A0A087X6X6_POEFO Loading...

Nucleoporin NUP42

Required for the export of mRNAs containing poly(A) tails from the nucleus into the cytoplasm.

AlphaFold DB , UniProt , Accession A0A087X6X6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M62.3Low82Confident195 Ų195102.1 Ų102.196%0.96153%0.53SS*.  0-165.50-52.9166.6-173.200107E21M1-E21 WeakPolarHBondContact CA-OE2 3.46Å; M1-E21 VanDerWaalsContact CB-CD 3.49Å; M1-E21 HydrophobicContact CB-CG 3.95Å; M1-E21 VanDerWaalsContact CB-OE2 3.25Å; M1-E21 WeakPolarHBondContact CB-OE2 3.33Å; M1-E21 HydrophobicContact CG-CG 4.47Å; M1-E21 PolarHBondContact N-OE2 2.95Å; M1-E21 HydrophobicContact SD-CG 4.17Å
2V81.6Confident82.2Confident101 Ų10195.8 Ų95.861%0.61250%0.501SS*.  trans-89.3127.1178.1-176.10000109.7N20 E21V2-N20 CarbonylContact O-C 3.48Å; V2-N20 VanDerWaalsContact O-CA 3.3Å; V2-N20 WeakPolarHBondContact O-CA 3.49Å; V2-N20 VanDerWaalsContact O-CB 3.28Å; V2-N20 WeakPolarHBondContact O-CB 3.43Å; V2-E21 PolarHBondContact O-N 3.05Å
3V86.1Confident82.4Confident58 Ų58106.8 Ų106.835%0.35253%0.532SS..BIsolated β-bridgetrans-72.8139.3176.8172.10000110.8N5 L8 E21 P23V3-N5 PolarHBondContact O-N 3.14Å; V3-N5 VanDerWaalsContact O-N 3.11Å; V3-L8 HydrophobicContact CG1-CD1 3.81Å; V3-L8 HydrophobicContact CG1-CD2 4.1Å; V3-L8 HydrophobicContact CG1-CG 3.94Å; V3-E21 WeakPolarHBondContact CA-O 3.3Å; V3-P23 HydrophobicContact CG1-CG 3.82Å; V3-P23 HydrophobicContact CG2-CG 4.41Å
4C84.8Confident82.4Confident2 Ų2111.4 Ų111.41%0.01454%0.542CS..  trans-72.8105-179-1730000111.8F6 F7 L8 N20 E21 H22C4-F6 PolarHBondContact O-N 3Å; C4-F7 HydrophobicContact CB-CB 3.7Å; C4-F7 WeakPolarHBondContact O-CA 3.48Å; C4-F7 WeakPolarHBondContact O-CB 3.42Å; C4-F7 PolarHBondContact O-N 3.13Å; C4-F7 PolarHBondContact SG-N 3.17Å; C4-L8 PolarHBondContact O-N 3.21Å; C4-L8 VanDerWaalsContact O-N 3.11Å; C4-N20 HydrophobicContact CB-CB 3.54Å; C4-E21 PolarHBondContact N-O 3.25Å; C4-H22 VanDerWaalsContact CB-CD2 3.48Å; C4-H22 WeakPolarHBondContact CB-CD2 3.48Å
5N85.6Confident82.1Confident96 Ų96106.1 Ų106.151%0.51353%0.528SS..Hα-helixtrans-55.8-37.6175.2-167.79.2000112.2V3 F7 L8 Q9V3-N5 PolarHBondContact O-N 3.14Å; V3-N5 VanDerWaalsContact O-N 3.11Å; N5-F7 VanDerWaalsContact C-N 3.28Å; N5-F7 PolarHBondContact O-N 3.13Å; N5-L8 PolarHBondContact O-N 3.34Å; N5-Q9 VanDerWaalsContact O-CG 3.29Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.3Å; N5-Q9 VanDerWaalsContact O-N 3.13Å; N5-Q9 PolarHBondContact OD1-NE2 3.08Å
6F83.9Confident81.8Confident128 Ų128107.3 Ų107.356%0.56154%0.537SS*.Hα-helixtrans-67-26.2175.4-59.8-74.8000113.4C4 G10 R11 C12C4-F6 PolarHBondContact O-N 3Å; F6-G10 PolarHBondContact O-N 3.05Å; F6-R11 CarbonylContact O-C 3.49Å; F6-R11 WeakPolarHBondContact O-CA 3.18Å; F6-R11 PolarHBondContact O-N 3.01Å; F6-C12 HydrophobicContact CB-CB 4.14Å; F6-C12 PolarHBondContact O-N 3.45Å
7F83.3Confident81.5Confident70 Ų70112.5 Ų112.531%0.30756%0.555SS.*Hα-helixtrans-76.5-43.4174.8176.6-106000111.6C4 N5 Q9 G10 C12 H22C4-F7 HydrophobicContact CB-CB 3.7Å; C4-F7 WeakPolarHBondContact O-CA 3.48Å; C4-F7 WeakPolarHBondContact O-CB 3.42Å; C4-F7 PolarHBondContact O-N 3.13Å; C4-F7 PolarHBondContact SG-N 3.17Å; N5-F7 VanDerWaalsContact C-N 3.28Å; N5-F7 PolarHBondContact O-N 3.13Å; F7-Q9 PolarHBondContact O-N 3.17Å; F7-G10 PolarHBondContact O-N 3.23Å; F7-C12 HydrophobicContact CB-CB 4Å; F7-H22 VanDerWaalsContact CB-CD2 3.47Å; F7-H22 WeakPolarHBondContact CB-CD2 3.45Å; F7-H22 WeakPolarHBondContact CB-NE2 3.46Å; F7-H22 HydrophobicContact CD1-CB 3.8Å; F7-H22 AromaticContact CD1-CG 3.82Å; F7-H22 HydrophobicContact CD2-CB 4.05Å; F7-H22 AromaticContact CD2-CD2 3.86Å; F7-H22 AromaticContact CD2-CE1 3.43Å; F7-H22 VanDerWaalsContact CD2-CE1 3.43Å; F7-H22 WeakPolarHBondContact CD2-CE1 3.29Å; F7-H22 AromaticContact CD2-CG 3.46Å; F7-H22 VanDerWaalsContact CD2-CG 3.46Å; F7-H22 AromaticContact CD2-ND1 3.18Å; F7-H22 WeakPolarHBondContact CD2-ND1 3.18Å; F7-H22 AromaticContact CD2-NE2 3.84Å; F7-H22 HydrophobicContact CE1-CB 3.71Å; F7-H22 HydrophobicContact CE2-CB 3.96Å; F7-H22 AromaticContact CE2-CG 3.81Å; F7-H22 AromaticContact CE2-ND1 3.5Å; F7-H22 HydrophobicContact CG-CB 3.96Å; F7-H22 AromaticContact CG-CD2 3.52Å; F7-H22 AromaticContact CG-CE1 3.84Å; F7-H22 AromaticContact CG-CG 3.45Å; F7-H22 VanDerWaalsContact CG-CG 3.45Å; F7-H22 AromaticContact CG-ND1 3.68Å; F7-H22 AromaticContact CG-NE2 3.76Å; F7-H22 HydrophobicContact CZ-CB 3.79Å
8L83Confident81.7Confident116 Ų116107.9 Ų107.961%0.60754%0.536SS*.Hα-helixtrans-56.8-30.4172.2-62.4177.5000112V3 C4 N5 P23V3-L8 HydrophobicContact CG1-CD1 3.81Å; V3-L8 HydrophobicContact CG1-CD2 4.1Å; V3-L8 HydrophobicContact CG1-CG 3.94Å; C4-L8 PolarHBondContact O-N 3.21Å; C4-L8 VanDerWaalsContact O-N 3.11Å; N5-L8 PolarHBondContact O-N 3.34Å; L8-P23 HydrophobicContact CD2-CG 4.27Å
9Q81.7Confident81.7Confident95 Ų95115.4 Ų115.444%0.44456%0.557SS.*THydrogen-bonded Turntrans-88.51.5175.5-64.2172.925.500114.5N5 F7 R11N5-Q9 VanDerWaalsContact O-CG 3.29Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.3Å; N5-Q9 VanDerWaalsContact O-N 3.13Å; N5-Q9 PolarHBondContact OD1-NE2 3.08Å; F7-Q9 PolarHBondContact O-N 3.17Å; Q9-R11 PolarHBondContact O-N 3.13Å
10G82.4Confident81.9Confident72 Ų72112.2 Ų112.274%0.74254%0.543SS*.THydrogen-bonded Turntrans67.816.7-17800000115.3F6 F7F6-G10 PolarHBondContact O-N 3.05Å; F7-G10 PolarHBondContact O-N 3.23Å
11R86.9Confident81.9Confident190 Ų190110.8 Ų110.872%0.71754%0.536SS*.  trans-111.3-1.1-173.8-68175.2-176.8-162.80.2114.1F6 Q9 R13F6-R11 CarbonylContact O-C 3.49Å; F6-R11 WeakPolarHBondContact O-CA 3.18Å; F6-R11 PolarHBondContact O-N 3.01Å; Q9-R11 PolarHBondContact O-N 3.13Å; R11-R13 PolarHBondContact O-N 3.34Å
12C85.3Confident83.1Confident27 Ų27102.9 Ų102.918%0.18250%0.497CS..  trans-67.8114.6-179.4-173.90000111.4F6 F7 Y14 C18 H22F6-C12 HydrophobicContact CB-CB 4.14Å; F6-C12 PolarHBondContact O-N 3.45Å; F7-C12 HydrophobicContact CB-CB 4Å; C12-Y14 VanDerWaalsContact C-N 3.28Å; C12-Y14 PolarHBondContact O-N 3.49Å; C12-C18 VanDerWaalsContact SG-SG 3.65Å; C12-H22 PolarHBondContact SG-CE1 3.18Å; C12-H22 PolarHBondContact SG-NE2 3.08Å
13R83.7Confident82.7Confident238 Ų238101.3 Ų101.390%0.89849%0.488SS*.THydrogen-bonded Turntrans-78.7-9.1178.4-57.7-165.871.5157.83.1114.2R11R11-R13 PolarHBondContact O-N 3.34Å
14Y82.9Confident82.1Confident171 Ų171107.3 Ų107.367%0.67150%0.504SS*.THydrogen-bonded Turntrans-96.4-12.4-171.4-59.9-76.4000114.1C12 K17C12-Y14 VanDerWaalsContact C-N 3.28Å; C12-Y14 PolarHBondContact O-N 3.49Å; Y14-K17 WeakPolarHBondContact O-CB 3.41Å; Y14-K17 PolarHBondContact O-N 3.11Å
15G77.4Confident80.4Confident33 Ų33110.7 Ų110.734%0.3454%0.54SS..G310 helixtrans52.7-142.2179.100000112.4K17 C18 H22G15-K17 PolarHBondContact O-N 2.86Å; G15-C18 WeakPolarHBondContact O-CB 3.35Å; G15-C18 PolarHBondContact O-N 3.45Å; G15-H22 VanDerWaalsContact C-CE1 3.47Å; G15-H22 PolarHBondContact O-CE1 3.1Å; G15-H22 PolarHBondContact O-ND1 3.39Å; G15-H22 VanDerWaalsContact O-ND1 3.14Å
16D77.3Confident78.4Confident124 Ų124110.2 Ų110.266%0.66356%0.557SS**G310 helixtrans-64.5-0.3178.2-56.3-41.3000114.3R24D16-R24 IonicContact OD1-CZ 2.99Å; D16-R24 IonicContact OD1-NE 2.68Å; D16-R24 IonicContact OD1-NH2 3.31Å; D16-R24 PolarHBondContact OD1-NH2 3.05Å; D16-R24 IonicContact OD2-NH2 3.42Å; D16-R24 PolarHBondContact OD2-NH2 2.85Å
17K77.7Confident76.2Confident196 Ų196109.9 Ų109.985%0.85257%0.571SS**G310 helixtrans-101.612.3172.5-57.6-178179.5-178.30113Y14 G15Y14-K17 WeakPolarHBondContact O-CB 3.41Å; Y14-K17 PolarHBondContact O-N 3.11Å; G15-K17 PolarHBondContact O-N 2.86Å
18C83.9Confident74.2Confident31 Ų31118.2 Ų118.221%0.20960%0.6CS.*  trans-69.8141.8175-162.20000111C12 G15 N20 H22C12-C18 VanDerWaalsContact SG-SG 3.65Å; G15-C18 WeakPolarHBondContact O-CB 3.35Å; G15-C18 PolarHBondContact O-N 3.45Å; C18-N20 PolarHBondContact O-N 3.27Å; C18-H22 WeakPolarHBondContact CB-NE2 3.43Å
19W82.6Confident71.9Confident249 Ų249116.6 Ų116.694%0.94361%0.612SS**SBendtrans-61.8-28.2173.2-179.7-93.8000113.1
20N85.1Confident69.7Low51 Ų51116.1 Ų116.127%0.27363%0.633SS.*SBendtrans-101.8142.6-179.9-71.5-17.5000110.3V2 C4 C18 H22V2-N20 CarbonylContact O-C 3.48Å; V2-N20 VanDerWaalsContact O-CA 3.3Å; V2-N20 WeakPolarHBondContact O-CA 3.49Å; V2-N20 VanDerWaalsContact O-CB 3.28Å; V2-N20 WeakPolarHBondContact O-CB 3.43Å; C4-N20 HydrophobicContact CB-CB 3.54Å; C18-N20 PolarHBondContact O-N 3.27Å; N20-H22 PolarHBondContact O-CD2 3.37Å; N20-H22 VanDerWaalsContact O-CD2 3.29Å
21E82.6Confident67.3Low83 Ų83116.1 Ų116.139%0.38863%0.632SS.*BIsolated β-bridgetrans-61138.6-173.6-76.4175.4139.900112.4M1 V2 V3 C4 P23M1-E21 WeakPolarHBondContact CA-OE2 3.46Å; M1-E21 VanDerWaalsContact CB-CD 3.49Å; M1-E21 HydrophobicContact CB-CG 3.95Å; M1-E21 VanDerWaalsContact CB-OE2 3.25Å; M1-E21 WeakPolarHBondContact CB-OE2 3.33Å; M1-E21 HydrophobicContact CG-CG 4.47Å; M1-E21 PolarHBondContact N-OE2 2.95Å; M1-E21 HydrophobicContact SD-CG 4.17Å; V2-E21 PolarHBondContact O-N 3.05Å; V3-E21 WeakPolarHBondContact CA-O 3.3Å; C4-E21 PolarHBondContact N-O 3.25Å; E21-P23 VanDerWaalsContact O-CD 3.25Å; E21-P23 WeakPolarHBondContact O-CD 3.18Å
22H87.1Confident64.6Low30 Ų30110 Ų11014%0.13963%0.629CS.*  trans-105.992.3173.9-75.6-165.8000108.7C4 F7 C12 G15 C18 N20 R24C4-H22 VanDerWaalsContact CB-CD2 3.48Å; C4-H22 WeakPolarHBondContact CB-CD2 3.48Å; F7-H22 VanDerWaalsContact CB-CD2 3.47Å; F7-H22 WeakPolarHBondContact CB-CD2 3.45Å; F7-H22 WeakPolarHBondContact CB-NE2 3.46Å; F7-H22 HydrophobicContact CD1-CB 3.8Å; F7-H22 AromaticContact CD1-CG 3.82Å; F7-H22 HydrophobicContact CD2-CB 4.05Å; F7-H22 AromaticContact CD2-CD2 3.86Å; F7-H22 AromaticContact CD2-CE1 3.43Å; F7-H22 VanDerWaalsContact CD2-CE1 3.43Å; F7-H22 WeakPolarHBondContact CD2-CE1 3.29Å; F7-H22 AromaticContact CD2-CG 3.46Å; F7-H22 VanDerWaalsContact CD2-CG 3.46Å; F7-H22 AromaticContact CD2-ND1 3.18Å; F7-H22 WeakPolarHBondContact CD2-ND1 3.18Å; F7-H22 AromaticContact CD2-NE2 3.84Å; F7-H22 HydrophobicContact CE1-CB 3.71Å; F7-H22 HydrophobicContact CE2-CB 3.96Å; F7-H22 AromaticContact CE2-CG 3.81Å; F7-H22 AromaticContact CE2-ND1 3.5Å; F7-H22 HydrophobicContact CG-CB 3.96Å; F7-H22 AromaticContact CG-CD2 3.52Å; F7-H22 AromaticContact CG-CE1 3.84Å; F7-H22 AromaticContact CG-CG 3.45Å; F7-H22 VanDerWaalsContact CG-CG 3.45Å; F7-H22 AromaticContact CG-ND1 3.68Å; F7-H22 AromaticContact CG-NE2 3.76Å; F7-H22 HydrophobicContact CZ-CB 3.79Å; C12-H22 PolarHBondContact SG-CE1 3.18Å; C12-H22 PolarHBondContact SG-NE2 3.08Å; G15-H22 VanDerWaalsContact C-CE1 3.47Å; G15-H22 PolarHBondContact O-CE1 3.1Å; G15-H22 PolarHBondContact O-ND1 3.39Å; G15-H22 VanDerWaalsContact O-ND1 3.14Å; C18-H22 WeakPolarHBondContact CB-NE2 3.43Å; N20-H22 PolarHBondContact O-CD2 3.37Å; N20-H22 VanDerWaalsContact O-CD2 3.29Å; H22-R24 PolarHBondContact O-N 3.39Å
23P73.9Confident62Low67 Ų67119.6 Ų119.644%0.43566%0.663SS.*  trans-65100.2177.925.7-33.8000109.5V3 L8 E21 G25V3-P23 HydrophobicContact CG1-CG 3.82Å; V3-P23 HydrophobicContact CG2-CG 4.41Å; L8-P23 HydrophobicContact CD2-CG 4.27Å; E21-P23 VanDerWaalsContact O-CD 3.25Å; E21-P23 WeakPolarHBondContact O-CD 3.18Å; P23-G25 PolarHBondContact O-N 2.99Å
24R72.2Confident59.8Low184 Ų184114.8 Ų114.869%0.69466%0.655SS**  trans-63.6106.9168.6-74.1-175.8-179.4-178.60.5107.3D16 H22 G26D16-R24 IonicContact OD1-CZ 2.99Å; D16-R24 IonicContact OD1-NE 2.68Å; D16-R24 IonicContact OD1-NH2 3.31Å; D16-R24 PolarHBondContact OD1-NH2 3.05Å; D16-R24 IonicContact OD2-NH2 3.42Å; D16-R24 PolarHBondContact OD2-NH2 2.85Å; H22-R24 PolarHBondContact O-N 3.39Å; R24-G26 PolarHBondContact O-N 2.76Å
25G50.6Low57.4Low74 Ų74112.2 Ų112.276%0.76365%0.652SS**  trans-51.6126.8177.900000110.3P23P23-G25 PolarHBondContact O-N 2.99Å
26G43.8Very low55.2Low85 Ų85114.6 Ų114.688%0.87666%0.664SS**  trans-62.7137.4-172.300000112R24R24-G26 PolarHBondContact O-N 2.76Å
27S36.9Very low53.1Low121 Ų121119 Ų11985%0.84667%0.673SS**  trans-117.4133.1166.9-152.20000109.9G29S27-G29 PolarHBondContact O-N 3.31Å
28R41.9Very low50.8Low245 Ų245114.7 Ų114.793%0.92567%0.667SS**  trans-71.2126-179.3-67.3171.1171.9174.9-4.3110
29G34.3Very low48.3Very low83 Ų83124.4 Ų124.486%0.85670%0.7SS**  trans73.1132.8148.400000118.3S27S27-G29 PolarHBondContact O-N 3.31Å
30G34.8Very low45.8Very low85 Ų85117.7 Ų117.788%0.87669%0.691SS**  trans123.5104.8149.600000116.4
31G32.2Very low43.2Very low71 Ų71119.1 Ų119.173%0.73272%0.718SS**  trans87.869.1133.600000119.3
32G30.3Very low40.6Very low62 Ų62118.8 Ų118.864%0.63974%0.737SS**  80.1158.4111.800000121.7
33Y31.6Very low39.2Very low229 Ų229123.3 Ų123.390%0.89877%0.769SS**  trans84.9125157.5-40-65.5000118.4
34N36.7Very low37.6Very low137 Ų137126.3 Ų126.373%0.73379%0.788SS**  trans-88.8-177178.5-176.430.5000110.3
35D32.3Very low35.8Very low116 Ų116126.7 Ų126.762%0.6280%0.798SS**  trans100.390.7154.7-72.2-68.5000119.6
36S32.5Very low35.6Very low84 Ų84129 Ų12959%0.58780%0.799SS**  56.7131.3102.4810000121
37Y31.5Very low35Very low215 Ų215137.1 Ų137.184%0.84380%0.804SS**  trans63.6124.3160.1-75.1-77.8000122.4
38S30.8Very low34.6Very low106 Ų106135 Ų13574%0.74180%0.801SS**  trans89.7124.1138.5-620000122.6
39R30.6Very low34Very low235 Ų235127.5 Ų127.589%0.88780%0.799SS**  trans78.8111.6139.4-108.6-175.1177.3-174.3-1.6122.3
40S31.1Very low33.8Very low108 Ų108127 Ų12776%0.75580%0.795SS**  59.7120.9127.260.80000122.7
41G30.1Very low33.7Very low82 Ų82125.9 Ų125.985%0.84578%0.783SS**  124.1117.8123.200000119.1
42G28.2Very low33.7Very low76 Ų76133.6 Ų133.678%0.78479%0.792SS**  trans100.1138.4150.700000117.7
43P56.4Low34Very low125 Ų125134.2 Ų134.281%0.81280%0.798SS**  trans-99.3170.9-179.539.8-35.5000113.5
44P40.3Very low34.5Very low129 Ų129130.6 Ų130.684%0.83879%0.794SS**  -138.6159.5125.333.2-19000115.6
45Q34.9Very low34.8Very low192 Ų192135.3 Ų135.390%0.89780%0.802SS**  trans-81.1168176.6-99.8-169.7-15.400113.6
46P46.5Very low35.2Very low123 Ų123135.4 Ų135.480%0.79981%0.807SS**  trans-92.4154.2-167.336.5-35.9000115.1
47R30.6Very low35.4Very low256 Ų256142.7 Ų142.797%0.96682%0.821SS**  trans-140.3125.8164.5-171.5-177.8-172.7-1773.3106.4
48G29.2Very low36.3Very low77 Ų77137.8 Ų137.879%0.79481%0.813SS**  cis140.7111.82.800000109.4
49G29.5Very low36.6Very low86 Ų86138 Ų13889%0.88781%0.806SS**  trans122.3129.3176.700000113.8
50G30.6Very low37.3Very low73 Ų73132.7 Ų132.775%0.75380%0.802SS**  cis175.5165.1-6.400000113.6
51G31Very low38.1Very low62 Ų62131.8 Ų131.864%0.63980%0.796SS**  trans79.3138.7169.600000115.9
52Y33.8Very low39.2Very low233 Ų233135.8 Ų135.891%0.91479%0.793SS**  cis-163.1162.4-2.9-6.4-106.5000108.3
53G36.8Very low39.9Very low75 Ų75141.3 Ų141.377%0.77380%0.798SS**  trans102.366.7153.400000118R55G53-R55 PolarHBondContact O-N 2.9Å
54N40.4Very low39.2Very low152 Ų152147.6 Ų147.681%0.81381%0.805SS**  trans-35.5122167.8-59.3-22.6000115.7
55R44.2Very low38.9Very low236 Ų236144.1 Ų144.189%0.89179%0.793SS**  trans-123.7100.5136.1-95.1-167.1-75178.2-5.7108.7G53 W57G53-R55 PolarHBondContact O-N 2.9Å; R55-W57 PolarHBondContact O-N 3.12Å; R55-W57 VanDerWaalsContact O-N 3.13Å
56V41.2Very low39.6Very low119 Ų119138.4 Ų138.472%0.72179%0.786SS**  trans-63.9109.9173.21770000107.8V58V56-V58 HydrophobicContact CG1-CG2 4.48Å; V56-V58 PolarHBondContact O-N 3.13Å; V56-V58 VanDerWaalsContact O-N 3.12Å
57W35.6Very low39.1Very low237 Ų237143.1 Ų143.190%0.89879%0.789SS**  trans-70.5103.4163.5-8981.8000107.8R55 N59R55-W57 PolarHBondContact O-N 3.12Å; R55-W57 VanDerWaalsContact O-N 3.13Å; W57-N59 PolarHBondContact O-N 3.44Å
58V49.8Very low39.5Very low111 Ų111138.8 Ų138.867%0.67378%0.783SS**  trans-65132.6174.1-175.20000108.3V56V56-V58 HydrophobicContact CG1-CG2 4.48Å; V56-V58 PolarHBondContact O-N 3.13Å; V56-V58 VanDerWaalsContact O-N 3.12Å
59N38Very low39.7Very low112 Ų112143 Ų14360%0.59978%0.783SS**  trans-63.3126.3-178.3-167.64.3000110.3W57 S61W57-N59 PolarHBondContact O-N 3.44Å; N59-S61 PolarHBondContact ND2-OG 2.86Å; N59-S61 PolarHBondContact O-N 2.97Å
60P45.3Very low40Very low123 Ų123144.6 Ų144.680%0.79978%0.777SS**THydrogen-bonded Turntrans-63.13.7-175.6-26.436.1000117.1
61S47.8Very low40.1Very low89 Ų89146.5 Ų146.562%0.62278%0.779SS**THydrogen-bonded Turntrans-90.52.3-176.258.30000115.7N59N59-S61 PolarHBondContact ND2-OG 2.86Å; N59-S61 PolarHBondContact O-N 2.97Å
62Q52.6Low40.2Very low166 Ų166148.3 Ų148.378%0.77678%0.782SS**SBendtrans-118.36.6-171.3-69.8-160.70.900117.4
63Q44.1Very low40.2Very low191 Ų191146.6 Ų146.689%0.89378%0.779SS**  trans-103.8102.5172.2-73.8-171.3-21.300111.9
64R40.5Very low40.1Very low257 Ų257148.5 Ų148.597%0.9778%0.781SS**  trans-70124.3160.6-67.4-167.1-175.3-80.15.9108.3
65G35.5Very low39.7Very low57 Ų57147 Ų14759%0.58878%0.782SS**  trans-172.631.9-174.100000116.7Y67G65-Y67 WeakPolarHBondContact O-CE2 3.43Å
66G48.7Very low39.3Very low71 Ų71144.8 Ų144.873%0.73278%0.782SS**  trans52.885.8155.300000120.5
67Y35.1Very low38.9Very low222 Ų222142.3 Ų142.387%0.87178%0.781SS**  trans-140.1127.7150.7-52-80.2000110.8G65G65-Y67 WeakPolarHBondContact O-CE2 3.43Å
68I39.7Very low39Very low165 Ų165135.8 Ų135.885%0.84677%0.771SS**  trans19.4116.3160.8-49.1176.9000118.5
69Q34.3Very low38.3Very low167 Ų167135.8 Ų135.878%0.7878%0.776SS**PPolyproline II helixtrans-76.5143168.5-68.7-174.6-97.300113.3
70P34.5Very low38.1Very low118 Ų118137.1 Ų137.177%0.76678%0.783SS**PPolyproline II helixtrans-98.9152.2134.633.3-29.8000111.1
71S32.6Very low37.5Very low113 Ų113143.2 Ų143.279%0.7979%0.791SS**PPolyproline II helixtrans-63.9135.3-165.7-52.10000115.1
72S34.3Very low36.8Very low100 Ų100142.4 Ų142.470%0.69980%0.796SS**PPolyproline II helixtrans-77.3134.1175.9-48.70000112.4
73F33.3Very low35.9Very low197 Ų197140.7 Ų140.786%0.86480%0.803SS**PPolyproline II helixtrans-101.2128.3154.835.7-93.2000108.8S75F73-S75 PolarHBondContact O-N 3.5Å
74S34.3Very low35.6Very low115 Ų115135 Ų13580%0.80480%0.795SS**  trans-78.3114.5-164.6-53.10000113.3Q76S74-Q76 PolarHBondContact O-N 2.88Å
75S33.1Very low35.5Very low120 Ų120134.7 Ų134.784%0.83979%0.794SS**  trans-94.973.216665.70000111.2F73F73-S75 PolarHBondContact O-N 3.5Å
76Q36.1Very low35.5Very low190 Ų190135.9 Ų135.989%0.88881%0.806SS**  trans-105.2108.8171.4-163.875.517.200108.8S74S74-Q76 PolarHBondContact O-N 2.88Å
77G31.3Very low34.9Very low68 Ų68136.6 Ų136.670%0.70181%0.814SS**  trans-179.5102.1179.400000112
78S37.8Very low34.9Very low100 Ų100130.1 Ų130.170%0.69981%0.814SS**  trans-60.8149.1-176.9-1710000112.7D80S78-D80 WeakPolarHBondContact CB-OD2 3.18Å; S78-D80 PolarHBondContact O-N 2.9Å; S78-D80 PolarHBondContact OG-OD2 2.84Å
79S34.6Very low34.7Very low110 Ų110126.2 Ų126.277%0.76982%0.815SS**  trans-91.179.9169.4-60.60000110.4
80D35.6Very low34.7Very low141 Ų141122.4 Ų122.475%0.75482%0.821SS**  trans-101.4120.6174.1-86.3-80.6000111.4S78S78-D80 WeakPolarHBondContact CB-OD2 3.18Å; S78-D80 PolarHBondContact O-N 2.9Å; S78-D80 PolarHBondContact OG-OD2 2.84Å
81W31.6Very low34.6Very low251 Ų251120.7 Ų120.795%0.95182%0.824SS**  trans-94.5113.2-176.3-84.154.2000111.7
82G33.5Very low34.6Very low72 Ų72119.5 Ų119.574%0.74283%0.829SS**  trans84.7118.614700000118.3
83S34.3Very low34.5Very low130 Ų130118.5 Ų118.591%0.90984%0.835SS**  trans-178.1125.7133.5-82.80000109.5
84G37.7Very low34.8Very low71 Ų71118.9 Ų118.973%0.73284%0.84SS**  trans-88.5154.8176.900000112.9
85R38.2Very low34.8Very low250 Ų250117.1 Ų117.194%0.94384%0.84SS**  trans-167.7135.7150.4-102.4155-160.6-81.10.6109.8
86G35.6Very low35.2Very low82 Ų82115.7 Ų115.785%0.84584%0.844SS**  trans-88-166.3-166.500000117.8
87G34.6Very low35.2Very low87 Ų87110.2 Ų110.290%0.89784%0.838SS**  trans98.9133.5178.300000112.9
88G36.2Very low36.1Very low85 Ų85119.1 Ų119.188%0.87685%0.851SS**  cis135.7122.5-3.200000112
89G35.2Very low36.1Very low83 Ų83125.3 Ų125.386%0.85686%0.859SS**  trans114.6101.4162.700000118
90G33.8Very low36.6Very low88 Ų88129.5 Ų129.591%0.90787%0.867SS**  75131115.300000121.9
91G32.6Very low36.6Very low82 Ų82129.5 Ų129.585%0.84587%0.867SS**  trans125.588.1130.900000119.5
92G33.2Very low37.1Very low87 Ų87125.3 Ų125.390%0.89786%0.862SS**  trans67160.8131.700000121.9
93G32.9Very low37.1Very low80 Ų80130 Ų13083%0.82586%0.862SS**  trans119.8112.9158.800000115.8
94E38.3Very low37.5Very low204 Ų204129.2 Ų129.295%0.95386%0.856SS**  trans-70.8158.1170.4-61.3136.595.600112.5
95G34.6Very low37.8Very low79 Ų79129.6 Ų129.681%0.81485%0.848SS**  trans156.8111.2167.600000113.7
96G42.2Very low37.9Very low89 Ų89124.8 Ų124.892%0.91884%0.841SS**  trans-72.6143.8-178.900000113.8
97G34.7Very low38Very low75 Ų75130.3 Ų130.377%0.77384%0.842SS**  trans179.2118.3172.100000112.6R99G97-R99 PolarHBondContact O-N 3.06Å; G97-R99 VanDerWaalsContact O-N 3.11Å
98R50.8Low38.1Very low256 Ų256131.2 Ų131.297%0.96683%0.834SS**  trans-65.9108.2174.9-68.4-179.3-179.2-175-0.4110.4
99R38.2Very low38.3Very low230 Ų230136.5 Ų136.587%0.86883%0.834SS**  trans-143126152.9-72.6-165.8176.4177-0.4109.5G97 N101G97-R99 PolarHBondContact O-N 3.06Å; G97-R99 VanDerWaalsContact O-N 3.11Å; R99-N101 PolarHBondContact O-N 3.37Å
100E44Very low38.8Very low198 Ų198137.1 Ų137.193%0.92583%0.825SS**  trans-67.4111.8173.1-69.3164-146.600108.8
101N36.4Very low39.7Very low141 Ų141138.4 Ų138.475%0.75482%0.82SS**  trans-138.483.9175.9-149.5-67.1000107.8R99 K103R99-N101 PolarHBondContact O-N 3.37Å; N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 2.97Å
102L42.5Very low40.7Very low162 Ų162139.1 Ų139.185%0.84881%0.812SS**  trans-68.890.2-178.8-75.5162000109.7S104L102-S104 PolarHBondContact O-N 3.19Å; L102-S104 PolarHBondContact O-OG 2.8Å
103K33.8Very low42Very low170 Ų170140.9 Ų140.974%0.73980%0.801SS**  trans-54.3109177.1-157.485.7171.1-170.90109.6N101 S105N101-K103 VanDerWaalsContact C-N 3.33Å; N101-K103 PolarHBondContact O-N 2.97Å; K103-S105 VanDerWaalsContact C-N 3.27Å; K103-S105 PolarHBondContact O-N 3.29Å
104S41.9Very low43Very low114 Ų114148.5 Ų148.580%0.79781%0.805SS**  trans-81.466.8-174.3-43.80000111.8L102L102-S104 PolarHBondContact O-N 3.19Å; L102-S104 PolarHBondContact O-OG 2.8Å
105S44.7Very low43.4Very low80 Ų80146.1 Ų146.156%0.55979%0.791SS**  trans-132.16.8-172.950.40000116.7K103K103-S105 VanDerWaalsContact C-N 3.27Å; K103-S105 PolarHBondContact O-N 3.29Å
106D40.3Very low44.3Very low148 Ų148145.9 Ų145.979%0.79178%0.777SS**  trans-115.830.6-179.4-70.3-68.3000114.3S108D106-S108 PolarHBondContact O-N 3.34Å; D106-S108 VanDerWaalsContact O-N 3.1Å
107F37Very low44.7Very low199 Ų199145.7 Ų145.787%0.87377%0.767SS**  trans-84.167.2166.4-74.2-71.5000111.3
108S35.8Very low45.4Very low105 Ų105148.2 Ų148.273%0.73476%0.762SS**  trans-75.7128166.6-162.80000109.7D106 S110D106-S108 PolarHBondContact O-N 3.34Å; D106-S108 VanDerWaalsContact O-N 3.1Å; S108-S110 PolarHBondContact O-N 2.89Å
109F41.7Very low45.2Very low197 Ų197141.9 Ų141.986%0.86475%0.748SS**  trans-75.772.2178.7-176.3-98.6000110.8
110S44.7Very low45.5Very low95 Ų95133.9 Ų133.966%0.66473%0.731SS**  trans-81.5124161.2-68.40000108.3S108 S112S108-S110 PolarHBondContact O-N 2.89Å; S110-S112 PolarHBondContact O-N 3.17Å
111S53Low45.7Very low116 Ų116128.9 Ų128.981%0.81172%0.718SS**  trans-70.670.1-174.451.70000112.8
112S53.9Low46.2Very low97 Ų97129.1 Ų129.168%0.67872%0.719SS**  trans-105.1153.4179.7-144.80000112S110S110-S112 PolarHBondContact O-N 3.17Å
113N60Low46.2Very low123 Ų123125.2 Ų125.266%0.65871%0.71SS**  trans-68.8135.2-163.2-80.2-46.7000113.9F115 S116N113-F115 PolarHBondContact O-N 3.13Å; N113-S116 PolarHBondContact O-N 3.38Å; N113-S116 PolarHBondContact O-OG 3.11Å
114R54.5Low46.5Very low241 Ų241126.1 Ų126.191%0.90971%0.714SS**THydrogen-bonded Turntrans-654.3176.5-67.2-177.2-82.3-160.4-4.7114.9
115F46.5Very low46.6Very low153 Ų153128.2 Ų128.267%0.67172%0.716SS**THydrogen-bonded Turntrans-102.7-7.6179.8-60.1-74.5000113.5N113 A117 L118N113-F115 PolarHBondContact O-N 3.13Å; F115-A117 PolarHBondContact O-N 3.24Å; F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 WeakPolarHBondContact O-CB 3.47Å; F115-L118 PolarHBondContact O-N 3.5Å
116S54.3Low46.8Very low75 Ų75134.5 Ų134.552%0.52473%0.733SS.*Hα-helixtrans-60.7-17.8178.8-61.30000114.3N113 L118 D119N113-S116 PolarHBondContact O-N 3.38Å; N113-S116 PolarHBondContact O-OG 3.11Å; S116-L118 PolarHBondContact O-N 3.45Å; S116-D119 PolarHBondContact O-N 2.87Å
117A49.1Very low46.7Very low85 Ų85130.7 Ų130.770%0.70273%0.729SS**Hα-helixtrans-67.7-16.2172.600000113.9F115F115-A117 PolarHBondContact O-N 3.24Å
118L49.6Very low46.9Very low127 Ų127124.4 Ų124.467%0.66572%0.721SS**Hα-helixtrans-88.5-22.3175.8-62172.2000112.6F115 S116 A120 S121F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 WeakPolarHBondContact O-CB 3.47Å; F115-L118 PolarHBondContact O-N 3.5Å; S116-L118 PolarHBondContact O-N 3.45Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-S121 WeakPolarHBondContact O-CB 3.49Å; L118-S121 PolarHBondContact O-N 3.03Å; L118-S121 PolarHBondContact O-OG 3.31Å
119D48.2Very low47.1Very low124 Ų124131.6 Ų131.666%0.66373%0.732SS**Hα-helixtrans-74.1-23178.4-159.951.7000112.2S116 S121 N122S116-D119 PolarHBondContact O-N 2.87Å; D119-S121 PolarHBondContact O-N 3.26Å; D119-S121 VanDerWaalsContact O-N 3.11Å; D119-N122 PolarHBondContact O-N 3.49Å
120A44.8Very low46.6Very low62 Ų62125.8 Ų125.851%0.51273%0.727SS.*G310 helixtrans-64.7-10.4174.300000114.2L118 N122 A123L118-A120 VanDerWaalsContact C-N 3.3Å; A120-N122 PolarHBondContact O-N 2.93Å; A120-N122 VanDerWaalsContact O-N 3.13Å; A120-A123 WeakPolarHBondContact O-CB 3.34Å; A120-A123 PolarHBondContact O-N 3.47Å; A120-A123 VanDerWaalsContact O-N 3.11Å
121S47.1Very low46.7Very low93 Ų93126.3 Ų126.365%0.6574%0.737SS**G310 helixtrans-60-21177.5-50.10000113.3L118 D119L118-S121 WeakPolarHBondContact O-CB 3.49Å; L118-S121 PolarHBondContact O-N 3.03Å; L118-S121 PolarHBondContact O-OG 3.31Å; D119-S121 PolarHBondContact O-N 3.26Å; D119-S121 VanDerWaalsContact O-N 3.11Å
122N46.4Very low45.7Very low146 Ų146125.7 Ų125.778%0.78174%0.739SS**G310 helixtrans-89.21.9179.2-66.4-36.5000114.3D119 A120D119-N122 PolarHBondContact O-N 3.49Å; A120-N122 PolarHBondContact O-N 2.93Å; A120-N122 VanDerWaalsContact O-N 3.13Å
123A42.6Very low45Very low79 Ų79126.4 Ų126.465%0.65375%0.752SS**SBendtrans-103.6-10.1-169.500000115.7A120A120-A123 WeakPolarHBondContact O-CB 3.34Å; A120-A123 PolarHBondContact O-N 3.47Å; A120-A123 VanDerWaalsContact O-N 3.11Å
124F39.8Very low43.8Very low190 Ų190124.2 Ų124.283%0.83376%0.758SS**SBendtrans-89.3-25.6-171.1-162-103000115
125D44.7Very low43Very low157 Ų157123.3 Ų123.384%0.8476%0.761SS**SBendtrans-87.3-4.9-172.4-111.4-85.2000115.4G127D125-G127 PolarHBondContact O-N 3.35Å
126K49.2Very low42.8Very low212 Ų212118.2 Ų118.292%0.92275%0.752SS**  trans-80.940.6177.4-146.7167.8-171.1170.60112.5
127G38.8Very low42.5Very low68 Ų68119 Ų11970%0.70175%0.754SS**  trans-109.55.4-165.200000116.7D125D125-G127 PolarHBondContact O-N 3.35Å
128G40.2Very low42.8Very low68 Ų68118.4 Ų118.470%0.70175%0.748SS**  trans90.3129.6156.100000118.9
129R39.3Very low43.2Very low255 Ų255114.3 Ų114.396%0.96274%0.737SS**  trans-156.2147.4136.7-101.1155.6-162.9-147.43.6108.2
130G32.4Very low43.7Very low75 Ų75112.6 Ų112.677%0.77373%0.728SS**  trans-83.5144.8-160.500000115.9
131A45.4Very low44.8Very low106 Ų106114.9 Ų114.988%0.87673%0.728SS**  trans40102140.700000119.7
132A33.3Very low46.3Very low103 Ų103114.2 Ų114.285%0.85172%0.717SS**  trans-155.6123134.100000111.6
133A39.7Very low47.8Very low113 Ų113107.8 Ų107.893%0.93468%0.683SS**  trans11114.3162.800000120.7
134G34.4Very low49.6Very low77 Ų77108.5 Ų108.579%0.79468%0.676SS**  trans-175.9116.1159.700000110.7G136G134-G136 PolarHBondContact O-N 2.88Å; G134-G136 VanDerWaalsContact O-N 3.14Å
135F37.1Very low51.7Low221 Ų221104.6 Ų104.697%0.96966%0.658SS**  trans-8386.6176.7-178.5-94000109
136G43.4Very low53.3Low47 Ų4799.9 Ų99.949%0.48563%0.631SS.*  trans-129.5131.2171.100000109.1G134G134-G136 PolarHBondContact O-N 2.88Å; G134-G136 VanDerWaalsContact O-N 3.14Å
137T47Very low54.8Low92 Ų9290 Ų9056%0.56459%0.588SS**  trans-78.8130176.435.50000109.9G139 D140T137-G139 PolarHBondContact O-N 3.11Å; T137-D140 WeakPolarHBondContact O-CB 3.48Å; T137-D140 PolarHBondContact O-N 2.82Å
138A54.4Low57Low71 Ų7193.1 Ų93.159%0.58758%0.584SS**THydrogen-bonded Turntrans-57.2-14.3-176.500000116
139G58.8Low59.1Low42 Ų4293 Ų9343%0.43357%0.57SS.*THydrogen-bonded Turntrans-79.9-25.417100000114.3T137 D142 D143T137-G139 PolarHBondContact O-N 3.11Å; G139-D142 PolarHBondContact O-N 2.94Å; G139-D143 WeakPolarHBondContact O-CB 3.25Å; G139-D143 PolarHBondContact O-N 3.14Å
140D58.4Low61.1Low88 Ų8881 Ų8147%0.47153%0.525SS..Hα-helixtrans-68.9-46.6178.6-144.340.1000109.5T137 D142 D143 D144T137-D140 WeakPolarHBondContact O-CB 3.48Å; T137-D140 PolarHBondContact O-N 2.82Å; D140-D142 PolarHBondContact O-N 3.05Å; D140-D143 PolarHBondContact O-N 2.94Å; D140-D144 PolarHBondContact O-N 2.87Å
141E68.7Low63.5Low109 Ų10980.3 Ų80.351%0.50950%0.501SS..Hα-helixtrans-59.7-31.2175.9-59.1171.7151.300113K145E141-K145 WeakPolarHBondContact O-CD 3.25Å; E141-K145 WeakPolarHBondContact O-CE 3.34Å; E141-K145 VanDerWaalsContact O-CG 3.23Å; E141-K145 WeakPolarHBondContact O-CG 3.3Å
142D78.7Confident65.4Low79 Ų7978 Ų7842%0.42248%0.482SS..Hα-helixtrans-83.3-30.7174-78.4-17.4000112.4G139 D140 K145 K146G139-D142 PolarHBondContact O-N 2.94Å; D140-D142 PolarHBondContact O-N 3.05Å; D142-K145 IonicContact OD1-NZ 3.2Å; D142-K145 PolarHBondContact OD1-NZ 3.41Å; D142-K146 WeakPolarHBondContact O-CD 3.24Å; D142-K146 WeakPolarHBondContact O-CE 3.47Å; D142-K146 WeakPolarHBondContact O-CG 3.06Å; D142-K146 PolarHBondContact O-N 3.33Å
143D77.7Confident67.7Low11 Ų1176 Ų766%0.05946%0.457CS..Hα-helixtrans-70.9-39.4175.7-75.9-27.7000112G139 D140 K146 L147 L232 K236G139-D143 WeakPolarHBondContact O-CB 3.25Å; G139-D143 PolarHBondContact O-N 3.14Å; D140-D143 PolarHBondContact O-N 2.94Å; D143-K146 WeakPolarHBondContact O-CB 3.44Å; D143-K146 PolarHBondContact O-N 3.45Å; D143-K146 IonicContact OD1-NZ 2.69Å; D143-K146 PolarHBondContact OD1-NZ 2.84Å; D143-L147 WeakPolarHBondContact O-CG 3.44Å; D143-L147 PolarHBondContact O-N 3.03Å; D143-L147 VanDerWaalsContact O-N 3.1Å; D143-L232 HydrophobicContact CB-CD1 4.06Å; D143-L232 HydrophobicContact CB-CD2 3.68Å; D143-K236 IonicContact OD1-NZ 3.99Å; D143-K236 WeakPolarHBondContact OD2-CE 3.47Å; D143-K236 IonicContact OD2-NZ 2.62Å; D143-K236 PolarHBondContact OD2-NZ 3.29Å
144D79.6Confident69.8Low94 Ų9470.6 Ų70.650%0.50341%0.413SS..Hα-helixtrans-61.7-44.6172.7-79-30.5000112D140 K146 L147 E148D140-D144 PolarHBondContact O-N 2.87Å; D144-K146 VanDerWaalsContact C-N 3.3Å; D144-K146 PolarHBondContact O-N 2.69Å; D144-L147 WeakPolarHBondContact O-CB 3.28Å; D144-L147 PolarHBondContact O-N 2.87Å; D144-L147 VanDerWaalsContact O-N 3.15Å; D144-E148 PolarHBondContact O-N 2.87Å
145K83.4Confident72.1Confident108 Ų10869.7 Ų69.747%0.4739%0.389SS..Hα-helixtrans-59.6-39174.3-70.5167.6-151.9151.50112.2E141 D142 L147 E148 V149E141-K145 WeakPolarHBondContact O-CD 3.25Å; E141-K145 WeakPolarHBondContact O-CE 3.34Å; E141-K145 VanDerWaalsContact O-CG 3.23Å; E141-K145 WeakPolarHBondContact O-CG 3.3Å; D142-K145 IonicContact OD1-NZ 3.2Å; D142-K145 PolarHBondContact OD1-NZ 3.41Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-E148 PolarHBondContact O-N 3.1Å; K145-V149 VanDerWaalsContact O-CG2 3.32Å; K145-V149 WeakPolarHBondContact O-CG2 3.44Å; K145-V149 PolarHBondContact O-N 3.43Å
146K80.1Confident74.3Confident59 Ų5961.4 Ų61.426%0.25736%0.362SS..Hα-helixtrans-63.6-41.1176.8-66.6161.8-152154.60110.9D142 D143 D144 I150 F171 L235D142-K146 WeakPolarHBondContact O-CD 3.24Å; D142-K146 WeakPolarHBondContact O-CE 3.47Å; D142-K146 WeakPolarHBondContact O-CG 3.06Å; D142-K146 PolarHBondContact O-N 3.33Å; D143-K146 WeakPolarHBondContact O-CB 3.44Å; D143-K146 PolarHBondContact O-N 3.45Å; D143-K146 IonicContact OD1-NZ 2.69Å; D143-K146 PolarHBondContact OD1-NZ 2.84Å; D144-K146 VanDerWaalsContact C-N 3.3Å; D144-K146 PolarHBondContact O-N 2.69Å; K146-I150 WeakPolarHBondContact O-CD1 3.08Å; K146-I150 VanDerWaalsContact O-CG1 3.24Å; K146-I150 WeakPolarHBondContact O-CG1 3.31Å; K146-I150 PolarHBondContact O-N 3.27Å; K146-F171 HydrophobicContact CB-CE2 3.75Å; K146-F171 HydrophobicContact CB-CZ 3.73Å; K146-F171 HydrophobicContact CD-CZ 4.42Å; K146-F171 HydrophobicContact CG-CE1 3.92Å; K146-F171 HydrophobicContact CG-CE2 3.9Å; K146-F171 HydrophobicContact CG-CZ 3.47Å; K146-F171 VanDerWaalsContact CG-CZ 3.47Å; K146-L235 HydrophobicContact CB-CD2 4.07Å; K146-L235 HydrophobicContact CD-CD2 4.13Å
147L80.4Confident76.1Confident4 Ų459.8 Ų59.82%0.02134%0.341CS..Hα-helixtrans-66.8-39.8176.4-69.8174.1000112.2D143 D144 K145 I150 Q151 M223 R228 L231 L232D143-L147 WeakPolarHBondContact O-CG 3.44Å; D143-L147 PolarHBondContact O-N 3.03Å; D143-L147 VanDerWaalsContact O-N 3.1Å; D144-L147 WeakPolarHBondContact O-CB 3.28Å; D144-L147 PolarHBondContact O-N 2.87Å; D144-L147 VanDerWaalsContact O-N 3.15Å; K145-L147 VanDerWaalsContact C-N 3.33Å; L147-I150 PolarHBondContact O-N 2.71Å; L147-Q151 PolarHBondContact O-N 3.28Å; L147-M223 HydrophobicContact CB-SD 3.86Å; L147-M223 HydrophobicContact CD2-SD 4.17Å; L147-M223 HydrophobicContact CG-SD 4.46Å; L147-R228 HydrophobicContact CD1-CB 3.97Å; L147-R228 HydrophobicContact CD1-CG 3.97Å; L147-R228 HydrophobicContact CD2-CG 4.41Å; L147-L231 HydrophobicContact CD2-CB 4.35Å; L147-L231 HydrophobicContact CD2-CD1 4.48Å; L147-L232 HydrophobicContact CD1-CD1 3.95Å; L147-L232 HydrophobicContact CD1-CD2 4.29Å; L147-L232 HydrophobicContact CD1-CG 4.08Å; L147-L232 HydrophobicContact CD2-CD2 4.35Å; L147-L232 HydrophobicContact CD2-CG 4.32Å; L147-L232 HydrophobicContact CG-CD2 4.1Å; L147-L232 HydrophobicContact CG-CG 4.31Å
148E83.9Confident77.7Confident134 Ų13459.6 Ų59.663%0.62633%0.334SS*.Hα-helixtrans-63.6-44.4175.2-172.6176.4-162.100112D144 K145 Q151 A152D144-E148 PolarHBondContact O-N 2.87Å; K145-E148 PolarHBondContact O-N 3.1Å; E148-Q151 WeakPolarHBondContact O-CB 3.48Å; E148-Q151 PolarHBondContact O-N 3.42Å; E148-A152 PolarHBondContact O-N 3.05Å
149V84.2Confident79Confident66 Ų6661 Ų6140%0.434%0.339SS..Hα-helixtrans-63-43.5174.9175.40000111.4K145 Q151 A152 D153 T170K145-V149 VanDerWaalsContact O-CG2 3.32Å; K145-V149 WeakPolarHBondContact O-CG2 3.44Å; K145-V149 PolarHBondContact O-N 3.43Å; V149-Q151 VanDerWaalsContact C-N 3.27Å; V149-Q151 PolarHBondContact O-N 3.02Å; V149-A152 PolarHBondContact O-N 3.25Å; V149-D153 WeakPolarHBondContact O-CB 3.21Å; V149-D153 PolarHBondContact O-N 3.49Å; V149-T170 HydrophobicContact CG1-CG2 3.81Å
150I82.8Confident80Confident3 Ų361.8 Ų61.82%0.01534%0.338CS..Hα-helixtrans-60-38.6175.3-71163.5000110.9K146 L147 V154 Y168 T170 F171 I175 L235K146-I150 WeakPolarHBondContact O-CD1 3.08Å; K146-I150 VanDerWaalsContact O-CG1 3.24Å; K146-I150 WeakPolarHBondContact O-CG1 3.31Å; K146-I150 PolarHBondContact O-N 3.27Å; L147-I150 PolarHBondContact O-N 2.71Å; I150-V154 HydrophobicContact CG2-CG2 4.47Å; I150-V154 WeakPolarHBondContact O-CB 3.34Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 2.72Å; I150-Y168 HydrophobicContact CG1-CE1 4.5Å; I150-T170 WeakPolarHBondContact CG1-OG1 3.41Å; I150-F171 HydrophobicContact CD1-CD2 4.48Å; I150-F171 HydrophobicContact CD1-CE2 4.11Å; I150-F171 HydrophobicContact CG1-CE2 4.3Å; I150-I175 HydrophobicContact CD1-CD1 4.1Å; I150-I175 HydrophobicContact CG1-CD1 4.31Å; I150-I175 HydrophobicContact CG2-CD1 4.16Å; I150-L235 HydrophobicContact CD1-CD1 4.29Å; I150-L235 HydrophobicContact CD1-CD2 4.15Å
151Q82.9Confident80.7Confident59 Ų5961 Ų6128%0.27635%0.35SS..Hα-helixtrans-64.8-50.2176.7-159.3174.810.900112L147 E148 V149 D153 V154 D155 K221 M223L147-Q151 PolarHBondContact O-N 3.28Å; E148-Q151 WeakPolarHBondContact O-CB 3.48Å; E148-Q151 PolarHBondContact O-N 3.42Å; V149-Q151 VanDerWaalsContact C-N 3.27Å; V149-Q151 PolarHBondContact O-N 3.02Å; Q151-D153 VanDerWaalsContact C-N 3.31Å; Q151-D153 PolarHBondContact O-N 2.7Å; Q151-V154 PolarHBondContact O-N 3.43Å; Q151-D155 PolarHBondContact O-N 3.28Å; Q151-K221 PolarHBondContact NE2-O 2.92Å; Q151-M223 HydrophobicContact CB-CE 3.48Å; Q151-M223 VanDerWaalsContact CB-CE 3.48Å; Q151-M223 HydrophobicContact CG-CE 3.58Å
152A83.7Confident81.1Confident57 Ų5761.8 Ų61.847%0.47135%0.354SS..Hα-helixtrans-60.7-40.8-179.500000111.8E148 V149 D155 A156E148-A152 PolarHBondContact O-N 3.05Å; V149-A152 PolarHBondContact O-N 3.25Å; A152-D155 PolarHBondContact O-N 3.24Å; A152-A156 VanDerWaalsContact O-CB 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 3.12Å
153D82.9Confident81.3Confident62 Ų6262.8 Ų62.833%0.33235%0.352SS..Hα-helixtrans-68.6-37.3176.1-84.11000112.5V149 Q151 A156 W157 Y168V149-D153 WeakPolarHBondContact O-CB 3.21Å; V149-D153 PolarHBondContact O-N 3.49Å; Q151-D153 VanDerWaalsContact C-N 3.31Å; Q151-D153 PolarHBondContact O-N 2.7Å; D153-A156 CarbonylContact O-C 3.6Å; D153-A156 PolarHBondContact O-N 3.47Å; D153-W157 VanDerWaalsContact O-CB 3.28Å; D153-W157 WeakPolarHBondContact O-CB 3.47Å; D153-W157 PolarHBondContact O-N 3.19Å; D153-Y168 HydrophobicContact CB-CE2 3.93Å; D153-Y168 WeakPolarHBondContact CB-OH 3.41Å; D153-Y168 PolarHBondContact OD2-OH 3.08Å
154V83.9Confident81.2Confident0 Ų062.9 Ų62.90%036%0.355CS..Hα-helixtrans-67.2-39.9175.3168.10000111.2I150 Q151 W157 E158 V217 L220 K221I150-V154 HydrophobicContact CG2-CG2 4.47Å; I150-V154 WeakPolarHBondContact O-CB 3.34Å; I150-V154 WeakPolarHBondContact O-CG2 3.4Å; I150-V154 PolarHBondContact O-N 2.72Å; Q151-V154 PolarHBondContact O-N 3.43Å; V154-W157 PolarHBondContact O-N 3.18Å; V154-E158 PolarHBondContact O-N 3.39Å; V154-V217 HydrophobicContact CG1-CG1 3.94Å; V154-L220 HydrophobicContact CG1-CB 4.2Å; V154-L220 HydrophobicContact CG2-CB 4.07Å; V154-L220 HydrophobicContact CG2-CD1 3.86Å; V154-K221 HydrophobicContact CG1-CB 4.5Å
155D83Confident81.1Confident57 Ų5759.2 Ų59.231%0.30534%0.335SS..Hα-helixtrans-66.1-37.6172.7-79.6-28.9000112.1Q151 A152 S159 K221Q151-D155 PolarHBondContact O-N 3.28Å; A152-D155 PolarHBondContact O-N 3.24Å; D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.61Å; D155-S159 VanDerWaalsContact O-N 3.08Å; D155-S159 PolarHBondContact O-OG 3.2Å; D155-K221 WeakPolarHBondContact OD1-CE 3.42Å; D155-K221 IonicContact OD1-NZ 3.82Å; D155-K221 PolarHBondContact OD1-NZ 2.73Å
156A83.2Confident80.7Confident47 Ų4755.9 Ų55.939%0.38833%0.325SS..Hα-helixtrans-67-37.2172.300000112.2A152 D153 S159 S160A152-A156 VanDerWaalsContact O-CB 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 3.12Å; D153-A156 CarbonylContact O-C 3.6Å; D153-A156 PolarHBondContact O-N 3.47Å; A156-S159 WeakPolarHBondContact CA-OG 3.28Å; A156-S159 PolarHBondContact O-OG 2.79Å; A156-S160 WeakPolarHBondContact O-CB 3.16Å; A156-S160 PolarHBondContact O-N 2.7Å; A156-S160 PolarHBondContact O-OG 2.81Å
157W80.7Confident80.1Confident13 Ų1356.3 Ų56.35%0.04934%0.335CS..Hα-helixtrans-68.1-43.4178.7-168.36.3000111.4D153 V154 S160 W163 G164 S166 Y168 F178 W213D153-W157 VanDerWaalsContact O-CB 3.28Å; D153-W157 WeakPolarHBondContact O-CB 3.47Å; D153-W157 PolarHBondContact O-N 3.19Å; V154-W157 PolarHBondContact O-N 3.18Å; W157-S160 PolarHBondContact O-OG 2.97Å; W157-W163 PolarHBondContact NE1-O 3.15Å; W157-G164 VanDerWaalsContact CZ2-O 3.27Å; W157-G164 WeakPolarHBondContact CZ2-O 3.28Å; W157-S166 VanDerWaalsContact CH2-O 3.27Å; W157-S166 WeakPolarHBondContact CH2-O 3.24Å; W157-S166 VanDerWaalsContact CZ2-OG 3.27Å; W157-S166 WeakPolarHBondContact CZ2-OG 3.28Å; W157-Y168 HydrophobicContact CE3-CG 4.39Å; W157-Y168 VanDerWaalsContact CZ3-CB 3.47Å; W157-Y168 HydrophobicContact CZ3-CG 4.06Å; W157-F178 HydrophobicContact CE3-CE1 4.47Å; W157-F178 HydrophobicContact CE3-CZ 4.5Å; W157-F178 AromaticContact CH2-CD1 3.54Å; W157-F178 HydrophobicContact CH2-CD1 3.54Å; W157-F178 AromaticContact CH2-CE1 3.54Å; W157-F178 HydrophobicContact CH2-CE1 3.54Å; W157-F178 HydrophobicContact CH2-CG 4.09Å; W157-F178 HydrophobicContact CH2-CZ 4.07Å; W157-F178 AromaticContact CZ3-CD1 3.9Å; W157-F178 HydrophobicContact CZ3-CD1 3.9Å; W157-F178 AromaticContact CZ3-CE1 3.43Å; W157-F178 HydrophobicContact CZ3-CE1 3.43Å; W157-F178 VanDerWaalsContact CZ3-CE1 3.43Å; W157-F178 HydrophobicContact CZ3-CE2 4.09Å; W157-F178 HydrophobicContact CZ3-CG 4.41Å; W157-F178 AromaticContact CZ3-CZ 3.53Å; W157-F178 HydrophobicContact CZ3-CZ 3.53Å; W157-W213 AromaticContact CH2-NE1 3.99Å; W157-W213 AromaticContact CZ2-NE1 3.79Å
158E81Confident79.5Confident89 Ų8957.8 Ų57.842%0.41634%0.34SS..Hα-helixtrans-63.4-44.9174-174.7178-151.700111.9V154 V217 K221V154-E158 PolarHBondContact O-N 3.39Å; E158-V217 HydrophobicContact CB-CG1 4.38Å; E158-K221 IonicContact OE2-NZ 2.94Å; E158-K221 PolarHBondContact OE2-NZ 3.1Å
159S81.8Confident78.6Confident100 Ų10054.2 Ų54.270%0.69933%0.331SS*.Hα-helixtrans-80.2-24.3-174.358.20000115D155 A156 G161D155-S159 WeakPolarHBondContact O-CB 3.32Å; D155-S159 PolarHBondContact O-N 2.61Å; D155-S159 VanDerWaalsContact O-N 3.08Å; D155-S159 PolarHBondContact O-OG 3.2Å; A156-S159 WeakPolarHBondContact CA-OG 3.28Å; A156-S159 PolarHBondContact O-OG 2.79Å; S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 3.23Å
160S78.1Confident77.3Confident59 Ų5953.2 Ų53.241%0.41332%0.324SS..THydrogen-bonded Turntrans-78.2-12.1-178.358.50000114.6A156 W157 Q162A156-S160 WeakPolarHBondContact O-CB 3.16Å; A156-S160 PolarHBondContact O-N 2.7Å; A156-S160 PolarHBondContact O-OG 2.81Å; W157-S160 PolarHBondContact O-OG 2.97Å; S160-Q162 PolarHBondContact O-N 3.45Å; S160-Q162 VanDerWaalsContact OG-CG 3.24Å; S160-Q162 WeakPolarHBondContact OG-CG 3.49Å; S160-Q162 PolarHBondContact OG-NE2 3.05Å
161G73.1Confident76.4Confident70 Ų7056.8 Ų56.872%0.72234%0.34SS*.THydrogen-bonded Turntrans64.119.2-173.800000113.5S159S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 3.23Å
162Q78.9Confident75.1Confident127 Ų12764.2 Ų64.259%0.59337%0.371SS*.  trans-62.5161.8172.4-76.4173.425.300111.1S160 G164S160-Q162 PolarHBondContact O-N 3.45Å; S160-Q162 VanDerWaalsContact OG-CG 3.24Å; S160-Q162 WeakPolarHBondContact OG-CG 3.49Å; S160-Q162 PolarHBondContact OG-NE2 3.05Å; Q162-G164 PolarHBondContact O-N 3.38Å
163W82.9Confident74Confident100 Ų10062.8 Ų62.838%0.37936%0.357SS..  trans-63.8124-179.2-176.9-108.3000111.1W157 F165 S166 L181 P183 L186W157-W163 PolarHBondContact NE1-O 3.15Å; W163-F165 AromaticContact CE2-CD2 3.97Å; W163-F165 HydrophobicContact CH2-CD2 4.08Å; W163-F165 HydrophobicContact CZ2-CB 4.35Å; W163-F165 AromaticContact CZ2-CD2 3.59Å; W163-F165 HydrophobicContact CZ2-CD2 3.59Å; W163-F165 HydrophobicContact CZ2-CE2 4.42Å; W163-F165 HydrophobicContact CZ2-CG 4.44Å; W163-F165 PolarHBondContact NE1-O 2.78Å; W163-S166 PolarHBondContact O-OG 3.27Å; W163-L181 PolarHBondContact NE1-O 2.91Å; W163-P183 HydrophobicContact CD2-CG 3.76Å; W163-P183 HydrophobicContact CE3-CG 4.08Å; W163-P183 HydrophobicContact CG-CG 4.18Å; W163-P183 HydrophobicContact CH2-CB 4.15Å; W163-P183 HydrophobicContact CH2-CG 4.25Å; W163-P183 HydrophobicContact CZ2-CB 4.14Å; W163-P183 HydrophobicContact CZ2-CG 3.94Å; W163-P183 HydrophobicContact CZ3-CB 4.41Å; W163-P183 HydrophobicContact CZ3-CG 4.32Å; W163-L186 HydrophobicContact CH2-CD2 4.42Å
164G74.6Confident73Confident12 Ų1262.8 Ų62.812%0.12436%0.36CS..SBendtrans-77.1-30.9-174.900000114.3W157 Q162 S166 W213W157-G164 VanDerWaalsContact CZ2-O 3.27Å; W157-G164 WeakPolarHBondContact CZ2-O 3.28Å; Q162-G164 PolarHBondContact O-N 3.38Å; G164-S166 PolarHBondContact O-N 2.9Å; G164-W213 VanDerWaalsContact CA-CE2 3.48Å; G164-W213 PolarHBondContact O-NE1 3.31Å
165F76.6Confident72.1Confident17 Ų1763.2 Ų63.28%0.07536%0.362CS..SBendtrans-86.353.5-179.5-47-51.6000111.5W163 T179 L181 L186 L209 L210 W213W163-F165 AromaticContact CE2-CD2 3.97Å; W163-F165 HydrophobicContact CH2-CD2 4.08Å; W163-F165 HydrophobicContact CZ2-CB 4.35Å; W163-F165 AromaticContact CZ2-CD2 3.59Å; W163-F165 HydrophobicContact CZ2-CD2 3.59Å; W163-F165 HydrophobicContact CZ2-CE2 4.42Å; W163-F165 HydrophobicContact CZ2-CG 4.44Å; W163-F165 PolarHBondContact NE1-O 2.78Å; F165-T179 CarbonylContact C-O 3.38Å; F165-T179 WeakPolarHBondContact CA-O 3.4Å; F165-L181 HydrophobicContact CB-CB 3.71Å; F165-L181 HydrophobicContact CB-CD1 4.29Å; F165-L181 HydrophobicContact CB-CG 4.07Å; F165-L181 HydrophobicContact CD2-CD1 4.36Å; F165-L181 HydrophobicContact CG-CB 4.41Å; F165-L181 HydrophobicContact CG-CD1 4.22Å; F165-L181 CarbonylContact O-C 3.47Å; F165-L181 PolarHBondContact O-N 3.07Å; F165-L186 HydrophobicContact CD2-CD1 3.94Å; F165-L186 HydrophobicContact CE2-CD1 3.87Å; F165-L209 HydrophobicContact CE1-CB 3.83Å; F165-L209 HydrophobicContact CZ-CB 3.94Å; F165-L210 HydrophobicContact CZ-CB 4.05Å; F165-L210 HydrophobicContact CZ-CG 4.22Å; F165-W213 HydrophobicContact CD1-CB 4.35Å; F165-W213 HydrophobicContact CE1-CB 4.08Å
166S74.9Confident71.2Confident38 Ų3861.8 Ų61.827%0.26636%0.357SS..SBendtrans-119.2146.6171.654.10000110.7W157 W163 G164 D180W157-S166 VanDerWaalsContact CH2-O 3.27Å; W157-S166 WeakPolarHBondContact CH2-O 3.24Å; W157-S166 VanDerWaalsContact CZ2-OG 3.27Å; W157-S166 WeakPolarHBondContact CZ2-OG 3.28Å; W163-S166 PolarHBondContact O-OG 3.27Å; G164-S166 PolarHBondContact O-N 2.9Å; S166-D180 WeakPolarHBondContact CA-OD1 3.42Å
167C67.6Low70.2Confident69 Ų6961.3 Ų61.347%0.46636%0.356SS..  trans-68.8132.4169.460.20000111.3D180C167-D180 HydrophobicContact CB-CB 4.07Å; C167-D180 PolarHBondContact N-OD1 3.37Å; C167-D180 PolarHBondContact SG-OD2 2.94Å
168Y69.1Low69.7Low34 Ų3461.1 Ų61.113%0.13336%0.356CS..  trans-108.6136.8177.8173.4-99.6000111.6I150 D153 W157 T170 I175I150-Y168 HydrophobicContact CG1-CE1 4.5Å; D153-Y168 HydrophobicContact CB-CE2 3.93Å; D153-Y168 WeakPolarHBondContact CB-OH 3.41Å; D153-Y168 PolarHBondContact OD2-OH 3.08Å; W157-Y168 HydrophobicContact CE3-CG 4.39Å; W157-Y168 VanDerWaalsContact CZ3-CB 3.47Å; W157-Y168 HydrophobicContact CZ3-CG 4.06Å; Y168-T170 VanDerWaalsContact CE1-OG1 3.3Å; Y168-T170 WeakPolarHBondContact CE1-OG1 3.2Å; Y168-T170 WeakPolarHBondContact OH-CG2 3.41Å; Y168-T170 PolarHBondContact OH-OG1 3.19Å; Y168-I175 HydrophobicContact CD1-CD1 3.77Å; Y168-I175 HydrophobicContact CD1-CG1 4.27Å; Y168-I175 HydrophobicContact CE1-CD1 3.78Å; Y168-I175 PolarHBondContact O-N 3.34Å
169S65Low69.3Low60 Ų6059.2 Ų59.242%0.4235%0.35SS..  trans-155102.7-176.2-166.40000110.8F171 T173 P174S169-F171 PolarHBondContact OG-O 3.28Å; S169-T173 VanDerWaalsContact OG-C 3.29Å; S169-T173 PolarHBondContact OG-O 3Å; S169-T173 VanDerWaalsContact OG-O 3.1Å; S169-P174 WeakPolarHBondContact OG-CA 3.41Å
170T56.7Low69.1Low44 Ų4458.2 Ų58.227%0.2734%0.337SS..SBendtrans-79.5-24.2171.6-10.10000112.5V149 I150 Y168V149-T170 HydrophobicContact CG1-CG2 3.81Å; I150-T170 WeakPolarHBondContact CG1-OG1 3.41Å; Y168-T170 VanDerWaalsContact CE1-OG1 3.3Å; Y168-T170 WeakPolarHBondContact CE1-OG1 3.2Å; Y168-T170 WeakPolarHBondContact OH-CG2 3.41Å; Y168-T170 PolarHBondContact OH-OG1 3.19Å
171F63.4Low69Low79 Ų7955.4 Ų55.435%0.34632%0.317SS..SBendtrans-125.4-168.8-172.7-59.9-69.9000111.3K146 I150 S169 T173 L235K146-F171 HydrophobicContact CB-CE2 3.75Å; K146-F171 HydrophobicContact CB-CZ 3.73Å; K146-F171 HydrophobicContact CD-CZ 4.42Å; K146-F171 HydrophobicContact CG-CE1 3.92Å; K146-F171 HydrophobicContact CG-CE2 3.9Å; K146-F171 HydrophobicContact CG-CZ 3.47Å; K146-F171 VanDerWaalsContact CG-CZ 3.47Å; I150-F171 HydrophobicContact CD1-CD2 4.48Å; I150-F171 HydrophobicContact CD1-CE2 4.11Å; I150-F171 HydrophobicContact CG1-CE2 4.3Å; S169-F171 PolarHBondContact OG-O 3.28Å; F171-T173 PolarHBondContact O-N 3.09Å; F171-T173 VanDerWaalsContact O-N 3.11Å; F171-L235 HydrophobicContact CB-CG 4.43Å; F171-L235 HydrophobicContact CD2-CD1 4.34Å; F171-L235 HydrophobicContact CD2-CD2 3.5Å; F171-L235 HydrophobicContact CD2-CG 3.88Å; F171-L235 HydrophobicContact CE2-CD2 3.86Å; F171-L235 HydrophobicContact CG-CD2 4.26Å; F171-L235 HydrophobicContact CG-CG 4.4Å
172K56.8Low69.2Low214 Ų21454.2 Ų54.293%0.9330%0.298SS*.SBendtrans-68.3-7.6-174-129.1179.5-174.370.60114.6
173T59.3Low69.1Low28 Ų2851.4 Ų51.417%0.17229%0.291CS..SBendtrans-125.6132.5178.8490000109.8S169 F171S169-T173 VanDerWaalsContact OG-C 3.29Å; S169-T173 PolarHBondContact OG-O 3Å; S169-T173 VanDerWaalsContact OG-O 3.1Å; F171-T173 PolarHBondContact O-N 3.09Å; F171-T173 VanDerWaalsContact O-N 3.11Å
174P62.4Low68.6Low62 Ų6251.9 Ų51.940%0.40330%0.297SS..PPolyproline II helixtrans-68.614717230.8-34.9000110.5S169 S176S169-P174 WeakPolarHBondContact OG-CA 3.41Å; P174-S176 PolarHBondContact O-N 2.98Å
175I65.2Low69Low8 Ų855 Ų554%0.04131%0.309CS..PPolyproline II helixtrans-77.8121.2177.5-57.4-170000109.1I150 Y168 F178 L231I150-I175 HydrophobicContact CD1-CD1 4.1Å; I150-I175 HydrophobicContact CG1-CD1 4.31Å; I150-I175 HydrophobicContact CG2-CD1 4.16Å; Y168-I175 HydrophobicContact CD1-CD1 3.77Å; Y168-I175 HydrophobicContact CD1-CG1 4.27Å; Y168-I175 HydrophobicContact CE1-CD1 3.78Å; Y168-I175 PolarHBondContact O-N 3.34Å; I175-F178 HydrophobicContact CB-CE2 4.46Å; I175-F178 HydrophobicContact CG2-CE2 4.26Å; I175-L231 HydrophobicContact CD1-CD2 4.46Å; I175-L231 HydrophobicContact CG2-CD2 3.73Å
176S62.8Low69.3Low28 Ų2855.1 Ų55.120%0.19631%0.31CS..THydrogen-bonded Turntrans-63.4143.6-176.2172.30000113.3P174 R216 E234P174-S176 PolarHBondContact O-N 2.98Å; S176-R216 PolarHBondContact O-NH1 2.84Å; S176-E234 WeakPolarHBondContact CA-OE1 3.48Å; S176-E234 WeakPolarHBondContact CB-OE1 3.47Å; S176-E234 PolarHBondContact N-OE1 3.19Å
177G62.9Low69.9Low36 Ų3658.8 Ų58.837%0.37132%0.318SS..THydrogen-bonded Turntrans90.79.3170.400000116
178F70.6Confident70.6Confident10 Ų1061.2 Ų61.24%0.04433%0.326CS..  trans-83129.7152.4-69-75.8000109.3W157 I175 W213 R216 V217 L220W157-F178 HydrophobicContact CE3-CE1 4.47Å; W157-F178 HydrophobicContact CE3-CZ 4.5Å; W157-F178 AromaticContact CH2-CD1 3.54Å; W157-F178 HydrophobicContact CH2-CD1 3.54Å; W157-F178 AromaticContact CH2-CE1 3.54Å; W157-F178 HydrophobicContact CH2-CE1 3.54Å; W157-F178 HydrophobicContact CH2-CG 4.09Å; W157-F178 HydrophobicContact CH2-CZ 4.07Å; W157-F178 AromaticContact CZ3-CD1 3.9Å; W157-F178 HydrophobicContact CZ3-CD1 3.9Å; W157-F178 AromaticContact CZ3-CE1 3.43Å; W157-F178 HydrophobicContact CZ3-CE1 3.43Å; W157-F178 VanDerWaalsContact CZ3-CE1 3.43Å; W157-F178 HydrophobicContact CZ3-CE2 4.09Å; W157-F178 HydrophobicContact CZ3-CG 4.41Å; W157-F178 AromaticContact CZ3-CZ 3.53Å; W157-F178 HydrophobicContact CZ3-CZ 3.53Å; I175-F178 HydrophobicContact CB-CE2 4.46Å; I175-F178 HydrophobicContact CG2-CE2 4.26Å; F178-W213 AromaticContact CD1-CD1 3.9Å; F178-W213 AromaticContact CE1-CD1 3.91Å; F178-R216 HydrophobicContact CE1-CB 4.39Å; F178-V217 HydrophobicContact CE1-CG2 4.34Å; F178-L220 HydrophobicContact CE2-CD1 3.74Å; F178-L220 HydrophobicContact CZ-CD1 3.54Å
179T71.8Confident71.1Confident48 Ų4862.5 Ų62.529%0.29433%0.333SS..  trans-86.1116.3170.2-50.10000108.2F165 L181 L209F165-T179 CarbonylContact C-O 3.38Å; F165-T179 WeakPolarHBondContact CA-O 3.4Å; T179-L181 HydrophobicContact CG2-CD1 4.3Å; T179-L181 HydrophobicContact CG2-CD2 3.6Å; T179-L181 HydrophobicContact CG2-CG 3.75Å; T179-L181 PolarHBondContact O-N 3.4Å; T179-L209 HydrophobicContact CG2-CD2 4.09Å
180D78.8Confident72Confident79 Ų7963.8 Ų63.842%0.42233%0.33SS..  trans-80.3104.2175.6-157.624.6000108.8S166 C167S166-D180 WeakPolarHBondContact CA-OD1 3.42Å; C167-D180 HydrophobicContact CB-CB 4.07Å; C167-D180 PolarHBondContact N-OD1 3.37Å; C167-D180 PolarHBondContact SG-OD2 2.94Å
181L74.6Confident73.4Confident0 Ų067.3 Ų67.30%034%0.339CS..  trans-127.7116.1177.2-52.2-178.8000108.2W163 F165 T179 L186 L209 F247W163-L181 PolarHBondContact NE1-O 2.91Å; F165-L181 HydrophobicContact CB-CB 3.71Å; F165-L181 HydrophobicContact CB-CD1 4.29Å; F165-L181 HydrophobicContact CB-CG 4.07Å; F165-L181 HydrophobicContact CD2-CD1 4.36Å; F165-L181 HydrophobicContact CG-CB 4.41Å; F165-L181 HydrophobicContact CG-CD1 4.22Å; F165-L181 CarbonylContact O-C 3.47Å; F165-L181 PolarHBondContact O-N 3.07Å; T179-L181 HydrophobicContact CG2-CD1 4.3Å; T179-L181 HydrophobicContact CG2-CD2 3.6Å; T179-L181 HydrophobicContact CG2-CG 3.75Å; T179-L181 PolarHBondContact O-N 3.4Å; L181-L186 HydrophobicContact CD1-CD1 4.18Å; L181-L209 HydrophobicContact CD1-CD1 3.52Å; L181-L209 HydrophobicContact CD1-CD2 3.77Å; L181-L209 HydrophobicContact CD1-CG 4.19Å; L181-F247 HydrophobicContact CD2-CB 3.12Å; L181-F247 HydrophobicContact CD2-CD1 3.72Å; L181-F247 HydrophobicContact CD2-CD2 3.91Å; L181-F247 HydrophobicContact CD2-CE1 4.39Å; L181-F247 HydrophobicContact CD2-CG 3.4Å; L181-F247 VanDerWaalsContact CD2-CG 3.4Å
182S78.3Confident74.3Confident46 Ų4666.5 Ų66.532%0.32234%0.343SS..  trans-67.4152.9173.268.70000111.6E184 E185 L186S182-E184 PolarHBondContact O-N 3.01Å; S182-E184 VanDerWaalsContact O-N 3.15Å; S182-E185 VanDerWaalsContact CB-OE2 3.24Å; S182-E185 WeakPolarHBondContact CB-OE2 3.36Å; S182-E185 PolarHBondContact N-OE2 3.47Å; S182-E185 PolarHBondContact O-N 3.39Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.28Å; S182-E185 WeakPolarHBondContact OG-CG 3.44Å; S182-E185 PolarHBondContact OG-N 3.41Å; S182-E185 PolarHBondContact OG-OE2 3.48Å; S182-L186 PolarHBondContact O-N 3.43Å
183P77.4Confident75.5Confident68 Ų6857 Ų5744%0.44230%0.304SS..Hα-helixtrans-55.2-30.7172.6-25.432.7000113.6W163 R187W163-P183 HydrophobicContact CD2-CG 3.76Å; W163-P183 HydrophobicContact CE3-CG 4.08Å; W163-P183 HydrophobicContact CG-CG 4.18Å; W163-P183 HydrophobicContact CH2-CB 4.15Å; W163-P183 HydrophobicContact CH2-CG 4.25Å; W163-P183 HydrophobicContact CZ2-CB 4.14Å; W163-P183 HydrophobicContact CZ2-CG 3.94Å; W163-P183 HydrophobicContact CZ3-CB 4.41Å; W163-P183 HydrophobicContact CZ3-CG 4.32Å; P183-R187 VanDerWaalsContact O-CB 3.31Å; P183-R187 WeakPolarHBondContact O-CB 3.42Å; P183-R187 PolarHBondContact O-N 2.88Å
184E72.4Confident76.4Confident109 Ų10964 Ų6451%0.50933%0.327SS..Hα-helixtrans-77.3-32.9179.6-72.3-61.9146.500113.1S182 R187 L188S182-E184 PolarHBondContact O-N 3.01Å; S182-E184 VanDerWaalsContact O-N 3.15Å; E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 IonicContact OE1-CZ 3.78Å; E184-R187 IonicContact OE1-NE 2.65Å; E184-R187 PolarHBondContact OE1-NE 3.15Å; E184-R187 IonicContact OE1-NH2 3.79Å; E184-R187 IonicContact OE2-CZ 2.82Å; E184-R187 IonicContact OE2-NE 2.87Å; E184-R187 PolarHBondContact OE2-NE 3.31Å; E184-R187 IonicContact OE2-NH2 2.63Å; E184-R187 PolarHBondContact OE2-NH2 3.14Å; E184-L188 VanDerWaalsContact O-CB 3.28Å; E184-L188 WeakPolarHBondContact O-CB 3.13Å; E184-L188 PolarHBondContact O-N 2.79Å
185E82.3Confident77.2Confident77 Ų7765.3 Ų65.336%0.3634%0.343SS..Hα-helixtrans-65.8-43.6172.3-76159140.800111S182 R187 L188 E189 F247S182-E185 VanDerWaalsContact CB-OE2 3.24Å; S182-E185 WeakPolarHBondContact CB-OE2 3.36Å; S182-E185 PolarHBondContact N-OE2 3.47Å; S182-E185 PolarHBondContact O-N 3.39Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.28Å; S182-E185 WeakPolarHBondContact OG-CG 3.44Å; S182-E185 PolarHBondContact OG-N 3.41Å; S182-E185 PolarHBondContact OG-OE2 3.48Å; E185-R187 VanDerWaalsContact C-N 3.32Å; E185-R187 PolarHBondContact O-N 3.14Å; E185-L188 PolarHBondContact O-N 3.35Å; E185-E189 PolarHBondContact O-N 2.96Å; E185-F247 HydrophobicContact CB-CD1 4.06Å; E185-F247 HydrophobicContact CB-CE1 3.93Å
186L83.3Confident77.7Confident21 Ų2169 Ų6911%0.1137%0.37CS..Hα-helixtrans-62.7-40175.1-154.5124.7000111W163 F165 L181 S182 Y190 Y202 V206W163-L186 HydrophobicContact CH2-CD2 4.42Å; F165-L186 HydrophobicContact CD2-CD1 3.94Å; F165-L186 HydrophobicContact CE2-CD1 3.87Å; L181-L186 HydrophobicContact CD1-CD1 4.18Å; S182-L186 PolarHBondContact O-N 3.43Å; L186-Y190 PolarHBondContact O-N 2.94Å; L186-Y190 VanDerWaalsContact O-N 3.09Å; L186-Y202 WeakPolarHBondContact CD2-OH 3.33Å; L186-Y202 WeakPolarHBondContact O-CE2 3.39Å; L186-Y202 PolarHBondContact O-OH 3.19Å; L186-V206 HydrophobicContact CD1-CG2 4.2Å; L186-V206 HydrophobicContact CD2-CG1 4.41Å; L186-V206 HydrophobicContact CD2-CG2 4.18Å; L186-V206 HydrophobicContact CG-CG2 4.2Å
187R86.3Confident78.5Confident114 Ų11470.8 Ų70.843%0.4339%0.393SS..Hα-helixtrans-68.1-34.2174.6-163.3-179.670.5103.5-1.6112.9P183 E184 E185 Y190 Y191P183-R187 VanDerWaalsContact O-CB 3.31Å; P183-R187 WeakPolarHBondContact O-CB 3.42Å; P183-R187 PolarHBondContact O-N 2.88Å; E184-R187 PolarHBondContact O-N 2.92Å; E184-R187 IonicContact OE1-CZ 3.78Å; E184-R187 IonicContact OE1-NE 2.65Å; E184-R187 PolarHBondContact OE1-NE 3.15Å; E184-R187 IonicContact OE1-NH2 3.79Å; E184-R187 IonicContact OE2-CZ 2.82Å; E184-R187 IonicContact OE2-NE 2.87Å; E184-R187 PolarHBondContact OE2-NE 3.31Å; E184-R187 IonicContact OE2-NH2 2.63Å; E184-R187 PolarHBondContact OE2-NH2 3.14Å; E185-R187 VanDerWaalsContact C-N 3.32Å; E185-R187 PolarHBondContact O-N 3.14Å; R187-Y190 WeakPolarHBondContact O-CB 3.27Å; R187-Y190 PolarHBondContact O-N 2.68Å; R187-Y191 HydrophobicContact CG-CD2 4.42Å; R187-Y191 HydrophobicContact CG-CE2 3.75Å; R187-Y191 PolarHBondContact NH1-OH 3.39Å; R187-Y191 VanDerWaalsContact NH1-OH 3.1Å; R187-Y191 WeakPolarHBondContact O-CD2 3.18Å; R187-Y191 PolarHBondContact O-N 2.63Å
188L82.6Confident79.3Confident121 Ų12173.4 Ų73.463%0.63440%0.398SS*.Hα-helixtrans-69.9-41.5176.8-175.8138.3000111.4E184 E185 Y191 S192E184-L188 VanDerWaalsContact O-CB 3.28Å; E184-L188 WeakPolarHBondContact O-CB 3.13Å; E184-L188 PolarHBondContact O-N 2.79Å; E185-L188 PolarHBondContact O-N 3.35Å; L188-Y191 PolarHBondContact O-N 3.1Å; L188-S192 PolarHBondContact O-N 3.4Å
189E80.8Confident79.9Confident60 Ų6076 Ų7628%0.2841%0.412SS..Hα-helixtrans-60.5-42.4170.2-87.8-148161.800112.3E185 Y191 S192 S193 Y202 F247E185-E189 PolarHBondContact O-N 2.96Å; E189-Y191 VanDerWaalsContact C-N 3.26Å; E189-Y191 PolarHBondContact O-N 3.27Å; E189-S192 WeakPolarHBondContact CA-OG 3.27Å; E189-S192 PolarHBondContact O-N 3.08Å; E189-S192 VanDerWaalsContact O-N 3.07Å; E189-S192 PolarHBondContact O-OG 3.17Å; E189-S193 WeakPolarHBondContact O-CB 3.27Å; E189-S193 PolarHBondContact O-N 2.64Å; E189-S193 PolarHBondContact O-OG 3.48Å; E189-Y202 HydrophobicContact CB-CD2 3.86Å; E189-Y202 HydrophobicContact CB-CE2 3.73Å; E189-F247 HydrophobicContact CB-CZ 4.22Å; E189-F247 VanDerWaalsContact CD-CE2 3.43Å; E189-F247 HydrophobicContact CG-CE1 3.93Å; E189-F247 HydrophobicContact CG-CE2 4.3Å; E189-F247 HydrophobicContact CG-CZ 3.48Å; E189-F247 VanDerWaalsContact CG-CZ 3.48Å; E189-F247 WeakPolarHBondContact OE1-CE2 3.39Å; E189-F247 WeakPolarHBondContact OE1-CZ 3.19Å; E189-F247 WeakPolarHBondContact OE2-CE2 3.28Å; E189-F247 WeakPolarHBondContact OE2-CZ 3.43Å
190Y84.4Confident80.4Confident88 Ų8879.6 Ų79.635%0.34543%0.425SS..Hα-helixtrans-53.8-43.8175.2174.1-95.5000112.5L186 R187 R194 L199 Y202L186-Y190 PolarHBondContact O-N 2.94Å; L186-Y190 VanDerWaalsContact O-N 3.09Å; R187-Y190 WeakPolarHBondContact O-CB 3.27Å; R187-Y190 PolarHBondContact O-N 2.68Å; Y190-R194 WeakPolarHBondContact O-CB 3.41Å; Y190-R194 PolarHBondContact O-N 2.99Å; Y190-L199 HydrophobicContact CD2-CD1 4.18Å; Y190-L199 HydrophobicContact CE2-CD1 3.71Å; Y190-Y202 HydrophobicContact CD2-CD1 4.17Å; Y190-Y202 AromaticContact CD2-CE1 3.74Å; Y190-Y202 HydrophobicContact CD2-CE1 3.74Å; Y190-Y202 HydrophobicContact CG-CE1 4.34Å
191Y85.4Confident80.7Confident117 Ų11777 Ų7746%0.45942%0.417SS..Hα-helixtrans-70.4-35.4177.4-66.3-58.9000113R187 L188 E189 A195R187-Y191 HydrophobicContact CG-CD2 4.42Å; R187-Y191 HydrophobicContact CG-CE2 3.75Å; R187-Y191 PolarHBondContact NH1-OH 3.39Å; R187-Y191 VanDerWaalsContact NH1-OH 3.1Å; R187-Y191 WeakPolarHBondContact O-CD2 3.18Å; R187-Y191 PolarHBondContact O-N 2.63Å; L188-Y191 PolarHBondContact O-N 3.1Å; E189-Y191 VanDerWaalsContact C-N 3.26Å; E189-Y191 PolarHBondContact O-N 3.27Å; Y191-A195 WeakPolarHBondContact O-CB 3.43Å; Y191-A195 PolarHBondContact O-N 3.02Å
192S82.1Confident81.1Confident62 Ų6278.1 Ų78.143%0.43442%0.421SS..Hα-helixtrans-68.4-43.917775.60000111.4L188 E189 A195 S196L188-S192 PolarHBondContact O-N 3.4Å; E189-S192 WeakPolarHBondContact CA-OG 3.27Å; E189-S192 PolarHBondContact O-N 3.08Å; E189-S192 VanDerWaalsContact O-N 3.07Å; E189-S192 PolarHBondContact O-OG 3.17Å; S192-A195 WeakPolarHBondContact O-CB 3.44Å; S192-A195 PolarHBondContact O-N 3.34Å; S192-A195 VanDerWaalsContact O-N 3.12Å; S192-S196 PolarHBondContact O-N 3.24Å; S192-S196 PolarHBondContact O-OG 2.87Å
193S81.2Confident81.6Confident16 Ų1679.2 Ų79.211%0.11242%0.423CS..Hα-helixtrans-66.2-34.8174.5-70.90000113.1E189 A195 S196 G197 D198E189-S193 WeakPolarHBondContact O-CB 3.27Å; E189-S193 PolarHBondContact O-N 2.64Å; E189-S193 PolarHBondContact O-OG 3.48Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 2.85Å; S193-S196 WeakPolarHBondContact CA-OG 3.47Å; S193-S196 PolarHBondContact O-N 2.94Å; S193-S196 PolarHBondContact O-OG 3.41Å; S193-G197 CarbonylContact O-C 3.56Å; S193-G197 PolarHBondContact O-N 3.37Å; S193-D198 WeakPolarHBondContact CB-O 3.44Å; S193-D198 PolarHBondContact O-N 3.33Å; S193-D198 VanDerWaalsContact O-N 3.14Å
194R79.8Confident82.1Confident173 Ų17380.1 Ų80.165%0.65342%0.424SS*.Hα-helixtrans-66.8-31.4171.2-172.1176.4-173.4-112.11.7112.3Y190 L199Y190-R194 WeakPolarHBondContact O-CB 3.41Å; Y190-R194 PolarHBondContact O-N 2.99Å; R194-L199 HydrophobicContact CB-CD1 4.23Å
195A77.9Confident82.8Confident90 Ų9075.1 Ų75.174%0.74440%0.402SS*.Hα-helixtrans-79.7-31.4176.300000113.1Y191 S192 S193Y191-A195 WeakPolarHBondContact O-CB 3.43Å; Y191-A195 PolarHBondContact O-N 3.02Å; S192-A195 WeakPolarHBondContact O-CB 3.44Å; S192-A195 PolarHBondContact O-N 3.34Å; S192-A195 VanDerWaalsContact O-N 3.12Å; S193-A195 VanDerWaalsContact C-N 3.3Å; S193-A195 PolarHBondContact O-N 2.85Å
196S76.9Confident82.9Confident87 Ų8772.7 Ų72.761%0.60839%0.392SS*.Hα-helixtrans-83.5-17.8175.8680000114S192 S193 D198S192-S196 PolarHBondContact O-N 3.24Å; S192-S196 PolarHBondContact O-OG 2.87Å; S193-S196 WeakPolarHBondContact CA-OG 3.47Å; S193-S196 PolarHBondContact O-N 2.94Å; S193-S196 PolarHBondContact O-OG 3.41Å; S196-D198 VanDerWaalsContact C-N 3.34Å; S196-D198 PolarHBondContact OG-N 3Å
197G78.8Confident83.1Confident65 Ų6576.1 Ų76.167%0.6741%0.41SS*.SBendtrans88.7-6.5-175.600000114.3S193 L199S193-G197 CarbonylContact O-C 3.56Å; S193-G197 PolarHBondContact O-N 3.37Å; G197-L199 VanDerWaalsContact C-N 3.28Å; G197-L199 PolarHBondContact O-N 2.97Å; G197-L199 VanDerWaalsContact O-N 3.14Å
198D79Confident83.1Confident90 Ų9075.4 Ų75.448%0.48141%0.412SS..  trans-89.956.2178.7-168.813.7000112.6S193 S196 Q200 G201S193-D198 WeakPolarHBondContact CB-O 3.44Å; S193-D198 PolarHBondContact O-N 3.33Å; S193-D198 VanDerWaalsContact O-N 3.14Å; S196-D198 VanDerWaalsContact C-N 3.34Å; S196-D198 PolarHBondContact OG-N 3Å; D198-Q200 PolarHBondContact O-N 2.94Å; D198-G201 WeakPolarHBondContact OD1-CA 3.22Å; D198-G201 PolarHBondContact OD1-N 3.2Å
199L84.3Confident83.2Confident64 Ų6470.5 Ų70.534%0.33539%0.386SS..Hα-helixtrans-63.4-31.5174.9-159.784.6000111.7Y190 R194 G197 L203Y190-L199 HydrophobicContact CD2-CD1 4.18Å; Y190-L199 HydrophobicContact CE2-CD1 3.71Å; R194-L199 HydrophobicContact CB-CD1 4.23Å; G197-L199 VanDerWaalsContact C-N 3.28Å; G197-L199 PolarHBondContact O-N 2.97Å; G197-L199 VanDerWaalsContact O-N 3.14Å; L199-L203 WeakPolarHBondContact O-CG 3.42Å; L199-L203 PolarHBondContact O-N 3.28Å; L199-L203 VanDerWaalsContact O-N 3.08Å
200Q82.2Confident83.4Confident125 Ų12570.5 Ų70.558%0.58439%0.388SS*.Hα-helixtrans-76.1-38.3-174.2-156.169.88.200111.8D198 Y202 L203 N204D198-Q200 PolarHBondContact O-N 2.94Å; Q200-Y202 VanDerWaalsContact C-N 3.34Å; Q200-L203 PolarHBondContact O-N 3.41Å; Q200-N204 VanDerWaalsContact O-CG 3.26Å; Q200-N204 PolarHBondContact O-N 2.91Å; Q200-N204 PolarHBondContact O-ND2 2.95Å; Q200-N204 VanDerWaalsContact O-ND2 3.17Å
201G84.6Confident83.5Confident23 Ų2369.9 Ų69.924%0.23740%0.397CS..Hα-helixtrans-58.2-45.7170.900000111.9D198 N204 G205D198-G201 WeakPolarHBondContact OD1-CA 3.22Å; D198-G201 PolarHBondContact OD1-N 3.2Å; G201-N204 PolarHBondContact O-N 2.97Å; G201-G205 PolarHBondContact O-N 3.17Å
202Y84.4Confident83.4Confident24 Ų2469.4 Ų69.49%0.09440%0.399CS..Hα-helixtrans-59.3-49.4174.9169.9-95.9000112.7L186 E189 Y190 Q200 N204 G205 V206L186-Y202 WeakPolarHBondContact CD2-OH 3.33Å; L186-Y202 WeakPolarHBondContact O-CE2 3.39Å; L186-Y202 PolarHBondContact O-OH 3.19Å; E189-Y202 HydrophobicContact CB-CD2 3.86Å; E189-Y202 HydrophobicContact CB-CE2 3.73Å; Y190-Y202 HydrophobicContact CD2-CD1 4.17Å; Y190-Y202 AromaticContact CD2-CE1 3.74Å; Y190-Y202 HydrophobicContact CD2-CE1 3.74Å; Y190-Y202 HydrophobicContact CG-CE1 4.34Å; Q200-Y202 VanDerWaalsContact C-N 3.34Å; Y202-N204 VanDerWaalsContact C-N 3.27Å; Y202-N204 PolarHBondContact O-N 3.21Å; Y202-G205 PolarHBondContact O-N 3.02Å; Y202-G205 VanDerWaalsContact O-N 3.15Å; Y202-V206 HydrophobicContact CD1-CG2 4.43Å; Y202-V206 HydrophobicContact CD2-CG2 4.15Å; Y202-V206 HydrophobicContact CE1-CG2 3.99Å; Y202-V206 HydrophobicContact CE2-CG2 3.69Å; Y202-V206 HydrophobicContact CG-CG2 4.49Å; Y202-V206 WeakPolarHBondContact O-CG2 3.43Å; Y202-V206 PolarHBondContact O-N 3.46Å
203L86.9Confident83.6Confident70 Ų7068.5 Ų68.537%0.36639%0.386SS..Hα-helixtrans-59.4-38.6177.4-71.9173.6000112.2L199 Q200 N207L199-L203 WeakPolarHBondContact O-CG 3.42Å; L199-L203 PolarHBondContact O-N 3.28Å; L199-L203 VanDerWaalsContact O-N 3.08Å; Q200-L203 PolarHBondContact O-N 3.41Å; L203-N207 WeakPolarHBondContact O-CB 3.49Å; L203-N207 PolarHBondContact O-N 3.45Å; L203-N207 VanDerWaalsContact O-N 3.1Å; L203-N207 PolarHBondContact O-ND2 2.96Å
204N88.4Confident83.7Confident87 Ų8773 Ų7347%0.46540%0.403SS..Hα-helixtrans-67.6-42.2175.8-70-29.6000111.9Q200 G201 Y202 N207 Q208Q200-N204 VanDerWaalsContact O-CG 3.26Å; Q200-N204 PolarHBondContact O-N 2.91Å; Q200-N204 PolarHBondContact O-ND2 2.95Å; Q200-N204 VanDerWaalsContact O-ND2 3.17Å; G201-N204 PolarHBondContact O-N 2.97Å; Y202-N204 VanDerWaalsContact C-N 3.27Å; Y202-N204 PolarHBondContact O-N 3.21Å; N204-N207 PolarHBondContact O-N 2.89Å; N204-Q208 WeakPolarHBondContact O-CG 3.31Å; N204-Q208 PolarHBondContact O-N 3.31Å
205G86.9Confident84Confident3 Ų368.2 Ų68.23%0.03140%0.396CS..Hα-helixtrans-62.5-46.4176.900000113G201 Y202 N207 Q208 L209 F255G201-G205 PolarHBondContact O-N 3.17Å; Y202-G205 PolarHBondContact O-N 3.02Å; Y202-G205 VanDerWaalsContact O-N 3.15Å; G205-N207 VanDerWaalsContact C-N 3.34Å; G205-N207 PolarHBondContact O-N 3.43Å; G205-Q208 PolarHBondContact O-N 3.03Å; G205-L209 PolarHBondContact O-N 2.96Å; G205-F255 VanDerWaalsContact CA-CZ 3.47Å
206V85.9Confident84Confident27 Ų2767.7 Ų67.716%0.16438%0.375CS..Hα-helixtrans-61.3-40.9175.3175.40000111.4L186 Y202 Q208 L209 L210L186-V206 HydrophobicContact CD1-CG2 4.2Å; L186-V206 HydrophobicContact CD2-CG1 4.41Å; L186-V206 HydrophobicContact CD2-CG2 4.18Å; L186-V206 HydrophobicContact CG-CG2 4.2Å; Y202-V206 HydrophobicContact CD1-CG2 4.43Å; Y202-V206 HydrophobicContact CD2-CG2 4.15Å; Y202-V206 HydrophobicContact CE1-CG2 3.99Å; Y202-V206 HydrophobicContact CE2-CG2 3.69Å; Y202-V206 HydrophobicContact CG-CG2 4.49Å; Y202-V206 WeakPolarHBondContact O-CG2 3.43Å; Y202-V206 PolarHBondContact O-N 3.46Å; V206-Q208 PolarHBondContact O-N 3.37Å; V206-L209 PolarHBondContact O-N 2.92Å; V206-L210 WeakPolarHBondContact O-CB 3.43Å; V206-L210 PolarHBondContact O-N 3.42Å
207N86.3Confident84.3Confident92 Ų9263.7 Ų63.749%0.49235%0.347SS..Hα-helixtrans-65.9-35175.6-81.5-60.1000113L203 N204 G205 S211L203-N207 WeakPolarHBondContact O-CB 3.49Å; L203-N207 PolarHBondContact O-N 3.45Å; L203-N207 VanDerWaalsContact O-N 3.1Å; L203-N207 PolarHBondContact O-ND2 2.96Å; N204-N207 PolarHBondContact O-N 2.89Å; G205-N207 VanDerWaalsContact C-N 3.34Å; G205-N207 PolarHBondContact O-N 3.43Å; N207-S211 WeakPolarHBondContact O-CB 3.45Å; N207-S211 PolarHBondContact O-N 3.17Å; N207-S211 PolarHBondContact O-OG 3.34Å
208Q87.6Confident84.4Confident100 Ų10065.7 Ų65.747%0.46734%0.339SS..Hα-helixtrans-66.4-46.6173.6-73.6-178.217.500111.5N204 G205 V206 L210 S211 Q212 F255N204-Q208 WeakPolarHBondContact O-CG 3.31Å; N204-Q208 PolarHBondContact O-N 3.31Å; G205-Q208 PolarHBondContact O-N 3.03Å; V206-Q208 PolarHBondContact O-N 3.37Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.86Å; Q208-S211 WeakPolarHBondContact O-CB 3.36Å; Q208-S211 PolarHBondContact O-N 2.98Å; Q208-S211 VanDerWaalsContact O-N 3.17Å; Q208-Q212 WeakPolarHBondContact O-CG 3.22Å; Q208-Q212 PolarHBondContact O-N 3.43Å; Q208-F255 HydrophobicContact CB-CZ 4.43Å
209L83.5Confident84.5Confident18 Ų1865.3 Ų65.39%0.09433%0.334CS..Hα-helixtrans-56.1-46.8174.2-78.4157.3000111.8F165 T179 L181 G205 V206 S211 Q212 W213F165-L209 HydrophobicContact CE1-CB 3.83Å; F165-L209 HydrophobicContact CZ-CB 3.94Å; T179-L209 HydrophobicContact CG2-CD2 4.09Å; L181-L209 HydrophobicContact CD1-CD1 3.52Å; L181-L209 HydrophobicContact CD1-CD2 3.77Å; L181-L209 HydrophobicContact CD1-CG 4.19Å; G205-L209 PolarHBondContact O-N 2.96Å; V206-L209 PolarHBondContact O-N 2.92Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 3.49Å; L209-Q212 PolarHBondContact O-N 3Å; L209-W213 WeakPolarHBondContact O-CB 3.37Å; L209-W213 PolarHBondContact O-N 3.18Å
210L85.8Confident84.2Confident59 Ų5962.7 Ų62.731%0.30932%0.32SS..Hα-helixtrans-63.9-36.5178.6-145.9169.8000111.6F165 V206 Q208 K214F165-L210 HydrophobicContact CZ-CB 4.05Å; F165-L210 HydrophobicContact CZ-CG 4.22Å; V206-L210 WeakPolarHBondContact O-CB 3.43Å; V206-L210 PolarHBondContact O-N 3.42Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.86Å; L210-K214 HydrophobicContact CD2-CD 3.78Å; L210-K214 HydrophobicContact CD2-CG 4.1Å; L210-K214 WeakPolarHBondContact O-CB 3.33Å; L210-K214 WeakPolarHBondContact O-CG 3.43Å; L210-K214 PolarHBondContact O-N 2.98Å
211S85.4Confident84Confident76 Ų7660.1 Ų60.153%0.53131%0.307SS..Hα-helixtrans-70.2-40.7175.5-57.20000112.3N207 Q208 L209 K214 S215N207-S211 WeakPolarHBondContact O-CB 3.45Å; N207-S211 PolarHBondContact O-N 3.17Å; N207-S211 PolarHBondContact O-OG 3.34Å; Q208-S211 WeakPolarHBondContact O-CB 3.36Å; Q208-S211 PolarHBondContact O-N 2.98Å; Q208-S211 VanDerWaalsContact O-N 3.17Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 3.49Å; S211-K214 PolarHBondContact O-N 2.9Å; S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 3.28Å
212Q84.6Confident83.6Confident107 Ų10765.2 Ų65.250%0.533%0.328SS..Hα-helixtrans-62-47.1174.2-73.1170.4-5.900111.1Q208 L209 S215 R216Q208-Q212 WeakPolarHBondContact O-CG 3.22Å; Q208-Q212 PolarHBondContact O-N 3.43Å; L209-Q212 PolarHBondContact O-N 3Å; Q212-S215 WeakPolarHBondContact O-CB 3.48Å; Q212-S215 PolarHBondContact O-N 3.06Å; Q212-R216 PolarHBondContact O-N 3.3Å
213W84.8Confident82.7Confident42 Ų4264.2 Ų64.216%0.15932%0.324CS..Hα-helixtrans-59.1-50.5175.8175.878.1000111.9W157 G164 F165 F178 L209 S215 R216 V217W157-W213 AromaticContact CH2-NE1 3.99Å; W157-W213 AromaticContact CZ2-NE1 3.79Å; G164-W213 VanDerWaalsContact CA-CE2 3.48Å; G164-W213 PolarHBondContact O-NE1 3.31Å; F165-W213 HydrophobicContact CD1-CB 4.35Å; F165-W213 HydrophobicContact CE1-CB 4.08Å; F178-W213 AromaticContact CD1-CD1 3.9Å; F178-W213 AromaticContact CE1-CD1 3.91Å; L209-W213 WeakPolarHBondContact O-CB 3.37Å; L209-W213 PolarHBondContact O-N 3.18Å; W213-S215 VanDerWaalsContact C-N 3.31Å; W213-S215 PolarHBondContact O-N 3.21Å; W213-R216 PolarHBondContact O-N 2.72Å; W213-V217 HydrophobicContact CD2-CG2 4.05Å; W213-V217 HydrophobicContact CG-CG2 4.44Å; W213-V217 HydrophobicContact CH2-CG2 4.4Å; W213-V217 HydrophobicContact CZ2-CG2 3.76Å; W213-V217 WeakPolarHBondContact O-CG2 3.3Å; W213-V217 PolarHBondContact O-N 2.88Å
214K84.8Confident82.1Confident111 Ų11165.3 Ų65.348%0.48333%0.33SS..Hα-helixtrans-57.3-42.5176.6-80177.9174172.30112.6L210 S211 V217 Q218L210-K214 HydrophobicContact CD2-CD 3.78Å; L210-K214 HydrophobicContact CD2-CG 4.1Å; L210-K214 WeakPolarHBondContact O-CB 3.33Å; L210-K214 WeakPolarHBondContact O-CG 3.43Å; L210-K214 PolarHBondContact O-N 2.98Å; S211-K214 PolarHBondContact O-N 2.9Å; K214-V217 PolarHBondContact O-N 3.31Å; K214-Q218 WeakPolarHBondContact O-CB 3.42Å; K214-Q218 VanDerWaalsContact O-CG 3.31Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 3.13Å
215S84.3Confident81.3Confident72 Ų7265.2 Ų65.250%0.50333%0.334SS..Hα-helixtrans-60.5-46.8177-169.70000111.4S211 Q212 W213 Q218 E219S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 3.28Å; Q212-S215 WeakPolarHBondContact O-CB 3.48Å; Q212-S215 PolarHBondContact O-N 3.06Å; W213-S215 VanDerWaalsContact C-N 3.31Å; W213-S215 PolarHBondContact O-N 3.21Å; S215-Q218 PolarHBondContact O-N 3.5Å; S215-E219 WeakPolarHBondContact O-CB 3.34Å; S215-E219 PolarHBondContact O-N 3.11Å
216R79.8Confident80.7Confident80 Ų8068.8 Ų68.830%0.30236%0.359SS..Hα-helixtrans-65.9-42.2177.2-71.7-52.2-157.593.9-1.2113.1S176 F178 Q212 W213 Q218 E219 L220S176-R216 PolarHBondContact O-NH1 2.84Å; F178-R216 HydrophobicContact CE1-CB 4.39Å; Q212-R216 PolarHBondContact O-N 3.3Å; W213-R216 PolarHBondContact O-N 2.72Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; R216-Q218 PolarHBondContact O-N 2.71Å; R216-E219 VanDerWaalsContact CD-OE2 3.23Å; R216-E219 WeakPolarHBondContact CD-OE2 3.37Å; R216-E219 IonicContact NE-OE2 3.97Å; R216-E219 PolarHBondContact O-N 3.44Å; R216-L220 VanDerWaalsContact O-CG 3.3Å; R216-L220 WeakPolarHBondContact O-CG 3.23Å; R216-L220 PolarHBondContact O-N 3.11Å
217V82.1Confident80.2Confident3 Ų368.3 Ų68.32%0.01836%0.356CS..Hα-helixtrans-58.8-45.9174.5166.80000110.8V154 E158 F178 W213 K214 L220 K221V154-V217 HydrophobicContact CG1-CG1 3.94Å; E158-V217 HydrophobicContact CB-CG1 4.38Å; F178-V217 HydrophobicContact CE1-CG2 4.34Å; W213-V217 HydrophobicContact CD2-CG2 4.05Å; W213-V217 HydrophobicContact CG-CG2 4.44Å; W213-V217 HydrophobicContact CH2-CG2 4.4Å; W213-V217 HydrophobicContact CZ2-CG2 3.76Å; W213-V217 WeakPolarHBondContact O-CG2 3.3Å; W213-V217 PolarHBondContact O-N 2.88Å; K214-V217 PolarHBondContact O-N 3.31Å; V217-L220 PolarHBondContact O-N 3.32Å; V217-K221 VanDerWaalsContact O-CB 3.22Å; V217-K221 WeakPolarHBondContact O-CB 3.32Å; V217-K221 PolarHBondContact O-N 2.98Å
218Q81.6Confident79.5Confident106 Ų10668.2 Ų68.250%0.49535%0.349SS..Hα-helixtrans-66.4-38177.3-72177.7-7.900112.9K214 S215 R216 K221 I222K214-Q218 WeakPolarHBondContact O-CB 3.42Å; K214-Q218 VanDerWaalsContact O-CG 3.31Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 3.13Å; S215-Q218 PolarHBondContact O-N 3.5Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; R216-Q218 PolarHBondContact O-N 2.71Å; Q218-K221 PolarHBondContact O-N 2.84Å; Q218-I222 WeakPolarHBondContact O-CB 3.49Å; Q218-I222 VanDerWaalsContact O-CG1 3.27Å; Q218-I222 WeakPolarHBondContact O-CG1 3.42Å; Q218-I222 PolarHBondContact O-N 2.99Å
219E81.7Confident78.8Confident82 Ų8269.7 Ų69.738%0.38336%0.357SS..Hα-helixtrans-61.8-43.4175.5-177.3177.3-165.500112.3S215 R216 M223 T227S215-E219 WeakPolarHBondContact O-CB 3.34Å; S215-E219 PolarHBondContact O-N 3.11Å; R216-E219 VanDerWaalsContact CD-OE2 3.23Å; R216-E219 WeakPolarHBondContact CD-OE2 3.37Å; R216-E219 IonicContact NE-OE2 3.97Å; R216-E219 PolarHBondContact O-N 3.44Å; E219-M223 PolarHBondContact O-N 3.31Å; E219-M223 VanDerWaalsContact O-N 3.07Å; E219-T227 HydrophobicContact CG-CG2 3.78Å; E219-T227 VanDerWaalsContact OE1-CG2 3.28Å; E219-T227 WeakPolarHBondContact OE1-CG2 3.23Å
220L76.9Confident78.4Confident9 Ų971.4 Ų71.45%0.04737%0.374CS..Hα-helixtrans-69.5-37.7175.2-65.1177.5000112.2V154 F178 R216 V217 M223 L231V154-L220 HydrophobicContact CG1-CB 4.2Å; V154-L220 HydrophobicContact CG2-CB 4.07Å; V154-L220 HydrophobicContact CG2-CD1 3.86Å; F178-L220 HydrophobicContact CE2-CD1 3.74Å; F178-L220 HydrophobicContact CZ-CD1 3.54Å; R216-L220 VanDerWaalsContact O-CG 3.3Å; R216-L220 WeakPolarHBondContact O-CG 3.23Å; R216-L220 PolarHBondContact O-N 3.11Å; V217-L220 PolarHBondContact O-N 3.32Å; L220-M223 WeakPolarHBondContact O-CB 3.24Å; L220-M223 WeakPolarHBondContact O-CG 3.3Å; L220-M223 PolarHBondContact O-N 3.36Å; L220-L231 HydrophobicContact CD2-CD1 3.56Å; L220-L231 HydrophobicContact CD2-CD2 3.95Å; L220-L231 HydrophobicContact CD2-CG 4.31Å
221K77.8Confident77.8Confident72 Ų7269.1 Ų69.131%0.31336%0.362SS..Hα-helixtrans-67.8-41.5179-174.6179.7-172.3112.70113.1Q151 V154 D155 E158 V217 Q218Q151-K221 PolarHBondContact NE2-O 2.92Å; V154-K221 HydrophobicContact CG1-CB 4.5Å; D155-K221 WeakPolarHBondContact OD1-CE 3.42Å; D155-K221 IonicContact OD1-NZ 3.82Å; D155-K221 PolarHBondContact OD1-NZ 2.73Å; E158-K221 IonicContact OE2-NZ 2.94Å; E158-K221 PolarHBondContact OE2-NZ 3.1Å; V217-K221 VanDerWaalsContact O-CB 3.22Å; V217-K221 WeakPolarHBondContact O-CB 3.32Å; V217-K221 PolarHBondContact O-N 2.98Å; Q218-K221 PolarHBondContact O-N 2.84Å
222I77.3Confident77.3Confident129 Ų12966.9 Ų66.966%0.66234%0.344SS*.Hα-helixtrans-76.5-28.7178-65.8167000111.1Q218 N224Q218-I222 WeakPolarHBondContact O-CB 3.49Å; Q218-I222 VanDerWaalsContact O-CG1 3.27Å; Q218-I222 WeakPolarHBondContact O-CG1 3.42Å; Q218-I222 PolarHBondContact O-N 2.99Å; I222-N224 PolarHBondContact O-N 3.5Å
223M64.5Low76.7Confident3 Ų363.4 Ų63.42%0.01533%0.334CS..THydrogen-bonded Turntrans49.955.7171.6-125.9-159.3-5000113.5L147 Q151 E219 L220 R228L147-M223 HydrophobicContact CB-SD 3.86Å; L147-M223 HydrophobicContact CD2-SD 4.17Å; L147-M223 HydrophobicContact CG-SD 4.46Å; Q151-M223 HydrophobicContact CB-CE 3.48Å; Q151-M223 VanDerWaalsContact CB-CE 3.48Å; Q151-M223 HydrophobicContact CG-CE 3.58Å; E219-M223 PolarHBondContact O-N 3.31Å; E219-M223 VanDerWaalsContact O-N 3.07Å; L220-M223 WeakPolarHBondContact O-CB 3.24Å; L220-M223 WeakPolarHBondContact O-CG 3.3Å; L220-M223 PolarHBondContact O-N 3.36Å; M223-R228 HydrophobicContact CB-CG 4.21Å; M223-R228 HydrophobicContact CG-CG 3.63Å; M223-R228 PolarHBondContact O-NH1 2.93Å; M223-R228 HydrophobicContact SD-CG 3.64Å; M223-R228 VanDerWaalsContact SD-CZ 3.55Å; M223-R228 PolarHBondContact SD-NE 2.89Å
224N74.5Confident76.2Confident94 Ų9462.7 Ų62.750%0.50333%0.332SS..  trans-52142.2175-157.9-0.1000110.4I222 S226 T227 R228I222-N224 PolarHBondContact O-N 3.5Å; N224-S226 PolarHBondContact O-N 2.92Å; N224-T227 HydrophobicContact CB-CG2 4.22Å; N224-T227 PolarHBondContact N-OG1 3.18Å; N224-T227 PolarHBondContact O-N 3.37Å; N224-T227 PolarHBondContact O-OG1 2.98Å; N224-R228 PolarHBondContact O-N 3.11Å
225P70.8Confident75.5Confident85 Ų8558.9 Ų58.955%0.55232%0.317SS*.Hα-helixtrans-55.7-32.4-176-30.238.3000114.1M229P225-M229 WeakPolarHBondContact O-CG 3.39Å; P225-M229 PolarHBondContact O-N 3.35Å
226S74.2Confident75Confident77 Ų7761.3 Ų61.354%0.53832%0.318SS..Hα-helixtrans-64.9-37.1172.8-50.50000113.5N224 A230N224-S226 PolarHBondContact O-N 2.92Å; S226-A230 WeakPolarHBondContact O-CB 3.47Å; S226-A230 PolarHBondContact O-N 2.98Å; S226-A230 VanDerWaalsContact O-N 3.08Å
227T75.9Confident74.2Confident18 Ų1860.2 Ų60.211%0.1133%0.332CS..Hα-helixtrans-77.9-36.4178.863.30000111E219 N224 M229 A230 L231E219-T227 HydrophobicContact CG-CG2 3.78Å; E219-T227 VanDerWaalsContact OE1-CG2 3.28Å; E219-T227 WeakPolarHBondContact OE1-CG2 3.23Å; N224-T227 HydrophobicContact CB-CG2 4.22Å; N224-T227 PolarHBondContact N-OG1 3.18Å; N224-T227 PolarHBondContact O-N 3.37Å; N224-T227 PolarHBondContact O-OG1 2.98Å; T227-M229 PolarHBondContact O-N 2.97Å; T227-A230 PolarHBondContact O-N 3.02Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 VanDerWaalsContact O-CG 3.23Å; T227-L231 WeakPolarHBondContact O-CG 3.39Å; T227-L231 PolarHBondContact O-N 3.41Å
228R72.7Confident72.8Confident90 Ų9065.2 Ų65.234%0.3436%0.363SS..Hα-helixtrans-53.7-50.8167.7-73.8179.9152.9119.4-8.7111.8L147 M223 N224 A230 L231 L232L147-R228 HydrophobicContact CD1-CB 3.97Å; L147-R228 HydrophobicContact CD1-CG 3.97Å; L147-R228 HydrophobicContact CD2-CG 4.41Å; M223-R228 HydrophobicContact CB-CG 4.21Å; M223-R228 HydrophobicContact CG-CG 3.63Å; M223-R228 PolarHBondContact O-NH1 2.93Å; M223-R228 HydrophobicContact SD-CG 3.64Å; M223-R228 VanDerWaalsContact SD-CZ 3.55Å; M223-R228 PolarHBondContact SD-NE 2.89Å; N224-R228 PolarHBondContact O-N 3.11Å; R228-A230 PolarHBondContact O-N 3.48Å; R228-L231 PolarHBondContact O-N 3.07Å; R228-L232 WeakPolarHBondContact O-CG 3.48Å; R228-L232 PolarHBondContact O-N 3.29Å
229M72.3Confident71.3Confident130 Ų13061.8 Ų61.864%0.6435%0.352SS*.Hα-helixtrans-63.2-40.4177.5-71.8-171.4-63.900113P225 T227 L232 A233P225-M229 WeakPolarHBondContact O-CG 3.39Å; P225-M229 PolarHBondContact O-N 3.35Å; T227-M229 PolarHBondContact O-N 2.97Å; M229-L232 PolarHBondContact O-N 2.9Å; M229-A233 WeakPolarHBondContact O-CB 3.15Å; M229-A233 PolarHBondContact O-N 3Å
230A74.1Confident69.6Low55 Ų5563.6 Ų63.646%0.45537%0.371SS..Hα-helixtrans-65.3-44.2177.400000112.3S226 T227 R228 A233 E234S226-A230 WeakPolarHBondContact O-CB 3.47Å; S226-A230 PolarHBondContact O-N 2.98Å; S226-A230 VanDerWaalsContact O-N 3.08Å; T227-A230 PolarHBondContact O-N 3.02Å; R228-A230 PolarHBondContact O-N 3.48Å; A230-A233 WeakPolarHBondContact O-CB 3.41Å; A230-A233 PolarHBondContact O-N 3.06Å; A230-E234 WeakPolarHBondContact O-CB 3.18Å; A230-E234 PolarHBondContact O-N 3.1Å
231L74.1Confident67.9Low11 Ų1169.3 Ų69.36%0.05840%0.397CS..Hα-helixtrans-63.8-40.6176.3-70.5167000112L147 I175 L220 T227 R228 A233 E234 L235L147-L231 HydrophobicContact CD2-CB 4.35Å; L147-L231 HydrophobicContact CD2-CD1 4.48Å; I175-L231 HydrophobicContact CD1-CD2 4.46Å; I175-L231 HydrophobicContact CG2-CD2 3.73Å; L220-L231 HydrophobicContact CD2-CD1 3.56Å; L220-L231 HydrophobicContact CD2-CD2 3.95Å; L220-L231 HydrophobicContact CD2-CG 4.31Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 VanDerWaalsContact O-CG 3.23Å; T227-L231 WeakPolarHBondContact O-CG 3.39Å; T227-L231 PolarHBondContact O-N 3.41Å; R228-L231 PolarHBondContact O-N 3.07Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-E234 PolarHBondContact O-N 3.11Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.89Å
232L73.9Confident66.2Low28 Ų2870 Ų7015%0.14741%0.412CS..Hα-helixtrans-65.3-37.2174-71.6179.2000112.1D143 L147 R228 M229 E234 K236D143-L232 HydrophobicContact CB-CD1 4.06Å; D143-L232 HydrophobicContact CB-CD2 3.68Å; L147-L232 HydrophobicContact CD1-CD1 3.95Å; L147-L232 HydrophobicContact CD1-CD2 4.29Å; L147-L232 HydrophobicContact CD1-CG 4.08Å; L147-L232 HydrophobicContact CD2-CD2 4.35Å; L147-L232 HydrophobicContact CD2-CG 4.32Å; L147-L232 HydrophobicContact CG-CD2 4.1Å; L147-L232 HydrophobicContact CG-CG 4.31Å; R228-L232 WeakPolarHBondContact O-CG 3.48Å; R228-L232 PolarHBondContact O-N 3.29Å; M229-L232 PolarHBondContact O-N 2.9Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-K236 VanDerWaalsContact O-CB 3.28Å; L232-K236 WeakPolarHBondContact O-CB 2.9Å; L232-K236 WeakPolarHBondContact O-CD 3.35Å; L232-K236 WeakPolarHBondContact O-CG 3.42Å; L232-K236 PolarHBondContact O-N 2.76Å
233A73.6Confident64.3Low34 Ų3468.7 Ų68.728%0.28141%0.414SS..Hα-helixtrans-67.3-31.4173.700000112.7M229 A230 L231 G237 T238 A239M229-A233 WeakPolarHBondContact O-CB 3.15Å; M229-A233 PolarHBondContact O-N 3Å; A230-A233 WeakPolarHBondContact O-CB 3.41Å; A230-A233 PolarHBondContact O-N 3.06Å; L231-A233 VanDerWaalsContact C-N 3.34Å; A233-G237 PolarHBondContact O-N 2.87Å; A233-T238 WeakPolarHBondContact CA-OG1 3.23Å; A233-T238 PolarHBondContact O-N 2.87Å; A233-T238 PolarHBondContact O-OG1 3.21Å; A233-A239 PolarHBondContact O-N 2.93Å; A233-A239 VanDerWaalsContact O-N 3.15Å
234E72.6Confident63.2Low28 Ų2872.7 Ų72.713%0.13144%0.442CS..Hα-helixtrans-75.2-47.3175.4-171.8171.1-171.900112.3S176 A230 L231 L232 K236 G237 A239S176-E234 WeakPolarHBondContact CA-OE1 3.48Å; S176-E234 WeakPolarHBondContact CB-OE1 3.47Å; S176-E234 PolarHBondContact N-OE1 3.19Å; A230-E234 WeakPolarHBondContact O-CB 3.18Å; A230-E234 PolarHBondContact O-N 3.1Å; L231-E234 PolarHBondContact O-N 3.11Å; L232-E234 VanDerWaalsContact C-N 3.31Å; E234-K236 PolarHBondContact O-N 2.85Å; E234-G237 WeakPolarHBondContact O-CA 3.12Å; E234-G237 PolarHBondContact O-N 3.11Å; E234-A239 HydrophobicContact CB-CB 4.11Å
235L71.7Confident61.8Low30 Ų3073.4 Ų73.416%0.15746%0.455CS..Hα-helixtrans-57.7-35172.7-102.462.2000112.7K146 I150 F171 L231 G237K146-L235 HydrophobicContact CB-CD2 4.07Å; K146-L235 HydrophobicContact CD-CD2 4.13Å; I150-L235 HydrophobicContact CD1-CD1 4.29Å; I150-L235 HydrophobicContact CD1-CD2 4.15Å; F171-L235 HydrophobicContact CB-CG 4.43Å; F171-L235 HydrophobicContact CD2-CD1 4.34Å; F171-L235 HydrophobicContact CD2-CD2 3.5Å; F171-L235 HydrophobicContact CD2-CG 3.88Å; F171-L235 HydrophobicContact CE2-CD2 3.86Å; F171-L235 HydrophobicContact CG-CD2 4.26Å; F171-L235 HydrophobicContact CG-CG 4.4Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.89Å; L235-G237 PolarHBondContact O-N 2.88Å
236K72.5Confident60.5Low124 Ų12471.9 Ų71.954%0.53945%0.454SS..THydrogen-bonded Turntrans-81.20.5176.2-69.1171.7-176.9177.40113.3D143 L232 E234 T238D143-K236 IonicContact OD1-NZ 3.99Å; D143-K236 WeakPolarHBondContact OD2-CE 3.47Å; D143-K236 IonicContact OD2-NZ 2.62Å; D143-K236 PolarHBondContact OD2-NZ 3.29Å; L232-K236 VanDerWaalsContact O-CB 3.28Å; L232-K236 WeakPolarHBondContact O-CB 2.9Å; L232-K236 WeakPolarHBondContact O-CD 3.35Å; L232-K236 WeakPolarHBondContact O-CG 3.42Å; L232-K236 PolarHBondContact O-N 2.76Å; E234-K236 PolarHBondContact O-N 2.85Å; K236-T238 VanDerWaalsContact C-N 3.29Å; K236-T238 PolarHBondContact O-N 3.49Å
237G63.3Low59Low57 Ų5770.5 Ų70.559%0.58844%0.439SS*.THydrogen-bonded Turntrans71.31817700000114.9A233 E234 L235A233-G237 PolarHBondContact O-N 2.87Å; E234-G237 WeakPolarHBondContact O-CA 3.12Å; E234-G237 PolarHBondContact O-N 3.11Å; L235-G237 PolarHBondContact O-N 2.88Å
238T53.4Low57.4Low108 Ų10873.1 Ų73.166%0.66347%0.469SS*.  trans-97.2-15.1-178.250.80000114.2A233 K236A233-T238 WeakPolarHBondContact CA-OG1 3.23Å; A233-T238 PolarHBondContact O-N 2.87Å; A233-T238 PolarHBondContact O-OG1 3.21Å; K236-T238 VanDerWaalsContact C-N 3.29Å; K236-T238 PolarHBondContact O-N 3.49Å
239A49Very low55.6Low33 Ų3374.3 Ų74.327%0.27349%0.491SS..SBendtrans-79.4143.2172.200000111.1A233 E234 Q241A233-A239 PolarHBondContact O-N 2.93Å; A233-A239 VanDerWaalsContact O-N 3.15Å; E234-A239 HydrophobicContact CB-CB 4.11Å; A239-Q241 PolarHBondContact O-N 3.23Å; A239-Q241 VanDerWaalsContact O-N 3.1Å
240P46.3Very low54Low120 Ų12072.2 Ų72.278%0.77949%0.494SS*.  trans-65.1112.7170.327.4-32.6000109S242P240-S242 PolarHBondContact O-N 3.37Å
241Q41Very low51.8Low129 Ų12975.3 Ų75.360%0.60351%0.508SS*.  trans-63109.1177.4-71.5-156.5-72.200110.2A239 S243A239-Q241 PolarHBondContact O-N 3.23Å; A239-Q241 VanDerWaalsContact O-N 3.1Å; Q241-S243 PolarHBondContact O-N 3.47Å
242S42.9Very low50.3Low88 Ų8881.5 Ų81.562%0.61555%0.546SS*.  trans-67.699162.4-63.80000107.8P240 S244P240-S242 PolarHBondContact O-N 3.37Å; S242-S244 PolarHBondContact O-N 3.24Å
243S37.2Very low48.6Very low100 Ų10084.5 Ų84.570%0.69957%0.566SS**  trans-49.9123.2175.151.10000110.2Q241 S245Q241-S243 PolarHBondContact O-N 3.47Å; S243-S245 PolarHBondContact O-N 3.18Å
244S42.1Very low46.9Very low88 Ų8886 Ų8662%0.61559%0.585SS**  trans-61108.8175.854.30000109.3S242 G246S242-S244 PolarHBondContact O-N 3.24Å; S244-G246 PolarHBondContact O-N 2.9Å
245S44Very low45.2Very low109 Ų10990.2 Ų90.276%0.76260%0.603SS**  trans-64.597.3175.9-66.30000109.7S243 F247S243-S245 PolarHBondContact O-N 3.18Å; S245-F247 PolarHBondContact O-N 2.87Å
246G44.1Very low44Very low53 Ų5392 Ų9255%0.54663%0.629SS.*  trans-62.7121178.100000111.4S244 G248S244-G246 PolarHBondContact O-N 2.9Å; G246-G248 PolarHBondContact O-N 3.15Å
247F42.5Very low42.1Very low48 Ų4890.1 Ų90.121%0.21163%0.631CS.*THydrogen-bonded Turntrans-66.6117170.8175.6-91000109L181 E185 E189 S245L181-F247 HydrophobicContact CD2-CB 3.12Å; L181-F247 HydrophobicContact CD2-CD1 3.72Å; L181-F247 HydrophobicContact CD2-CD2 3.91Å; L181-F247 HydrophobicContact CD2-CE1 4.39Å; L181-F247 HydrophobicContact CD2-CG 3.4Å; L181-F247 VanDerWaalsContact CD2-CG 3.4Å; E185-F247 HydrophobicContact CB-CD1 4.06Å; E185-F247 HydrophobicContact CB-CE1 3.93Å; E189-F247 HydrophobicContact CB-CZ 4.22Å; E189-F247 VanDerWaalsContact CD-CE2 3.43Å; E189-F247 HydrophobicContact CG-CE1 3.93Å; E189-F247 HydrophobicContact CG-CE2 4.3Å; E189-F247 HydrophobicContact CG-CZ 3.48Å; E189-F247 VanDerWaalsContact CG-CZ 3.48Å; E189-F247 WeakPolarHBondContact OE1-CE2 3.39Å; E189-F247 WeakPolarHBondContact OE1-CZ 3.19Å; E189-F247 WeakPolarHBondContact OE2-CE2 3.28Å; E189-F247 WeakPolarHBondContact OE2-CZ 3.43Å; S245-F247 PolarHBondContact O-N 2.87Å
248G41.3Very low40.7Very low72 Ų7293.4 Ų93.474%0.74265%0.645SS**THydrogen-bonded Turntrans116.9-9.917800000116.2G246 A250G246-G248 PolarHBondContact O-N 3.15Å; G248-A250 PolarHBondContact O-N 3.1Å
249S36.6Very low39.6Very low115 Ų11593.8 Ų93.880%0.80465%0.647SS**SBendtrans-77.669.3174.3-175.20000113
250A36.8Very low38.9Very low86 Ų8697.2 Ų97.271%0.71167%0.669SS**SBendtrans35.28615500000118.3G248G248-A250 PolarHBondContact O-N 3.1Å
251T29.2Very low38.1Very low121 Ų12195.1 Ų95.174%0.74267%0.67SS**  -151.4140.1123.5-68.50000108.6T253T251-T253 PolarHBondContact O-N 3.01Å; T251-T253 PolarHBondContact O-OG1 3.01Å
252T41.8Very low37.7Very low141 Ų14198.7 Ų98.787%0.86568%0.684SS**  trans-65.791.1-176.150.20000112.4
253T37.7Very low37.1Very low90 Ų9098 Ų9855%0.55269%0.69SS**  trans-152.8122.7170.510.40000108T251T251-T253 PolarHBondContact O-N 3.01Å; T251-T253 PolarHBondContact O-OG1 3.01Å
254G38.5Very low37.2Very low66 Ų66100.3 Ų100.368%0.6870%0.695SS**  trans-66.3170.9-17900000113.1G256G254-G256 PolarHBondContact O-N 2.81Å; G254-G256 VanDerWaalsContact O-N 3.11Å
255F38.2Very low36.8Very low117 Ų117106.2 Ų106.251%0.51371%0.709SS.*SBendtrans-42.3112.9-179-169.5-91.7000113G205 Q208G205-F255 VanDerWaalsContact CA-CZ 3.47Å; Q208-F255 HydrophobicContact CB-CZ 4.43Å
256G44.8Very low36.1Very low68 Ų68104.7 Ų104.770%0.70171%0.711SS**  trans98.572.3176.300000115.7G254G254-G256 PolarHBondContact O-N 2.81Å; G254-G256 VanDerWaalsContact O-N 3.11Å
257S32.6Very low35.4Very low83 Ų83112.7 Ų112.758%0.5873%0.731SS**  trans-154.1106.6155.7-83.60000111.5T259S257-T259 PolarHBondContact O-N 2.72Å
258S35.3Very low34.8Very low127 Ų127113.8 Ų113.889%0.88876%0.755SS**  trans-71.790.9170-57.10000110S260S258-S260 PolarHBondContact O-N 2.86Å
259T28.9Very low34.3Very low115 Ų115115.3 Ų115.371%0.70676%0.761SS**  trans-89.493.416947.40000109.7S257 G261S257-T259 PolarHBondContact O-N 2.72Å; T259-G261 PolarHBondContact O-N 3.01Å
260S35.4Very low34.3Very low105 Ų105116.1 Ų116.173%0.73476%0.764SS**  trans-58.7124.1167.631.80000109.9S258 F262S258-S260 PolarHBondContact O-N 2.86Å; S260-F262 PolarHBondContact O-N 3.26Å
261G30Very low33.9Very low77 Ų77117 Ų11779%0.79477%0.771SS**  trans-60.8124.5-17600000112.5T259 G263T259-G261 PolarHBondContact O-N 3.01Å; G261-G263 PolarHBondContact O-N 3.47Å
262F31.2Very low34Very low204 Ų204120.2 Ų120.290%0.89578%0.778SS**  trans-69.495.8176.3-95.7-103.5000111.5S260S260-F262 PolarHBondContact O-N 3.26Å
263G31.7Very low33.5Very low73 Ų73118.9 Ų118.975%0.75377%0.774SS**  trans-89.1108.1162.200000110.8G261 K265G261-G263 PolarHBondContact O-N 3.47Å; G263-K265 PolarHBondContact O-N 3.02Å
264N38.6Very low33.3Very low149 Ų149120.4 Ų120.480%0.79779%0.788SS**  trans-56.7118.8178.6-90.62000113
265K33Very low33Very low212 Ų212123.2 Ų123.292%0.92279%0.792SS**  trans178133.7138-98.1155.8-170.9-178.70112.8G263G263-K265 PolarHBondContact O-N 3.02Å
266G29.1Very low32.7Very low77 Ų77127.9 Ų127.979%0.79481%0.813SS**  trans87.282.8141.100000120.2
267F29.4Very low32.1Very low221 Ų221127.7 Ų127.797%0.96981%0.811SS**  trans28.2113131.4-136.5-91.3000120.6
268G29.9Very low32.3Very low70 Ų70134 Ų13472%0.72283%0.828SS**  trans116.9119.8137.800000120.2
269A31.3Very low32.4Very low104 Ų104134 Ų13486%0.8683%0.825SS**  trans73.1151.5158.600000119
270P37Very low32.5Very low132 Ų132133.2 Ų133.286%0.85783%0.83SS**  trans-94.3140.8-162.736-33.4000113.7
271A29.2Very low32.6Very low104 Ų104136.9 Ų136.986%0.8684%0.841SS**  trans-129.2135.3168.500000110.2
272Q31Very low32.6Very low190 Ų190139.3 Ų139.389%0.88885%0.846SS**  trans-75.3147.1-176.3-62.9173.6-87.500111.6S274Q272-S274 PolarHBondContact O-N 2.73Å
273S31.7Very low32.6Very low112 Ų112135.6 Ų135.678%0.78385%0.845SS**  trans-68.8110.1173.454.90000111.6T275S273-T275 PolarHBondContact O-N 3Å
274S32Very low32.5Very low122 Ų122135.2 Ų135.285%0.85384%0.841SS**  trans-84.390.6173.7-60.80000111.7Q272Q272-S274 PolarHBondContact O-N 2.73Å
275T33.2Very low32.2Very low126 Ų126138.4 Ų138.477%0.77385%0.848SS**  trans-55.6145.2156.3-62.20000110S273 G277S273-T275 PolarHBondContact O-N 3Å; T275-G277 PolarHBondContact O-N 2.93Å; T275-G277 VanDerWaalsContact O-N 3.16Å
276F31.6Very low32Very low215 Ų215131.2 Ų131.294%0.94383%0.834SS**SBendtrans-54.3118.1177.6-84.6-99.3000112.2
277G32.8Very low32.1Very low64 Ų64133.8 Ų133.866%0.6684%0.84SS**  trans-163.4129.7172.500000110.2T275 P279T275-G277 PolarHBondContact O-N 2.93Å; T275-G277 VanDerWaalsContact O-N 3.16Å; G277-P279 WeakPolarHBondContact O-CD 3.5Å
278F37.1Very low32.1Very low216 Ų216129.3 Ų129.395%0.94784%0.836SS**PPolyproline II helixtrans-70124-177.7-61.7-90.4000111.2
279P37.2Very low32Very low125 Ų125131.5 Ų131.581%0.81284%0.84SS**PPolyproline II helixtrans-87.5127.5173.432.6-30.5000111.4G277G277-P279 WeakPolarHBondContact O-CD 3.5Å
280A29.7Very low31.8Very low99 Ų99133.3 Ų133.382%0.81884%0.841SS**PPolyproline II helixtrans-76157.6164.300000111.1
281L38Very low31.5Very low183 Ų183132.8 Ų132.896%0.95884%0.84SS**PPolyproline II helixtrans-59.4135179.9-108.572.9000113.1
282S29.6Very low31.5Very low128 Ų128133.3 Ų133.390%0.89584%0.838SS**  trans-152.7162.5150-162.40000111.5
283S32.3Very low32.3Very low125 Ų125129.8 Ų129.887%0.87483%0.831SS**  trans-106163.2-159.2-168.40000114.4
284G29.8Very low32.1Very low65 Ų65129.3 Ų129.367%0.6783%0.828SS**  trans123.296.1172.900000112.4
285F30.5Very low32.1Very low217 Ų217130.5 Ų130.595%0.95283%0.83SS**  72.5114.466.3-167.8-92.2000115.1
286G30.6Very low31.9Very low61 Ų61128 Ų12863%0.62983%0.829SS**  trans104.980.2150.400000117.7
287S30.6Very low31.9Very low130 Ų130128.4 Ų128.491%0.90983%0.831SS**  trans-96.2136.1156-560000110
288S29Very low31.8Very low128 Ų128128.3 Ų128.390%0.89583%0.83SS**  trans-127.9120.4174.4-64.80000110.5
289S28.5Very low31.6Very low116 Ų116123.3 Ų123.381%0.81182%0.822SS**  trans-117131.1164.446.20000110.6
290T26.6Very low31.2Very low142 Ų142124.2 Ų124.287%0.87182%0.819SS**  trans-12.2124.9168.853.90000120.1
291S31.1Very low31.3Very low120 Ų120126.2 Ų126.284%0.83982%0.815SS**  trans-163120.1137.2580000112.4
292S29.7Very low30.9Very low116 Ų116123.7 Ų123.781%0.81181%0.807SS**  trans-79.6162.4163.6-67.90000110.1
293P46.3Very low30.8Very low115 Ų115121.8 Ų121.875%0.74780%0.799SS**  cis-152.5178.642.343.3-22000120.3
294S28.5Very low31.6Very low102 Ų102121 Ų12171%0.71379%0.791SS**  trans98.6128.1144.881.30000120.9
295T32.1Very low31.6Very low147 Ų147123.8 Ų123.890%0.90280%0.795SS**  trans57124.4148.617.20000121.7
296G28.9Very low31.6Very low73 Ų73122.5 Ų122.575%0.75379%0.792SS**  trans154.473.9149.900000119.9
297F30.9Very low31.6Very low225 Ų225124.6 Ų124.699%0.98780%0.797SS**  trans56.2121.9137.5-143.6-92.5000122.4
298G31.3Very low32.3Very low62 Ų62123.8 Ų123.864%0.63979%0.788SS**  trans136.7108.615000000117.6
299S31.5Very low32.7Very low111 Ų111123.5 Ų123.578%0.77679%0.786SS**  trans29.7140.7138.8-66.70000122
300L29.8Very low32.7Very low144 Ų144121.5 Ų121.575%0.75478%0.784SS**  cis-168157.97.5-105.2160.2000109.8
301I31.8Very low33Very low141 Ų141124.7 Ų124.772%0.72379%0.787SS**  trans60.5137151.668.6-179.5000125.5
302T30.5Very low33Very low130 Ų130122 Ų12280%0.79878%0.778SS**  trans78.3112.1143.835.30000122.6
303A27.2Very low33Very low88 Ų88122.4 Ų122.473%0.72778%0.781SS**  trans-90.2-167148.800000109.2
304P48.8Very low32.3Very low109 Ų109122.7 Ų122.771%0.70879%0.785SS**  cis-133.5-164.6-933.3-10.2000113.7
305T29.2Very low32.5Very low123 Ų123122.5 Ų122.576%0.75579%0.79SS**  trans123.7112.9145.271.40000120.2
306Q30.1Very low32.7Very low190 Ų190119.8 Ų119.889%0.88878%0.782SS**  trans48.3138.8133.7-73.2-178.6-12.800125.1
307S31Very low33.3Very low105 Ų105122.5 Ų122.573%0.73479%0.787SS**  trans-81.4174.2161.465.60000110.6
308P45Very low33.2Very low112 Ų112117.2 Ų117.273%0.72778%0.777SS**  -151.617152.540.5-19.1000118.6
309S36.9Very low33.2Very low122 Ų122118.4 Ų118.485%0.85378%0.782SS**  143141.8127.7-64.40000113.8
310G30.3Very low33.3Very low74 Ų74118.3 Ų118.376%0.76378%0.781SS**  trans129.952.9147.900000120.8
311F32.8Very low33.4Very low210 Ų210116.5 Ų116.592%0.92178%0.78SS**  trans58.3117.6145.4-144.9-100.1000120.4
312G29.7Very low33.6Very low64 Ų64119.1 Ų119.166%0.6679%0.787SS**  trans-102164.3174.200000114.2
313S30.5Very low33.8Very low124 Ų124118.6 Ų118.687%0.86779%0.788SS**  trans-117131.9170.4-69.60000110.1
314S31.9Very low34Very low121 Ų121124 Ų12485%0.84680%0.796SS**  trans-119.2126.6-177.8-68.40000112.6
315A31.9Very low33.1Very low98 Ų98123.5 Ų123.581%0.8180%0.801SS**  trans49132.8138.400000122.9
316A36.3Very low33.3Very low90 Ų90124 Ų12474%0.74480%0.804SS**  trans-13.8161.6149.700000120
317P41Very low34.1Very low130 Ų130121 Ų12184%0.84480%0.801SS**  -142171.8101.239-26.3000116.1
318S30.2Very low34.2Very low113 Ų113121.5 Ų121.579%0.7980%0.804SS**  trans-91.6155.6-179.6-54.80000114.2
319A30.8Very low33.6Very low88 Ų88120.1 Ų120.173%0.72780%0.803SS**  trans47.1122.8142.200000121.1
320S34.3Very low33.4Very low108 Ų108122 Ų12276%0.75580%0.803SS**  158148.9105-68.40000114.5
321S31.3Very low33.6Very low107 Ų107127.7 Ų127.775%0.74881%0.807SS**  trans83148147.8-62.20000121.2
322F35.4Very low34.1Very low195 Ų195122.7 Ų122.786%0.85580%0.796SS**  trans-120.4143.7-165.7-28.5-99.6000109.3
323S34.9Very low35.2Very low119 Ų119125 Ų12583%0.83280%0.799SS**  trans169124.3131.6-78.10000115.1
324F31.9Very low35.9Very low202 Ų202124.7 Ų124.789%0.88679%0.794SS**  trans16.3122135.3-133.4-97.5000121.5
325A29.9Very low35.9Very low98 Ų98125.4 Ų125.481%0.8179%0.793SS**  -178.5162129.800000112.7
326T33.7Very low35.8Very low133 Ų133125.4 Ų125.482%0.81679%0.794SS**  trans-103.2170.8-165.338.20000115.1
327P46.9Very low35.7Very low128 Ų128126.7 Ų126.783%0.83180%0.797SS**  trans-106.1168.1-157.440.6-36.3000116.7
328S31.7Very low35.3Very low115 Ų115126.3 Ų126.380%0.80480%0.797SS**  trans-153.1112.2160.6-161.60000106.9
329A34Very low35.3Very low84 Ų84124.2 Ų124.269%0.69479%0.793SS**  80.297.364.600000114
330D32.3Very low35.5Very low161 Ų161130 Ų13086%0.86180%0.803SS**  trans-169.4109.5137.7-108.8-32.2000115.5
331K34.7Very low35.4Very low194 Ų194127.7 Ų127.784%0.84380%0.796SS**  trans54.8161.6144.6-90.2-151.5154.5179.90124.8
332P42.5Very low35.9Very low105 Ų105127.8 Ų127.868%0.68280%0.796SS**  trans-142.4-148.9-135.845.6-22.6000114.4
333P54.1Low35.8Very low112 Ų112122.6 Ų122.673%0.72779%0.789SS**  -117-169.7-52.240.5-23.8000111.5
334P43.8Very low35.9Very low117 Ų117123.1 Ų123.176%0.7679%0.793SS**  -139153.172.926.3-3.5000117.3
335T31.5Very low35.9Very low136 Ų136116.8 Ų116.883%0.83479%0.785SS**  trans-5.2148.3154.355.10000120.5
336A31Very low36.3Very low99 Ų99121.7 Ų121.782%0.81879%0.788SS**  cis-159.8173.7-0.100000107.8
337S33.5Very low36Very low116 Ų116121 Ų12181%0.81179%0.789SS**  cis-149.8161.517.859.30000112
338S33.1Very low35.6Very low122 Ų122124 Ų12485%0.85379%0.789SS**  trans-67161-174.4-40.70000115
339G30.9Very low35.6Very low69 Ų69124.4 Ų124.471%0.71179%0.792SS**  cis115.6122.2-5.800000115.8
340F33.9Very low35.7Very low210 Ų210126 Ų12692%0.92180%0.798SS**  trans71.9153.2159.6-138.2-103.3000117.9
341G32.2Very low35.5Very low59 Ų59125.3 Ų125.361%0.60880%0.8SS**  cis150.8158.7-6.600000111.9
342S41.9Very low35.3Very low109 Ų109122.5 Ų122.576%0.76280%0.799SS**  trans-67.7151.3-171.5-53.60000115.5
343A33.8Very low34.9Very low86 Ų86121.8 Ų121.871%0.71180%0.802SS**  155.1148.7103.900000115.3
344S37.4Very low33.6Very low131 Ų131122.9 Ų122.992%0.91681%0.807SS**  trans68.4145.4151-57.80000121
345G31.8Very low33Very low69 Ų69122.1 Ų122.171%0.71181%0.81SS**  trans134.996.3155.500000116
346F37.2Very low32.8Very low201 Ų201119.5 Ų119.588%0.88281%0.811SS**  trans-79.4134.5168.4-5.2-98.9000110.6
347S28.7Very low32.8Very low117 Ų117118.9 Ų118.982%0.81881%0.813SS**  trans-162.5137.3148.2-85.50000111.5
348F37.6Very low32.9Very low193 Ų193117.1 Ų117.185%0.84681%0.814SS**  trans-86.5140.717247.6-87.7000109.5
349S31Very low32.9Very low122 Ų122121.6 Ų121.685%0.85382%0.818SS**  trans-154.5130.7159.3-83.10000109.9
350S37.1Very low33.1Very low118 Ų118121.1 Ų121.183%0.82581%0.814SS**  trans-81.1132.2-18051.30000111.5
351T28.5Very low33.4Very low146 Ų146117.5 Ų117.590%0.89682%0.815SS**  trans-138.9134.4156.239.80000111.5
352T30.6Very low33.4Very low136 Ų136119.9 Ų119.983%0.83483%0.829SS**  trans-91.9150.6175.944.40000112.2
353A32.5Very low32.9Very low90 Ų90124.1 Ų124.174%0.74483%0.833SS**  trans78.1153.1151.700000120.7
354T27Very low33Very low134 Ų134122.2 Ų122.282%0.82282%0.823SS**  trans89.395177.6-36.80000113.6
355A31Very low32.7Very low101 Ų101122.3 Ų122.384%0.83582%0.818SS**  77.7112.751.600000114.9
356G29Very low32.7Very low82 Ų82123.5 Ų123.585%0.84582%0.821SS**  trans148.8108.8162.300000117.5
357G29.7Very low32.4Very low85 Ų85118.4 Ų118.488%0.87682%0.816SS**  trans81135.4168.100000115.2
358G35.8Very low32.5Very low80 Ų80117.4 Ų117.483%0.82582%0.815SS**  cis108.7134.723.600000109
359F32.4Very low32.2Very low215 Ų215113.8 Ų113.894%0.94381%0.814SS**  cis-169.4149.819.2-170.4-90.3000111.2
360G35.3Very low32.8Very low60 Ų60114.2 Ų114.262%0.61981%0.813SS**  trans67.9119.4162.200000117.9
361S41Very low32.5Very low134 Ų134111.9 Ų111.994%0.93781%0.808SS**  cis70.1111.536.4-55.40000116.1
362A32.6Very low32.8Very low109 Ų109110.2 Ų110.290%0.90181%0.809SS**  trans-123120.2161.400000110.4
363F31Very low33Very low197 Ų197107 Ų10786%0.86480%0.803SS**  trans-80.3156.5174.9179.9-81.2000109.6
364G34.9Very low33.2Very low47 Ų47109.2 Ų109.249%0.48581%0.81SS.*  cis152.8150.2-0.900000111.6
365T32.4Very low33.6Very low132 Ų132109.7 Ų109.781%0.8181%0.812SS**  trans69.4153.9164.768.40000118.4
366A32.2Very low33.9Very low95 Ų95108.4 Ų108.479%0.78581%0.809SS**  cis-157.3177.41200000110.2
367A29.9Very low34.4Very low93 Ų93112.1 Ų112.177%0.76981%0.809SS**  cis-164.2167.2-6.300000112.4
368A30.8Very low34.9Very low96 Ų96114.2 Ų114.279%0.79380%0.804SS**  trans53.8100.4147.700000124
369S32.6Very low35.4Very low118 Ų118114.6 Ų114.683%0.82580%0.8SS**  21156123.6-101.10000122.8
370P43.1Very low36.1Very low131 Ų131112.1 Ų112.185%0.85180%0.797SS**  cis-141.5159.93640.2-21.8000119.1
371G30.6Very low37.1Very low68 Ų68111.1 Ų111.170%0.70179%0.786SS**  trans146126.7153.600000117.4
372A35.2Very low37.9Very low111 Ų111112.2 Ų112.292%0.91778%0.781SS**  trans67.9135.9170.300000118.3
373G32.9Very low39Very low70 Ų70111.8 Ų111.872%0.72276%0.759SS**PPolyproline II helixtrans-88.4164.7-169.900000115.4
374P38.1Very low40.4Very low135 Ų135103.3 Ų103.388%0.87772%0.724SS**PPolyproline II helixtrans-75.2134-174.530.1-34.3000112.9
375V35.9Very low41.5Very low144 Ų144104.5 Ų104.587%0.87372%0.723SS**PPolyproline II helixtrans-65.2141.8163.5-78.80000110.4
376G36.6Very low42.6Very low74 Ų74102.6 Ų102.676%0.76371%0.705SS**PPolyproline II helixtrans-73.2152.1-165.900000115.8
377D39.5Very low43.8Very low161 Ų161103.5 Ų103.586%0.86171%0.706SS**  trans-44.7139.3175.5-86.9-78.9000115A379D377-A379 PolarHBondContact O-N 3.2Å
378V39.7Very low45.1Very low128 Ų128106.1 Ų106.178%0.77670%0.7SS**  trans-66.2102.9164.2-179.80000108.3D380V378-D380 HydrophobicContact CG1-CB 4.35Å; V378-D380 PolarHBondContact O-N 3.05Å
379A46Very low46.3Very low89 Ų89102.5 Ų102.574%0.73667%0.667SS**  trans-76.473.4175.100000110.8D377 G381D377-A379 PolarHBondContact O-N 3.2Å; A379-G381 PolarHBondContact O-N 2.84Å
380D48Very low47.8Very low162 Ų162100.3 Ų100.387%0.86665%0.649SS**  trans-75.358.7174.7-144.5-12.2000110.6V378V378-D380 HydrophobicContact CG1-CB 4.35Å; V378-D380 PolarHBondContact O-N 3.05Å
381G55.8Low48.6Very low39 Ų39100.7 Ų100.740%0.40264%0.639SS.*  trans-128.6115.9-173.700000110.7A379 F383A379-G381 PolarHBondContact O-N 2.84Å; G381-F383 PolarHBondContact O-N 3.37Å
382L58.6Low50.1Low158 Ų158103.7 Ų103.783%0.82764%0.635SS**SBendtrans-57-18.8-176.1-71.5161.7000114.6
383F54.9Low51.4Low100 Ų10099.9 Ų99.944%0.43960%0.598SS.*SBendtrans-139.9132.5177.4-61.6-72.8000110.8G381 P412 A414 L417G381-F383 PolarHBondContact O-N 3.37Å; F383-P412 WeakPolarHBondContact CD1-O 3.46Å; F383-A414 HydrophobicContact CB-CB 4.14Å; F383-A414 HydrophobicContact CD1-CB 3.85Å; F383-A414 HydrophobicContact CD2-CB 4.19Å; F383-A414 HydrophobicContact CE1-CB 4.36Å; F383-A414 HydrophobicContact CG-CB 3.77Å; F383-L417 HydrophobicContact CE1-CD1 3.73Å; F383-L417 HydrophobicContact CE1-CG 4.46Å; F383-L417 HydrophobicContact CZ-CD1 4.03Å
384S61.7Low52.9Low18 Ų1897.9 Ų97.913%0.12657%0.571CS.*  trans-78.4132.5176.9-54.70000111.1L389 P411 P413S384-L389 VanDerWaalsContact CB-CD1 3.46Å; S384-P411 VanDerWaalsContact CB-O 3.3Å; S384-P411 WeakPolarHBondContact CB-O 3.5Å; S384-P411 WeakPolarHBondContact OG-CD 3.12Å; S384-P411 PolarHBondContact OG-O 3.14Å; S384-P413 WeakPolarHBondContact O-CB 3.41Å
385P56.9Low54.1Low72 Ų7295.7 Ų95.747%0.46855%0.552SS.*  trans-69.9138.7170.528.9-33.4000110.5S387 K388P385-S387 PolarHBondContact O-N 3.47Å; P385-K388 HydrophobicContact CG-CB 4.44Å; P385-K388 HydrophobicContact CG-CD 4.22Å; P385-K388 HydrophobicContact CG-CG 4.25Å; P385-K388 PolarHBondContact O-N 2.89Å
386E55.3Low55.4Low92 Ų9289.8 Ų89.843%0.4352%0.515SS..G310 helixtrans-57.4-26.8-174.2-65175.2-160.300113.3K388 L389 P413 N415E386-K388 PolarHBondContact O-N 2.65Å; E386-L389 PolarHBondContact O-N 2.93Å; E386-P413 HydrophobicContact CG-CB 3.91Å; E386-P413 HydrophobicContact CG-CG 4.37Å; E386-N415 PolarHBondContact OE1-ND2 3.22Å
387S58.1Low56.6Low115 Ų11587.9 Ų87.980%0.80449%0.485SS*.G310 helixtrans-70.2-7.2175.554.30000115.4P385P385-S387 PolarHBondContact O-N 3.47Å
388K55.9Low57.8Low148 Ų14886.6 Ų86.664%0.64347%0.472SS*.G310 helixtrans-109.75.6173.9-69.8-170.7176.2-175.30113.7P385 E386 K410P385-K388 HydrophobicContact CG-CB 4.44Å; P385-K388 HydrophobicContact CG-CD 4.22Å; P385-K388 HydrophobicContact CG-CG 4.25Å; P385-K388 PolarHBondContact O-N 2.89Å; E386-K388 PolarHBondContact O-N 2.65Å; K388-K410 PolarHBondContact O-NZ 3.15Å
389L56.6Low58.9Low19 Ų1982.6 Ų82.610%0.09945%0.453CS..SBendtrans-100.9142.5172.5-88.770000110.2S384 E386 E393 F397 K410S384-L389 VanDerWaalsContact CB-CD1 3.46Å; E386-L389 PolarHBondContact O-N 2.93Å; L389-E393 WeakPolarHBondContact CA-OE2 3.07Å; L389-E393 HydrophobicContact CB-CB 4.38Å; L389-E393 HydrophobicContact CD2-CB 4.25Å; L389-E393 HydrophobicContact CG-CB 4.27Å; L389-F397 HydrophobicContact CD2-CD2 3.81Å; L389-F397 HydrophobicContact CD2-CE2 3.71Å; L389-K410 HydrophobicContact CD1-CD 4.25Å
390T64Low59.6Low72 Ų7288.2 Ų88.244%0.44246%0.46SS..  trans-75.2157169.966.60000110.3E392 E393 L394T390-E392 PolarHBondContact O-N 3.02Å; T390-E392 VanDerWaalsContact O-N 3.08Å; T390-E393 PolarHBondContact N-OE2 3.44Å; T390-E393 PolarHBondContact O-N 2.83Å; T390-E393 VanDerWaalsContact O-N 3.13Å; T390-E393 WeakPolarHBondContact OG1-CG 3.44Å; T390-E393 PolarHBondContact OG1-OE2 3.29Å; T390-L394 PolarHBondContact O-N 3.22Å; T390-L394 VanDerWaalsContact O-N 3.11Å
391Q59.8Low60.1Low139 Ų13991 Ų9165%0.6546%0.459SS*.Hα-helixtrans-57-27.9-179.7-164.769.98.300112.5N395Q391-N395 WeakPolarHBondContact O-CB 3.45Å; Q391-N395 VanDerWaalsContact O-CG 3.23Å; Q391-N395 PolarHBondContact O-N 3.04Å; Q391-N395 VanDerWaalsContact O-N 3.14Å; Q391-N395 PolarHBondContact O-ND2 2.99Å
392E62.1Low60.6Low132 Ų13294 Ų9462%0.61746%0.461SS*.Hα-helixtrans-73.5-45.6178.6-67.5158-169.300112T390 L394 N395 Q396T390-E392 PolarHBondContact O-N 3.02Å; T390-E392 VanDerWaalsContact O-N 3.08Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 2.81Å; E392-N395 PolarHBondContact O-N 2.62Å; E392-Q396 WeakPolarHBondContact O-CG 3.45Å; E392-Q396 PolarHBondContact O-N 3Å; E392-Q396 VanDerWaalsContact O-N 3.13Å
393E63.3Low60.8Low31 Ų3190.3 Ų90.315%0.14545%0.445CS..Hα-helixtrans-60.3-42.5173.8-65.4173.7125.300110.7L389 T390 N395 Q396 F397 P408 K410L389-E393 WeakPolarHBondContact CA-OE2 3.07Å; L389-E393 HydrophobicContact CB-CB 4.38Å; L389-E393 HydrophobicContact CD2-CB 4.25Å; L389-E393 HydrophobicContact CG-CB 4.27Å; T390-E393 PolarHBondContact N-OE2 3.44Å; T390-E393 PolarHBondContact O-N 2.83Å; T390-E393 VanDerWaalsContact O-N 3.13Å; T390-E393 WeakPolarHBondContact OG1-CG 3.44Å; T390-E393 PolarHBondContact OG1-OE2 3.29Å; E393-N395 PolarHBondContact O-N 3Å; E393-Q396 PolarHBondContact O-N 3.4Å; E393-F397 WeakPolarHBondContact O-CD2 3.38Å; E393-F397 PolarHBondContact O-N 3.3Å; E393-F397 VanDerWaalsContact O-N 3.08Å; E393-P408 HydrophobicContact CB-CB 4.25Å; E393-P408 HydrophobicContact CB-CG 3.9Å; E393-P408 HydrophobicContact CG-CB 4.06Å; E393-P408 HydrophobicContact CG-CG 4Å; E393-K410 IonicContact OE1-NZ 3.81Å; E393-K410 PolarHBondContact OE1-NZ 3.24Å; E393-K410 IonicContact OE2-NZ 2.84Å; E393-K410 PolarHBondContact OE2-NZ 2.93Å
394L64Low60.4Low27 Ų2793.7 Ų93.714%0.14147%0.467CS..Hα-helixtrans-67.2-36.6-179.4-160.1154.2000112.1T390 E392 Q396 K398T390-L394 PolarHBondContact O-N 3.22Å; T390-L394 VanDerWaalsContact O-N 3.11Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 2.81Å; L394-Q396 VanDerWaalsContact C-N 3.34Å; L394-K398 HydrophobicContact CD2-CD 3.81Å; L394-K398 VanDerWaalsContact CD2-CE 3.41Å; L394-K398 HydrophobicContact CD2-CG 4.48Å; L394-K398 VanDerWaalsContact CD2-NZ 3.27Å; L394-K398 WeakPolarHBondContact O-CG 3.28Å; L394-K398 PolarHBondContact O-N 3.06Å
395N64.3Low60.4Low89 Ų8996.6 Ų96.648%0.47650%0.5SS..Hα-helixtrans-68.1-32.1173.5-76.4-25.2000112.8Q391 E392 E393 K398 A399Q391-N395 WeakPolarHBondContact O-CB 3.45Å; Q391-N395 VanDerWaalsContact O-CG 3.23Å; Q391-N395 PolarHBondContact O-N 3.04Å; Q391-N395 VanDerWaalsContact O-N 3.14Å; Q391-N395 PolarHBondContact O-ND2 2.99Å; E392-N395 PolarHBondContact O-N 2.62Å; E393-N395 PolarHBondContact O-N 3Å; N395-K398 PolarHBondContact O-N 3.49Å; N395-A399 PolarHBondContact O-N 3.48Å; N395-A399 VanDerWaalsContact O-N 3.13Å
396Q63Low60.4Low21 Ų2198.6 Ų98.610%0.09850%0.503CS..Hα-helixtrans-70.3-42175-73156.912.300111.9E392 E393 L394 K398 A399 F402 Q406E392-Q396 WeakPolarHBondContact O-CG 3.45Å; E392-Q396 PolarHBondContact O-N 3Å; E392-Q396 VanDerWaalsContact O-N 3.13Å; E393-Q396 PolarHBondContact O-N 3.4Å; L394-Q396 VanDerWaalsContact C-N 3.34Å; Q396-K398 PolarHBondContact O-N 3.43Å; Q396-A399 WeakPolarHBondContact O-CB 3.48Å; Q396-A399 PolarHBondContact O-N 3.08Å; Q396-F402 HydrophobicContact CB-CD1 4.1Å; Q396-F402 HydrophobicContact CB-CE1 4.18Å; Q396-F402 WeakPolarHBondContact O-CE1 3.49Å; Q396-Q406 VanDerWaalsContact NE2-CB 3.27Å; Q396-Q406 PolarHBondContact OE1-O 3.3Å
397F60.5Low60.6Low34 Ų3499 Ų9915%0.14951%0.507CS..Hα-helixtrans-64-24.5171.9-72.7-63.5000113.3L389 E393 F402 P408 P412 M416L389-F397 HydrophobicContact CD2-CD2 3.81Å; L389-F397 HydrophobicContact CD2-CE2 3.71Å; E393-F397 WeakPolarHBondContact O-CD2 3.38Å; E393-F397 PolarHBondContact O-N 3.3Å; E393-F397 VanDerWaalsContact O-N 3.08Å; F397-F402 HydrophobicContact CD1-CE1 4.08Å; F397-F402 AromaticContact CD1-CZ 3.91Å; F397-F402 HydrophobicContact CD1-CZ 3.91Å; F397-F402 HydrophobicContact CE1-CE1 4.37Å; F397-F402 HydrophobicContact CE1-CZ 4.27Å; F397-P408 HydrophobicContact CD2-CG 4.36Å; F397-P408 HydrophobicContact CE2-CB 3.76Å; F397-P408 HydrophobicContact CE2-CG 3.72Å; F397-P408 HydrophobicContact CZ-CB 3.84Å; F397-P408 HydrophobicContact CZ-CG 3.97Å; F397-P412 HydrophobicContact CD1-CB 3.94Å; F397-P412 HydrophobicContact CE1-CB 3.64Å; F397-P412 HydrophobicContact CE1-CG 4.46Å; F397-P412 HydrophobicContact CZ-CB 4.15Å; F397-M416 HydrophobicContact CB-CE 4.47Å; F397-M416 WeakPolarHBondContact O-CE 3.42Å
398K64.4Low60.6Low133 Ų13394.4 Ų94.458%0.57847%0.474SS*.THydrogen-bonded Turntrans-83.6-11.2171.9-75.2176.8176.7171.20114.2L394 N395 Q396 M416L394-K398 HydrophobicContact CD2-CD 3.81Å; L394-K398 VanDerWaalsContact CD2-CE 3.41Å; L394-K398 HydrophobicContact CD2-CG 4.48Å; L394-K398 VanDerWaalsContact CD2-NZ 3.27Å; L394-K398 WeakPolarHBondContact O-CG 3.28Å; L394-K398 PolarHBondContact O-N 3.06Å; N395-K398 PolarHBondContact O-N 3.49Å; Q396-K398 PolarHBondContact O-N 3.43Å; K398-M416 HydrophobicContact CB-CE 4.3Å; K398-M416 HydrophobicContact CG-CE 3.55Å; K398-M416 HydrophobicContact CG-SD 4.4Å
399A62.9Low60.9Low45 Ų4595.9 Ų95.937%0.37249%0.488SS..SBendtrans-82.2135.5-178.100000111.2N395 Q396 R401N395-A399 PolarHBondContact O-N 3.48Å; N395-A399 VanDerWaalsContact O-N 3.13Å; Q396-A399 WeakPolarHBondContact O-CB 3.48Å; Q396-A399 PolarHBondContact O-N 3.08Å; A399-R401 PolarHBondContact O-N 3.39Å
400K60.8Low61.2Low206 Ų20698.9 Ų98.990%0.89650%0.501SS*.SBendtrans-61.2-13.4175.5-68.5-174.4176.1-176.60114.1
401R58.3Low61.2Low221 Ų22198.1 Ų98.183%0.83450%0.497SS*.SBendtrans-149.8132.1176.7-60.9-177.268.7162.90.9108.7A399A399-R401 PolarHBondContact O-N 3.39Å
402F67.9Low61.2Low103 Ų10393.6 Ų93.645%0.45248%0.48SS..PPolyproline II helixtrans-72.8146.9173.1-67.6-84.1000112.1Q396 F397 I407Q396-F402 HydrophobicContact CB-CD1 4.1Å; Q396-F402 HydrophobicContact CB-CE1 4.18Å; Q396-F402 WeakPolarHBondContact O-CE1 3.49Å; F397-F402 HydrophobicContact CD1-CE1 4.08Å; F397-F402 AromaticContact CD1-CZ 3.91Å; F397-F402 HydrophobicContact CD1-CZ 3.91Å; F397-F402 HydrophobicContact CE1-CE1 4.37Å; F397-F402 HydrophobicContact CE1-CZ 4.27Å; F402-I407 HydrophobicContact CB-CG1 4.47Å
403T62.2Low61.1Low79 Ų7987.6 Ų87.649%0.48545%0.452SS..BIsolated β-bridgetrans-86.4122172.340.60000110.7G405 Q406T403-G405 PolarHBondContact O-N 2.89Å; T403-Q406 CarbonylContact O-C 3.47Å; T403-Q406 PolarHBondContact O-N 3.1Å; T403-Q406 VanDerWaalsContact O-N 3.1Å
404L46.4Very low60.8Low171 Ų17188.6 Ų88.690%0.89547%0.466SS*.THydrogen-bonded Turntrans-57.9132.9175.2-72.5169.7000110.7
405G61.7Low60.6Low80 Ų8093.4 Ų93.483%0.82549%0.491SS*.THydrogen-bonded Turntrans92.6-13.2-175.500000114.9T403T403-G405 PolarHBondContact O-N 2.89Å
406Q57.8Low60.3Low114 Ų11491.5 Ų91.553%0.53348%0.48SS..BIsolated β-bridgetrans-132.381.5168-61.1-170.2-24.300109.6Q396 T403Q396-Q406 VanDerWaalsContact NE2-CB 3.27Å; Q396-Q406 PolarHBondContact OE1-O 3.3Å; T403-Q406 CarbonylContact O-C 3.47Å; T403-Q406 PolarHBondContact O-N 3.1Å; T403-Q406 VanDerWaalsContact O-N 3.1Å
407I59Low60Low101 Ų10195.9 Ų95.952%0.51850%0.504SS..  trans-117.4119173.3-60176.6000106.4F402 L409F402-I407 HydrophobicContact CB-CG1 4.47Å; I407-L409 PolarHBondContact O-N 2.76Å
408P57.9Low59.8Low18 Ų18101 Ų10112%0.11754%0.538CS..  trans-62.7133.2-178.5-23.534.9000111.5E393 F397 K410E393-P408 HydrophobicContact CB-CB 4.25Å; E393-P408 HydrophobicContact CB-CG 3.9Å; E393-P408 HydrophobicContact CG-CB 4.06Å; E393-P408 HydrophobicContact CG-CG 4Å; F397-P408 HydrophobicContact CD2-CG 4.36Å; F397-P408 HydrophobicContact CE2-CB 3.76Å; F397-P408 HydrophobicContact CE2-CG 3.72Å; F397-P408 HydrophobicContact CZ-CB 3.84Å; F397-P408 HydrophobicContact CZ-CG 3.97Å; P408-K410 VanDerWaalsContact C-N 3.28Å
409L62.6Low58.9Low179 Ų179102.9 Ų102.994%0.93756%0.56SS**SBendtrans-80.8-8178.1-63.7176.8000113.3I407I407-L409 PolarHBondContact O-N 2.76Å
410K62.9Low58.7Low81 Ų81105.8 Ų105.835%0.35257%0.569SS.*SBendtrans-88.5145.3177.9-62.2171.7-166.8150.20110.3K388 L389 E393 P408K388-K410 PolarHBondContact O-NZ 3.15Å; L389-K410 HydrophobicContact CD1-CD 4.25Å; E393-K410 IonicContact OE1-NZ 3.81Å; E393-K410 PolarHBondContact OE1-NZ 3.24Å; E393-K410 IonicContact OE2-NZ 2.84Å; E393-K410 PolarHBondContact OE2-NZ 2.93Å; P408-K410 VanDerWaalsContact C-N 3.28Å
411P62.8Low58.6Low56 Ų56100.5 Ų100.536%0.36455%0.552SS.*PPolyproline II helixtrans-62.4143.9176.425.3-32.5000111S384S384-P411 VanDerWaalsContact CB-O 3.3Å; S384-P411 WeakPolarHBondContact CB-O 3.5Å; S384-P411 WeakPolarHBondContact OG-CD 3.12Å; S384-P411 PolarHBondContact OG-O 3.14Å
412P60Low58.7Low45 Ų4593.8 Ų93.829%0.29254%0.536SS..PPolyproline II helixtrans-58152-17923.2-33.4000111.8F383 F397F383-P412 WeakPolarHBondContact CD1-O 3.46Å; F397-P412 HydrophobicContact CD1-CB 3.94Å; F397-P412 HydrophobicContact CE1-CB 3.64Å; F397-P412 HydrophobicContact CE1-CG 4.46Å; F397-P412 HydrophobicContact CZ-CB 4.15Å
413P59.5Low58.1Low5 Ų593.3 Ų93.33%0.03254%0.541CS..PPolyproline II helixtrans-68.2142.2170.928.4-33.4000110.8S384 E386 N415 M416S384-P413 WeakPolarHBondContact O-CB 3.41Å; E386-P413 HydrophobicContact CG-CB 3.91Å; E386-P413 HydrophobicContact CG-CG 4.37Å; P413-N415 PolarHBondContact O-N 3.16Å; P413-M416 HydrophobicContact CG-CB 4.26Å; P413-M416 HydrophobicContact CG-CG 3.86Å; P413-M416 PolarHBondContact O-N 3.22Å
414A57.4Low57.9Low52 Ų5294.2 Ų94.243%0.4355%0.545SS..G310 helixtrans-55.7-29.9-174.300000114.1F383 M416F383-A414 HydrophobicContact CB-CB 4.14Å; F383-A414 HydrophobicContact CD1-CB 3.85Å; F383-A414 HydrophobicContact CD2-CB 4.19Å; F383-A414 HydrophobicContact CE1-CB 4.36Å; F383-A414 HydrophobicContact CG-CB 3.77Å; A414-M416 PolarHBondContact O-N 3.01Å
415N59.3Low58.6Low128 Ų12889.1 Ų89.168%0.68452%0.522SS*.G310 helixtrans-67.7-13.2179.5-62.8-31000114.2E386 P413E386-N415 PolarHBondContact OE1-ND2 3.22Å; P413-N415 PolarHBondContact O-N 3.16Å
416M59.1Low58.4Low50 Ų5089.7 Ų89.725%0.24650%0.5CS..G310 helixtrans-106.410-174.6-66.6-67-64.200113.8F397 K398 P413 A414 V418 V419F397-M416 HydrophobicContact CB-CE 4.47Å; F397-M416 WeakPolarHBondContact O-CE 3.42Å; K398-M416 HydrophobicContact CB-CE 4.3Å; K398-M416 HydrophobicContact CG-CE 3.55Å; K398-M416 HydrophobicContact CG-SD 4.4Å; P413-M416 HydrophobicContact CG-CB 4.26Å; P413-M416 HydrophobicContact CG-CG 3.86Å; P413-M416 PolarHBondContact O-N 3.22Å; A414-M416 PolarHBondContact O-N 3.01Å; M416-V418 PolarHBondContact O-N 3.26Å; M416-V419 HydrophobicContact CE-CG2 4.33Å
417L57.4Low58.5Low113 Ų11387.8 Ų87.859%0.59250%0.498SS*.SBendtrans-77.5-1.1173.8-70.2179.7000114.2F383F383-L417 HydrophobicContact CE1-CD1 3.73Å; F383-L417 HydrophobicContact CE1-CG 4.46Å; F383-L417 HydrophobicContact CZ-CD1 4.03Å
418V54.9Low58.4Low141 Ų14186.8 Ų86.886%0.85550%0.496SS*.  trans-119.585.2178.6-1720000109M416M416-V418 PolarHBondContact O-N 3.26Å
419V46.9Very low58.4Low173 Ų17393 Ų93100%1.04853%0.53SS*.  trans-135.60177.1178.80000109.9M416M416-V419 HydrophobicContact CE-CG2 4.33Å

Retrieved 419 of 419 residues in 153.6 ms (Link to these results)

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