158.3-67175.1177.7175.30117.9
140S32.9Very low35.9Very low115 Ų115139.5 Ų139.580%0.80479%0.791SS**  trans-159.191.6138.3177.60000111.2
141V34.3Very low35.7Very low134 Ų134140.8 Ų140.881%0.81279%0.794SS**  trans24.2114.6132.2-174.60000116.9
142A33Very low35.4Very low90 Ų90142.2 Ų142.274%0.74480%0.797SS**  trans-73.5155.4167.300000112.2
143P35.3Very low34.4Very low124 Ų124144 Ų14481%0.80580%0.799SS**  trans-107148.5147.632.6-21000111.9
144T28.7Very low33.8Very low128 Ų128145.3 Ų145.379%0.78580%0.795SS**  trans-65.8148.8-177.128.70000116.2
145V31.8Very low33.2Very low122 Ų122144 Ų14474%0.73979%0.793SS**  trans56.2113.8137.81770000117.8
146E34.5Very low32.9Very low202 Ų202139.7 Ų139.794%0.94479%0.785SS**  -142.6135.4123.9-69.3-159.7155.600109.6
147K42.6Very low32.7Very low194 Ų194139.1 Ų139.184%0.84379%0.785SS**  trans-102.1142.3171.8-70.4179.9172.4-179.50107.4
148E29.1Very low32.6Very low173 Ų173141.3 Ų141.381%0.80878%0.782SS**  trans167.8121.1133.8-97.7-171.8138.400109.1
149L28.7Very low32.9Very low142 Ų142143.7 Ų143.774%0.74379%0.786SS**  74117.3109.3-132.384.1000110.8
150E28.5Very low33Very low172 Ų172143.1 Ų143.180%0.80479%0.787SS**  -166.7156.652.3-79.1178.4151.200110.7
151K35.7Very low33.3Very low195 Ų195146.3 Ų146.385%0.84879%0.789SS**  trans-86.3167166.6-68.6175.9177.6179.60110.4
152P37.8Very low33.4Very low115 Ų115143.7 Ų143.775%0.74779%0.788SS**  -126.7137.5111.62.419.7000111.6
153L26.6Very low33.6Very low142 Ų142147 Ų14774%0.74379%0.794SS**  78.5122.293.6-154.776.4000109.2
154E30.7Very low33.6Very low152 Ų152144.4 Ų144.471%0.7179%0.789SS**  cis-169.6155.721.9-130.2173.9155.800108.7
155T27.3Very low34.1Very low130 Ų130145.6 Ų145.680%0.79879%0.79SS**  trans73.3124.3137.6-45.10000122.1
156G31.4Very low34.5Very low60 Ų60146.7 Ų146.762%0.61980%0.797SS**  trans141.565.6167.700000110.2
157S32.4Very low34.7Very low112 Ų112143.1 Ų143.178%0.78379%0.789SS**  37.5120108.9630000112.6
158E32.8Very low34.8Very low165 Ų165139 Ų13977%0.77178%0.782SS**  179.613266.3-169.8169.6-168.100109.3
159L39.3Very low34.9Very low147 Ų147137.8 Ų137.877%0.7779%0.787SS**  trans27.1121.9146.5-50.9172.1000119.3
160Q39.3Very low35.7Very low192 Ų192138.8 Ų138.890%0.89779%0.785SS**  -171.4130.696.2-169.2164.4-11.900111.6
161E40.4Very low35.9Very low182 Ų182139.9 Ų139.985%0.8579%0.787SS**  trans-67.1143.9177-63.6151.8152.100111.5
162G35.7Very low35.7Very low78 Ų78135.5 Ų135.580%0.80478%0.781SS**  trans-158.778.9177.300000110.2
163D36.7Very low35.5Very low161 Ų161137 Ų13786%0.86178%0.782SS**  trans-55.3158.9179.8-162.37.4000114.2
164G36.3Very low35.9Very low68 Ų68140.2 Ų140.270%0.70179%0.79SS**  trans142.372.4162.400000117.9
165L38.4Very low36.1Very low153 Ų153141.2 Ų141.280%0.80180%0.795SS**  trans-37.7133.7162.8-65.7150.2000115.8
166T40.4Very low36.7Very low146 Ų146146.9 Ų146.990%0.89680%0.802SS**  -160.1129.9128.6-11.40000112.1
167V38.6Very low36.9Very low127 Ų127148.9 Ų148.977%0.7781%0.812SS**  trans-91.3-176.8-179.3-142.50000110.5
168P44.5Very low36.9Very low106 Ų106147.3 Ų147.369%0.68881%0.814SS**  -111.1157.8-124.336.2-15.8000113.7
169T32.2Very low37.2Very low149 Ų149148.7 Ų148.791%0.91482%0.82SS**  trans-105.9119170-57.30000110.9
170K43.9Very low36.9Very low162 Ų162146.6 Ų146.670%0.70483%0.825SS**  trans-77.9173.5177.8-70.1-176.4174.9-177.70112.6
171F32.7Very low37.2Very low195 Ų195146.5 Ų146.586%0.85582%0.821SS**  trans92.4135.1160.2-64.7-82.4000115.2
172S32.5Very low36.8Very low104 Ų104144.5 Ų144.573%0.72782%0.822SS**  cis-162.3155.79.546.80000111.4
173L33.8Very low36.6Very low145 Ų145145.3 Ų145.376%0.75982%0.815SS**  trans-51.6153.9161.4-79.687.4000113
174F35.1Very low36.6Very low210 Ų210145.4 Ų145.492%0.92181%0.814SS**  -157129.5121-101.9-72.3000111.6
175E34.8Very low36.3Very low173 Ų173148.3 Ų148.381%0.80881%0.814SS**  trans-67150.7163.5-73.3168.2110.300111.7
176R39.2Very low35.9Very low250 Ų250152.5 Ų152.594%0.94382%0.819SS**  trans-152.5112139.3-152.6171.4-150.81557.2111.8
177A35.1Very low36.1Very low101 Ų101154.5 Ų154.584%0.83582%0.816SS**  trans-79.7150161.200000110.3
178G33.3Very low36.3Very low79 Ų79154.5 Ų154.581%0.81482%0.818SS**  trans-169.494.1171.900000110.8
179E38.7Very low35.9Very low194 Ų194161.1 Ų161.191%0.90783%0.829SS**  trans-70.6148.5168.5-72.3177.3123.200111.8
180A32.6Very low36Very low104 Ų104159.8 Ų159.886%0.8682%0.821SS**  trans-151129.4148.900000110.2
181K45.9Very low35.6Very low190 Ų190159.7 Ų159.783%0.82683%0.828SS**  trans-113.6175.1169.6-69.3-148.1178.3-1740110.3
182T32.2Very low35.7Very low140 Ų140158 Ų15886%0.85983%0.827SS**  trans100.3139.7174.271.60000113.7
183S32.8Very low35.9Very low95 Ų95157.4 Ų157.466%0.66483%0.828SS**  cis-179157.9-5.645.90000110.7
184L35.8Very low35.9Very low162 Ų162154.6 Ų154.685%0.84883%0.826SS**  trans79.2118.5145.9-79.3154.4000123.6
185D28.9Very low36.1Very low130 Ų130154.5 Ų154.570%0.69583%0.825SS**  77.7107.4123.3-160.142000122.4
186R31.5Very low36.3Very low241 Ų241154.3 Ų154.391%0.90982%0.824SS**  -171.4132.8122.9-118176.7172.3162.5-1.9113.5
187K43.6Very low36.4Very low188 Ų188149.7 Ų149.782%0.81782%0.818SS**PPolyproline II helixtrans-71.7157.7176.4-67.5172.7175.6176.60114.1
188P42.6Very low36.4Very low126 Ų126148.7 Ų148.782%0.81882%0.818SS**PPolyproline II helixtrans-86.4139164.833.3-30000112.2
189R36.2Very low36.5Very low245 Ų245149.1 Ų149.193%0.92582%0.822SS**PPolyproline II helixtrans-93.5124.1172.7-96.2-178174.9166-3.4110.6
190T34.6Very low36.3Very low121 Ų121143 Ų14374%0.74281%0.811SS**PPolyproline II helixtrans-63.5146.3151.110.50000110.1
191D35.5Very low36.7Very low161 Ų161145.7 Ų145.786%0.86181%0.811SS**  trans-158.6140.9137.7-94.6-28.4000112.1
192I36Very low36.3Very low160 Ų160142.3 Ų142.382%0.82181%0.81SS**  trans-90.1141.5-176.1-67.3156.1000108
193A35.5Very low36.6Very low91 Ų91147.1 Ų147.175%0.75281%0.814SS**  trans-141.2123.2159.200000110.5
194A35.1Very low36.9Very low86 Ų86146.5 Ų146.571%0.71182%0.815SS**  trans-71.3145.2176.700000111.8
195F37.6Very low37Very low207 Ų207145 Ų14591%0.90881%0.814SS**  trans-135.7124.7149.7-82.6-83.2000109.6
196E40.5Very low37.3Very low170 Ų170147.8 Ų147.879%0.79482%0.823SS**  trans-84.7139.2176.4-172.4178.7-175.400109.1
197N40.3Very low37.6Very low153 Ų153147.5 Ų147.582%0.81882%0.822SS**  trans149.7129136.9-76.8-51.4000114.3
198G35.4Very low37.5Very low80 Ų80145.4 Ų145.483%0.82582%0.819SS**  trans86.4103.6156.500000114.9
199G35.8Very low37.4Very low88 Ų88146.1 Ų146.191%0.90781%0.814SS**  cis85.885.44300000109.2
200G33.1Very low37.2Very low65 Ų65143.7 Ų143.767%0.6781%0.81SS**  trans-17897.5-178.800000111.8C202G200-C202 PolarHBondContact O-N 2.99Å
201D41.3Very low37.4Very low161 Ų161145.6 Ų145.686%0.86182%0.815SS**  trans-69.8119.1-168.5-49.1-40.5000112.3
202C38.8Very low37.2Very low119 Ų119141.1 Ų141.180%0.80481%0.808SS**  trans-96.2114.1169.534.30000109.9G200 A204G200-C202 PolarHBondContact O-N 2.99Å; C202-A204 PolarHBondContact O-N 3.01Å
203Y38.9Very low36.9Very low241 Ų241140.5 Ų140.595%0.94581%0.811SS**  trans-62.1115170.7-92.4-96.5000110.3
204A38.7Very low36.5Very low82 Ų82143.5 Ų143.568%0.67881%0.814SS**  trans-115127166.800000109.2C202 Q206C202-A204 PolarHBondContact O-N 3.01Å; A204-Q206 PolarHBondContact O-N 3.39Å
205P37Very low36.6Very low129 Ų129148.1 Ų148.184%0.83882%0.821SS**  trans-72.8113.2172.8-13.528.6000110.1
206Q36.4Very low36.6Very low189 Ų189143.8 Ų143.888%0.88382%0.816SS**  trans-69.4135.1175-100.6156.9-9.100111.7A204A204-Q206 PolarHBondContact O-N 3.39Å
207R36.2Very low36.2Very low235 Ų235144.6 Ų144.689%0.88782%0.82SS**  trans-75.1125.7173.3-58.3174.1-175-1190.1107.8I209R207-I209 PolarHBondContact O-N 3.03Å
208I42.9Very low35.8Very low145 Ų145142.2 Ų142.274%0.74482%0.822SS**  trans-72116175.6-63.4169.8000108.4F210I208-F210 HydrophobicContact CG2-CD2 3.94Å; I208-F210 HydrophobicContact CG2-CE2 3.83Å; I208-F210 HydrophobicContact CG2-CZ 4.37Å
209I39.4Very low35.6Very low140 Ų140146.3 Ų146.372%0.71882%0.824SS**  trans-92.9119.7161.3-63.3173.1000105.8R207 L211R207-I209 PolarHBondContact O-N 3.03Å; I209-L211 HydrophobicContact CG2-CD1 4.48Å; I209-L211 HydrophobicContact CG2-CG 4.28Å; I209-L211 PolarHBondContact O-N 3.25Å
210F33.2Very low35.3Very low194 Ų194146.4 Ų146.485%0.85182%0.816SS**  trans-79.1111.1166.1-81.1-87.8000108.3I208I208-F210 HydrophobicContact CG2-CD2 3.94Å; I208-F210 HydrophobicContact CG2-CE2 3.83Å; I208-F210 HydrophobicContact CG2-CZ 4.37Å
211L37.5Very low35.2Very low161 Ų161152.3 Ų152.384%0.84383%0.826SS**  trans-107.8129.3159.2-86.7161.8000107.2I209I209-L211 HydrophobicContact CG2-CD1 4.48Å; I209-L211 HydrophobicContact CG2-CG 4.28Å; I209-L211 PolarHBondContact O-N 3.25Å
212G31.7Very low34.7Very low68 Ų68152 Ų15270%0.70182%0.824SS**  trans-78.3159.1-174.600000114.1
213V29.8Very low34.8Very low147 Ų147155.5 Ų155.589%0.89183%0.826SS**  trans62.3105.7149.9-172.70000116.7
214D27.8Very low34.3Very low153 Ų153151.7 Ų151.782%0.81882%0.817SS**  -157.2137.9117.2-156.811000110.6
215E35.3Very low33.9Very low184 Ų184152.5 Ų152.586%0.8682%0.823SS**  trans-95.1133.9177.7-73.3-179.8137.400109.8
216S38.3Very low33.5Very low115 Ų115152.5 Ų152.580%0.80482%0.821SS**  trans-165.1109.3144.933.90000112.7
217E33Very low33.4Very low187 Ų187149 Ų14987%0.87482%0.818SS**  trans6.1123.1140-121.9174.8166.900119.6
218A31.9Very low33.1Very low103 Ų103147.7 Ų147.785%0.85182%0.819SS**  trans-158126137.700000110.9
219L29.9Very low32.3Very low166 Ų166147.2 Ų147.287%0.86983%0.826SS**  trans-74.4170.9177.2-86.6158.8000113.7
220A31.2Very low32.1Very low91 Ų91146.1 Ų146.175%0.75283%0.831SS**  trans100.4129.5172.600000113
221E30.5Very low31.9Very low188 Ų188143.9 Ų143.988%0.87983%0.828SS**  cis-162.815520.6-139.8172.1171.600108.8
222D30.6Very low31.7Very low154 Ų154143.1 Ų143.182%0.82483%0.83SS**  trans-47.1154.7171.2-78.7-46.7000114.2
223K39.5Very low31.9Very low193 Ų193147.3 Ų147.384%0.83983%0.829SS**  trans158140.4134.7-67.1-133.8-175.3172.60107.8
224E29.7Very low31.8Very low162 Ų162147.6 Ų147.676%0.75782%0.821SS**  cis-170131.3-9176.6173.517200103.1
225A29.7Very low31.8Very low98 Ų98146.1 Ų146.181%0.8182%0.822SS**  trans-89.5141.8179.600000110.9
226T29Very low31.8Very low130 Ų130146.3 Ų146.380%0.79882%0.82SS**  trans-152.1108.3160.8-13.40000111.3
227S33.3Very low31.5Very low115 Ų115148.9 Ų148.980%0.80483%0.825SS**  trans-173.196.2137.559.50000112.7
228K30.9Very low31.3Very low208 Ų208143.4 Ų143.490%0.90482%0.818SS**  trans42.6107.4136.4-63178.4180175.80119.5
229C25.2Very low31.3Very low134 Ų134147.1 Ų147.191%0.90582%0.823SS**  trans-78.3156.2158.4-60.30000112.8
230S35.7Very low31.4Very low118 Ų118147.3 Ų147.383%0.82582%0.819SS**  trans-138.8101.5151.264.50000112.1
231N28.9Very low32.2Very low146 Ų146147 Ų14778%0.78181%0.809SS**  55.5113.3124.8-133.5-16.1000121.5
232V34.8Very low32.3Very low146 Ų146147.1 Ų147.189%0.88581%0.807SS**  trans-150.9121.4133.71700000109.8
233K34.5Very low32.3Very low155 Ų155148.4 Ų148.467%0.67481%0.808SS**  trans-34.7158.1159.4-105.9179.2176.3-128.30114.8
234E28.9Very low32.7Very low154 Ų154144.2 Ų144.272%0.7280%0.8SS**  cis-178.1138.813.4-151.3157-147.400105.4
235S27.1Very low32.8Very low121 Ų121144.1 Ų144.185%0.84680%0.804SS**  trans175.3129.1142.8178.60000109.7
236K34.8Very low32.7Very low189 Ų189144.7 Ų144.782%0.82280%0.797SS**  trans-118.8130.3-167.5-179.8-176.8-175.2176.90107.6
237N32.3Very low32.9Very low169 Ų169143.7 Ų143.790%0.90479%0.791SS**  trans-176.2131.3157.4-79.2-27.2000103.9
238G29.5Very low32.9Very low71 Ų71148.8 Ų148.873%0.73279%0.793SS**  cis175.7163.79.100000105.4
239L31.5Very low32.8Very low182 Ų182145.7 Ų145.795%0.95379%0.785SS**  trans-69.7156-157.5-72.173.2000118.2
240H31.7Very low33.4Very low169 Ų169146.9 Ų146.978%0.78278%0.78SS**  trans-59.4-170.8165.8-163.2-132.4000113.7
241P49Very low33.7Very low84 Ų84146.3 Ų146.355%0.54577%0.773SS.*  cis-131171.6-13.51.925.4000116.5
242K32.4Very low34.1Very low192 Ų192146.6 Ų146.684%0.83578%0.78SS**  160.9122.3113.5-82.4-161.7-177.9-177.30114.5
243H30.1Very low34.2Very low181 Ų181145.1 Ų145.184%0.83877%0.772SS**  trans-4.9163.8157.4-82.2-74.7000124.9
244P48.5Very low34.3Very low104 Ų104147 Ų14768%0.67578%0.783SS**  trans-106.8-178.5-146.443.5-35.9000113.4
245L31.2Very low34.5Very low160 Ų160146.2 Ų146.284%0.83879%0.788SS**  trans-170.5126.6148.7-99.9158.7000111.8
246T27.9Very low34.9Very low110 Ų110148.2 Ų148.268%0.67579%0.788SS**  trans65.1136.1139.8-12.10000118.2
247T32.3Very low35Very low110 Ų110147.3 Ų147.368%0.67579%0.792SS**  cis-174.2150.136.7-34.70000110.7
248R32.9Very low35.3Very low221 Ų221143.7 Ų143.783%0.83479%0.786SS**  trans69.6110.9149.7-87177.9165.9-154.5-4.9119
249L30.7Very low35.8Very low143 Ų143146.9 Ų146.975%0.74979%0.791SS**  80.499.870.9-78.3171.8000115
250M37.5Very low36.3Very low160 Ų160146 Ų14679%0.78878%0.782SS**  trans69.7169.5133.5-60.3-66.6124.700118.7
251P42.3Very low36.6Very low106 Ų106146 Ų14669%0.68879%0.788SS**  -125.3151.3-87.130-9.2000112.4T253P251-T253 PolarHBondContact O-N 3.4Å
252T36.7Very low36.1Very low151 Ų151149 Ų14993%0.92680%0.798SS**  trans-88.8108.8-174.7-46.30000112
253T36Very low36.2Very low116 Ų116145.2 Ų145.271%0.71280%0.796SS**  trans-81.6145167.545.60000112.1P251P251-T253 PolarHBondContact O-N 3.4Å
254H36.4Very low36.5Very low195 Ų195144.8 Ų144.890%0.90380%0.796SS**  trans-61.9134.7169.1-72.7-92.8000112.5
255V34.5Very low36Very low136 Ų136149.3 Ų149.382%0.82481%0.805SS**  trans-142.8133.3163.6179.20000110.7
256L35.3Very low36Very low164 Ų164148 Ų14886%0.85981%0.808SS**  trans-64.6146.7175.4-62.6159.6000111.7
257N36.9Very low36.8Very low169 Ų169153.9 Ų153.990%0.90482%0.818SS**  trans-119112.2167-115.6-3.3000109.8
258A37.6Very low36.9Very low93 Ų93158 Ų15877%0.76983%0.83SS**  trans-114.9131162.800000107.3
259T40.4Very low36.9Very low138 Ų138153.9 Ų153.985%0.84783%0.829SS**  trans-151121.2160.3-58.90000108.7
260E42Very low37.6Very low163 Ų163152.8 Ų152.876%0.76283%0.831SS**  trans-67.4154173.5-62.3169.5137.300111.6
261N39.1Very low37.5Very low169 Ų169150.9 Ų150.990%0.90483%0.833SS**  trans-159.4134.8130.1-109.1-27.9000112.7
262I37.6Very low37.3Very low149 Ų149150.7 Ų150.776%0.76484%0.835SS**  trans-91143.4-177.7-64.2159.3000108.8
263S34.3Very low37Very low112 Ų112150.7 Ų150.778%0.78383%0.826SS**  trans-158.494.7158.8169.40000112.7
264M35.7Very low37.1Very low172 Ų172151.8 Ų151.885%0.84783%0.827SS**  trans49.5125.3140.8-56-159.772.100122.2
265K39.3Very low36.9Very low198 Ų198149.3 Ų149.386%0.86182%0.821SS**  trans-42.8139.8159.6-77172.7169.9174.90113.5
266C31.4Very low37Very low134 Ų134149.4 Ų149.491%0.90582%0.821SS**  -144.2125.5126.4-84.20000108.9
267R44.5Very low37.3Very low233 Ų233149.2 Ų149.288%0.87982%0.816SS**  trans-73.9138.4162.9-87.9-175.4169.9-1141.6107.5
268E33.6Very low37.7Very low196 Ų196146.5 Ų146.592%0.91681%0.807SS**  trans174.4102.3138.6-93.2143.7-158.600109.1
269T33.8Very low37.7Very low134 Ų134148.6 Ų148.682%0.82281%0.811SS**  trans-81.9166.5155.845.70000108.8
270P45.3Very low37.9Very low120 Ų120153.6 Ų153.678%0.77981%0.814SS**  cis-137.3170.19.238.5-20.3000113.7
271S34Very low38.2Very low121 Ų121155.1 Ų155.185%0.84682%0.818SS**  trans163.4147.7143.8-179.10000112.2
272S37.8Very low38.6Very low102 Ų102152.7 Ų152.771%0.71381%0.811SS**  trans81.879.8162.2-1720000116.1
273M31.7Very low38.8Very low151 Ų151154.1 Ų154.174%0.74482%0.815SS**  50.2118.491.7-75.5-155.28700115.8
274N36.8Very low39.3Very low139 Ų139158.3 Ų158.374%0.74382%0.819SS**  trans68.8111.3156-51.4-44.2000117.4
275D33Very low40.4Very low143 Ų143159.1 Ų159.177%0.76582%0.818SS**  173.9100.7102.1-156.7-1.9000108.9
276V37.8Very low40.6Very low138 Ų138153.3 Ų153.384%0.83681%0.814SS**  trans-103.398.8173.2178.20000107.8
277Q40.7Very low41.5Very low159 Ų159153.5 Ų153.574%0.74381%0.811SS**PPolyproline II helixtrans-64124.8162.5-80.2-93.2-33.900109.5V279Q277-V279 PolarHBondContact O-N 2.95Å
278P46Very low42Very low112 Ų112151.9 Ų151.973%0.72781%0.81SS**PPolyproline II helixtrans-76.4116.1177.528.1-30.6000110.8R280P278-R280 PolarHBondContact O-N 3.31Å
279V37.5Very low42.9Very low138 Ų138151.9 Ų151.984%0.83681%0.807SS**PPolyproline II helixtrans-57.9123.3170.2173.40000109.9Q277 K281Q277-V279 PolarHBondContact O-N 2.95Å; V279-K281 PolarHBondContact O-N 3.03Å
280R44.7Very low43.9Very low243 Ų243156.4 Ų156.492%0.91781%0.809SS**PPolyproline II helixtrans-56.8120.3178.7-77.2174.9164.4172.5-4.3111.4P278P278-R280 PolarHBondContact O-N 3.31Å
281K47.8Very low44.1Very low194 Ų194160 Ų16084%0.84381%0.813SS**PPolyproline II helixtrans-74.9144.2168.1-69.9178179.6177.50110.8V279V279-K281 PolarHBondContact O-N 3.03Å
282P47.3Very low44.4Very low118 Ų118166 Ų16677%0.76682%0.817SS**PPolyproline II helixtrans-67.9137.9175.825.7-30.6000111.6F284P282-F284 PolarHBondContact O-N 3.07Å; P282-F284 VanDerWaalsContact O-N 3.13Å
283H42.4Very low44.8Very low180 Ų180168.4 Ų168.483%0.83382%0.82SS**  trans-70.699.4-171.1-143.7-64000111.1K285H283-K285 PolarHBondContact O-N 3.27Å
284F43.9Very low44.9Very low200 Ų200170.4 Ų170.488%0.87782%0.821SS**  trans-69111.8167.9-105.1-92.7000109.1P282 G286P282-F284 PolarHBondContact O-N 3.07Å; P282-F284 VanDerWaalsContact O-N 3.13Å; F284-G286 PolarHBondContact O-N 3.43Å
285K58.3Low45.4Very low188 Ų188171.1 Ų171.182%0.81782%0.824SS**  trans-70.5116.1169.9-69.1-168.5179.2-172.70108.2H283 V287H283-K285 PolarHBondContact O-N 3.27Å; K285-V287 PolarHBondContact O-N 3.37Å
286G44.8Very low46.1Very low76 Ų76171.7 Ų171.778%0.78482%0.823SS**  trans-58.1126.1-17600000112.9F284 K288F284-G286 PolarHBondContact O-N 3.43Å; G286-K288 PolarHBondContact O-N 2.93Å
287V49.7Very low46.5Very low139 Ų139169.8 Ų169.884%0.84281%0.813SS**  trans-72.3113.4166.7176.20000107.9K285 K289K285-V287 PolarHBondContact O-N 3.37Å; V287-K289 PolarHBondContact O-N 3Å; V287-K289 VanDerWaalsContact O-N 3.1Å
288K55.1Low46.6Very low198 Ų198171.5 Ų171.586%0.86182%0.818SS**  trans-65.1108.2176.5-168.8172.4-177.3175.20109G286 R290G286-K288 PolarHBondContact O-N 2.93Å; K288-R290 PolarHBondContact O-N 3.15Å; K288-R290 VanDerWaalsContact O-N 3.12Å
289K53.3Low46.3Very low196 Ų196173.6 Ų173.685%0.85282%0.823SS**  trans-56.4115.4171.8-72.4-173175.3-179.60109.1V287 K291V287-K289 PolarHBondContact O-N 3Å; V287-K289 VanDerWaalsContact O-N 3.1Å; K289-K291 PolarHBondContact O-N 3.29Å
290R53.6Low46.5Very low229 Ų229176.7 Ų176.786%0.86483%0.825SS**PPolyproline II helixtrans-72.9116.5170.7-126.1177.3-77.6-173.3-2.6107K288 W292K288-R290 PolarHBondContact O-N 3.15Å; K288-R290 VanDerWaalsContact O-N 3.12Å; R290-W292 PolarHBondContact O-N 3.33Å
291K50.7Low46.4Very low197 Ų197170.9 Ų170.986%0.85782%0.819SS**PPolyproline II helixtrans-70.5117.6169.9-68.7-179.5178.3-1780107K289 I293K289-K291 PolarHBondContact O-N 3.29Å; K291-I293 PolarHBondContact O-N 3.31Å
292W39.1Very low45.7Very low247 Ų247165.1 Ų165.194%0.93682%0.815SS**PPolyproline II helixtrans-72.1116.1166.9-68.693.5000107.3R290R290-W292 PolarHBondContact O-N 3.33Å
293I46.9Very low45.7Very low151 Ų151165.9 Ų165.977%0.77482%0.823SS**PPolyproline II helixtrans-91.5119.1166.4-59173.1000104.9K291 D295K291-I293 PolarHBondContact O-N 3.31Å; I293-D295 PolarHBondContact O-N 3.41Å
294Y34.1Very low45.3Very low194 Ų194160.9 Ų160.976%0.76182%0.82SS**  trans-69.3115.1170-173.4-95.1000107.5E296Y294-E296 HydrophobicContact CD1-CG 4.37Å; Y294-E296 HydrophobicContact CE1-CG 4.28Å
295D45.8Very low44.9Very low153 Ų153159.1 Ų159.182%0.81882%0.816SS**  trans-85.1110.6172.8-136.9-7.6000106.9I293I293-D295 PolarHBondContact O-N 3.41Å
296E49.2Very low43.9Very low156 Ų156160.8 Ų160.873%0.72982%0.818SS**  trans-59.5135.7175.6-91.1-176.2143.500110Y294 K298Y294-E296 HydrophobicContact CD1-CG 4.37Å; Y294-E296 HydrophobicContact CE1-CG 4.28Å; E296-K298 PolarHBondContact O-N 3.44Å; E296-K298 VanDerWaalsContact O-N 3.07Å
297P45.7Very low43.6Very low97 Ų97169 Ų16963%0.6383%0.825SS**  trans-64.4115.7173.125.1-30.3000109.2N299P297-N299 PolarHBondContact O-N 2.87Å
298K43.4Very low43Very low196 Ų196166.8 Ų166.885%0.85282%0.821SS**  trans-55.6107.7173.9-82176.2178.3171.80110.1E296 F300E296-K298 PolarHBondContact O-N 3.44Å; E296-K298 VanDerWaalsContact O-N 3.07Å; K298-F300 PolarHBondContact O-N 3.35Å
299N38.8Very low42.2Very low155 Ų155164.1 Ų164.183%0.82982%0.821SS**PPolyproline II helixtrans-61126.5159.2-73.7-67.7000108.5P297 P301P297-N299 PolarHBondContact O-N 2.87Å; N299-P301 VanDerWaalsContact O-CD 3.27Å; N299-P301 WeakPolarHBondContact O-CD 3.39Å
300F42.3Very low41.7Very low203 Ų203163.5 Ų163.589%0.8982%0.82SS**PPolyproline II helixtrans-69.7119171.6-69.8-86.9000109.4K298K298-F300 PolarHBondContact O-N 3.35Å
301P41.9Very low40.8Very low122 Ų122160 Ų16079%0.79282%0.817SS**PPolyproline II helixtrans-80.6135.7163.631.8-26.7000108.8N299N299-P301 VanDerWaalsContact O-CD 3.27Å; N299-P301 WeakPolarHBondContact O-CD 3.39Å
302G34.4Very low40.5Very low72 Ų72156.4 Ų156.474%0.74281%0.814SS**PPolyproline II helixtrans-62.9163.7-171.700000115.9G304G302-G304 PolarHBondContact O-N 3.37Å
303S46.5Very low40.5Very low135 Ų135150.6 Ų150.694%0.94480%0.801SS**  trans-2.1110.1156.4176.20000116.7
304G33.3Very low40.4Very low74 Ų74149.1 Ų149.176%0.76380%0.802SS**  trans-156.595.3171.300000113G302G302-G304 PolarHBondContact O-N 3.37Å
305M35.9Very low40.9Very low163 Ų163148.9 Ų148.980%0.80381%0.805SS**  trans3.6121.7160.3-152.372.274.100120.8
306R36.8Very low40.3Very low224 Ų224149 Ų14985%0.84580%0.8SS**  trans41.3129.8143.8-65.8-177.1173.3-141.5-1.1120.7
307R38.5Very low40.1Very low249 Ų249150.9 Ų150.994%0.9481%0.806SS**  -156142106.3-105.7-173.9-76.1-158.42.3112.2
308A37.1Very low39.9Very low91 Ų91153.4 Ų153.475%0.75281%0.811SS**  trans-81.1138.3-172.800000112.2
309V39.3Very low39.4Very low143 Ų143148.9 Ų148.987%0.86780%0.804SS**  trans-138.5124.5152.5179.40000107.2
310H41.6Very low39.2Very low182 Ų182152.2 Ų152.284%0.84381%0.807SS**  trans-65.4137.9-179.1-87.6-101.8000112.4
311I36.5Very low39Very low155 Ų155150.6 Ų150.680%0.79580%0.802SS**  trans-135.2138157.8-60.8-179.7000107.1
312P44.2Very low39Very low123 Ų123154 Ų15480%0.79981%0.806SS**  trans-77.2149.2-165.529.3-34.2000114.9
313N38.4Very low39.3Very low124 Ų124157.8 Ų157.866%0.66380%0.804SS**  trans-73.5139.3-176.3179.89.8000114.1K315N313-K315 PolarHBondContact OD1-N 3.47Å
314P44.8Very low39.1Very low121 Ų121158 Ų15879%0.78680%0.795SS**  trans-107.9114.1149.631-20.1000111.3
315K44.6Very low39.9Very low188 Ų188162.9 Ų162.982%0.81780%0.795SS**  trans-71.2122.9176-61.5171.2179.8173.80110.4N313N313-K315 PolarHBondContact OD1-N 3.47Å
316H33.6Very low40.4Very low157 Ų157161.2 Ų161.273%0.72779%0.79SS**  trans-153.7113.1144.7-152.1-61.9000110.9M318H316-M318 WeakPolarHBondContact CE1-CE 3.37Å; H316-M318 WeakPolarHBondContact ND1-CE 3.17Å
317K45.5Very low40.6Very low195 Ų195161.5 Ų161.585%0.84879%0.791SS**  trans-84.9139.1176.1-66-178.1176-176.40109.5
318M40.4Very low40.7Very low149 Ų149157.2 Ų157.273%0.73479%0.786SS**  trans-146.2102.8149.7-41.7-81.7-167.800106.6H316H316-M318 WeakPolarHBondContact CE1-CE 3.37Å; H316-M318 WeakPolarHBondContact ND1-CE 3.17Å
319S33.2Very low40.7Very low101 Ų101156.7 Ų156.771%0.70678%0.782SS**  trans-96.7118.2172.9162.30000106.6
320Y34.1Very low40.8Very low225 Ų225158 Ų15888%0.88278%0.779SS**  trans-95.5101.9167.3-83.9-82.3000108.8
321H39.5Very low40.6Very low170 Ų170156.5 Ų156.579%0.78778%0.777SS**  trans-81.6127.8167.1-120.7-77.2000108.9H323H321-H323 PolarHBondContact O-N 3.05Å
322H41.7Very low40.5Very low192 Ų192153.6 Ų153.689%0.88978%0.777SS**  trans-57.3120.5166-105.9-85.8000109.9
323H40Very low40.4Very low152 Ų152153 Ų15370%0.70478%0.775SS**  trans-114.5108.5166.2-153.9-44000110.1H321H321-H323 PolarHBondContact O-N 3.05Å
324N42.3Very low40.2Very low139 Ų139158.1 Ų158.174%0.74379%0.787SS**  trans-66.3126.4164.3179.60000109.1
325K50.8Low40Very low177 Ų177158.2 Ų158.277%0.7779%0.785SS**  trans-133.492.2164.2-72-157.8178.2-173.10110.6
326N45.6Very low39.8Very low129 Ų129158.3 Ų158.369%0.6979%0.788SS**  trans-60123.3143154.815.5000109.3
327R41.7Very low39.9Very low230 Ų230155.2 Ų155.287%0.86879%0.79SS**  179.3130.5120-130.9170.6178.7-176.3-2.7113
328N40.5Very low39.8Very low158 Ų158152 Ų15285%0.84579%0.789SS**  trans-61.5153.7176-55.5-29.8000114.1
329A36.7Very low39.8Very low81 Ų81155.4 Ų155.467%0.66979%0.794SS**  trans-174.8108.9133.900000108.6
330E42.3Very low39.8Very low170 Ų170156.5 Ų156.579%0.79479%0.792SS**  76.3106114-67172.3-171.500114.7
331N36.5Very low39.9Very low150 Ų150150 Ų15080%0.80279%0.785SS**  168.2125.8112.5-85.1-46.9000112.3
332A34.1Very low39.7Very low95 Ų95149.2 Ų149.279%0.78579%0.791SS**  trans56.7141.9141.900000119.3
333S42.4Very low39.7Very low109 Ų109150.9 Ų150.976%0.76279%0.79SS**  cis175.4118.5-6.246.10000104.5
334Y34.3Very low39.4Very low232 Ų232150.8 Ų150.891%0.9180%0.8SS**  trans-156.1114.1151.3-161.1-108.3000110.4
335T39.9Very low39.1Very low124 Ų124149.8 Ų149.876%0.76180%0.799SS**  trans-73.6145.9-174.2260000113.5
336H40.6Very low38.2Very low190 Ų190146.7 Ų146.788%0.8880%0.795SS**  trans-67.1145.4159.7-77.7-86.6000112
337A37.1Very low37.7Very low92 Ų92147.1 Ų147.176%0.7680%0.797SS**  trans-142.5132.6147.100000108.8
338P41.4Very low37.3Very low128 Ų128143.6 Ų143.683%0.83180%0.795SS**  -126.3127.9118.633.5-25.1000111.1
339R41.3Very low36.9Very low219 Ų219140.4 Ų140.483%0.82679%0.791SS**  trans-99.5152.9163.2-94.4-163-174.8-165.44.6106.6
340D33.3Very low37.3Very low124 Ų124142.3 Ų142.366%0.66380%0.796SS**  cis-158.4136.618.8-88.7-40000106.3
341A35.9Very low37.9Very low89 Ų89140.2 Ų140.274%0.73680%0.797SS**  59.8109.590.500000117.2
342V34.8Very low37.7Very low153 Ų153144.4 Ų144.493%0.92780%0.802SS**  trans-139.1129.6142.7-179.70000109.1
343R42Very low37.7Very low227 Ų227144.9 Ų144.986%0.85780%0.799SS**  trans-87156-179-69173.8167.9136.8-4.7112.1
344T34.4Very low37.6Very low150 Ų150150.4 Ų150.492%0.9280%0.804SS**  trans-152.1149.9133.432.50000112.1
345V34.8Very low38.2Very low119 Ų119145.6 Ų145.672%0.72180%0.801SS**  trans-94.7159-165.6-172.40000109.2
346T32.8Very low38Very low112 Ų112145.4 Ų145.469%0.68780%0.799SS**  168.8137.283.57.80000112.7
347L36.1Very low37.4Very low138 Ų138141.5 Ų141.572%0.72379%0.793SS**  trans73.9114.2134.7-55.8166.4000125.4
348N32.3Very low37Very low155 Ų155147.9 Ų147.983%0.82980%0.798SS**  74.1140.6121.3-63.8-19.8000125.1
349A32Very low36.7Very low92 Ų92145.8 Ų145.876%0.7679%0.787SS**  trans-78.9-163.4-171.600000115.7
350P45.5Very low36.4Very low121 Ų121145.8 Ų145.879%0.78679%0.788SS**  cis-140-166.8-146.5-25.5000115.1
351P53.8Low36.6Very low126 Ų126146.9 Ų146.982%0.81879%0.794SS**  trans-103.6165.3-160.240.2-32.9000116.7
352R32.8Very low36.7Very low238 Ų238152.7 Ų152.790%0.89880%0.803SS**  trans-134.9111171.2-89.4-175.7174.9-118.22.3109
353S33.4Very low36.7Very low105 Ų105149.2 Ų149.273%0.73479%0.79SS**  96.5118.884.469.30000113.5
354R41.1Very low36.2Very low225 Ų225145.3 Ų145.385%0.84979%0.786SS**  trans-68.3164.6171.4-142.5-177.6-155.9-166.55.5111.6
355P46.4Very low36.2Very low130 Ų130142.9 Ų142.984%0.84477%0.77SS**  -149.7175107.834.8-15000117.4
356T35.4Very low36Very low120 Ų120143.4 Ų143.474%0.73677%0.769SS**  trans-95151-171-60.10000113.4
357S28.2Very low36.1Very low108 Ų108147 Ų14776%0.75578%0.775SS**  trans167.1111.5147.6170.10000110.4
358R30.1Very low36.1Very low226 Ų226149 Ų14985%0.85378%0.781SS**  87.3118.771.5-157.1-172.9-160.7-1785.4115.2
359S35.3Very low37Very low85 Ų85146.2 Ų146.259%0.59477%0.771SS**  trans62.1142151.161.90000119.4
360Y33.4Very low37.2Very low219 Ų219150.7 Ų150.786%0.85977%0.774SS**  cis-156.9153.748.7-101.6-93.8000112.6
361N37.7Very low36.5Very low147 Ų147151.2 Ų151.279%0.78677%0.769SS**  trans-68.1149.8163.4-65.5-52.6000112
362K39Very low35.7Very low211 Ų211151.4 Ų151.492%0.91776%0.763SS**  -148.5121.2129.3-79.7-138.8175.2-171.60111.2
363A34Very low35.7Very low79 Ų79148.2 Ų148.265%0.65376%0.763SS**  trans-68.4149.7157.400000109.4
364D31Very low35.9Very low146 Ų146148.3 Ų148.378%0.78176%0.763SS**  171.513590.1-114-12.5000112.1
365V34.8Very low36.2Very low98 Ų98143.7 Ų143.759%0.59476%0.762SS**  68.4108.6129175.80000118.2
366N30.5Very low35.5Very low131 Ų131143 Ų14370%0.70175%0.751SS**  172.9132.9104-102.4-49.5000115.2
367K35.8Very low35.5Very low186 Ų186144.7 Ų144.781%0.80975%0.748SS**  trans83.995.6142.3-50.8-107.6-178.9175.70119.6
368E35.7Very low35.7Very low181 Ų181149.3 Ų149.385%0.84676%0.757SS**  trans-85.6177.6131.9-111.9-179.3-171.800108.9
369P51.9Low35.8Very low96 Ų96146.3 Ų146.362%0.62376%0.755SS**  cis-142.7-166-4.827-0.4000114.1
370K34.3Very low35.8Very low186 Ų186147.3 Ų147.381%0.80976%0.762SS**  trans99.5150.1152.1-65.1176.5179.8175.40117.7
371L32.7Very low35.6Very low133 Ų133142.9 Ų142.970%0.69676%0.758SS**  cis175.5138-28-106.6-178.3000104.1
372N35.9Very low35.8Very low129 Ų129140.9 Ų140.969%0.6976%0.756SS**  trans60.2135.3154.7-54.9-44.3000120.7
373L33.7Very low35.4Very low172 Ų172142 Ų14290%0.90176%0.756SS**  179125119.4-96.2141.6000111.9
374C36.1Very low35.9Very low107 Ų107145.8 Ų145.872%0.72377%0.765SS**  trans-76.7160.9161.9-176.20000109.7
375P49.3Very low36Very low128 Ų128141.9 Ų141.983%0.83176%0.76SS**  trans-130.4149.4136.235.4-23.9000114.9
376D30.3Very low36.4Very low115 Ų115141.9 Ų141.962%0.61576%0.764SS**  trans-80.2152.7-172.7-153.316.3000112.6
377K36.6Very low36.9Very low156 Ų156140.5 Ų140.568%0.67877%0.771SS**  trans30.5123.7147.8-67.6164.1-158.7128.90121
378H30.7Very low37.1Very low204 Ų204143.1 Ų143.194%0.94478%0.775SS**  trans-124.1126.1136.1-116.746.7000109.4
379M33.9Very low37.5Very low164 Ų164145.3 Ų145.381%0.80878%0.776SS**  trans-110.6155.5173.5-80.2-146.973.100110.5
380S33.8Very low37.1Very low106 Ų106152 Ų15274%0.74179%0.789SS**  trans95.1130163.8-35.20000113.8
381T30.4Very low37.5Very low125 Ų125154.6 Ų154.677%0.76779%0.794SS**  cis-162.3143.916.5-290000110.1
382S41.5Very low38.3Very low106 Ų106155.5 Ų155.574%0.74180%0.798SS**  trans19.8121.9150.764.30000122.1
383Y30.6Very low38.9Very low234 Ų234153.8 Ų153.892%0.91879%0.793SS**  -147.8133.4128.3-153.3-101.1000110.8
384N44.3Very low39.3Very low158 Ų158155.1 Ų155.185%0.84579%0.792SS**  trans-67.2143177-106.2-40.6000111.2
385G32.9Very low39.4Very low65 Ų65155.2 Ų155.267%0.6779%0.794SS**  trans179.672.2173.700000116.5
386S42.7Very low39.1Very low97 Ų97158.7 Ų158.768%0.67880%0.796SS**  trans71.681140.2-440000119.3W388S386-W388 PolarHBondContact O-N 3Å; S386-W388 VanDerWaalsContact O-N 3.11Å
387A41Very low39.7Very low103 Ų103159.2 Ų159.285%0.85180%0.803SS**  trans-65.597.815600000111.3R389A387-R389 PolarHBondContact O-N 3.36Å
388W41.3Very low39.7Very low240 Ų240162.6 Ų162.691%0.90981%0.814SS**  trans-82.771.8166.9-74.276.8000110.2S386S386-W388 PolarHBondContact O-N 3Å; S386-W388 VanDerWaalsContact O-N 3.11Å
389R44.8Very low40.4Very low227 Ų227157.6 Ų157.686%0.85780%0.801SS**  trans-80116.4163.5-147.5-173.3-149.6-81.42.4107.3A387 R391A387-R389 PolarHBondContact O-N 3.36Å; R389-R391 PolarHBondContact O-N 3.38Å
390R43.6Very low40.8Very low237 Ų237159.7 Ų159.789%0.89481%0.806SS**  trans-47.6106.6174.8-66.516868.3161.11.5110.3I392R390-I392 PolarHBondContact O-N 3.19Å
391R42.4Very low41.4Very low241 Ų241160 Ų16091%0.90980%0.803SS**  trans-81111.1163-86.4-167.6-72.5-133.6-1.5108R389R389-R391 PolarHBondContact O-N 3.38Å
392I48.2Very low42.1Very low152 Ų152162.5 Ų162.578%0.77981%0.806SS**  trans-71.9122.2159.3-59.5165.3000105.8R390R390-I392 PolarHBondContact O-N 3.19Å
393P49.4Very low42.4Very low92 Ų92166.2 Ų166.260%0.59781%0.809SS**  trans-80.4132.4162.432.6-26.2000107.2
394F40.9Very low43Very low201 Ų201161.1 Ų161.188%0.88280%0.802SS**  trans152.285.4147.9-69-50.2000110.1
395S39.9Very low42.8Very low108 Ų108163.3 Ų163.376%0.75580%0.8SS**  trans-140.995149.259.90000107.7T397S395-T397 PolarHBondContact O-N 3.31Å; S395-T397 VanDerWaalsContact O-N 3.16Å
396K42.4Very low43.6Very low202 Ų202165.3 Ų165.388%0.87880%0.802SS**  trans-70.2104.4166.1-79.1-178177.6176.70107.5Y398K396-Y398 PolarHBondContact O-N 3.12Å
397T42.2Very low43.8Very low125 Ų125169.2 Ų169.277%0.76781%0.809SS**  trans-69.8117160.643.50000108.3S395 S399S395-T397 PolarHBondContact O-N 3.31Å; S395-T397 VanDerWaalsContact O-N 3.16Å; T397-S399 PolarHBondContact O-N 3.1Å; T397-S399 VanDerWaalsContact O-N 3.16Å
398Y38Very low44.1Very low228 Ų228169.5 Ų169.589%0.89480%0.802SS**  trans-68.8104.6164.2-94.8-94.5000108.4K396 K400K396-Y398 PolarHBondContact O-N 3.12Å; Y398-K400 PolarHBondContact O-N 3.36Å
399S45.4Very low44.6Very low98 Ų98168.6 Ų168.669%0.68580%0.799SS**  trans-76.7113.1164.226.70000108.8T397 T401T397-S399 PolarHBondContact O-N 3.1Å; T397-S399 VanDerWaalsContact O-N 3.16Å; S399-T401 PolarHBondContact O-N 3.29Å; S399-T401 VanDerWaalsContact O-N 3.09Å
400K42.3Very low44.6Very low208 Ų208169.5 Ų169.590%0.90480%0.802SS**  trans-63.9103.5169-171.3176.9-176.8-178.80107.7Y398 E402Y398-K400 PolarHBondContact O-N 3.36Å; K400-E402 PolarHBondContact O-N 3.2Å
401T46.3Very low44.4Very low112 Ų112165.2 Ų165.269%0.68780%0.797SS**  trans-84.2108.7168.841.80000108.1S399 K403S399-T401 PolarHBondContact O-N 3.29Å; S399-T401 VanDerWaalsContact O-N 3.09Å; T401-K403 PolarHBondContact O-N 3.13Å
402E44.4Very low44.5Very low178 Ų178157.4 Ų157.483%0.83279%0.792SS**  trans-65.3108.3163.7-174.7173.6-177.800107.8K400K400-E402 PolarHBondContact O-N 3.2Å
403K46.6Very low44.2Very low185 Ų185155.2 Ų155.280%0.80479%0.79SS**  trans-97.1106.3167.2-70.6-160.4178.5-174.90108.1T401 Y405T401-K403 PolarHBondContact O-N 3.13Å; K403-Y405 PolarHBondContact O-N 3.38Å
404V44.8Very low43.9Very low127 Ų127164.1 Ų164.177%0.7782%0.819SS**PPolyproline II helixtrans-54119.7161.4175.60000108
405Y39.5Very low44.1Very low203 Ų203162.3 Ų162.380%0.79682%0.816SS**PPolyproline II helixtrans-88.5128.6171.8-133.9-88.3000108.1K403 E407K403-Y405 PolarHBondContact O-N 3.38Å; Y405-E407 PolarHBondContact O-N 3.33Å
406P49Very low44.3Very low108 Ų108165.2 Ų165.270%0.70182%0.819SS**PPolyproline II helixtrans-75120.8165.528.6-27.7000108.8P408P406-P408 WeakPolarHBondContact O-CD 3.27Å
407E48.1Very low44.4Very low179 Ų179163.1 Ų163.184%0.83682%0.816SS**PPolyproline II helixtrans-61.1123.4176.8-167.6174.5-143.600111.3Y405 R409Y405-E407 PolarHBondContact O-N 3.33Å; E407-R409 PolarHBondContact O-N 3.3Å
408P47.1Very low44.5Very low108 Ų108165.4 Ų165.470%0.70182%0.819SS**  trans-88.2106.4165-4.423.8000108.7P406 R410P406-P408 WeakPolarHBondContact O-CD 3.27Å; P408-R410 PolarHBondContact O-N 3.31Å
409R51Low45Very low222 Ų222161.4 Ų161.484%0.83881%0.814SS**  trans-45.6121.1162.6-75.9-176.5162.2155.2-3.4109.9E407E407-R409 PolarHBondContact O-N 3.3Å
410R44.4Very low44.9Very low246 Ų246165.7 Ų165.793%0.92882%0.823SS**  trans-112.1111.4153.1-85.5-165.8174.9-177.30.1109.3P408P408-R410 PolarHBondContact O-N 3.31Å
411N40.9Very low45.1Very low146 Ų146162.6 Ų162.678%0.78182%0.817SS**  trans-53.1139.7171.3-58.3-34.4000110.4
412G44.4Very low45Very low78 Ų78166.5 Ų166.580%0.80483%0.827SS**  trans-71.2150.9160.400000111.5
413S41.8Very low45.1Very low106 Ų106165.6 Ų165.674%0.74183%0.826SS**  trans-170.2105.4148.8-174.90000105
414K43.2Very low44.9Very low279 Ų279163.8 Ų163.8100%1.21383%0.828SS**  67.60108.9-75.6-173.8175.2179.80113.8

Retrieved 414 of 414 residues in 211.3 ms (Link to these results)