A0A1S3NPH4_SALSA Loading...

PI-PLC X domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A1S3NPH4, Species SALSA (Salmo salar, Atlantic salmon), Gene LOC106580623, Length 322 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
1M35.3Very low42.5Very low253 Ų253141.3 Ų141.3100%1.24679%0.792SS**  097.60-68.6-171.5-166.300107.7
2A28.4Very low46.9Very low99 Ų99134.3 Ų134.382%0.81875%0.746SS**  trans-123.7111.5165.900000104.5S4A2-S4 PolarHBondContact O-N 3.48Å; A2-S4 VanDerWaalsContact O-N 3.1Å
3S32.9Very low50.8Low95 Ų95124.2 Ų124.266%0.66469%0.692SS**  trans-62.6105.9176.5164.50000108H5S3-H5 VanDerWaalsContact C-N 3.34Å; S3-H5 PolarHBondContact O-N 3.48Å; S3-H5 PolarHBondContact O-ND1 3.18Å; S3-H5 PolarHBondContact OG-CE1 2.83Å; S3-H5 PolarHBondContact OG-ND1 2.8Å
4S32.3Very low54.1Low111 Ų111119.9 Ų119.978%0.77667%0.667SS**  trans-68.1100.8160.658.70000106.4A2 G6A2-S4 PolarHBondContact O-N 3.48Å; A2-S4 VanDerWaalsContact O-N 3.1Å; S4-G6 PolarHBondContact O-N 3.06Å
5H35.1Very low57.1Low165 Ų165112.3 Ų112.376%0.76462%0.624SS**  trans-59.396.9161.9-75.145.9000106.4S3 K7S3-H5 VanDerWaalsContact C-N 3.34Å; S3-H5 PolarHBondContact O-N 3.48Å; S3-H5 PolarHBondContact O-ND1 3.18Å; S3-H5 PolarHBondContact OG-CE1 2.83Å; S3-H5 PolarHBondContact OG-ND1 2.8Å; H5-K7 PolarHBondContact O-N 3.5Å
6G34.2Very low59.6Low68 Ų68105.3 Ų105.370%0.70159%0.585SS**  trans-59.1108.7166.400000106.1S4 S8S4-G6 PolarHBondContact O-N 3.06Å; G6-S8 PolarHBondContact O-N 3.42Å
7K36.3Very low61.9Low198 Ų198100.2 Ų100.286%0.86156%0.56SS**  trans-53.9116.5161-72.9-178.7175.8-177.40104.7H5 E9H5-K7 PolarHBondContact O-N 3.5Å; K7-E9 VanDerWaalsContact C-N 3.34Å; K7-E9 PolarHBondContact O-N 3.33Å
8S45.8Very low63.8Low110 Ų110101 Ų10177%0.76956%0.562SS**  trans-57.510716751.60000105.6G6G6-S8 PolarHBondContact O-N 3.42Å
9E54.4Low65.6Low162 Ų16295.9 Ų95.976%0.75753%0.534SS*.  trans-53.7129.1170.6-74.8179165.400107K7 R11K7-E9 VanDerWaalsContact C-N 3.34Å; K7-E9 PolarHBondContact O-N 3.33Å; E9-R11 PolarHBondContact O-N 3.1Å
10P54.7Low67.1Low90 Ų9092.5 Ų92.558%0.58452%0.516SS*.  trans-57.6119.1177.822-30.2000108.1F12P10-F12 HydrophobicContact CB-CE2 3.79Å; P10-F12 HydrophobicContact CB-CZ 3.88Å; P10-F12 HydrophobicContact CG-CE2 3.79Å; P10-F12 HydrophobicContact CG-CZ 4.13Å; P10-F12 WeakPolarHBondContact O-CD2 3.27Å; P10-F12 PolarHBondContact O-N 2.86Å
11R78.6Confident68.4Low203 Ų20396 Ų9677%0.76653%0.529SS*.  trans-85113.8176.1-67-171.4-177.1-174.9-1.9107.8E9 A13E9-R11 PolarHBondContact O-N 3.1Å; R11-A13 PolarHBondContact O-N 3.04Å
12F95.2Very high71.1Confident57 Ų5786.7 Ų86.725%0.2549%0.488CS..  trans-94.930.4171.7-60.8-77.5000109.9P10 D14 W15 E89 A90 R93 S305 I308P10-F12 HydrophobicContact CB-CE2 3.79Å; P10-F12 HydrophobicContact CB-CZ 3.88Å; P10-F12 HydrophobicContact CG-CE2 3.79Å; P10-F12 HydrophobicContact CG-CZ 4.13Å; P10-F12 WeakPolarHBondContact O-CD2 3.27Å; P10-F12 PolarHBondContact O-N 2.86Å; F12-D14 PolarHBondContact O-N 2.98Å; F12-W15 HydrophobicContact CB-CB 4.19Å; F12-W15 PolarHBondContact O-N 3.06Å; F12-E89 PolarHBondContact N-O 2.92Å; F12-E89 VanDerWaalsContact N-O 3.13Å; F12-A90 WeakPolarHBondContact CB-O 3.35Å; F12-A90 WeakPolarHBondContact CD2-O 3.44Å; F12-R93 PolarHBondContact O-NH2 3.02Å; F12-S305 VanDerWaalsContact CZ-CB 3.5Å; F12-I308 HydrophobicContact CB-CD1 3.72Å; F12-I308 HydrophobicContact CD1-CD1 3.98Å; F12-I308 HydrophobicContact CD2-CD1 4.47Å; F12-I308 HydrophobicContact CG-CD1 3.81Å
13A96.8Very high74.3Confident4 Ų482 Ų823%0.03345%0.449CS..THydrogen-bonded Turntrans-61.2-27.1-175.700000112.9R11 E89 R93 F131 E138R11-A13 PolarHBondContact O-N 3.04Å; A13-E89 PolarHBondContact N-O 3.31Å; A13-R93 PolarHBondContact O-NH2 3.18Å; A13-F131 HydrophobicContact CB-CE2 4.26Å; A13-F131 WeakPolarHBondContact O-CZ 3.47Å; A13-E138 VanDerWaalsContact O-CG 3.28Å; A13-E138 WeakPolarHBondContact O-CG 3.2Å
14D97.9Very high77.4Confident64 Ų6478.9 Ų78.934%0.34242%0.424SS..THydrogen-bonded Turntrans-120.330.4-178.7-61.2-80000112.2F12 M16 A17 N18 H135 E138F12-D14 PolarHBondContact O-N 2.98Å; D14-M16 VanDerWaalsContact C-N 3.34Å; D14-M16 PolarHBondContact O-N 3.47Å; D14-A17 HydrophobicContact CB-CB 4.38Å; D14-A17 PolarHBondContact O-N 2.83Å; D14-N18 WeakPolarHBondContact O-CB 3.5Å; D14-N18 VanDerWaalsContact O-CG 3.26Å; D14-N18 PolarHBondContact O-N 3.19Å; D14-N18 PolarHBondContact O-ND2 3.37Å; D14-H135 VanDerWaalsContact CG-ND1 3.27Å; D14-H135 IonicContact OD1-CE1 3.75Å; D14-H135 IonicContact OD1-CG 3.65Å; D14-H135 IonicContact OD1-ND1 2.75Å; D14-H135 PolarHBondContact OD1-ND1 3.29Å; D14-H135 IonicContact OD2-CE1 3.5Å; D14-H135 IonicContact OD2-ND1 3.27Å; D14-H135 PolarHBondContact OD2-ND1 2.9Å; D14-E138 WeakPolarHBondContact CA-OE1 3.17Å
15W98Very high80.4Confident6 Ų677.1 Ų77.12%0.02341%0.412CS..THydrogen-bonded Turntrans-66.8-32.8-169.777.4-96.3000113.4F12 N18 L19 A32 I33 P34 G91 R93 I308 N311F12-W15 HydrophobicContact CB-CB 4.19Å; F12-W15 PolarHBondContact O-N 3.06Å; W15-N18 PolarHBondContact O-N 3.21Å; W15-L19 HydrophobicContact CE3-CD1 4.29Å; W15-L19 HydrophobicContact CE3-CD2 4.18Å; W15-L19 HydrophobicContact CE3-CG 4.16Å; W15-L19 HydrophobicContact CZ3-CD1 3.87Å; W15-L19 HydrophobicContact CZ3-CD2 4.19Å; W15-L19 HydrophobicContact CZ3-CG 4.2Å; W15-L19 PolarHBondContact O-N 3.06Å; W15-A32 WeakPolarHBondContact CH2-O 2.91Å; W15-I33 HydrophobicContact CH2-CG1 4.27Å; W15-I33 HydrophobicContact CZ2-CG2 4.43Å; W15-P34 HydrophobicContact CZ2-CG 4.44Å; W15-G91 PolarHBondContact NE1-O 3.26Å; W15-R93 HydrophobicContact CZ2-CG 4.07Å; W15-I308 HydrophobicContact CB-CD1 4.05Å; W15-I308 HydrophobicContact CB-CG2 4.22Å; W15-I308 HydrophobicContact CD2-CD1 4.01Å; W15-I308 HydrophobicContact CD2-CG1 3.87Å; W15-I308 HydrophobicContact CD2-CG2 4.2Å; W15-I308 HydrophobicContact CE3-CG1 4.2Å; W15-I308 HydrophobicContact CE3-CG2 3.94Å; W15-I308 HydrophobicContact CG-CD1 3.65Å; W15-I308 HydrophobicContact CG-CG1 4.07Å; W15-I308 HydrophobicContact CG-CG2 4.34Å; W15-N311 WeakPolarHBondContact CZ3-ND2 3.41Å
16M98.5Very high83.3Confident0 Ų071.2 Ų71.20%039%0.385CS..THydrogen-bonded Turntrans-69.7-41.1177.4-66.9178.9154.200110.6D14 N18 L19 I33 R93 E138 V139 F141 L181D14-M16 VanDerWaalsContact C-N 3.34Å; D14-M16 PolarHBondContact O-N 3.47Å; M16-N18 PolarHBondContact O-N 3.31Å; M16-L19 PolarHBondContact O-N 3.35Å; M16-I33 HydrophobicContact CE-CD1 4.42Å; M16-I33 HydrophobicContact CE-CG1 4.5Å; M16-I33 HydrophobicContact CE-CG2 4.43Å; M16-R93 HydrophobicContact CE-CB 3.83Å; M16-R93 HydrophobicContact CE-CG 3.73Å; M16-R93 HydrophobicContact SD-CG 4.02Å; M16-E138 WeakPolarHBondContact CB-OE1 3.08Å; M16-E138 PolarHBondContact N-OE1 3.31Å; M16-E138 VanDerWaalsContact N-OE1 3.08Å; M16-E138 PolarHBondContact N-OE2 3.13Å; M16-V139 HydrophobicContact SD-CB 3.92Å; M16-V139 PolarHBondContact SD-N 3.33Å; M16-F141 HydrophobicContact CE-CE2 4.29Å; M16-L181 HydrophobicContact CB-CD1 4.21Å; M16-L181 HydrophobicContact CB-CD2 4.03Å; M16-L181 HydrophobicContact CG-CD2 4.35Å; M16-L181 HydrophobicContact SD-CD2 4.05Å
17A97.8Very high86.3Confident19 Ų1969.6 Ų69.616%0.15736%0.362CS..THydrogen-bonded Turntrans-62.2-31.1174.900000113.1D14 R137 E138D14-A17 HydrophobicContact CB-CB 4.38Å; D14-A17 PolarHBondContact O-N 2.83Å; A17-R137 HydrophobicContact CB-CB 3.61Å; A17-E138 PolarHBondContact N-OE1 2.76Å
18N96.9Very high89.2Confident114 Ų11460.1 Ų60.161%0.6132%0.321SS*.THydrogen-bonded Turntrans-91.4-0.9-178.1-69.8-46.4000114D14 W15 M16D14-N18 WeakPolarHBondContact O-CB 3.5Å; D14-N18 VanDerWaalsContact O-CG 3.26Å; D14-N18 PolarHBondContact O-N 3.19Å; D14-N18 PolarHBondContact O-ND2 3.37Å; W15-N18 PolarHBondContact O-N 3.21Å; M16-N18 PolarHBondContact O-N 3.31Å
19L97Very high91.6Very high5 Ų555.2 Ų55.23%0.02629%0.286CS..SBendtrans-60.2152.4170.2-72.7176.3000110.3W15 M16 M23 H24 L31 L181 N311 Y312W15-L19 HydrophobicContact CE3-CD1 4.29Å; W15-L19 HydrophobicContact CE3-CD2 4.18Å; W15-L19 HydrophobicContact CE3-CG 4.16Å; W15-L19 HydrophobicContact CZ3-CD1 3.87Å; W15-L19 HydrophobicContact CZ3-CD2 4.19Å; W15-L19 HydrophobicContact CZ3-CG 4.2Å; W15-L19 PolarHBondContact O-N 3.06Å; M16-L19 PolarHBondContact O-N 3.35Å; L19-M23 HydrophobicContact CB-CB 4.27Å; L19-M23 HydrophobicContact CD1-CE 4.29Å; L19-M23 HydrophobicContact CD2-CE 4.33Å; L19-M23 HydrophobicContact CD2-SD 4.07Å; L19-H24 PolarHBondContact O-NE2 3.23Å; L19-L31 HydrophobicContact CD1-CD1 4.11Å; L19-L181 HydrophobicContact CD1-CD1 3.76Å; L19-N311 HydrophobicContact CD2-CB 3.75Å; L19-Y312 HydrophobicContact CD2-CE2 4.16Å
20P95.4Very high93.6Very high26 Ų2649.1 Ų49.117%0.16926%0.259CS..  trans-57.1149173.7-22.733000112.8S22 M23 H24 Y312 E315P20-S22 PolarHBondContact O-N 3.08Å; P20-M23 HydrophobicContact CB-CG 4.4Å; P20-M23 HydrophobicContact CG-CG 4.47Å; P20-M23 HydrophobicContact CG-SD 4.43Å; P20-M23 WeakPolarHBondContact O-CA 3.4Å; P20-M23 VanDerWaalsContact O-CB 3.32Å; P20-M23 WeakPolarHBondContact O-CB 3.32Å; P20-M23 PolarHBondContact O-N 3.37Å; P20-H24 PolarHBondContact O-CD2 3.39Å; P20-H24 VanDerWaalsContact O-CD2 3.24Å; P20-H24 PolarHBondContact O-NE2 3.24Å; P20-Y312 HydrophobicContact CG-CD1 4.23Å; P20-Y312 HydrophobicContact CG-CE1 4.17Å; P20-E315 WeakPolarHBondContact CB-OE1 3.5Å; P20-E315 VanDerWaalsContact CG-CD 3.46Å; P20-E315 HydrophobicContact CG-CG 4.5Å; P20-E315 WeakPolarHBondContact CG-OE1 3.28Å; P20-E315 WeakPolarHBondContact CG-OE2 3.34Å
21E94.8Very high95.6Very high168 Ų16844.8 Ų44.879%0.78523%0.231SC*.Hα-helixtrans-59.2-33.8-178.1-69.1-174.7174.400112.9M23 H24E21-M23 PolarHBondContact O-N 3.35Å; E21-M23 VanDerWaalsContact O-N 3.14Å; E21-H24 WeakPolarHBondContact O-CB 3.4Å; E21-H24 PolarHBondContact O-N 3.05Å
22S93.2Very high96.6Very high56 Ų5635.1 Ų35.139%0.39220%0.195SC..Hα-helixtrans-53.9-31.5173.255.90000112.2P20 E315P20-S22 PolarHBondContact O-N 3.08Å; S22-E315 PolarHBondContact OG-OE1 2.94Å
23M94.6Very high96.7Very high2 Ų232.4 Ų32.41%0.0118%0.183CC..Hα-helixtrans-85.2-16.3-179.1-61.6-161.457.200114.2L19 P20 E21 S25 I26 L31 N311 M314L19-M23 HydrophobicContact CB-CB 4.27Å; L19-M23 HydrophobicContact CD1-CE 4.29Å; L19-M23 HydrophobicContact CD2-CE 4.33Å; L19-M23 HydrophobicContact CD2-SD 4.07Å; P20-M23 HydrophobicContact CB-CG 4.4Å; P20-M23 HydrophobicContact CG-CG 4.47Å; P20-M23 HydrophobicContact CG-SD 4.43Å; P20-M23 WeakPolarHBondContact O-CA 3.4Å; P20-M23 VanDerWaalsContact O-CB 3.32Å; P20-M23 WeakPolarHBondContact O-CB 3.32Å; P20-M23 PolarHBondContact O-N 3.37Å; E21-M23 PolarHBondContact O-N 3.35Å; E21-M23 VanDerWaalsContact O-N 3.14Å; M23-S25 VanDerWaalsContact C-N 3.27Å; M23-S25 PolarHBondContact O-N 2.78Å; M23-I26 HydrophobicContact CB-CD1 4.35Å; M23-I26 HydrophobicContact CG-CD1 4.23Å; M23-I26 WeakPolarHBondContact O-CB 3.36Å; M23-I26 PolarHBondContact O-N 3.38Å; M23-L31 HydrophobicContact CE-CD2 3.33Å; M23-N311 HydrophobicContact CE-CB 3.56Å; M23-N311 HydrophobicContact SD-CB 4Å; M23-M314 HydrophobicContact CE-CE 3.12Å; M23-M314 HydrophobicContact SD-CE 4.12Å
24H97.2Very high96.8Very high29 Ų2932.2 Ų32.213%0.13418%0.181CC..Hα-helixtrans-68.7-28.8-174.5-62.4170.8000112.5L19 P20 E21 S180 L181 Q182 W185L19-H24 PolarHBondContact O-NE2 3.23Å; P20-H24 PolarHBondContact O-CD2 3.39Å; P20-H24 VanDerWaalsContact O-CD2 3.24Å; P20-H24 PolarHBondContact O-NE2 3.24Å; E21-H24 WeakPolarHBondContact O-CB 3.4Å; E21-H24 PolarHBondContact O-N 3.05Å; H24-S180 WeakPolarHBondContact O-CB 3.37Å; H24-L181 PolarHBondContact O-N 3.14Å; H24-Q182 HydrophobicContact CB-CB 4.34Å; H24-Q182 WeakPolarHBondContact O-CB 3.48Å; H24-Q182 PolarHBondContact O-N 2.91Å; H24-W185 HydrophobicContact CB-CZ3 4.19Å; H24-W185 AromaticContact CD2-CH2 3.82Å; H24-W185 AromaticContact CE1-CH2 3.95Å; H24-W185 AromaticContact CE1-CZ3 3.81Å; H24-W185 AromaticContact CG-CH2 3.9Å; H24-W185 AromaticContact CG-CZ3 3.65Å; H24-W185 AromaticContact ND1-CH2 3.99Å; H24-W185 AromaticContact ND1-CZ3 3.48Å; H24-W185 WeakPolarHBondContact ND1-CZ3 3.4Å; H24-W185 AromaticContact NE2-CH2 3.85Å
25S96.8Very high96.8Very high73 Ų7329.2 Ų29.251%0.5117%0.165SC..THydrogen-bonded Turntrans-90.2-9.9177.964.90000113.6M23M23-S25 VanDerWaalsContact C-N 3.27Å; M23-S25 PolarHBondContact O-N 2.78Å
26I95.4Very high96.7Very high42 Ų4228.9 Ų28.922%0.21516%0.164CC..SBendtrans-67.4136.4176.7-62.8-179.7000109.1M23 L28 N30 L31 S180 M314M23-I26 HydrophobicContact CB-CD1 4.35Å; M23-I26 HydrophobicContact CG-CD1 4.23Å; M23-I26 WeakPolarHBondContact O-CB 3.36Å; M23-I26 PolarHBondContact O-N 3.38Å; I26-L28 PolarHBondContact O-N 3.27Å; I26-N30 HydrophobicContact CG2-CB 3.64Å; I26-L31 HydrophobicContact CB-CD2 4.31Å; I26-L31 HydrophobicContact CG2-CD2 4.04Å; I26-S180 WeakPolarHBondContact O-CB 3.29Å; I26-M314 HydrophobicContact CD1-CE 4.04Å
27P96.5Very high96.4Very high33 Ų3329.5 Ų29.521%0.21417%0.167CC..BIsolated β-bridgetrans-55.9138.4174.7-25.734.7000111.2T29 N30 Q177 V179P27-T29 PolarHBondContact O-N 2.88Å; P27-T29 VanDerWaalsContact O-N 3.11Å; P27-N30 WeakPolarHBondContact O-CA 3.49Å; P27-N30 WeakPolarHBondContact O-CB 3.47Å; P27-N30 PolarHBondContact O-N 3.19Å; P27-Q177 VanDerWaalsContact CG-O 3.26Å; P27-Q177 WeakPolarHBondContact CG-O 3.35Å; P27-V179 CarbonylContact C-O 3.57Å; P27-V179 WeakPolarHBondContact CA-O 3.37Å
28L97.8Very high95.8Very high0 Ų028.9 Ų28.90%016%0.161CC..G310 helixtrans-60.9-24.2178.9-69.3-171.6000112.6I26 N30 L31 V139 F141 V179 L181 L184 F242 N291I26-L28 PolarHBondContact O-N 3.27Å; L28-N30 PolarHBondContact O-N 2.88Å; L28-L31 HydrophobicContact CD2-CD1 3.55Å; L28-L31 HydrophobicContact CD2-CG 4.34Å; L28-L31 PolarHBondContact O-N 2.94Å; L28-V139 HydrophobicContact CD1-CG1 4.43Å; L28-F141 HydrophobicContact CB-CZ 4.2Å; L28-F141 HydrophobicContact CD1-CE2 4.41Å; L28-F141 HydrophobicContact CD1-CZ 3.68Å; L28-V179 HydrophobicContact CD1-CG1 3.74Å; L28-V179 HydrophobicContact CG-CG1 4.16Å; L28-V179 PolarHBondContact N-O 2.75Å; L28-L181 HydrophobicContact CD2-CD2 3.77Å; L28-L181 HydrophobicContact CD2-CG 3.71Å; L28-L184 HydrophobicContact CD1-CD1 3.5Å; L28-L184 VanDerWaalsContact CD1-CD1 3.5Å; L28-F242 HydrophobicContact CB-CE1 3.78Å; L28-F242 HydrophobicContact CB-CZ 4.34Å; L28-N291 PolarHBondContact O-ND2 2.74Å
29T96.6Very high94.9Very high6 Ų623.4 Ų23.44%0.03713%0.131CC..G310 helixtrans-59.1-23.6169.559.50000111.7P27 A176 R236 F242 N291P27-T29 PolarHBondContact O-N 2.88Å; P27-T29 VanDerWaalsContact O-N 3.11Å; T29-A176 HydrophobicContact CG2-CB 3.83Å; T29-R236 PolarHBondContact O-NH2 2.82Å; T29-F242 HydrophobicContact CG2-CD1 3.78Å; T29-F242 HydrophobicContact CG2-CD2 4.42Å; T29-F242 HydrophobicContact CG2-CE1 3.82Å; T29-F242 HydrophobicContact CG2-CE2 4.48Å; T29-F242 HydrophobicContact CG2-CG 4.08Å; T29-F242 HydrophobicContact CG2-CZ 4.19Å; T29-N291 VanDerWaalsContact O-CB 3.3Å; T29-N291 WeakPolarHBondContact O-CB 3.35Å; T29-N291 VanDerWaalsContact O-CG 3.25Å; T29-N291 PolarHBondContact O-ND2 2.79Å
30N95.9Very high94Very high34 Ų3423.5 Ų23.518%0.18213%0.132CC..G310 helixtrans-102.76.5-174.9-67.22.2000112.7I26 P27 L28 P285 G286 E287I26-N30 HydrophobicContact CG2-CB 3.64Å; P27-N30 WeakPolarHBondContact O-CA 3.49Å; P27-N30 WeakPolarHBondContact O-CB 3.47Å; P27-N30 PolarHBondContact O-N 3.19Å; L28-N30 PolarHBondContact O-N 2.88Å; N30-P285 WeakPolarHBondContact O-CB 3.45Å; N30-G286 PolarHBondContact O-N 3.03Å; N30-G286 VanDerWaalsContact O-N 3.15Å; N30-E287 PolarHBondContact OD1-N 3.24Å
31L97.4Very high92.5Very high0 Ų022.5 Ų22.50%013%0.125CC..SBendtrans-96.2150.2173.8-59.2-169.2000111.6L19 M23 I26 L28 I33 L181 N291 M314L19-L31 HydrophobicContact CD1-CD1 4.11Å; M23-L31 HydrophobicContact CE-CD2 3.33Å; I26-L31 HydrophobicContact CB-CD2 4.31Å; I26-L31 HydrophobicContact CG2-CD2 4.04Å; L28-L31 HydrophobicContact CD2-CD1 3.55Å; L28-L31 HydrophobicContact CD2-CG 4.34Å; L28-L31 PolarHBondContact O-N 2.94Å; L31-I33 HydrophobicContact CB-CD1 4.43Å; L31-I33 HydrophobicContact CB-CG1 4.15Å; L31-L181 HydrophobicContact CD1-CD1 4.13Å; L31-L181 HydrophobicContact CD1-CG 4.31Å; L31-N291 CarbonylContact O-C 3.27Å; L31-N291 VanDerWaalsContact O-CA 3.24Å; L31-N291 WeakPolarHBondContact O-CA 3.33Å; L31-N291 PolarHBondContact O-ND2 3.26Å; L31-M314 HydrophobicContact CD2-CE 4.26Å
32A98.1Very high90.7Very high0 Ų016.5 Ų16.50%010%0.097CC..  trans-81.6117.5167.100000109.6W15 P285 I290 N291 V307 L310 N311W15-A32 WeakPolarHBondContact CH2-O 2.91Å; A32-P285 HydrophobicContact CB-CB 3.98Å; A32-P285 HydrophobicContact CB-CG 4.23Å; A32-I290 HydrophobicContact CB-CD1 3.52Å; A32-N291 CarbonylContact C-O 3.48Å; A32-N291 WeakPolarHBondContact CA-O 3.42Å; A32-V307 HydrophobicContact CB-CG1 4.07Å; A32-V307 VanDerWaalsContact CB-O 3.28Å; A32-V307 WeakPolarHBondContact CB-O 3.44Å; A32-L310 HydrophobicContact CB-CB 3.72Å; A32-L310 HydrophobicContact CB-CD1 4.26Å; A32-N311 PolarHBondContact N-OD1 3.42Å; A32-N311 PolarHBondContact O-ND2 3.43Å
33I98.7Very high88.7Confident0 Ų019.8 Ų19.80%010%0.101CC..EExtended strand (participates in β ladder)trans-123.6120.3-174.2-58.2174.1000109.5W15 M16 L31 R93 F94 F141 N291 I292 I293W15-I33 HydrophobicContact CH2-CG1 4.27Å; W15-I33 HydrophobicContact CZ2-CG2 4.43Å; M16-I33 HydrophobicContact CE-CD1 4.42Å; M16-I33 HydrophobicContact CE-CG1 4.5Å; M16-I33 HydrophobicContact CE-CG2 4.43Å; L31-I33 HydrophobicContact CB-CD1 4.43Å; L31-I33 HydrophobicContact CB-CG1 4.15Å; I33-R93 HydrophobicContact CG2-CB 3.89Å; I33-F94 HydrophobicContact CG2-CB 4.49Å; I33-F141 HydrophobicContact CD1-CE2 3.65Å; I33-F141 HydrophobicContact CD1-CZ 3.71Å; I33-N291 PolarHBondContact N-O 3.18Å; I33-I292 HydrophobicContact CB-CG1 3.93Å; I33-I292 HydrophobicContact CD1-CG1 4.32Å; I33-I292 HydrophobicContact CG2-CG1 4.33Å; I33-I292 WeakPolarHBondContact O-CA 3.5Å; I33-I293 PolarHBondContact O-N 3.22Å
34P98.4Very high86.8Confident0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-71.4130.4174.530.6-35.9000110.7W15 G91 R93 F94 F303 V304 V307 I308W15-P34 HydrophobicContact CZ2-CG 4.44Å; P34-G91 WeakPolarHBondContact CG-O 3.26Å; P34-R93 PolarHBondContact O-N 2.92Å; P34-F94 PolarHBondContact O-N 3.13Å; P34-F303 HydrophobicContact CB-CE1 4.32Å; P34-V304 HydrophobicContact CB-CB 4.48Å; P34-V304 HydrophobicContact CB-CG1 3.95Å; P34-V304 HydrophobicContact CG-CG1 3.91Å; P34-V307 HydrophobicContact CB-CB 4.17Å; P34-V307 HydrophobicContact CB-CG1 4.21Å; P34-I308 HydrophobicContact CG-CD1 4.31Å; P34-I308 HydrophobicContact CG-CG1 3.97Å
35G98Very high84.7Confident0 Ų020.7 Ų20.70%011%0.107CC..EExtended strand (participates in β ladder)trans-127.5158.6176.200000112.8F94 I293 T294 A295G35-F94 CarbonylContact C-O 3.5Å; G35-F94 WeakPolarHBondContact CA-O 3.44Å; G35-I293 PolarHBondContact N-O 3.43Å; G35-T294 WeakPolarHBondContact O-CA 3.43Å; G35-A295 PolarHBondContact O-N 3Å
36S95.9Very high82.4Confident0 Ų022.8 Ų22.80%011%0.109CC..EExtended strand (participates in β ladder)trans-104.4134171.149.20000110.3S39 Q87 F94 F95 D96S36-S39 PolarHBondContact O-OG 2.96Å; S36-S39 WeakPolarHBondContact OG-CB 3.32Å; S36-S39 PolarHBondContact OG-OG 3.28Å; S36-Q87 PolarHBondContact OG-OE1 3.36Å; S36-F94 PolarHBondContact N-O 3.01Å; S36-F94 PolarHBondContact OG-O 3.09Å; S36-F95 WeakPolarHBondContact OG-CD1 3.35Å; S36-D96 PolarHBondContact O-N 3.47Å
37H92.4Very high80.3Confident13 Ų1325.4 Ų25.46%0.0613%0.131CC..THydrogen-bonded Turntrans-84.2139.6170.4168.1-104.8000110.1S39 T79 Q80 D96 V248 A295 D296H37-S39 PolarHBondContact O-N 3.02Å; H37-T79 PolarHBondContact O-OG1 3.43Å; H37-Q80 PolarHBondContact O-NE2 2.9Å; H37-D96 IonicContact CD2-OD2 2.67Å; H37-D96 PolarHBondContact CD2-OD2 3.42Å; H37-V248 HydrophobicContact CB-CG1 3.75Å; H37-A295 PolarHBondContact N-O 2.97Å; H37-A295 VanDerWaalsContact N-O 3.14Å; H37-D296 IonicContact CE1-OD1 2.96Å; H37-D296 IonicContact CG-OD1 2.79Å; H37-D296 IonicContact ND1-OD1 2.82Å; H37-D296 PolarHBondContact ND1-OD1 2.67Å
38D85.1Confident78.3Confident5 Ų524 Ų243%0.02712%0.122CC..THydrogen-bonded Turntrans45.749.1-176-82.7-42.7000112F40 S41 T79 D96 R98 H114D38-F40 PolarHBondContact O-N 3.48Å; D38-S41 WeakPolarHBondContact O-CB 3.33Å; D38-S41 PolarHBondContact O-N 3.07Å; D38-S41 PolarHBondContact O-OG 3.4Å; D38-T79 HydrophobicContact CB-CG2 3.89Å; D38-T79 VanDerWaalsContact CB-OG1 3.23Å; D38-T79 WeakPolarHBondContact CB-OG1 3.32Å; D38-T79 PolarHBondContact O-OG1 3.39Å; D38-D96 PolarHBondContact N-OD2 3.31Å; D38-R98 VanDerWaalsContact CG-CZ 3.43Å; D38-R98 WeakPolarHBondContact OD1-CD 3.43Å; D38-R98 IonicContact OD1-CZ 3.03Å; D38-R98 IonicContact OD1-NE 3.36Å; D38-R98 PolarHBondContact OD1-NE 2.98Å; D38-R98 IonicContact OD1-NH1 3.78Å; D38-R98 PolarHBondContact OD1-NH1 3.32Å; D38-R98 IonicContact OD1-NH2 2.72Å; D38-R98 PolarHBondContact OD1-NH2 2.91Å; D38-R98 IonicContact OD2-CZ 3.91Å; D38-R98 VanDerWaalsContact OD2-CZ 3.26Å; D38-R98 IonicContact OD2-NH1 3.54Å; D38-R98 PolarHBondContact OD2-NH1 2.99Å; D38-R98 IonicContact OD2-NH2 3.96Å; D38-R98 PolarHBondContact OD2-NH2 2.82Å; D38-H114 HydrophobicContact CB-CB 4.4Å; D38-H114 IonicContact OD1-CD2 3.98Å; D38-H114 IonicContact OD1-CG 3.81Å; D38-H114 IonicContact OD2-CD2 3.03Å; D38-H114 PolarHBondContact OD2-CD2 2.8Å; D38-H114 VanDerWaalsContact OD2-CD2 3.24Å; D38-H114 IonicContact OD2-CE1 3.57Å; D38-H114 PolarHBondContact OD2-CE1 2.96Å; D38-H114 IonicContact OD2-CG 3.58Å; D38-H114 IonicContact OD2-ND1 3.98Å; D38-H114 IonicContact OD2-NE2 2.75Å; D38-H114 PolarHBondContact OD2-NE2 3.44Å; D38-H114 VanDerWaalsContact OD2-NE2 3.12Å
39S78.8Confident76.2Confident0 Ų027.2 Ų27.20%014%0.143CC..THydrogen-bonded Turntrans-51-34.4-154.3-51.40000115.5S36 H37 Q80 Q87 F95 D96S36-S39 PolarHBondContact O-OG 2.96Å; S36-S39 WeakPolarHBondContact OG-CB 3.32Å; S36-S39 PolarHBondContact OG-OG 3.28Å; H37-S39 PolarHBondContact O-N 3.02Å; S39-Q80 WeakPolarHBondContact O-CG 3.48Å; S39-Q87 PolarHBondContact O-NE2 3.14Å; S39-F95 WeakPolarHBondContact OG-CA 3.37Å; S39-D96 WeakPolarHBondContact CB-O 3.15Å; S39-D96 PolarHBondContact N-O 3.39Å; S39-D96 PolarHBondContact OG-N 3.25Å; S39-D96 PolarHBondContact OG-O 3.48Å
40F76.4Confident74.4Confident6 Ų628.5 Ų28.53%0.02615%0.15CC..THydrogen-bonded Turntrans-112.426.4-171.9-53.3-39000113.4D38 F42 F84 F95 L97 F112 S118 I128D38-F40 PolarHBondContact O-N 3.48Å; F40-F42 HydrophobicContact CB-CD1 4.33Å; F40-F42 HydrophobicContact CB-CE1 3.99Å; F40-F42 HydrophobicContact CD1-CD1 4.25Å; F40-F42 AromaticContact CD1-CE1 3.84Å; F40-F42 HydrophobicContact CD1-CE1 3.84Å; F40-F42 HydrophobicContact CG-CE1 4.28Å; F40-F42 PolarHBondContact O-N 3.35Å; F40-F84 HydrophobicContact CB-CE1 4.09Å; F40-F84 HydrophobicContact CB-CZ 4.19Å; F40-F84 AromaticContact CD1-CD1 3.49Å; F40-F84 HydrophobicContact CD1-CD1 3.49Å; F40-F84 VanDerWaalsContact CD1-CD1 3.49Å; F40-F84 AromaticContact CD1-CE1 3.42Å; F40-F84 HydrophobicContact CD1-CE1 3.42Å; F40-F84 VanDerWaalsContact CD1-CE1 3.42Å; F40-F84 HydrophobicContact CD1-CG 4.24Å; F40-F84 HydrophobicContact CD1-CZ 4.13Å; F40-F84 AromaticContact CD2-CD1 3.9Å; F40-F84 HydrophobicContact CD2-CD1 3.9Å; F40-F84 AromaticContact CD2-CE1 3.22Å; F40-F84 HydrophobicContact CD2-CE1 3.22Å; F40-F84 HydrophobicContact CD2-CZ 4.08Å; F40-F84 HydrophobicContact CE1-CB 4.47Å; F40-F84 AromaticContact CE1-CD1 3.19Å; F40-F84 HydrophobicContact CE1-CD1 3.19Å; F40-F84 AromaticContact CE1-CE1 3.57Å; F40-F84 HydrophobicContact CE1-CE1 3.57Å; F40-F84 HydrophobicContact CE1-CG 4.02Å; F40-F84 AromaticContact CE2-CD1 3.56Å; F40-F84 HydrophobicContact CE2-CD1 3.56Å; F40-F84 AromaticContact CE2-CE1 3.29Å; F40-F84 HydrophobicContact CE2-CE1 3.29Å; F40-F84 HydrophobicContact CE2-CZ 4.5Å; F40-F84 AromaticContact CG-CD1 3.87Å; F40-F84 HydrophobicContact CG-CD1 3.87Å; F40-F84 AromaticContact CG-CE1 3.28Å; F40-F84 HydrophobicContact CG-CE1 3.28Å; F40-F84 AromaticContact CG-CZ 3.87Å; F40-F84 HydrophobicContact CG-CZ 3.87Å; F40-F84 AromaticContact CZ-CD1 3.23Å; F40-F84 HydrophobicContact CZ-CD1 3.23Å; F40-F84 AromaticContact CZ-CE1 3.51Å; F40-F84 HydrophobicContact CZ-CE1 3.51Å; F40-F84 HydrophobicContact CZ-CG 4.37Å; F40-F95 AromaticContact CE1-CD1 3.61Å; F40-F95 HydrophobicContact CE1-CD1 3.61Å; F40-F95 AromaticContact CE1-CE1 3.88Å; F40-F95 HydrophobicContact CE1-CE1 3.88Å; F40-F95 HydrophobicContact CE1-CG 4.41Å; F40-F95 HydrophobicContact CE2-CB 4.43Å; F40-F95 HydrophobicContact CE2-CD1 4.44Å; F40-F95 HydrophobicContact CZ-CB 4.12Å; F40-F95 AromaticContact CZ-CD1 3.4Å; F40-F95 HydrophobicContact CZ-CD1 3.4Å; F40-F95 VanDerWaalsContact CZ-CD1 3.4Å; F40-F95 AromaticContact CZ-CE1 3.9Å; F40-F95 HydrophobicContact CZ-CE1 3.9Å; F40-F95 AromaticContact CZ-CG 3.76Å; F40-F95 HydrophobicContact CZ-CG 3.76Å; F40-L97 HydrophobicContact CD2-CD2 3.35Å; F40-L97 HydrophobicContact CE2-CD2 3.13Å; F40-L97 HydrophobicContact CG-CD2 4.47Å; F40-L97 HydrophobicContact CZ-CD2 4.08Å; F40-F112 HydrophobicContact CB-CB 3.91Å; F40-F112 HydrophobicContact CB-CD1 4.45Å; F40-F112 HydrophobicContact CB-CD2 4.04Å; F40-F112 HydrophobicContact CB-CG 3.88Å; F40-F112 AromaticContact CD2-CD1 3.77Å; F40-F112 HydrophobicContact CD2-CD1 3.77Å; F40-F112 AromaticContact CD2-CD2 3.88Å; F40-F112 HydrophobicContact CD2-CD2 3.88Å; F40-F112 AromaticContact CD2-CE1 3.68Å; F40-F112 HydrophobicContact CD2-CE1 3.68Å; F40-F112 AromaticContact CD2-CE2 3.77Å; F40-F112 HydrophobicContact CD2-CE2 3.77Å; F40-F112 AromaticContact CD2-CG 3.87Å; F40-F112 HydrophobicContact CD2-CG 3.87Å; F40-F112 AromaticContact CD2-CZ 3.67Å; F40-F112 HydrophobicContact CD2-CZ 3.67Å; F40-F112 HydrophobicContact CE2-CE1 4.14Å; F40-F112 HydrophobicContact CE2-CE2 4.32Å; F40-F112 AromaticContact CE2-CZ 3.95Å; F40-F112 HydrophobicContact CE2-CZ 3.95Å; F40-F112 HydrophobicContact CG-CD2 4.33Å; F40-F112 HydrophobicContact CG-CG 4.36Å; F40-S118 WeakPolarHBondContact O-CB 3.44Å; F40-S118 PolarHBondContact O-OG 3.2Å; F40-I128 HydrophobicContact CE2-CD1 4.4Å; F40-I128 HydrophobicContact CZ-CD1 4.18Å
41S65.1Low72.5Confident5 Ų527 Ų274%0.03514%0.143CC..THydrogen-bonded Turntrans-78.710.9168.873.10000114.1D38 T79D38-S41 WeakPolarHBondContact O-CB 3.33Å; D38-S41 PolarHBondContact O-N 3.07Å; D38-S41 PolarHBondContact O-OG 3.4Å; S41-T79 PolarHBondContact OG-N 3.27Å; S41-T79 PolarHBondContact OG-OG1 2.84Å
42F55.6Low70.4Confident42 Ų4230.7 Ų30.718%0.18417%0.167CC..THydrogen-bonded Turntrans-74-29.4-176.767.4-96.2000114F40 Q80 M82 N83 F84F40-F42 HydrophobicContact CB-CD1 4.33Å; F40-F42 HydrophobicContact CB-CE1 3.99Å; F40-F42 HydrophobicContact CD1-CD1 4.25Å; F40-F42 AromaticContact CD1-CE1 3.84Å; F40-F42 HydrophobicContact CD1-CE1 3.84Å; F40-F42 HydrophobicContact CG-CE1 4.28Å; F40-F42 PolarHBondContact O-N 3.35Å; F42-Q80 VanDerWaalsContact CA-O 3.29Å; F42-Q80 WeakPolarHBondContact CA-O 3.28Å; F42-Q80 HydrophobicContact CB-CB 4.28Å; F42-Q80 WeakPolarHBondContact CB-O 3.38Å; F42-M82 WeakPolarHBondContact CD1-O 3.45Å; F42-M82 WeakPolarHBondContact CG-O 3.35Å; F42-N83 HydrophobicContact CD2-CB 4.2Å; F42-N83 HydrophobicContact CE1-CB 4.49Å; F42-N83 HydrophobicContact CE2-CB 3.77Å; F42-N83 HydrophobicContact CZ-CB 3.95Å; F42-F84 AromaticContact CE1-CD2 3.97Å; F42-F84 HydrophobicContact CE1-CD2 3.97Å; F42-F84 AromaticContact CE1-CE2 3.77Å; F42-F84 HydrophobicContact CE1-CE2 3.77Å; F42-F84 HydrophobicContact CE1-CG 4.45Å; F42-F84 HydrophobicContact CE1-CZ 4.06Å; F42-F84 AromaticContact CZ-CD2 3.67Å; F42-F84 HydrophobicContact CZ-CD2 3.67Å; F42-F84 AromaticContact CZ-CE2 3.41Å; F42-F84 HydrophobicContact CZ-CE2 3.41Å; F42-F84 VanDerWaalsContact CZ-CE2 3.41Å; F42-F84 HydrophobicContact CZ-CZ 4.1Å
43Y51.3Low68.2Low126 Ų12633.3 Ų33.349%0.49418%0.179SC..  trans-110.5130.4176.1-173.8-100.9000109.3D45 S118Y43-D45 HydrophobicContact CE1-CB 4.17Å; Y43-S118 VanDerWaalsContact O-CA 3.24Å; Y43-S118 WeakPolarHBondContact O-CA 3.48Å; Y43-S118 WeakPolarHBondContact O-CB 3.36Å; Y43-S118 PolarHBondContact O-OG 3.36Å
44I56.3Low66.2Low11 Ų1134.9 Ų34.96%0.05619%0.187CC..  trans-133.6111.8179.2-68.8-176.4000106E46 R74 L77 L116I44-E46 PolarHBondContact O-N 2.94Å; I44-R74 HydrophobicContact CD1-CG 4.26Å; I44-L77 HydrophobicContact CD1-CB 4.38Å; I44-L116 HydrophobicContact CB-CB 4.49Å; I44-L116 HydrophobicContact CD1-CB 4.23Å; I44-L116 HydrophobicContact CD1-CD1 4.08Å; I44-L116 HydrophobicContact CG1-CB 4.27Å; I44-L116 HydrophobicContact CG2-CB 3.6Å; I44-L116 HydrophobicContact CG2-CD1 3.34Å; I44-L116 HydrophobicContact CG2-CG 4.02Å
45D52.1Low64.2Low39 Ų3939 Ų3921%0.20921%0.211CC..  trans-69.1114.8177.7170.316.9000109.9Y43 S47 S48 F117Y43-D45 HydrophobicContact CE1-CB 4.17Å; D45-S47 PolarHBondContact O-N 2.78Å; D45-S47 VanDerWaalsContact O-N 3.14Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.38Å; D45-S47 PolarHBondContact OD1-OG 3.41Å; D45-S47 PolarHBondContact OD2-OG 2.99Å; D45-S48 WeakPolarHBondContact O-CB 2.99Å; D45-S48 PolarHBondContact O-N 3.43Å; D45-S48 PolarHBondContact OD2-OG 3.17Å; D45-F117 PolarHBondContact N-O 3.48Å
46E49.6Very low62Low117 Ų11744.7 Ų44.755%0.54724%0.242SC..THydrogen-bonded Turntrans-61.2-23.1-178.2-61.1-170.2172.500113I44 K70 R74I44-E46 PolarHBondContact O-N 2.94Å; E46-K70 PolarHBondContact O-NZ 3.01Å; E46-R74 IonicContact OE1-NH1 3.5Å; E46-R74 PolarHBondContact OE1-NH1 3.29Å
47S50.4Low59.8Low97 Ų9748 Ų4868%0.67827%0.27SS*.THydrogen-bonded Turntrans-85.4-16177.975.90000113.5D45D45-S47 PolarHBondContact O-N 2.78Å; D45-S47 VanDerWaalsContact O-N 3.14Å; D45-S47 WeakPolarHBondContact OD1-CB 3.48Å; D45-S47 PolarHBondContact OD1-N 3.38Å; D45-S47 PolarHBondContact OD1-OG 3.41Å; D45-S47 PolarHBondContact OD2-OG 2.99Å
48S53.5Low58.1Low4 Ų449 Ų493%0.02828%0.276CS..SBendtrans-74.4147.6-176.6-80.40000112.7D45 K102D45-S48 WeakPolarHBondContact O-CB 2.99Å; D45-S48 PolarHBondContact O-N 3.43Å; D45-S48 PolarHBondContact OD2-OG 3.17Å; S48-K102 WeakPolarHBondContact OG-CE 3.48Å; S48-K102 PolarHBondContact OG-NZ 3.29Å; S48-K102 VanDerWaalsContact OG-NZ 3.13Å
49P54.6Low56.9Low67 Ų6752.6 Ų52.644%0.43529%0.293SS..PPolyproline II helixtrans-67.8159.3175.826.9-30.9000111.3F117P49-F117 HydrophobicContact CG-CD2 4.46Å; P49-F117 HydrophobicContact CG-CE2 3.98Å; P49-F117 WeakPolarHBondContact O-CD2 3.49Å
50V58.5Low55.7Low32 Ų3257.3 Ų57.319%0.19432%0.318CS..BIsolated β-bridgetrans-65.1136.1174-176.70000109.1Q54 V62 M73 L116V50-Q54 HydrophobicContact CG1-CB 3.76Å; V50-Q54 HydrophobicContact CG1-CG 3.69Å; V50-V62 HydrophobicContact CG2-CB 4.02Å; V50-V62 HydrophobicContact CG2-CG1 3.74Å; V50-V62 HydrophobicContact CG2-CG2 3.85Å; V50-M73 HydrophobicContact CG1-CE 4.29Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å
51G56.4Low54.6Low2 Ų260.6 Ų60.62%0.02133%0.333CS..PPolyproline II helixtrans-62.2146.5179.100000112.5E53 Q54 G115G51-E53 WeakPolarHBondContact CA-OE2 3.46Å; G51-E53 PolarHBondContact O-N 3.27Å; G51-E53 VanDerWaalsContact O-N 3.16Å; G51-Q54 PolarHBondContact O-N 2.84Å; G51-G115 PolarHBondContact N-O 2.9Å
52P52.4Low54.2Low78 Ų7861.1 Ų61.151%0.50634%0.336SS..THydrogen-bonded Turntrans-63.3-17-177.827.5-36.1000114.6Q54P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 2.79Å
53E53.7Low54.3Low55 Ų5563.3 Ų63.326%0.25736%0.356SS..THydrogen-bonded Turntrans-76.3-11.1179.371-78.9-172.100114G51 G115 Y148G51-E53 WeakPolarHBondContact CA-OE2 3.46Å; G51-E53 PolarHBondContact O-N 3.27Å; G51-E53 VanDerWaalsContact O-N 3.16Å; E53-G115 VanDerWaalsContact OE1-C 3.31Å; E53-G115 WeakPolarHBondContact OE1-CA 3.25Å; E53-G115 PolarHBondContact OE1-N 3.09Å; E53-Y148 HydrophobicContact CB-CD1 4.3Å; E53-Y148 HydrophobicContact CB-CE1 4.03Å
54Q56.8Low54.2Low34 Ų3462.3 Ų62.316%0.15936%0.363CS..SBendtrans-79.9135.6-178.7-66.4-60.6-42.300111.6V50 G51 P52 V58 Q59V50-Q54 HydrophobicContact CG1-CB 3.76Å; V50-Q54 HydrophobicContact CG1-CG 3.69Å; G51-Q54 PolarHBondContact O-N 2.84Å; P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 2.79Å; Q54-V58 HydrophobicContact CB-CB 4.23Å; Q54-V58 HydrophobicContact CB-CG1 3.97Å; Q54-V58 HydrophobicContact CG-CG1 4.26Å; Q54-Q59 HydrophobicContact CB-CG 4.42Å; Q54-Q59 PolarHBondContact O-NE2 2.74Å
55T55.9Low53.8Low85 Ų8567.4 Ų67.452%0.52139%0.385SS..  trans-57.8153.7179.7650000112.6A57 V58 Q59T55-A57 PolarHBondContact O-N 2.68Å; T55-A57 VanDerWaalsContact O-N 3.08Å; T55-V58 WeakPolarHBondContact O-CA 3.48Å; T55-V58 WeakPolarHBondContact O-CB 3.18Å; T55-V58 PolarHBondContact O-N 3.49Å; T55-V58 WeakPolarHBondContact OG1-CG2 3.18Å; T55-V58 PolarHBondContact OG1-N 3.44Å; T55-Q59 PolarHBondContact O-N 3.1Å
56D52.4Low54.3Low120 Ų12067.2 Ų67.264%0.64239%0.392SS*.Hα-helixtrans-52.7-33.8176.1-63.6-18.8000112.8Q59 N60D56-Q59 PolarHBondContact O-N 3.04Å; D56-N60 WeakPolarHBondContact O-CB 3.49Å; D56-N60 PolarHBondContact O-N 3.46Å; D56-N60 PolarHBondContact O-ND2 2.97Å
57A49.3Very low54.8Low71 Ų7166.1 Ų66.159%0.58739%0.393SS*.Hα-helixtrans-64.4-39.1175.900000112.4T55 F61T55-A57 PolarHBondContact O-N 2.68Å; T55-A57 VanDerWaalsContact O-N 3.08Å; A57-F61 VanDerWaalsContact O-CB 3.27Å; A57-F61 WeakPolarHBondContact O-CB 3.24Å; A57-F61 PolarHBondContact O-N 2.89Å
58V55.2Low55.4Low33 Ų3366.2 Ų66.220%0.239%0.39CS..Hα-helixtrans-74-42.4177.1173.80000110.6Q54 T55 N60 F61 V62 M73Q54-V58 HydrophobicContact CB-CB 4.23Å; Q54-V58 HydrophobicContact CB-CG1 3.97Å; Q54-V58 HydrophobicContact CG-CG1 4.26Å; T55-V58 WeakPolarHBondContact O-CA 3.48Å; T55-V58 WeakPolarHBondContact O-CB 3.18Å; T55-V58 PolarHBondContact O-N 3.49Å; T55-V58 WeakPolarHBondContact OG1-CG2 3.18Å; T55-V58 PolarHBondContact OG1-N 3.44Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 3.49Å; V58-F61 PolarHBondContact O-N 3.27Å; V58-V62 WeakPolarHBondContact O-CG2 3.4Å; V58-V62 PolarHBondContact O-N 3.16Å; V58-M73 HydrophobicContact CG1-CE 3.19Å; V58-M73 HydrophobicContact CG1-SD 3.55Å; V58-M73 VanDerWaalsContact CG1-SD 3.55Å
59Q60.6Low55.8Low81 Ų8166 Ų6638%0.37939%0.388SS..Hα-helixtrans-60.4-42.5174.2-64.1-168.330.100111.4Q54 T55 D56 V62 S63Q54-Q59 HydrophobicContact CB-CG 4.42Å; Q54-Q59 PolarHBondContact O-NE2 2.74Å; T55-Q59 PolarHBondContact O-N 3.1Å; D56-Q59 PolarHBondContact O-N 3.04Å; Q59-V62 PolarHBondContact O-N 3.12Å; Q59-S63 PolarHBondContact O-N 3.19Å
60N53.2Low56.2Low98 Ų9866 Ų6652%0.52438%0.382SS..Hα-helixtrans-69.3-35.2175.5-73.3-30.8000112.8D56 V58 S63 V64D56-N60 WeakPolarHBondContact O-CB 3.49Å; D56-N60 PolarHBondContact O-N 3.46Å; D56-N60 PolarHBondContact O-ND2 2.97Å; V58-N60 VanDerWaalsContact C-N 3.31Å; V58-N60 PolarHBondContact O-N 3.49Å; N60-S63 WeakPolarHBondContact CA-OG 3.44Å; N60-S63 PolarHBondContact O-N 3.13Å; N60-S63 PolarHBondContact O-OG 3.5Å; N60-V64 WeakPolarHBondContact O-CB 3.47Å; N60-V64 WeakPolarHBondContact O-CG2 3.36Å; N60-V64 PolarHBondContact O-N 3.37Å
61F53.4Low56.6Low75 Ų7570.6 Ų70.633%0.32940%0.399SS..Hα-helixtrans-65.1-40.6174.9-175.2-106.6000111.5A57 V58 V64 F65 A69 L72A57-F61 VanDerWaalsContact O-CB 3.27Å; A57-F61 WeakPolarHBondContact O-CB 3.24Å; A57-F61 PolarHBondContact O-N 2.89Å; V58-F61 PolarHBondContact O-N 3.27Å; F61-V64 PolarHBondContact O-N 3.22Å; F61-F65 AromaticContact CD2-CD2 3.31Å; F61-F65 HydrophobicContact CD2-CD2 3.31Å; F61-F65 AromaticContact CD2-CE2 3.54Å; F61-F65 HydrophobicContact CD2-CE2 3.54Å; F61-F65 HydrophobicContact CD2-CG 4.31Å; F61-F65 AromaticContact CE2-CD2 3.38Å; F61-F65 HydrophobicContact CE2-CD2 3.38Å; F61-F65 AromaticContact CE2-CE2 3.61Å; F61-F65 HydrophobicContact CE2-CE2 3.61Å; F61-F65 HydrophobicContact CE2-CG 4.03Å; F61-F65 HydrophobicContact CE2-CZ 4.4Å; F61-F65 HydrophobicContact CG-CD2 4.06Å; F61-F65 HydrophobicContact CZ-CD2 4.2Å; F61-F65 HydrophobicContact CZ-CG 4.48Å; F61-F65 WeakPolarHBondContact O-CB 3.31Å; F61-F65 WeakPolarHBondContact O-CD2 3.34Å; F61-F65 PolarHBondContact O-N 3.01Å; F61-A69 HydrophobicContact CD1-CB 3.43Å; F61-A69 VanDerWaalsContact CD1-CB 3.43Å; F61-A69 HydrophobicContact CE1-CB 3.34Å; F61-A69 HydrophobicContact CG-CB 4.3Å; F61-A69 HydrophobicContact CZ-CB 4.13Å; F61-L72 HydrophobicContact CZ-CD1 4.41Å
62V58Low57Low17 Ų1771.9 Ų71.910%0.10341%0.405CS..Hα-helixtrans-67.3-40.7174.5177.50000112V50 V58 Q59 V64 G66 A69 K70 M73V50-V62 HydrophobicContact CG2-CB 4.02Å; V50-V62 HydrophobicContact CG2-CG1 3.74Å; V50-V62 HydrophobicContact CG2-CG2 3.85Å; V58-V62 WeakPolarHBondContact O-CG2 3.4Å; V58-V62 PolarHBondContact O-N 3.16Å; Q59-V62 PolarHBondContact O-N 3.12Å; V62-V64 VanDerWaalsContact C-N 3.29Å; V62-V64 PolarHBondContact O-N 3.43Å; V62-G66 WeakPolarHBondContact O-CA 3.37Å; V62-G66 PolarHBondContact O-N 3.36Å; V62-A69 HydrophobicContact CG2-CB 4.45Å; V62-K70 HydrophobicContact CG1-CG 3.99Å; V62-M73 HydrophobicContact CG2-CE 4.08Å; V62-M73 HydrophobicContact CG2-SD 3.06Å; V62-M73 WeakPolarHBondContact CG2-SD 3.26Å
63S57.2Low57.6Low87 Ų8768.8 Ų68.861%0.60838%0.384SS*.Hα-helixtrans-66-32.1179.372.90000112.5Q59 N60Q59-S63 PolarHBondContact O-N 3.19Å; N60-S63 WeakPolarHBondContact CA-OG 3.44Å; N60-S63 PolarHBondContact O-N 3.13Å; N60-S63 PolarHBondContact O-OG 3.5Å
64V48Very low58.3Low105 Ų10570.9 Ų70.964%0.63639%0.389SS*.Hα-helixtrans-86.8-39.2-178.4174.30000113.2N60 F61 V62N60-V64 WeakPolarHBondContact O-CB 3.47Å; N60-V64 WeakPolarHBondContact O-CG2 3.36Å; N60-V64 PolarHBondContact O-N 3.37Å; F61-V64 PolarHBondContact O-N 3.22Å; V62-V64 VanDerWaalsContact C-N 3.29Å; V62-V64 PolarHBondContact O-N 3.43Å
65F49.5Very low58.8Low119 Ų11974.2 Ų74.252%0.52240%0.404SS..Hα-helixtrans-110.12.7-170.7-63.7-83000114.3F61 T67 V68 A69F61-F65 AromaticContact CD2-CD2 3.31Å; F61-F65 HydrophobicContact CD2-CD2 3.31Å; F61-F65 AromaticContact CD2-CE2 3.54Å; F61-F65 HydrophobicContact CD2-CE2 3.54Å; F61-F65 HydrophobicContact CD2-CG 4.31Å; F61-F65 AromaticContact CE2-CD2 3.38Å; F61-F65 HydrophobicContact CE2-CD2 3.38Å; F61-F65 AromaticContact CE2-CE2 3.61Å; F61-F65 HydrophobicContact CE2-CE2 3.61Å; F61-F65 HydrophobicContact CE2-CG 4.03Å; F61-F65 HydrophobicContact CE2-CZ 4.4Å; F61-F65 HydrophobicContact CG-CD2 4.06Å; F61-F65 HydrophobicContact CZ-CD2 4.2Å; F61-F65 HydrophobicContact CZ-CG 4.48Å; F61-F65 WeakPolarHBondContact O-CB 3.31Å; F61-F65 WeakPolarHBondContact O-CD2 3.34Å; F61-F65 PolarHBondContact O-N 3.01Å; F65-T67 PolarHBondContact O-N 2.93Å; F65-V68 PolarHBondContact O-N 3.32Å; F65-A69 HydrophobicContact CB-CB 3.68Å
66G61.8Low59.5Low34 Ų3470.8 Ų70.835%0.35138%0.381SS..Hα-helixtrans53.9-132.5169.100000114.1V62 V68 A69 K70V62-G66 WeakPolarHBondContact O-CA 3.37Å; V62-G66 PolarHBondContact O-N 3.36Å; G66-V68 VanDerWaalsContact C-N 3.26Å; G66-V68 PolarHBondContact O-N 2.86Å; G66-A69 PolarHBondContact O-N 3.31Å; G66-K70 PolarHBondContact O-N 3.37Å; G66-K70 VanDerWaalsContact O-N 3.15Å
67T60.7Low60.4Low94 Ų9466 Ų6658%0.57736%0.355SS*.Hα-helixtrans-61.3-29-175-44.80000113.8F65 K71F65-T67 PolarHBondContact O-N 2.93Å; T67-K71 WeakPolarHBondContact O-CG 3.41Å; T67-K71 PolarHBondContact O-N 2.89Å
68V61.9Low61.7Low100 Ų10063.4 Ų63.461%0.60633%0.334SS*.Hα-helixtrans-71.4-43.5178.9178.50000110.5F65 G66 K70 K71 L72F65-V68 PolarHBondContact O-N 3.32Å; G66-V68 VanDerWaalsContact C-N 3.26Å; G66-V68 PolarHBondContact O-N 2.86Å; V68-K70 VanDerWaalsContact C-N 3.35Å; V68-K70 PolarHBondContact O-N 3.23Å; V68-K71 PolarHBondContact O-N 3.34Å; V68-L72 HydrophobicContact CG1-CD1 4.23Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3.49Å; V68-L72 VanDerWaalsContact O-N 3.08Å
69A62.9Low62.8Low0 Ų062 Ų620%033%0.325CS..Hα-helixtrans-61.7-41.5172.900000112.3F61 V62 F65 G66 L72 M73F61-A69 HydrophobicContact CD1-CB 3.43Å; F61-A69 VanDerWaalsContact CD1-CB 3.43Å; F61-A69 HydrophobicContact CE1-CB 3.34Å; F61-A69 HydrophobicContact CG-CB 4.3Å; F61-A69 HydrophobicContact CZ-CB 4.13Å; V62-A69 HydrophobicContact CG2-CB 4.45Å; F65-A69 HydrophobicContact CB-CB 3.68Å; G66-A69 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 2.91Å; A69-M73 WeakPolarHBondContact O-CB 3.43Å; A69-M73 WeakPolarHBondContact O-CG 3.41Å; A69-M73 PolarHBondContact O-N 2.84Å
70K63.3Low63.8Low67 Ų6758.2 Ų58.229%0.29131%0.308SS..Hα-helixtrans-61-44.8175.9-72.3-172.3171-164.80112.6E46 V62 G66 V68 L72 M73 R74E46-K70 PolarHBondContact O-NZ 3.01Å; V62-K70 HydrophobicContact CG1-CG 3.99Å; G66-K70 PolarHBondContact O-N 3.37Å; G66-K70 VanDerWaalsContact O-N 3.15Å; V68-K70 VanDerWaalsContact C-N 3.35Å; V68-K70 PolarHBondContact O-N 3.23Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 2.8Å; K70-M73 PolarHBondContact O-N 3.45Å; K70-R74 WeakPolarHBondContact O-CB 3.28Å; K70-R74 PolarHBondContact O-N 3.43Å
71K65.7Low65.3Low127 Ų12757.2 Ų57.255%0.55231%0.305SS*.Hα-helixtrans-63.3-36.4176.8-77.3-176.7178.5-175.60112.7T67 V68T67-K71 WeakPolarHBondContact O-CG 3.41Å; T67-K71 PolarHBondContact O-N 2.89Å; V68-K71 PolarHBondContact O-N 3.34Å
72L65.6Low66.8Low30 Ų3055.1 Ų55.116%0.15730%0.297CS..Hα-helixtrans-68.8-51.5174.6-70.3167.9000110.8F61 V68 A69 K70 R74 K75 W76 V260F61-L72 HydrophobicContact CZ-CD1 4.41Å; V68-L72 HydrophobicContact CG1-CD1 4.23Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3.49Å; V68-L72 VanDerWaalsContact O-N 3.08Å; A69-L72 PolarHBondContact O-N 2.91Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 2.8Å; L72-R74 PolarHBondContact O-N 2.68Å; L72-K75 WeakPolarHBondContact O-CB 3.49Å; L72-K75 PolarHBondContact O-N 3.42Å; L72-W76 VanDerWaalsContact O-CD1 3.24Å; L72-W76 PolarHBondContact O-N 3.11Å; L72-V260 HydrophobicContact CD1-CG1 3.74Å; L72-V260 HydrophobicContact CD2-CG1 4.15Å; L72-V260 WeakPolarHBondContact CD2-O 3.46Å
73M65.4Low68.2Low13 Ų1357.5 Ų57.56%0.06431%0.309CS..Hα-helixtrans-54.9-40177.4-77.218060.100112.5V50 V58 V62 A69 K70 K75 W76 L77V50-M73 HydrophobicContact CG1-CE 4.29Å; V58-M73 HydrophobicContact CG1-CE 3.19Å; V58-M73 HydrophobicContact CG1-SD 3.55Å; V58-M73 VanDerWaalsContact CG1-SD 3.55Å; V62-M73 HydrophobicContact CG2-CE 4.08Å; V62-M73 HydrophobicContact CG2-SD 3.06Å; V62-M73 WeakPolarHBondContact CG2-SD 3.26Å; A69-M73 WeakPolarHBondContact O-CB 3.43Å; A69-M73 WeakPolarHBondContact O-CG 3.41Å; A69-M73 PolarHBondContact O-N 2.84Å; K70-M73 PolarHBondContact O-N 3.45Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 2.93Å; M73-W76 CarbonylContact O-C 3.54Å; M73-W76 WeakPolarHBondContact O-CA 3.24Å; M73-W76 PolarHBondContact O-N 3.2Å; M73-L77 HydrophobicContact CB-CD1 4.13Å; M73-L77 HydrophobicContact CE-CD1 3.82Å; M73-L77 WeakPolarHBondContact O-CB 3.45Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.43Å; M73-L77 PolarHBondContact O-N 2.83Å
74R68.1Low69.6Low98 Ų9853.4 Ų53.437%0.3728%0.28SS..Hα-helixtrans-53.2-46.4174.5178.5174.7179.7176.41.8112.5I44 E46 K70 L72 W76 L77 A78I44-R74 HydrophobicContact CD1-CG 4.26Å; E46-R74 IonicContact OE1-NH1 3.5Å; E46-R74 PolarHBondContact OE1-NH1 3.29Å; K70-R74 WeakPolarHBondContact O-CB 3.28Å; K70-R74 PolarHBondContact O-N 3.43Å; L72-R74 PolarHBondContact O-N 2.68Å; R74-W76 PolarHBondContact O-N 3.42Å; R74-L77 PolarHBondContact O-N 3.13Å; R74-A78 VanDerWaalsContact O-CB 3.32Å; R74-A78 WeakPolarHBondContact O-CB 3.43Å; R74-A78 PolarHBondContact O-N 3.5Å
75K66.4Low71.6Confident105 Ų10550.6 Ų50.646%0.45727%0.265SS..Hα-helixtrans-66.3-22178.7-67.9-173.1174.8-170.60113.3L72 M73 G263 L264L72-K75 WeakPolarHBondContact O-CB 3.49Å; L72-K75 PolarHBondContact O-N 3.42Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 2.93Å; K75-G263 CarbonylContact O-C 3.52Å; K75-G263 VanDerWaalsContact O-CA 3.31Å; K75-G263 WeakPolarHBondContact O-CA 3.37Å; K75-L264 PolarHBondContact O-N 3.06Å
76W70.3Confident73.6Confident13 Ų1347.2 Ų47.25%0.04926%0.256CS..Hα-helixtrans-98.7-20.2-178.1-75.798.9000113.8L72 M73 R74 P251 T255 V256 S262 L264 T267 I268L72-W76 VanDerWaalsContact O-CD1 3.24Å; L72-W76 PolarHBondContact O-N 3.11Å; M73-W76 CarbonylContact O-C 3.54Å; M73-W76 WeakPolarHBondContact O-CA 3.24Å; M73-W76 PolarHBondContact O-N 3.2Å; R74-W76 PolarHBondContact O-N 3.42Å; W76-P251 HydrophobicContact CE3-CB 4.06Å; W76-P251 HydrophobicContact CE3-CG 4.31Å; W76-P251 HydrophobicContact CZ3-CB 3.92Å; W76-T255 HydrophobicContact CH2-CG2 4.19Å; W76-T255 HydrophobicContact CZ3-CG2 4.34Å; W76-V256 HydrophobicContact CB-CG1 4.38Å; W76-V256 HydrophobicContact CD2-CB 4.25Å; W76-V256 HydrophobicContact CD2-CG1 4.06Å; W76-V256 HydrophobicContact CD2-CG2 3.96Å; W76-V256 HydrophobicContact CE3-CB 4.47Å; W76-V256 HydrophobicContact CE3-CG2 3.8Å; W76-V256 HydrophobicContact CG-CG1 3.86Å; W76-V256 HydrophobicContact CG-CG2 4.31Å; W76-V256 HydrophobicContact CZ3-CG2 4.31Å; W76-S262 PolarHBondContact NE1-O 2.93Å; W76-S262 VanDerWaalsContact NE1-O 3.14Å; W76-L264 HydrophobicContact CE3-CB 4.36Å; W76-T267 HydrophobicContact CH2-CG2 3.88Å; W76-I268 HydrophobicContact CZ3-CD1 4.09Å; W76-I268 HydrophobicContact CZ3-CG1 4.48Å
77L71.9Confident75.2Confident18 Ų1845.6 Ų45.69%0.09424%0.24CC..Hα-helixtrans-100.3-28.7-178.7-68.6173.5000113.3I44 M73 R74 T79 H114 L116I44-L77 HydrophobicContact CD1-CB 4.38Å; M73-L77 HydrophobicContact CB-CD1 4.13Å; M73-L77 HydrophobicContact CE-CD1 3.82Å; M73-L77 WeakPolarHBondContact O-CB 3.45Å; M73-L77 VanDerWaalsContact O-CG 3.28Å; M73-L77 WeakPolarHBondContact O-CG 3.43Å; M73-L77 PolarHBondContact O-N 2.83Å; R74-L77 PolarHBondContact O-N 3.13Å; L77-T79 PolarHBondContact O-N 2.8Å; L77-H114 PolarHBondContact O-ND1 2.73Å; L77-L116 HydrophobicContact CD1-CD1 3.79Å; L77-L116 HydrophobicContact CD1-CG 3.84Å
78A76.4Confident76.9Confident18 Ų1841.1 Ų41.115%0.14921%0.212CC..  trans-67.6123.5175.300000109.6R74 F297R74-A78 VanDerWaalsContact O-CB 3.32Å; R74-A78 WeakPolarHBondContact O-CB 3.43Å; R74-A78 PolarHBondContact O-N 3.5Å; A78-F297 WeakPolarHBondContact O-CZ 2.84Å
79T77.7Confident78.6Confident2 Ų239.3 Ų39.31%0.01220%0.197CC..  trans-105.7-14.2175.961.20000112.3H37 D38 S41 L77 L264 D296 F297H37-T79 PolarHBondContact O-OG1 3.43Å; D38-T79 HydrophobicContact CB-CG2 3.89Å; D38-T79 VanDerWaalsContact CB-OG1 3.23Å; D38-T79 WeakPolarHBondContact CB-OG1 3.32Å; D38-T79 PolarHBondContact O-OG1 3.39Å; S41-T79 PolarHBondContact OG-N 3.27Å; S41-T79 PolarHBondContact OG-OG1 2.84Å; L77-T79 PolarHBondContact O-N 2.8Å; T79-L264 HydrophobicContact CG2-CD2 4.22Å; T79-D296 VanDerWaalsContact CB-OD1 3.24Å; T79-D296 WeakPolarHBondContact CB-OD1 3.4Å; T79-D296 WeakPolarHBondContact CG2-OD1 3.42Å; T79-D296 CarbonylContact O-C 3.48Å; T79-D296 WeakPolarHBondContact O-CA 3.42Å; T79-F297 WeakPolarHBondContact O-CD1 3.28Å; T79-F297 PolarHBondContact O-N 2.93Å
80Q83.2Confident80.2Confident2 Ų240.4 Ų40.41%0.00921%0.207CC..  trans-132.5150.6176.9-54.8-56.1-28.100110.7H37 S39 F42 A295 V298H37-Q80 PolarHBondContact O-NE2 2.9Å; S39-Q80 WeakPolarHBondContact O-CG 3.48Å; F42-Q80 VanDerWaalsContact CA-O 3.29Å; F42-Q80 WeakPolarHBondContact CA-O 3.28Å; F42-Q80 HydrophobicContact CB-CB 4.28Å; F42-Q80 WeakPolarHBondContact CB-O 3.38Å; Q80-A295 PolarHBondContact NE2-O 3.41Å; Q80-V298 VanDerWaalsContact OE1-N 3.17Å
81T83.3Confident81.8Confident78 Ų7837.2 Ų37.248%0.47919%0.193SC..SBendtrans-105.8-21168.666.20000113.1F297 E299T81-F297 HydrophobicContact CG2-CD1 3.96Å; T81-F297 HydrophobicContact CG2-CE1 4.14Å; T81-E299 VanDerWaalsContact OG1-CD 3.24Å; T81-E299 PolarHBondContact OG1-OE1 3.23Å
82M85.6Confident83.4Confident30 Ų3031.2 Ų31.215%0.14817%0.166CC..SBendtrans-83.7139.8-178.6-62.3176.680.600111.1F42 S86 Q87 A90 V298 E299F42-M82 WeakPolarHBondContact CD1-O 3.45Å; F42-M82 WeakPolarHBondContact CG-O 3.35Å; M82-S86 VanDerWaalsContact CE-O 3.26Å; M82-S86 WeakPolarHBondContact CE-O 3.5Å; M82-Q87 HydrophobicContact CB-CG 3.57Å; M82-Q87 PolarHBondContact O-NE2 2.89Å; M82-A90 HydrophobicContact CE-CB 3.61Å; M82-V298 HydrophobicContact SD-CG2 4.03Å; M82-E299 HydrophobicContact SD-CB 3.78Å
83N86.4Confident84.9Confident67 Ų6729.8 Ų29.836%0.35816%0.159SC..  trans-77.4177.7171.568.416.2000111.7F42 S85 S86 Q87F42-N83 HydrophobicContact CD2-CB 4.2Å; F42-N83 HydrophobicContact CE1-CB 4.49Å; F42-N83 HydrophobicContact CE2-CB 3.77Å; F42-N83 HydrophobicContact CZ-CB 3.95Å; N83-S85 PolarHBondContact O-N 2.84Å; N83-S85 PolarHBondContact OD1-N 3.4Å; N83-S86 PolarHBondContact O-N 3.02Å; N83-S86 VanDerWaalsContact OD1-CB 3.26Å; N83-S86 WeakPolarHBondContact OD1-CB 3.28Å; N83-S86 PolarHBondContact OD1-N 3.17Å; N83-S86 PolarHBondContact OD1-OG 2.77Å; N83-Q87 WeakPolarHBondContact O-CG 3.41Å; N83-Q87 PolarHBondContact O-N 3.36Å
84F87.3Confident86.5Confident2 Ų229.2 Ų29.21%0.00916%0.156CC..Hα-helixtrans-49.7-59.1-178.8-53.7-94.2000112.9F40 F42 S86 Q87 L88 F112 A119 G124 Q127F40-F84 HydrophobicContact CB-CE1 4.09Å; F40-F84 HydrophobicContact CB-CZ 4.19Å; F40-F84 AromaticContact CD1-CD1 3.49Å; F40-F84 HydrophobicContact CD1-CD1 3.49Å; F40-F84 VanDerWaalsContact CD1-CD1 3.49Å; F40-F84 AromaticContact CD1-CE1 3.42Å; F40-F84 HydrophobicContact CD1-CE1 3.42Å; F40-F84 VanDerWaalsContact CD1-CE1 3.42Å; F40-F84 HydrophobicContact CD1-CG 4.24Å; F40-F84 HydrophobicContact CD1-CZ 4.13Å; F40-F84 AromaticContact CD2-CD1 3.9Å; F40-F84 HydrophobicContact CD2-CD1 3.9Å; F40-F84 AromaticContact CD2-CE1 3.22Å; F40-F84 HydrophobicContact CD2-CE1 3.22Å; F40-F84 HydrophobicContact CD2-CZ 4.08Å; F40-F84 HydrophobicContact CE1-CB 4.47Å; F40-F84 AromaticContact CE1-CD1 3.19Å; F40-F84 HydrophobicContact CE1-CD1 3.19Å; F40-F84 AromaticContact CE1-CE1 3.57Å; F40-F84 HydrophobicContact CE1-CE1 3.57Å; F40-F84 HydrophobicContact CE1-CG 4.02Å; F40-F84 AromaticContact CE2-CD1 3.56Å; F40-F84 HydrophobicContact CE2-CD1 3.56Å; F40-F84 AromaticContact CE2-CE1 3.29Å; F40-F84 HydrophobicContact CE2-CE1 3.29Å; F40-F84 HydrophobicContact CE2-CZ 4.5Å; F40-F84 AromaticContact CG-CD1 3.87Å; F40-F84 HydrophobicContact CG-CD1 3.87Å; F40-F84 AromaticContact CG-CE1 3.28Å; F40-F84 HydrophobicContact CG-CE1 3.28Å; F40-F84 AromaticContact CG-CZ 3.87Å; F40-F84 HydrophobicContact CG-CZ 3.87Å; F40-F84 AromaticContact CZ-CD1 3.23Å; F40-F84 HydrophobicContact CZ-CD1 3.23Å; F40-F84 AromaticContact CZ-CE1 3.51Å; F40-F84 HydrophobicContact CZ-CE1 3.51Å; F40-F84 HydrophobicContact CZ-CG 4.37Å; F42-F84 AromaticContact CE1-CD2 3.97Å; F42-F84 HydrophobicContact CE1-CD2 3.97Å; F42-F84 AromaticContact CE1-CE2 3.77Å; F42-F84 HydrophobicContact CE1-CE2 3.77Å; F42-F84 HydrophobicContact CE1-CG 4.45Å; F42-F84 HydrophobicContact CE1-CZ 4.06Å; F42-F84 AromaticContact CZ-CD2 3.67Å; F42-F84 HydrophobicContact CZ-CD2 3.67Å; F42-F84 AromaticContact CZ-CE2 3.41Å; F42-F84 HydrophobicContact CZ-CE2 3.41Å; F42-F84 VanDerWaalsContact CZ-CE2 3.41Å; F42-F84 HydrophobicContact CZ-CZ 4.1Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 3.35Å; F84-Q87 PolarHBondContact O-N 3.08Å; F84-L88 WeakPolarHBondContact O-CG 3.26Å; F84-L88 PolarHBondContact O-N 3.15Å; F84-L88 VanDerWaalsContact O-N 3.12Å; F84-F112 HydrophobicContact CE1-CD2 4.05Å; F84-F112 AromaticContact CE1-CE2 3.55Å; F84-F112 HydrophobicContact CE1-CE2 3.55Å; F84-F112 HydrophobicContact CE1-CZ 4.2Å; F84-F112 AromaticContact CZ-CD2 3.81Å; F84-F112 HydrophobicContact CZ-CD2 3.81Å; F84-F112 AromaticContact CZ-CE2 3.63Å; F84-F112 HydrophobicContact CZ-CE2 3.63Å; F84-A119 HydrophobicContact CE2-CB 4.02Å; F84-A119 HydrophobicContact CZ-CB 4.08Å; F84-G124 VanDerWaalsContact CZ-CA 3.41Å; F84-Q127 HydrophobicContact CB-CB 4Å; F84-Q127 HydrophobicContact CG-CB 4.42Å
85S89.7Confident88Confident46 Ų4624.6 Ų24.632%0.32214%0.139SC..Hα-helixtrans-61.4-40.4-177.4-55.80000112.1N83 Q87 L88 E89 Q127N83-S85 PolarHBondContact O-N 2.84Å; N83-S85 PolarHBondContact OD1-N 3.4Å; S85-Q87 PolarHBondContact O-N 2.87Å; S85-L88 PolarHBondContact O-N 2.91Å; S85-E89 WeakPolarHBondContact O-CB 3.34Å; S85-E89 WeakPolarHBondContact O-CG 3.24Å; S85-E89 PolarHBondContact O-N 3.03Å; S85-Q127 PolarHBondContact OG-OE1 3.25Å
86S92.7Very high89.4Confident47 Ų4720.1 Ų20.133%0.32912%0.12SC..Hα-helixtrans-65.4-42.6-179.4-54.60000111.3M82 N83 F84 L88 E89 A90M82-S86 VanDerWaalsContact CE-O 3.26Å; M82-S86 WeakPolarHBondContact CE-O 3.5Å; N83-S86 PolarHBondContact O-N 3.02Å; N83-S86 VanDerWaalsContact OD1-CB 3.26Å; N83-S86 WeakPolarHBondContact OD1-CB 3.28Å; N83-S86 PolarHBondContact OD1-N 3.17Å; N83-S86 PolarHBondContact OD1-OG 2.77Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 3.35Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.26Å; S86-E89 PolarHBondContact O-N 3.42Å; S86-A90 VanDerWaalsContact O-CB 3.28Å; S86-A90 WeakPolarHBondContact O-CB 3.19Å; S86-A90 PolarHBondContact O-N 2.82Å
87Q95.3Very high90.6Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-61.4-42.8176.5-69.6-176.450.700111.3S36 S39 M82 N83 F84 S85 A90 G91 V92 F95 V298S36-Q87 PolarHBondContact OG-OE1 3.36Å; S39-Q87 PolarHBondContact O-NE2 3.14Å; M82-Q87 HydrophobicContact CB-CG 3.57Å; M82-Q87 PolarHBondContact O-NE2 2.89Å; N83-Q87 WeakPolarHBondContact O-CG 3.41Å; N83-Q87 PolarHBondContact O-N 3.36Å; F84-Q87 PolarHBondContact O-N 3.08Å; S85-Q87 PolarHBondContact O-N 2.87Å; Q87-A90 PolarHBondContact O-N 3.22Å; Q87-G91 PolarHBondContact O-N 3.42Å; Q87-V92 HydrophobicContact CB-CB 4.07Å; Q87-V92 HydrophobicContact CB-CG2 4.1Å; Q87-V92 VanDerWaalsContact O-CB 3.29Å; Q87-V92 WeakPolarHBondContact O-CB 3.4Å; Q87-V92 WeakPolarHBondContact O-CG2 3.29Å; Q87-V92 PolarHBondContact O-N 3Å; Q87-F95 HydrophobicContact CB-CE1 4.12Å; Q87-V298 HydrophobicContact CG-CG2 4.39Å
88L96.8Very high91.6Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-62.9-47.8176.9-69.5161.6000112.3F84 S85 S86 A90 G91 R93 F95 I128 F131 V140F84-L88 WeakPolarHBondContact O-CG 3.26Å; F84-L88 PolarHBondContact O-N 3.15Å; F84-L88 VanDerWaalsContact O-N 3.12Å; S85-L88 PolarHBondContact O-N 2.91Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L88 PolarHBondContact O-N 3.26Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 3.27Å; L88-G91 PolarHBondContact O-N 3.44Å; L88-R93 PolarHBondContact O-NH1 3.16Å; L88-F95 HydrophobicContact CD2-CE2 3.68Å; L88-F95 HydrophobicContact CD2-CZ 3.5Å; L88-F95 HydrophobicContact CG-CE2 4.43Å; L88-F95 HydrophobicContact CG-CZ 3.82Å; L88-I128 HydrophobicContact CD1-CB 4.47Å; L88-I128 HydrophobicContact CD1-CG1 4.06Å; L88-F131 HydrophobicContact CB-CD1 4.05Å; L88-F131 HydrophobicContact CB-CD2 3.66Å; L88-F131 HydrophobicContact CB-CE1 4.17Å; L88-F131 HydrophobicContact CB-CE2 3.79Å; L88-F131 HydrophobicContact CB-CG 3.82Å; L88-F131 HydrophobicContact CB-CZ 4.05Å; L88-F131 HydrophobicContact CD1-CB 3.69Å; L88-F131 HydrophobicContact CD1-CD1 4.05Å; L88-F131 HydrophobicContact CD1-CD2 4.36Å; L88-F131 HydrophobicContact CD1-CG 3.77Å; L88-F131 HydrophobicContact CD2-CD1 3.8Å; L88-F131 HydrophobicContact CD2-CE1 3.99Å; L88-F131 HydrophobicContact CD2-CG 4.29Å; L88-F131 HydrophobicContact CG-CD1 4.19Å; L88-F131 HydrophobicContact CG-CG 4.17Å; L88-V140 HydrophobicContact CD2-CG1 3.86Å
89E96.6Very high92.5Very high62 Ų6219.7 Ų19.729%0.2911%0.113SC..Hα-helixtrans-61.6-34.8176.9-71.3-77171.700112.4F12 A13 S85 S86 G91F12-E89 PolarHBondContact N-O 2.92Å; F12-E89 VanDerWaalsContact N-O 3.13Å; A13-E89 PolarHBondContact N-O 3.31Å; S85-E89 WeakPolarHBondContact O-CB 3.34Å; S85-E89 WeakPolarHBondContact O-CG 3.24Å; S85-E89 PolarHBondContact O-N 3.03Å; S86-E89 PolarHBondContact O-N 3.42Å; E89-G91 PolarHBondContact O-N 3.44Å
90A95.9Very high93.1Very high24 Ų2419.6 Ų19.620%0.19811%0.113CC..Hα-helixtrans-73.2-15.7175.500000113.2F12 M82 S86 Q87 L88 V304F12-A90 WeakPolarHBondContact CB-O 3.35Å; F12-A90 WeakPolarHBondContact CD2-O 3.44Å; M82-A90 HydrophobicContact CE-CB 3.61Å; S86-A90 VanDerWaalsContact O-CB 3.28Å; S86-A90 WeakPolarHBondContact O-CB 3.19Å; S86-A90 PolarHBondContact O-N 2.82Å; Q87-A90 PolarHBondContact O-N 3.22Å; L88-A90 VanDerWaalsContact C-N 3.26Å; L88-A90 PolarHBondContact O-N 3.27Å; A90-V304 WeakPolarHBondContact O-CG1 3.41Å
91G97.9Very high93.3Very high0 Ų020.3 Ų20.30%012%0.117CC..THydrogen-bonded Turntrans114.2-0.1174.700000115.5W15 P34 Q87 L88 E89 R93W15-G91 PolarHBondContact NE1-O 3.26Å; P34-G91 WeakPolarHBondContact CG-O 3.26Å; Q87-G91 PolarHBondContact O-N 3.42Å; L88-G91 PolarHBondContact O-N 3.44Å; E89-G91 PolarHBondContact O-N 3.44Å; G91-R93 PolarHBondContact O-N 3.45Å
92V98.3Very high93.3Very high0 Ų018.9 Ų18.90%010%0.104CC..  trans-62.5132176.3177.70000110.1Q87 F94 F95 V298 V304Q87-V92 HydrophobicContact CB-CB 4.07Å; Q87-V92 HydrophobicContact CB-CG2 4.1Å; Q87-V92 VanDerWaalsContact O-CB 3.29Å; Q87-V92 WeakPolarHBondContact O-CB 3.4Å; Q87-V92 WeakPolarHBondContact O-CG2 3.29Å; Q87-V92 PolarHBondContact O-N 3Å; V92-F94 WeakPolarHBondContact CG1-O 3.42Å; V92-F95 HydrophobicContact CB-CE1 4.35Å; V92-F95 HydrophobicContact CB-CZ 4.38Å; V92-F95 HydrophobicContact CG1-CD1 4.12Å; V92-F95 HydrophobicContact CG1-CE1 3.62Å; V92-F95 HydrophobicContact CG1-CZ 3.87Å; V92-V298 HydrophobicContact CG2-CB 4.32Å; V92-V298 HydrophobicContact CG2-CG1 4.43Å; V92-V298 HydrophobicContact CG2-CG2 3.98Å; V92-V304 HydrophobicContact CG2-CG2 4.17Å
93R98.7Very high92.8Very high0 Ų021.6 Ų21.60%012%0.124CC..  trans-126.5-14.2178.1-65.9-67175.6-88.6-4.6113.7F12 A13 W15 M16 I33 P34 L88 G91 E138 V139 V140 F141F12-R93 PolarHBondContact O-NH2 3.02Å; A13-R93 PolarHBondContact O-NH2 3.18Å; W15-R93 HydrophobicContact CZ2-CG 4.07Å; M16-R93 HydrophobicContact CE-CB 3.83Å; M16-R93 HydrophobicContact CE-CG 3.73Å; M16-R93 HydrophobicContact SD-CG 4.02Å; I33-R93 HydrophobicContact CG2-CB 3.89Å; P34-R93 PolarHBondContact O-N 2.92Å; L88-R93 PolarHBondContact O-NH1 3.16Å; G91-R93 PolarHBondContact O-N 3.45Å; R93-E138 IonicContact CZ-OE2 3.33Å; R93-E138 IonicContact NE-OE2 2.89Å; R93-E138 PolarHBondContact NE-OE2 2.94Å; R93-E138 IonicContact NH2-OE2 3.43Å; R93-E138 PolarHBondContact NH2-OE2 2.92Å; R93-V139 WeakPolarHBondContact CB-O 3.28Å; R93-V139 VanDerWaalsContact CD-O 3.24Å; R93-V139 WeakPolarHBondContact CD-O 3.39Å; R93-V140 CarbonylContact O-C 3.48Å; R93-V140 VanDerWaalsContact O-CA 3.28Å; R93-V140 WeakPolarHBondContact O-CA 3.48Å; R93-F141 PolarHBondContact O-N 3.33Å
94F98.8Very high92.4Very high2 Ų230.3 Ų30.31%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-109.1131.7172.4175.2-83.9000111.2I33 P34 G35 S36 V92 D96 F141 D143 M212 V244 I292 T294I33-F94 HydrophobicContact CG2-CB 4.49Å; P34-F94 PolarHBondContact O-N 3.13Å; G35-F94 CarbonylContact C-O 3.5Å; G35-F94 WeakPolarHBondContact CA-O 3.44Å; S36-F94 PolarHBondContact N-O 3.01Å; S36-F94 PolarHBondContact OG-O 3.09Å; V92-F94 WeakPolarHBondContact CG1-O 3.42Å; F94-D96 HydrophobicContact CE1-CB 4.07Å; F94-F141 HydrophobicContact CB-CB 4.22Å; F94-F141 HydrophobicContact CD2-CB 3.59Å; F94-F141 HydrophobicContact CD2-CG 4.38Å; F94-F141 HydrophobicContact CE2-CB 4.44Å; F94-F141 HydrophobicContact CG-CB 4.32Å; F94-D143 HydrophobicContact CE1-CB 4.49Å; F94-D143 HydrophobicContact CE2-CB 3.7Å; F94-D143 HydrophobicContact CZ-CB 3.52Å; F94-M212 HydrophobicContact CD2-CE 4.34Å; F94-M212 HydrophobicContact CD2-SD 4.46Å; F94-M212 HydrophobicContact CE2-CE 3.94Å; F94-M212 HydrophobicContact CE2-CG 3.94Å; F94-M212 HydrophobicContact CE2-SD 3.76Å; F94-M212 HydrophobicContact CZ-CG 4.37Å; F94-V244 HydrophobicContact CE1-CG1 4.4Å; F94-V244 HydrophobicContact CE1-CG2 4.3Å; F94-V244 HydrophobicContact CE2-CG2 3.9Å; F94-V244 HydrophobicContact CZ-CG2 3.7Å; F94-I292 HydrophobicContact CB-CG1 4.46Å; F94-I292 HydrophobicContact CB-CG2 3.63Å; F94-I292 HydrophobicContact CD1-CG2 3.75Å; F94-I292 HydrophobicContact CD2-CD1 3.64Å; F94-I292 HydrophobicContact CD2-CG1 4.27Å; F94-I292 HydrophobicContact CD2-CG2 3.85Å; F94-I292 HydrophobicContact CE1-CG2 4.37Å; F94-I292 HydrophobicContact CE2-CD1 4.12Å; F94-I292 HydrophobicContact CE2-CG2 4.46Å; F94-I292 HydrophobicContact CG-CD1 4.35Å; F94-I292 HydrophobicContact CG-CG2 3.46Å; F94-I292 VanDerWaalsContact CG-CG2 3.46Å; F94-T294 HydrophobicContact CD1-CG2 3.52Å; F94-T294 HydrophobicContact CE1-CG2 3.62Å
95F98.1Very high92.1Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-123.2115.9177.3-57.8-80.4000110.6S36 S39 F40 Q87 L88 V92 L97 V140 F141 L142 D143S36-F95 WeakPolarHBondContact OG-CD1 3.35Å; S39-F95 WeakPolarHBondContact OG-CA 3.37Å; F40-F95 AromaticContact CE1-CD1 3.61Å; F40-F95 HydrophobicContact CE1-CD1 3.61Å; F40-F95 AromaticContact CE1-CE1 3.88Å; F40-F95 HydrophobicContact CE1-CE1 3.88Å; F40-F95 HydrophobicContact CE1-CG 4.41Å; F40-F95 HydrophobicContact CE2-CB 4.43Å; F40-F95 HydrophobicContact CE2-CD1 4.44Å; F40-F95 HydrophobicContact CZ-CB 4.12Å; F40-F95 AromaticContact CZ-CD1 3.4Å; F40-F95 HydrophobicContact CZ-CD1 3.4Å; F40-F95 VanDerWaalsContact CZ-CD1 3.4Å; F40-F95 AromaticContact CZ-CE1 3.9Å; F40-F95 HydrophobicContact CZ-CE1 3.9Å; F40-F95 AromaticContact CZ-CG 3.76Å; F40-F95 HydrophobicContact CZ-CG 3.76Å; Q87-F95 HydrophobicContact CB-CE1 4.12Å; L88-F95 HydrophobicContact CD2-CE2 3.68Å; L88-F95 HydrophobicContact CD2-CZ 3.5Å; L88-F95 HydrophobicContact CG-CE2 4.43Å; L88-F95 HydrophobicContact CG-CZ 3.82Å; V92-F95 HydrophobicContact CB-CE1 4.35Å; V92-F95 HydrophobicContact CB-CZ 4.38Å; V92-F95 HydrophobicContact CG1-CD1 4.12Å; V92-F95 HydrophobicContact CG1-CE1 3.62Å; V92-F95 HydrophobicContact CG1-CZ 3.87Å; F95-L97 HydrophobicContact CB-CD2 3.73Å; F95-L97 HydrophobicContact CB-CG 4.25Å; F95-V140 HydrophobicContact CE2-CB 4.46Å; F95-V140 HydrophobicContact CE2-CG1 4.17Å; F95-F141 PolarHBondContact N-O 3.19Å; F95-L142 HydrophobicContact CB-CD2 4.46Å; F95-L142 HydrophobicContact CD2-CD2 3.9Å; F95-D143 PolarHBondContact O-N 2.91Å
96D96.8Very high91.8Very high11 Ų1134.5 Ų34.56%0.05918%0.177CC..EExtended strand (participates in β ladder)trans-74.8116.2163.8175.217.6000109.2S36 H37 D38 S39 F94 N145S36-D96 PolarHBondContact O-N 3.47Å; H37-D96 IonicContact CD2-OD2 2.67Å; H37-D96 PolarHBondContact CD2-OD2 3.42Å; D38-D96 PolarHBondContact N-OD2 3.31Å; S39-D96 WeakPolarHBondContact CB-O 3.15Å; S39-D96 PolarHBondContact N-O 3.39Å; S39-D96 PolarHBondContact OG-N 3.25Å; S39-D96 PolarHBondContact OG-O 3.48Å; F94-D96 HydrophobicContact CE1-CB 4.07Å; D96-N145 WeakPolarHBondContact OD1-CB 3.26Å
97L95.6Very high91.5Very high2 Ų238 Ų381%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-117.1128.3-172.3-51179.9000111F40 F95 I99 F112 L142 D143 F144 N145F40-L97 HydrophobicContact CD2-CD2 3.35Å; F40-L97 HydrophobicContact CE2-CD2 3.13Å; F40-L97 HydrophobicContact CG-CD2 4.47Å; F40-L97 HydrophobicContact CZ-CD2 4.08Å; F95-L97 HydrophobicContact CB-CD2 3.73Å; F95-L97 HydrophobicContact CB-CG 4.25Å; L97-I99 HydrophobicContact CB-CD1 4.4Å; L97-F112 HydrophobicContact CB-CE1 4.34Å; L97-F112 HydrophobicContact CD1-CE1 4.22Å; L97-F112 HydrophobicContact CD2-CD1 4.3Å; L97-F112 HydrophobicContact CD2-CE1 3.87Å; L97-F112 HydrophobicContact CG-CE1 4.38Å; L97-L142 HydrophobicContact CD1-CB 3.93Å; L97-L142 HydrophobicContact CD1-CD2 4.39Å; L97-D143 WeakPolarHBondContact CA-O 3.3Å; L97-D143 VanDerWaalsContact CB-O 3.3Å; L97-D143 WeakPolarHBondContact CB-O 3.45Å; L97-D143 PolarHBondContact N-O 3.02Å; L97-F144 HydrophobicContact CB-CD1 4.22Å; L97-F144 HydrophobicContact CD1-CD1 4.06Å; L97-F144 HydrophobicContact CD1-CD2 4.15Å; L97-F144 HydrophobicContact CD1-CE1 3.8Å; L97-F144 HydrophobicContact CD1-CE2 3.87Å; L97-F144 HydrophobicContact CD1-CG 4.26Å; L97-F144 HydrophobicContact CD1-CZ 3.7Å; L97-N145 PolarHBondContact O-N 2.93Å
98R93.5Very high91.1Very high38 Ų3841.3 Ų41.314%0.14321%0.209CC..EExtended strand (participates in β ladder)trans-118.6121.5173.9-61.6-160.1-175.7152.922.9109.4D38 F112 A113 H114 H146 Y148D38-R98 VanDerWaalsContact CG-CZ 3.43Å; D38-R98 WeakPolarHBondContact OD1-CD 3.43Å; D38-R98 IonicContact OD1-CZ 3.03Å; D38-R98 IonicContact OD1-NE 3.36Å; D38-R98 PolarHBondContact OD1-NE 2.98Å; D38-R98 IonicContact OD1-NH1 3.78Å; D38-R98 PolarHBondContact OD1-NH1 3.32Å; D38-R98 IonicContact OD1-NH2 2.72Å; D38-R98 PolarHBondContact OD1-NH2 2.91Å; D38-R98 IonicContact OD2-CZ 3.91Å; D38-R98 VanDerWaalsContact OD2-CZ 3.26Å; D38-R98 IonicContact OD2-NH1 3.54Å; D38-R98 PolarHBondContact OD2-NH1 2.99Å; D38-R98 IonicContact OD2-NH2 3.96Å; D38-R98 PolarHBondContact OD2-NH2 2.82Å; R98-F112 CarbonylContact O-C 3.6Å; R98-F112 WeakPolarHBondContact O-CA 3.36Å; R98-A113 WeakPolarHBondContact CB-O 3.47Å; R98-A113 PolarHBondContact O-N 3.42Å; R98-H114 PolarHBondContact NH1-CD2 3.11Å; R98-H114 PolarHBondContact NH1-NE2 3.45Å; R98-H146 WeakPolarHBondContact CA-O 3.35Å; R98-H146 HydrophobicContact CB-CB 4.21Å; R98-H146 HydrophobicContact CG-CB 3.85Å; R98-Y148 HydrophobicContact CB-CE2 4.18Å
99I93.5Very high90.9Very high0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-106.4136-172.7-51.9-47.6000110.1L97 L110 F111 F112 V121 F144 H146 F147 Y148 V150 L158L97-I99 HydrophobicContact CB-CD1 4.4Å; I99-L110 HydrophobicContact CG2-CB 4.23Å; I99-L110 HydrophobicContact CG2-CD2 4.01Å; I99-F111 WeakPolarHBondContact CA-O 3.34Å; I99-F112 HydrophobicContact CD1-CD1 3.62Å; I99-F112 HydrophobicContact CD1-CE1 3.73Å; I99-V121 HydrophobicContact CD1-CG2 3.69Å; I99-V121 HydrophobicContact CG2-CG2 4.19Å; I99-F144 HydrophobicContact CD1-CD1 3.72Å; I99-F144 HydrophobicContact CD1-CE1 3.79Å; I99-F144 HydrophobicContact CG1-CD1 3.52Å; I99-F144 HydrophobicContact CG1-CE1 4Å; I99-H146 PolarHBondContact N-O 3.39Å; I99-F147 HydrophobicContact CB-CD1 3.9Å; I99-F147 HydrophobicContact CB-CE1 4.24Å; I99-F147 HydrophobicContact CG1-CD1 4.23Å; I99-F147 HydrophobicContact CG1-CE1 4.08Å; I99-F147 CarbonylContact O-C 3.53Å; I99-F147 WeakPolarHBondContact O-CA 3.5Å; I99-Y148 PolarHBondContact O-N 2.82Å; I99-V150 HydrophobicContact CG2-CG2 4.18Å; I99-L158 HydrophobicContact CG1-CD2 4.26Å
100S90.5Very high90.8Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-139.9153.7175.1-168.40000112.6F111 Y148S100-F111 PolarHBondContact N-O 2.79Å; S100-F111 PolarHBondContact O-N 3.44Å; S100-Y148 VanDerWaalsContact CA-O 3.25Å; S100-Y148 WeakPolarHBondContact CA-O 3.42Å; S100-Y148 PolarHBondContact OG-O 3.28Å; S100-Y148 VanDerWaalsContact OG-O 3.06Å
101T88.9Confident90.6Very high17 Ų1740.5 Ų40.510%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-100.9146.1166.157.10000109.5L110 F117 Y148 G149 V150T101-L110 HydrophobicContact CG2-CD2 3.94Å; T101-F117 WeakPolarHBondContact O-CE1 3.46Å; T101-Y148 PolarHBondContact N-O 2.76Å; T101-G149 VanDerWaalsContact OG1-C 3.28Å; T101-G149 PolarHBondContact OG1-O 3.19Å; T101-V150 HydrophobicContact CG2-CG2 4.47Å
102K82.5Confident90.2Very high49 Ų4940.6 Ų40.621%0.21320%0.202CC..PPolyproline II helixtrans-75.4136.3172.7-76.1176.8-176.5-1780109.5S48 R104 D105 F111 F117S48-K102 WeakPolarHBondContact OG-CE 3.48Å; S48-K102 PolarHBondContact OG-NZ 3.29Å; S48-K102 VanDerWaalsContact OG-NZ 3.13Å; K102-R104 PolarHBondContact O-N 3.3Å; K102-D105 HydrophobicContact CB-CB 3.94Å; K102-D105 VanDerWaalsContact O-CB 3.27Å; K102-D105 WeakPolarHBondContact O-CB 3.29Å; K102-D105 PolarHBondContact O-N 3.02Å; K102-D105 VanDerWaalsContact O-N 3.13Å; K102-F111 HydrophobicContact CB-CE2 4.37Å; K102-F111 HydrophobicContact CD-CD2 4.2Å; K102-F111 HydrophobicContact CD-CE1 4.48Å; K102-F111 HydrophobicContact CD-CE2 3.66Å; K102-F111 HydrophobicContact CD-CZ 3.83Å; K102-F111 HydrophobicContact CG-CD2 3.96Å; K102-F111 HydrophobicContact CG-CE2 3.78Å; K102-F111 HydrophobicContact CG-CZ 4.45Å; K102-F117 HydrophobicContact CB-CE1 4.34Å; K102-F117 HydrophobicContact CB-CZ 4.33Å; K102-F117 HydrophobicContact CG-CD1 3.67Å; K102-F117 HydrophobicContact CG-CD2 4.1Å; K102-F117 HydrophobicContact CG-CE1 3.55Å; K102-F117 HydrophobicContact CG-CE2 4.01Å; K102-F117 HydrophobicContact CG-CG 3.95Å; K102-F117 HydrophobicContact CG-CZ 3.74Å
103P75.8Confident89.3Confident86 Ų8640.9 Ų40.956%0.55820%0.204SC*.THydrogen-bonded Turntrans-56.9127.2175.7-25.533.7000111.4D105P103-D105 PolarHBondContact O-N 2.69Å
104R77.2Confident88Confident250 Ų25042.6 Ų42.694%0.94321%0.212SC*.THydrogen-bonded Turntrans61.525.8-179.5-49.7176.8-178172.40.6114.4K102 P106K102-R104 PolarHBondContact O-N 3.3Å; R104-P106 WeakPolarHBondContact O-CD 3.37Å
105D81.3Confident86.2Confident29 Ų2942.5 Ų42.516%0.15521%0.212CC..  trans-65.2115.8172-174.79000110.6K102 P103 D107 N108 E109K102-D105 HydrophobicContact CB-CB 3.94Å; K102-D105 VanDerWaalsContact O-CB 3.27Å; K102-D105 WeakPolarHBondContact O-CB 3.29Å; K102-D105 PolarHBondContact O-N 3.02Å; K102-D105 VanDerWaalsContact O-N 3.13Å; P103-D105 PolarHBondContact O-N 2.69Å; D105-D107 PolarHBondContact O-N 3.37Å; D105-D107 PolarHBondContact OD1-N 2.9Å; D105-N108 PolarHBondContact O-N 3.27Å; D105-E109 WeakPolarHBondContact OD2-CA 3.47Å; D105-E109 VanDerWaalsContact OD2-CB 3.27Å; D105-E109 WeakPolarHBondContact OD2-CB 3.08Å; D105-E109 PolarHBondContact OD2-N 3.12Å
106P82.3Confident84.5Confident108 Ų10843 Ų4370%0.70121%0.214SC*.THydrogen-bonded Turntrans-64.2-25.1-18027.8-35.6000112.5R104R104-P106 WeakPolarHBondContact O-CD 3.37Å
107D86.5Confident83.3Confident119 Ų11942.6 Ų42.664%0.63621%0.212SC*.THydrogen-bonded Turntrans-92.4-2.5-173.8-59.8-39.4000112.8D105 E109 K157D105-D107 PolarHBondContact O-N 3.37Å; D105-D107 PolarHBondContact OD1-N 2.9Å; D107-E109 PolarHBondContact O-N 3.48Å; D107-K157 PolarHBondContact O-NZ 3.46Å
108N86.8Confident82.4Confident70 Ų7042.8 Ų42.837%0.37421%0.213SC..  trans46.645.7-174.7-65.7-68.9000111.2D105 L153 H154 K157D105-N108 PolarHBondContact O-N 3.27Å; N108-L153 HydrophobicContact CB-CD1 4.23Å; N108-H154 WeakPolarHBondContact CB-NE2 3.21Å; N108-H154 PolarHBondContact OD1-NE2 3.33Å; N108-K157 PolarHBondContact O-NZ 3.37Å
109E93.8Very high82.1Confident47 Ų4741.5 Ų41.522%0.2221%0.211CC..  trans-78.2147.2-174-166.660-76.500111.8D105 D107 F111 T120 K157D105-E109 WeakPolarHBondContact OD2-CA 3.47Å; D105-E109 VanDerWaalsContact OD2-CB 3.27Å; D105-E109 WeakPolarHBondContact OD2-CB 3.08Å; D105-E109 PolarHBondContact OD2-N 3.12Å; D107-E109 PolarHBondContact O-N 3.48Å; E109-F111 HydrophobicContact CB-CE2 3.65Å; E109-F111 HydrophobicContact CB-CZ 3.86Å; E109-F111 HydrophobicContact CG-CE1 4.43Å; E109-F111 HydrophobicContact CG-CE2 3.95Å; E109-F111 HydrophobicContact CG-CZ 3.82Å; E109-T120 HydrophobicContact CG-CG2 4.13Å; E109-K157 WeakPolarHBondContact OE1-CE 3.46Å; E109-K157 IonicContact OE1-NZ 3.27Å; E109-K157 PolarHBondContact OE1-NZ 2.89Å; E109-K157 IonicContact OE2-NZ 3.89Å
110L94.4Very high82Confident0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-100.1129.2178.3-59.9176.3000110I99 T101 T120 V121 H154 L158 M161I99-L110 HydrophobicContact CG2-CB 4.23Å; I99-L110 HydrophobicContact CG2-CD2 4.01Å; T101-L110 HydrophobicContact CG2-CD2 3.94Å; L110-T120 WeakPolarHBondContact O-CA 3.47Å; L110-V121 HydrophobicContact CB-CB 4.02Å; L110-V121 HydrophobicContact CB-CG2 3.69Å; L110-V121 PolarHBondContact O-N 3.03Å; L110-H154 HydrophobicContact CD2-CB 4.03Å; L110-L158 HydrophobicContact CD1-CB 3.66Å; L110-L158 HydrophobicContact CD1-CD1 4.21Å; L110-L158 HydrophobicContact CD1-CG 4.35Å; L110-M161 HydrophobicContact CD1-CE 4.5Å
111F91.3Very high82.2Confident22 Ų2243.2 Ų43.210%0.09622%0.222CC..EExtended strand (participates in β ladder)trans-122.3149.1178.2-60.3-88.9000110.2I99 S100 K102 E109 F117 T120I99-F111 WeakPolarHBondContact CA-O 3.34Å; S100-F111 PolarHBondContact N-O 2.79Å; S100-F111 PolarHBondContact O-N 3.44Å; K102-F111 HydrophobicContact CB-CE2 4.37Å; K102-F111 HydrophobicContact CD-CD2 4.2Å; K102-F111 HydrophobicContact CD-CE1 4.48Å; K102-F111 HydrophobicContact CD-CE2 3.66Å; K102-F111 HydrophobicContact CD-CZ 3.83Å; K102-F111 HydrophobicContact CG-CD2 3.96Å; K102-F111 HydrophobicContact CG-CE2 3.78Å; K102-F111 HydrophobicContact CG-CZ 4.45Å; E109-F111 HydrophobicContact CB-CE2 3.65Å; E109-F111 HydrophobicContact CB-CZ 3.86Å; E109-F111 HydrophobicContact CG-CE1 4.43Å; E109-F111 HydrophobicContact CG-CE2 3.95Å; E109-F111 HydrophobicContact CG-CZ 3.82Å; F111-F117 HydrophobicContact CB-CD1 3.94Å; F111-F117 HydrophobicContact CD2-CD1 4.29Å; F111-F117 HydrophobicContact CG-CD1 4.2Å; F111-T120 HydrophobicContact CD1-CG2 4.17Å; F111-T120 HydrophobicContact CE1-CG2 3.82Å
112F90.1Very high82.6Confident3 Ų346.3 Ų46.31%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-70.5145159.3-60.6-66.8000109.5F40 F84 L97 R98 I99 S118 A119 V121F40-F112 HydrophobicContact CB-CB 3.91Å; F40-F112 HydrophobicContact CB-CD1 4.45Å; F40-F112 HydrophobicContact CB-CD2 4.04Å; F40-F112 HydrophobicContact CB-CG 3.88Å; F40-F112 AromaticContact CD2-CD1 3.77Å; F40-F112 HydrophobicContact CD2-CD1 3.77Å; F40-F112 AromaticContact CD2-CD2 3.88Å; F40-F112 HydrophobicContact CD2-CD2 3.88Å; F40-F112 AromaticContact CD2-CE1 3.68Å; F40-F112 HydrophobicContact CD2-CE1 3.68Å; F40-F112 AromaticContact CD2-CE2 3.77Å; F40-F112 HydrophobicContact CD2-CE2 3.77Å; F40-F112 AromaticContact CD2-CG 3.87Å; F40-F112 HydrophobicContact CD2-CG 3.87Å; F40-F112 AromaticContact CD2-CZ 3.67Å; F40-F112 HydrophobicContact CD2-CZ 3.67Å; F40-F112 HydrophobicContact CE2-CE1 4.14Å; F40-F112 HydrophobicContact CE2-CE2 4.32Å; F40-F112 AromaticContact CE2-CZ 3.95Å; F40-F112 HydrophobicContact CE2-CZ 3.95Å; F40-F112 HydrophobicContact CG-CD2 4.33Å; F40-F112 HydrophobicContact CG-CG 4.36Å; F84-F112 HydrophobicContact CE1-CD2 4.05Å; F84-F112 AromaticContact CE1-CE2 3.55Å; F84-F112 HydrophobicContact CE1-CE2 3.55Å; F84-F112 HydrophobicContact CE1-CZ 4.2Å; F84-F112 AromaticContact CZ-CD2 3.81Å; F84-F112 HydrophobicContact CZ-CD2 3.81Å; F84-F112 AromaticContact CZ-CE2 3.63Å; F84-F112 HydrophobicContact CZ-CE2 3.63Å; L97-F112 HydrophobicContact CB-CE1 4.34Å; L97-F112 HydrophobicContact CD1-CE1 4.22Å; L97-F112 HydrophobicContact CD2-CD1 4.3Å; L97-F112 HydrophobicContact CD2-CE1 3.87Å; L97-F112 HydrophobicContact CG-CE1 4.38Å; R98-F112 CarbonylContact O-C 3.6Å; R98-F112 WeakPolarHBondContact O-CA 3.36Å; I99-F112 HydrophobicContact CD1-CD1 3.62Å; I99-F112 HydrophobicContact CD1-CE1 3.73Å; F112-S118 WeakPolarHBondContact O-CB 3.46Å; F112-S118 PolarHBondContact O-N 3.34Å; F112-A119 PolarHBondContact N-O 3.34Å; F112-A119 VanDerWaalsContact N-O 3.07Å; F112-V121 HydrophobicContact CD1-CG2 4.22Å; F112-V121 HydrophobicContact CE1-CG1 4.23Å; F112-V121 HydrophobicContact CE1-CG2 4.08Å; F112-V121 HydrophobicContact CE2-CB 4.42Å; F112-V121 HydrophobicContact CE2-CG2 4.44Å; F112-V121 HydrophobicContact CG-CG2 4.46Å; F112-V121 HydrophobicContact CZ-CB 4.2Å; F112-V121 HydrophobicContact CZ-CG1 3.97Å; F112-V121 HydrophobicContact CZ-CG2 4.21Å
113A78.8Confident83.1Confident6 Ų648.2 Ų48.25%0.0524%0.241CC..EExtended strand (participates in β ladder)trans-149.9139.9-176.900000114.3R98 L116R98-A113 WeakPolarHBondContact CB-O 3.47Å; R98-A113 PolarHBondContact O-N 3.42Å; A113-L116 WeakPolarHBondContact CA-O 3.37Å
114H71.5Confident84Confident36 Ų3644.1 Ų44.117%0.16721%0.214CC..SBendtrans-14791.5165.3-177-125.8000109.9D38 L77 R98 L116D38-H114 HydrophobicContact CB-CB 4.4Å; D38-H114 IonicContact OD1-CD2 3.98Å; D38-H114 IonicContact OD1-CG 3.81Å; D38-H114 IonicContact OD2-CD2 3.03Å; D38-H114 PolarHBondContact OD2-CD2 2.8Å; D38-H114 VanDerWaalsContact OD2-CD2 3.24Å; D38-H114 IonicContact OD2-CE1 3.57Å; D38-H114 PolarHBondContact OD2-CE1 2.96Å; D38-H114 IonicContact OD2-CG 3.58Å; D38-H114 IonicContact OD2-ND1 3.98Å; D38-H114 IonicContact OD2-NE2 2.75Å; D38-H114 PolarHBondContact OD2-NE2 3.44Å; D38-H114 VanDerWaalsContact OD2-NE2 3.12Å; L77-H114 PolarHBondContact O-ND1 2.73Å; R98-H114 PolarHBondContact NH1-CD2 3.11Å; R98-H114 PolarHBondContact NH1-NE2 3.45Å; H114-L116 PolarHBondContact N-O 3.05Å; H114-L116 VanDerWaalsContact N-O 3.12Å; H114-L116 PolarHBondContact O-N 3.34Å
115G60.1Low85Confident0 Ų032.2 Ų32.20%017%0.17CC..SBendtrans74.9-32-169.300000114.4G51 E53G51-G115 PolarHBondContact N-O 2.9Å; E53-G115 VanDerWaalsContact OE1-C 3.31Å; E53-G115 WeakPolarHBondContact OE1-CA 3.25Å; E53-G115 PolarHBondContact OE1-N 3.09Å
116L63.8Low85.8Confident11 Ų1135 Ų356%0.05818%0.181CC..BIsolated β-bridgetrans-142.5155.8-179-61.8170.1000110.2I44 V50 L77 A113 H114I44-L116 HydrophobicContact CB-CB 4.49Å; I44-L116 HydrophobicContact CD1-CB 4.23Å; I44-L116 HydrophobicContact CD1-CD1 4.08Å; I44-L116 HydrophobicContact CG1-CB 4.27Å; I44-L116 HydrophobicContact CG2-CB 3.6Å; I44-L116 HydrophobicContact CG2-CD1 3.34Å; I44-L116 HydrophobicContact CG2-CG 4.02Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å; L77-L116 HydrophobicContact CD1-CD1 3.79Å; L77-L116 HydrophobicContact CD1-CG 3.84Å; A113-L116 WeakPolarHBondContact CA-O 3.37Å; H114-L116 PolarHBondContact N-O 3.05Å; H114-L116 VanDerWaalsContact N-O 3.12Å; H114-L116 PolarHBondContact O-N 3.34Å
117F70.4Confident86.4Confident1 Ų131.9 Ų31.90%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-75.8138.6180-61.6-83.9000112.1D45 P49 T101 K102 F111D45-F117 PolarHBondContact N-O 3.48Å; P49-F117 HydrophobicContact CG-CD2 4.46Å; P49-F117 HydrophobicContact CG-CE2 3.98Å; P49-F117 WeakPolarHBondContact O-CD2 3.49Å; T101-F117 WeakPolarHBondContact O-CE1 3.46Å; K102-F117 HydrophobicContact CB-CE1 4.34Å; K102-F117 HydrophobicContact CB-CZ 4.33Å; K102-F117 HydrophobicContact CG-CD1 3.67Å; K102-F117 HydrophobicContact CG-CD2 4.1Å; K102-F117 HydrophobicContact CG-CE1 3.55Å; K102-F117 HydrophobicContact CG-CE2 4.01Å; K102-F117 HydrophobicContact CG-CG 3.95Å; K102-F117 HydrophobicContact CG-CZ 3.74Å; F111-F117 HydrophobicContact CB-CD1 3.94Å; F111-F117 HydrophobicContact CD2-CD1 4.29Å; F111-F117 HydrophobicContact CG-CD1 4.2Å
118S78.1Confident87Confident6 Ų626.2 Ų26.24%0.04213%0.127CC..EExtended strand (participates in β ladder)trans-113-153.1177.8-174.30000111.1F40 Y43 F112F40-S118 WeakPolarHBondContact O-CB 3.44Å; F40-S118 PolarHBondContact O-OG 3.2Å; Y43-S118 VanDerWaalsContact O-CA 3.24Å; Y43-S118 WeakPolarHBondContact O-CA 3.48Å; Y43-S118 WeakPolarHBondContact O-CB 3.36Å; Y43-S118 PolarHBondContact O-OG 3.36Å; F112-S118 WeakPolarHBondContact O-CB 3.46Å; F112-S118 PolarHBondContact O-N 3.34Å
119A85.7Confident87.5Confident11 Ų1123.6 Ų23.69%0.09112%0.115CC..EExtended strand (participates in β ladder)trans-57.7158.5173.700000112.2F84 F112F84-A119 HydrophobicContact CE2-CB 4.02Å; F84-A119 HydrophobicContact CZ-CB 4.08Å; F112-A119 PolarHBondContact N-O 3.34Å; F112-A119 VanDerWaalsContact N-O 3.07Å
120T92.4Very high87.7Confident37 Ų3725.3 Ų25.323%0.22713%0.131CC..EExtended strand (participates in β ladder)trans-64.8150.1172.666.90000110.2E109 L110 F111 R122 E123 G124E109-T120 HydrophobicContact CG-CG2 4.13Å; L110-T120 WeakPolarHBondContact O-CA 3.47Å; F111-T120 HydrophobicContact CD1-CG2 4.17Å; F111-T120 HydrophobicContact CE1-CG2 3.82Å; T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.45Å; T120-E123 PolarHBondContact O-N 3.32Å; T120-E123 VanDerWaalsContact OG1-CB 3.29Å; T120-E123 WeakPolarHBondContact OG1-CB 3.26Å; T120-E123 PolarHBondContact OG1-N 2.99Å; T120-G124 PolarHBondContact O-N 2.87Å
121V95.4Very high87.9Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-60.3-42.9177.4177.40000110.5I99 L110 F112 E123 G124 L125 F144 L158 M161I99-V121 HydrophobicContact CD1-CG2 3.69Å; I99-V121 HydrophobicContact CG2-CG2 4.19Å; L110-V121 HydrophobicContact CB-CB 4.02Å; L110-V121 HydrophobicContact CB-CG2 3.69Å; L110-V121 PolarHBondContact O-N 3.03Å; F112-V121 HydrophobicContact CD1-CG2 4.22Å; F112-V121 HydrophobicContact CE1-CG1 4.23Å; F112-V121 HydrophobicContact CE1-CG2 4.08Å; F112-V121 HydrophobicContact CE2-CB 4.42Å; F112-V121 HydrophobicContact CE2-CG2 4.44Å; F112-V121 HydrophobicContact CG-CG2 4.46Å; F112-V121 HydrophobicContact CZ-CB 4.2Å; F112-V121 HydrophobicContact CZ-CG1 3.97Å; F112-V121 HydrophobicContact CZ-CG2 4.21Å; V121-E123 PolarHBondContact O-N 3.47Å; V121-G124 PolarHBondContact O-N 3.03Å; V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.01Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 2.99Å; V121-F144 HydrophobicContact CG1-CE1 4.41Å; V121-L158 HydrophobicContact CG1-CD1 3.68Å; V121-M161 HydrophobicContact CB-SD 4.14Å; V121-M161 HydrophobicContact CG1-SD 3.92Å
122R96.3Very high88.3Confident82 Ų8224.9 Ų24.931%0.30913%0.13SC..Hα-helixtrans-54-51.5178.7175.3166.6-72.4-75.41.5112.4T120 G124 L125 E126 M161 D164T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.45Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.25Å; R122-L125 PolarHBondContact O-N 3.46Å; R122-E126 WeakPolarHBondContact CD-OE1 3.33Å; R122-E126 HydrophobicContact CG-CG 4.29Å; R122-E126 WeakPolarHBondContact CG-OE1 3.43Å; R122-E126 IonicContact CZ-OE1 3.24Å; R122-E126 IonicContact NH1-OE1 3.68Å; R122-E126 PolarHBondContact NH1-OE1 3.38Å; R122-E126 WeakPolarHBondContact O-CB 3.36Å; R122-E126 WeakPolarHBondContact O-CG 3.34Å; R122-E126 PolarHBondContact O-N 3.37Å; R122-M161 WeakPolarHBondContact CA-SD 3.06Å; R122-M161 HydrophobicContact CB-CE 3.92Å; R122-M161 HydrophobicContact CB-CG 4.44Å; R122-M161 HydrophobicContact CB-SD 3.69Å; R122-M161 PolarHBondContact N-SD 2.92Å; R122-M161 VanDerWaalsContact N-SD 3.4Å; R122-D164 IonicContact NH2-OD2 3.58Å
123E94Very high88.6Confident89 Ų8928.3 Ų28.342%0.41615%0.154SC..Hα-helixtrans-56.9-44.2-179.6-177.4-168.6159.100111.7T120 V121 E126 Q127T120-E123 PolarHBondContact O-N 3.32Å; T120-E123 VanDerWaalsContact OG1-CB 3.29Å; T120-E123 WeakPolarHBondContact OG1-CB 3.26Å; T120-E123 PolarHBondContact OG1-N 2.99Å; V121-E123 PolarHBondContact O-N 3.47Å; E123-E126 PolarHBondContact O-N 3.23Å; E123-Q127 WeakPolarHBondContact O-CG 3.46Å; E123-Q127 PolarHBondContact O-N 3.31Å; E123-Q127 PolarHBondContact OE1-NE2 3.43Å
124G93.6Very high89.6Confident0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-65.7-43.8178.100000113.4F84 T120 V121 R122 E126 Q127 I128F84-G124 VanDerWaalsContact CZ-CA 3.41Å; T120-G124 PolarHBondContact O-N 2.87Å; V121-G124 PolarHBondContact O-N 3.03Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.25Å; G124-E126 VanDerWaalsContact C-N 3.32Å; G124-E126 PolarHBondContact O-N 2.86Å; G124-Q127 PolarHBondContact O-N 3.11Å; G124-I128 VanDerWaalsContact O-CG1 3.3Å; G124-I128 WeakPolarHBondContact O-CG1 3.32Å; G124-I128 PolarHBondContact O-N 3.02Å
125L97.8Very high90.8Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-63.5-39.3177.2-61.5-175.1000111.5V121 R122 I128 S129 L142 F144 M161 L162 V165 F166V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.01Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 2.99Å; R122-L125 PolarHBondContact O-N 3.46Å; L125-I128 PolarHBondContact O-N 3.42Å; L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3.06Å; L125-L142 HydrophobicContact CD2-CD1 3.94Å; L125-F144 HydrophobicContact CD2-CZ 4.32Å; L125-M161 HydrophobicContact CD1-CG 4.04Å; L125-M161 HydrophobicContact CD1-SD 3.99Å; L125-L162 HydrophobicContact CD1-CD2 3.76Å; L125-L162 HydrophobicContact CD1-CG 4.25Å; L125-L162 HydrophobicContact CD2-CD2 4.32Å; L125-V165 HydrophobicContact CB-CB 4.39Å; L125-V165 HydrophobicContact CB-CG1 3.86Å; L125-V165 HydrophobicContact CB-CG2 4.39Å; L125-V165 WeakPolarHBondContact O-CG1 3.32Å; L125-F166 HydrophobicContact CB-CE2 4.17Å; L125-F166 HydrophobicContact CB-CZ 4.07Å; L125-F166 HydrophobicContact CD1-CE2 4.37Å; L125-F166 HydrophobicContact CD2-CE2 3.85Å; L125-F166 HydrophobicContact CD2-CZ 3.98Å; L125-F166 HydrophobicContact CG-CE2 4.32Å
126E97.8Very high92.6Very high86 Ų8634.4 Ų34.440%0.40221%0.206SC..Hα-helixtrans-66.9-37.6177.8-74.3170.1-177.500112.1R122 E123 G124 S129 S130 V165R122-E126 WeakPolarHBondContact CD-OE1 3.33Å; R122-E126 HydrophobicContact CG-CG 4.29Å; R122-E126 WeakPolarHBondContact CG-OE1 3.43Å; R122-E126 IonicContact CZ-OE1 3.24Å; R122-E126 IonicContact NH1-OE1 3.68Å; R122-E126 PolarHBondContact NH1-OE1 3.38Å; R122-E126 WeakPolarHBondContact O-CB 3.36Å; R122-E126 WeakPolarHBondContact O-CG 3.34Å; R122-E126 PolarHBondContact O-N 3.37Å; E123-E126 PolarHBondContact O-N 3.23Å; G124-E126 VanDerWaalsContact C-N 3.32Å; G124-E126 PolarHBondContact O-N 2.86Å; E126-S129 PolarHBondContact O-N 3.17Å; E126-S130 WeakPolarHBondContact O-CB 3.18Å; E126-S130 PolarHBondContact O-N 3.07Å; E126-S130 PolarHBondContact O-OG 3.39Å; E126-V165 HydrophobicContact CG-CG1 4.34Å; E126-V165 HydrophobicContact CG-CG2 4.03Å
127Q96.3Very high94.2Very high43 Ų4340.6 Ų40.620%0.20123%0.229CC..Hα-helixtrans-64-42.9172.1-74.3-178.554.100111.9F84 S85 E123 G124 S130 F131F84-Q127 HydrophobicContact CB-CB 4Å; F84-Q127 HydrophobicContact CG-CB 4.42Å; S85-Q127 PolarHBondContact OG-OE1 3.25Å; E123-Q127 WeakPolarHBondContact O-CG 3.46Å; E123-Q127 PolarHBondContact O-N 3.31Å; E123-Q127 PolarHBondContact OE1-NE2 3.43Å; G124-Q127 PolarHBondContact O-N 3.11Å; Q127-S130 PolarHBondContact O-N 3.19Å; Q127-F131 PolarHBondContact O-N 2.89Å; Q127-F131 VanDerWaalsContact O-N 3.11Å
128I98.1Very high95.6Very high0 Ų040.5 Ų40.50%023%0.229CC..Hα-helixtrans-63.5-45.8175.4-65.6162.6000110.5F40 L88 G124 L125 S130 F131 L132 V140 L142 F166F40-I128 HydrophobicContact CE2-CD1 4.4Å; F40-I128 HydrophobicContact CZ-CD1 4.18Å; L88-I128 HydrophobicContact CD1-CB 4.47Å; L88-I128 HydrophobicContact CD1-CG1 4.06Å; G124-I128 VanDerWaalsContact O-CG1 3.3Å; G124-I128 WeakPolarHBondContact O-CG1 3.32Å; G124-I128 PolarHBondContact O-N 3.02Å; L125-I128 PolarHBondContact O-N 3.42Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.47Å; I128-F131 WeakPolarHBondContact O-CB 3.46Å; I128-F131 PolarHBondContact O-N 2.66Å; I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.34Å; I128-L132 WeakPolarHBondContact O-CG 3.17Å; I128-L132 PolarHBondContact O-N 2.93Å; I128-V140 HydrophobicContact CG2-CG1 4.42Å; I128-V140 HydrophobicContact CG2-CG2 3.88Å; I128-L142 HydrophobicContact CD1-CD2 3.9Å; I128-F166 HydrophobicContact CB-CE1 4.32Å; I128-F166 HydrophobicContact CB-CZ 4.29Å; I128-F166 HydrophobicContact CG2-CE1 3.94Å; I128-F166 HydrophobicContact CG2-CZ 4.06Å
129S98.4Very high96.6Very high16 Ų1640.2 Ų40.211%0.11223%0.227CC..Hα-helixtrans-62.5-37.6179-169.80000112.3L125 E126 L132 S133 V165L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3.06Å; E126-S129 PolarHBondContact O-N 3.17Å; S129-L132 PolarHBondContact O-N 3.15Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 3.19Å; S129-S133 PolarHBondContact O-OG 2.81Å; S129-V165 PolarHBondContact OG-O 3.02Å
130S98.2Very high97.2Very high82 Ų8239.7 Ų39.757%0.57322%0.223SC*.Hα-helixtrans-62.7-44.5174.6-60.30000111.7E126 Q127 I128 S133 A134E126-S130 WeakPolarHBondContact O-CB 3.18Å; E126-S130 PolarHBondContact O-N 3.07Å; E126-S130 PolarHBondContact O-OG 3.39Å; Q127-S130 PolarHBondContact O-N 3.19Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.47Å; S130-S133 PolarHBondContact O-N 2.75Å; S130-A134 PolarHBondContact O-N 2.99Å
131F98.2Very high97.5Very high14 Ų1438 Ų386%0.06121%0.212CC..Hα-helixtrans-61-50.2174.3172.2-92000111.7A13 L88 Q127 I128 S133 A134 H135 E138A13-F131 HydrophobicContact CB-CE2 4.26Å; A13-F131 WeakPolarHBondContact O-CZ 3.47Å; L88-F131 HydrophobicContact CB-CD1 4.05Å; L88-F131 HydrophobicContact CB-CD2 3.66Å; L88-F131 HydrophobicContact CB-CE1 4.17Å; L88-F131 HydrophobicContact CB-CE2 3.79Å; L88-F131 HydrophobicContact CB-CG 3.82Å; L88-F131 HydrophobicContact CB-CZ 4.05Å; L88-F131 HydrophobicContact CD1-CB 3.69Å; L88-F131 HydrophobicContact CD1-CD1 4.05Å; L88-F131 HydrophobicContact CD1-CD2 4.36Å; L88-F131 HydrophobicContact CD1-CG 3.77Å; L88-F131 HydrophobicContact CD2-CD1 3.8Å; L88-F131 HydrophobicContact CD2-CE1 3.99Å; L88-F131 HydrophobicContact CD2-CG 4.29Å; L88-F131 HydrophobicContact CG-CD1 4.19Å; L88-F131 HydrophobicContact CG-CG 4.17Å; Q127-F131 PolarHBondContact O-N 2.89Å; Q127-F131 VanDerWaalsContact O-N 3.11Å; I128-F131 WeakPolarHBondContact O-CB 3.46Å; I128-F131 PolarHBondContact O-N 2.66Å; F131-S133 PolarHBondContact O-N 2.98Å; F131-A134 CarbonylContact O-C 3.59Å; F131-A134 WeakPolarHBondContact O-CA 3.3Å; F131-A134 WeakPolarHBondContact O-CB 3.42Å; F131-A134 PolarHBondContact O-N 3.01Å; F131-H135 AromaticContact CD2-CD2 3.35Å; F131-H135 WeakPolarHBondContact CD2-CD2 3.37Å; F131-H135 AromaticContact CD2-NE2 3.85Å; F131-H135 HydrophobicContact CE1-CB 4.16Å; F131-H135 AromaticContact CE2-CD2 3.18Å; F131-H135 WeakPolarHBondContact CE2-CD2 3.33Å; F131-H135 AromaticContact CE2-CG 3.85Å; F131-H135 AromaticContact CE2-NE2 3.56Å; F131-H135 AromaticContact CG-CD2 3.95Å; F131-H135 HydrophobicContact CZ-CB 4.07Å; F131-H135 AromaticContact CZ-CD2 3.63Å; F131-H135 AromaticContact CZ-CG 3.85Å; F131-H135 PolarHBondContact O-CD2 3.42Å; F131-H135 VanDerWaalsContact O-CD2 3.24Å; F131-H135 PolarHBondContact O-N 2.97Å; F131-E138 HydrophobicContact CE1-CB 4.06Å; F131-E138 HydrophobicContact CE1-CG 4.38Å; F131-E138 HydrophobicContact CZ-CG 4.41Å
132L98.6Very high97.7Very high0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-60.6-30.9-179.9-68.7176000112.9I128 S129 A134 H135 A136 E138 V140 F166 K169 Q190 V191I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.34Å; I128-L132 WeakPolarHBondContact O-CG 3.17Å; I128-L132 PolarHBondContact O-N 2.93Å; S129-L132 PolarHBondContact O-N 3.15Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-H135 CarbonylContact O-C 3.43Å; L132-H135 VanDerWaalsContact O-C 3.27Å; L132-H135 PolarHBondContact O-N 2.87Å; L132-A136 PolarHBondContact O-N 2.92Å; L132-E138 WeakPolarHBondContact CD2-O 3.46Å; L132-V140 HydrophobicContact CD1-CG2 3.83Å; L132-V140 HydrophobicContact CD2-CG1 4.04Å; L132-V140 HydrophobicContact CD2-CG2 4.34Å; L132-F166 HydrophobicContact CD1-CD1 4.42Å; L132-F166 HydrophobicContact CD1-CE1 4.22Å; L132-K169 HydrophobicContact CB-CD 4.35Å; L132-Q190 HydrophobicContact CD1-CB 4.06Å; L132-Q190 HydrophobicContact CD2-CB 4.11Å; L132-Q190 HydrophobicContact CG-CB 4.49Å; L132-Q190 PolarHBondContact O-NE2 2.67Å; L132-Q190 PolarHBondContact O-OE1 2.84Å; L132-V191 HydrophobicContact CD1-CG2 3.45Å; L132-V191 VanDerWaalsContact CD1-CG2 3.45Å
133S98.1Very high97.8Very high74 Ų7434.1 Ų34.152%0.51720%0.197SC..Hα-helixtrans-71.2-28.9175.1-56.40000112.8S129 S130 F131 K169S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 3.19Å; S129-S133 PolarHBondContact O-OG 2.81Å; S130-S133 PolarHBondContact O-N 2.75Å; F131-S133 PolarHBondContact O-N 2.98Å; S133-K169 PolarHBondContact OG-NZ 3.4Å
134A98Very high98Very high75 Ų7529.9 Ų29.962%0.6218%0.177SC*.Hα-helixtrans-82.6-25172.900000112.7S130 F131 L132S130-A134 PolarHBondContact O-N 2.99Å; F131-A134 CarbonylContact O-C 3.59Å; F131-A134 WeakPolarHBondContact O-CA 3.3Å; F131-A134 WeakPolarHBondContact O-CB 3.42Å; F131-A134 PolarHBondContact O-N 3.01Å; L132-A134 VanDerWaalsContact C-N 3.34Å
135H98Very high97.9Very high23 Ų2331.2 Ų31.211%0.10619%0.185CC..  trans-125.870.6-173.6-59.3-80.1000110.9D14 F131 L132 R137 E138 Q190D14-H135 VanDerWaalsContact CG-ND1 3.27Å; D14-H135 IonicContact OD1-CE1 3.75Å; D14-H135 IonicContact OD1-CG 3.65Å; D14-H135 IonicContact OD1-ND1 2.75Å; D14-H135 PolarHBondContact OD1-ND1 3.29Å; D14-H135 IonicContact OD2-CE1 3.5Å; D14-H135 IonicContact OD2-ND1 3.27Å; D14-H135 PolarHBondContact OD2-ND1 2.9Å; F131-H135 AromaticContact CD2-CD2 3.35Å; F131-H135 WeakPolarHBondContact CD2-CD2 3.37Å; F131-H135 AromaticContact CD2-NE2 3.85Å; F131-H135 HydrophobicContact CE1-CB 4.16Å; F131-H135 AromaticContact CE2-CD2 3.18Å; F131-H135 WeakPolarHBondContact CE2-CD2 3.33Å; F131-H135 AromaticContact CE2-CG 3.85Å; F131-H135 AromaticContact CE2-NE2 3.56Å; F131-H135 AromaticContact CG-CD2 3.95Å; F131-H135 HydrophobicContact CZ-CB 4.07Å; F131-H135 AromaticContact CZ-CD2 3.63Å; F131-H135 AromaticContact CZ-CG 3.85Å; F131-H135 PolarHBondContact O-CD2 3.42Å; F131-H135 VanDerWaalsContact O-CD2 3.24Å; F131-H135 PolarHBondContact O-N 2.97Å; L132-H135 CarbonylContact O-C 3.43Å; L132-H135 VanDerWaalsContact O-C 3.27Å; L132-H135 PolarHBondContact O-N 2.87Å; H135-R137 PolarHBondContact O-N 3.42Å; H135-E138 HydrophobicContact CB-CB 4.1Å; H135-E138 HydrophobicContact CB-CG 3.65Å; H135-E138 WeakPolarHBondContact O-CB 3.45Å; H135-E138 PolarHBondContact O-N 2.62Å; H135-Q190 PolarHBondContact O-NE2 2.76Å; H135-Q190 VanDerWaalsContact O-NE2 3.13Å
136A97.4Very high97.7Very high72 Ų7234.6 Ų34.660%0.59520%0.2SC*.THydrogen-bonded Turntrans-60.4-19.5-168.200000115.5L132 Q190L132-A136 PolarHBondContact O-N 2.92Å; A136-Q190 PolarHBondContact O-NE2 2.9Å
137R98.4Very high97.4Very high141 Ų14132.4 Ų32.453%0.53219%0.19SC..THydrogen-bonded Turntrans-101.55.9178.6-72-168.4-130.8174.52.2113.9A17 H135 W185A17-R137 HydrophobicContact CB-CB 3.61Å; H135-R137 PolarHBondContact O-N 3.42Å; R137-W185 HydrophobicContact CB-CD2 4.34Å; R137-W185 HydrophobicContact CB-CZ2 3.83Å; R137-W185 HydrophobicContact CG-CD2 4.1Å; R137-W185 HydrophobicContact CG-CG 4.33Å; R137-W185 HydrophobicContact CG-CZ2 4.34Å; R137-W185 VanDerWaalsContact O-CE2 3.31Å; R137-W185 WeakPolarHBondContact O-CZ2 3.39Å; R137-W185 PolarHBondContact O-NE1 2.96Å
138E98.8Very high97Very high0 Ų032.7 Ų32.70%019%0.189CC..  trans-92.2146.7173.4-59.9-62115.700110.6A13 D14 M16 A17 R93 F131 L132 H135 Q190A13-E138 VanDerWaalsContact O-CG 3.28Å; A13-E138 WeakPolarHBondContact O-CG 3.2Å; D14-E138 WeakPolarHBondContact CA-OE1 3.17Å; M16-E138 WeakPolarHBondContact CB-OE1 3.08Å; M16-E138 PolarHBondContact N-OE1 3.31Å; M16-E138 VanDerWaalsContact N-OE1 3.08Å; M16-E138 PolarHBondContact N-OE2 3.13Å; A17-E138 PolarHBondContact N-OE1 2.76Å; R93-E138 IonicContact CZ-OE2 3.33Å; R93-E138 IonicContact NE-OE2 2.89Å; R93-E138 PolarHBondContact NE-OE2 2.94Å; R93-E138 IonicContact NH2-OE2 3.43Å; R93-E138 PolarHBondContact NH2-OE2 2.92Å; F131-E138 HydrophobicContact CE1-CB 4.06Å; F131-E138 HydrophobicContact CE1-CG 4.38Å; F131-E138 HydrophobicContact CZ-CG 4.41Å; L132-E138 WeakPolarHBondContact CD2-O 3.46Å; H135-E138 HydrophobicContact CB-CB 4.1Å; H135-E138 HydrophobicContact CB-CG 3.65Å; H135-E138 WeakPolarHBondContact O-CB 3.45Å; H135-E138 PolarHBondContact O-N 2.62Å; E138-Q190 PolarHBondContact O-NE2 2.95Å; E138-Q190 VanDerWaalsContact O-NE2 3.09Å
139V98.8Very high96.5Very high0 Ų035.1 Ų35.10%021%0.214CC..  trans-128.3132.6-176.31770000109.4M16 L28 R93 F141 L181 L184 Q190 L192M16-V139 HydrophobicContact SD-CB 3.92Å; M16-V139 PolarHBondContact SD-N 3.33Å; L28-V139 HydrophobicContact CD1-CG1 4.43Å; R93-V139 WeakPolarHBondContact CB-O 3.28Å; R93-V139 VanDerWaalsContact CD-O 3.24Å; R93-V139 WeakPolarHBondContact CD-O 3.39Å; V139-F141 HydrophobicContact CG1-CE2 4.36Å; V139-L181 HydrophobicContact CG2-CD2 4.16Å; V139-L184 HydrophobicContact CB-CD1 4.14Å; V139-L184 HydrophobicContact CG1-CD1 3.5Å; V139-L184 VanDerWaalsContact CG1-CD1 3.5Å; V139-L184 HydrophobicContact CG2-CB 4.3Å; V139-L184 HydrophobicContact CG2-CD1 3.62Å; V139-Q190 CarbonylContact C-O 3.59Å; V139-Q190 VanDerWaalsContact CA-O 3.31Å; V139-Q190 WeakPolarHBondContact CA-O 3.34Å; V139-L192 HydrophobicContact CG1-CD1 3.63Å
140V98.9Very high96.2Very high0 Ų035.5 Ų35.50%022%0.216CC..EExtended strand (participates in β ladder)trans-114149.2177.4-63.50000112.6L88 R93 F95 I128 L132 L142 Q190 V191 L192L88-V140 HydrophobicContact CD2-CG1 3.86Å; R93-V140 CarbonylContact O-C 3.48Å; R93-V140 VanDerWaalsContact O-CA 3.28Å; R93-V140 WeakPolarHBondContact O-CA 3.48Å; F95-V140 HydrophobicContact CE2-CB 4.46Å; F95-V140 HydrophobicContact CE2-CG1 4.17Å; I128-V140 HydrophobicContact CG2-CG1 4.42Å; I128-V140 HydrophobicContact CG2-CG2 3.88Å; L132-V140 HydrophobicContact CD1-CG2 3.83Å; L132-V140 HydrophobicContact CD2-CG1 4.04Å; L132-V140 HydrophobicContact CD2-CG2 4.34Å; V140-L142 HydrophobicContact CG2-CD2 4.3Å; V140-L142 HydrophobicContact CG2-CG 4.48Å; V140-Q190 PolarHBondContact N-O 3Å; V140-V191 HydrophobicContact CG2-CB 4.41Å; V140-V191 HydrophobicContact CG2-CG1 4.25Å; V140-V191 HydrophobicContact CG2-CG2 3.97Å; V140-L192 PolarHBondContact O-N 2.91Å
141F98.9Very high95.9Very high0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-112.1115.3175.6-60.9-108.3000107.7M16 L28 I33 R93 F94 F95 V139 L192 F194 M212 F242 I292M16-F141 HydrophobicContact CE-CE2 4.29Å; L28-F141 HydrophobicContact CB-CZ 4.2Å; L28-F141 HydrophobicContact CD1-CE2 4.41Å; L28-F141 HydrophobicContact CD1-CZ 3.68Å; I33-F141 HydrophobicContact CD1-CE2 3.65Å; I33-F141 HydrophobicContact CD1-CZ 3.71Å; R93-F141 PolarHBondContact O-N 3.33Å; F94-F141 HydrophobicContact CB-CB 4.22Å; F94-F141 HydrophobicContact CD2-CB 3.59Å; F94-F141 HydrophobicContact CD2-CG 4.38Å; F94-F141 HydrophobicContact CE2-CB 4.44Å; F94-F141 HydrophobicContact CG-CB 4.32Å; F95-F141 PolarHBondContact N-O 3.19Å; V139-F141 HydrophobicContact CG1-CE2 4.36Å; F141-L192 HydrophobicContact CD1-CB 4.28Å; F141-L192 HydrophobicContact CD1-CD2 4.41Å; F141-L192 HydrophobicContact CE1-CD2 4Å; F141-F194 AromaticContact CD1-CE2 3.75Å; F141-F194 HydrophobicContact CD1-CE2 3.75Å; F141-F194 HydrophobicContact CD1-CZ 4.36Å; F141-M212 HydrophobicContact CD1-CE 4.02Å; F141-F242 AromaticContact CE1-CD1 3.86Å; F141-F242 HydrophobicContact CE1-CD1 3.86Å; F141-F242 AromaticContact CE1-CE1 3.49Å; F141-F242 HydrophobicContact CE1-CE1 3.49Å; F141-F242 VanDerWaalsContact CE1-CE1 3.49Å; F141-F242 AromaticContact CE1-CZ 3.93Å; F141-F242 HydrophobicContact CE1-CZ 3.93Å; F141-F242 HydrophobicContact CZ-CE1 4.1Å; F141-I292 HydrophobicContact CD1-CD1 4.39Å
142L98.8Very high95.7Very high0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-104.7104.7177.2-54.3-175.6000108.3F95 L97 L125 I128 V140 F144 L162 F166 V191 L192 V193 F194F95-L142 HydrophobicContact CB-CD2 4.46Å; F95-L142 HydrophobicContact CD2-CD2 3.9Å; L97-L142 HydrophobicContact CD1-CB 3.93Å; L97-L142 HydrophobicContact CD1-CD2 4.39Å; L125-L142 HydrophobicContact CD2-CD1 3.94Å; I128-L142 HydrophobicContact CD1-CD2 3.9Å; V140-L142 HydrophobicContact CG2-CD2 4.3Å; V140-L142 HydrophobicContact CG2-CG 4.48Å; L142-F144 HydrophobicContact CB-CD2 4.34Å; L142-F144 HydrophobicContact CB-CE2 3.86Å; L142-F144 HydrophobicContact CD1-CE2 4.43Å; L142-L162 HydrophobicContact CD1-CD2 4.45Å; L142-F166 HydrophobicContact CD1-CE2 3.64Å; L142-F166 HydrophobicContact CD1-CZ 3.82Å; L142-V191 HydrophobicContact CD1-CG1 3.73Å; L142-V191 HydrophobicContact CG-CG1 4.05Å; L142-L192 PolarHBondContact N-O 3.49Å; L142-V193 WeakPolarHBondContact O-CA 3.14Å; L142-F194 PolarHBondContact O-N 3.15Å
143D98.5Very high95.5Very high1 Ų146.1 Ų46.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-97.695.4178.5-176.522.8000110.6F94 F95 L97 N145 F194 H196F94-D143 HydrophobicContact CE1-CB 4.49Å; F94-D143 HydrophobicContact CE2-CB 3.7Å; F94-D143 HydrophobicContact CZ-CB 3.52Å; F95-D143 PolarHBondContact O-N 2.91Å; L97-D143 WeakPolarHBondContact CA-O 3.3Å; L97-D143 VanDerWaalsContact CB-O 3.3Å; L97-D143 WeakPolarHBondContact CB-O 3.45Å; L97-D143 PolarHBondContact N-O 3.02Å; D143-N145 PolarHBondContact O-N 3.26Å; D143-N145 PolarHBondContact OD2-ND2 3.39Å; D143-F194 HydrophobicContact CB-CB 4.4Å; D143-H196 IonicContact OD1-CD2 2.85Å; D143-H196 PolarHBondContact OD1-CD2 2.92Å; D143-H196 IonicContact OD1-NE2 3.44Å; D143-H196 PolarHBondContact OD1-NE2 2.87Å
144F97.9Very high95.4Very high0 Ų042.9 Ų42.90%024%0.239CC..EExtended strand (participates in β ladder)trans-76.176.4171.7-65.6-92.2000109.6L97 I99 V121 L125 L142 F147 L158 L162 V193 F194 Y195 H196L97-F144 HydrophobicContact CB-CD1 4.22Å; L97-F144 HydrophobicContact CD1-CD1 4.06Å; L97-F144 HydrophobicContact CD1-CD2 4.15Å; L97-F144 HydrophobicContact CD1-CE1 3.8Å; L97-F144 HydrophobicContact CD1-CE2 3.87Å; L97-F144 HydrophobicContact CD1-CG 4.26Å; L97-F144 HydrophobicContact CD1-CZ 3.7Å; I99-F144 HydrophobicContact CD1-CD1 3.72Å; I99-F144 HydrophobicContact CD1-CE1 3.79Å; I99-F144 HydrophobicContact CG1-CD1 3.52Å; I99-F144 HydrophobicContact CG1-CE1 4Å; V121-F144 HydrophobicContact CG1-CE1 4.41Å; L125-F144 HydrophobicContact CD2-CZ 4.32Å; L142-F144 HydrophobicContact CB-CD2 4.34Å; L142-F144 HydrophobicContact CB-CE2 3.86Å; L142-F144 HydrophobicContact CD1-CE2 4.43Å; F144-F147 HydrophobicContact CB-CE1 4.19Å; F144-F147 HydrophobicContact CB-CE2 4.4Å; F144-F147 HydrophobicContact CB-CZ 3.62Å; F144-F147 WeakPolarHBondContact O-CE2 3.42Å; F144-L158 HydrophobicContact CD1-CD2 3.79Å; F144-L158 HydrophobicContact CE1-CD1 3.95Å; F144-L158 HydrophobicContact CE1-CD2 3.73Å; F144-L158 HydrophobicContact CE1-CG 4.31Å; F144-L158 HydrophobicContact CZ-CD1 4.22Å; F144-L158 HydrophobicContact CZ-CD2 4.48Å; F144-L162 HydrophobicContact CE2-CD1 4.18Å; F144-L162 HydrophobicContact CE2-CD2 4.03Å; F144-L162 HydrophobicContact CZ-CD1 4.36Å; F144-L162 HydrophobicContact CZ-CD2 3.99Å; F144-V193 HydrophobicContact CD2-CG1 3.64Å; F144-V193 HydrophobicContact CE2-CG1 3.69Å; F144-F194 WeakPolarHBondContact CB-O 3.44Å; F144-F194 PolarHBondContact N-O 2.84Å; F144-Y195 HydrophobicContact CB-CD2 3.73Å; F144-Y195 HydrophobicContact CB-CE2 4.05Å; F144-Y195 HydrophobicContact CD2-CD2 4.01Å; F144-Y195 HydrophobicContact CD2-CE2 4.36Å; F144-Y195 AromaticContact CG-CD2 3.97Å; F144-Y195 HydrophobicContact CG-CD2 3.97Å; F144-Y195 HydrophobicContact CG-CE2 4.08Å; F144-H196 PolarHBondContact O-N 3.39Å; F144-H196 VanDerWaalsContact O-N 3.14Å
145N93Very high95.4Very high28 Ų2840 Ų4015%0.1521%0.213CC..EExtended strand (participates in β ladder)trans-79.5-38.3-167-160.5-54.8000112.4D96 L97 D143 H196D96-N145 WeakPolarHBondContact OD1-CB 3.26Å; L97-N145 PolarHBondContact O-N 2.93Å; D143-N145 PolarHBondContact O-N 3.26Å; D143-N145 PolarHBondContact OD2-ND2 3.39Å; N145-H196 VanDerWaalsContact O-CB 3.3Å; N145-H196 WeakPolarHBondContact O-CB 3.33Å
146H91.9Very high95.3Very high71 Ų7144.7 Ų44.733%0.32924%0.235SC..EExtended strand (participates in β ladder)trans-129.7144.9-178.7-62.675.3000113R98 I99 Y148R98-H146 WeakPolarHBondContact CA-O 3.35Å; R98-H146 HydrophobicContact CB-CB 4.21Å; R98-H146 HydrophobicContact CG-CB 3.85Å; I99-H146 PolarHBondContact N-O 3.39Å; H146-Y148 HydrophobicContact CB-CE2 3.85Å
147F92.8Very high95.4Very high41 Ų4144.2 Ų44.218%0.1822%0.219CC..EExtended strand (participates in β ladder)trans-130.9120.6177.5-62-80.4000110.4I99 F144 V150 H155 L158 Y195 H196I99-F147 HydrophobicContact CB-CD1 3.9Å; I99-F147 HydrophobicContact CB-CE1 4.24Å; I99-F147 HydrophobicContact CG1-CD1 4.23Å; I99-F147 HydrophobicContact CG1-CE1 4.08Å; I99-F147 CarbonylContact O-C 3.53Å; I99-F147 WeakPolarHBondContact O-CA 3.5Å; F144-F147 HydrophobicContact CB-CE1 4.19Å; F144-F147 HydrophobicContact CB-CE2 4.4Å; F144-F147 HydrophobicContact CB-CZ 3.62Å; F144-F147 WeakPolarHBondContact O-CE2 3.42Å; F147-V150 HydrophobicContact CB-CB 3.91Å; F147-V150 HydrophobicContact CB-CG1 4.43Å; F147-V150 HydrophobicContact CB-CG2 3.93Å; F147-V150 HydrophobicContact CD1-CB 4.34Å; F147-V150 HydrophobicContact CD1-CG1 4.08Å; F147-V150 HydrophobicContact CD1-CG2 4.13Å; F147-H155 AromaticContact CD1-CE1 3.59Å; F147-H155 AromaticContact CD2-CE1 3.83Å; F147-H155 AromaticContact CE1-CE1 3.79Å; F147-H155 AromaticContact CE1-ND1 3.89Å; F147-H155 AromaticContact CG-CE1 3.62Å; F147-H155 AromaticContact CZ-CE1 3.99Å; F147-L158 HydrophobicContact CE1-CD2 4.01Å; F147-Y195 HydrophobicContact CE1-CE1 4.3Å; F147-Y195 AromaticContact CE1-CE2 3.98Å; F147-Y195 HydrophobicContact CE1-CE2 3.98Å; F147-Y195 AromaticContact CE1-CZ 3.72Å; F147-Y195 HydrophobicContact CE2-CD1 4.35Å; F147-Y195 HydrophobicContact CE2-CE1 4.17Å; F147-Y195 HydrophobicContact CZ-CD1 4.01Å; F147-Y195 AromaticContact CZ-CD2 3.93Å; F147-Y195 HydrophobicContact CZ-CD2 3.93Å; F147-Y195 AromaticContact CZ-CE1 3.61Å; F147-Y195 HydrophobicContact CZ-CE1 3.61Å; F147-Y195 AromaticContact CZ-CE2 3.54Å; F147-Y195 HydrophobicContact CZ-CE2 3.54Å; F147-Y195 HydrophobicContact CZ-CG 4.16Å; F147-Y195 AromaticContact CZ-CZ 3.36Å; F147-H196 HydrophobicContact CE2-CB 4.35Å
148Y87.4Confident95.4Very high49 Ų4937.5 Ų37.519%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-118.9116.8-177.7-55.4-70.3000111.4E53 R98 I99 S100 T101 H146 V150E53-Y148 HydrophobicContact CB-CD1 4.3Å; E53-Y148 HydrophobicContact CB-CE1 4.03Å; R98-Y148 HydrophobicContact CB-CE2 4.18Å; I99-Y148 PolarHBondContact O-N 2.82Å; S100-Y148 VanDerWaalsContact CA-O 3.25Å; S100-Y148 WeakPolarHBondContact CA-O 3.42Å; S100-Y148 PolarHBondContact OG-O 3.28Å; S100-Y148 VanDerWaalsContact OG-O 3.06Å; T101-Y148 PolarHBondContact N-O 2.76Å; H146-Y148 HydrophobicContact CB-CE2 3.85Å; Y148-V150 PolarHBondContact O-N 3.39Å
149G87.3Confident95.3Very high51 Ų5138.2 Ų38.253%0.52620%0.198SC..SBendtrans69.611.1-176.700000113.9T101T101-G149 VanDerWaalsContact OG1-C 3.28Å; T101-G149 PolarHBondContact OG1-O 3.19Å
150V91.7Very high95.3Very high24 Ų2441.1 Ų41.115%0.14522%0.218CC..  trans-83.6140.1177.5-177.90000108.8I99 T101 F147 Y148 H154I99-V150 HydrophobicContact CG2-CG2 4.18Å; T101-V150 HydrophobicContact CG2-CG2 4.47Å; F147-V150 HydrophobicContact CB-CB 3.91Å; F147-V150 HydrophobicContact CB-CG1 4.43Å; F147-V150 HydrophobicContact CB-CG2 3.93Å; F147-V150 HydrophobicContact CD1-CB 4.34Å; F147-V150 HydrophobicContact CD1-CG1 4.08Å; F147-V150 HydrophobicContact CD1-CG2 4.13Å; Y148-V150 PolarHBondContact O-N 3.39Å; V150-H154 HydrophobicContact CB-CB 4.38Å; V150-H154 HydrophobicContact CG1-CB 3.55Å
151Q92.3Very high95.3Very high122 Ų12241.2 Ų41.257%0.5722%0.219SC*.  trans-127.7175.7-178.9-58.6178.1-4.800108.6L153 H154 H155Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-L153 PolarHBondContact O-N 2.83Å; Q151-H154 PolarHBondContact N-ND1 3.31Å; Q151-H154 WeakPolarHBondContact O-CA 3.28Å; Q151-H154 VanDerWaalsContact O-CB 3.27Å; Q151-H154 WeakPolarHBondContact O-CB 3.28Å; Q151-H154 PolarHBondContact O-N 2.76Å; Q151-H155 PolarHBondContact O-CD2 3.02Å; Q151-H155 PolarHBondContact O-N 3.4Å
152N94.3Very high95.3Very high119 Ų11941.2 Ų41.264%0.63622%0.219SC*.Hα-helixtrans-53.5-45.2-177.1-67.21.6000113.2H154 H155 E156N152-H154 PolarHBondContact O-N 3.43Å; N152-H155 WeakPolarHBondContact O-CB 3.47Å; N152-H155 PolarHBondContact O-N 2.87Å; N152-H155 VanDerWaalsContact O-N 3.12Å; N152-E156 WeakPolarHBondContact O-CG 3.41Å; N152-E156 PolarHBondContact O-N 3.03Å
153L94.4Very high95.3Very high77 Ų7747.1 Ų47.140%0.40324%0.241SC..Hα-helixtrans-58.7-34.517782.689.3000112.7N108 Q151 K157N108-L153 HydrophobicContact CB-CD1 4.23Å; Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-L153 PolarHBondContact O-N 2.83Å; L153-K157 WeakPolarHBondContact O-CB 3.34Å; L153-K157 PolarHBondContact O-N 2.89Å
154H96.1Very high95.3Very high6 Ų652.2 Ų52.23%0.02827%0.269CS..Hα-helixtrans-74.5-38.2-179.5-62.4116.2000110.8N108 L110 V150 Q151 N152 K157 L158N108-H154 WeakPolarHBondContact CB-NE2 3.21Å; N108-H154 PolarHBondContact OD1-NE2 3.33Å; L110-H154 HydrophobicContact CD2-CB 4.03Å; V150-H154 HydrophobicContact CB-CB 4.38Å; V150-H154 HydrophobicContact CG1-CB 3.55Å; Q151-H154 PolarHBondContact N-ND1 3.31Å; Q151-H154 WeakPolarHBondContact O-CA 3.28Å; Q151-H154 VanDerWaalsContact O-CB 3.27Å; Q151-H154 WeakPolarHBondContact O-CB 3.28Å; Q151-H154 PolarHBondContact O-N 2.76Å; N152-H154 PolarHBondContact O-N 3.43Å; H154-K157 PolarHBondContact O-N 2.93Å; H154-L158 WeakPolarHBondContact O-CB 3.29Å; H154-L158 PolarHBondContact O-N 2.92Å
155H97.6Very high95.3Very high15 Ų1553.1 Ų53.17%0.06927%0.274CS..Hα-helixtrans-64.6-44172.2-70.6-68.2000111.2F147 Q151 N152 K157 L158 V159 Y195 M199F147-H155 AromaticContact CD1-CE1 3.59Å; F147-H155 AromaticContact CD2-CE1 3.83Å; F147-H155 AromaticContact CE1-CE1 3.79Å; F147-H155 AromaticContact CE1-ND1 3.89Å; F147-H155 AromaticContact CG-CE1 3.62Å; F147-H155 AromaticContact CZ-CE1 3.99Å; Q151-H155 PolarHBondContact O-CD2 3.02Å; Q151-H155 PolarHBondContact O-N 3.4Å; N152-H155 WeakPolarHBondContact O-CB 3.47Å; N152-H155 PolarHBondContact O-N 2.87Å; N152-H155 VanDerWaalsContact O-N 3.12Å; H155-K157 VanDerWaalsContact C-N 3.35Å; H155-K157 PolarHBondContact O-N 3.49Å; H155-L158 PolarHBondContact O-N 3.28Å; H155-L158 VanDerWaalsContact O-N 3.16Å; H155-V159 WeakPolarHBondContact O-CG2 3.34Å; H155-V159 PolarHBondContact O-N 3.44Å; H155-Y195 AromaticContact ND1-CE1 3.51Å; H155-Y195 AromaticContact ND1-CZ 3.54Å; H155-Y195 PolarHBondContact ND1-OH 2.99Å; H155-M199 HydrophobicContact CB-CE 3.3Å; H155-M199 HydrophobicContact CB-SD 3.51Å; H155-M199 VanDerWaalsContact CB-SD 3.51Å
156E97.3Very high95.6Very high121 Ų12152 Ų5257%0.56527%0.268SS*.Hα-helixtrans-58.2-45.7173.4-70.5167.5-164.300111.5N152 L158 V159 S160 M199N152-E156 WeakPolarHBondContact O-CG 3.41Å; N152-E156 PolarHBondContact O-N 3.03Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.88Å; E156-V159 PolarHBondContact O-N 2.95Å; E156-S160 PolarHBondContact O-N 3.47Å; E156-M199 HydrophobicContact CG-CE 4.24Å
157K97.6Very high95.9Very high62 Ų6250.5 Ų50.527%0.2727%0.271SS..Hα-helixtrans-57.8-44.4174.3-178.1177.6174.9-175.60111.6D107 N108 E109 L153 H154 H155 S160 M161D107-K157 PolarHBondContact O-NZ 3.46Å; N108-K157 PolarHBondContact O-NZ 3.37Å; E109-K157 WeakPolarHBondContact OE1-CE 3.46Å; E109-K157 IonicContact OE1-NZ 3.27Å; E109-K157 PolarHBondContact OE1-NZ 2.89Å; E109-K157 IonicContact OE2-NZ 3.89Å; L153-K157 WeakPolarHBondContact O-CB 3.34Å; L153-K157 PolarHBondContact O-N 2.89Å; H154-K157 PolarHBondContact O-N 2.93Å; H155-K157 VanDerWaalsContact C-N 3.35Å; H155-K157 PolarHBondContact O-N 3.49Å; K157-S160 PolarHBondContact O-N 3.27Å; K157-M161 WeakPolarHBondContact O-CB 3.47Å; K157-M161 PolarHBondContact O-N 3.07Å
158L98.4Very high96.1Very high1 Ų156.5 Ų56.51%0.00530%0.3CS..Hα-helixtrans-66.1-41.1178.3-176.449.2000112.1I99 L110 V121 F144 F147 H154 H155 E156 M161 L162 Y195I99-L158 HydrophobicContact CG1-CD2 4.26Å; L110-L158 HydrophobicContact CD1-CB 3.66Å; L110-L158 HydrophobicContact CD1-CD1 4.21Å; L110-L158 HydrophobicContact CD1-CG 4.35Å; V121-L158 HydrophobicContact CG1-CD1 3.68Å; F144-L158 HydrophobicContact CD1-CD2 3.79Å; F144-L158 HydrophobicContact CE1-CD1 3.95Å; F144-L158 HydrophobicContact CE1-CD2 3.73Å; F144-L158 HydrophobicContact CE1-CG 4.31Å; F144-L158 HydrophobicContact CZ-CD1 4.22Å; F144-L158 HydrophobicContact CZ-CD2 4.48Å; F147-L158 HydrophobicContact CE1-CD2 4.01Å; H154-L158 WeakPolarHBondContact O-CB 3.29Å; H154-L158 PolarHBondContact O-N 2.92Å; H155-L158 PolarHBondContact O-N 3.28Å; H155-L158 VanDerWaalsContact O-N 3.16Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.88Å; L158-M161 HydrophobicContact CD1-SD 4.44Å; L158-M161 WeakPolarHBondContact O-CB 3.34Å; L158-M161 PolarHBondContact O-N 3.42Å; L158-L162 HydrophobicContact CD1-CD1 4.43Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.26Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.89Å; L158-Y195 HydrophobicContact CD2-CE2 3.8Å; L158-Y195 WeakPolarHBondContact CD2-OH 3.36Å; L158-Y195 HydrophobicContact CG-CE2 4.29Å
159V98.5Very high96.7Very high14 Ų1456.4 Ų56.49%0.08530%0.301CS..Hα-helixtrans-63.7-44176.11690000111.3H155 E156 M161 L162 R163 M199 V203 F205 L206H155-V159 WeakPolarHBondContact O-CG2 3.34Å; H155-V159 PolarHBondContact O-N 3.44Å; E156-V159 PolarHBondContact O-N 2.95Å; V159-M161 VanDerWaalsContact C-N 3.33Å; V159-M161 PolarHBondContact O-N 3.22Å; V159-L162 PolarHBondContact O-N 2.86Å; V159-R163 WeakPolarHBondContact O-CG 3.4Å; V159-R163 PolarHBondContact O-N 3.36Å; V159-R163 VanDerWaalsContact O-N 3.07Å; V159-M199 HydrophobicContact CG2-CG 4.29Å; V159-M199 HydrophobicContact CG2-SD 3.58Å; V159-M199 VanDerWaalsContact CG2-SD 3.58Å; V159-V203 HydrophobicContact CG1-CG1 3.94Å; V159-V203 HydrophobicContact CG1-CG2 4.07Å; V159-V203 HydrophobicContact CG2-CG2 4.23Å; V159-F205 HydrophobicContact CG1-CE1 4.42Å; V159-F205 HydrophobicContact CG1-CZ 4.07Å; V159-L206 HydrophobicContact CG2-CD1 3.85Å
160S98.4Very high97.2Very high61 Ų6154.7 Ų54.743%0.42728%0.279SS..Hα-helixtrans-58.8-47.3173.4-168.90000110.7E156 K157 L162 R163 D164E156-S160 PolarHBondContact O-N 3.47Å; K157-S160 PolarHBondContact O-N 3.27Å; S160-L162 VanDerWaalsContact C-N 3.35Å; S160-L162 PolarHBondContact O-N 3.06Å; S160-R163 WeakPolarHBondContact O-CB 3.5Å; S160-R163 PolarHBondContact O-N 2.88Å; S160-R163 VanDerWaalsContact O-N 3.17Å; S160-D164 PolarHBondContact O-N 3.19Å
161M98.5Very high97.6Very high3 Ų353.6 Ų53.62%0.01527%0.272CS..Hα-helixtrans-59.2-43.1179-173.8-173.7-63.300112.5L110 V121 R122 L125 K157 L158 V159 D164 V165L110-M161 HydrophobicContact CD1-CE 4.5Å; V121-M161 HydrophobicContact CB-SD 4.14Å; V121-M161 HydrophobicContact CG1-SD 3.92Å; R122-M161 WeakPolarHBondContact CA-SD 3.06Å; R122-M161 HydrophobicContact CB-CE 3.92Å; R122-M161 HydrophobicContact CB-CG 4.44Å; R122-M161 HydrophobicContact CB-SD 3.69Å; R122-M161 PolarHBondContact N-SD 2.92Å; R122-M161 VanDerWaalsContact N-SD 3.4Å; L125-M161 HydrophobicContact CD1-CG 4.04Å; L125-M161 HydrophobicContact CD1-SD 3.99Å; K157-M161 WeakPolarHBondContact O-CB 3.47Å; K157-M161 PolarHBondContact O-N 3.07Å; L158-M161 HydrophobicContact CD1-SD 4.44Å; L158-M161 WeakPolarHBondContact O-CB 3.34Å; L158-M161 PolarHBondContact O-N 3.42Å; V159-M161 VanDerWaalsContact C-N 3.33Å; V159-M161 PolarHBondContact O-N 3.22Å; M161-D164 PolarHBondContact O-N 3.03Å; M161-V165 HydrophobicContact CG-CG2 4.41Å; M161-V165 WeakPolarHBondContact O-CB 3.45Å; M161-V165 VanDerWaalsContact O-CG2 3.25Å; M161-V165 WeakPolarHBondContact O-CG2 3.47Å; M161-V165 PolarHBondContact O-N 3.23Å
162L98.8Very high97.8Very high0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-61-44.6175.7-74.2164.2000111.6L125 L142 F144 L158 V159 S160 F166 V193 F205 L206L125-L162 HydrophobicContact CD1-CD2 3.76Å; L125-L162 HydrophobicContact CD1-CG 4.25Å; L125-L162 HydrophobicContact CD2-CD2 4.32Å; L142-L162 HydrophobicContact CD1-CD2 4.45Å; F144-L162 HydrophobicContact CE2-CD1 4.18Å; F144-L162 HydrophobicContact CE2-CD2 4.03Å; F144-L162 HydrophobicContact CZ-CD1 4.36Å; F144-L162 HydrophobicContact CZ-CD2 3.99Å; L158-L162 HydrophobicContact CD1-CD1 4.43Å; L158-L162 HydrophobicContact CD1-CG 4.35Å; L158-L162 HydrophobicContact CG-CD1 4.26Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.89Å; V159-L162 PolarHBondContact O-N 2.86Å; S160-L162 VanDerWaalsContact C-N 3.35Å; S160-L162 PolarHBondContact O-N 3.06Å; L162-F166 HydrophobicContact CD2-CD2 3.94Å; L162-F166 HydrophobicContact CD2-CE2 3.76Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 PolarHBondContact O-N 2.84Å; L162-V193 HydrophobicContact CD1-CG1 4.07Å; L162-V193 HydrophobicContact CD2-CG2 4.33Å; L162-F205 HydrophobicContact CB-CE2 4Å; L162-F205 HydrophobicContact CB-CZ 4.11Å; L162-F205 HydrophobicContact CD1-CE2 4.12Å; L162-L206 HydrophobicContact CD1-CD2 4.23Å
163R98.6Very high98Very high124 Ų12446.5 Ų46.547%0.46824%0.243SC..Hα-helixtrans-62-45.9175.9-71.4-178179.9-76.41.2111.7V159 S160 V165 G167 L170 F205V159-R163 WeakPolarHBondContact O-CG 3.4Å; V159-R163 PolarHBondContact O-N 3.36Å; V159-R163 VanDerWaalsContact O-N 3.07Å; S160-R163 WeakPolarHBondContact O-CB 3.5Å; S160-R163 PolarHBondContact O-N 2.88Å; S160-R163 VanDerWaalsContact O-N 3.17Å; R163-V165 VanDerWaalsContact C-N 3.34Å; R163-V165 PolarHBondContact O-N 2.98Å; R163-G167 VanDerWaalsContact O-CA 3.24Å; R163-G167 WeakPolarHBondContact O-CA 3.44Å; R163-G167 PolarHBondContact O-N 2.73Å; R163-L170 HydrophobicContact CG-CD1 4.45Å; R163-F205 HydrophobicContact CG-CE1 3.6Å; R163-F205 HydrophobicContact CG-CZ 3.89Å; R163-F205 VanDerWaalsContact CZ-CE1 3.46Å
164D98.6Very high98.1Very high108 Ų10844.5 Ų44.558%0.57823%0.233SC*.Hα-helixtrans-64.2-39.7-178-63.9-23.1000111.8R122 S160 M161R122-D164 IonicContact NH2-OD2 3.58Å; S160-D164 PolarHBondContact O-N 3.19Å; M161-D164 PolarHBondContact O-N 3.03Å
165V98.7Very high98Very high18 Ų1851 Ų5111%0.10926%0.262CS..Hα-helixtrans-84.2-38.5-172.9172.80000112.9L125 E126 S129 M161 R163L125-V165 HydrophobicContact CB-CB 4.39Å; L125-V165 HydrophobicContact CB-CG1 3.86Å; L125-V165 HydrophobicContact CB-CG2 4.39Å; L125-V165 WeakPolarHBondContact O-CG1 3.32Å; E126-V165 HydrophobicContact CG-CG1 4.34Å; E126-V165 HydrophobicContact CG-CG2 4.03Å; S129-V165 PolarHBondContact OG-O 3.02Å; M161-V165 HydrophobicContact CG-CG2 4.41Å; M161-V165 WeakPolarHBondContact O-CB 3.45Å; M161-V165 VanDerWaalsContact O-CG2 3.25Å; M161-V165 WeakPolarHBondContact O-CG2 3.47Å; M161-V165 PolarHBondContact O-N 3.23Å; R163-V165 VanDerWaalsContact C-N 3.34Å; R163-V165 PolarHBondContact O-N 2.98Å
166F98.8Very high97.8Very high6 Ų650.4 Ų50.43%0.02626%0.259CS..Hα-helixtrans-105.8-26.7-174.3-63-59000113.7L125 I128 L132 L142 L162 E168 K169 L170 V191L125-F166 HydrophobicContact CB-CE2 4.17Å; L125-F166 HydrophobicContact CB-CZ 4.07Å; L125-F166 HydrophobicContact CD1-CE2 4.37Å; L125-F166 HydrophobicContact CD2-CE2 3.85Å; L125-F166 HydrophobicContact CD2-CZ 3.98Å; L125-F166 HydrophobicContact CG-CE2 4.32Å; I128-F166 HydrophobicContact CB-CE1 4.32Å; I128-F166 HydrophobicContact CB-CZ 4.29Å; I128-F166 HydrophobicContact CG2-CE1 3.94Å; I128-F166 HydrophobicContact CG2-CZ 4.06Å; L132-F166 HydrophobicContact CD1-CD1 4.42Å; L132-F166 HydrophobicContact CD1-CE1 4.22Å; L142-F166 HydrophobicContact CD1-CE2 3.64Å; L142-F166 HydrophobicContact CD1-CZ 3.82Å; L162-F166 HydrophobicContact CD2-CD2 3.94Å; L162-F166 HydrophobicContact CD2-CE2 3.76Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 PolarHBondContact O-N 2.84Å; F166-E168 PolarHBondContact O-N 2.83Å; F166-K169 HydrophobicContact CB-CB 4.4Å; F166-K169 VanDerWaalsContact O-CB 3.26Å; F166-K169 WeakPolarHBondContact O-CB 3.37Å; F166-K169 WeakPolarHBondContact O-CG 3.46Å; F166-K169 PolarHBondContact O-N 3.28Å; F166-L170 HydrophobicContact CB-CD1 4.36Å; F166-L170 HydrophobicContact CB-CD2 3.86Å; F166-L170 HydrophobicContact CB-CG 3.75Å; F166-L170 HydrophobicContact CD2-CD2 4.06Å; F166-L170 HydrophobicContact CG-CD2 4.33Å; F166-V191 HydrophobicContact CB-CG2 4.35Å; F166-V191 HydrophobicContact CD1-CG2 3.66Å; F166-V191 HydrophobicContact CD2-CG1 4.26Å; F166-V191 HydrophobicContact CD2-CG2 4.47Å; F166-V191 HydrophobicContact CE1-CG2 4Å; F166-V191 HydrophobicContact CE2-CG1 4.3Å; F166-V191 HydrophobicContact CG-CG1 4.49Å; F166-V191 HydrophobicContact CG-CG2 3.92Å
167G98.1Very high97.6Very high39 Ų3948.8 Ų48.840%0.40225%0.252SS..G310 helixtrans52.6-124.4178.700000112.4R163 K169 L170R163-G167 VanDerWaalsContact O-CA 3.24Å; R163-G167 WeakPolarHBondContact O-CA 3.44Å; R163-G167 PolarHBondContact O-N 2.73Å; G167-K169 PolarHBondContact O-N 3.38Å; G167-L170 WeakPolarHBondContact O-CG 3.43Å; G167-L170 PolarHBondContact O-N 3.3Å
168E97.4Very high97.5Very high167 Ų16751.3 Ų51.378%0.7826%0.264SS*.G310 helixtrans-69-13.9-178-64.1178.2163.500113.6F166 L170 Y189F166-E168 PolarHBondContact O-N 2.83Å; E168-L170 PolarHBondContact O-N 2.73Å; E168-L170 VanDerWaalsContact O-N 3.17Å; E168-Y189 VanDerWaalsContact O-CD1 3.28Å; E168-Y189 WeakPolarHBondContact O-CD1 3.35Å
169K98.8Very high97.4Very high47 Ų4751.2 Ų51.220%0.20426%0.264CS..G310 helixtrans-67.5-13.3175.2-60.5-176.5174.287.20113.4L132 S133 F166 G167 C171 Q190 V191L132-K169 HydrophobicContact CB-CD 4.35Å; S133-K169 PolarHBondContact OG-NZ 3.4Å; F166-K169 HydrophobicContact CB-CB 4.4Å; F166-K169 VanDerWaalsContact O-CB 3.26Å; F166-K169 WeakPolarHBondContact O-CB 3.37Å; F166-K169 WeakPolarHBondContact O-CG 3.46Å; F166-K169 PolarHBondContact O-N 3.28Å; G167-K169 PolarHBondContact O-N 3.38Å; K169-C171 PolarHBondContact O-N 3.44Å; K169-Q190 HydrophobicContact CB-CB 4.22Å; K169-Q190 HydrophobicContact CD-CB 4.42Å; K169-Q190 PolarHBondContact O-N 3.26Å; K169-V191 HydrophobicContact CB-CG2 4.27Å; K169-V191 PolarHBondContact O-N 3.33Å
170L98.9Very high97.4Very high14 Ų1451.2 Ų51.27%0.07326%0.264CS..BIsolated β-bridgetrans-74.5116-178.9-69167.7000110.9R163 F166 G167 E168 V191 V193 F205R163-L170 HydrophobicContact CG-CD1 4.45Å; F166-L170 HydrophobicContact CB-CD1 4.36Å; F166-L170 HydrophobicContact CB-CD2 3.86Å; F166-L170 HydrophobicContact CB-CG 3.75Å; F166-L170 HydrophobicContact CD2-CD2 4.06Å; F166-L170 HydrophobicContact CG-CD2 4.33Å; G167-L170 WeakPolarHBondContact O-CG 3.43Å; G167-L170 PolarHBondContact O-N 3.3Å; E168-L170 PolarHBondContact O-N 2.73Å; E168-L170 VanDerWaalsContact O-N 3.17Å; L170-V191 HydrophobicContact CD2-CB 4.22Å; L170-V191 HydrophobicContact CD2-CG1 4.1Å; L170-V193 HydrophobicContact CD2-CG2 3.78Å; L170-F205 HydrophobicContact CB-CB 4.07Å; L170-F205 HydrophobicContact CB-CD2 4.33Å; L170-F205 HydrophobicContact CB-CG 4.13Å; L170-F205 HydrophobicContact CD1-CD1 4.04Å; L170-F205 HydrophobicContact CD1-CD2 3.94Å; L170-F205 HydrophobicContact CD1-CE1 4Å; L170-F205 HydrophobicContact CD1-CE2 3.91Å; L170-F205 HydrophobicContact CD1-CG 4.01Å; L170-F205 HydrophobicContact CD1-CZ 3.94Å; L170-F205 HydrophobicContact CD2-CD2 3.87Å; L170-F205 HydrophobicContact CD2-CE2 4.11Å; L170-F205 HydrophobicContact CD2-CG 4.5Å; L170-F205 HydrophobicContact CG-CD2 4.28Å; L170-F205 HydrophobicContact CG-CG 4.45Å
171C98.7Very high97.5Very high1 Ų148.3 Ų48.31%0.00724%0.244CC..PPolyproline II helixtrans-73.3123.7175.5-1750000110.6K169 L184 Y189 V191 L192 W207K169-C171 PolarHBondContact O-N 3.44Å; C171-L184 HydrophobicContact CB-CD2 4.05Å; C171-L184 VanDerWaalsContact SG-CD2 3.6Å; C171-Y189 HydrophobicContact CB-CD2 4.2Å; C171-Y189 HydrophobicContact CB-CG 4.11Å; C171-V191 WeakPolarHBondContact CB-O 3.43Å; C171-V191 PolarHBondContact N-O 3.43Å; C171-L192 HydrophobicContact CB-CD1 4.25Å; C171-L192 HydrophobicContact CB-CG 4.06Å; C171-W207 PolarHBondContact O-NE1 2.98Å
172P98.3Very high97.5Very high37 Ų3752 Ų5224%0.2426%0.262CS..PPolyproline II helixtrans-64160.5171.629.8-34.3000111.2V174 Y189 P204 W207P172-V174 PolarHBondContact O-N 3.32Å; P172-Y189 VanDerWaalsContact CD-CE2 3.42Å; P172-Y189 HydrophobicContact CG-CE2 4.06Å; P172-P204 WeakPolarHBondContact CA-O 3.32Å; P172-W207 VanDerWaalsContact O-CZ2 3.28Å; P172-W207 WeakPolarHBondContact O-CZ2 3.44Å; P172-W207 PolarHBondContact O-NE1 2.92Å
173V97.6Very high97.5Very high56 Ų5654.7 Ų54.734%0.33927%0.272SS..PPolyproline II helixtrans-68.1122.6174.4-177.50000110P204 L206 W207 M211V173-P204 WeakPolarHBondContact CG2-O 3.3Å; V173-P204 PolarHBondContact N-O 2.87Å; V173-L206 VanDerWaalsContact CG2-O 3.29Å; V173-L206 WeakPolarHBondContact CG2-O 3.15Å; V173-W207 HydrophobicContact CG1-CD2 4.43Å; V173-W207 HydrophobicContact CG2-CB 4.33Å; V173-W207 HydrophobicContact CG2-CD2 4.31Å; V173-W207 HydrophobicContact CG2-CG 3.91Å; V173-M211 HydrophobicContact CG1-SD 4.21Å
174V95.9Very high97.5Very high35 Ų3548.8 Ų48.821%0.21225%0.25CC..  trans-135.9-179.3173.5-61.90000109.5P172 A176 V179 Y183 W207P172-V174 PolarHBondContact O-N 3.32Å; V174-A176 PolarHBondContact O-N 2.95Å; V174-V179 HydrophobicContact CG2-CG2 3.47Å; V174-V179 VanDerWaalsContact CG2-CG2 3.47Å; V174-Y183 HydrophobicContact CG2-CE1 4.37Å; V174-W207 HydrophobicContact CG2-CH2 3.78Å; V174-W207 HydrophobicContact CG2-CZ2 3.98Å; V174-W207 WeakPolarHBondContact O-CH2 3.38Å; V174-W207 VanDerWaalsContact O-CZ3 3.28Å; V174-W207 WeakPolarHBondContact O-CZ3 3.47Å
175F94.7Very high97.5Very high143 Ų14346 Ų4663%0.62723%0.231SC*.  trans-66130.2173.9-65-70.6000110.1Q177 E178F175-Q177 PolarHBondContact O-N 2.89Å; F175-Q177 VanDerWaalsContact O-N 3.09Å; F175-E178 HydrophobicContact CB-CG 4.06Å; F175-E178 WeakPolarHBondContact O-CB 3.49Å; F175-E178 PolarHBondContact O-N 2.72Å
176A94.1Very high97.5Very high1 Ų151.5 Ų51.51%0.00826%0.256CS..G310 helixtrans-59.2-28.3-174.900000112.9T29 V174 E178 V179 W207 M211 F242T29-A176 HydrophobicContact CG2-CB 3.83Å; V174-A176 PolarHBondContact O-N 2.95Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.14Å; A176-V179 PolarHBondContact O-N 2.98Å; A176-W207 HydrophobicContact CB-CZ3 4.39Å; A176-M211 HydrophobicContact CB-CE 4.41Å; A176-F242 HydrophobicContact CB-CD2 4.14Å; A176-F242 HydrophobicContact CB-CE2 3.88Å; A176-F242 HydrophobicContact CB-CZ 4.5Å
177Q92.8Very high97.4Very high88 Ų8854.5 Ų54.541%0.41127%0.272SS..G310 helixtrans-71.1-20.2176.7-65.168.834.800113.2P27 F175 G240P27-Q177 VanDerWaalsContact CG-O 3.26Å; P27-Q177 WeakPolarHBondContact CG-O 3.35Å; F175-Q177 PolarHBondContact O-N 2.89Å; F175-Q177 VanDerWaalsContact O-N 3.09Å; Q177-G240 PolarHBondContact NE2-O 3.02Å
178E94.4Very high97.4Very high114 Ų11459.8 Ų59.853%0.53329%0.286SS..G310 helixtrans-89.4-13.8179.8-64.3177.9-177.900111.9F175 A176 S180F175-E178 HydrophobicContact CB-CG 4.06Å; F175-E178 WeakPolarHBondContact O-CB 3.49Å; F175-E178 PolarHBondContact O-N 2.72Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.14Å; E178-S180 PolarHBondContact O-N 2.82Å
179V97.7Very high97.5Very high0 Ų054.2 Ų54.20%026%0.258CS..  trans-82.4105.5-179.8-171.90000109.7P27 L28 V174 A176 Y183 L184 L192 W207P27-V179 CarbonylContact C-O 3.57Å; P27-V179 WeakPolarHBondContact CA-O 3.37Å; L28-V179 HydrophobicContact CD1-CG1 3.74Å; L28-V179 HydrophobicContact CG-CG1 4.16Å; L28-V179 PolarHBondContact N-O 2.75Å; V174-V179 HydrophobicContact CG2-CG2 3.47Å; V174-V179 VanDerWaalsContact CG2-CG2 3.47Å; A176-V179 PolarHBondContact O-N 2.98Å; V179-Y183 HydrophobicContact CG1-CD1 4.36Å; V179-L184 HydrophobicContact CG1-CD1 3.9Å; V179-L184 HydrophobicContact CG1-CD2 3.91Å; V179-L184 HydrophobicContact CG1-CG 3.89Å; V179-L192 HydrophobicContact CG1-CD2 4.23Å; V179-W207 HydrophobicContact CG2-CH2 3.54Å; V179-W207 HydrophobicContact CG2-CZ2 4.07Å
180S98.5Very high97.5Very high13 Ų1352.6 Ų52.69%0.09125%0.251CS..BIsolated β-bridgetrans-114.7169.716968.30000111.1H24 I26 E178 Q182 Y183 L184H24-S180 WeakPolarHBondContact O-CB 3.37Å; I26-S180 WeakPolarHBondContact O-CB 3.29Å; E178-S180 PolarHBondContact O-N 2.82Å; S180-Q182 VanDerWaalsContact C-N 3.29Å; S180-Q182 PolarHBondContact O-N 3.15Å; S180-Y183 PolarHBondContact O-N 3.01Å; S180-Y183 WeakPolarHBondContact OG-CB 3.24Å; S180-Y183 PolarHBondContact OG-N 2.93Å; S180-Y183 VanDerWaalsContact OG-N 3.07Å; S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 3.33Å; S180-L184 VanDerWaalsContact O-N 3.13Å
181L98.8Very high97.5Very high0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-60-43.8172.8-73.1174.4000111M16 L19 H24 L28 L31 V139 Y183 L184 W185M16-L181 HydrophobicContact CB-CD1 4.21Å; M16-L181 HydrophobicContact CB-CD2 4.03Å; M16-L181 HydrophobicContact CG-CD2 4.35Å; M16-L181 HydrophobicContact SD-CD2 4.05Å; L19-L181 HydrophobicContact CD1-CD1 3.76Å; H24-L181 PolarHBondContact O-N 3.14Å; L28-L181 HydrophobicContact CD2-CD2 3.77Å; L28-L181 HydrophobicContact CD2-CG 3.71Å; L31-L181 HydrophobicContact CD1-CD1 4.13Å; L31-L181 HydrophobicContact CD1-CG 4.31Å; V139-L181 HydrophobicContact CG2-CD2 4.16Å; L181-Y183 PolarHBondContact O-N 2.75Å; L181-L184 PolarHBondContact O-N 2.83Å; L181-W185 HydrophobicContact CB-CD2 4.39Å; L181-W185 HydrophobicContact CB-CH2 3.95Å; L181-W185 HydrophobicContact CB-CZ2 3.75Å; L181-W185 HydrophobicContact CB-CZ3 4.34Å; L181-W185 HydrophobicContact CD1-CH2 4.2Å; L181-W185 HydrophobicContact CD1-CZ2 4.06Å; L181-W185 HydrophobicContact CD2-CZ2 4.1Å; L181-W185 HydrophobicContact CG-CZ2 4.18Å; L181-W185 VanDerWaalsContact O-CD2 3.28Å; L181-W185 PolarHBondContact O-N 3.01Å
182Q98.7Very high97.5Very high82 Ų8251.9 Ų51.938%0.38325%0.247SC..Hα-helixtrans-57.8-49.4176.9-179.8176.311.400111.6H24 S180 L184 W185 E186H24-Q182 HydrophobicContact CB-CB 4.34Å; H24-Q182 WeakPolarHBondContact O-CB 3.48Å; H24-Q182 PolarHBondContact O-N 2.91Å; S180-Q182 VanDerWaalsContact C-N 3.29Å; S180-Q182 PolarHBondContact O-N 3.15Å; Q182-L184 VanDerWaalsContact C-N 3.29Å; Q182-L184 PolarHBondContact O-N 3.35Å; Q182-W185 PolarHBondContact O-N 3.21Å; Q182-E186 HydrophobicContact CG-CG 4.28Å; Q182-E186 VanDerWaalsContact CG-OE1 3.27Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.45Å; Q182-E186 PolarHBondContact NE2-OE1 3.01Å; Q182-E186 WeakPolarHBondContact O-CB 3.37Å; Q182-E186 WeakPolarHBondContact O-CG 3.42Å; Q182-E186 PolarHBondContact O-N 2.69Å
183Y98.7Very high97.6Very high55 Ų5550.1 Ų50.122%0.21624%0.236CC..Hα-helixtrans-55.5-46.1177.8166.8-99.4000111.6V174 V179 S180 L181 N187 Y189V174-Y183 HydrophobicContact CG2-CE1 4.37Å; V179-Y183 HydrophobicContact CG1-CD1 4.36Å; S180-Y183 PolarHBondContact O-N 3.01Å; S180-Y183 WeakPolarHBondContact OG-CB 3.24Å; S180-Y183 PolarHBondContact OG-N 2.93Å; S180-Y183 VanDerWaalsContact OG-N 3.07Å; L181-Y183 PolarHBondContact O-N 2.75Å; Y183-N187 PolarHBondContact O-N 2.91Å; Y183-N187 PolarHBondContact O-ND2 2.96Å; Y183-Y189 HydrophobicContact CE1-CD2 4.27Å
184L98.8Very high97.6Very high0 Ų047.4 Ų47.40%022%0.22CC..Hα-helixtrans-66.6-43.5-178.8-67.8176.4000112L28 V139 C171 V179 S180 L181 Q182 N187 E188 Y189 L192L28-L184 HydrophobicContact CD1-CD1 3.5Å; L28-L184 VanDerWaalsContact CD1-CD1 3.5Å; V139-L184 HydrophobicContact CB-CD1 4.14Å; V139-L184 HydrophobicContact CG1-CD1 3.5Å; V139-L184 VanDerWaalsContact CG1-CD1 3.5Å; V139-L184 HydrophobicContact CG2-CB 4.3Å; V139-L184 HydrophobicContact CG2-CD1 3.62Å; C171-L184 HydrophobicContact CB-CD2 4.05Å; C171-L184 VanDerWaalsContact SG-CD2 3.6Å; V179-L184 HydrophobicContact CG1-CD1 3.9Å; V179-L184 HydrophobicContact CG1-CD2 3.91Å; V179-L184 HydrophobicContact CG1-CG 3.89Å; S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 3.33Å; S180-L184 VanDerWaalsContact O-N 3.13Å; L181-L184 PolarHBondContact O-N 2.83Å; Q182-L184 VanDerWaalsContact C-N 3.29Å; Q182-L184 PolarHBondContact O-N 3.35Å; L184-N187 CarbonylContact O-C 3.53Å; L184-N187 PolarHBondContact O-N 3.25Å; L184-E188 PolarHBondContact O-N 3.06Å; L184-Y189 HydrophobicContact CD2-CD2 4.16Å; L184-Y189 HydrophobicContact CD2-CG 4.4Å; L184-Y189 PolarHBondContact O-N 3.03Å; L184-L192 HydrophobicContact CD1-CD1 3.9Å; L184-L192 HydrophobicContact CD2-CD1 4.23Å
185W98.6Very high97.7Very high51 Ų5145.9 Ų45.919%0.19321%0.21CC..Hα-helixtrans-66.5-40.7179.3-58.6-22.3000112.7H24 R137 L181 Q182 N187 E188H24-W185 HydrophobicContact CB-CZ3 4.19Å; H24-W185 AromaticContact CD2-CH2 3.82Å; H24-W185 AromaticContact CE1-CH2 3.95Å; H24-W185 AromaticContact CE1-CZ3 3.81Å; H24-W185 AromaticContact CG-CH2 3.9Å; H24-W185 AromaticContact CG-CZ3 3.65Å; H24-W185 AromaticContact ND1-CH2 3.99Å; H24-W185 AromaticContact ND1-CZ3 3.48Å; H24-W185 WeakPolarHBondContact ND1-CZ3 3.4Å; H24-W185 AromaticContact NE2-CH2 3.85Å; R137-W185 HydrophobicContact CB-CD2 4.34Å; R137-W185 HydrophobicContact CB-CZ2 3.83Å; R137-W185 HydrophobicContact CG-CD2 4.1Å; R137-W185 HydrophobicContact CG-CG 4.33Å; R137-W185 HydrophobicContact CG-CZ2 4.34Å; R137-W185 VanDerWaalsContact O-CE2 3.31Å; R137-W185 WeakPolarHBondContact O-CZ2 3.39Å; R137-W185 PolarHBondContact O-NE1 2.96Å; L181-W185 HydrophobicContact CB-CD2 4.39Å; L181-W185 HydrophobicContact CB-CH2 3.95Å; L181-W185 HydrophobicContact CB-CZ2 3.75Å; L181-W185 HydrophobicContact CB-CZ3 4.34Å; L181-W185 HydrophobicContact CD1-CH2 4.2Å; L181-W185 HydrophobicContact CD1-CZ2 4.06Å; L181-W185 HydrophobicContact CD2-CZ2 4.1Å; L181-W185 HydrophobicContact CG-CZ2 4.18Å; L181-W185 VanDerWaalsContact O-CD2 3.28Å; L181-W185 PolarHBondContact O-N 3.01Å; Q182-W185 PolarHBondContact O-N 3.21Å; W185-N187 PolarHBondContact O-N 3.32Å; W185-E188 PolarHBondContact O-N 3.04Å; W185-E188 VanDerWaalsContact O-N 3.17Å
186E98.4Very high97.9Very high133 Ų13342.5 Ų42.562%0.62120%0.196SC*.Hα-helixtrans-63.9-25.7177.3-74.2175.8178.600112.7Q182Q182-E186 HydrophobicContact CG-CG 4.28Å; Q182-E186 VanDerWaalsContact CG-OE1 3.27Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.45Å; Q182-E186 PolarHBondContact NE2-OE1 3.01Å; Q182-E186 WeakPolarHBondContact O-CB 3.37Å; Q182-E186 WeakPolarHBondContact O-CG 3.42Å; Q182-E186 PolarHBondContact O-N 2.69Å
187N98.4Very high98Very high68 Ų6843.6 Ų43.636%0.36420%0.204SC..THydrogen-bonded Turntrans-104.38.6177.4-67.2-88.6000113.3Y183 L184 W185 Y189Y183-N187 PolarHBondContact O-N 2.91Å; Y183-N187 PolarHBondContact O-ND2 2.96Å; L184-N187 CarbonylContact O-C 3.53Å; L184-N187 PolarHBondContact O-N 3.25Å; W185-N187 PolarHBondContact O-N 3.32Å; N187-Y189 HydrophobicContact CB-CD2 3.5Å; N187-Y189 VanDerWaalsContact CB-CD2 3.5Å; N187-Y189 HydrophobicContact CB-CE1 4.45Å; N187-Y189 HydrophobicContact CB-CE2 3.37Å; N187-Y189 HydrophobicContact CB-CG 4.1Å; N187-Y189 WeakPolarHBondContact O-CD1 3.23Å; N187-Y189 PolarHBondContact O-N 3.31Å; N187-Y189 VanDerWaalsContact O-N 3.15Å
188E98.3Very high98.2Very high150 Ų15044 Ų4470%0.70121%0.214SC*.THydrogen-bonded Turntrans56.326.9-178.9-56.4-175.9103.600114.3L184 W185L184-E188 PolarHBondContact O-N 3.06Å; W185-E188 PolarHBondContact O-N 3.04Å; W185-E188 VanDerWaalsContact O-N 3.17Å
189Y98.8Very high98.2Very high50 Ų5039.7 Ų39.720%0.19619%0.194CC..  trans-86.7141174.9-60.2-34.1000111.5E168 C171 P172 Y183 L184 N187E168-Y189 VanDerWaalsContact O-CD1 3.28Å; E168-Y189 WeakPolarHBondContact O-CD1 3.35Å; C171-Y189 HydrophobicContact CB-CD2 4.2Å; C171-Y189 HydrophobicContact CB-CG 4.11Å; P172-Y189 VanDerWaalsContact CD-CE2 3.42Å; P172-Y189 HydrophobicContact CG-CE2 4.06Å; Y183-Y189 HydrophobicContact CE1-CD2 4.27Å; L184-Y189 HydrophobicContact CD2-CD2 4.16Å; L184-Y189 HydrophobicContact CD2-CG 4.4Å; L184-Y189 PolarHBondContact O-N 3.03Å; N187-Y189 HydrophobicContact CB-CD2 3.5Å; N187-Y189 VanDerWaalsContact CB-CD2 3.5Å; N187-Y189 HydrophobicContact CB-CE1 4.45Å; N187-Y189 HydrophobicContact CB-CE2 3.37Å; N187-Y189 HydrophobicContact CB-CG 4.1Å; N187-Y189 WeakPolarHBondContact O-CD1 3.23Å; N187-Y189 PolarHBondContact O-N 3.31Å; N187-Y189 VanDerWaalsContact O-N 3.15Å
190Q98.9Very high98.2Very high13 Ų1340 Ų406%0.06120%0.197CC..  trans-137.4-8.2177.5-60.8-174-90.500113.6L132 H135 A136 E138 V139 V140 K169L132-Q190 HydrophobicContact CD1-CB 4.06Å; L132-Q190 HydrophobicContact CD2-CB 4.11Å; L132-Q190 HydrophobicContact CG-CB 4.49Å; L132-Q190 PolarHBondContact O-NE2 2.67Å; L132-Q190 PolarHBondContact O-OE1 2.84Å; H135-Q190 PolarHBondContact O-NE2 2.76Å; H135-Q190 VanDerWaalsContact O-NE2 3.13Å; A136-Q190 PolarHBondContact O-NE2 2.9Å; E138-Q190 PolarHBondContact O-NE2 2.95Å; E138-Q190 VanDerWaalsContact O-NE2 3.09Å; V139-Q190 CarbonylContact C-O 3.59Å; V139-Q190 VanDerWaalsContact CA-O 3.31Å; V139-Q190 WeakPolarHBondContact CA-O 3.34Å; V140-Q190 PolarHBondContact N-O 3Å; K169-Q190 HydrophobicContact CB-CB 4.22Å; K169-Q190 HydrophobicContact CD-CB 4.42Å; K169-Q190 PolarHBondContact O-N 3.26Å
191V98.9Very high98.1Very high0 Ų046.3 Ų46.30%023%0.229CC..EExtended strand (participates in β ladder)trans-131.2117.8-172.4-172.90000110.8L132 V140 L142 F166 K169 L170 C171 V193L132-V191 HydrophobicContact CD1-CG2 3.45Å; L132-V191 VanDerWaalsContact CD1-CG2 3.45Å; V140-V191 HydrophobicContact CG2-CB 4.41Å; V140-V191 HydrophobicContact CG2-CG1 4.25Å; V140-V191 HydrophobicContact CG2-CG2 3.97Å; L142-V191 HydrophobicContact CD1-CG1 3.73Å; L142-V191 HydrophobicContact CG-CG1 4.05Å; F166-V191 HydrophobicContact CB-CG2 4.35Å; F166-V191 HydrophobicContact CD1-CG2 3.66Å; F166-V191 HydrophobicContact CD2-CG1 4.26Å; F166-V191 HydrophobicContact CD2-CG2 4.47Å; F166-V191 HydrophobicContact CE1-CG2 4Å; F166-V191 HydrophobicContact CE2-CG1 4.3Å; F166-V191 HydrophobicContact CG-CG1 4.49Å; F166-V191 HydrophobicContact CG-CG2 3.92Å; K169-V191 HydrophobicContact CB-CG2 4.27Å; K169-V191 PolarHBondContact O-N 3.33Å; L170-V191 HydrophobicContact CD2-CB 4.22Å; L170-V191 HydrophobicContact CD2-CG1 4.1Å; C171-V191 WeakPolarHBondContact CB-O 3.43Å; C171-V191 PolarHBondContact N-O 3.43Å; V191-V193 HydrophobicContact CG1-CG2 3.79Å
192L98.9Very high97.9Very high0 Ų053.8 Ų53.80%026%0.264CS..EExtended strand (participates in β ladder)trans-100.5125.7166.2-72.581.4000108.9V139 V140 F141 L142 C171 V179 L184 F194 W207 F242V139-L192 HydrophobicContact CG1-CD1 3.63Å; V140-L192 PolarHBondContact O-N 2.91Å; F141-L192 HydrophobicContact CD1-CB 4.28Å; F141-L192 HydrophobicContact CD1-CD2 4.41Å; F141-L192 HydrophobicContact CE1-CD2 4Å; L142-L192 PolarHBondContact N-O 3.49Å; C171-L192 HydrophobicContact CB-CD1 4.25Å; C171-L192 HydrophobicContact CB-CG 4.06Å; V179-L192 HydrophobicContact CG1-CD2 4.23Å; L184-L192 HydrophobicContact CD1-CD1 3.9Å; L184-L192 HydrophobicContact CD2-CD1 4.23Å; L192-F194 HydrophobicContact CB-CE2 3.75Å; L192-F194 HydrophobicContact CB-CZ 4.33Å; L192-F194 HydrophobicContact CD2-CE2 4.37Å; L192-F194 HydrophobicContact CD2-CZ 4.2Å; L192-W207 HydrophobicContact CD2-CH2 4.48Å; L192-W207 HydrophobicContact CD2-CZ2 4.1Å; L192-F242 HydrophobicContact CD2-CE2 4.08Å; L192-F242 HydrophobicContact CD2-CZ 3.86Å
193V98.9Very high97.9Very high0 Ų050.7 Ų50.70%025%0.251CS..EExtended strand (participates in β ladder)trans-111.7111.3-177.9-175.60000109.9L142 F144 L162 L170 V191 Y195 F205 L206 W207L142-V193 WeakPolarHBondContact O-CA 3.14Å; F144-V193 HydrophobicContact CD2-CG1 3.64Å; F144-V193 HydrophobicContact CE2-CG1 3.69Å; L162-V193 HydrophobicContact CD1-CG1 4.07Å; L162-V193 HydrophobicContact CD2-CG2 4.33Å; L170-V193 HydrophobicContact CD2-CG2 3.78Å; V191-V193 HydrophobicContact CG1-CG2 3.79Å; V193-Y195 HydrophobicContact CG1-CD2 4.37Å; V193-F205 HydrophobicContact CB-CD2 4.45Å; V193-F205 HydrophobicContact CG2-CD2 4.33Å; V193-L206 HydrophobicContact CB-CD2 4.05Å; V193-L206 HydrophobicContact CG1-CD2 3.51Å; V193-W207 WeakPolarHBondContact O-CB 3.21Å; V193-W207 PolarHBondContact O-N 2.95Å
194F98.7Very high97.8Very high0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-93.8134.9172.4-60-92.9000109.3F141 L142 D143 F144 L192 W207 M211 M212 F242F141-F194 AromaticContact CD1-CE2 3.75Å; F141-F194 HydrophobicContact CD1-CE2 3.75Å; F141-F194 HydrophobicContact CD1-CZ 4.36Å; L142-F194 PolarHBondContact O-N 3.15Å; D143-F194 HydrophobicContact CB-CB 4.4Å; F144-F194 WeakPolarHBondContact CB-O 3.44Å; F144-F194 PolarHBondContact N-O 2.84Å; L192-F194 HydrophobicContact CB-CE2 3.75Å; L192-F194 HydrophobicContact CB-CZ 4.33Å; L192-F194 HydrophobicContact CD2-CE2 4.37Å; L192-F194 HydrophobicContact CD2-CZ 4.2Å; F194-W207 CarbonylContact C-O 3.57Å; F194-W207 WeakPolarHBondContact CA-O 3.47Å; F194-W207 HydrophobicContact CD1-CB 3.52Å; F194-W207 HydrophobicContact CD1-CG 4.34Å; F194-W207 HydrophobicContact CE1-CB 3.69Å; F194-W207 HydrophobicContact CE1-CD2 4.11Å; F194-W207 AromaticContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CG 4.07Å; F194-W207 HydrophobicContact CG-CB 4.12Å; F194-W207 HydrophobicContact CZ-CB 4.35Å; F194-W207 HydrophobicContact CZ-CD2 4.24Å; F194-W207 HydrophobicContact CZ-CE3 4.16Å; F194-W207 HydrophobicContact CZ-CG 4.32Å; F194-M211 HydrophobicContact CD1-CB 4.33Å; F194-M211 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CB-CB 4.14Å; F194-M212 HydrophobicContact CD1-CB 3.54Å; F194-M212 HydrophobicContact CD1-CE 4.04Å; F194-M212 HydrophobicContact CD1-CG 4.44Å; F194-M212 HydrophobicContact CD2-CE 3.55Å; F194-M212 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CE1-CE 3.74Å; F194-M212 HydrophobicContact CE2-CE 3.27Å; F194-M212 HydrophobicContact CG-CB 3.79Å; F194-M212 HydrophobicContact CG-CE 3.95Å; F194-M212 HydrophobicContact CG-CG 4.31Å; F194-M212 HydrophobicContact CZ-CE 3.36Å; F194-F242 AromaticContact CE1-CD2 3.72Å; F194-F242 HydrophobicContact CE1-CD2 3.72Å; F194-F242 HydrophobicContact CE1-CE2 4.22Å; F194-F242 AromaticContact CZ-CD2 3.46Å; F194-F242 HydrophobicContact CZ-CD2 3.46Å; F194-F242 VanDerWaalsContact CZ-CD2 3.46Å; F194-F242 AromaticContact CZ-CE2 3.69Å; F194-F242 HydrophobicContact CZ-CE2 3.69Å; F194-F242 HydrophobicContact CZ-CG 4.16Å
195Y98.6Very high97.8Very high2 Ų253 Ų531%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-139.6114.4-166.4-150.8-95.6000111.8F144 F147 H155 L158 V193 S197 M199 L206 W207 G209F144-Y195 HydrophobicContact CB-CD2 3.73Å; F144-Y195 HydrophobicContact CB-CE2 4.05Å; F144-Y195 HydrophobicContact CD2-CD2 4.01Å; F144-Y195 HydrophobicContact CD2-CE2 4.36Å; F144-Y195 AromaticContact CG-CD2 3.97Å; F144-Y195 HydrophobicContact CG-CD2 3.97Å; F144-Y195 HydrophobicContact CG-CE2 4.08Å; F147-Y195 HydrophobicContact CE1-CE1 4.3Å; F147-Y195 AromaticContact CE1-CE2 3.98Å; F147-Y195 HydrophobicContact CE1-CE2 3.98Å; F147-Y195 AromaticContact CE1-CZ 3.72Å; F147-Y195 HydrophobicContact CE2-CD1 4.35Å; F147-Y195 HydrophobicContact CE2-CE1 4.17Å; F147-Y195 HydrophobicContact CZ-CD1 4.01Å; F147-Y195 AromaticContact CZ-CD2 3.93Å; F147-Y195 HydrophobicContact CZ-CD2 3.93Å; F147-Y195 AromaticContact CZ-CE1 3.61Å; F147-Y195 HydrophobicContact CZ-CE1 3.61Å; F147-Y195 AromaticContact CZ-CE2 3.54Å; F147-Y195 HydrophobicContact CZ-CE2 3.54Å; F147-Y195 HydrophobicContact CZ-CG 4.16Å; F147-Y195 AromaticContact CZ-CZ 3.36Å; H155-Y195 AromaticContact ND1-CE1 3.51Å; H155-Y195 AromaticContact ND1-CZ 3.54Å; H155-Y195 PolarHBondContact ND1-OH 2.99Å; L158-Y195 HydrophobicContact CD2-CE2 3.8Å; L158-Y195 WeakPolarHBondContact CD2-OH 3.36Å; L158-Y195 HydrophobicContact CG-CE2 4.29Å; V193-Y195 HydrophobicContact CG1-CD2 4.37Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.66Å; Y195-S197 VanDerWaalsContact O-N 3.11Å; Y195-M199 HydrophobicContact CD1-CB 4.44Å; Y195-M199 HydrophobicContact CE1-CB 4.14Å; Y195-L206 HydrophobicContact CD1-CD1 3.87Å; Y195-L206 HydrophobicContact CD2-CD1 4.18Å; Y195-L206 HydrophobicContact CD2-CD2 3.92Å; Y195-L206 HydrophobicContact CE1-CD1 4.25Å; Y195-L206 HydrophobicContact CG-CD1 3.83Å; Y195-L206 HydrophobicContact CG-CD2 4.13Å; Y195-L206 HydrophobicContact CG-CG 4.43Å; Y195-W207 PolarHBondContact N-O 2.84Å; Y195-G209 PolarHBondContact O-N 3.09Å
196H97.4Very high97.8Very high73 Ų7350.5 Ų50.534%0.33826%0.262SS..  trans-89.356.2-175.6-73.4-114.1000112.6D143 F144 N145 F147 G209D143-H196 IonicContact OD1-CD2 2.85Å; D143-H196 PolarHBondContact OD1-CD2 2.92Å; D143-H196 IonicContact OD1-NE2 3.44Å; D143-H196 PolarHBondContact OD1-NE2 2.87Å; F144-H196 PolarHBondContact O-N 3.39Å; F144-H196 VanDerWaalsContact O-N 3.14Å; N145-H196 VanDerWaalsContact O-CB 3.3Å; N145-H196 WeakPolarHBondContact O-CB 3.33Å; F147-H196 HydrophobicContact CE2-CB 4.35Å; H196-G209 VanDerWaalsContact CD2-CA 3.49Å; H196-G209 WeakPolarHBondContact CD2-CA 3.09Å; H196-G209 WeakPolarHBondContact NE2-CA 3.39Å
197S96.8Very high97.8Very high23 Ų2344.2 Ų44.216%0.16123%0.232CC..SBendtrans-151.8151.9177.3168.80000110.1Y195 M199 A200Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.66Å; Y195-S197 VanDerWaalsContact O-N 3.11Å; S197-M199 PolarHBondContact O-N 2.66Å; S197-A200 WeakPolarHBondContact O-CB 3.17Å; S197-A200 PolarHBondContact O-N 2.95Å
198P96.3Very high97.8Very high98 Ų9842 Ų4264%0.63622%0.222SC*.G310 helixtrans-52.3-22.6175.1-28.336.3000114.6A200 L201P198-A200 PolarHBondContact O-N 2.86Å; P198-A200 VanDerWaalsContact O-N 3.09Å; P198-L201 WeakPolarHBondContact O-CB 3.24Å; P198-L201 PolarHBondContact O-N 3.07Å
199M95.8Very high97.7Very high22 Ų2235 Ų3511%0.10819%0.19CC..G310 helixtrans-55.5-25173.8-168.3158.4-61.600113.7H155 E156 V159 Y195 S197 L201 E202 V203 L206H155-M199 HydrophobicContact CB-CE 3.3Å; H155-M199 HydrophobicContact CB-SD 3.51Å; H155-M199 VanDerWaalsContact CB-SD 3.51Å; E156-M199 HydrophobicContact CG-CE 4.24Å; V159-M199 HydrophobicContact CG2-CG 4.29Å; V159-M199 HydrophobicContact CG2-SD 3.58Å; V159-M199 VanDerWaalsContact CG2-SD 3.58Å; Y195-M199 HydrophobicContact CD1-CB 4.44Å; Y195-M199 HydrophobicContact CE1-CB 4.14Å; S197-M199 PolarHBondContact O-N 2.66Å; M199-L201 PolarHBondContact O-N 2.87Å; M199-E202 PolarHBondContact O-N 2.89Å; M199-V203 HydrophobicContact CG-CG2 3.85Å; M199-V203 PolarHBondContact O-N 2.86Å; M199-L206 HydrophobicContact CG-CD1 4.12Å
200A97.1Very high97.5Very high8 Ų840.1 Ų40.17%0.06622%0.215CC..G310 helixtrans-61.3-22.7174.500000113.5S197 P198 E202 L206 P208S197-A200 WeakPolarHBondContact O-CB 3.17Å; S197-A200 PolarHBondContact O-N 2.95Å; P198-A200 PolarHBondContact O-N 2.86Å; P198-A200 VanDerWaalsContact O-N 3.09Å; A200-E202 VanDerWaalsContact C-N 3.32Å; A200-L206 HydrophobicContact CB-CB 4.14Å; A200-L206 VanDerWaalsContact O-O 3.11Å; A200-P208 HydrophobicContact CB-CB 4.46Å; A200-P208 HydrophobicContact CB-CG 4.4Å
201L95.8Very high97.3Very high145 Ų14541.2 Ų41.276%0.75922%0.221SC*.G310 helixtrans-82.7-13.2177.5-57.1177.4000112.8P198 M199 P208P198-L201 WeakPolarHBondContact O-CB 3.24Å; P198-L201 PolarHBondContact O-N 3.07Å; M199-L201 PolarHBondContact O-N 2.87Å; L201-P208 HydrophobicContact CD2-CG 4.31Å
202E95.8Very high97.2Very high156 Ų15641.3 Ų41.373%0.72922%0.221SC*.THydrogen-bonded Turntrans-107.9-25.5-173.6-60.9-179.6-174.700112.5M199 A200M199-E202 PolarHBondContact O-N 2.89Å; A200-E202 VanDerWaalsContact C-N 3.32Å
203V98.1Very high97Very high18 Ų1842.8 Ų42.811%0.10923%0.231CC..SBendtrans-108.2118.1-174.5-1780000110.5V159 M199 F205 L206V159-V203 HydrophobicContact CG1-CG1 3.94Å; V159-V203 HydrophobicContact CG1-CG2 4.07Å; V159-V203 HydrophobicContact CG2-CG2 4.23Å; M199-V203 HydrophobicContact CG-CG2 3.85Å; M199-V203 PolarHBondContact O-N 2.86Å; V203-F205 VanDerWaalsContact C-N 3.27Å; V203-F205 HydrophobicContact CG1-CD1 3.71Å; V203-F205 HydrophobicContact CG1-CE1 3.41Å; V203-F205 VanDerWaalsContact CG1-CE1 3.41Å; V203-F205 HydrophobicContact CG1-CE2 4.4Å; V203-F205 HydrophobicContact CG1-CG 4.33Å; V203-F205 HydrophobicContact CG1-CZ 3.8Å; V203-F205 PolarHBondContact O-N 3.33Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 3.71Å; V203-L206 HydrophobicContact CB-CG 3.75Å; V203-L206 HydrophobicContact CG1-CD1 4.11Å; V203-L206 HydrophobicContact CG1-CG 3.78Å; V203-L206 HydrophobicContact CG2-CD1 4.06Å; V203-L206 PolarHBondContact O-N 3.21Å
204P97.5Very high96.8Very high93 Ų9344 Ų4460%0.60424%0.241SC*.THydrogen-bonded Turntrans-61.1-21.3-168.2-2935.3000117.7P172 V173P172-P204 WeakPolarHBondContact CA-O 3.32Å; V173-P204 WeakPolarHBondContact CG2-O 3.3Å; V173-P204 PolarHBondContact N-O 2.87Å
205F98.5Very high96.6Very high9 Ų946 Ų464%0.03925%0.254CS..THydrogen-bonded Turntrans-101-1179.569.4-98.9000113.5V159 L162 R163 L170 V193 V203V159-F205 HydrophobicContact CG1-CE1 4.42Å; V159-F205 HydrophobicContact CG1-CZ 4.07Å; L162-F205 HydrophobicContact CB-CE2 4Å; L162-F205 HydrophobicContact CB-CZ 4.11Å; L162-F205 HydrophobicContact CD1-CE2 4.12Å; R163-F205 HydrophobicContact CG-CE1 3.6Å; R163-F205 HydrophobicContact CG-CZ 3.89Å; R163-F205 VanDerWaalsContact CZ-CE1 3.46Å; L170-F205 HydrophobicContact CB-CB 4.07Å; L170-F205 HydrophobicContact CB-CD2 4.33Å; L170-F205 HydrophobicContact CB-CG 4.13Å; L170-F205 HydrophobicContact CD1-CD1 4.04Å; L170-F205 HydrophobicContact CD1-CD2 3.94Å; L170-F205 HydrophobicContact CD1-CE1 4Å; L170-F205 HydrophobicContact CD1-CE2 3.91Å; L170-F205 HydrophobicContact CD1-CG 4.01Å; L170-F205 HydrophobicContact CD1-CZ 3.94Å; L170-F205 HydrophobicContact CD2-CD2 3.87Å; L170-F205 HydrophobicContact CD2-CE2 4.11Å; L170-F205 HydrophobicContact CD2-CG 4.5Å; L170-F205 HydrophobicContact CG-CD2 4.28Å; L170-F205 HydrophobicContact CG-CG 4.45Å; V193-F205 HydrophobicContact CB-CD2 4.45Å; V193-F205 HydrophobicContact CG2-CD2 4.33Å; V203-F205 VanDerWaalsContact C-N 3.27Å; V203-F205 HydrophobicContact CG1-CD1 3.71Å; V203-F205 HydrophobicContact CG1-CE1 3.41Å; V203-F205 VanDerWaalsContact CG1-CE1 3.41Å; V203-F205 HydrophobicContact CG1-CE2 4.4Å; V203-F205 HydrophobicContact CG1-CG 4.33Å; V203-F205 HydrophobicContact CG1-CZ 3.8Å; V203-F205 PolarHBondContact O-N 3.33Å
206L98.6Very high96.3Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-91.3106.5176.4-65.9-171.2000109.5V159 L162 V173 V193 Y195 M199 A200 V203 P208V159-L206 HydrophobicContact CG2-CD1 3.85Å; L162-L206 HydrophobicContact CD1-CD2 4.23Å; V173-L206 VanDerWaalsContact CG2-O 3.29Å; V173-L206 WeakPolarHBondContact CG2-O 3.15Å; V193-L206 HydrophobicContact CB-CD2 4.05Å; V193-L206 HydrophobicContact CG1-CD2 3.51Å; Y195-L206 HydrophobicContact CD1-CD1 3.87Å; Y195-L206 HydrophobicContact CD2-CD1 4.18Å; Y195-L206 HydrophobicContact CD2-CD2 3.92Å; Y195-L206 HydrophobicContact CE1-CD1 4.25Å; Y195-L206 HydrophobicContact CG-CD1 3.83Å; Y195-L206 HydrophobicContact CG-CD2 4.13Å; Y195-L206 HydrophobicContact CG-CG 4.43Å; M199-L206 HydrophobicContact CG-CD1 4.12Å; A200-L206 HydrophobicContact CB-CB 4.14Å; A200-L206 VanDerWaalsContact O-O 3.11Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 3.71Å; V203-L206 HydrophobicContact CB-CG 3.75Å; V203-L206 HydrophobicContact CG1-CD1 4.11Å; V203-L206 HydrophobicContact CG1-CG 3.78Å; V203-L206 HydrophobicContact CG2-CD1 4.06Å; V203-L206 PolarHBondContact O-N 3.21Å; L206-P208 WeakPolarHBondContact O-CD 3.3Å
207W98.4Very high96Very high0 Ų049.5 Ų49.50%027%0.269CS..EExtended strand (participates in β ladder)trans-69.4126.3174-65.961.3000109C171 P172 V173 V174 A176 V179 L192 V193 F194 Y195 G209 M211 F242C171-W207 PolarHBondContact O-NE1 2.98Å; P172-W207 VanDerWaalsContact O-CZ2 3.28Å; P172-W207 WeakPolarHBondContact O-CZ2 3.44Å; P172-W207 PolarHBondContact O-NE1 2.92Å; V173-W207 HydrophobicContact CG1-CD2 4.43Å; V173-W207 HydrophobicContact CG2-CB 4.33Å; V173-W207 HydrophobicContact CG2-CD2 4.31Å; V173-W207 HydrophobicContact CG2-CG 3.91Å; V174-W207 HydrophobicContact CG2-CH2 3.78Å; V174-W207 HydrophobicContact CG2-CZ2 3.98Å; V174-W207 WeakPolarHBondContact O-CH2 3.38Å; V174-W207 VanDerWaalsContact O-CZ3 3.28Å; V174-W207 WeakPolarHBondContact O-CZ3 3.47Å; A176-W207 HydrophobicContact CB-CZ3 4.39Å; V179-W207 HydrophobicContact CG2-CH2 3.54Å; V179-W207 HydrophobicContact CG2-CZ2 4.07Å; L192-W207 HydrophobicContact CD2-CH2 4.48Å; L192-W207 HydrophobicContact CD2-CZ2 4.1Å; V193-W207 WeakPolarHBondContact O-CB 3.21Å; V193-W207 PolarHBondContact O-N 2.95Å; F194-W207 CarbonylContact C-O 3.57Å; F194-W207 WeakPolarHBondContact CA-O 3.47Å; F194-W207 HydrophobicContact CD1-CB 3.52Å; F194-W207 HydrophobicContact CD1-CG 4.34Å; F194-W207 HydrophobicContact CE1-CB 3.69Å; F194-W207 HydrophobicContact CE1-CD2 4.11Å; F194-W207 AromaticContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CE3 3.86Å; F194-W207 HydrophobicContact CE1-CG 4.07Å; F194-W207 HydrophobicContact CG-CB 4.12Å; F194-W207 HydrophobicContact CZ-CB 4.35Å; F194-W207 HydrophobicContact CZ-CD2 4.24Å; F194-W207 HydrophobicContact CZ-CE3 4.16Å; F194-W207 HydrophobicContact CZ-CG 4.32Å; Y195-W207 PolarHBondContact N-O 2.84Å; W207-G209 PolarHBondContact O-N 2.97Å; W207-M211 HydrophobicContact CE3-CE 3.44Å; W207-M211 VanDerWaalsContact CE3-CE 3.44Å; W207-M211 HydrophobicContact CE3-SD 3.73Å; W207-M211 HydrophobicContact CZ3-CE 3.4Å; W207-M211 VanDerWaalsContact CZ3-CE 3.4Å; W207-M211 HydrophobicContact CZ3-SD 4.3Å; W207-F242 HydrophobicContact CE3-CE2 4.29Å; W207-F242 HydrophobicContact CH2-CE2 4.45Å; W207-F242 AromaticContact CZ3-CE2 3.9Å; W207-F242 HydrophobicContact CZ3-CE2 3.9Å
208P97.8Very high95.6Very high23 Ų2353 Ų5315%0.14929%0.286CS..EExtended strand (participates in β ladder)trans-54.3133.4174.1-26.934.3000111A200 L201 L206 Q210 M211A200-P208 HydrophobicContact CB-CB 4.46Å; A200-P208 HydrophobicContact CB-CG 4.4Å; L201-P208 HydrophobicContact CD2-CG 4.31Å; L206-P208 WeakPolarHBondContact O-CD 3.3Å; P208-Q210 PolarHBondContact O-N 2.83Å; P208-M211 VanDerWaalsContact O-CB 3.3Å; P208-M211 WeakPolarHBondContact O-CB 3.39Å; P208-M211 PolarHBondContact O-N 2.89Å
209G96.1Very high95.2Very high2 Ų249.1 Ų49.12%0.02126%0.261CS..G310 helixtrans-54.8-24.2-177.800000114.9Y195 H196 W207 M211 M212Y195-G209 PolarHBondContact O-N 3.09Å; H196-G209 VanDerWaalsContact CD2-CA 3.49Å; H196-G209 WeakPolarHBondContact CD2-CA 3.09Å; H196-G209 WeakPolarHBondContact NE2-CA 3.39Å; W207-G209 PolarHBondContact O-N 2.97Å; G209-M211 PolarHBondContact O-N 2.86Å; G209-M211 VanDerWaalsContact O-N 3.15Å; G209-M212 CarbonylContact O-C 3.54Å; G209-M212 PolarHBondContact O-N 3.37Å
210Q94.5Very high94.7Very high157 Ų15750.3 Ų50.373%0.73427%0.269SS*.G310 helixtrans-64.2-16.8174.1-59.181.31.600113.3P208 M212P208-Q210 PolarHBondContact O-N 2.83Å; Q210-M212 VanDerWaalsContact C-N 3.27Å
211M95.8Very high94.3Very high37 Ų3752.4 Ų52.418%0.18228%0.279CS..G310 helixtrans-81-6172.8-59.4-174.973.300113.1V173 A176 F194 W207 P208 G209 P213 T241 F242V173-M211 HydrophobicContact CG1-SD 4.21Å; A176-M211 HydrophobicContact CB-CE 4.41Å; F194-M211 HydrophobicContact CD1-CB 4.33Å; F194-M211 HydrophobicContact CE1-CB 4.09Å; W207-M211 HydrophobicContact CE3-CE 3.44Å; W207-M211 VanDerWaalsContact CE3-CE 3.44Å; W207-M211 HydrophobicContact CE3-SD 3.73Å; W207-M211 HydrophobicContact CZ3-CE 3.4Å; W207-M211 VanDerWaalsContact CZ3-CE 3.4Å; W207-M211 HydrophobicContact CZ3-SD 4.3Å; P208-M211 VanDerWaalsContact O-CB 3.3Å; P208-M211 WeakPolarHBondContact O-CB 3.39Å; P208-M211 PolarHBondContact O-N 2.89Å; G209-M211 PolarHBondContact O-N 2.86Å; G209-M211 VanDerWaalsContact O-N 3.15Å; M211-P213 VanDerWaalsContact C-CD 3.42Å; M211-T241 WeakPolarHBondContact O-CB 3.33Å; M211-F242 WeakPolarHBondContact O-CB 3.31Å; M211-F242 PolarHBondContact O-N 2.99Å
212M95.8Very high94.1Very high1 Ų147.2 Ų47.21%0.00525%0.254CS..SBendtrans-126.763.6174.1-17061.771.600111F94 F141 F194 G209 Q210 A214 F242 V244 I292F94-M212 HydrophobicContact CD2-CE 4.34Å; F94-M212 HydrophobicContact CD2-SD 4.46Å; F94-M212 HydrophobicContact CE2-CE 3.94Å; F94-M212 HydrophobicContact CE2-CG 3.94Å; F94-M212 HydrophobicContact CE2-SD 3.76Å; F94-M212 HydrophobicContact CZ-CG 4.37Å; F141-M212 HydrophobicContact CD1-CE 4.02Å; F194-M212 HydrophobicContact CB-CB 4.14Å; F194-M212 HydrophobicContact CD1-CB 3.54Å; F194-M212 HydrophobicContact CD1-CE 4.04Å; F194-M212 HydrophobicContact CD1-CG 4.44Å; F194-M212 HydrophobicContact CD2-CE 3.55Å; F194-M212 HydrophobicContact CE1-CB 4.09Å; F194-M212 HydrophobicContact CE1-CE 3.74Å; F194-M212 HydrophobicContact CE2-CE 3.27Å; F194-M212 HydrophobicContact CG-CB 3.79Å; F194-M212 HydrophobicContact CG-CE 3.95Å; F194-M212 HydrophobicContact CG-CG 4.31Å; F194-M212 HydrophobicContact CZ-CE 3.36Å; G209-M212 CarbonylContact O-C 3.54Å; G209-M212 PolarHBondContact O-N 3.37Å; Q210-M212 VanDerWaalsContact C-N 3.27Å; M212-A214 PolarHBondContact O-N 3.22Å; M212-F242 HydrophobicContact CE-CB 3.47Å; M212-F242 VanDerWaalsContact CE-CB 3.47Å; M212-F242 HydrophobicContact CE-CD1 4.43Å; M212-F242 HydrophobicContact CE-CD2 4.26Å; M212-F242 HydrophobicContact CE-CG 3.81Å; M212-F242 HydrophobicContact SD-CB 3.58Å; M212-F242 VanDerWaalsContact SD-CB 3.58Å; M212-V244 HydrophobicContact CG-CG2 3.87Å; M212-V244 HydrophobicContact SD-CG2 3.43Å; M212-V244 WeakPolarHBondContact SD-CG2 3.43Å; M212-I292 HydrophobicContact CE-CD1 3.65Å; M212-I292 HydrophobicContact SD-CD1 3.57Å; M212-I292 VanDerWaalsContact SD-CD1 3.57Å
213P94.7Very high94Very high31 Ų3144.9 Ų44.920%0.20125%0.247CC..  trans-58.1123.2173.725.1-36.2000111.6M211 T241 F242 F243 V244M211-P213 VanDerWaalsContact C-CD 3.42Å; P213-T241 WeakPolarHBondContact CD-OG1 3.43Å; P213-T241 WeakPolarHBondContact CG-OG1 3.26Å; P213-F242 WeakPolarHBondContact CD-O 3.29Å; P213-F242 WeakPolarHBondContact CG-O 3.45Å; P213-F243 HydrophobicContact CB-CD2 4.27Å; P213-F243 HydrophobicContact CG-CD2 3.79Å; P213-V244 PolarHBondContact O-N 3.05Å
214A94.6Very high93.9Very high26 Ų2649.8 Ų49.822%0.21527%0.267CS..  trans-125.573.5176.900000110.4M212 V244 Q246M212-A214 PolarHBondContact O-N 3.22Å; A214-V244 HydrophobicContact CB-CB 3.73Å; A214-V244 HydrophobicContact CB-CG1 4.31Å; A214-V244 HydrophobicContact CB-CG2 4.09Å; A214-Q246 PolarHBondContact O-NE2 2.99Å
215P94.3Very high93.8Very high41 Ų4145.4 Ų45.427%0.26624%0.238SC..  trans-61.5139.6-179.727.3-35.4000111.6F228 F243P215-F228 HydrophobicContact CB-CE1 4Å; P215-F228 HydrophobicContact CB-CZ 3.78Å; P215-F228 HydrophobicContact CG-CE1 4.48Å; P215-F243 HydrophobicContact CG-CE2 4.07Å; P215-F243 HydrophobicContact CG-CZ 3.7Å
216W92.4Very high93.7Very high128 Ų12846.3 Ų46.349%0.48524%0.243SC..  trans-116122.5-172.9-17944000112.1N218 F228 T250W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 HydrophobicContact CD2-CB 3.87Å; W216-N218 HydrophobicContact CE3-CB 3.97Å; W216-N218 HydrophobicContact CG-CB 4.48Å; W216-N218 HydrophobicContact CH2-CB 4.33Å; W216-N218 HydrophobicContact CZ2-CB 4.25Å; W216-N218 HydrophobicContact CZ3-CB 4.18Å; W216-N218 PolarHBondContact O-N 2.83Å; W216-F228 VanDerWaalsContact C-CZ 3.47Å; W216-T250 VanDerWaalsContact CE2-OG1 3.25Å; W216-T250 HydrophobicContact CH2-CG2 4.09Å; W216-T250 HydrophobicContact CZ2-CG2 3.44Å; W216-T250 VanDerWaalsContact CZ2-CG2 3.44Å; W216-T250 WeakPolarHBondContact CZ2-OG1 3.2Å; W216-T250 PolarHBondContact NE1-OG1 3.03Å
217A91.9Very high93.6Very high22 Ų2252.3 Ų52.318%0.18227%0.271CS..  trans-69.7-26-176.600000113.6T219 L225 F228A217-T219 HydrophobicContact CB-CG2 3.91Å; A217-T219 PolarHBondContact O-N 2.93Å; A217-L225 HydrophobicContact CB-CD1 3.72Å; A217-F228 HydrophobicContact CB-CB 3.98Å; A217-F228 HydrophobicContact CB-CD1 3.53Å; A217-F228 HydrophobicContact CB-CD2 4.28Å; A217-F228 HydrophobicContact CB-CE1 4.02Å; A217-F228 HydrophobicContact CB-CG 3.66Å
218N87.4Confident93.6Very high96 Ų9655.4 Ų55.451%0.51329%0.285SS..  trans43.955.8-179.1-169.710.8000113.2W216W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 HydrophobicContact CD2-CB 3.87Å; W216-N218 HydrophobicContact CE3-CB 3.97Å; W216-N218 HydrophobicContact CG-CB 4.48Å; W216-N218 HydrophobicContact CH2-CB 4.33Å; W216-N218 HydrophobicContact CZ2-CB 4.25Å; W216-N218 HydrophobicContact CZ3-CB 4.18Å; W216-N218 PolarHBondContact O-N 2.83Å
219T87.6Confident93.5Very high17 Ų1754.4 Ų54.410%0.10428%0.278CS..  trans-139.4153.6-175.3-174.20000111.8A217 D221 K224 L225 L249 T250A217-T219 HydrophobicContact CB-CG2 3.91Å; A217-T219 PolarHBondContact O-N 2.93Å; T219-D221 WeakPolarHBondContact OG1-CB 3.5Å; T219-D221 PolarHBondContact OG1-N 3.43Å; T219-D221 VanDerWaalsContact OG1-N 3.1Å; T219-K224 HydrophobicContact CG2-CB 4.22Å; T219-L225 HydrophobicContact CG2-CB 3.99Å; T219-L249 HydrophobicContact CG2-CD2 4.17Å; T219-L249 CarbonylContact O-C 3.52Å; T219-L249 WeakPolarHBondContact O-CA 3.36Å; T219-L249 WeakPolarHBondContact O-CD2 3.48Å; T219-T250 PolarHBondContact O-N 3.32Å
220T85.4Confident93.5Very high46 Ų4659.6 Ų59.628%0.28230%0.302SS..SBendtrans-98-4.8170.237.80000112.4T250 K252 I268T220-T250 WeakPolarHBondContact CG2-O 3.35Å; T220-K252 HydrophobicContact CG2-CG 4.35Å; T220-I268 HydrophobicContact CG2-CD1 4.5Å
221D89.8Confident93.5Very high52 Ų5255.1 Ų55.128%0.27829%0.292SS..  trans-99.9114.9-172-178.5-25.4000109.6T219 D223 K224 L225T219-D221 WeakPolarHBondContact OG1-CB 3.5Å; T219-D221 PolarHBondContact OG1-N 3.43Å; T219-D221 VanDerWaalsContact OG1-N 3.1Å; D221-D223 VanDerWaalsContact C-N 3.3Å; D221-D223 PolarHBondContact O-N 3.18Å; D221-D223 PolarHBondContact OD1-N 3.05Å; D221-K224 HydrophobicContact CB-CB 4.08Å; D221-K224 HydrophobicContact CB-CD 3.95Å; D221-K224 HydrophobicContact CB-CG 4.05Å; D221-K224 PolarHBondContact O-N 3.16Å; D221-K224 PolarHBondContact OD1-N 2.93Å; D221-K224 VanDerWaalsContact OD2-CE 3.29Å; D221-K224 WeakPolarHBondContact OD2-CE 3.39Å; D221-K224 IonicContact OD2-NZ 3.35Å; D221-L225 PolarHBondContact O-N 3.42Å
222P91.4Very high93.4Very high37 Ų3754.1 Ų54.124%0.2429%0.288CS..Hα-helixtrans-58.6-37.6-179.3-23.432.8000113.6K224 L225 I226 L249 A272P222-K224 VanDerWaalsContact C-N 3.35Å; P222-K224 PolarHBondContact O-N 3.45Å; P222-L225 WeakPolarHBondContact O-CB 3.48Å; P222-L225 PolarHBondContact O-N 2.9Å; P222-I226 WeakPolarHBondContact O-CG1 3.27Å; P222-I226 PolarHBondContact O-N 3.32Å; P222-L249 HydrophobicContact CG-CD1 4.09Å; P222-A272 HydrophobicContact CB-CB 4.3Å; P222-A272 HydrophobicContact CG-CB 3.83Å
223D93.6Very high93.3Very high107 Ų10754.8 Ų54.857%0.57229%0.292SS*.Hα-helixtrans-69.3-39.1-177.2-66-31000110.6D221 L225 I226 Q227D221-D223 VanDerWaalsContact C-N 3.3Å; D221-D223 PolarHBondContact O-N 3.18Å; D221-D223 PolarHBondContact OD1-N 3.05Å; D223-L225 VanDerWaalsContact C-N 3.34Å; D223-I226 PolarHBondContact O-N 3.27Å; D223-Q227 VanDerWaalsContact O-CG 3.31Å; D223-Q227 WeakPolarHBondContact O-CG 3.48Å; D223-Q227 PolarHBondContact O-N 3.35Å
224K95.4Very high93.1Very high121 Ų12155 Ų5553%0.52630%0.296SS..Hα-helixtrans-65.8-37.5173.1-67.7-178.1-173.4170.80112.1T219 D221 P222 F228T219-K224 HydrophobicContact CG2-CB 4.22Å; D221-K224 HydrophobicContact CB-CB 4.08Å; D221-K224 HydrophobicContact CB-CD 3.95Å; D221-K224 HydrophobicContact CB-CG 4.05Å; D221-K224 PolarHBondContact O-N 3.16Å; D221-K224 PolarHBondContact OD1-N 2.93Å; D221-K224 VanDerWaalsContact OD2-CE 3.29Å; D221-K224 WeakPolarHBondContact OD2-CE 3.39Å; D221-K224 IonicContact OD2-NZ 3.35Å; P222-K224 VanDerWaalsContact C-N 3.35Å; P222-K224 PolarHBondContact O-N 3.45Å; K224-F228 VanDerWaalsContact O-CB 3.29Å; K224-F228 WeakPolarHBondContact O-CB 3.47Å; K224-F228 PolarHBondContact O-N 3.2Å
225L95.8Very high92.8Very high0 Ų056.8 Ų56.80%030%0.303CS..Hα-helixtrans-59.9-49.8173.5172.563.7000110.2A217 T219 D221 P222 D223 Q227 F228 L229 V247 L249 M276A217-L225 HydrophobicContact CB-CD1 3.72Å; T219-L225 HydrophobicContact CG2-CB 3.99Å; D221-L225 PolarHBondContact O-N 3.42Å; P222-L225 WeakPolarHBondContact O-CB 3.48Å; P222-L225 PolarHBondContact O-N 2.9Å; D223-L225 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 2.93Å; L225-F228 WeakPolarHBondContact O-CB 3.37Å; L225-F228 PolarHBondContact O-N 2.95Å; L225-L229 HydrophobicContact CD1-CD1 3.95Å; L225-L229 HydrophobicContact CD1-CD2 4.49Å; L225-L229 HydrophobicContact CD1-CG 4Å; L225-L229 HydrophobicContact CG-CD1 3.87Å; L225-L229 HydrophobicContact CG-CG 4.36Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.06Å; L225-V247 HydrophobicContact CD2-CG1 4.48Å; L225-L249 HydrophobicContact CB-CD2 3.89Å; L225-L249 HydrophobicContact CD2-CD2 3.74Å; L225-L249 HydrophobicContact CD2-CG 3.99Å; L225-L249 HydrophobicContact CG-CD2 4.39Å; L225-M276 HydrophobicContact CD2-CG 4.34Å; L225-M276 HydrophobicContact CD2-SD 4.15Å
226I96.7Very high92.4Very high29 Ų2955.2 Ų55.215%0.14929%0.291CS..Hα-helixtrans-61-44.4179.7-64.3-41.9000111.9P222 D223 F228 L229 Q230 W279P222-I226 WeakPolarHBondContact O-CG1 3.27Å; P222-I226 PolarHBondContact O-N 3.32Å; D223-I226 PolarHBondContact O-N 3.27Å; I226-F228 VanDerWaalsContact C-N 3.31Å; I226-F228 PolarHBondContact O-N 3.25Å; I226-L229 HydrophobicContact CD1-CD1 4.11Å; I226-L229 PolarHBondContact O-N 2.96Å; I226-Q230 HydrophobicContact CG2-CG 4.48Å; I226-Q230 VanDerWaalsContact O-CG 3.31Å; I226-Q230 WeakPolarHBondContact O-CG 3.38Å; I226-Q230 PolarHBondContact O-N 3.08Å; I226-W279 HydrophobicContact CD1-CB 3.51Å; I226-W279 HydrophobicContact CD1-CD2 4.43Å; I226-W279 HydrophobicContact CD1-CG 3.7Å; I226-W279 HydrophobicContact CG1-CB 4.47Å; I226-W279 HydrophobicContact CG2-CG 4.45Å
227Q96.8Very high91.4Very high125 Ų12555.6 Ų55.658%0.58429%0.293SS*.Hα-helixtrans-60.2-42.4175.9-71.5171.717.400111.9D223 L225 Q230 A231D223-Q227 VanDerWaalsContact O-CG 3.31Å; D223-Q227 WeakPolarHBondContact O-CG 3.48Å; D223-Q227 PolarHBondContact O-N 3.35Å; L225-Q227 PolarHBondContact O-N 2.93Å; Q227-Q230 PolarHBondContact O-N 3.42Å; Q227-A231 PolarHBondContact O-N 3Å; Q227-A231 VanDerWaalsContact O-N 3.08Å
228F97.1Very high90.4Very high66 Ų6664.5 Ų64.529%0.28932%0.322SS..Hα-helixtrans-63.8-44.6177.2180-89.2000112P215 W216 A217 K224 L225 I226 A231 S232P215-F228 HydrophobicContact CB-CE1 4Å; P215-F228 HydrophobicContact CB-CZ 3.78Å; P215-F228 HydrophobicContact CG-CE1 4.48Å; W216-F228 VanDerWaalsContact C-CZ 3.47Å; A217-F228 HydrophobicContact CB-CB 3.98Å; A217-F228 HydrophobicContact CB-CD1 3.53Å; A217-F228 HydrophobicContact CB-CD2 4.28Å; A217-F228 HydrophobicContact CB-CE1 4.02Å; A217-F228 HydrophobicContact CB-CG 3.66Å; K224-F228 VanDerWaalsContact O-CB 3.29Å; K224-F228 WeakPolarHBondContact O-CB 3.47Å; K224-F228 PolarHBondContact O-N 3.2Å; L225-F228 WeakPolarHBondContact O-CB 3.37Å; L225-F228 PolarHBondContact O-N 2.95Å; I226-F228 VanDerWaalsContact C-N 3.31Å; I226-F228 PolarHBondContact O-N 3.25Å; F228-A231 PolarHBondContact O-N 2.83Å; F228-S232 WeakPolarHBondContact CE1-OG 3.4Å; F228-S232 VanDerWaalsContact O-CB 3.24Å; F228-S232 WeakPolarHBondContact O-CB 3.48Å; F228-S232 PolarHBondContact O-N 3.01Å; F228-S232 PolarHBondContact O-OG 3.3Å
229L96.7Very high89.6Confident2 Ų264.8 Ų64.81%0.0132%0.318CS..Hα-helixtrans-61.6-45.3178.5-71.3169.1000111.2L225 I226 A231 S232 V233 V247 W279L225-L229 HydrophobicContact CD1-CD1 3.95Å; L225-L229 HydrophobicContact CD1-CD2 4.49Å; L225-L229 HydrophobicContact CD1-CG 4Å; L225-L229 HydrophobicContact CG-CD1 3.87Å; L225-L229 HydrophobicContact CG-CG 4.36Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.06Å; I226-L229 HydrophobicContact CD1-CD1 4.11Å; I226-L229 PolarHBondContact O-N 2.96Å; L229-A231 PolarHBondContact O-N 2.87Å; L229-S232 PolarHBondContact O-N 3.18Å; L229-V233 WeakPolarHBondContact O-CG2 3.31Å; L229-V233 PolarHBondContact O-N 2.91Å; L229-V247 HydrophobicContact CD1-CG1 4.39Å; L229-V247 HydrophobicContact CD1-CG2 4.01Å; L229-V247 HydrophobicContact CD2-CG2 4.45Å; L229-W279 HydrophobicContact CB-CH2 4.12Å; L229-W279 HydrophobicContact CB-CZ2 3.58Å; L229-W279 HydrophobicContact CD1-CD2 4.02Å; L229-W279 HydrophobicContact CD1-CE3 3.99Å; L229-W279 HydrophobicContact CD1-CH2 4.25Å; L229-W279 HydrophobicContact CD1-CZ2 4.27Å; L229-W279 HydrophobicContact CD1-CZ3 4.11Å; L229-W279 HydrophobicContact CD2-CH2 4.33Å; L229-W279 HydrophobicContact CG-CH2 4.48Å; L229-W279 HydrophobicContact CG-CZ2 4.38Å
230Q95.2Very high89.3Confident111 Ų11166.2 Ų66.252%0.51934%0.336SS..Hα-helixtrans-59.9-46.1176.9-72.4172.1-19.200112.3I226 Q227 S232 A234I226-Q230 HydrophobicContact CG2-CG 4.48Å; I226-Q230 VanDerWaalsContact O-CG 3.31Å; I226-Q230 WeakPolarHBondContact O-CG 3.38Å; I226-Q230 PolarHBondContact O-N 3.08Å; Q227-Q230 PolarHBondContact O-N 3.42Å; Q230-S232 VanDerWaalsContact C-N 3.33Å; Q230-S232 PolarHBondContact O-N 2.88Å; Q230-A234 WeakPolarHBondContact O-CB 3.38Å; Q230-A234 PolarHBondContact O-N 3.5Å; Q230-A234 VanDerWaalsContact O-N 3.07Å
231A94.8Very high89.7Confident63 Ų6365.2 Ų65.252%0.52133%0.33SS..Hα-helixtrans-63.7-40.3176.500000112Q227 F228 L229 A234 D235Q227-A231 PolarHBondContact O-N 3Å; Q227-A231 VanDerWaalsContact O-N 3.08Å; F228-A231 PolarHBondContact O-N 2.83Å; L229-A231 PolarHBondContact O-N 2.87Å; A231-A234 PolarHBondContact O-N 3.47Å; A231-D235 PolarHBondContact O-N 3.45Å
232S94.1Very high90Very high16 Ų1662.8 Ų62.811%0.11232%0.317CS..Hα-helixtrans-66.5-44.6-179.3-63.70000112.1F228 L229 Q230 A234 D235 R236 F243F228-S232 WeakPolarHBondContact CE1-OG 3.4Å; F228-S232 VanDerWaalsContact O-CB 3.24Å; F228-S232 WeakPolarHBondContact O-CB 3.48Å; F228-S232 PolarHBondContact O-N 3.01Å; F228-S232 PolarHBondContact O-OG 3.3Å; L229-S232 PolarHBondContact O-N 3.18Å; Q230-S232 VanDerWaalsContact C-N 3.33Å; Q230-S232 PolarHBondContact O-N 2.88Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.37Å; S232-D235 PolarHBondContact O-N 3.3Å; S232-R236 PolarHBondContact O-N 3.45Å; S232-F243 WeakPolarHBondContact O-CZ 3.45Å
233V93.2Very high90.2Very high14 Ų1461.1 Ų61.19%0.08531%0.306CS..Hα-helixtrans-62.3-39.3173.5171.20000110.8L229 D235 R236 R237 W279 I290L229-V233 WeakPolarHBondContact O-CG2 3.31Å; L229-V233 PolarHBondContact O-N 2.91Å; V233-D235 VanDerWaalsContact C-N 3.34Å; V233-D235 PolarHBondContact O-N 3.23Å; V233-R236 WeakPolarHBondContact O-CB 3.42Å; V233-R236 PolarHBondContact O-N 2.89Å; V233-R237 WeakPolarHBondContact O-CG 3.37Å; V233-W279 HydrophobicContact CG2-CZ2 4.24Å; V233-I290 HydrophobicContact CG2-CG2 3.84Å
234A91.1Very high90.4Very high35 Ų3556.1 Ų56.129%0.28928%0.28SS..Hα-helixtrans-64.9-36.3177.500000113.1Q230 A231 S232 R237Q230-A234 WeakPolarHBondContact O-CB 3.38Å; Q230-A234 PolarHBondContact O-N 3.5Å; Q230-A234 VanDerWaalsContact O-N 3.07Å; A231-A234 PolarHBondContact O-N 3.47Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.37Å; A234-R237 PolarHBondContact O-NE 2.97Å
235D87.9Confident90.5Very high65 Ų6550.5 Ų50.535%0.34826%0.255SS..Hα-helixtrans-71.7-38.3176.1-175.362.6000112.4A231 S232 V233 R237 R238 K239A231-D235 PolarHBondContact O-N 3.45Å; S232-D235 PolarHBondContact O-N 3.3Å; V233-D235 VanDerWaalsContact C-N 3.34Å; V233-D235 PolarHBondContact O-N 3.23Å; D235-R237 PolarHBondContact O-N 3.28Å; D235-R237 VanDerWaalsContact O-N 3.15Å; D235-R238 PolarHBondContact O-N 3.33Å; D235-K239 WeakPolarHBondContact OD2-CE 3.31Å; D235-K239 IonicContact OD2-NZ 3.84Å; D235-K239 PolarHBondContact OD2-NZ 3.07Å
236R86.9Confident90.6Very high7 Ų751.3 Ų51.33%0.02626%0.259CS..Hα-helixtrans-49.1-40.6177-178.6-163176.5-156.2-6.7113.1T29 S232 V233 R238 K239 F243 G286 G289 I290 N291T29-R236 PolarHBondContact O-NH2 2.82Å; S232-R236 PolarHBondContact O-N 3.45Å; V233-R236 WeakPolarHBondContact O-CB 3.42Å; V233-R236 PolarHBondContact O-N 2.89Å; R236-R238 PolarHBondContact O-N 3.03Å; R236-K239 PolarHBondContact O-N 3.45Å; R236-F243 HydrophobicContact CB-CD1 4.28Å; R236-F243 HydrophobicContact CB-CD2 3.77Å; R236-F243 HydrophobicContact CB-CE1 4.28Å; R236-F243 HydrophobicContact CB-CE2 3.79Å; R236-F243 HydrophobicContact CB-CG 4.02Å; R236-F243 HydrophobicContact CB-CZ 4.03Å; R236-F243 VanDerWaalsContact CD-CB 3.42Å; R236-F243 VanDerWaalsContact CD-CG 3.42Å; R236-F243 HydrophobicContact CG-CB 3.72Å; R236-F243 HydrophobicContact CG-CD1 4.06Å; R236-F243 HydrophobicContact CG-CD2 3.54Å; R236-F243 HydrophobicContact CG-CE2 4.11Å; R236-F243 HydrophobicContact CG-CG 3.51Å; R236-G286 PolarHBondContact NH1-O 3.49Å; R236-G289 WeakPolarHBondContact CD-O 3.24Å; R236-G289 PolarHBondContact NH1-O 2.76Å; R236-I290 PolarHBondContact NH1-O 3.49Å; R236-N291 VanDerWaalsContact CZ-CB 3.48Å
237R71.1Confident90.5Very high137 Ų13750.1 Ų50.152%0.51725%0.253SS..THydrogen-bonded Turntrans-52.6-11.6-176.5-51.8-166.6-84.1-168.1-12.3114.8V233 A234 D235 S288V233-R237 WeakPolarHBondContact O-CG 3.37Å; A234-R237 PolarHBondContact O-NE 2.97Å; D235-R237 PolarHBondContact O-N 3.28Å; D235-R237 VanDerWaalsContact O-N 3.15Å; R237-S288 WeakPolarHBondContact CD-O 3.37Å
238R70.1Confident90.2Very high209 Ų20944.4 Ų44.479%0.78923%0.227SC*.THydrogen-bonded Turntrans-102.70-179.8-58.5176.7-179.6155.7-2113.6D235 R236D235-R238 PolarHBondContact O-N 3.33Å; R236-R238 PolarHBondContact O-N 3.03Å
239K71.3Confident89.8Confident101 Ų10141.6 Ų41.644%0.43922%0.215SC..  trans-123.8125.9-169.1-62-179-176.5163.50110.5D235 R236 T241D235-K239 WeakPolarHBondContact OD2-CE 3.31Å; D235-K239 IonicContact OD2-NZ 3.84Å; D235-K239 PolarHBondContact OD2-NZ 3.07Å; R236-K239 PolarHBondContact O-N 3.45Å; K239-T241 PolarHBondContact O-N 3.32Å
240G81.9Confident89Confident47 Ų4742.8 Ų42.849%0.48522%0.222SC..  trans-81.648178.100000113.9Q177Q177-G240 PolarHBondContact NE2-O 3.02Å
241T92.6Very high88Confident26 Ų2639.1 Ų39.116%0.1621%0.208CC..SBendtrans-125.9170.3-176.462.30000110.9M211 P213 K239M211-T241 WeakPolarHBondContact O-CB 3.33Å; P213-T241 WeakPolarHBondContact CD-OG1 3.43Å; P213-T241 WeakPolarHBondContact CG-OG1 3.26Å; K239-T241 PolarHBondContact O-N 3.32Å
242F96.3Very high86.8Confident0 Ų042.1 Ų42.10%021%0.209CC..  trans-61.8169.7158.1-66-83.6000109.8L28 T29 F141 A176 L192 F194 W207 M211 M212 P213L28-F242 HydrophobicContact CB-CE1 3.78Å; L28-F242 HydrophobicContact CB-CZ 4.34Å; T29-F242 HydrophobicContact CG2-CD1 3.78Å; T29-F242 HydrophobicContact CG2-CD2 4.42Å; T29-F242 HydrophobicContact CG2-CE1 3.82Å; T29-F242 HydrophobicContact CG2-CE2 4.48Å; T29-F242 HydrophobicContact CG2-CG 4.08Å; T29-F242 HydrophobicContact CG2-CZ 4.19Å; F141-F242 AromaticContact CE1-CD1 3.86Å; F141-F242 HydrophobicContact CE1-CD1 3.86Å; F141-F242 AromaticContact CE1-CE1 3.49Å; F141-F242 HydrophobicContact CE1-CE1 3.49Å; F141-F242 VanDerWaalsContact CE1-CE1 3.49Å; F141-F242 AromaticContact CE1-CZ 3.93Å; F141-F242 HydrophobicContact CE1-CZ 3.93Å; F141-F242 HydrophobicContact CZ-CE1 4.1Å; A176-F242 HydrophobicContact CB-CD2 4.14Å; A176-F242 HydrophobicContact CB-CE2 3.88Å; A176-F242 HydrophobicContact CB-CZ 4.5Å; L192-F242 HydrophobicContact CD2-CE2 4.08Å; L192-F242 HydrophobicContact CD2-CZ 3.86Å; F194-F242 AromaticContact CE1-CD2 3.72Å; F194-F242 HydrophobicContact CE1-CD2 3.72Å; F194-F242 HydrophobicContact CE1-CE2 4.22Å; F194-F242 AromaticContact CZ-CD2 3.46Å; F194-F242 HydrophobicContact CZ-CD2 3.46Å; F194-F242 VanDerWaalsContact CZ-CD2 3.46Å; F194-F242 AromaticContact CZ-CE2 3.69Å; F194-F242 HydrophobicContact CZ-CE2 3.69Å; F194-F242 HydrophobicContact CZ-CG 4.16Å; W207-F242 HydrophobicContact CE3-CE2 4.29Å; W207-F242 HydrophobicContact CH2-CE2 4.45Å; W207-F242 AromaticContact CZ3-CE2 3.9Å; W207-F242 HydrophobicContact CZ3-CE2 3.9Å; M211-F242 WeakPolarHBondContact O-CB 3.31Å; M211-F242 PolarHBondContact O-N 2.99Å; M212-F242 HydrophobicContact CE-CB 3.47Å; M212-F242 VanDerWaalsContact CE-CB 3.47Å; M212-F242 HydrophobicContact CE-CD1 4.43Å; M212-F242 HydrophobicContact CE-CD2 4.26Å; M212-F242 HydrophobicContact CE-CG 3.81Å; M212-F242 HydrophobicContact SD-CB 3.58Å; M212-F242 VanDerWaalsContact SD-CB 3.58Å; P213-F242 WeakPolarHBondContact CD-O 3.29Å; P213-F242 WeakPolarHBondContact CG-O 3.45Å
243F96.4Very high85.3Confident3 Ų344.8 Ų44.81%0.01323%0.232CC..  trans-156.4133.9179.1-169.8-94.1000112.1P213 P215 S232 R236 N291 I292P213-F243 HydrophobicContact CB-CD2 4.27Å; P213-F243 HydrophobicContact CG-CD2 3.79Å; P215-F243 HydrophobicContact CG-CE2 4.07Å; P215-F243 HydrophobicContact CG-CZ 3.7Å; S232-F243 WeakPolarHBondContact O-CZ 3.45Å; R236-F243 HydrophobicContact CB-CD1 4.28Å; R236-F243 HydrophobicContact CB-CD2 3.77Å; R236-F243 HydrophobicContact CB-CE1 4.28Å; R236-F243 HydrophobicContact CB-CE2 3.79Å; R236-F243 HydrophobicContact CB-CG 4.02Å; R236-F243 HydrophobicContact CB-CZ 4.03Å; R236-F243 VanDerWaalsContact CD-CB 3.42Å; R236-F243 VanDerWaalsContact CD-CG 3.42Å; R236-F243 HydrophobicContact CG-CB 3.72Å; R236-F243 HydrophobicContact CG-CD1 4.06Å; R236-F243 HydrophobicContact CG-CD2 3.54Å; R236-F243 HydrophobicContact CG-CE2 4.11Å; R236-F243 HydrophobicContact CG-CG 3.51Å; F243-N291 PolarHBondContact N-OD1 3.08Å; F243-I292 PolarHBondContact O-N 3.39Å
244V97.5Very high83.5Confident2 Ų247 Ų471%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-109121.8179-172.90000110.2F94 M212 P213 A214 Q246 I292 T294F94-V244 HydrophobicContact CE1-CG1 4.4Å; F94-V244 HydrophobicContact CE1-CG2 4.3Å; F94-V244 HydrophobicContact CE2-CG2 3.9Å; F94-V244 HydrophobicContact CZ-CG2 3.7Å; M212-V244 HydrophobicContact CG-CG2 3.87Å; M212-V244 HydrophobicContact SD-CG2 3.43Å; M212-V244 WeakPolarHBondContact SD-CG2 3.43Å; P213-V244 PolarHBondContact O-N 3.05Å; A214-V244 HydrophobicContact CB-CB 3.73Å; A214-V244 HydrophobicContact CB-CG1 4.31Å; A214-V244 HydrophobicContact CB-CG2 4.09Å; V244-Q246 HydrophobicContact CG1-CG 4.05Å; V244-I292 WeakPolarHBondContact CA-O 3.15Å; V244-I292 HydrophobicContact CG1-CG2 4.12Å; V244-I292 HydrophobicContact CG2-CB 4.19Å; V244-I292 HydrophobicContact CG2-CD1 4.36Å; V244-I292 HydrophobicContact CG2-CG2 4.16Å; V244-T294 HydrophobicContact CG1-CG2 3.62Å
245S97.7Very high82Confident2 Ų247.1 Ų47.11%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-93.4105.7167.2-63.30000109.3V247 I292 I293 T294S245-V247 PolarHBondContact O-N 3.27Å; S245-I292 PolarHBondContact N-O 2.84Å; S245-I293 WeakPolarHBondContact O-CA 3.35Å; S245-T294 PolarHBondContact O-N 3.29Å
246Q96.8Very high80.6Confident18 Ų1846.3 Ų46.38%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-84.497.7-178.7-55.9-167.151.900111.3A214 V244 V248 T294A214-Q246 PolarHBondContact O-NE2 2.99Å; V244-Q246 HydrophobicContact CG1-CG 4.05Å; Q246-V248 HydrophobicContact CB-CG2 3.99Å; Q246-V248 PolarHBondContact O-N 2.93Å; Q246-T294 WeakPolarHBondContact CA-OG1 3.06Å
247V95.5Very high79.2Confident3 Ų352.7 Ų52.72%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-86.362.2178.5-167.70000109.1L225 L229 S245 M276 W279 I280 I293 T294L225-V247 HydrophobicContact CD2-CG1 4.48Å; L229-V247 HydrophobicContact CD1-CG1 4.39Å; L229-V247 HydrophobicContact CD1-CG2 4.01Å; L229-V247 HydrophobicContact CD2-CG2 4.45Å; S245-V247 PolarHBondContact O-N 3.27Å; V247-M276 HydrophobicContact CG1-CB 3.66Å; V247-M276 HydrophobicContact CG1-CG 3.73Å; V247-M276 HydrophobicContact CG1-SD 3.87Å; V247-W279 HydrophobicContact CG2-CE3 3.98Å; V247-W279 HydrophobicContact CG2-CZ3 3.62Å; V247-I280 HydrophobicContact CG1-CD1 4.34Å; V247-I280 HydrophobicContact CG2-CG1 4.37Å; V247-I293 HydrophobicContact CB-CG2 4.46Å; V247-I293 HydrophobicContact CG2-CG2 3.53Å; V247-T294 WeakPolarHBondContact CA-O 3.46Å; V247-T294 WeakPolarHBondContact CB-O 3.36Å; V247-T294 PolarHBondContact N-O 3.22Å
248V91.1Very high78.6Confident5 Ų555 Ų553%0.0329%0.289CS..  trans-131.1149.4-174.8-57.80000110.8H37 Q246H37-V248 HydrophobicContact CB-CG1 3.75Å; Q246-V248 HydrophobicContact CB-CG2 3.99Å; Q246-V248 PolarHBondContact O-N 2.93Å
249L86.9Confident78Confident8 Ų845.4 Ų45.44%0.04226%0.255CS..  trans-113.9133.8175.8-71.5174.7000109.7T219 P222 L225 P251 I268 A272T219-L249 HydrophobicContact CG2-CD2 4.17Å; T219-L249 CarbonylContact O-C 3.52Å; T219-L249 WeakPolarHBondContact O-CA 3.36Å; T219-L249 WeakPolarHBondContact O-CD2 3.48Å; P222-L249 HydrophobicContact CG-CD1 4.09Å; L225-L249 HydrophobicContact CB-CD2 3.89Å; L225-L249 HydrophobicContact CD2-CD2 3.74Å; L225-L249 HydrophobicContact CD2-CG 3.99Å; L225-L249 HydrophobicContact CG-CD2 4.39Å; L249-P251 WeakPolarHBondContact O-CD 3.46Å; L249-I268 HydrophobicContact CB-CG2 3.35Å; L249-I268 HydrophobicContact CD1-CG2 3.57Å; L249-I268 HydrophobicContact CG-CG2 4.11Å; L249-A272 HydrophobicContact CD1-CB 3.4Å; L249-A272 VanDerWaalsContact CD1-CB 3.4Å
250T80.7Confident77.4Confident27 Ų2744.7 Ų44.717%0.16626%0.259CS..  trans-99.5111.3-175.3-54.50000110.4W216 T219 T220 K252W216-T250 VanDerWaalsContact CE2-OG1 3.25Å; W216-T250 HydrophobicContact CH2-CG2 4.09Å; W216-T250 HydrophobicContact CZ2-CG2 3.44Å; W216-T250 VanDerWaalsContact CZ2-CG2 3.44Å; W216-T250 WeakPolarHBondContact CZ2-OG1 3.2Å; W216-T250 PolarHBondContact NE1-OG1 3.03Å; T219-T250 PolarHBondContact O-N 3.32Å; T220-T250 WeakPolarHBondContact CG2-O 3.35Å; T250-K252 PolarHBondContact O-N 2.84Å
251P73.3Confident76.3Confident34 Ų3446.9 Ų46.922%0.22127%0.272CS..  trans-60.7137.8175.524.7-33.3000111.3W76 L249 V256 L264 I268W76-P251 HydrophobicContact CE3-CB 4.06Å; W76-P251 HydrophobicContact CE3-CG 4.31Å; W76-P251 HydrophobicContact CZ3-CB 3.92Å; L249-P251 WeakPolarHBondContact O-CD 3.46Å; P251-V256 HydrophobicContact CB-CG2 4.17Å; P251-L264 HydrophobicContact CG-CD1 3.95Å; P251-I268 HydrophobicContact CB-CD1 3.62Å; P251-I268 HydrophobicContact CG-CD1 4.39Å
252K70.4Confident74.8Confident125 Ų12547.4 Ų47.454%0.54328%0.277SS..  trans-80.3153.5165.6-65.6-179.7178.61790109.7T220 T250 S254 T255 V256T220-K252 HydrophobicContact CG2-CG 4.35Å; T250-K252 PolarHBondContact O-N 2.84Å; K252-S254 PolarHBondContact O-N 3.24Å; K252-S254 VanDerWaalsContact O-N 3.09Å; K252-T255 WeakPolarHBondContact O-CA 3.36Å; K252-T255 VanDerWaalsContact O-CB 3.22Å; K252-T255 WeakPolarHBondContact O-CB 3.11Å; K252-T255 PolarHBondContact O-N 3.32Å; K252-V256 PolarHBondContact O-N 2.79Å; K252-V256 VanDerWaalsContact O-N 3.17Å
253A62.2Low73.4Confident72 Ų7247.5 Ų47.560%0.59528%0.278SS*.Hα-helixtrans-52.2-36.4175.100000113T255 V256 M257A253-T255 VanDerWaalsContact C-N 3.29Å; A253-T255 PolarHBondContact O-N 3.12Å; A253-V256 PolarHBondContact O-N 2.96Å; A253-M257 WeakPolarHBondContact O-CG 3.44Å; A253-M257 PolarHBondContact O-N 3.5Å; A253-M257 VanDerWaalsContact O-N 3.08Å
254S56Low72.3Confident60 Ų6047.6 Ų47.642%0.4228%0.278SS..Hα-helixtrans-67.8-24.1174.858.20000114.4K252 K258K252-S254 PolarHBondContact O-N 3.24Å; K252-S254 VanDerWaalsContact O-N 3.09Å; S254-K258 WeakPolarHBondContact O-CG 3.22Å; S254-K258 PolarHBondContact O-N 2.85Å
255T59Low71.2Confident38 Ų3850.4 Ų50.423%0.23329%0.289CS..Hα-helixtrans-77-43.2175-51.70000110.1W76 K252 A253 M257 K258 G259 I268W76-T255 HydrophobicContact CH2-CG2 4.19Å; W76-T255 HydrophobicContact CZ3-CG2 4.34Å; K252-T255 WeakPolarHBondContact O-CA 3.36Å; K252-T255 VanDerWaalsContact O-CB 3.22Å; K252-T255 WeakPolarHBondContact O-CB 3.11Å; K252-T255 PolarHBondContact O-N 3.32Å; A253-T255 VanDerWaalsContact C-N 3.29Å; A253-T255 PolarHBondContact O-N 3.12Å; T255-M257 VanDerWaalsContact C-N 3.34Å; T255-M257 PolarHBondContact O-N 3.44Å; T255-K258 PolarHBondContact O-N 3.36Å; T255-K258 VanDerWaalsContact O-N 3.14Å; T255-G259 PolarHBondContact O-N 3.24Å; T255-I268 HydrophobicContact CG2-CD1 4.15Å
256V59.7Low70Confident49 Ų4954.5 Ų54.530%0.29731%0.308SS..Hα-helixtrans-57.1-46.7173.8179.80000110.9W76 P251 K252 A253 K258 G259W76-V256 HydrophobicContact CB-CG1 4.38Å; W76-V256 HydrophobicContact CD2-CB 4.25Å; W76-V256 HydrophobicContact CD2-CG1 4.06Å; W76-V256 HydrophobicContact CD2-CG2 3.96Å; W76-V256 HydrophobicContact CE3-CB 4.47Å; W76-V256 HydrophobicContact CE3-CG2 3.8Å; W76-V256 HydrophobicContact CG-CG1 3.86Å; W76-V256 HydrophobicContact CG-CG2 4.31Å; W76-V256 HydrophobicContact CZ3-CG2 4.31Å; P251-V256 HydrophobicContact CB-CG2 4.17Å; K252-V256 PolarHBondContact O-N 2.79Å; K252-V256 VanDerWaalsContact O-N 3.17Å; A253-V256 PolarHBondContact O-N 2.96Å; V256-K258 VanDerWaalsContact C-N 3.27Å; V256-K258 PolarHBondContact O-N 2.84Å; V256-G259 PolarHBondContact O-N 3.01Å
257M56.5Low68.8Low141 Ų14154.7 Ų54.770%0.69531%0.31SS*.Hα-helixtrans-66-23.1179-70.3-167-62.800114.4A253 T255 V260A253-M257 WeakPolarHBondContact O-CG 3.44Å; A253-M257 PolarHBondContact O-N 3.5Å; A253-M257 VanDerWaalsContact O-N 3.08Å; T255-M257 VanDerWaalsContact C-N 3.34Å; T255-M257 PolarHBondContact O-N 3.44Å; M257-V260 WeakPolarHBondContact O-CG2 3.44Å
258K58.6Low67.9Low185 Ų18555.2 Ų55.280%0.80431%0.313SS*.Hα-helixtrans-88.8-25.2179.5-75.7178.5-179.7-1770113.2S254 T255 V256 V260S254-K258 WeakPolarHBondContact O-CG 3.22Å; S254-K258 PolarHBondContact O-N 2.85Å; T255-K258 PolarHBondContact O-N 3.36Å; T255-K258 VanDerWaalsContact O-N 3.14Å; V256-K258 VanDerWaalsContact C-N 3.27Å; V256-K258 PolarHBondContact O-N 2.84Å; K258-V260 PolarHBondContact O-N 3.18Å
259G57.3Low67.2Low8 Ų855.3 Ų55.38%0.08231%0.313CS..  trans-99.247.4-178.900000113.3T255 V256 A261 S262T255-G259 PolarHBondContact O-N 3.24Å; V256-G259 PolarHBondContact O-N 3.01Å; G259-A261 PolarHBondContact O-N 3.14Å; G259-S262 PolarHBondContact O-N 3.12Å; G259-S262 VanDerWaalsContact O-N 3.11Å
260V57.9Low67.1Low85 Ų8558.7 Ų58.752%0.51533%0.329SS..THydrogen-bonded Turntrans-63.8-13.3-175.7-1640000113L72 M257 K258L72-V260 HydrophobicContact CD1-CG1 3.74Å; L72-V260 HydrophobicContact CD2-CG1 4.15Å; L72-V260 WeakPolarHBondContact CD2-O 3.46Å; M257-V260 WeakPolarHBondContact O-CG2 3.44Å; K258-V260 PolarHBondContact O-N 3.18Å
261A59.7Low67.2Low94 Ų9466.4 Ų66.478%0.77736%0.355SS*.THydrogen-bonded Turntrans-102-13.3176.300000114.7G259G259-A261 PolarHBondContact O-N 3.14Å
262S62.1Low67.9Low37 Ų3764.9 Ų64.926%0.25935%0.346SS..SBendtrans-128.5167.4-173.154.20000112.1W76 G259 T267W76-S262 PolarHBondContact NE1-O 2.93Å; W76-S262 VanDerWaalsContact NE1-O 3.14Å; G259-S262 PolarHBondContact O-N 3.12Å; G259-S262 VanDerWaalsContact O-N 3.11Å; S262-T267 VanDerWaalsContact CB-OG1 3.31Å; S262-T267 WeakPolarHBondContact CB-OG1 3.47Å; S262-T267 PolarHBondContact OG-OG1 3.11Å
263G66.1Low68.8Low1 Ų160.6 Ų60.61%0.0133%0.328CS..  trans-106.8-174.717900000114K75 R265 E266 T267K75-G263 CarbonylContact O-C 3.52Å; K75-G263 VanDerWaalsContact O-CA 3.31Å; K75-G263 WeakPolarHBondContact O-CA 3.37Å; G263-R265 VanDerWaalsContact C-N 3.28Å; G263-R265 PolarHBondContact O-N 3.13Å; G263-E266 VanDerWaalsContact CA-OE2 3.26Å; G263-E266 WeakPolarHBondContact CA-OE2 3.47Å; G263-E266 PolarHBondContact N-OE2 2.81Å; G263-T267 WeakPolarHBondContact O-CB 3.3Å; G263-T267 PolarHBondContact O-N 3.14Å; G263-T267 PolarHBondContact O-OG1 2.79Å
264L72.3Confident70.3Confident5 Ų561.5 Ų61.53%0.02633%0.328CS..Hα-helixtrans-55.2-47173.2176.262.2000110.7K75 W76 T79 P251 I268 T269 F297K75-L264 PolarHBondContact O-N 3.06Å; W76-L264 HydrophobicContact CE3-CB 4.36Å; T79-L264 HydrophobicContact CG2-CD2 4.22Å; P251-L264 HydrophobicContact CG-CD1 3.95Å; L264-I268 HydrophobicContact CD1-CB 4.1Å; L264-I268 HydrophobicContact CD1-CD1 3.91Å; L264-I268 HydrophobicContact CD1-CG1 4.32Å; L264-I268 WeakPolarHBondContact O-CB 3.38Å; L264-I268 PolarHBondContact O-N 3.25Å; L264-T269 PolarHBondContact O-N 2.97Å; L264-F297 HydrophobicContact CB-CE2 4.49Å; L264-F297 HydrophobicContact CD2-CE2 4.32Å; L264-F297 HydrophobicContact CG-CE2 4.21Å
265R75.3Confident72.1Confident62 Ų6261.1 Ų61.123%0.23433%0.326CS..Iπ-helixtrans-51.8-61.4179.7-175178.7174.5139.90.6112.5G263 T269 E270 F297 E299 L300G263-R265 VanDerWaalsContact C-N 3.28Å; G263-R265 PolarHBondContact O-N 3.13Å; R265-T269 PolarHBondContact O-N 3.37Å; R265-E270 HydrophobicContact CG-CG 4.15Å; R265-E270 IonicContact CZ-OE1 3.26Å; R265-E270 IonicContact NE-OE1 3.12Å; R265-E270 PolarHBondContact NE-OE1 3.13Å; R265-E270 WeakPolarHBondContact O-CG 3.49Å; R265-E270 PolarHBondContact O-N 3.35Å; R265-F297 VanDerWaalsContact CA-CE2 3.47Å; R265-F297 HydrophobicContact CB-CD2 3.99Å; R265-F297 HydrophobicContact CB-CE1 4.12Å; R265-F297 HydrophobicContact CB-CE2 3.54Å; R265-F297 HydrophobicContact CB-CG 4.47Å; R265-F297 HydrophobicContact CB-CZ 3.59Å; R265-F297 HydrophobicContact CG-CD1 4.45Å; R265-F297 HydrophobicContact CG-CD2 4.06Å; R265-F297 HydrophobicContact CG-CE1 4.49Å; R265-F297 HydrophobicContact CG-CE2 4.12Å; R265-F297 HydrophobicContact CG-CG 4.22Å; R265-F297 HydrophobicContact CG-CZ 4.33Å; R265-E299 IonicContact CZ-OE1 2.68Å; R265-E299 IonicContact NH1-OE1 2.77Å; R265-E299 PolarHBondContact NH1-OE1 2.85Å; R265-E299 IonicContact NH2-OE1 2.84Å; R265-L300 HydrophobicContact CG-CD1 4.31Å; R265-L300 VanDerWaalsContact NH2-CD2 3.34Å
266E73.1Confident73.7Confident87 Ų8759.9 Ų59.941%0.40732%0.317SS..Iπ-helixtrans-78.1-28.3-171.5-51.885177.100112G263G263-E266 VanDerWaalsContact CA-OE2 3.26Å; G263-E266 WeakPolarHBondContact CA-OE2 3.47Å; G263-E266 PolarHBondContact N-OE2 2.81Å
267T70.9Confident75.5Confident22 Ų2257.9 Ų57.914%0.13531%0.305CS..Iπ-helixtrans-85.8-31.3-173.7-46.40000112.5W76 S262 G263 R271W76-T267 HydrophobicContact CH2-CG2 3.88Å; S262-T267 VanDerWaalsContact CB-OG1 3.31Å; S262-T267 WeakPolarHBondContact CB-OG1 3.47Å; S262-T267 PolarHBondContact OG-OG1 3.11Å; G263-T267 WeakPolarHBondContact O-CB 3.3Å; G263-T267 PolarHBondContact O-N 3.14Å; G263-T267 PolarHBondContact O-OG1 2.79Å; T267-R271 WeakPolarHBondContact O-CD 3.25Å
268I76.8Confident77.4Confident14 Ų1457.2 Ų57.27%0.07230%0.303CS..Iπ-helixtrans-124.7-62.1-171-57.6-170.2000110.4W76 T220 L249 P251 T255 L264 R271 A272W76-I268 HydrophobicContact CZ3-CD1 4.09Å; W76-I268 HydrophobicContact CZ3-CG1 4.48Å; T220-I268 HydrophobicContact CG2-CD1 4.5Å; L249-I268 HydrophobicContact CB-CG2 3.35Å; L249-I268 HydrophobicContact CD1-CG2 3.57Å; L249-I268 HydrophobicContact CG-CG2 4.11Å; P251-I268 HydrophobicContact CB-CD1 3.62Å; P251-I268 HydrophobicContact CG-CD1 4.39Å; T255-I268 HydrophobicContact CG2-CD1 4.15Å; L264-I268 HydrophobicContact CD1-CB 4.1Å; L264-I268 HydrophobicContact CD1-CD1 3.91Å; L264-I268 HydrophobicContact CD1-CG1 4.32Å; L264-I268 WeakPolarHBondContact O-CB 3.38Å; L264-I268 PolarHBondContact O-N 3.25Å; I268-R271 PolarHBondContact O-N 3.3Å; I268-A272 PolarHBondContact O-N 3.07Å; I268-A272 VanDerWaalsContact O-N 3.08Å
269T77Confident79.2Confident8 Ų849 Ų495%0.04927%0.267CS..Iπ-helixtrans-63-53.3-169.1-47.80000111.9L264 R265 R271 A272 L273 M276 F297 L300L264-T269 PolarHBondContact O-N 2.97Å; R265-T269 PolarHBondContact O-N 3.37Å; T269-R271 PolarHBondContact O-N 3.2Å; T269-A272 PolarHBondContact O-N 3.28Å; T269-L273 WeakPolarHBondContact O-CB 3.34Å; T269-L273 PolarHBondContact O-N 3.2Å; T269-M276 HydrophobicContact CG2-CE 4.04Å; T269-M276 WeakPolarHBondContact O-CE 3.27Å; T269-F297 HydrophobicContact CG2-CD2 4.06Å; T269-L300 HydrophobicContact CG2-CD1 4.14Å
270E83.4Confident81.1Confident79 Ų7948.7 Ų48.737%0.36926%0.264SS..Hα-helixtrans-63.1-30.5-177.7-73178.4174.900112.7R265 L300R265-E270 HydrophobicContact CG-CG 4.15Å; R265-E270 IonicContact CZ-OE1 3.26Å; R265-E270 IonicContact NE-OE1 3.12Å; R265-E270 PolarHBondContact NE-OE1 3.13Å; R265-E270 WeakPolarHBondContact O-CG 3.49Å; R265-E270 PolarHBondContact O-N 3.35Å; E270-L300 HydrophobicContact CG-CD1 3.9Å
271R83.8Confident83Confident188 Ų18851 Ų5171%0.70926%0.263SS*.Hα-helixtrans-74.2-37.3177.9-65.6-170.9-177.9174.2-4.4112.7T267 I268 T269T267-R271 WeakPolarHBondContact O-CD 3.25Å; I268-R271 PolarHBondContact O-N 3.3Å; T269-R271 PolarHBondContact O-N 3.2Å
272A87.7Confident84.7Confident3 Ų350.1 Ų50.13%0.02526%0.256CS..Hα-helixtrans-85.3-14178.700000112.9P222 L249 I268 T269 P274 S275 M276P222-A272 HydrophobicContact CB-CB 4.3Å; P222-A272 HydrophobicContact CG-CB 3.83Å; L249-A272 HydrophobicContact CD1-CB 3.4Å; L249-A272 VanDerWaalsContact CD1-CB 3.4Å; I268-A272 PolarHBondContact O-N 3.07Å; I268-A272 VanDerWaalsContact O-N 3.08Å; T269-A272 PolarHBondContact O-N 3.28Å; A272-P274 VanDerWaalsContact C-CD 3.46Å; A272-S275 PolarHBondContact O-N 3.02Å; A272-M276 HydrophobicContact CB-CE 3.92Å; A272-M276 HydrophobicContact CB-CG 4.32Å; A272-M276 HydrophobicContact CB-SD 4.12Å; A272-M276 WeakPolarHBondContact O-CG 3.5Å; A272-M276 PolarHBondContact O-N 2.71Å
273L90Very high86.3Confident35 Ų3549.9 Ų49.918%0.18325%0.251CS..Hα-helixtrans-50.9-43.8-172.6-174.166.4000113.6T269 S275 M276 M277 L300T269-L273 WeakPolarHBondContact O-CB 3.34Å; T269-L273 PolarHBondContact O-N 3.2Å; L273-S275 PolarHBondContact O-N 3.12Å; L273-M276 HydrophobicContact CB-CE 4.41Å; L273-M276 HydrophobicContact CD1-CE 4.41Å; L273-M276 PolarHBondContact O-N 2.91Å; L273-M277 HydrophobicContact CD1-CG 3.83Å; L273-M277 HydrophobicContact CD1-SD 4.32Å; L273-M277 HydrophobicContact CG-CG 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.44Å; L273-M277 WeakPolarHBondContact O-CG 3.5Å; L273-M277 PolarHBondContact O-N 3.35Å; L273-L300 HydrophobicContact CD1-CB 4.18Å; L273-L300 HydrophobicContact CD2-CB 4.02Å
274P93.1Very high87.6Confident90 Ų9055.9 Ų55.958%0.58427%0.273SS*.Hα-helixtrans-59.1-45.5177.9-25.336.1000113.3A272 L278A272-P274 VanDerWaalsContact C-CD 3.46Å; P274-L278 WeakPolarHBondContact O-CB 3.27Å; P274-L278 PolarHBondContact O-N 3.22Å
275S93.3Very high88.6Confident53 Ų5356.2 Ų56.237%0.37128%0.275SS..Hα-helixtrans-68.8-40179.6-57.80000111.9A272 L273 L278 W279A272-S275 PolarHBondContact O-N 3.02Å; L273-S275 PolarHBondContact O-N 3.12Å; S275-L278 PolarHBondContact O-N 3.49Å; S275-W279 PolarHBondContact O-N 3.23Å
276M94Very high89.3Confident11 Ų1153.8 Ų53.85%0.05427%0.27CS..Hα-helixtrans-63.4-47.2176.4-67.5-172.8-55.300111.3L225 V247 T269 A272 L273 L278 W279 I280L225-M276 HydrophobicContact CD2-CG 4.34Å; L225-M276 HydrophobicContact CD2-SD 4.15Å; V247-M276 HydrophobicContact CG1-CB 3.66Å; V247-M276 HydrophobicContact CG1-CG 3.73Å; V247-M276 HydrophobicContact CG1-SD 3.87Å; T269-M276 HydrophobicContact CG2-CE 4.04Å; T269-M276 WeakPolarHBondContact O-CE 3.27Å; A272-M276 HydrophobicContact CB-CE 3.92Å; A272-M276 HydrophobicContact CB-CG 4.32Å; A272-M276 HydrophobicContact CB-SD 4.12Å; A272-M276 WeakPolarHBondContact O-CG 3.5Å; A272-M276 PolarHBondContact O-N 2.71Å; L273-M276 HydrophobicContact CB-CE 4.41Å; L273-M276 HydrophobicContact CD1-CE 4.41Å; L273-M276 PolarHBondContact O-N 2.91Å; M276-L278 PolarHBondContact O-N 3.4Å; M276-W279 PolarHBondContact O-N 3.02Å; M276-I280 WeakPolarHBondContact O-CG1 3.12Å; M276-I280 PolarHBondContact O-N 2.66Å
277M96.6Very high89.8Confident7 Ų756.7 Ų56.73%0.03428%0.284CS..Hα-helixtrans-66.4-35.5177.6-71.4-50.9-59.500112.8L273 W279 I280 R281 G301 F303 A306L273-M277 HydrophobicContact CD1-CG 3.83Å; L273-M277 HydrophobicContact CD1-SD 4.32Å; L273-M277 HydrophobicContact CG-CG 4.13Å; L273-M277 WeakPolarHBondContact O-CB 3.44Å; L273-M277 WeakPolarHBondContact O-CG 3.5Å; L273-M277 PolarHBondContact O-N 3.35Å; M277-W279 VanDerWaalsContact C-N 3.32Å; M277-I280 PolarHBondContact O-N 2.99Å; M277-I280 HydrophobicContact SD-CD1 3.92Å; M277-R281 WeakPolarHBondContact O-CB 3.39Å; M277-R281 WeakPolarHBondContact O-CG 3.29Å; M277-R281 PolarHBondContact O-N 3.37Å; M277-G301 WeakPolarHBondContact CE-O 3.13Å; M277-F303 HydrophobicContact SD-CB 4.27Å; M277-A306 HydrophobicContact CE-CB 3.48Å; M277-A306 VanDerWaalsContact CE-CB 3.48Å
278L96.3Very high90.5Very high128 Ų12859.3 Ų59.367%0.6730%0.303SS*.Hα-helixtrans-61.1-43.5173.3-177.966000111P274 S275 M276 A282P274-L278 WeakPolarHBondContact O-CB 3.27Å; P274-L278 PolarHBondContact O-N 3.22Å; S275-L278 PolarHBondContact O-N 3.49Å; M276-L278 PolarHBondContact O-N 3.4Å; L278-A282 WeakPolarHBondContact O-CB 3.31Å; L278-A282 PolarHBondContact O-N 2.95Å
279W97Very high91.3Very high11 Ų1159.1 Ų59.14%0.04230%0.304CS..Hα-helixtrans-63.8-48.6176.1-179.784.9000111.7I226 L229 V233 V247 S275 M276 M277 R281 A282 Q283 I290 I293I226-W279 HydrophobicContact CD1-CB 3.51Å; I226-W279 HydrophobicContact CD1-CD2 4.43Å; I226-W279 HydrophobicContact CD1-CG 3.7Å; I226-W279 HydrophobicContact CG1-CB 4.47Å; I226-W279 HydrophobicContact CG2-CG 4.45Å; L229-W279 HydrophobicContact CB-CH2 4.12Å; L229-W279 HydrophobicContact CB-CZ2 3.58Å; L229-W279 HydrophobicContact CD1-CD2 4.02Å; L229-W279 HydrophobicContact CD1-CE3 3.99Å; L229-W279 HydrophobicContact CD1-CH2 4.25Å; L229-W279 HydrophobicContact CD1-CZ2 4.27Å; L229-W279 HydrophobicContact CD1-CZ3 4.11Å; L229-W279 HydrophobicContact CD2-CH2 4.33Å; L229-W279 HydrophobicContact CG-CH2 4.48Å; L229-W279 HydrophobicContact CG-CZ2 4.38Å; V233-W279 HydrophobicContact CG2-CZ2 4.24Å; V247-W279 HydrophobicContact CG2-CE3 3.98Å; V247-W279 HydrophobicContact CG2-CZ3 3.62Å; S275-W279 PolarHBondContact O-N 3.23Å; M276-W279 PolarHBondContact O-N 3.02Å; M277-W279 VanDerWaalsContact C-N 3.32Å; W279-R281 PolarHBondContact O-N 2.98Å; W279-A282 PolarHBondContact O-N 3.08Å; W279-A282 VanDerWaalsContact O-N 3.11Å; W279-Q283 HydrophobicContact CD2-CG 4.19Å; W279-Q283 HydrophobicContact CE3-CG 4.14Å; W279-Q283 HydrophobicContact CH2-CG 3.9Å; W279-Q283 HydrophobicContact CZ2-CG 3.95Å; W279-Q283 HydrophobicContact CZ3-CG 4Å; W279-Q283 WeakPolarHBondContact O-CG 2.98Å; W279-Q283 PolarHBondContact O-N 3.14Å; W279-Q283 PolarHBondContact O-NE2 3.32Å; W279-I290 HydrophobicContact CH2-CG2 3.98Å; W279-I290 HydrophobicContact CZ2-CG2 4.46Å; W279-I293 HydrophobicContact CZ3-CD1 4.39Å
280I97.4Very high92.1Very high2 Ų258.8 Ų58.81%0.0130%0.302CS..Hα-helixtrans-56-50.4-179.6-68.5164.9000110.9V247 M276 M277 A282 Q283 I293 F303 A306 V307V247-I280 HydrophobicContact CG1-CD1 4.34Å; V247-I280 HydrophobicContact CG2-CG1 4.37Å; M276-I280 WeakPolarHBondContact O-CG1 3.12Å; M276-I280 PolarHBondContact O-N 2.66Å; M277-I280 PolarHBondContact O-N 2.99Å; M277-I280 HydrophobicContact SD-CD1 3.92Å; I280-A282 PolarHBondContact O-N 3.5Å; I280-Q283 WeakPolarHBondContact O-CB 3.39Å; I280-Q283 PolarHBondContact O-N 3.1Å; I280-I293 HydrophobicContact CD1-CG2 4.48Å; I280-I293 HydrophobicContact CG1-CG2 4.35Å; I280-I293 HydrophobicContact CG2-CD1 4.35Å; I280-F303 HydrophobicContact CD1-CD2 3.61Å; I280-F303 HydrophobicContact CD1-CE2 3.78Å; I280-A306 HydrophobicContact CG2-CB 4.35Å; I280-V307 HydrophobicContact CG2-CG2 3.89Å
281R96.7Very high92.7Very high134 Ų13455 Ų5551%0.50628%0.284SS..Hα-helixtrans-66.2-18.3-178.3-70.5-179.6179123.83.3113.7M277 W279 G301 A306M277-R281 WeakPolarHBondContact O-CB 3.39Å; M277-R281 WeakPolarHBondContact O-CG 3.29Å; M277-R281 PolarHBondContact O-N 3.37Å; W279-R281 PolarHBondContact O-N 2.98Å; R281-G301 PolarHBondContact NH2-O 3.43Å; R281-A306 HydrophobicContact CG-CB 4.35Å
282A95.7Very high93.4Very high75 Ų7546 Ų4662%0.6225%0.251SS*.THydrogen-bonded Turntrans-89-2.8176.400000113.4L278 W279 I280L278-A282 WeakPolarHBondContact O-CB 3.31Å; L278-A282 PolarHBondContact O-N 2.95Å; W279-A282 PolarHBondContact O-N 3.08Å; W279-A282 VanDerWaalsContact O-N 3.11Å; I280-A282 PolarHBondContact O-N 3.5Å
283Q95.5Very high93.9Very high33 Ų3345.9 Ų45.915%0.15425%0.249CC..  trans-82.9161.2-178.8-57.9-46.5-64.500112W279 I280 I290 L310W279-Q283 HydrophobicContact CD2-CG 4.19Å; W279-Q283 HydrophobicContact CE3-CG 4.14Å; W279-Q283 HydrophobicContact CH2-CG 3.9Å; W279-Q283 HydrophobicContact CZ2-CG 3.95Å; W279-Q283 HydrophobicContact CZ3-CG 4Å; W279-Q283 WeakPolarHBondContact O-CG 2.98Å; W279-Q283 PolarHBondContact O-N 3.14Å; W279-Q283 PolarHBondContact O-NE2 3.32Å; I280-Q283 WeakPolarHBondContact O-CB 3.39Å; I280-Q283 PolarHBondContact O-N 3.1Å; Q283-I290 HydrophobicContact CB-CB 4.49Å; Q283-I290 HydrophobicContact CB-CG1 3.7Å; Q283-I290 HydrophobicContact CB-CG2 3.93Å; Q283-I290 HydrophobicContact CG-CG1 4.4Å; Q283-I290 HydrophobicContact CG-CG2 3.81Å; Q283-L310 HydrophobicContact CB-CD1 4.09Å; Q283-L310 WeakPolarHBondContact O-CD2 3.36Å
284R93.9Very high94.3Very high126 Ų12644.3 Ų44.348%0.47524%0.241SC..  trans-127.4139.6164.9-67.4-163.7-180-8618.1109.5G289 I290 H313 E317R284-G289 CarbonylContact O-C 3.6Å; R284-G289 WeakPolarHBondContact O-CA 3.36Å; R284-I290 PolarHBondContact O-N 3.37Å; R284-H313 PolarHBondContact NH1-O 3.47Å; R284-H313 VanDerWaalsContact NH1-O 3.13Å; R284-E317 IonicContact CZ-OE1 3.32Å; R284-E317 VanDerWaalsContact CZ-OE1 3.27Å; R284-E317 IonicContact NE-OE1 3.65Å; R284-E317 IonicContact NH2-OE1 3.18Å; R284-E317 PolarHBondContact NH2-OE1 3.11Å
285P93.9Very high94.4Very high12 Ų1240.5 Ų40.58%0.07822%0.217CC..BIsolated β-bridgetrans-74.8174.3170.633.2-30.6000110.3N30 A32 I290 L310 M314N30-P285 WeakPolarHBondContact O-CB 3.45Å; A32-P285 HydrophobicContact CB-CB 3.98Å; A32-P285 HydrophobicContact CB-CG 4.23Å; P285-I290 WeakPolarHBondContact CA-O 2.97Å; P285-I290 HydrophobicContact CB-CD1 3.91Å; P285-L310 WeakPolarHBondContact CD-O 3.36Å; P285-L310 HydrophobicContact CG-CB 4.49Å; P285-L310 WeakPolarHBondContact CG-O 3.45Å; P285-M314 HydrophobicContact CG-CE 4.14Å; P285-M314 HydrophobicContact CG-CG 4.06Å; P285-M314 HydrophobicContact CG-SD 3.87Å
286G89.4Confident94.3Very high12 Ų1238.4 Ų38.412%0.12420%0.202CC..SBendtrans120.7177.8-17900000113.7N30 R236 S288 G289N30-G286 PolarHBondContact O-N 3.03Å; N30-G286 VanDerWaalsContact O-N 3.15Å; R236-G286 PolarHBondContact NH1-O 3.49Å; G286-S288 PolarHBondContact O-N 2.8Å; G286-G289 PolarHBondContact O-N 3.29Å
287E84.4Confident94.1Very high148 Ų14838.2 Ų38.269%0.69220%0.201SC*.THydrogen-bonded Turntrans-56.4-36.5-176.2-174.8178.9-166.200112.5N30N30-E287 PolarHBondContact OD1-N 3.24Å
288S85.3Confident93.9Very high77 Ų7738 Ų3854%0.53820%0.2SC..THydrogen-bonded Turntrans-96.65.1178-76.40000114.6R237 G286R237-S288 WeakPolarHBondContact CD-O 3.37Å; G286-S288 PolarHBondContact O-N 2.8Å
289G91.9Very high93.6Very high10 Ų1034.9 Ų34.910%0.10318%0.182CC..SBendtrans-115.7-154-167.100000114.3R236 R284 G286R236-G289 WeakPolarHBondContact CD-O 3.24Å; R236-G289 PolarHBondContact NH1-O 2.76Å; R284-G289 CarbonylContact O-C 3.6Å; R284-G289 WeakPolarHBondContact O-CA 3.36Å; G286-G289 PolarHBondContact O-N 3.29Å
290I94.5Very high93.2Very high0 Ų035.3 Ų35.30%019%0.185CC..BIsolated β-bridgetrans-82.8167.8171.158.477.6000111.8A32 V233 R236 W279 Q283 R284 P285 I293 L310A32-I290 HydrophobicContact CB-CD1 3.52Å; V233-I290 HydrophobicContact CG2-CG2 3.84Å; R236-I290 PolarHBondContact NH1-O 3.49Å; W279-I290 HydrophobicContact CH2-CG2 3.98Å; W279-I290 HydrophobicContact CZ2-CG2 4.46Å; Q283-I290 HydrophobicContact CB-CB 4.49Å; Q283-I290 HydrophobicContact CB-CG1 3.7Å; Q283-I290 HydrophobicContact CB-CG2 3.93Å; Q283-I290 HydrophobicContact CG-CG1 4.4Å; Q283-I290 HydrophobicContact CG-CG2 3.81Å; R284-I290 PolarHBondContact O-N 3.37Å; P285-I290 WeakPolarHBondContact CA-O 2.97Å; P285-I290 HydrophobicContact CB-CD1 3.91Å; I290-I293 HydrophobicContact CB-CD1 4.29Å; I290-I293 HydrophobicContact CB-CG1 4.38Å; I290-I293 HydrophobicContact CD1-CD1 4.01Å; I290-I293 HydrophobicContact CD1-CG1 4.35Å; I290-I293 HydrophobicContact CG1-CD1 4.01Å; I290-L310 HydrophobicContact CD1-CD1 4.01Å; I290-L310 HydrophobicContact CG1-CD1 4.3Å
291N96.8Very high92.7Very high0 Ų036.5 Ų36.50%020%0.197CC..  trans-134.6-94.2171.2174.5-145.4000109.5L28 T29 L31 A32 I33 R236 F243L28-N291 PolarHBondContact O-ND2 2.74Å; T29-N291 VanDerWaalsContact O-CB 3.3Å; T29-N291 WeakPolarHBondContact O-CB 3.35Å; T29-N291 VanDerWaalsContact O-CG 3.25Å; T29-N291 PolarHBondContact O-ND2 2.79Å; L31-N291 CarbonylContact O-C 3.27Å; L31-N291 VanDerWaalsContact O-CA 3.24Å; L31-N291 WeakPolarHBondContact O-CA 3.33Å; L31-N291 PolarHBondContact O-ND2 3.26Å; A32-N291 CarbonylContact C-O 3.48Å; A32-N291 WeakPolarHBondContact CA-O 3.42Å; I33-N291 PolarHBondContact N-O 3.18Å; R236-N291 VanDerWaalsContact CZ-CB 3.48Å; F243-N291 PolarHBondContact N-OD1 3.08Å
292I98.3Very high92.5Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-84.4132.4174.8-64.1150.3000108.2I33 F94 F141 M212 F243 V244 S245 T294I33-I292 HydrophobicContact CB-CG1 3.93Å; I33-I292 HydrophobicContact CD1-CG1 4.32Å; I33-I292 HydrophobicContact CG2-CG1 4.33Å; I33-I292 WeakPolarHBondContact O-CA 3.5Å; F94-I292 HydrophobicContact CB-CG1 4.46Å; F94-I292 HydrophobicContact CB-CG2 3.63Å; F94-I292 HydrophobicContact CD1-CG2 3.75Å; F94-I292 HydrophobicContact CD2-CD1 3.64Å; F94-I292 HydrophobicContact CD2-CG1 4.27Å; F94-I292 HydrophobicContact CD2-CG2 3.85Å; F94-I292 HydrophobicContact CE1-CG2 4.37Å; F94-I292 HydrophobicContact CE2-CD1 4.12Å; F94-I292 HydrophobicContact CE2-CG2 4.46Å; F94-I292 HydrophobicContact CG-CD1 4.35Å; F94-I292 HydrophobicContact CG-CG2 3.46Å; F94-I292 VanDerWaalsContact CG-CG2 3.46Å; F141-I292 HydrophobicContact CD1-CD1 4.39Å; M212-I292 HydrophobicContact CE-CD1 3.65Å; M212-I292 HydrophobicContact SD-CD1 3.57Å; M212-I292 VanDerWaalsContact SD-CD1 3.57Å; F243-I292 PolarHBondContact O-N 3.39Å; V244-I292 WeakPolarHBondContact CA-O 3.15Å; V244-I292 HydrophobicContact CG1-CG2 4.12Å; V244-I292 HydrophobicContact CG2-CB 4.19Å; V244-I292 HydrophobicContact CG2-CD1 4.36Å; V244-I292 HydrophobicContact CG2-CG2 4.16Å; S245-I292 PolarHBondContact N-O 2.84Å; I292-T294 HydrophobicContact CG2-CG2 4.18Å
293I98.5Very high92.6Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-116.6124.8171.8-56.8-177.3000107I33 G35 S245 V247 W279 I280 I290 F303 V307 L310I33-I293 PolarHBondContact O-N 3.22Å; G35-I293 PolarHBondContact N-O 3.43Å; S245-I293 WeakPolarHBondContact O-CA 3.35Å; V247-I293 HydrophobicContact CB-CG2 4.46Å; V247-I293 HydrophobicContact CG2-CG2 3.53Å; W279-I293 HydrophobicContact CZ3-CD1 4.39Å; I280-I293 HydrophobicContact CD1-CG2 4.48Å; I280-I293 HydrophobicContact CG1-CG2 4.35Å; I280-I293 HydrophobicContact CG2-CD1 4.35Å; I290-I293 HydrophobicContact CB-CD1 4.29Å; I290-I293 HydrophobicContact CB-CG1 4.38Å; I290-I293 HydrophobicContact CD1-CD1 4.01Å; I290-I293 HydrophobicContact CD1-CG1 4.35Å; I290-I293 HydrophobicContact CG1-CD1 4.01Å; I293-F303 HydrophobicContact CG2-CE2 3.78Å; I293-F303 HydrophobicContact CG2-CZ 4.14Å; I293-F303 WeakPolarHBondContact O-CZ 3.46Å; I293-V307 HydrophobicContact CB-CG1 4.41Å; I293-V307 HydrophobicContact CB-CG2 4.12Å; I293-V307 HydrophobicContact CD1-CG1 4.38Å; I293-V307 HydrophobicContact CD1-CG2 4.17Å; I293-V307 HydrophobicContact CG2-CG2 4.4Å; I293-L310 HydrophobicContact CD1-CD1 4.28Å
294T97.8Very high92.7Very high2 Ų230.9 Ų30.91%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-108.6148.5174.556.90000111.6G35 F94 V244 S245 Q246 V247 I292G35-T294 WeakPolarHBondContact O-CA 3.43Å; F94-T294 HydrophobicContact CD1-CG2 3.52Å; F94-T294 HydrophobicContact CE1-CG2 3.62Å; V244-T294 HydrophobicContact CG1-CG2 3.62Å; S245-T294 PolarHBondContact O-N 3.29Å; Q246-T294 WeakPolarHBondContact CA-OG1 3.06Å; V247-T294 WeakPolarHBondContact CA-O 3.46Å; V247-T294 WeakPolarHBondContact CB-O 3.36Å; V247-T294 PolarHBondContact N-O 3.22Å; I292-T294 HydrophobicContact CG2-CG2 4.18Å
295A95.1Very high92.8Very high10 Ų1026.3 Ų26.38%0.08316%0.156CC..EExtended strand (participates in β ladder)trans-142.8160.4173.500000111.3G35 H37 Q80 F303G35-A295 PolarHBondContact O-N 3Å; H37-A295 PolarHBondContact N-O 2.97Å; H37-A295 VanDerWaalsContact N-O 3.14Å; Q80-A295 PolarHBondContact NE2-O 3.41Å; A295-F303 HydrophobicContact CB-CD1 4.31Å; A295-F303 HydrophobicContact CB-CD2 3.9Å; A295-F303 HydrophobicContact CB-CE1 4.06Å; A295-F303 HydrophobicContact CB-CE2 3.63Å; A295-F303 HydrophobicContact CB-CG 4.24Å; A295-F303 HydrophobicContact CB-CZ 3.71Å
296D91.1Very high92.9Very high8 Ų826.2 Ų26.24%0.04316%0.155CC..SBendtrans-81.9142.2161.9-66.7-19.9000109.1H37 T79H37-D296 IonicContact CE1-OD1 2.96Å; H37-D296 IonicContact CG-OD1 2.79Å; H37-D296 IonicContact ND1-OD1 2.82Å; H37-D296 PolarHBondContact ND1-OD1 2.67Å; T79-D296 VanDerWaalsContact CB-OD1 3.24Å; T79-D296 WeakPolarHBondContact CB-OD1 3.4Å; T79-D296 WeakPolarHBondContact CG2-OD1 3.42Å; T79-D296 CarbonylContact O-C 3.48Å; T79-D296 WeakPolarHBondContact O-CA 3.42Å
297F90.8Very high93.4Very high8 Ų825.6 Ų25.64%0.03515%0.15CC..SBendtrans54.765.3179-48.9-72.7000111.5A78 T79 T81 L264 R265 T269 E299 L300A78-F297 WeakPolarHBondContact O-CZ 2.84Å; T79-F297 WeakPolarHBondContact O-CD1 3.28Å; T79-F297 PolarHBondContact O-N 2.93Å; T81-F297 HydrophobicContact CG2-CD1 3.96Å; T81-F297 HydrophobicContact CG2-CE1 4.14Å; L264-F297 HydrophobicContact CB-CE2 4.49Å; L264-F297 HydrophobicContact CD2-CE2 4.32Å; L264-F297 HydrophobicContact CG-CE2 4.21Å; R265-F297 VanDerWaalsContact CA-CE2 3.47Å; R265-F297 HydrophobicContact CB-CD2 3.99Å; R265-F297 HydrophobicContact CB-CE1 4.12Å; R265-F297 HydrophobicContact CB-CE2 3.54Å; R265-F297 HydrophobicContact CB-CG 4.47Å; R265-F297 HydrophobicContact CB-CZ 3.59Å; R265-F297 HydrophobicContact CG-CD1 4.45Å; R265-F297 HydrophobicContact CG-CD2 4.06Å; R265-F297 HydrophobicContact CG-CE1 4.49Å; R265-F297 HydrophobicContact CG-CE2 4.12Å; R265-F297 HydrophobicContact CG-CG 4.22Å; R265-F297 HydrophobicContact CG-CZ 4.33Å; T269-F297 HydrophobicContact CG2-CD2 4.06Å; F297-E299 VanDerWaalsContact CA-OE2 3.32Å; F297-E299 WeakPolarHBondContact CA-OE2 3.34Å; F297-E299 PolarHBondContact O-N 3.24Å; F297-L300 HydrophobicContact CB-CD1 3.65Å; F297-L300 HydrophobicContact CB-CG 3.85Å; F297-L300 HydrophobicContact CG-CD1 4.37Å; F297-L300 VanDerWaalsContact O-CB 3.3Å; F297-L300 WeakPolarHBondContact O-CB 3.21Å; F297-L300 WeakPolarHBondContact O-CG 3.47Å; F297-L300 PolarHBondContact O-N 3.35Å
298V92.3Very high94Very high3 Ų318.8 Ų18.82%0.01812%0.118CC..THydrogen-bonded Turntrans-57.9-16.5-174.4-63.90000114.2Q80 M82 Q87 V92 L300 F303 V304Q80-V298 VanDerWaalsContact OE1-N 3.17Å; M82-V298 HydrophobicContact SD-CG2 4.03Å; Q87-V298 HydrophobicContact CG-CG2 4.39Å; V92-V298 HydrophobicContact CG2-CB 4.32Å; V92-V298 HydrophobicContact CG2-CG1 4.43Å; V92-V298 HydrophobicContact CG2-CG2 3.98Å; V298-L300 PolarHBondContact O-N 3.04Å; V298-F303 HydrophobicContact CB-CD1 3.92Å; V298-F303 HydrophobicContact CB-CE1 4.26Å; V298-F303 HydrophobicContact CG1-CD1 4.02Å; V298-F303 HydrophobicContact CG1-CE1 3.88Å; V298-V304 HydrophobicContact CB-CG2 4.15Å
299E89.6Confident94.5Very high62 Ų6218.1 Ų18.129%0.2911%0.111SC..THydrogen-bonded Turntrans-70.5-13.9172.272.9-85.6-16200114.2T81 M82 R265 F297T81-E299 VanDerWaalsContact OG1-CD 3.24Å; T81-E299 PolarHBondContact OG1-OE1 3.23Å; M82-E299 HydrophobicContact SD-CB 3.78Å; R265-E299 IonicContact CZ-OE1 2.68Å; R265-E299 IonicContact NH1-OE1 2.77Å; R265-E299 PolarHBondContact NH1-OE1 2.85Å; R265-E299 IonicContact NH2-OE1 2.84Å; F297-E299 VanDerWaalsContact CA-OE2 3.32Å; F297-E299 WeakPolarHBondContact CA-OE2 3.34Å; F297-E299 PolarHBondContact O-N 3.24Å
300L88.6Confident94.7Very high20 Ų2017.8 Ų17.811%0.10511%0.107CC..G310 helixtrans-83.5143.2-174-67.6-176.6000113.1R265 T269 E270 L273 F297 V298 D302 F303R265-L300 HydrophobicContact CG-CD1 4.31Å; R265-L300 VanDerWaalsContact NH2-CD2 3.34Å; T269-L300 HydrophobicContact CG2-CD1 4.14Å; E270-L300 HydrophobicContact CG-CD1 3.9Å; L273-L300 HydrophobicContact CD1-CB 4.18Å; L273-L300 HydrophobicContact CD2-CB 4.02Å; F297-L300 HydrophobicContact CB-CD1 3.65Å; F297-L300 HydrophobicContact CB-CG 3.85Å; F297-L300 HydrophobicContact CG-CD1 4.37Å; F297-L300 VanDerWaalsContact O-CB 3.3Å; F297-L300 WeakPolarHBondContact O-CB 3.21Å; F297-L300 WeakPolarHBondContact O-CG 3.47Å; F297-L300 PolarHBondContact O-N 3.35Å; V298-L300 PolarHBondContact O-N 3.04Å; L300-D302 PolarHBondContact O-N 3.46Å; L300-D302 VanDerWaalsContact O-N 3.14Å; L300-F303 VanDerWaalsContact O-CB 3.26Å; L300-F303 WeakPolarHBondContact O-CB 3.29Å; L300-F303 PolarHBondContact O-N 2.71Å; L300-F303 VanDerWaalsContact O-N 3.08Å
301G87.4Confident94.8Very high26 Ų2617.8 Ų17.827%0.26811%0.107SC..G310 helixtrans65.818.5165.300000115.4M277 R281 F303M277-G301 WeakPolarHBondContact CE-O 3.13Å; R281-G301 PolarHBondContact NH2-O 3.43Å; G301-F303 PolarHBondContact O-N 3.26Å
302D92.6Very high94.6Very high111 Ų11121.7 Ų21.759%0.59412%0.122SC*.G310 helixtrans6126.2-172.8-52.4-43.4000112.8L300 V304 S305 A306L300-D302 PolarHBondContact O-N 3.46Å; L300-D302 VanDerWaalsContact O-N 3.14Å; D302-V304 PolarHBondContact O-N 3.15Å; D302-S305 WeakPolarHBondContact CB-OG 3.22Å; D302-S305 PolarHBondContact O-N 2.93Å; D302-S305 PolarHBondContact O-OG 3.14Å; D302-A306 WeakPolarHBondContact O-CB 3.48Å; D302-A306 PolarHBondContact O-N 3.47Å
303F96.4Very high93.8Very high5 Ų525 Ų252%0.02214%0.137CC..Hα-helixtrans-45-55.6-176167.2-102.3000112.8P34 M277 I280 I293 A295 V298 L300 G301 S305 A306 V307P34-F303 HydrophobicContact CB-CE1 4.32Å; M277-F303 HydrophobicContact SD-CB 4.27Å; I280-F303 HydrophobicContact CD1-CD2 3.61Å; I280-F303 HydrophobicContact CD1-CE2 3.78Å; I293-F303 HydrophobicContact CG2-CE2 3.78Å; I293-F303 HydrophobicContact CG2-CZ 4.14Å; I293-F303 WeakPolarHBondContact O-CZ 3.46Å; A295-F303 HydrophobicContact CB-CD1 4.31Å; A295-F303 HydrophobicContact CB-CD2 3.9Å; A295-F303 HydrophobicContact CB-CE1 4.06Å; A295-F303 HydrophobicContact CB-CE2 3.63Å; A295-F303 HydrophobicContact CB-CG 4.24Å; A295-F303 HydrophobicContact CB-CZ 3.71Å; V298-F303 HydrophobicContact CB-CD1 3.92Å; V298-F303 HydrophobicContact CB-CE1 4.26Å; V298-F303 HydrophobicContact CG1-CD1 4.02Å; V298-F303 HydrophobicContact CG1-CE1 3.88Å; L300-F303 VanDerWaalsContact O-CB 3.26Å; L300-F303 WeakPolarHBondContact O-CB 3.29Å; L300-F303 PolarHBondContact O-N 2.71Å; L300-F303 VanDerWaalsContact O-N 3.08Å; G301-F303 PolarHBondContact O-N 3.26Å; F303-S305 PolarHBondContact O-N 3.17Å; F303-A306 PolarHBondContact O-N 3.43Å; F303-A306 VanDerWaalsContact O-N 3.16Å; F303-V307 HydrophobicContact CD2-CG2 4.15Å; F303-V307 HydrophobicContact CE2-CG2 3.75Å; F303-V307 HydrophobicContact CZ-CG2 4.01Å; F303-V307 WeakPolarHBondContact O-CG2 3.38Å; F303-V307 PolarHBondContact O-N 3.23Å
304V97.1Very high92.3Very high9 Ų927.3 Ų27.36%0.05515%0.148CC..Hα-helixtrans-60.3-50.2-175.4-178.90000111.3P34 A90 V92 V298 D302 A306 V307 I308P34-V304 HydrophobicContact CB-CB 4.48Å; P34-V304 HydrophobicContact CB-CG1 3.95Å; P34-V304 HydrophobicContact CG-CG1 3.91Å; A90-V304 WeakPolarHBondContact O-CG1 3.41Å; V92-V304 HydrophobicContact CG2-CG2 4.17Å; V298-V304 HydrophobicContact CB-CG2 4.15Å; D302-V304 PolarHBondContact O-N 3.15Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 3.08Å; V304-V307 PolarHBondContact O-N 3.48Å; V304-I308 HydrophobicContact CG1-CD1 3.69Å; V304-I308 HydrophobicContact CG1-CG1 4.43Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 3.38Å
305S96.7Very high90.3Very high30 Ų3030.5 Ų30.521%0.2116%0.163CC..Hα-helixtrans-62.7-36.1177.968.10000112.8F12 D302 F303 I308 T309F12-S305 VanDerWaalsContact CZ-CB 3.5Å; D302-S305 WeakPolarHBondContact CB-OG 3.22Å; D302-S305 PolarHBondContact O-N 2.93Å; D302-S305 PolarHBondContact O-OG 3.14Å; F303-S305 PolarHBondContact O-N 3.17Å; S305-I308 PolarHBondContact O-N 3.28Å; S305-T309 WeakPolarHBondContact O-CB 3.45Å; S305-T309 PolarHBondContact O-N 3.03Å; S305-T309 PolarHBondContact O-OG1 3.48Å
306A97.1Very high88.4Confident9 Ų934.3 Ų34.37%0.07418%0.182CC..Hα-helixtrans-65.3-43.8179.600000110.9M277 I280 R281 D302 F303 V304 T309 L310M277-A306 HydrophobicContact CE-CB 3.48Å; M277-A306 VanDerWaalsContact CE-CB 3.48Å; I280-A306 HydrophobicContact CG2-CB 4.35Å; R281-A306 HydrophobicContact CG-CB 4.35Å; D302-A306 WeakPolarHBondContact O-CB 3.48Å; D302-A306 PolarHBondContact O-N 3.47Å; F303-A306 PolarHBondContact O-N 3.43Å; F303-A306 VanDerWaalsContact O-N 3.16Å; V304-A306 VanDerWaalsContact C-N 3.3Å; V304-A306 PolarHBondContact O-N 3.08Å; A306-T309 PolarHBondContact O-N 3.37Å; A306-L310 WeakPolarHBondContact O-CG 3.18Å; A306-L310 PolarHBondContact O-N 3.17Å
307V98.1Very high86.6Confident0 Ų039.1 Ų39.10%020%0.204CC..Hα-helixtrans-65.7-45.4176.3179.60000111A32 P34 I280 I293 F303 V304 T309 L310A32-V307 HydrophobicContact CB-CG1 4.07Å; A32-V307 VanDerWaalsContact CB-O 3.28Å; A32-V307 WeakPolarHBondContact CB-O 3.44Å; P34-V307 HydrophobicContact CB-CB 4.17Å; P34-V307 HydrophobicContact CB-CG1 4.21Å; I280-V307 HydrophobicContact CG2-CG2 3.89Å; I293-V307 HydrophobicContact CB-CG1 4.41Å; I293-V307 HydrophobicContact CB-CG2 4.12Å; I293-V307 HydrophobicContact CD1-CG1 4.38Å; I293-V307 HydrophobicContact CD1-CG2 4.17Å; I293-V307 HydrophobicContact CG2-CG2 4.4Å; F303-V307 HydrophobicContact CD2-CG2 4.15Å; F303-V307 HydrophobicContact CE2-CG2 3.75Å; F303-V307 HydrophobicContact CZ-CG2 4.01Å; F303-V307 WeakPolarHBondContact O-CG2 3.38Å; F303-V307 PolarHBondContact O-N 3.23Å; V304-V307 PolarHBondContact O-N 3.48Å; V307-T309 VanDerWaalsContact C-N 3.29Å; V307-T309 PolarHBondContact O-N 2.97Å; V307-L310 WeakPolarHBondContact O-CB 3.38Å; V307-L310 PolarHBondContact O-N 3.22Å
308I97.7Very high84.7Confident4 Ų445.5 Ų45.52%0.02123%0.234CC..Hα-helixtrans-59.6-41.9177.6-68.5168.5000111F12 W15 P34 V304 S305 L310 N311 Y312F12-I308 HydrophobicContact CB-CD1 3.72Å; F12-I308 HydrophobicContact CD1-CD1 3.98Å; F12-I308 HydrophobicContact CD2-CD1 4.47Å; F12-I308 HydrophobicContact CG-CD1 3.81Å; W15-I308 HydrophobicContact CB-CD1 4.05Å; W15-I308 HydrophobicContact CB-CG2 4.22Å; W15-I308 HydrophobicContact CD2-CD1 4.01Å; W15-I308 HydrophobicContact CD2-CG1 3.87Å; W15-I308 HydrophobicContact CD2-CG2 4.2Å; W15-I308 HydrophobicContact CE3-CG1 4.2Å; W15-I308 HydrophobicContact CE3-CG2 3.94Å; W15-I308 HydrophobicContact CG-CD1 3.65Å; W15-I308 HydrophobicContact CG-CG1 4.07Å; W15-I308 HydrophobicContact CG-CG2 4.34Å; P34-I308 HydrophobicContact CG-CD1 4.31Å; P34-I308 HydrophobicContact CG-CG1 3.97Å; V304-I308 HydrophobicContact CG1-CD1 3.69Å; V304-I308 HydrophobicContact CG1-CG1 4.43Å; V304-I308 WeakPolarHBondContact O-CG1 3.41Å; V304-I308 PolarHBondContact O-N 3.38Å; S305-I308 PolarHBondContact O-N 3.28Å; I308-L310 PolarHBondContact O-N 2.78Å; I308-N311 WeakPolarHBondContact O-CB 3.44Å; I308-N311 PolarHBondContact O-N 3.39Å; I308-N311 VanDerWaalsContact O-N 3.16Å; I308-N311 PolarHBondContact O-ND2 3.09Å; I308-N311 VanDerWaalsContact O-ND2 3.12Å; I308-Y312 HydrophobicContact CG2-CE2 4.21Å
309T96.4Very high82.6Confident64 Ų6452.6 Ų52.639%0.39327%0.267SS..Hα-helixtrans-61.2-28.3-179-58.30000112.4S305 A306 V307 N311 Y312S305-T309 WeakPolarHBondContact O-CB 3.45Å; S305-T309 PolarHBondContact O-N 3.03Å; S305-T309 PolarHBondContact O-OG1 3.48Å; A306-T309 PolarHBondContact O-N 3.37Å; V307-T309 VanDerWaalsContact C-N 3.29Å; V307-T309 PolarHBondContact O-N 2.97Å; T309-N311 PolarHBondContact O-N 2.99Å; T309-N311 VanDerWaalsContact O-N 3.1Å; T309-Y312 PolarHBondContact O-N 3.43Å
310L96.6Very high80.5Confident3 Ų356.3 Ų56.32%0.01629%0.289CS..THydrogen-bonded Turntrans-58.6-26178.2-62.3-178000113.4A32 Q283 P285 I290 I293 A306 V307 I308 Y312 H313A32-L310 HydrophobicContact CB-CB 3.72Å; A32-L310 HydrophobicContact CB-CD1 4.26Å; Q283-L310 HydrophobicContact CB-CD1 4.09Å; Q283-L310 WeakPolarHBondContact O-CD2 3.36Å; P285-L310 WeakPolarHBondContact CD-O 3.36Å; P285-L310 HydrophobicContact CG-CB 4.49Å; P285-L310 WeakPolarHBondContact CG-O 3.45Å; I290-L310 HydrophobicContact CD1-CD1 4.01Å; I290-L310 HydrophobicContact CG1-CD1 4.3Å; I293-L310 HydrophobicContact CD1-CD1 4.28Å; A306-L310 WeakPolarHBondContact O-CG 3.18Å; A306-L310 PolarHBondContact O-N 3.17Å; V307-L310 WeakPolarHBondContact O-CB 3.38Å; V307-L310 PolarHBondContact O-N 3.22Å; I308-L310 PolarHBondContact O-N 2.78Å; L310-Y312 VanDerWaalsContact C-N 3.34Å; L310-H313 PolarHBondContact O-N 2.94Å
311N96.5Very high78.5Confident0 Ų059.6 Ų59.60%032%0.319CS..THydrogen-bonded Turntrans-66.3-34.7177.1-70.1-56.5000112.7W15 L19 M23 A32 I308 T309 H313 M314W15-N311 WeakPolarHBondContact CZ3-ND2 3.41Å; L19-N311 HydrophobicContact CD2-CB 3.75Å; M23-N311 HydrophobicContact CE-CB 3.56Å; M23-N311 HydrophobicContact SD-CB 4Å; A32-N311 PolarHBondContact N-OD1 3.42Å; A32-N311 PolarHBondContact O-ND2 3.43Å; I308-N311 WeakPolarHBondContact O-CB 3.44Å; I308-N311 PolarHBondContact O-N 3.39Å; I308-N311 VanDerWaalsContact O-N 3.16Å; I308-N311 PolarHBondContact O-ND2 3.09Å; I308-N311 VanDerWaalsContact O-ND2 3.12Å; T309-N311 PolarHBondContact O-N 2.99Å; T309-N311 VanDerWaalsContact O-N 3.1Å; N311-H313 VanDerWaalsContact C-N 3.3Å; N311-H313 PolarHBondContact O-N 2.92Å; N311-M314 PolarHBondContact O-N 3.27Å
312Y91.3Very high76.3Confident82 Ų8266.5 Ų66.532%0.32236%0.356SS..G310 helixtrans-77.9-16.8-177.4-62.3-89.5000112.9L19 P20 I308 T309 L310 M314 E315L19-Y312 HydrophobicContact CD2-CE2 4.16Å; P20-Y312 HydrophobicContact CG-CD1 4.23Å; P20-Y312 HydrophobicContact CG-CE1 4.17Å; I308-Y312 HydrophobicContact CG2-CE2 4.21Å; T309-Y312 PolarHBondContact O-N 3.43Å; L310-Y312 VanDerWaalsContact C-N 3.34Å; Y312-M314 PolarHBondContact O-N 2.99Å; Y312-E315 PolarHBondContact O-N 3.48Å
313H82.2Confident75.5Confident70 Ų7064.3 Ų64.332%0.32434%0.344SS..G310 helixtrans-76.3-0.5175.8-62.9-46000114.2R284 L310 N311R284-H313 PolarHBondContact NH1-O 3.47Å; R284-H313 VanDerWaalsContact NH1-O 3.13Å; L310-H313 PolarHBondContact O-N 2.94Å; N311-H313 VanDerWaalsContact C-N 3.3Å; N311-H313 PolarHBondContact O-N 2.92Å
314M67.2Low74.4Confident47 Ų4767.4 Ų67.423%0.23236%0.361CS..G310 helixtrans-83.1-28.9173.5-68-163.8-67.700112.6M23 I26 L31 P285 N311 Y312M23-M314 HydrophobicContact CE-CE 3.12Å; M23-M314 HydrophobicContact SD-CE 4.12Å; I26-M314 HydrophobicContact CD1-CE 4.04Å; L31-M314 HydrophobicContact CD2-CE 4.26Å; P285-M314 HydrophobicContact CG-CE 4.14Å; P285-M314 HydrophobicContact CG-CG 4.06Å; P285-M314 HydrophobicContact CG-SD 3.87Å; N311-M314 PolarHBondContact O-N 3.27Å; Y312-M314 PolarHBondContact O-N 2.99Å
315E55.9Low73.1Confident70 Ų7070.7 Ų70.733%0.32738%0.378SS..Hα-helixtrans-71-37.4179.9-68.7-170136.700112.8P20 S22 Y312 E317 E318 E319P20-E315 WeakPolarHBondContact CB-OE1 3.5Å; P20-E315 VanDerWaalsContact CG-CD 3.46Å; P20-E315 HydrophobicContact CG-CG 4.5Å; P20-E315 WeakPolarHBondContact CG-OE1 3.28Å; P20-E315 WeakPolarHBondContact CG-OE2 3.34Å; S22-E315 PolarHBondContact OG-OE1 2.94Å; Y312-E315 PolarHBondContact O-N 3.48Å; E315-E317 PolarHBondContact O-N 3.16Å; E315-E318 PolarHBondContact O-N 2.89Å; E315-E319 PolarHBondContact O-N 3.4Å
316D55.2Low71.7Confident90 Ų9073.1 Ų73.148%0.48139%0.388SS..Hα-helixtrans-58.8-19.1-177.2-68.7-35000113.5N320D316-N320 WeakPolarHBondContact O-CB 3.37Å; D316-N320 PolarHBondContact O-ND2 3.46Å
317E52.2Low70.1Confident109 Ų10977.1 Ų77.151%0.50941%0.408SS..Hα-helixtrans-96-30.5-179.8-71.3-177.1-172.600113.2R284 E315 N320 A321R284-E317 IonicContact CZ-OE1 3.32Å; R284-E317 VanDerWaalsContact CZ-OE1 3.27Å; R284-E317 IonicContact NE-OE1 3.65Å; R284-E317 IonicContact NH2-OE1 3.18Å; R284-E317 PolarHBondContact NH2-OE1 3.11Å; E315-E317 PolarHBondContact O-N 3.16Å; E317-N320 PolarHBondContact O-N 2.86Å; E317-A321 WeakPolarHBondContact O-CB 3.27Å; E317-A321 PolarHBondContact O-N 3.08Å
318E50.8Low68.3Low141 Ų14182.2 Ų82.266%0.65944%0.435SS*.Hα-helixtrans-70.9-36.9174.4-73.9-171.5167.800111.5E315 N320 T322E315-E318 PolarHBondContact O-N 2.89Å; E318-N320 VanDerWaalsContact C-N 3.35Å; E318-T322 WeakPolarHBondContact O-CG2 3.15Å; E318-T322 PolarHBondContact O-N 2.83Å; E318-T322 PolarHBondContact O-OG1 3.04Å
319E48.3Very low66.2Low153 Ų15387.8 Ų87.872%0.71547%0.465SS*.Hα-helixtrans-71-27173.7-72-167.5161.900113.3E315 T322E315-E319 PolarHBondContact O-N 3.4Å; E319-T322 PolarHBondContact O-OG1 3.02Å
320N45.6Very low63.8Low140 Ų14089.6 Ų89.675%0.74947%0.47SS*.Hα-helixtrans-90.9-12.4177.5-80.2-46000113.7D316 E317 E318D316-N320 WeakPolarHBondContact O-CB 3.37Å; D316-N320 PolarHBondContact O-ND2 3.46Å; E317-N320 PolarHBondContact O-N 2.86Å; E318-N320 VanDerWaalsContact C-N 3.35Å
321A47Very low61.1Low88 Ų8896.8 Ų96.873%0.72751%0.508SS*.Hα-helixtrans-99.7-3.4176.400000113.6E317E317-A321 WeakPolarHBondContact O-CB 3.27Å; E317-A321 PolarHBondContact O-N 3.08Å
322T41.1Very low57.9Low172 Ų172105.6 Ų105.6100%1.05556%0.555SS**  trans-102.40174.145.20000112.3E318 E319E318-T322 WeakPolarHBondContact O-CG2 3.15Å; E318-T322 PolarHBondContact O-N 2.83Å; E318-T322 PolarHBondContact O-OG1 3.04Å; E319-T322 PolarHBondContact O-OG1 3.02Å

Retrieved 322 of 322 residues in 2303.4 ms (Link to these results)

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