A0A077Z3Z0_TRITR Loading...

Doublesex and mab 3 related transcription factor

AlphaFold DB , UniProt , Accession A0A077Z3Z0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 367 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
1M45Very low52.8Low238 Ų238148.6 Ų148.6100%1.17281%0.806SS**  01600-76.3158.3168.800108.6
2M52.6Low52.9Low187 Ų187148.2 Ų148.292%0.92179%0.794SS**  trans51.593-178-56.1-45.7-174.600116.1
3R50.5Low53Low236 Ų236143.5 Ų143.589%0.89179%0.789SS**  trans-78.7117.9158.4-73.3177.1-76.9-144.5-1.9107.6T5R3-T5 PolarHBondContact O-N 3.34Å
4G58Low53.4Low86 Ų86142.4 Ų142.489%0.88778%0.775SS**  trans-89.669.7172.500000111.2
5T62.6Low53.5Low99 Ų99148.3 Ų148.361%0.60778%0.781SS**  trans-84.3160.816559.10000109.8R3R3-T5 PolarHBondContact O-N 3.34Å
6D52.4Low54.8Low137 Ų137143.2 Ų143.273%0.73378%0.776SS**  trans64.7110.8161.7-44.8-56.4000117.7
7L57.5Low56.4Low161 Ų161142.4 Ų142.484%0.84378%0.776SS**  -172.4122115.5-96.8164.1000112
8L51.4Low58Low140 Ų140147.6 Ų147.673%0.73378%0.783SS**  trans57.987.4157.5-57.6178.3000119.5
9P50.3Low59.5Low130 Ų130145.2 Ų145.284%0.84476%0.762SS**SBendtrans-65.5155.2153.230.4-34.5000112
10Y48.7Very low61.2Low136 Ų136142 Ų14253%0.53375%0.75SS.*SBendtrans85.139.1169.2-149.1-93.4000119.2W33Y10-W33 AromaticContact CE1-CD1 3.7Å; Y10-W33 HydrophobicContact CE1-CG 4.46Å; Y10-W33 AromaticContact CE1-NE1 3.91Å
11A51.3Low62.9Low85 Ų85141.1 Ų141.170%0.70274%0.74SS**  trans-122.6-5.6167.100000116.3A13A11-A13 PolarHBondContact O-N 3.23Å
12H54.5Low65.3Low143 Ų143130.4 Ų130.466%0.66269%0.688SS**  trans-79.1107.8-170.6-75.3-92.4000114.1E14H12-E14 HydrophobicContact CB-CG 4.08Å; H12-E14 PolarHBondContact O-N 3.42Å
13A54.8Low67.4Low88 Ų88123.3 Ų123.373%0.72766%0.659SS**  trans-89.181.1162.800000109.3A11 R15A11-A13 PolarHBondContact O-N 3.23Å; A13-R15 PolarHBondContact O-N 2.86Å
14E57.7Low69.7Low127 Ų127114.5 Ų114.559%0.59363%0.626SS**  trans-70.391.6-177.3-64.5-119.1108.600111.6H12 G16H12-E14 HydrophobicContact CB-CG 4.08Å; H12-E14 PolarHBondContact O-N 3.42Å; E14-G16 PolarHBondContact O-N 3.4Å
15R55.9Low71.5Confident231 Ų231110.4 Ų110.487%0.87258%0.584SS**THydrogen-bonded Turntrans42.650.8151.6-71.4177.3-85.7-132.6-4.5116.9A13A13-R15 PolarHBondContact O-N 2.86Å
16G73Confident73.2Confident67 Ų67114 Ų11469%0.69159%0.586SS**THydrogen-bonded Turntrans146.3-37.2157.900000115.3E14 R18E14-G16 PolarHBondContact O-N 3.4Å; G16-R18 PolarHBondContact O-N 3.05Å; G16-R18 VanDerWaalsContact O-N 3.14Å
17V82.5Confident75.3Confident129 Ų129108.9 Ų108.978%0.78256%0.559SS**  trans-80.7101.8-171.4-173.60000111.4R19V17-R19 PolarHBondContact O-N 3.33Å
18R85.5Confident77.3Confident237 Ų237104.1 Ų104.189%0.89453%0.532SS*.  trans-65.3106.1177.1-71.9-174.8172.4120.6-3.1111.4G16G16-R18 PolarHBondContact O-N 3.05Å; G16-R18 VanDerWaalsContact O-N 3.14Å
19R86.7Confident79.4Confident101 Ų101101 Ų10138%0.38153%0.534SS..PPolyproline II helixtrans-61.8128.2176.6-57.3174.6100.9-158.210.2110.6V17 W33V17-R19 PolarHBondContact O-N 3.33Å; R19-W33 HydrophobicContact CB-CE3 3.83Å; R19-W33 HydrophobicContact CB-CZ3 3.69Å; R19-W33 WeakPolarHBondContact O-CZ3 3.43Å
20P93.1Very high81.6Confident82 Ų8298.2 Ų98.253%0.53251%0.51SS..PPolyproline II helixtrans-71.9141.8-17626.2-33.6000113L34P20-L34 HydrophobicContact CB-CB 4.15Å; P20-L34 HydrophobicContact CB-CD2 4.12Å; P20-L34 HydrophobicContact CG-CB 4.21Å; P20-L34 HydrophobicContact CG-CD2 4.42Å; P20-L34 WeakPolarHBondContact O-CB 3.35Å; P20-L34 PolarHBondContact O-N 3.24Å
21K96Very high83.8Confident124 Ų12496.5 Ų96.554%0.53951%0.514SS..BIsolated β-bridgetrans-103.9153.6177-70.4-175.5-86.4-170.60111.3A23 V31 S32 W33K21-A23 PolarHBondContact O-N 3.28Å; K21-V31 HydrophobicContact CD-CG1 3.63Å; K21-V31 HydrophobicContact CG-CG1 4.39Å; K21-S32 CarbonylContact C-O 3.54Å; K21-S32 WeakPolarHBondContact CA-O 3.41Å; K21-W33 HydrophobicContact CD-CZ3 4.37Å; K21-W33 HydrophobicContact CG-CE3 3.85Å; K21-W33 HydrophobicContact CG-CZ3 3.88Å
22C97.1Very high86Confident13 Ų1393.3 Ų93.39%0.08849%0.486CS..PPolyproline II helixtrans-72.1120.3177.6-171.70000111.6C25 R26 S32C22-C25 HydrophobicContact CB-CB 4.22Å; C22-R26 PolarHBondContact O-N 3.44Å; C22-S32 WeakPolarHBondContact CB-OG 3.45Å; C22-S32 PolarHBondContact N-O 2.82Å
23A96.4Very high87.9Confident38 Ų3891.6 Ų91.631%0.31447%0.474SS..Hα-helixtrans-64.9-38.8178.200000112.7K21 R26 N27 I54K21-A23 PolarHBondContact O-N 3.28Å; A23-R26 PolarHBondContact O-N 3.13Å; A23-N27 PolarHBondContact O-N 3.17Å; A23-N27 PolarHBondContact O-OD1 3.49Å; A23-I54 VanDerWaalsContact C-CD1 3.46Å; A23-I54 HydrophobicContact CB-CD1 3.6Å; A23-I54 HydrophobicContact CB-CG1 4.28Å; A23-I54 HydrophobicContact CB-CG2 4.42Å; A23-I54 WeakPolarHBondContact O-CD1 3.49Å
24R97.4Very high89.8Confident51 Ų5191.2 Ų91.219%0.19246%0.46CS..Hα-helixtrans-62.5-53.7178.9-74178.2171.1-94.5-0.7111.3R26 N27 H28 Y43 K44 C46 I54R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 3.15Å; R24-N27 WeakPolarHBondContact O-CB 3.5Å; R24-N27 PolarHBondContact O-N 3.27Å; R24-N27 VanDerWaalsContact O-N 3.16Å; R24-H28 PolarHBondContact O-CD2 3.46Å; R24-H28 VanDerWaalsContact O-CD2 3.29Å; R24-Y43 WeakPolarHBondContact CD-O 3.13Å; R24-Y43 PolarHBondContact NH1-O 2.77Å; R24-K44 PolarHBondContact NE-O 2.69Å; R24-K44 PolarHBondContact NH1-O 2.98Å; R24-C46 PolarHBondContact NH1-O 3.39Å; R24-I54 HydrophobicContact CG-CD1 4.2Å
25C97.8Very high91.5Very high0 Ų094.2 Ų94.20%047%0.471CS..Hα-helixtrans-57.6-41.4176.7-70.50000113C22 N27 H28 G29 M30 S32 H37 Y43C22-C25 HydrophobicContact CB-CB 4.22Å; C25-N27 PolarHBondContact O-N 3.13Å; C25-H28 CarbonylContact O-C 2.93Å; C25-H28 PolarHBondContact O-N 3.31Å; C25-G29 PolarHBondContact O-N 3.43Å; C25-M30 CarbonylContact C-O 3.48Å; C25-M30 HydrophobicContact CB-CB 4.19Å; C25-M30 HydrophobicContact CB-CG 4.47Å; C25-M30 VanDerWaalsContact CB-O 3.22Å; C25-M30 WeakPolarHBondContact CB-O 3.4Å; C25-M30 PolarHBondContact O-N 3.28Å; C25-M30 VanDerWaalsContact O-N 3.15Å; C25-S32 WeakPolarHBondContact CB-OG 3.37Å; C25-S32 PolarHBondContact SG-OG 3.25Å; C25-S32 VanDerWaalsContact SG-OG 3.36Å; C25-H37 PolarHBondContact SG-NE2 3.44Å; C25-Y43 HydrophobicContact CB-CD2 4.31Å
26R97Very high93.3Very high173 Ų17386.1 Ų86.165%0.65346%0.459SS*.Hα-helixtrans-56.7-35.4179-172.8-177.567.2163.11.2112.5C22 A23 R24 H28 G29 M30C22-R26 PolarHBondContact O-N 3.44Å; A23-R26 PolarHBondContact O-N 3.13Å; R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 3.15Å; R26-H28 PolarHBondContact O-N 3.37Å; R26-G29 PolarHBondContact O-N 3.4Å; R26-M30 PolarHBondContact N-O 2.91Å; R26-M30 VanDerWaalsContact N-O 3.17Å
27N97.3Very high94.4Very high30 Ų3084.3 Ų84.316%0.1643%0.432CS..Hα-helixtrans-65.7-20.6177.7-70-5.9000114A23 R24 C25 K50 I54A23-N27 PolarHBondContact O-N 3.17Å; A23-N27 PolarHBondContact O-OD1 3.49Å; R24-N27 WeakPolarHBondContact O-CB 3.5Å; R24-N27 PolarHBondContact O-N 3.27Å; R24-N27 VanDerWaalsContact O-N 3.16Å; C25-N27 PolarHBondContact O-N 3.13Å; N27-K50 HydrophobicContact CB-CB 4.11Å; N27-K50 PolarHBondContact ND2-O 3.14Å; N27-K50 PolarHBondContact O-NZ 3.06Å; N27-I54 WeakPolarHBondContact ND2-CD1 3.28Å
28H98Very high95Very high61 Ų6186.7 Ų86.728%0.28243%0.432SS..THydrogen-bonded Turntrans-11120.8-178.2-61.2-82.4000112.4R24 C25 R26 M30 Y43 C46 C51R24-H28 PolarHBondContact O-CD2 3.46Å; R24-H28 VanDerWaalsContact O-CD2 3.29Å; C25-H28 CarbonylContact O-C 2.93Å; C25-H28 PolarHBondContact O-N 3.31Å; R26-H28 PolarHBondContact O-N 3.37Å; H28-M30 PolarHBondContact O-N 3.46Å; H28-Y43 HydrophobicContact CB-CD1 4.11Å; H28-Y43 HydrophobicContact CB-CD2 4.22Å; H28-Y43 HydrophobicContact CB-CE1 3.66Å; H28-Y43 HydrophobicContact CB-CE2 3.79Å; H28-Y43 HydrophobicContact CB-CG 4.36Å; H28-Y43 VanDerWaalsContact CB-CZ 3.49Å; H28-Y43 AromaticContact CD2-CD1 3.42Å; H28-Y43 VanDerWaalsContact CD2-CD1 3.42Å; H28-Y43 WeakPolarHBondContact CD2-CD1 3.34Å; H28-Y43 AromaticContact CD2-CD2 3.89Å; H28-Y43 AromaticContact CD2-CE1 3.91Å; H28-Y43 AromaticContact CD2-CG 3.4Å; H28-Y43 VanDerWaalsContact CD2-CG 3.4Å; H28-Y43 AromaticContact CG-CD1 3.6Å; H28-Y43 AromaticContact CG-CE1 3.6Å; H28-Y43 AromaticContact CG-CG 3.95Å; H28-Y43 AromaticContact CG-CZ 3.95Å; H28-Y43 AromaticContact ND1-CD1 3.98Å; H28-Y43 AromaticContact ND1-CE1 3.98Å; H28-Y43 AromaticContact NE2-CD1 3.75Å; H28-Y43 AromaticContact NE2-CG 3.95Å; H28-C46 PolarHBondContact CE1-SG 3.02Å; H28-C46 PolarHBondContact NE2-SG 3.14Å; H28-C46 VanDerWaalsContact NE2-SG 3.43Å; H28-C51 PolarHBondContact NE2-SG 3.02Å; H28-C51 VanDerWaalsContact NE2-SG 3.43Å
29G97Very high95.5Very high74 Ų7485.9 Ų85.976%0.76343%0.429SS*.THydrogen-bonded Turntrans77.4-1.617700000115.6C25 R26C25-G29 PolarHBondContact O-N 3.43Å; R26-G29 PolarHBondContact O-N 3.4Å
30M96.2Very high95.9Very high72 Ų7287.9 Ų87.936%0.35544%0.442SS..  trans-99.2134.4-179.1-175.2170.6-68.500111.5C25 R26 H28 K42 Y43C25-M30 CarbonylContact C-O 3.48Å; C25-M30 HydrophobicContact CB-CB 4.19Å; C25-M30 HydrophobicContact CB-CG 4.47Å; C25-M30 VanDerWaalsContact CB-O 3.22Å; C25-M30 WeakPolarHBondContact CB-O 3.4Å; C25-M30 PolarHBondContact O-N 3.28Å; C25-M30 VanDerWaalsContact O-N 3.15Å; R26-M30 PolarHBondContact N-O 2.91Å; R26-M30 VanDerWaalsContact N-O 3.17Å; H28-M30 PolarHBondContact O-N 3.46Å; M30-K42 HydrophobicContact CE-CD 4.43Å; M30-K42 HydrophobicContact SD-CD 4.35Å; M30-Y43 HydrophobicContact CB-CE2 4.31Å; M30-Y43 HydrophobicContact SD-CE2 4.45Å
31V95.3Very high96.1Very high101 Ų10184.6 Ų84.661%0.61242%0.421SS*.  trans-102.7115.4175.2177.80000110.5K21K21-V31 HydrophobicContact CD-CG1 3.63Å; K21-V31 HydrophobicContact CG-CG1 4.39Å
32S96.1Very high96.2Very high17 Ų1786.5 Ų86.512%0.11943%0.43CS..  trans-125.3147.2170.460.30000111K21 C22 C25 H37K21-S32 CarbonylContact C-O 3.54Å; K21-S32 WeakPolarHBondContact CA-O 3.41Å; C22-S32 WeakPolarHBondContact CB-OG 3.45Å; C22-S32 PolarHBondContact N-O 2.82Å; C25-S32 WeakPolarHBondContact CB-OG 3.37Å; C25-S32 PolarHBondContact SG-OG 3.25Å; C25-S32 VanDerWaalsContact SG-OG 3.36Å; S32-H37 PolarHBondContact OG-CD2 2.96Å; S32-H37 PolarHBondContact OG-CE1 3.31Å; S32-H37 PolarHBondContact OG-NE2 2.87Å
33W94.7Very high96.2Very high108 Ų10888.7 Ų88.741%0.40944%0.436SS..BIsolated β-bridgetrans-77.4144.5172.8-58.3105.5000110.2Y10 R19 K21 H37Y10-W33 AromaticContact CE1-CD1 3.7Å; Y10-W33 HydrophobicContact CE1-CG 4.46Å; Y10-W33 AromaticContact CE1-NE1 3.91Å; R19-W33 HydrophobicContact CB-CE3 3.83Å; R19-W33 HydrophobicContact CB-CZ3 3.69Å; R19-W33 WeakPolarHBondContact O-CZ3 3.43Å; K21-W33 HydrophobicContact CD-CZ3 4.37Å; K21-W33 HydrophobicContact CG-CE3 3.85Å; K21-W33 HydrophobicContact CG-CZ3 3.88Å; W33-H37 WeakPolarHBondContact O-CB 3.35Å
34L94.4Very high96.2Very high80 Ų8091.7 Ų91.742%0.41944%0.442SS..SBendtrans-75.5-30.9-171.4-173.361.3000113.6P20 G36 H37P20-L34 HydrophobicContact CB-CB 4.15Å; P20-L34 HydrophobicContact CB-CD2 4.12Å; P20-L34 HydrophobicContact CG-CB 4.21Å; P20-L34 HydrophobicContact CG-CD2 4.42Å; P20-L34 WeakPolarHBondContact O-CB 3.35Å; P20-L34 PolarHBondContact O-N 3.24Å; L34-G36 PolarHBondContact O-N 3.49Å; L34-H37 PolarHBondContact O-N 2.82Å
35K93.3Very high96.1Very high190 Ų19094.6 Ų94.683%0.82646%0.462SS*.THydrogen-bonded Turntrans-63.3120.5-179.6-171.969.8159.672.90110H37K35-H37 PolarHBondContact O-N 2.99Å
36G94.8Very high96.1Very high60 Ų6096.2 Ų96.262%0.61947%0.472SS*.THydrogen-bonded Turntrans79.1-12.9-178.300000115.5L34 H40L34-G36 PolarHBondContact O-N 3.49Å; G36-H40 PolarHBondContact O-ND1 3.07Å
37H96.7Very high96.1Very high30 Ų3093.4 Ų93.414%0.13948%0.475CS..THydrogen-bonded Turntrans-87.9-12.5-170.5-174.673.6000115C25 S32 W33 L34 K35 R39 H40 C41C25-H37 PolarHBondContact SG-NE2 3.44Å; S32-H37 PolarHBondContact OG-CD2 2.96Å; S32-H37 PolarHBondContact OG-CE1 3.31Å; S32-H37 PolarHBondContact OG-NE2 2.87Å; W33-H37 WeakPolarHBondContact O-CB 3.35Å; L34-H37 PolarHBondContact O-N 2.82Å; K35-H37 PolarHBondContact O-N 2.99Å; H37-R39 VanDerWaalsContact C-N 3.25Å; H37-R39 PolarHBondContact O-N 3.05Å; H37-R39 VanDerWaalsContact O-N 3.15Å; H37-H40 PolarHBondContact CE1-O 3.05Å; H37-H40 CarbonylContact O-C 3.52Å; H37-H40 PolarHBondContact O-N 3.19Å; H37-H40 VanDerWaalsContact O-N 3.08Å; H37-C41 PolarHBondContact O-N 2.96Å; H37-C41 VanDerWaalsContact O-N 3.13Å
38K94.5Very high96.2Very high179 Ų17994 Ų9478%0.77848%0.481SS*.THydrogen-bonded Turntrans-55.5-35.3-176.8-173.4176.7-172-74.90113.9
39R95.7Very high96.1Very high219 Ų21997.8 Ų97.883%0.82650%0.502SS*.THydrogen-bonded Turntrans-84.4-35.8176.2-61.7-174.5-173-119.44.9112.2H37 C41H37-R39 VanDerWaalsContact C-N 3.25Å; H37-R39 PolarHBondContact O-N 3.05Å; H37-R39 VanDerWaalsContact O-N 3.15Å; R39-C41 PolarHBondContact O-N 3.48Å
40H96Very high96.2Very high143 Ų143100.1 Ų100.166%0.66249%0.491SS*.SBendtrans-93.522.8-173.7-48.4110.5000114.2G36 H37 K42G36-H40 PolarHBondContact O-ND1 3.07Å; H37-H40 PolarHBondContact CE1-O 3.05Å; H37-H40 CarbonylContact O-C 3.52Å; H37-H40 PolarHBondContact O-N 3.19Å; H37-H40 VanDerWaalsContact O-N 3.08Å; H40-K42 PolarHBondContact O-N 3.14Å
41C97.2Very high96.3Very high13 Ų1396.7 Ų96.79%0.08847%0.474CS..  trans-84.2115.2-177.7-179.20000110.4H37 R39 Y43 K44H37-C41 PolarHBondContact O-N 2.96Å; H37-C41 VanDerWaalsContact O-N 3.13Å; R39-C41 PolarHBondContact O-N 3.48Å; C41-Y43 PolarHBondContact O-N 3.3Å; C41-K44 HydrophobicContact CB-CB 4.14Å; C41-K44 VanDerWaalsContact O-CB 3.25Å; C41-K44 WeakPolarHBondContact O-CB 3.31Å; C41-K44 PolarHBondContact O-N 3.2Å; C41-K44 PolarHBondContact SG-N 3.19Å
42K96.8Very high96.4Very high165 Ų16595.9 Ų95.972%0.71747%0.466SS*.THydrogen-bonded Turntrans-54.6-21.8175.9-63.1-166.7178.3-167.80113.7M30 H40M30-K42 HydrophobicContact CE-CD 4.43Å; M30-K42 HydrophobicContact SD-CD 4.35Å; H40-K42 PolarHBondContact O-N 3.14Å
43Y97.4Very high96.5Very high58 Ų58100.4 Ų100.423%0.22749%0.488CS..THydrogen-bonded Turntrans-115.521.4-179.9-46-79.3000112.6R24 C25 H28 M30 C41 D45 C46R24-Y43 WeakPolarHBondContact CD-O 3.13Å; R24-Y43 PolarHBondContact NH1-O 2.77Å; C25-Y43 HydrophobicContact CB-CD2 4.31Å; H28-Y43 HydrophobicContact CB-CD1 4.11Å; H28-Y43 HydrophobicContact CB-CD2 4.22Å; H28-Y43 HydrophobicContact CB-CE1 3.66Å; H28-Y43 HydrophobicContact CB-CE2 3.79Å; H28-Y43 HydrophobicContact CB-CG 4.36Å; H28-Y43 VanDerWaalsContact CB-CZ 3.49Å; H28-Y43 AromaticContact CD2-CD1 3.42Å; H28-Y43 VanDerWaalsContact CD2-CD1 3.42Å; H28-Y43 WeakPolarHBondContact CD2-CD1 3.34Å; H28-Y43 AromaticContact CD2-CD2 3.89Å; H28-Y43 AromaticContact CD2-CE1 3.91Å; H28-Y43 AromaticContact CD2-CG 3.4Å; H28-Y43 VanDerWaalsContact CD2-CG 3.4Å; H28-Y43 AromaticContact CG-CD1 3.6Å; H28-Y43 AromaticContact CG-CE1 3.6Å; H28-Y43 AromaticContact CG-CG 3.95Å; H28-Y43 AromaticContact CG-CZ 3.95Å; H28-Y43 AromaticContact ND1-CD1 3.98Å; H28-Y43 AromaticContact ND1-CE1 3.98Å; H28-Y43 AromaticContact NE2-CD1 3.75Å; H28-Y43 AromaticContact NE2-CG 3.95Å; M30-Y43 HydrophobicContact CB-CE2 4.31Å; M30-Y43 HydrophobicContact SD-CE2 4.45Å; C41-Y43 PolarHBondContact O-N 3.3Å; Y43-D45 PolarHBondContact O-N 2.88Å; Y43-C46 WeakPolarHBondContact O-CB 3.48Å; Y43-C46 PolarHBondContact O-N 3.24Å; Y43-C46 VanDerWaalsContact O-N 3.14Å
44K95.8Very high96.6Very high101 Ų10196.1 Ų96.144%0.43947%0.474SS..THydrogen-bonded Turntrans-45.2-48.7179.8174.9-173.4157.9-72.70111.3R24 C41R24-K44 PolarHBondContact NE-O 2.69Å; R24-K44 PolarHBondContact NH1-O 2.98Å; C41-K44 HydrophobicContact CB-CB 4.14Å; C41-K44 VanDerWaalsContact O-CB 3.25Å; C41-K44 WeakPolarHBondContact O-CB 3.31Å; C41-K44 PolarHBondContact O-N 3.2Å; C41-K44 PolarHBondContact SG-N 3.19Å
45D96.2Very high96.7Very high113 Ų11394.1 Ų94.160%0.60447%0.468SS*.THydrogen-bonded Turntrans-110.219.7-173.5-52.9-62000112.5Y43 T47Y43-D45 PolarHBondContact O-N 2.88Å; D45-T47 PolarHBondContact O-N 2.93Å
46C97.6Very high96.9Very high33 Ų3389.3 Ų89.322%0.22345%0.449CS..  trans-68.8131.5175.4-174.80000111.3R24 H28 Y43 C51R24-C46 PolarHBondContact NH1-O 3.39Å; H28-C46 PolarHBondContact CE1-SG 3.02Å; H28-C46 PolarHBondContact NE2-SG 3.14Å; H28-C46 VanDerWaalsContact NE2-SG 3.43Å; Y43-C46 WeakPolarHBondContact O-CB 3.48Å; Y43-C46 PolarHBondContact O-N 3.24Å; Y43-C46 VanDerWaalsContact O-N 3.14Å; C46-C51 WeakPolarHBondContact O-CB 3.39Å
47T97.6Very high97Very high114 Ų11494.9 Ų94.970%0.69945%0.451SS*.  trans-10611.1-174.350.50000113.9D45 N52D45-T47 PolarHBondContact O-N 2.93Å; T47-N52 WeakPolarHBondContact CA-OD1 3.2Å; T47-N52 PolarHBondContact O-ND2 3.21Å; T47-N52 PolarHBondContact O-OD1 3.11Å
48C98.3Very high97.1Very high44 Ų4498.9 Ų98.930%0.29747%0.47SS..SBendtrans-66.7155.4178.5790000111.6K50 C51 N52C48-K50 VanDerWaalsContact C-N 3.28Å; C48-K50 PolarHBondContact O-N 2.95Å; C48-K50 VanDerWaalsContact O-N 3.13Å; C48-C51 WeakPolarHBondContact O-CA 3.31Å; C48-C51 PolarHBondContact O-N 2.82Å; C48-N52 PolarHBondContact O-N 3.16Å
49I97.6Very high97.2Very high140 Ų14097.6 Ų97.672%0.71846%0.46SS*.Hα-helixtrans-46.3-49.7-177-57.6170.7000111.9C51 N52 L53I49-C51 VanDerWaalsContact C-N 3.26Å; I49-C51 PolarHBondContact O-N 3.38Å; I49-N52 PolarHBondContact O-N 3.27Å; I49-L53 HydrophobicContact CG2-CD1 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.89Å
50K97.9Very high97.4Very high123 Ų12391.4 Ų91.454%0.53545%0.446SS..Hα-helixtrans-58.6-33.2179-67.5-175-77.1179.90113.5N27 C48N27-K50 HydrophobicContact CB-CB 4.11Å; N27-K50 PolarHBondContact ND2-O 3.14Å; N27-K50 PolarHBondContact O-NZ 3.06Å; C48-K50 VanDerWaalsContact C-N 3.28Å; C48-K50 PolarHBondContact O-N 2.95Å; C48-K50 VanDerWaalsContact O-N 3.13Å
51C98Very high97.5Very high0 Ų089.5 Ų89.50%044%0.439CS..Hα-helixtrans-86.2-30.5179.2-75.50000112.7H28 C46 C48 I49 L53 I54 A55H28-C51 PolarHBondContact NE2-SG 3.02Å; H28-C51 VanDerWaalsContact NE2-SG 3.43Å; C46-C51 WeakPolarHBondContact O-CB 3.39Å; C48-C51 WeakPolarHBondContact O-CA 3.31Å; C48-C51 PolarHBondContact O-N 2.82Å; I49-C51 VanDerWaalsContact C-N 3.26Å; I49-C51 PolarHBondContact O-N 3.38Å; C51-L53 VanDerWaalsContact C-N 3.34Å; C51-I54 WeakPolarHBondContact O-CB 3.45Å; C51-I54 PolarHBondContact O-N 2.77Å; C51-I54 VanDerWaalsContact O-N 3.13Å; C51-A55 PolarHBondContact O-N 3.23Å; C51-A55 VanDerWaalsContact O-N 3.17Å
52N98Very high97.5Very high83 Ų8391.8 Ų91.844%0.44446%0.459SS..Hα-helixtrans-64.8-40.1171-61.7-11.4000110.7T47 C48 I49 I54 A55 E56T47-N52 WeakPolarHBondContact CA-OD1 3.2Å; T47-N52 PolarHBondContact O-ND2 3.21Å; T47-N52 PolarHBondContact O-OD1 3.11Å; C48-N52 PolarHBondContact O-N 3.16Å; I49-N52 PolarHBondContact O-N 3.27Å; N52-I54 PolarHBondContact O-N 3.15Å; N52-A55 WeakPolarHBondContact O-CB 3.44Å; N52-A55 PolarHBondContact O-N 3.04Å; N52-E56 PolarHBondContact O-N 3.35Å
53L97.3Very high97.6Very high112 Ų11286.9 Ų86.959%0.58645%0.449SS*.Hα-helixtrans-61.4-23.9172-68.2172.5000113.9I49 C51 R57I49-L53 HydrophobicContact CG2-CD1 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.89Å; C51-L53 VanDerWaalsContact C-N 3.34Å; L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 PolarHBondContact O-N 2.93Å
54I97Very high97.7Very high19 Ų1990.5 Ų90.510%0.09747%0.468CS..Hα-helixtrans-75.2-43.5170.4-67.8170.6000110.4A23 R24 N27 C51 N52 E56 R57 Q58A23-I54 VanDerWaalsContact C-CD1 3.46Å; A23-I54 HydrophobicContact CB-CD1 3.6Å; A23-I54 HydrophobicContact CB-CG1 4.28Å; A23-I54 HydrophobicContact CB-CG2 4.42Å; A23-I54 WeakPolarHBondContact O-CD1 3.49Å; R24-I54 HydrophobicContact CG-CD1 4.2Å; N27-I54 WeakPolarHBondContact ND2-CD1 3.28Å; C51-I54 WeakPolarHBondContact O-CB 3.45Å; C51-I54 PolarHBondContact O-N 2.77Å; C51-I54 VanDerWaalsContact O-N 3.13Å; N52-I54 PolarHBondContact O-N 3.15Å; I54-E56 VanDerWaalsContact C-N 3.33Å; I54-R57 PolarHBondContact O-N 2.89Å; I54-Q58 HydrophobicContact CG2-CG 4.38Å; I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 VanDerWaalsContact O-CG 3.26Å; I54-Q58 WeakPolarHBondContact O-CG 3.12Å; I54-Q58 PolarHBondContact O-N 2.77Å
55A96.7Very high97.8Very high37 Ų3789 Ų8931%0.30647%0.468SS..Hα-helixtrans-61.9-42.6177.500000111.3C51 N52 Q58 R59C51-A55 PolarHBondContact O-N 3.23Å; C51-A55 VanDerWaalsContact O-N 3.17Å; N52-A55 WeakPolarHBondContact O-CB 3.44Å; N52-A55 PolarHBondContact O-N 3.04Å; A55-Q58 PolarHBondContact O-N 2.88Å; A55-R59 PolarHBondContact O-N 2.87Å
56E97.7Very high97.9Very high89 Ų8987.3 Ų87.342%0.41646%0.464SS..Hα-helixtrans-61.2-52.8176.5-166.254.9-105.100111.8N52 I54 Q58 R59 V60N52-E56 PolarHBondContact O-N 3.35Å; I54-E56 VanDerWaalsContact C-N 3.33Å; E56-Q58 PolarHBondContact O-N 2.97Å; E56-R59 WeakPolarHBondContact O-CB 3.46Å; E56-R59 PolarHBondContact O-N 3.14Å; E56-R59 IonicContact OE1-CZ 3.78Å; E56-R59 IonicContact OE1-NH1 2.66Å; E56-R59 PolarHBondContact OE1-NH1 3.37Å; E56-R59 IonicContact OE2-CZ 3.95Å; E56-R59 IonicContact OE2-NH1 3.85Å; E56-R59 PolarHBondContact OE2-NH1 3.42Å; E56-V60 PolarHBondContact O-N 3.37Å
57R98Very high97.9Very high178 Ų17891.1 Ų91.167%0.67248%0.482SS*.Hα-helixtrans-54.5-38.6174.5-177.9-177.6-64.4-102.9-2.3112L53 I54 M61L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 PolarHBondContact O-N 2.93Å; I54-R57 PolarHBondContact O-N 2.89Å; R57-M61 HydrophobicContact CG-CG 4.36Å; R57-M61 HydrophobicContact CG-SD 3.87Å; R57-M61 VanDerWaalsContact O-CB 3.29Å; R57-M61 WeakPolarHBondContact O-CB 3.42Å; R57-M61 WeakPolarHBondContact O-CG 3.35Å; R57-M61 PolarHBondContact O-N 3.04Å
58Q97.2Very high97.9Very high114 Ų11493.6 Ų93.653%0.53348%0.483SS..Hα-helixtrans-69.6-34.8177.9-76.6176.5-17.600112.7I54 A55 E56 A62I54-Q58 HydrophobicContact CG2-CG 4.38Å; I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 VanDerWaalsContact O-CG 3.26Å; I54-Q58 WeakPolarHBondContact O-CG 3.12Å; I54-Q58 PolarHBondContact O-N 2.77Å; A55-Q58 PolarHBondContact O-N 2.88Å; E56-Q58 PolarHBondContact O-N 2.97Å; Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.44Å; Q58-A62 PolarHBondContact O-N 3.27Å
59R98.3Very high97.9Very high152 Ų152100.1 Ų100.157%0.57450%0.501SS*.Hα-helixtrans-64.6-51.3172.5-169.3-169.9-66.5102.4-11.9111.2A55 E56 M61 A62 A63A55-R59 PolarHBondContact O-N 2.87Å; E56-R59 WeakPolarHBondContact O-CB 3.46Å; E56-R59 PolarHBondContact O-N 3.14Å; E56-R59 IonicContact OE1-CZ 3.78Å; E56-R59 IonicContact OE1-NH1 2.66Å; E56-R59 PolarHBondContact OE1-NH1 3.37Å; E56-R59 IonicContact OE2-CZ 3.95Å; E56-R59 IonicContact OE2-NH1 3.85Å; E56-R59 PolarHBondContact OE2-NH1 3.42Å; R59-M61 PolarHBondContact O-N 2.95Å; R59-A62 PolarHBondContact O-N 3.2Å; R59-A62 VanDerWaalsContact O-N 3.15Å; R59-A63 PolarHBondContact O-N 2.83Å
60V98Very high97.9Very high88 Ų8898.4 Ų98.453%0.53349%0.49SS..Hα-helixtrans-60.9-45.2179.1177.50000111.2E56 A62 A63 Q64E56-V60 PolarHBondContact O-N 3.37Å; V60-A62 VanDerWaalsContact C-N 3.33Å; V60-A62 PolarHBondContact O-N 3.28Å; V60-A63 PolarHBondContact O-N 3.21Å; V60-Q64 WeakPolarHBondContact O-CB 3.42Å; V60-Q64 PolarHBondContact O-N 2.94Å
61M98.3Very high97.8Very high103 Ų10395.3 Ų95.351%0.50748%0.478SS..Hα-helixtrans-63.8-35.7175.4-73.117971.100112.8R57 R59 V65R57-M61 HydrophobicContact CG-CG 4.36Å; R57-M61 HydrophobicContact CG-SD 3.87Å; R57-M61 VanDerWaalsContact O-CB 3.29Å; R57-M61 WeakPolarHBondContact O-CB 3.42Å; R57-M61 WeakPolarHBondContact O-CG 3.35Å; R57-M61 PolarHBondContact O-N 3.04Å; R59-M61 PolarHBondContact O-N 2.95Å; M61-V65 WeakPolarHBondContact O-CB 3.24Å; M61-V65 VanDerWaalsContact O-CG2 3.24Å; M61-V65 WeakPolarHBondContact O-CG2 3.44Å; M61-V65 PolarHBondContact O-N 2.9Å
62A98.4Very high97.6Very high61 Ų6198.1 Ų98.150%0.50450%0.501SS..Hα-helixtrans-66.6-44.817600000111.6Q58 R59 V60 V65 S66Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.44Å; Q58-A62 PolarHBondContact O-N 3.27Å; R59-A62 PolarHBondContact O-N 3.2Å; R59-A62 VanDerWaalsContact O-N 3.15Å; V60-A62 VanDerWaalsContact C-N 3.33Å; V60-A62 PolarHBondContact O-N 3.28Å; A62-V65 PolarHBondContact O-N 3.21Å; A62-S66 WeakPolarHBondContact O-CB 3.29Å; A62-S66 PolarHBondContact O-N 3.43Å
63A98.4Very high97.5Very high63 Ų6396.5 Ų96.552%0.52150%0.499SS..Hα-helixtrans-60.3-47.2174.900000111.8R59 V60 V65 S66 L67R59-A63 PolarHBondContact O-N 2.83Å; V60-A63 PolarHBondContact O-N 3.21Å; A63-V65 PolarHBondContact O-N 3.18Å; A63-S66 WeakPolarHBondContact O-CB 3.04Å; A63-S66 PolarHBondContact O-N 3.15Å; A63-S66 VanDerWaalsContact O-N 3.14Å; A63-L67 PolarHBondContact O-N 3.37Å
64Q98.4Very high97.4Very high134 Ų13494.4 Ų94.463%0.62649%0.486SS*.Hα-helixtrans-61.5-40.8177.5-170.5-175.617.600112.7V60 S66 K68V60-Q64 WeakPolarHBondContact O-CB 3.42Å; V60-Q64 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact C-N 3.35Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 3.01Å
65V98.5Very high97.2Very high70 Ų7096.1 Ų96.142%0.42450%0.496SS..Hα-helixtrans-69.9-32.5175.5168.70000111.5M61 A62 A63 R69M61-V65 WeakPolarHBondContact O-CB 3.24Å; M61-V65 VanDerWaalsContact O-CG2 3.24Å; M61-V65 WeakPolarHBondContact O-CG2 3.44Å; M61-V65 PolarHBondContact O-N 2.9Å; A62-V65 PolarHBondContact O-N 3.21Å; A63-V65 PolarHBondContact O-N 3.18Å; V65-R69 WeakPolarHBondContact O-CB 3.41Å; V65-R69 WeakPolarHBondContact O-CD 3.26Å; V65-R69 WeakPolarHBondContact O-CG 3.19Å; V65-R69 PolarHBondContact O-N 2.96Å; V65-R69 VanDerWaalsContact O-N 3.15Å
66S97.9Very high96.9Very high76 Ų7697.3 Ų97.353%0.53151%0.506SS..Hα-helixtrans-66.1-52.5173.8-157.90000111A62 A63 Q64 K68 R69 Q70A62-S66 WeakPolarHBondContact O-CB 3.29Å; A62-S66 PolarHBondContact O-N 3.43Å; A63-S66 WeakPolarHBondContact O-CB 3.04Å; A63-S66 PolarHBondContact O-N 3.15Å; A63-S66 VanDerWaalsContact O-N 3.14Å; Q64-S66 VanDerWaalsContact C-N 3.35Å; S66-K68 VanDerWaalsContact C-N 3.35Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-R69 WeakPolarHBondContact O-CB 3.15Å; S66-R69 PolarHBondContact O-N 3.35Å; S66-Q70 PolarHBondContact O-N 2.94Å
67L97.9Very high96.6Very high114 Ų11498.4 Ų98.460%0.59751%0.513SS*.Hα-helixtrans-58-44.3178.4-176.965.6000111.9A63 R69 Q70 Q71A63-L67 PolarHBondContact O-N 3.37Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 2.97Å; L67-Q70 WeakPolarHBondContact O-CB 3.37Å; L67-Q70 PolarHBondContact O-N 3.46Å; L67-Q71 PolarHBondContact O-N 3.01Å
68K97.9Very high96.3Very high165 Ų16591.3 Ų91.372%0.71749%0.493SS*.Hα-helixtrans-66.8-27.1177.3-175.6162.1-176.4165.90113.4Q64 S66 A72Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 3.01Å; S66-K68 VanDerWaalsContact C-N 3.35Å; S66-K68 PolarHBondContact O-N 2.96Å; K68-A72 WeakPolarHBondContact O-CB 3.46Å; K68-A72 PolarHBondContact O-N 2.98Å
69R98.2Very high95.8Very high182 Ų18288.2 Ų88.269%0.68748%0.48SS*.Hα-helixtrans-77.2-36.2172.9-75.7169176.2-167.6-3.1112.3V65 S66 L67 A72 A73V65-R69 WeakPolarHBondContact O-CB 3.41Å; V65-R69 WeakPolarHBondContact O-CD 3.26Å; V65-R69 WeakPolarHBondContact O-CG 3.19Å; V65-R69 PolarHBondContact O-N 2.96Å; V65-R69 VanDerWaalsContact O-N 3.15Å; S66-R69 WeakPolarHBondContact O-CB 3.15Å; S66-R69 PolarHBondContact O-N 3.35Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 2.97Å; R69-A72 PolarHBondContact O-N 3.49Å; R69-A73 PolarHBondContact O-N 3.08Å
70Q97.1Very high95.2Very high104 Ų10482.5 Ų82.549%0.48647%0.468SS..Hα-helixtrans-61.2-53.8172.6175.5176.1-8.800110.2S66 L67 A72 A73 E74S66-Q70 PolarHBondContact O-N 2.94Å; L67-Q70 WeakPolarHBondContact O-CB 3.37Å; L67-Q70 PolarHBondContact O-N 3.46Å; Q70-A72 VanDerWaalsContact C-N 3.31Å; Q70-A72 PolarHBondContact O-N 3.38Å; Q70-A73 WeakPolarHBondContact O-CA 3.22Å; Q70-A73 WeakPolarHBondContact O-CB 3.42Å; Q70-A73 PolarHBondContact O-N 3.13Å; Q70-E74 HydrophobicContact CG-CG 4.39Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.49Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 WeakPolarHBondContact O-CG 3.25Å; Q70-E74 PolarHBondContact O-N 3.2Å
71Q95.8Very high94.7Very high57 Ų5783.3 Ų83.327%0.26647%0.469SS..Hα-helixtrans-54.3-46.9175.7-171.169.661.700111.4L67 A73 E74 D75L67-Q71 PolarHBondContact O-N 3.01Å; Q71-A73 PolarHBondContact O-N 3.15Å; Q71-E74 PolarHBondContact O-N 3.38Å; Q71-D75 PolarHBondContact NE2-OD1 3.15Å; Q71-D75 VanDerWaalsContact O-CB 3.31Å; Q71-D75 WeakPolarHBondContact O-CB 3.33Å; Q71-D75 PolarHBondContact O-N 3.49Å
72A95.3Very high94Very high59 Ų5983.2 Ų83.249%0.48846%0.462SS..Hα-helixtrans-65.5-20.9178.800000114.4K68 R69 Q70 A76K68-A72 WeakPolarHBondContact O-CB 3.46Å; K68-A72 PolarHBondContact O-N 2.98Å; R69-A72 PolarHBondContact O-N 3.49Å; Q70-A72 VanDerWaalsContact C-N 3.31Å; Q70-A72 PolarHBondContact O-N 3.38Å; A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3.26Å
73A95.5Very high93.2Very high50 Ų5084.2 Ų84.241%0.41346%0.463SS..Hα-helixtrans-84.3-41.4172.200000111.4R69 Q70 Q71 A76 I77R69-A73 PolarHBondContact O-N 3.08Å; Q70-A73 WeakPolarHBondContact O-CA 3.22Å; Q70-A73 WeakPolarHBondContact O-CB 3.42Å; Q70-A73 PolarHBondContact O-N 3.13Å; Q71-A73 PolarHBondContact O-N 3.15Å; A73-A76 PolarHBondContact O-N 3.43Å; A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.88Å
74E94.6Very high92.4Very high67 Ų6787 Ų8731%0.31347%0.473SS..Hα-helixtrans-62.2-44.8173.9-70.1169.2-176.900111.2Q70 Q71 A76 I77 A78Q70-E74 HydrophobicContact CG-CG 4.39Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.49Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 WeakPolarHBondContact O-CG 3.25Å; Q70-E74 PolarHBondContact O-N 3.2Å; Q71-E74 PolarHBondContact O-N 3.38Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 3.35Å; E74-I77 PolarHBondContact O-N 3.36Å; E74-A78 WeakPolarHBondContact O-CB 3.13Å; E74-A78 PolarHBondContact O-N 2.94Å
75D93.2Very high91.3Very high56 Ų5684.8 Ų84.830%0.29947%0.469SS..Hα-helixtrans-59.2-40.9174-65.4-16.3000111.5Q71 L79 L94Q71-D75 PolarHBondContact NE2-OD1 3.15Å; Q71-D75 VanDerWaalsContact O-CB 3.31Å; Q71-D75 WeakPolarHBondContact O-CB 3.33Å; Q71-D75 PolarHBondContact O-N 3.49Å; D75-L79 VanDerWaalsContact O-CB 3.28Å; D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.17Å; D75-L94 HydrophobicContact CB-CD1 3.97Å
76A90.8Very high89.9Confident62 Ų6283.8 Ų83.851%0.51247%0.472SS..Hα-helixtrans-69.9-37.8178.200000112.2A72 A73 E74 G80A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3.26Å; A73-A76 PolarHBondContact O-N 3.43Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 3.35Å; A76-G80 PolarHBondContact O-N 3.41Å
77I91.5Very high88.2Confident111 Ų11186.2 Ų86.257%0.56948%0.475SS*.Hα-helixtrans-67.8-45.3174.2-69.2161.2000110.4A73 E74 L79 G80 L81A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.88Å; E74-I77 PolarHBondContact O-N 3.36Å; I77-L79 PolarHBondContact O-N 3.2Å; I77-G80 PolarHBondContact O-N 3.29Å; I77-L81 HydrophobicContact CG2-CD1 3.89Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 WeakPolarHBondContact O-CG 3.39Å; I77-L81 PolarHBondContact O-N 3.16Å
78A90.2Very high86.3Confident30 Ų3081.8 Ų81.825%0.24845%0.453CS..Hα-helixtrans-63.2-41177.800000112.1E74 R82 L94E74-A78 WeakPolarHBondContact O-CB 3.13Å; E74-A78 PolarHBondContact O-N 2.94Å; A78-R82 WeakPolarHBondContact O-CB 3.44Å; A78-R82 PolarHBondContact O-N 3.47Å; A78-L94 HydrophobicContact CB-CD1 4.03Å
79L86.7Confident84.3Confident49 Ų4980.8 Ų80.826%0.25746%0.461SS..Hα-helixtrans-64.8-43.2173.4-172.864.2000111.5D75 I77 R82 T83 L94D75-L79 VanDerWaalsContact O-CB 3.28Å; D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.17Å; I77-L79 PolarHBondContact O-N 3.2Å; L79-R82 PolarHBondContact O-N 3.32Å; L79-T83 WeakPolarHBondContact O-CG2 3.42Å; L79-T83 PolarHBondContact O-N 3.02Å; L79-T83 PolarHBondContact O-OG1 3.22Å; L79-L94 HydrophobicContact CB-CD2 4.43Å; L79-L94 HydrophobicContact CD1-CD2 4.24Å
80G87.6Confident82.6Confident31 Ų3175.3 Ų75.332%0.3246%0.461SS..Hα-helixtrans-61.1-48.3175.900000112.9A76 I77 R82 T83 V84A76-G80 PolarHBondContact O-N 3.41Å; I77-G80 PolarHBondContact O-N 3.29Å; G80-R82 VanDerWaalsContact C-N 3.3Å; G80-R82 PolarHBondContact O-N 3.26Å; G80-T83 WeakPolarHBondContact CA-OG1 3.28Å; G80-T83 PolarHBondContact O-N 3.17Å; G80-T83 VanDerWaalsContact O-N 3.13Å; G80-T83 PolarHBondContact O-OG1 3.03Å; G80-V84 PolarHBondContact O-N 3.24Å
81L86.7Confident81Confident106 Ų10676.1 Ų76.156%0.55547%0.466SS*.Hα-helixtrans-55.6-45.2174-76.7169000111.5I77 T83 V84 T85I77-L81 HydrophobicContact CG2-CD1 3.89Å; I77-L81 HydrophobicContact CG2-CG 4.36Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 WeakPolarHBondContact O-CG 3.39Å; I77-L81 PolarHBondContact O-N 3.16Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 3.49Å; L81-V84 WeakPolarHBondContact O-CG2 3.25Å; L81-V84 PolarHBondContact O-N 2.89Å; L81-V84 VanDerWaalsContact O-N 3.15Å; L81-T85 PolarHBondContact O-N 2.66Å; L81-T85 VanDerWaalsContact O-N 3.13Å
82R83Confident79.7Confident100 Ų10079 Ų7938%0.37749%0.489SS..Hα-helixtrans-69.9-25.9179.9-154.8170.8178.6-127.3-13.4113.7A78 L79 G80 T85 E87 T88A78-R82 WeakPolarHBondContact O-CB 3.44Å; A78-R82 PolarHBondContact O-N 3.47Å; L79-R82 PolarHBondContact O-N 3.32Å; G80-R82 VanDerWaalsContact C-N 3.3Å; G80-R82 PolarHBondContact O-N 3.26Å; R82-T85 PolarHBondContact O-OG1 3.38Å; R82-E87 HydrophobicContact CG-CB 3.91Å; R82-E87 IonicContact NE-OE2 3.14Å; R82-E87 PolarHBondContact NE-OE2 3.31Å; R82-E87 VanDerWaalsContact NE-OE2 3.14Å; R82-E87 IonicContact NH2-OE2 2.59Å; R82-E87 PolarHBondContact O-N 2.85Å; R82-T88 HydrophobicContact CB-CG2 4.26Å; R82-T88 HydrophobicContact CG-CG2 3.69Å; R82-T88 VanDerWaalsContact NH1-CG2 3.3Å; R82-T88 PolarHBondContact O-OG1 3.41Å; R82-T88 VanDerWaalsContact O-OG1 3.05Å
83T82.5Confident78.4Confident83 Ų8380.3 Ų80.351%0.50950%0.495SS..Hα-helixtrans-71.9-30.717054.30000113.7L79 G80 L81 T88L79-T83 WeakPolarHBondContact O-CG2 3.42Å; L79-T83 PolarHBondContact O-N 3.02Å; L79-T83 PolarHBondContact O-OG1 3.22Å; G80-T83 WeakPolarHBondContact CA-OG1 3.28Å; G80-T83 PolarHBondContact O-N 3.17Å; G80-T83 VanDerWaalsContact O-N 3.13Å; G80-T83 PolarHBondContact O-OG1 3.03Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 3.49Å; T83-T88 PolarHBondContact N-OG1 2.93Å
84V80.2Confident76.9Confident121 Ų12179.7 Ų79.773%0.73348%0.484SS*.Hα-helixtrans-83.3-21.7177.2-60.30000113.8G80 L81 G86G80-V84 PolarHBondContact O-N 3.24Å; L81-V84 WeakPolarHBondContact O-CG2 3.25Å; L81-V84 PolarHBondContact O-N 2.89Å; L81-V84 VanDerWaalsContact O-N 3.15Å; V84-G86 PolarHBondContact O-N 3.2Å
85T77.1Confident75.5Confident88 Ų8881.3 Ų81.354%0.5450%0.5SS..THydrogen-bonded Turntrans-77-5.6169.258.50000113.5L81 R82 E87L81-T85 PolarHBondContact O-N 2.66Å; L81-T85 VanDerWaalsContact O-N 3.13Å; R82-T85 PolarHBondContact O-OG1 3.38Å; T85-E87 PolarHBondContact O-N 2.69Å
86G68.7Low73.9Confident48 Ų4885.4 Ų85.450%0.49553%0.53SS..THydrogen-bonded Turntrans77.9-6.1-179.500000115.1V84 T88V84-G86 PolarHBondContact O-N 3.2Å; G86-T88 VanDerWaalsContact C-N 3.25Å; G86-T88 PolarHBondContact O-N 2.95Å
87E61.8Low72.8Confident127 Ų12784.8 Ų84.859%0.59353%0.53SS*.THydrogen-bonded Turntrans-70.5-13.8-175-64.7-178.717600114.7R82 T85R82-E87 HydrophobicContact CG-CB 3.91Å; R82-E87 IonicContact NE-OE2 3.14Å; R82-E87 PolarHBondContact NE-OE2 3.31Å; R82-E87 VanDerWaalsContact NE-OE2 3.14Å; R82-E87 IonicContact NH2-OE2 2.59Å; R82-E87 PolarHBondContact O-N 2.85Å; T85-E87 PolarHBondContact O-N 2.69Å
88T57.8Low71.7Confident21 Ų2184.8 Ų84.813%0.12954%0.537CS..THydrogen-bonded Turntrans-117.356.6178.543.50000113.7R82 T83 G86 G90 M91R82-T88 HydrophobicContact CB-CG2 4.26Å; R82-T88 HydrophobicContact CG-CG2 3.69Å; R82-T88 VanDerWaalsContact NH1-CG2 3.3Å; R82-T88 PolarHBondContact O-OG1 3.41Å; R82-T88 VanDerWaalsContact O-OG1 3.05Å; T83-T88 PolarHBondContact N-OG1 2.93Å; G86-T88 VanDerWaalsContact C-N 3.25Å; G86-T88 PolarHBondContact O-N 2.95Å; T88-G90 PolarHBondContact O-N 3.35Å; T88-M91 HydrophobicContact CG2-CB 4.4Å
89T55.9Low70.2Confident144 Ų14486.8 Ų86.888%0.88355%0.546SS*.SBendtrans-6884156.3-58.20000109.6
90G63.2Low68.9Low67 Ų6792.3 Ų92.369%0.69156%0.563SS**SBendtrans123.51.8163.300000119.2T88T88-G90 PolarHBondContact O-N 3.35Å
91M63.8Low66.9Low122 Ų12293.2 Ų93.260%0.60157%0.573SS**  trans-109.2109.6-179.1-73.5-59.6-6400113T88 C93T88-M91 HydrophobicContact CG2-CB 4.4Å; M91-C93 VanDerWaalsContact C-N 3.32Å; M91-C93 PolarHBondContact O-N 3.35Å
92P66.9Low65Low116 Ų11693.9 Ų93.975%0.75359%0.587SS**  trans-87.710.5-175.536.4-37.9000114.5
93C68Low63.1Low88 Ų8897 Ų9760%0.59560%0.603SS**SBendtrans-150.5143.6-176.3-166.40000110.3M91M91-C93 VanDerWaalsContact C-N 3.32Å; M91-C93 PolarHBondContact O-N 3.35Å
94L64.3Low61.2Low36 Ų3696.3 Ų96.319%0.18860%0.602CS.*  trans-75.4144.9169.2-61.4-179.4000110D75 A78 L79 V99D75-L94 HydrophobicContact CB-CD1 3.97Å; A78-L94 HydrophobicContact CB-CD1 4.03Å; L79-L94 HydrophobicContact CB-CD2 4.43Å; L79-L94 HydrophobicContact CD1-CD2 4.24Å; L94-V99 HydrophobicContact CD1-CG2 4.38Å
95P66.3Low59.9Low101 Ų10197.4 Ų97.466%0.65660%0.602SS**  trans-65.4137.4176.927.9-34.2000110.6G97P95-G97 PolarHBondContact O-N 2.59Å
96P60.2Low58.6Low143 Ų14398 Ų9893%0.92961%0.611SS**SBendtrans-71.2100.4-179.828.2-34.2000111.2
97G67.3Low57.6Low49 Ų49104.1 Ų104.151%0.50563%0.626SS.*SBendtrans-174-178.4175.700000110.4P95 V99P95-G97 PolarHBondContact O-N 2.59Å; G97-V99 PolarHBondContact O-N 3.42Å
98P66.9Low56.8Low110 Ų110105.8 Ų105.871%0.71464%0.636SS**  trans-62.8108.6171.7-19.232.7000110W100P98-W100 CarbonylContact O-C 3.57Å; P98-W100 PolarHBondContact O-N 2.93Å
99V59.9Low56.2Low73 Ų73110.1 Ų110.144%0.44266%0.662SS.*SBendtrans-64.2-30.8175.2-176.20000110.1L94 G97 G101L94-V99 HydrophobicContact CD1-CG2 4.38Å; G97-V99 PolarHBondContact O-N 3.42Å; V99-G101 PolarHBondContact O-N 2.98Å
100W59.3Low55.6Low164 Ų164110.9 Ų110.962%0.62166%0.661SS**SBendtrans-7282.4161.2-37-69.8000109.2P98P98-W100 CarbonylContact O-C 3.57Å; P98-W100 PolarHBondContact O-N 2.93Å
101G45.4Very low54.9Low50 Ų50113.3 Ų113.352%0.51567%0.667SS.*  trans-54.5152.8161.500000110.2V99 F103V99-G101 PolarHBondContact O-N 2.98Å; G101-F103 VanDerWaalsContact C-N 3.34Å; G101-F103 PolarHBondContact O-N 3.43Å
102S45.7Very low53.5Low121 Ų121115.1 Ų115.185%0.84668%0.679SS**  trans-62.888.3-175.5177.60000111.9S104S102-S104 PolarHBondContact O-N 3.19Å; S102-S104 VanDerWaalsContact O-N 3.16Å
103F44Very low52.1Low166 Ų166113 Ų11373%0.72868%0.679SS**  trans-67.8112171.261.9-88.5000108.8G101 L105G101-F103 VanDerWaalsContact C-N 3.34Å; G101-F103 PolarHBondContact O-N 3.43Å; F103-L105 PolarHBondContact O-N 3.43Å
104S43.5Very low50.9Low68 Ų68115.2 Ų115.248%0.47669%0.689SS.*  trans-65.2122172.3-70.60000108.5S102 S106 E107S102-S104 PolarHBondContact O-N 3.19Å; S102-S104 VanDerWaalsContact O-N 3.16Å; S104-S106 PolarHBondContact O-N 3.25Å; S104-E107 PolarHBondContact O-N 3.14Å; S104-E107 VanDerWaalsContact O-N 3.11Å
105L52.1Low49.8Very low143 Ų143119.6 Ų119.675%0.74972%0.718SS**G310 helixtrans-57.8-13.4179.6-169.461.8000113.1F103F103-L105 PolarHBondContact O-N 3.43Å
106S48.8Very low48.4Very low102 Ų102120.2 Ų120.271%0.71373%0.731SS**G310 helixtrans-71.4-20.7176-52.80000115.6S104S104-S106 PolarHBondContact O-N 3.25Å
107E47.9Very low47.3Very low176 Ų176116.9 Ų116.982%0.82272%0.723SS**G310 helixtrans-93.87.1-174.6-68.6-174.7130.500114.4S104S104-E107 PolarHBondContact O-N 3.14Å; S104-E107 VanDerWaalsContact O-N 3.11Å
108M45.3Very low46.1Very low161 Ų161122.9 Ų122.979%0.79374%0.736SS**G310 helixtrans-114.924.4175.2-157.9165.2-76.700113
109V46.6Very low44.8Very low113 Ų113126.9 Ų126.969%0.68574%0.736SS**  trans-123.849179.9-165.50000111.4
110D42.3Very low43.9Very low160 Ų160129.2 Ų129.286%0.85675%0.746SS**SBendtrans-140.122.9169.2-98.4-44.1000112.5
111S47.9Very low42.7Very low117 Ų117129.2 Ų129.282%0.81875%0.753SS**SBendtrans-151.948.5178-72.90000112.8
112N34.5Very low42.8Very low160 Ų160133.7 Ų133.786%0.85677%0.765SS**  trans-148.3111.8173.2-107.3-41.5000109.4
113G38.5Very low42.3Very low72 Ų72135.9 Ų135.974%0.74277%0.767SS**  trans177.523.4-173.700000123.1
114T42Very low42.4Very low134 Ų134136 Ų13682%0.82277%0.767SS**SBendtrans-152.2141160.1-1.40000116.5
115T42Very low41.9Very low129 Ų129138.3 Ų138.379%0.79178%0.78SS**  trans51.198.4160.9530000119.1
116A36.6Very low41.2Very low113 Ų113137.6 Ų137.693%0.93479%0.786SS**  trans-69143.4146.600000110.3
117G36.2Very low40.6Very low74 Ų74140.1 Ų140.176%0.76379%0.786SS**  trans173.288.1175.700000118.8
118K43.1Very low40.2Very low175 Ų175138.7 Ų138.776%0.76178%0.784SS**  trans64.9125.6148.5-90.8176.9164.4173.80120.6
119R40.1Very low40.1Very low194 Ų194139.2 Ų139.273%0.73279%0.785SS**  trans92.9126.2133.5-75179-68.1-168.7-0.4120.4
120N39.7Very low39.9Very low122 Ų122139.9 Ų139.965%0.65279%0.785SS**  trans71.5113.3138.3-67.860000116.5
121E35.3Very low39.9Very low164 Ų164140.5 Ų140.577%0.76678%0.78SS**  84.397.773.9-179.8-158.4142.800111.3
122L46.9Very low39.8Very low144 Ų144141.1 Ų141.175%0.75478%0.778SS**  trans-163.388.7138.5-166.361.4000111.7K124L122-K124 HydrophobicContact CD1-CB 4.23Å; L122-K124 HydrophobicContact CG-CB 4.22Å
123D35.6Very low40Very low167 Ų167140 Ų14089%0.89377%0.772SS**  trans-71.3123.3148.9-84.3-68.3000107.9
124K45.1Very low40.6Very low169 Ų169141.1 Ų141.174%0.73577%0.769SS**  trans-155.8112.2161.2-153167.1-174.7179.70114.2L122L122-K124 HydrophobicContact CD1-CB 4.23Å; L122-K124 HydrophobicContact CG-CB 4.22Å
125P34.5Very low41.1Very low115 Ų115139 Ų13975%0.74776%0.759SS**  trans-71.9146.8159.532.3-32.8000109.4
126C36.9Very low41.1Very low128 Ų128139.2 Ų139.287%0.86576%0.756SS**  trans-121.2103174.1-154.80000110
127E35.5Very low41.4Very low156 Ų156141 Ų14173%0.72975%0.748SS**  trans-80.9-176163.6-59.9173.4153.200109.2
128N39.5Very low41.6Very low145 Ų145144.4 Ų144.478%0.77575%0.749SS**  trans79.5142.9174.9-36.1-74.5000117.2
129E44.5Very low41.4Very low172 Ų172141.2 Ų141.280%0.80475%0.746SS**  cis-166.4176.4-31.5-99.5-117.198.400108
130D41Very low41.1Very low128 Ų128139.5 Ų139.568%0.68475%0.75SS**  trans78.3118.2159.1-99.6-36.5000123.1
131K43Very low41.3Very low173 Ų173140 Ų14075%0.75276%0.758SS**  trans83.7109.2139.2-78.8175.6-177.3176.20124.7
132V46.4Very low41.5Very low129 Ų129140.8 Ų140.878%0.78276%0.761SS**  73.2129.1123.3172.90000116.8
133N38.5Very low41.3Very low137 Ų137137.7 Ų137.773%0.73376%0.764SS**  cis-145.9164.123.5-153.38.3000114.4
134S50.6Low41.3Very low96 Ų96137.3 Ų137.367%0.67176%0.762SS**  trans11.7145.2152.7-69.40000122.6
135S52.3Low41.1Very low89 Ų89135.1 Ų135.162%0.62277%0.768SS**  cis-176.4169.2-3.947.50000111.6
136N42.9Very low41.3Very low134 Ų134138.2 Ų138.272%0.71777%0.773SS**  trans76.391.7167.1-48.8-32.4000115.3
137L41.2Very low41.4Very low149 Ų149142.5 Ų142.578%0.7878%0.777SS**  71.3141.557.6-51.4171.1000113.1
138L40.9Very low41.5Very low147 Ų147137.8 Ų137.877%0.7777%0.77SS**  cis-174.8-168.6-7.3-108.2-179.1000107.2
139P39.5Very low41.8Very low107 Ų107139.5 Ų139.570%0.69578%0.776SS**  cis-130.8173.4-24.430.2-9.7000115.2
140L33.7Very low41.7Very low159 Ų159137.5 Ų137.583%0.83277%0.766SS**  trans-103.8159.1158.4-90.3152.8000110.3
141T44.4Very low41.6Very low133 Ų133139.5 Ų139.582%0.81677%0.769SS**  trans-126.5115.1172.557.20000112.1
142H38Very low41.4Very low180 Ų180135.1 Ų135.183%0.83377%0.773SS**  trans-118.8140.3165-93.3-106.8000109.1
143G44.1Very low40.9Very low78 Ų78140.6 Ų140.680%0.80478%0.779SS**  trans-109.7128174.200000110.7
144N34.5Very low41.3Very low159 Ų159142.4 Ų142.485%0.8579%0.788SS**  trans-90.7155.6173.2-68.3-12.5000110.7
145S41.1Very low40.6Very low124 Ų124142.7 Ų142.787%0.86780%0.797SS**  trans-148.1131.1154-170.10000108.5
146E39.2Very low40.4Very low180 Ų180142.8 Ų142.884%0.84180%0.802SS**  trans-85148.5-179-64.4157.779.300111.3
147F38.6Very low40.4Very low218 Ų218142.4 Ų142.496%0.95681%0.807SS**  -162.6153.4128.7-129.4-96000109.3
148G37.3Very low40Very low57 Ų57143.5 Ų143.559%0.58881%0.809SS**  trans-149.2-173.6-173.500000114.6
149M45.7Very low40.3Very low181 Ų181142.1 Ų142.189%0.89281%0.808SS**  trans67.8151.4-177.8-69.1171.9112.300114.9
150E41.8Very low39.9Very low129 Ų129142 Ų14260%0.60381%0.81SS**  cis-141.7-171.12.3-135.2-144.966.300114.9
151K39Very low40.1Very low171 Ų171137.6 Ų137.674%0.74380%0.803SS**  trans-58.6151.9-164.4-56.8165.7-1571070115.5
152G39.8Very low39.7Very low81 Ų81137.9 Ų137.984%0.83580%0.799SS**  trans-157.460.2171.700000114.1L154G152-L154 PolarHBondContact O-N 2.93Å
153R36Very low39.7Very low244 Ų244137.3 Ų137.392%0.92180%0.797SS**  trans-73115.1-179.5172.9-163.8-92.6-136.3-3111.7
154L46.3Very low39.6Very low174 Ų174142.5 Ų142.591%0.91180%0.801SS**  trans-144.1150.3144.7-79.7-174.5000109.9G152G152-L154 PolarHBondContact O-N 2.93Å
155A37Very low40Very low103 Ų103141.8 Ų141.885%0.85180%0.801SS**  trans-95.1151.6-177.900000111.9
156A47.5Very low40.2Very low90 Ų90139.9 Ų139.974%0.74479%0.789SS**  trans-125.5142.4162.400000108.3
157P43.2Very low40.8Very low126 Ų126140.3 Ų140.382%0.81879%0.79SS**  trans-69.7142.3-171.9-19.433000113
158Q32.4Very low42.1Very low173 Ų173134.6 Ų134.681%0.80877%0.769SS**  trans-72.6129.6159.1-65-69.7-1.700108.3S160Q158-S160 VanDerWaalsContact C-N 3.34Å; Q158-S160 PolarHBondContact O-N 2.82Å; Q158-S160 VanDerWaalsContact O-N 3.08Å
159P46.2Very low44.1Very low117 Ų117134.1 Ų134.176%0.7676%0.757SS**  trans-76.789164.231.5-30.9000108.7G161P159-G161 VanDerWaalsContact C-N 3.34Å; P159-G161 PolarHBondContact O-N 3.03Å
160S32Very low46.1Very low105 Ų105129.7 Ų129.773%0.73473%0.734SS**  trans-63101.4155.950.90000107Q158Q158-S160 VanDerWaalsContact C-N 3.34Å; Q158-S160 PolarHBondContact O-N 2.82Å; Q158-S160 VanDerWaalsContact O-N 3.08Å
161G38.5Very low48.3Very low67 Ų67126.8 Ų126.869%0.69172%0.718SS**  trans-135.650.4-168.600000109.6P159P159-G161 VanDerWaalsContact C-N 3.34Å; P159-G161 PolarHBondContact O-N 3.03Å
162D34.6Very low50.7Low138 Ų138121.7 Ų121.774%0.73870%0.699SS**  trans-73.5137.9-177.6-27.5-44000108.8
163E39.9Very low53Low168 Ų168120.5 Ų120.579%0.78567%0.673SS**SBendtrans57.463.5165.3-72.5-78.784.600118.6
164E41.1Very low55.5Low188 Ų188108.9 Ų108.988%0.87963%0.629SS**  trans-13850.3159.2-152.1-175.7-139.100114.4
165V42.3Very low57.4Low143 Ų143101.9 Ų101.987%0.86760%0.599SS**SBendtrans-109.2-11165.8-175.80000111.7
166S45.1Very low59.9Low85 Ų85105.7 Ų105.759%0.59459%0.591SS**SBendtrans-86.3117.5-179.6-65.90000111.2
167Q53.1Low61.8Low188 Ų188106.1 Ų106.188%0.87958%0.58SS**  trans65.765.4175-50.7-179.220.900115.9S169Q167-S169 PolarHBondContact O-N 3.47Å; Q167-S169 VanDerWaalsContact O-N 3.15Å
168L64.6Low63.9Low99 Ų99101.2 Ų101.252%0.51855%0.546SS..  trans-52.8120.1144.1-82169.8000107.5D172 I173L168-D172 HydrophobicContact CD2-CB 4.47Å; L168-I173 HydrophobicContact CB-CD1 4.42Å; L168-I173 HydrophobicContact CB-CG1 4.28Å
169S80.8Confident66.4Low47 Ų4797.8 Ų97.833%0.32954%0.539SS..  trans-65.4151.7-175.380.60000110.1Q167 Y171 D172 I173Q167-S169 PolarHBondContact O-N 3.47Å; Q167-S169 VanDerWaalsContact O-N 3.15Å; S169-Y171 PolarHBondContact O-N 3.22Å; S169-Y171 VanDerWaalsContact O-N 3.09Å; S169-Y171 PolarHBondContact OG-N 3.13Å; S169-D172 VanDerWaalsContact CB-OD2 3.27Å; S169-D172 WeakPolarHBondContact CB-OD2 3.44Å; S169-D172 PolarHBondContact N-OD2 3.13Å; S169-D172 PolarHBondContact O-N 2.82Å; S169-D172 VanDerWaalsContact OG-CG 3.23Å; S169-D172 PolarHBondContact OG-N 3.23Å; S169-D172 VanDerWaalsContact OG-N 3.16Å; S169-D172 PolarHBondContact OG-OD2 3.22Å; S169-I173 PolarHBondContact O-N 3.33Å
170H86.5Confident68.2Low87 Ų8798.6 Ų98.640%0.40354%0.537SS..Hα-helixtrans-60.7-24.6178.5-58174.7000111.5L174 L190 G195 I197H170-L174 WeakPolarHBondContact O-CG 3.42Å; H170-L174 PolarHBondContact O-N 3.33Å; H170-L190 HydrophobicContact CB-CD1 4.32Å; H170-L190 HydrophobicContact CB-CD2 3.63Å; H170-G195 PolarHBondContact CE1-O 2.94Å; H170-G195 PolarHBondContact ND1-O 2.86Å; H170-I197 HydrophobicContact CB-CD1 4.47Å; H170-I197 HydrophobicContact CB-CG1 4.06Å
171Y88.2Confident70.7Confident69 Ų6995.6 Ų95.627%0.27151%0.511SS..Hα-helixtrans-66.7-46.4169.7175-92.1000112.7S169 I173 L174 G175 K183 I186 E187S169-Y171 PolarHBondContact O-N 3.22Å; S169-Y171 VanDerWaalsContact O-N 3.09Å; S169-Y171 PolarHBondContact OG-N 3.13Å; Y171-I173 VanDerWaalsContact C-N 3.27Å; Y171-I173 PolarHBondContact O-N 2.89Å; Y171-L174 PolarHBondContact O-N 3.43Å; Y171-G175 PolarHBondContact O-N 2.88Å; Y171-K183 HydrophobicContact CE2-CB 4.29Å; Y171-K183 HydrophobicContact CE2-CD 4.2Å; Y171-K183 HydrophobicContact CE2-CG 3.77Å; Y171-K183 WeakPolarHBondContact OH-CD 3.46Å; Y171-I186 HydrophobicContact CD2-CB 4.48Å; Y171-I186 HydrophobicContact CD2-CG2 3.8Å; Y171-I186 HydrophobicContact CE2-CB 4.37Å; Y171-I186 HydrophobicContact CE2-CG2 4.1Å; Y171-E187 HydrophobicContact CD2-CG 3.95Å; Y171-E187 HydrophobicContact CE2-CG 4.16Å
172D89.6Confident73.1Confident64 Ų6498.8 Ų98.834%0.34251%0.506SS..Hα-helixtrans-64-33.7-179.6-62.7-58000112.7L168 S169 R176L168-D172 HydrophobicContact CD2-CB 4.47Å; S169-D172 VanDerWaalsContact CB-OD2 3.27Å; S169-D172 WeakPolarHBondContact CB-OD2 3.44Å; S169-D172 PolarHBondContact N-OD2 3.13Å; S169-D172 PolarHBondContact O-N 2.82Å; S169-D172 VanDerWaalsContact OG-CG 3.23Å; S169-D172 PolarHBondContact OG-N 3.23Å; S169-D172 VanDerWaalsContact OG-N 3.16Å; S169-D172 PolarHBondContact OG-OD2 3.22Å; D172-R176 WeakPolarHBondContact O-CD 3.47Å; D172-R176 VanDerWaalsContact O-CG 3.24Å; D172-R176 WeakPolarHBondContact O-CG 3.43Å; D172-R176 PolarHBondContact O-N 3.36Å
173I89.1Confident75.7Confident55 Ų5597.5 Ų97.528%0.28249%0.494SS..Hα-helixtrans-66.6-52175.7-62.8168.9000109.6L168 S169 Y171 R176 L177 I197L168-I173 HydrophobicContact CB-CD1 4.42Å; L168-I173 HydrophobicContact CB-CG1 4.28Å; S169-I173 PolarHBondContact O-N 3.33Å; Y171-I173 VanDerWaalsContact C-N 3.27Å; Y171-I173 PolarHBondContact O-N 2.89Å; I173-R176 PolarHBondContact O-N 3.12Å; I173-L177 HydrophobicContact CG2-CD1 4.06Å; I173-L177 WeakPolarHBondContact O-CG 3.31Å; I173-L177 PolarHBondContact O-N 2.96Å; I173-I197 HydrophobicContact CD1-CD1 3.99Å; I173-I197 HydrophobicContact CG2-CG2 4.3Å
174L87Confident78Confident0 Ų095.2 Ų95.20%048%0.483CS..Hα-helixtrans-66.9-38.2180-67.3175.9000112.8H170 Y171 R176 L177 F178 I186 L190 I197 A200 I201 L204H170-L174 WeakPolarHBondContact O-CG 3.42Å; H170-L174 PolarHBondContact O-N 3.33Å; Y171-L174 PolarHBondContact O-N 3.43Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.1Å; L174-L177 PolarHBondContact O-N 2.77Å; L174-L177 VanDerWaalsContact O-N 3.12Å; L174-F178 HydrophobicContact CD2-CD2 4.24Å; L174-F178 HydrophobicContact CD2-CE2 3.95Å; L174-F178 PolarHBondContact O-N 2.69Å; L174-I186 HydrophobicContact CB-CG2 3.52Å; L174-I186 HydrophobicContact CD1-CG2 3.83Å; L174-I186 HydrophobicContact CG-CG2 4.33Å; L174-L190 HydrophobicContact CD1-CD1 4.03Å; L174-L190 HydrophobicContact CD1-CD2 3.6Å; L174-L190 HydrophobicContact CD1-CG 3.67Å; L174-I197 HydrophobicContact CD2-CG2 4.23Å; L174-I197 HydrophobicContact CG-CG2 4.48Å; L174-A200 HydrophobicContact CD1-CB 3.73Å; L174-A200 HydrophobicContact CD2-CB 4.47Å; L174-I201 HydrophobicContact CD2-CD1 4.43Å; L174-I201 HydrophobicContact CD2-CG1 3.53Å; L174-L204 HydrophobicContact CB-CD1 4.45Å; L174-L204 HydrophobicContact CD1-CD1 4.07Å; L174-L204 HydrophobicContact CD2-CD1 3.97Å; L174-L204 HydrophobicContact CG-CD1 4.4Å
175G86.5Confident80.3Confident27 Ų2788.7 Ų88.728%0.27846%0.456SS..Hα-helixtrans-64.4-28.2177.100000113.8Y171Y171-G175 PolarHBondContact O-N 2.88Å
176R89.3Confident82.6Confident184 Ų18482 Ų8269%0.69442%0.415SS*.Hα-helixtrans-79.7-30.2171.5-70173.2-168.8-164.55.7113D172 I173 L174D172-R176 WeakPolarHBondContact O-CD 3.47Å; D172-R176 VanDerWaalsContact O-CG 3.24Å; D172-R176 WeakPolarHBondContact O-CG 3.43Å; D172-R176 PolarHBondContact O-N 3.36Å; I173-R176 PolarHBondContact O-N 3.12Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.1Å
177L88.1Confident84.7Confident99 Ų9981.6 Ų81.652%0.51840%0.404SS..Hα-helixtrans-80.3-35.3179.2-70.2171000113I173 L174 P179 I201I173-L177 HydrophobicContact CG2-CD1 4.06Å; I173-L177 WeakPolarHBondContact O-CG 3.31Å; I173-L177 PolarHBondContact O-N 2.96Å; L174-L177 PolarHBondContact O-N 2.77Å; L174-L177 VanDerWaalsContact O-N 3.12Å; L177-P179 VanDerWaalsContact C-CD 3.4Å; L177-P179 VanDerWaalsContact O-CD 3.31Å; L177-P179 WeakPolarHBondContact O-CD 3.36Å; L177-I201 HydrophobicContact CD1-CD1 3.96Å; L177-I201 HydrophobicContact CD1-CG1 4.26Å
178F86.8Confident86.3Confident23 Ų2378.2 Ų78.210%0.10139%0.39CS..  trans-121.961.8-174.3-59.1-79000112.4L174 N180 H181 I201 L204 L205L174-F178 HydrophobicContact CD2-CD2 4.24Å; L174-F178 HydrophobicContact CD2-CE2 3.95Å; L174-F178 PolarHBondContact O-N 2.69Å; F178-N180 PolarHBondContact O-N 2.97Å; F178-H181 HydrophobicContact CB-CB 4.02Å; F178-H181 PolarHBondContact O-N 3.23Å; F178-I201 HydrophobicContact CE2-CG1 4.21Å; F178-I201 HydrophobicContact CZ-CG2 4.27Å; F178-L204 HydrophobicContact CD1-CB 4.22Å; F178-L204 HydrophobicContact CD2-CB 4.08Å; F178-L204 HydrophobicContact CD2-CD1 3.76Å; F178-L204 HydrophobicContact CD2-CG 4.44Å; F178-L204 HydrophobicContact CE1-CB 3.91Å; F178-L204 HydrophobicContact CE2-CB 3.76Å; F178-L204 HydrophobicContact CE2-CD1 3.85Å; F178-L204 HydrophobicContact CE2-CG 4.42Å; F178-L204 HydrophobicContact CG-CB 4.3Å; F178-L204 HydrophobicContact CG-CD1 4.45Å; F178-L204 HydrophobicContact CZ-CB 3.66Å; F178-L205 HydrophobicContact CE1-CD2 3.91Å; F178-L205 HydrophobicContact CE1-CG 4.06Å; F178-L205 HydrophobicContact CZ-CD2 4.28Å; F178-L205 HydrophobicContact CZ-CG 4.02Å
179P85.3Confident87.5Confident101 Ų10173.6 Ų73.666%0.65637%0.366SS*.THydrogen-bonded Turntrans-62-18.1-175.126.9-36.7000114.4L177L177-P179 VanDerWaalsContact C-CD 3.4Å; L177-P179 VanDerWaalsContact O-CD 3.31Å; L177-P179 WeakPolarHBondContact O-CD 3.36Å
180N84.4Confident87.9Confident133 Ų13372.5 Ų72.571%0.71136%0.357SS*.THydrogen-bonded Turntrans-89.3-7.3176.9-63.9-2.2000113.4F178F178-N180 PolarHBondContact O-N 2.97Å
181H84.2Confident88.1Confident43 Ų4374.3 Ų74.320%0.19937%0.368CS..SBendtrans-90.9144.7177.7-78.367.3000111F178 I186 L204F178-H181 HydrophobicContact CB-CB 4.02Å; F178-H181 PolarHBondContact O-N 3.23Å; H181-I186 HydrophobicContact CB-CD1 4.28Å; H181-I186 HydrophobicContact CB-CG1 4.27Å; H181-L204 HydrophobicContact CB-CD2 4.4Å
182K88.3Confident88.1Confident133 Ų13374.5 Ų74.558%0.57838%0.38SS*.  trans-66.5144.8174.5-66.5-172.5174.9-1730110.8E184 T185 I186K182-E184 HydrophobicContact CB-CB 4.38Å; K182-E184 WeakPolarHBondContact CD-OE2 3.31Å; K182-E184 IonicContact NZ-OE2 3.3Å; K182-E184 PolarHBondContact NZ-OE2 3Å; K182-E184 PolarHBondContact O-N 3.36Å; K182-T185 WeakPolarHBondContact O-CB 3.44Å; K182-T185 PolarHBondContact O-N 2.96Å; K182-I186 PolarHBondContact O-N 3.43Å
183K88.9Confident88Confident112 Ų11274.2 Ų74.249%0.48738%0.376SS..Hα-helixtrans-44.8-49.3167.8167.4160.9-173.21720112Y171 T185 I186 E187Y171-K183 HydrophobicContact CE2-CB 4.29Å; Y171-K183 HydrophobicContact CE2-CD 4.2Å; Y171-K183 HydrophobicContact CE2-CG 3.77Å; Y171-K183 WeakPolarHBondContact OH-CD 3.46Å; K183-T185 VanDerWaalsContact C-N 3.3Å; K183-T185 PolarHBondContact O-N 2.92Å; K183-I186 PolarHBondContact O-N 3.04Å; K183-I186 VanDerWaalsContact O-N 3.12Å; K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 WeakPolarHBondContact CE-OE2 3.44Å; K183-E187 HydrophobicContact CG-CG 4.33Å; K183-E187 WeakPolarHBondContact CG-OE2 3.29Å; K183-E187 IonicContact NZ-OE1 3.29Å; K183-E187 PolarHBondContact NZ-OE1 3.12Å; K183-E187 PolarHBondContact O-N 3.4Å
184E88.9Confident87.9Confident119 Ų11979.2 Ų79.256%0.55640%0.403SS*.Hα-helixtrans-50.4-44.8176.6-60.4162.217200112.8K182 M188K182-E184 HydrophobicContact CB-CB 4.38Å; K182-E184 WeakPolarHBondContact CD-OE2 3.31Å; K182-E184 IonicContact NZ-OE2 3.3Å; K182-E184 PolarHBondContact NZ-OE2 3Å; K182-E184 PolarHBondContact O-N 3.36Å; E184-M188 WeakPolarHBondContact O-CB 3.44Å; E184-M188 VanDerWaalsContact O-CG 3.27Å; E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 3.31Å
185T90.3Very high87.7Confident51 Ų5180.3 Ų80.331%0.31341%0.414SS..Hα-helixtrans-71.2-36.4-178.2-47.60000111.9K182 K183 A189 L204K182-T185 WeakPolarHBondContact O-CB 3.44Å; K182-T185 PolarHBondContact O-N 2.96Å; K183-T185 VanDerWaalsContact C-N 3.3Å; K183-T185 PolarHBondContact O-N 2.92Å; T185-A189 WeakPolarHBondContact O-CB 3.5Å; T185-A189 PolarHBondContact O-N 2.98Å; T185-L204 HydrophobicContact CG2-CD2 4.15Å
186I89.4Confident87.8Confident3 Ų381.6 Ų81.62%0.01541%0.414CS..Hα-helixtrans-70.3-43.7177.1-65.4171.4000110.5Y171 L174 H181 K182 K183 A189 L190 L204Y171-I186 HydrophobicContact CD2-CB 4.48Å; Y171-I186 HydrophobicContact CD2-CG2 3.8Å; Y171-I186 HydrophobicContact CE2-CB 4.37Å; Y171-I186 HydrophobicContact CE2-CG2 4.1Å; L174-I186 HydrophobicContact CB-CG2 3.52Å; L174-I186 HydrophobicContact CD1-CG2 3.83Å; L174-I186 HydrophobicContact CG-CG2 4.33Å; H181-I186 HydrophobicContact CB-CD1 4.28Å; H181-I186 HydrophobicContact CB-CG1 4.27Å; K182-I186 PolarHBondContact O-N 3.43Å; K183-I186 PolarHBondContact O-N 3.04Å; K183-I186 VanDerWaalsContact O-N 3.12Å; I186-A189 PolarHBondContact O-N 3.2Å; I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.24Å; I186-L190 PolarHBondContact O-N 2.84Å; I186-L204 HydrophobicContact CG1-CD1 4.22Å; I186-L204 HydrophobicContact CG1-CD2 4.21Å
187E89.5Confident87.9Confident77 Ų7774.8 Ų74.836%0.3639%0.392SS..Hα-helixtrans-64.3-42175.4-71.1177.5141.100111.7Y171 K183 L190 L191Y171-E187 HydrophobicContact CD2-CG 3.95Å; Y171-E187 HydrophobicContact CE2-CG 4.16Å; K183-E187 WeakPolarHBondContact CE-OE1 3.44Å; K183-E187 WeakPolarHBondContact CE-OE2 3.44Å; K183-E187 HydrophobicContact CG-CG 4.33Å; K183-E187 WeakPolarHBondContact CG-OE2 3.29Å; K183-E187 IonicContact NZ-OE1 3.29Å; K183-E187 PolarHBondContact NZ-OE1 3.12Å; K183-E187 PolarHBondContact O-N 3.4Å; E187-L190 PolarHBondContact O-N 3.3Å; E187-L191 WeakPolarHBondContact O-CB 3.29Å; E187-L191 WeakPolarHBondContact O-CG 3.07Å; E187-L191 PolarHBondContact O-N 3.41Å
188M87.4Confident88.1Confident116 Ų11674.4 Ų74.457%0.57139%0.393SS*.Hα-helixtrans-61.1-42.5173.2-79.1-61-55.200112.7E184 L191 S192E184-M188 WeakPolarHBondContact O-CB 3.44Å; E184-M188 VanDerWaalsContact O-CG 3.27Å; E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 3.31Å; M188-L191 PolarHBondContact O-N 3.45Å; M188-S192 WeakPolarHBondContact O-CB 3.27Å; M188-S192 PolarHBondContact O-N 3.41Å; M188-S192 PolarHBondContact O-OG 3.46Å
189A88.7Confident88.3Confident3 Ų378.1 Ų78.13%0.02541%0.409CS..Hα-helixtrans-62.4-46.2175.500000111.6T185 I186 L191 S192 F193 A200 L204T185-A189 WeakPolarHBondContact O-CB 3.5Å; T185-A189 PolarHBondContact O-N 2.98Å; I186-A189 PolarHBondContact O-N 3.2Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 3.41Å; A189-S192 PolarHBondContact O-N 3.15Å; A189-F193 WeakPolarHBondContact O-CD2 3.31Å; A189-F193 PolarHBondContact O-N 2.87Å; A189-F193 VanDerWaalsContact O-N 3.12Å; A189-A200 HydrophobicContact CB-CB 4.18Å; A189-L204 HydrophobicContact CB-CD1 4.38Å; A189-L204 HydrophobicContact CB-CG 4.33Å
190L90.2Very high88.6Confident24 Ų2473.3 Ų73.313%0.12638%0.378CS..Hα-helixtrans-61.1-39.9176.9-72.9170.3000112.5H170 L174 I186 E187 N194 G195 A200H170-L190 HydrophobicContact CB-CD1 4.32Å; H170-L190 HydrophobicContact CB-CD2 3.63Å; L174-L190 HydrophobicContact CD1-CD1 4.03Å; L174-L190 HydrophobicContact CD1-CD2 3.6Å; L174-L190 HydrophobicContact CD1-CG 3.67Å; I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 WeakPolarHBondContact O-CG 3.24Å; I186-L190 PolarHBondContact O-N 2.84Å; E187-L190 PolarHBondContact O-N 3.3Å; L190-N194 PolarHBondContact O-N 2.83Å; L190-G195 PolarHBondContact O-N 2.55Å; L190-A200 HydrophobicContact CD2-CB 4.31Å
191L90.8Very high88.9Confident124 Ų12469.4 Ų69.465%0.64936%0.357SS*.Hα-helixtrans-63.3-45.7172.6-81.9160.5000112E187 M188 A189 F193 N194E187-L191 WeakPolarHBondContact O-CB 3.29Å; E187-L191 WeakPolarHBondContact O-CG 3.07Å; E187-L191 PolarHBondContact O-N 3.41Å; M188-L191 PolarHBondContact O-N 3.45Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 3.41Å; L191-F193 VanDerWaalsContact C-N 3.26Å; L191-F193 PolarHBondContact O-N 3.08Å; L191-N194 PolarHBondContact O-N 3.24Å
192S86.8Confident89.1Confident74 Ų7472.9 Ų72.952%0.51737%0.373SS..Hα-helixtrans-64.6-26.2-179-650000114.2M188 A189M188-S192 WeakPolarHBondContact O-CB 3.27Å; M188-S192 PolarHBondContact O-N 3.41Å; M188-S192 PolarHBondContact O-OG 3.46Å; A189-S192 PolarHBondContact O-N 3.15Å
193F87.9Confident89.2Confident57 Ų5770 Ų7025%0.2536%0.362CS..THydrogen-bonded Turntrans-112.319.9-178.3-55.3-61.9000114.2A189 L191 G195 D196 K199 A200 H203A189-F193 WeakPolarHBondContact O-CD2 3.31Å; A189-F193 PolarHBondContact O-N 2.87Å; A189-F193 VanDerWaalsContact O-N 3.12Å; L191-F193 VanDerWaalsContact C-N 3.26Å; L191-F193 PolarHBondContact O-N 3.08Å; F193-G195 PolarHBondContact O-N 3.15Å; F193-G195 VanDerWaalsContact O-N 3.15Å; F193-D196 HydrophobicContact CB-CB 4.19Å; F193-D196 VanDerWaalsContact O-CB 3.28Å; F193-D196 WeakPolarHBondContact O-CB 3.33Å; F193-D196 PolarHBondContact O-N 3.12Å; F193-K199 HydrophobicContact CB-CB 3.87Å; F193-K199 HydrophobicContact CB-CD 4.49Å; F193-K199 HydrophobicContact CD1-CB 3.65Å; F193-K199 HydrophobicContact CD1-CD 3.92Å; F193-K199 HydrophobicContact CD1-CG 4.44Å; F193-K199 HydrophobicContact CD2-CB 3.98Å; F193-K199 HydrophobicContact CE1-CB 4.2Å; F193-K199 HydrophobicContact CG-CB 3.53Å; F193-K199 HydrophobicContact CG-CD 4.42Å; F193-A200 HydrophobicContact CD2-CB 4.18Å; F193-H203 HydrophobicContact CE2-CB 3.45Å; F193-H203 VanDerWaalsContact CE2-CB 3.45Å; F193-H203 AromaticContact CE2-CG 3.77Å; F193-H203 HydrophobicContact CZ-CB 3.69Å; F193-H203 AromaticContact CZ-CG 3.84Å
194N86.5Confident89.1Confident161 Ų16164.7 Ų64.786%0.86134%0.338SS*.THydrogen-bonded Turntrans51.435-179.4-64.7-6.4000113.7L190 L191L190-N194 PolarHBondContact O-N 2.83Å; L191-N194 PolarHBondContact O-N 3.24Å
195G83.6Confident89Confident22 Ų2263.3 Ų63.323%0.22733%0.334CS..THydrogen-bonded Turntrans81.66.1-177.400000115.7H170 L190 F193 I197H170-G195 PolarHBondContact CE1-O 2.94Å; H170-G195 PolarHBondContact ND1-O 2.86Å; L190-G195 PolarHBondContact O-N 2.55Å; F193-G195 PolarHBondContact O-N 3.15Å; F193-G195 VanDerWaalsContact O-N 3.15Å; G195-I197 PolarHBondContact O-N 3.35Å; G195-I197 VanDerWaalsContact O-N 3.12Å
196D89.7Confident88.7Confident54 Ų5465 Ų6529%0.28935%0.348SS..  trans-68.3107173.3-173.6-26.6000111.1F193 V198 K199 A200F193-D196 HydrophobicContact CB-CB 4.19Å; F193-D196 VanDerWaalsContact O-CB 3.28Å; F193-D196 WeakPolarHBondContact O-CB 3.33Å; F193-D196 PolarHBondContact O-N 3.12Å; D196-V198 VanDerWaalsContact C-N 3.28Å; D196-V198 PolarHBondContact O-N 2.8Å; D196-V198 PolarHBondContact OD1-N 3.28Å; D196-K199 HydrophobicContact CB-CB 4.41Å; D196-K199 HydrophobicContact CB-CG 4.42Å; D196-K199 PolarHBondContact OD1-N 3.35Å; D196-K199 IonicContact OD2-NZ 2.69Å; D196-K199 PolarHBondContact OD2-NZ 2.94Å; D196-A200 WeakPolarHBondContact O-CB 3.4Å; D196-A200 PolarHBondContact O-N 3.18Å; D196-A200 VanDerWaalsContact O-N 3.1Å
197I91Very high87.8Confident42 Ų4268.6 Ų68.622%0.21537%0.367CS..Hα-helixtrans-60.2-37.6-177.7-41.6177000111.3H170 I173 L174 G195 A200 I201H170-I197 HydrophobicContact CB-CD1 4.47Å; H170-I197 HydrophobicContact CB-CG1 4.06Å; I173-I197 HydrophobicContact CD1-CD1 3.99Å; I173-I197 HydrophobicContact CG2-CG2 4.3Å; L174-I197 HydrophobicContact CD2-CG2 4.23Å; L174-I197 HydrophobicContact CG-CG2 4.48Å; G195-I197 PolarHBondContact O-N 3.35Å; G195-I197 VanDerWaalsContact O-N 3.12Å; I197-A200 PolarHBondContact O-N 3.26Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 HydrophobicContact CG2-CG1 4.39Å; I197-I201 VanDerWaalsContact O-CG1 3.29Å; I197-I201 WeakPolarHBondContact O-CG1 3.46Å; I197-I201 PolarHBondContact O-N 3.16Å
198V91.7Very high86.8Confident91 Ų9166.7 Ų66.755%0.55236%0.362SS*.Hα-helixtrans-70-47.5-172.7-175.90000109.8D196 A200 I201 E202D196-V198 VanDerWaalsContact C-N 3.28Å; D196-V198 PolarHBondContact O-N 2.8Å; D196-V198 PolarHBondContact OD1-N 3.28Å; V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 PolarHBondContact O-N 3.26Å; V198-I201 WeakPolarHBondContact O-CB 3.41Å; V198-I201 PolarHBondContact O-N 3.35Å; V198-E202 WeakPolarHBondContact O-CG 3.33Å; V198-E202 PolarHBondContact O-N 3.2Å
199K90.3Very high85.3Confident101 Ų10169.4 Ų69.444%0.43937%0.374SS..Hα-helixtrans-63.8-36.3175.1-63.2-170.8-176.479.10112.3F193 D196 E202 H203F193-K199 HydrophobicContact CB-CB 3.87Å; F193-K199 HydrophobicContact CB-CD 4.49Å; F193-K199 HydrophobicContact CD1-CB 3.65Å; F193-K199 HydrophobicContact CD1-CD 3.92Å; F193-K199 HydrophobicContact CD1-CG 4.44Å; F193-K199 HydrophobicContact CD2-CB 3.98Å; F193-K199 HydrophobicContact CE1-CB 4.2Å; F193-K199 HydrophobicContact CG-CB 3.53Å; F193-K199 HydrophobicContact CG-CD 4.42Å; D196-K199 HydrophobicContact CB-CB 4.41Å; D196-K199 HydrophobicContact CB-CG 4.42Å; D196-K199 PolarHBondContact OD1-N 3.35Å; D196-K199 IonicContact OD2-NZ 2.69Å; D196-K199 PolarHBondContact OD2-NZ 2.94Å; K199-E202 PolarHBondContact O-N 3.09Å; K199-H203 WeakPolarHBondContact O-CB 3.45Å; K199-H203 PolarHBondContact O-N 3.49Å
200A92.1Very high83.6Confident0 Ų076 Ų760%041%0.413CS..Hα-helixtrans-64.6-41.3174.400000112.1L174 A189 L190 F193 D196 I197 V198 L204L174-A200 HydrophobicContact CD1-CB 3.73Å; L174-A200 HydrophobicContact CD2-CB 4.47Å; A189-A200 HydrophobicContact CB-CB 4.18Å; L190-A200 HydrophobicContact CD2-CB 4.31Å; F193-A200 HydrophobicContact CD2-CB 4.18Å; D196-A200 WeakPolarHBondContact O-CB 3.4Å; D196-A200 PolarHBondContact O-N 3.18Å; D196-A200 VanDerWaalsContact O-N 3.1Å; I197-A200 PolarHBondContact O-N 3.26Å; V198-A200 VanDerWaalsContact C-N 3.3Å; V198-A200 PolarHBondContact O-N 3.26Å; A200-L204 VanDerWaalsContact O-CB 3.29Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CD1 2.76Å; A200-L204 VanDerWaalsContact O-CG 3.31Å; A200-L204 WeakPolarHBondContact O-CG 3.44Å; A200-L204 PolarHBondContact O-N 3.34Å
201I90.7Very high81.4Confident51 Ų5178 Ų7826%0.26243%0.434SS..Hα-helixtrans-60.6-49.2172.6-71.9167.5000110.7L174 L177 F178 I197 V198 H203 L204 L205L174-I201 HydrophobicContact CD2-CD1 4.43Å; L174-I201 HydrophobicContact CD2-CG1 3.53Å; L177-I201 HydrophobicContact CD1-CD1 3.96Å; L177-I201 HydrophobicContact CD1-CG1 4.26Å; F178-I201 HydrophobicContact CE2-CG1 4.21Å; F178-I201 HydrophobicContact CZ-CG2 4.27Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 HydrophobicContact CG2-CG1 4.39Å; I197-I201 VanDerWaalsContact O-CG1 3.29Å; I197-I201 WeakPolarHBondContact O-CG1 3.46Å; I197-I201 PolarHBondContact O-N 3.16Å; V198-I201 WeakPolarHBondContact O-CB 3.41Å; V198-I201 PolarHBondContact O-N 3.35Å; I201-H203 VanDerWaalsContact C-N 3.35Å; I201-H203 PolarHBondContact O-N 3.09Å; I201-L204 PolarHBondContact O-N 3.49Å; I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.31Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3Å
202E89.6Confident79.1Confident115 Ų11576.4 Ų76.454%0.53743%0.433SS..Hα-helixtrans-57.8-46.3179.6-71.8172.2167.400111.6V198 K199 L205 S206V198-E202 WeakPolarHBondContact O-CG 3.33Å; V198-E202 PolarHBondContact O-N 3.2Å; K199-E202 PolarHBondContact O-N 3.09Å; E202-L205 PolarHBondContact O-N 2.92Å; E202-S206 PolarHBondContact O-N 3.01Å; E202-S206 PolarHBondContact O-OG 3.15Å
203H88.5Confident76.9Confident74 Ų7478.8 Ų78.834%0.34345%0.446SS..Hα-helixtrans-68.8-39.3178.3-172.266.3000113.6F193 K199 I201 S206 N207F193-H203 HydrophobicContact CE2-CB 3.45Å; F193-H203 VanDerWaalsContact CE2-CB 3.45Å; F193-H203 AromaticContact CE2-CG 3.77Å; F193-H203 HydrophobicContact CZ-CB 3.69Å; F193-H203 AromaticContact CZ-CG 3.84Å; K199-H203 WeakPolarHBondContact O-CB 3.45Å; K199-H203 PolarHBondContact O-N 3.49Å; I201-H203 VanDerWaalsContact C-N 3.35Å; I201-H203 PolarHBondContact O-N 3.09Å; H203-S206 PolarHBondContact O-N 2.89Å; H203-N207 PolarHBondContact CD2-ND2 3.05Å; H203-N207 PolarHBondContact CE1-ND2 3Å; H203-N207 PolarHBondContact NE2-ND2 2.95Å; H203-N207 PolarHBondContact O-N 3.01Å; H203-N207 PolarHBondContact O-ND2 3.34Å
204L88.3Confident74.6Confident0 Ų084.3 Ų84.30%047%0.473CS..Hα-helixtrans-65.3-38.7175.1-79.2161.1000111.4L174 F178 H181 T185 I186 A189 A200 I201 N207 S208L174-L204 HydrophobicContact CB-CD1 4.45Å; L174-L204 HydrophobicContact CD1-CD1 4.07Å; L174-L204 HydrophobicContact CD2-CD1 3.97Å; L174-L204 HydrophobicContact CG-CD1 4.4Å; F178-L204 HydrophobicContact CD1-CB 4.22Å; F178-L204 HydrophobicContact CD2-CB 4.08Å; F178-L204 HydrophobicContact CD2-CD1 3.76Å; F178-L204 HydrophobicContact CD2-CG 4.44Å; F178-L204 HydrophobicContact CE1-CB 3.91Å; F178-L204 HydrophobicContact CE2-CB 3.76Å; F178-L204 HydrophobicContact CE2-CD1 3.85Å; F178-L204 HydrophobicContact CE2-CG 4.42Å; F178-L204 HydrophobicContact CG-CB 4.3Å; F178-L204 HydrophobicContact CG-CD1 4.45Å; F178-L204 HydrophobicContact CZ-CB 3.66Å; H181-L204 HydrophobicContact CB-CD2 4.4Å; T185-L204 HydrophobicContact CG2-CD2 4.15Å; I186-L204 HydrophobicContact CG1-CD1 4.22Å; I186-L204 HydrophobicContact CG1-CD2 4.21Å; A189-L204 HydrophobicContact CB-CD1 4.38Å; A189-L204 HydrophobicContact CB-CG 4.33Å; A200-L204 VanDerWaalsContact O-CB 3.29Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CD1 2.76Å; A200-L204 VanDerWaalsContact O-CG 3.31Å; A200-L204 WeakPolarHBondContact O-CG 3.44Å; A200-L204 PolarHBondContact O-N 3.34Å; I201-L204 PolarHBondContact O-N 3.49Å; L204-N207 PolarHBondContact O-N 3.08Å; L204-S208 WeakPolarHBondContact O-CB 3.19Å; L204-S208 PolarHBondContact O-N 3.04Å; L204-S208 VanDerWaalsContact O-N 3.15Å
205L86.8Confident72.4Confident90 Ų9084.6 Ų84.647%0.47147%0.466SS..Hα-helixtrans-62.3-49.8171.3-72.6167.5000111.2F178 I201 E202 N207 S208F178-L205 HydrophobicContact CE1-CD2 3.91Å; F178-L205 HydrophobicContact CE1-CG 4.06Å; F178-L205 HydrophobicContact CZ-CD2 4.28Å; F178-L205 HydrophobicContact CZ-CG 4.02Å; I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.31Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3Å; E202-L205 PolarHBondContact O-N 2.92Å; L205-N207 PolarHBondContact O-N 3.38Å; L205-S208 WeakPolarHBondContact O-CB 3.27Å; L205-S208 PolarHBondContact O-N 3.05Å; L205-S208 PolarHBondContact O-OG 3.47Å
206S82.5Confident70.4Confident85 Ų8591 Ų9159%0.59450%0.495SS*.Hα-helixtrans-59.2-31.4179.4-59.70000114E202 H203E202-S206 PolarHBondContact O-N 3.01Å; E202-S206 PolarHBondContact O-OG 3.15Å; H203-S206 PolarHBondContact O-N 2.89Å
207N71.6Confident67.9Low79 Ų7994.3 Ų94.342%0.42251%0.512SS..Hα-helixtrans-85.7-12.2175.5-70.7-29.5000113.7H203 L204 L205H203-N207 PolarHBondContact CD2-ND2 3.05Å; H203-N207 PolarHBondContact CE1-ND2 3Å; H203-N207 PolarHBondContact NE2-ND2 2.95Å; H203-N207 PolarHBondContact O-N 3.01Å; H203-N207 PolarHBondContact O-ND2 3.34Å; L204-N207 PolarHBondContact O-N 3.08Å; L205-N207 PolarHBondContact O-N 3.38Å
208S67.5Low65.5Low37 Ų37101.4 Ų101.426%0.25954%0.541SS..Hα-helixtrans-80.6-17.2-171.171.60000115.2L204 L205 V210 A211L204-S208 WeakPolarHBondContact O-CB 3.19Å; L204-S208 PolarHBondContact O-N 3.04Å; L204-S208 VanDerWaalsContact O-N 3.15Å; L205-S208 WeakPolarHBondContact O-CB 3.27Å; L205-S208 PolarHBondContact O-N 3.05Å; L205-S208 PolarHBondContact O-OG 3.47Å; S208-V210 PolarHBondContact O-N 3.13Å; S208-A211 PolarHBondContact O-N 3.25Å; S208-A211 VanDerWaalsContact O-N 3.09Å
209E57.3Low63.1Low173 Ų173103.7 Ų103.781%0.80855%0.55SS**THydrogen-bonded Turntrans-64.3-15.8-165.7-57.6-167.2160.700114.6
210V52.8Low60.7Low141 Ų141106.5 Ų106.586%0.85557%0.57SS**THydrogen-bonded Turntrans-88.9-1.8179-115.90000114.5S208S208-V210 PolarHBondContact O-N 3.13Å
211A43.5Very low58.1Low67 Ų67109.1 Ų109.155%0.55460%0.597SS**SBendtrans-115.149.3-171.900000114.5S208S208-A211 PolarHBondContact O-N 3.25Å; S208-A211 VanDerWaalsContact O-N 3.09Å
212S42.4Very low55.9Low90 Ų90113.1 Ų113.163%0.62962%0.624SS**  trans35.5103.8161.6-166.20000117.8H214S212-H214 PolarHBondContact O-N 2.94Å; S212-H214 VanDerWaalsContact O-N 3.13Å
213P40.4Very low53.4Low124 Ų124114.2 Ų114.281%0.80564%0.639SS**  trans-63.8118.6173.727.3-33.4000110.5K215P213-K215 PolarHBondContact O-N 3.02Å
214H40.6Very low51.1Low173 Ų173115.4 Ų115.480%0.80166%0.661SS**  trans-53.7126.8174.6-98.8-109.9000110.4S212 L216S212-H214 PolarHBondContact O-N 2.94Å; S212-H214 VanDerWaalsContact O-N 3.13Å; H214-L216 PolarHBondContact O-N 3.23Å
215K39.9Very low49.4Very low168 Ų168122.2 Ų122.273%0.7370%0.703SS**  trans-54.1114.8-179.7-74.4-166.9170.4-162.80110.9P213 L217P213-K215 PolarHBondContact O-N 3.02Å; K215-L217 HydrophobicContact CB-CG 4.15Å; K215-L217 HydrophobicContact CD-CG 4.48Å; K215-L217 PolarHBondContact O-N 2.97Å
216L40.5Very low47.2Very low157 Ų157123.9 Ų123.982%0.82272%0.719SS**  trans-68.988.7155.8-67.4178000107.5H214 F218H214-L216 PolarHBondContact O-N 3.23Å; L216-F218 PolarHBondContact O-N 3.24Å
217L37.4Very low45.1Very low123 Ų123125.8 Ų125.864%0.64473%0.733SS**  trans-71.476.2177.1-89.8164000110.8K215K215-L217 HydrophobicContact CB-CG 4.15Å; K215-L217 HydrophobicContact CD-CG 4.48Å; K215-L217 PolarHBondContact O-N 2.97Å
218F41.7Very low43.7Very low191 Ų191126.4 Ų126.484%0.83875%0.748SS**  trans-113.763.4155.6-68.9-74.6000108.1L216 D220L216-F218 PolarHBondContact O-N 3.24Å; F218-D220 PolarHBondContact O-N 2.91Å; F218-D220 VanDerWaalsContact O-N 3.08Å
219D40.1Very low42.7Very low139 Ų139131 Ų13174%0.74378%0.775SS**  trans-70.295.6166-108.4-79.4000107.5
220D40.9Very low42.2Very low159 Ų159127.1 Ų127.185%0.8577%0.767SS**  trans-70.7147.8169.6-157-5.5000109.4F218F218-D220 PolarHBondContact O-N 2.91Å; F218-D220 VanDerWaalsContact O-N 3.08Å
221G38.4Very low41.7Very low56 Ų56128.5 Ų128.558%0.57777%0.769SS**SBendtrans-71.8151.8-159.400000115.2
222T44.1Very low41.5Very low135 Ų135129.1 Ų129.183%0.82878%0.782SS**  trans93.1103164.2-38.30000116.8
223T37.4Very low41.7Very low137 Ų137134 Ų13484%0.8480%0.795SS**  178.1106.3112.737.20000111.5
224A39.4Very low41.8Very low99 Ų99136.7 Ų136.782%0.81879%0.794SS**  trans-171.681.6160.300000113
225V51.8Low41.8Very low144 Ų144136.5 Ų136.587%0.87380%0.798SS**  trans-145143.4157.9-900000109.2
226P42.4Very low41.5Very low125 Ų125133.9 Ų133.981%0.81280%0.801SS**  trans-82.2157.7-167.332.8-36.5000114.1
227S38Very low41.7Very low125 Ų125134 Ų13487%0.87480%0.797SS**  trans-60.1137.7175.9-450000113.7
228A41.6Very low42.1Very low91 Ų91135.6 Ų135.675%0.75281%0.807SS**  -176.6158.912200000113.8
229V47.2Very low42.2Very low134 Ų134134.2 Ų134.281%0.81281%0.808SS**  trans80.4125158-159.80000120.3
230S45.5Very low42.2Very low92 Ų92136 Ų13664%0.64381%0.809SS**  trans63.2102.7154.163.60000123
231N42.1Very low42.4Very low169 Ų169135.5 Ų135.590%0.90481%0.806SS**  45.7104.8110.5-52.2-8.3000119.5
232G39.3Very low42.4Very low81 Ų81140.3 Ų140.384%0.83582%0.818SS**  trans-163.5109.9165.300000112.2
233Q47.8Very low42.4Very low191 Ų191141.9 Ų141.989%0.89382%0.816SS**  trans-72164.3-167.6-58.5170.2-41.800115.1
234K42.7Very low42.5Very low181 Ų181143.8 Ų143.879%0.78782%0.816SS**  trans8882.6138.5-168.4174.6177.8-175.70119.6
235L40.1Very low42.6Very low169 Ų169146.9 Ų146.989%0.88582%0.818SS**  172.5145.3107.6-94.8155.6000112.5
236S34.1Very low42.1Very low114 Ų114147 Ų14780%0.79782%0.819SS**  trans-129.2132.5-179.651.50000111.7
237H44Very low42.1Very low158 Ų158146 Ų14673%0.73182%0.815SS**  trans-163.5102.6161.7-172.4-76.1000111.1
238N45.3Very low42.6Very low158 Ų158143.9 Ų143.985%0.84581%0.805SS**  trans-163.341.2161.2-101.7-17.4000112.5
239D44Very low42.8Very low162 Ų162151 Ų15187%0.86681%0.814SS**  trans-127.571.3173.5-80.1-64.4000110.1
240F39.6Very low43.2Very low176 Ų176150.3 Ų150.377%0.77281%0.813SS**  trans-155.2162.7169.1-144.4-109000112.2
241L45Very low43.3Very low149 Ų149156 Ų15678%0.7882%0.821SS**  trans66.749.8-176.8-52.4-176.7000115.4
242N38.8Very low43.9Very low156 Ų156152 Ų15283%0.83481%0.806SS**SBendtrans-116.2144.5137.8-146.7-26.7000108.4
243Q45.3Very low45.1Very low168 Ų168151.8 Ų151.879%0.78580%0.797SS**SBendtrans71.6152.7-166.2-47.3-17830.300116.8
244Q39.6Very low45.9Very low177 Ų177151.6 Ų151.683%0.82779%0.793SS**  trans53.995.5174.3-58.6-167.72400118.4
245L40.7Very low46.9Very low165 Ų165147.6 Ų147.686%0.86478%0.784SS**  -158.898.1122.7-111.9168.9000110.9S247L245-S247 PolarHBondContact O-N 3.12Å
246T40.5Very low47.7Very low146 Ų146145.2 Ų145.290%0.89678%0.778SS**  trans-86.199.4175.347.80000110.6
247S43.7Very low48.7Very low105 Ų105148.3 Ų148.373%0.73478%0.778SS**  trans-148.7145.5164.859.40000111.2L245L245-S247 PolarHBondContact O-N 3.12Å
248A47.2Very low49.6Very low80 Ų80146.2 Ų146.266%0.66178%0.778SS**  trans-83.7134.9-165.100000113.8
249Y45.9Very low49.4Very low239 Ų239148.6 Ų148.694%0.93778%0.781SS**  trans-157.195.1147.8-83.7-59.1000112.1
250P55.3Low49.6Very low121 Ų121152 Ų15279%0.78678%0.782SS**  trans-95.7111.4168.133.4-27.1000111.1
251Y48.5Very low49.5Very low212 Ų212150.7 Ų150.783%0.83178%0.783SS**  trans-139.376.9166.5-163.5-94.1000111.2A253Y251-A253 HydrophobicContact CE1-CB 4.48Å
252S54.7Low49.8Very low84 Ų84149.3 Ų149.359%0.58778%0.783SS**  trans-90.4119.2168.3-177.60000109.4F254S252-F254 PolarHBondContact O-N 3.27Å
253A64.4Low50Low76 Ų76147 Ų14763%0.62878%0.779SS**THydrogen-bonded Turntrans-78.722-173.300000114.7Y251Y251-A253 HydrophobicContact CE1-CB 4.48Å
254F63.9Low49.8Very low187 Ų187149.3 Ų149.382%0.8279%0.787SS**THydrogen-bonded Turntrans-130.113.3-169.3-69.6-74.3000114.8S252S252-F254 PolarHBondContact O-N 3.27Å
255V65.2Low49.8Very low98 Ų98144.3 Ų144.359%0.59478%0.783SS**  trans-105.7120.1173.9-1720000109.4F257V255-F257 PolarHBondContact O-N 3.29Å
256P56.4Low49.8Very low118 Ų118140.7 Ų140.777%0.76678%0.777SS**PPolyproline II helixtrans-64.2119.2170.1-19.932.8000110.1P258P256-P258 WeakPolarHBondContact O-CD 3.36Å
257F54.2Low50.3Low180 Ų180140.4 Ų140.479%0.78978%0.775SS**PPolyproline II helixtrans-73.6124.8175.4-77.9-89.7000110.4V255 F259V255-F257 PolarHBondContact O-N 3.29Å; F257-F259 PolarHBondContact O-N 2.93Å
258P62.5Low50.2Low114 Ų114141 Ų14174%0.7478%0.776SS**PPolyproline II helixtrans-69.3125.9164.929.2-32000109P256 R260P256-P258 WeakPolarHBondContact O-CD 3.36Å; P258-R260 PolarHBondContact O-N 3.3Å
259F42.2Very low50.1Low207 Ų207142.7 Ų142.791%0.90878%0.783SS**PPolyproline II helixtrans-60.5122174-89.7-98.1000110.1F257F257-F259 PolarHBondContact O-N 2.93Å
260R47.5Very low49.9Very low234 Ų234135.7 Ų135.788%0.88377%0.768SS**  trans-128102.7174.6-153.2178-152.5-109.53.9109.2P258 P262P258-R260 PolarHBondContact O-N 3.3Å; R260-P262 WeakPolarHBondContact O-CD 3.2Å
261N37.6Very low49.1Very low149 Ų149141.5 Ų141.580%0.79778%0.775SS**  trans-60.2129.6179.3-93.72.6000111.8
262P51.9Low48.6Very low120 Ų120138.7 Ų138.778%0.77977%0.774SS**  trans-100.5108.1154.128.8-13.5000109.1R260 F264R260-P262 WeakPolarHBondContact O-CD 3.2Å; P262-F264 PolarHBondContact O-N 3.39Å
263S42.2Very low47.7Very low107 Ų107140.2 Ų140.275%0.74878%0.78SS**  trans-70.8116.6175.5-550000111.1
264F42.2Very low46.7Very low216 Ų216143 Ų14395%0.94779%0.788SS**  trans-170.8126.8149.7-109.2-68.4000113.1P262P262-F264 PolarHBondContact O-N 3.39Å
265G39.4Very low45.5Very low72 Ų72141.2 Ų141.274%0.74279%0.788SS**  trans83123149.300000120.3
266A40Very low44.4Very low90 Ų90142 Ų14274%0.74479%0.793SS**  trans46.791.9148.300000119.7
267V50.4Low43.9Very low139 Ų139144.9 Ų144.984%0.84280%0.801SS**  66.8147.281.5-53.40000117.2
268P43.5Very low43.1Very low119 Ų119140 Ų14077%0.77380%0.802SS**  cis-139.6-158.7-49.141.6-23.6000112.6
269S44Very low42.1Very low114 Ų114138.4 Ų138.480%0.79781%0.805SS**  trans81.3133.2173-163.70000115.8
270C41.1Very low42.1Very low93 Ų93135.9 Ų135.963%0.62880%0.801SS**  cis-145.1154.7-14.146.60000106.6
271W39.2Very low41.8Very low243 Ų243136.1 Ų136.192%0.9280%0.804SS**  -151163.264.8-82.277.8000111.9
272N39Very low42.1Very low152 Ų152136.5 Ų136.581%0.81381%0.805SS**  trans-78.7171.1-177.8-81.4-46.1000113.5
273T35.7Very low41.5Very low117 Ų117136.3 Ų136.372%0.71881%0.807SS**  cis162.7105.1-23.5-78.60000105.4
274V41.7Very low41.5Very low133 Ų133136.5 Ų136.581%0.80681%0.808SS**  trans-165141.3163.5-90.50000106
275N39.5Very low41.5Very low151 Ų151134 Ų13481%0.80780%0.803SS**  cis-132.7164.45.3-100.4-26.6000112.6
276T43.3Very low41.8Very low115 Ų115137.7 Ų137.771%0.70681%0.805SS**  trans-71.4159.4174.343.70000114.6
277L45.7Very low41.9Very low178 Ų178142.6 Ų142.693%0.93281%0.812SS**  trans70142.7167.4-56.3152.2000114.9
278G36.6Very low41.5Very low78 Ų78139.1 Ų139.180%0.80481%0.805SS**  cis151.1114.1-500000111.2
279G40.9Very low41.4Very low79 Ų79140.9 Ų140.981%0.81481%0.807SS**  trans152.7119178.100000113.1
280N41.8Very low41.4Very low155 Ų155142.4 Ų142.483%0.82981%0.806SS**  trans-83.8151.9167.3-45.1-63.7000109
281Y41.4Very low41.5Very low239 Ų239145.1 Ų145.194%0.93781%0.811SS**  trans-159.5151.3132.9-108.6-69.7000111.8
282L45.5Very low41.3Very low156 Ų156144.7 Ų144.782%0.81781%0.811SS**  trans-80.6147.8179.7-66.5152.7000111.5
283S39.1Very low41.7Very low116 Ų116147.4 Ų147.481%0.81181%0.81SS**  trans177.3172.7130.5-82.50000112.8
284S40.5Very low42Very low111 Ų111149.8 Ų149.878%0.77682%0.818SS**  trans70.166.3168.3-52.20000117
285I43.5Very low42.2Very low165 Ų165147.8 Ų147.885%0.84681%0.808SS**  trans-80.5154.2135.7-60.8174.3000106.7
286L45.2Very low42.2Very low149 Ų149148.9 Ų148.978%0.7881%0.813SS**  trans72.1138.2-153.3-64.880.6000111.2
287E42.7Very low42Very low193 Ų193149.4 Ų149.490%0.90282%0.82SS**  cis-119.2154.54.3-65.8178.2117.900112
288G41.6Very low41.5Very low66 Ų66146.7 Ų146.768%0.6882%0.816SS**  trans-152.494.1174.300000111.9
289N42.5Very low41.8Very low155 Ų155151 Ų15183%0.82982%0.819SS**  trans178.2163158.3-99.4-52.2000109.3
290L42.9Very low41.8Very low146 Ų146152.2 Ų152.276%0.76482%0.815SS**  trans64.7140.3179.7-83.264.9000114.4
291M42.7Very low41.8Very low151 Ų151150.1 Ų150.174%0.74481%0.812SS**  cis-130.5136.2-4.8-93.2-64.4-175.100109.9
292Y36Very low42.3Very low234 Ų234144.1 Ų144.192%0.91880%0.803SS**  trans-141.873.8159.4-154-84.2000110.3
293R46.6Very low42.3Very low208 Ų208142.9 Ų142.979%0.78580%0.795SS**  trans-140.7118.8169.1-80.5-166.2171.4-102.9-4.3111.1
294N43.1Very low42.3Very low168 Ų168149.3 Ų149.390%0.89880%0.802SS**  trans-133.5114.7148.6-95.6-50.9000106.1
295P44.8Very low42.3Very low90 Ų90148.4 Ų148.458%0.58480%0.796SS**  trans-139.2138.3130.135.6-23.3000113.4
296L40.6Very low42.3Very low174 Ų174147.6 Ų147.691%0.91180%0.799SS**  trans50.9100.2145.5-59.2171000118.6
297C38.6Very low42.3Very low127 Ų127144.4 Ų144.486%0.85880%0.801SS**  trans-150.8117.9144.354.60000111.6
298S35.3Very low42.3Very low121 Ų121140 Ų14085%0.84680%0.798SS**  trans-87.1135.2162.5-54.80000109
299I43.6Very low42.2Very low169 Ų169142.6 Ų142.687%0.86781%0.806SS**  trans-161.3153.4160.4-102.5145.6000108.5
300S39.6Very low42.5Very low104 Ų104145.2 Ų145.273%0.72781%0.81SS**  trans-81.1146.9-162.7-46.20000115.8
301S41.7Very low42.3Very low110 Ų110143.2 Ų143.277%0.76981%0.808SS**  36.6158.5123-48.20000122.3
302P52.3Low42.3Very low114 Ų114146 Ų14674%0.7482%0.817SS**  cis-140-150.5-36.435.3-12.7000111.9
303I45.8Very low42.5Very low129 Ų129145.8 Ų145.866%0.66281%0.814SS**  trans91.9105.2164.1-54.7166.4000118
304W38.4Very low42.6Very low252 Ų252141.5 Ų141.596%0.95582%0.816SS**  -156.8112.5118.9-81-49.6000107.1
305S42Very low42.5Very low92 Ų92139 Ų13964%0.64381%0.811SS**  90.476.570.5-68.10000114.3
306T43.5Very low43.1Very low148 Ų148140.4 Ų140.491%0.90882%0.821SS**  trans16122.3146.9550000120.3
307G43.6Very low44Very low81 Ų81137.1 Ų137.184%0.83581%0.81SS**  trans-128.7133.1155.100000110
308A43.2Very low44.3Very low102 Ų102137.2 Ų137.284%0.84380%0.801SS**  trans-94.2151.4-162.800000115.2
309S39.2Very low45.4Very low119 Ų119139.4 Ų139.483%0.83280%0.8SS**  trans-78.1145.1177.1480000113.2
310K49.3Very low45.6Very low211 Ų211138.4 Ų138.492%0.91779%0.792SS**  trans-138.7122.7163.8-69.9-170.7178.2-179.70110
311S39Very low46Very low104 Ų104140.8 Ų140.873%0.72780%0.795SS**  trans-87.3143.7174.2175.60000110.2
312F42.4Very low46.3Very low210 Ų210143.8 Ų143.892%0.92180%0.797SS**  trans-151.4143.9148.9-112.3-76000111.3
313R40.3Very low45.9Very low229 Ų229142.8 Ų142.886%0.86479%0.793SS**  trans-106.6141.8175.6-65.5176.5169.6-156.6-1.4110.2
314S47.6Very low46.2Very low118 Ų118146 Ų14683%0.82581%0.805SS**  trans-164.3150.9149.552.60000113.1
315S42.8Very low46.4Very low114 Ų114139.3 Ų139.380%0.79780%0.796SS**  trans-169.1175174-41.70000106.1
316P57.3Low47Very low121 Ų121139.2 Ų139.279%0.78679%0.794SS**  cis-118.2-122.2-31.532.6-10.5000107.1
317P58.8Low47.1Very low105 Ų105141.5 Ų141.568%0.68279%0.791SS**  cis-131.7-179.8-41.537.1-18.8000115.8
318L45.8Very low47.2Very low129 Ų129141.9 Ų141.968%0.67579%0.787SS**  trans72.3109.5141.1-115.3175.5000123.8Q320L318-Q320 HydrophobicContact CD2-CB 3.7Å; L318-Q320 VanDerWaalsContact CD2-OE1 3.31Å
319M58.3Low47.5Very low166 Ų166144.7 Ų144.782%0.81879%0.786SS**  -158.7148.4122.9-69.8-154.380.400107.8L321M319-L321 HydrophobicContact CE-CD1 4.46Å
320Q48Very low47.9Very low149 Ų149144 Ų14470%0.69678%0.778SS**  cis93.482.70-161.8176.9-2200119.5L318L318-Q320 HydrophobicContact CD2-CB 3.7Å; L318-Q320 VanDerWaalsContact CD2-OE1 3.31Å
321L47.8Very low47.3Very low153 Ų153142.9 Ų142.980%0.80177%0.774SS**  trans176.4161.6149.1-96.7154.2000109.1M319M319-L321 HydrophobicContact CE-CD1 4.46Å
322Q46.8Very low47.9Very low174 Ų174143.8 Ų143.881%0.81378%0.781SS**  -146.8163.8-66.4-177.8157.5-40.500110.3
323S43.3Very low48Very low92 Ų92140.4 Ų140.464%0.64377%0.77SS**  trans-74153.4-168.955.50000117.9
324Q53.4Low48.9Very low198 Ų198137.3 Ų137.393%0.92577%0.771SS**  trans-164.4155.2134.7-109.2152111.700114.3
325S41.4Very low48.4Very low110 Ų110138.8 Ų138.877%0.76977%0.77SS**  trans-167.7-171.8178.166.30000107.3
326P54.6Low48.8Very low91 Ų91139.3 Ų139.359%0.59177%0.773SS**  cis-131.7-140-7.343.5-25.5000112.9
327F46.5Very low48.3Very low195 Ų195139.7 Ų139.786%0.85577%0.773SS**  trans81.4144174.5-52.8-69.3000117.3
328A45Very low47.8Very low89 Ų89140.3 Ų140.374%0.73678%0.78SS**  cis-160.1156.3-18.700000114
329I49.6Very low47.6Very low161 Ų161141.6 Ų141.683%0.82679%0.787SS**  trans-53.1177166.137.4165.3000117.1
330P47.4Very low47.1Very low104 Ų104139.7 Ų139.768%0.67579%0.79SS**  cis-141.3-179.9-13.828.8-4.6000117.7
331F38.2Very low47Very low188 Ų188137.9 Ų137.983%0.82579%0.794SS**  trans14.5143.1147.2-72.1-74.6000124.5
332S50.6Low47.1Very low124 Ų124140 Ų14087%0.86780%0.799SS**  trans-142.6157.7136.9-92.60000110.9
333I45.2Very low46.9Very low138 Ų138136.8 Ų136.871%0.70880%0.796SS**  trans-128.3145.3178.2-66.2167.7000107.9
334D58.1Low47.5Very low165 Ų165139.4 Ų139.488%0.88281%0.807SS**  trans-145.9147.8159.1-112.2-41.7000112.8
335N38.6Very low47.2Very low148 Ų148138.1 Ų138.179%0.79181%0.806SS**  trans-114.1144.6178.9-84.9-49.6000110.1
336S50.4Low47.6Very low125 Ų125136.5 Ų136.587%0.87481%0.806SS**  trans-156.4155.4151.547.70000112.5
337V45.9Very low47.4Very low129 Ų129137.3 Ų137.378%0.78281%0.814SS**  trans-113.5144.2-170.9172.10000110.1L339V337-L339 HydrophobicContact CG1-CD1 3.89Å
338S48.6Very low47.7Very low119 Ų119136.1 Ų136.183%0.83281%0.812SS**  trans-143.1132.1156.653.90000111.2
339L42Very low48.1Very low155 Ų155140.1 Ų140.181%0.81282%0.815SS**  trans-98.6147.8167.1-74.386000108.8V337V337-L339 HydrophobicContact CG1-CD1 3.89Å
340S47.6Very low47.9Very low126 Ų126138.1 Ų138.188%0.88181%0.81SS**  trans-143.6127.4160.8-79.30000110.1
341S45.2Very low48.3Very low111 Ų111143.2 Ų143.278%0.77682%0.821SS**  trans-86.9153.8-174.9-43.20000112.1
342H50.6Low48.7Very low199 Ų199142 Ų14292%0.92182%0.818SS**  trans-151.8153.1145.9-115.9-79.8000111.9
343S42.9Very low49.1Very low106 Ų106143.6 Ų143.674%0.74181%0.812SS**  trans-132.7153.8-167.9530000112.2
344V56.4Low49.3Very low146 Ų146143 Ų14389%0.88581%0.806SS**  trans-151.7144.4154.9167.40000108.7
345L45.5Very low48.7Very low172 Ų172145.7 Ų145.790%0.90180%0.804SS**  trans-108.7151.8171-80.8159.7000110.7
346G50.8Low49.3Very low75 Ų75142.4 Ų142.477%0.77380%0.804SS**  trans-152.6146.3172.500000111.1
347S50Low49.4Very low108 Ų108143.4 Ų143.476%0.75580%0.8SS**  trans-139.7167.8-162.7-58.80000113.8
348Q53.3Low49.7Very low171 Ų171144.2 Ų144.280%0.79980%0.799SS**  trans77.6156.9173.5-46.3-177.323.100114.2
349Q52.8Low50Low173 Ų173145.4 Ų145.481%0.80879%0.791SS**  cis-147.2173.515.6-154.3169.275.400112.8
350V45.9Very low50.5Low119 Ų119144.8 Ų144.872%0.72179%0.789SS**  trans-109.5151.3-171.3174.50000112.5
351K56.5Low50.8Low210 Ų210143.7 Ų143.791%0.91378%0.781SS**  trans-152.1145.5159.2-132.5165.2-174.7172.30114.5
352H46.7Very low51.4Low164 Ų164143.1 Ų143.176%0.75977%0.773SS**  trans-117.1154-178.4-89.2-113.6000111.9
353Q57.9Low51.9Low157 Ų157143.1 Ų143.173%0.73477%0.771SS**  trans-179124.4140.7-13256.964.400105.9
354E50.5Low53Low125 Ų125141.5 Ų141.558%0.58476%0.763SS**  58.7143.472.2-85.8-158.413000115.8
355R45.4Very low53.2Low222 Ų222142.5 Ų142.584%0.83876%0.764SS**  cis-169.9163.9-20.2-131.7-175.5-165.6146.1-8.7109.2
356G50Low54Low78 Ų78137.7 Ų137.780%0.80476%0.755SS**  trans94.3160170.900000114.8
357N52.5Low54.3Low147 Ų147146.6 Ų146.679%0.78678%0.784SS**  cis-136163.66.7-164.73.8000111.4
358L53.1Low54.5Low145 Ų145148.5 Ų148.576%0.75979%0.785SS**  trans-82.1169.3179.2-70.8158.7000112.3
359H55.2Low54.6Low144 Ų144147.3 Ų147.367%0.66779%0.785SS**  170126109-84.3100000113.3
360N52Low54.7Low142 Ų142145.9 Ų145.976%0.75978%0.783SS**  trans45.8117.5145.7-59.3-17.7000120.5
361S53.3Low55.2Low103 Ų103147.5 Ų147.572%0.7279%0.787SS**  78.7144.380.9-1530000112.4
362T58.7Low55.1Low99 Ų99143.6 Ų143.661%0.60778%0.779SS**  cis-170.6130.945.9-47.80000112.9
363K60.2Low55.7Low200 Ų200142.2 Ų142.287%0.8778%0.78SS**  trans59.3173.6154.8-70.6172.9-162.8173.30118.6
364A65.4Low55.5Low71 Ų71141.1 Ų141.159%0.58778%0.784SS**  cis-173.4172.4-40.900000109.3
365N60.9Low55.9Low168 Ų168142.4 Ų142.490%0.89880%0.799SS**  trans75141.8172.5-45.6-23.3000115.7
366G62Low56.8Low70 Ų70135.8 Ų135.872%0.72280%0.796SS**  cis141.5134.5-11.500000113.7
367L57.8Low57.4Low262 Ų262141 Ų141100%1.37280%0.795SS**  trans70.30-174.2-59.3170.1000114.5

Retrieved 367 of 367 residues in 63.8 ms (Link to these results)