A0A087YCY9_POEFO Loading...

Maleylacetoacetate isomerase

AlphaFold DB , UniProt , Accession A0A087YCY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M40.5Very low59.3Low236 Ų236139.4 Ų139.4100%1.16371%0.713SS**  0115.60-96.2162.769.400108L3M1-L3 PolarHBondContact O-N 3.23Å
2R38.5Very low62.6Low246 Ų246130.4 Ų130.493%0.92867%0.67SS**  trans-70111.3177.2-77178.5175.7-173.2-2.2108.1T4R2-T4 VanDerWaalsContact C-N 3.28Å; R2-T4 PolarHBondContact O-N 3.05Å
3L41.8Very low65.3Low169 Ų169120.4 Ų120.489%0.88562%0.618SS**  trans-67.695.3159.4-87134.3000106.1M1 L5M1-L3 PolarHBondContact O-N 3.23Å; L3-L5 PolarHBondContact O-N 3.05Å
4T44.8Very low67.7Low118 Ų118113.4 Ų113.472%0.72458%0.582SS**  trans-61.6111165.5-39.80000105.6R2 V6R2-T4 VanDerWaalsContact C-N 3.28Å; R2-T4 PolarHBondContact O-N 3.05Å; T4-V6 PolarHBondContact O-N 2.77Å
5L46.2Very low69.8Low168 Ų168105.9 Ų105.988%0.8854%0.543SS*.  trans-66.181.1170.1-140.597.7000106.2L3 C7L3-L5 PolarHBondContact O-N 3.05Å; L5-C7 PolarHBondContact O-N 3.03Å
6V50.2Low71.6Confident102 Ų102100.4 Ų100.462%0.61851%0.514SS*.  trans-62.8110.5163.1179.50000103.3T4 L8T4-V6 PolarHBondContact O-N 2.77Å; V6-L8 HydrophobicContact CG1-CD2 4.38Å; V6-L8 HydrophobicContact CG1-CG 4.43Å; V6-L8 PolarHBondContact O-N 2.95Å
7C49.9Very low73.1Confident113 Ų11394.9 Ų94.976%0.76449%0.485SS*.  trans-62.786.8167.1-166.10000105.3L5 M9L5-C7 PolarHBondContact O-N 3.03Å; C7-M9 PolarHBondContact O-N 2.73Å
8L64.7Low74.5Confident116 Ų11694.2 Ų94.261%0.60748%0.475SS*.  trans-59.5110.3177-78.2162.7000105.2V6 K10V6-L8 HydrophobicContact CG1-CD2 4.38Å; V6-L8 HydrophobicContact CG1-CG 4.43Å; V6-L8 PolarHBondContact O-N 2.95Å; L8-K10 PolarHBondContact O-N 3.44Å
9M83.6Confident75.8Confident167 Ų16789.9 Ų89.982%0.82346%0.455SS*.PPolyproline II helixtrans-56140.8177.5-69.5-174.268.300108.4C7C7-M9 PolarHBondContact O-N 2.73Å
10K94.2Very high76.9Confident85 Ų8585.7 Ų85.737%0.3743%0.434SS..PPolyproline II helixtrans-54.6131176.7-165.5179.7-179.2-153.60108.9L8 E35 Y36 D37L8-K10 PolarHBondContact O-N 3.44Å; K10-E35 VanDerWaalsContact CE-C 3.42Å; K10-E35 WeakPolarHBondContact CG-O 3.34Å; K10-Y36 VanDerWaalsContact CE-N 3.3Å; K10-Y36 WeakPolarHBondContact CE-O 3.36Å; K10-Y36 PolarHBondContact NZ-O 3.06Å; K10-D37 WeakPolarHBondContact CD-OD1 3.36Å; K10-D37 IonicContact NZ-OD1 3.1Å; K10-D37 PolarHBondContact NZ-OD1 2.8Å
11P97.9Very high77.9Confident13 Ų1382.1 Ų82.18%0.08442%0.417CS..PPolyproline II helixtrans-56.3146.9178.9-2533.1000111.8F29 I34 E35 Y36 D37 E68 I69P11-F29 HydrophobicContact CB-CZ 4.2Å; P11-I34 HydrophobicContact CG-CG2 3.97Å; P11-E35 WeakPolarHBondContact CD-O 3.37Å; P11-Y36 CarbonylContact O-C 3.55Å; P11-Y36 VanDerWaalsContact O-CA 3.27Å; P11-Y36 WeakPolarHBondContact O-CA 3.11Å; P11-Y36 WeakPolarHBondContact O-CB 3.36Å; P11-D37 PolarHBondContact O-N 2.73Å; P11-E68 CarbonylContact C-O 3.58Å; P11-E68 VanDerWaalsContact CA-O 3.26Å; P11-E68 WeakPolarHBondContact CA-O 3.4Å; P11-I69 HydrophobicContact CB-CB 4.29Å; P11-I69 HydrophobicContact CB-CD1 4.04Å; P11-I69 HydrophobicContact CB-CG1 4.15Å; P11-I69 HydrophobicContact CG-CD1 3.78Å; P11-I69 HydrophobicContact CG-CG1 3.92Å
12V98.5Very high80.7Confident32 Ų3270.9 Ų70.919%0.19436%0.362CS..EExtended strand (participates in β ladder)trans-113.9120.4175.7-175.40000109.5D37 V39 V67 E68V12-D37 CarbonylContact C-O 3.54Å; V12-D37 WeakPolarHBondContact CA-O 3.14Å; V12-V39 HydrophobicContact CG1-CB 4.39Å; V12-V39 HydrophobicContact CG1-CG2 3.6Å; V12-V67 WeakPolarHBondContact O-CA 3.37Å; V12-E68 HydrophobicContact CB-CB 4.25Å; V12-E68 PolarHBondContact N-O 2.7Å; V12-E68 PolarHBondContact O-N 3.35Å
13L98.7Very high83.6Confident0 Ų059.5 Ų59.50%032%0.319CS..EExtended strand (participates in β ladder)trans-96.3111.3172.7176.760.2000110G15 V25 R26 F29 Y36 D37 Q38 V39 P65 V67L13-G15 PolarHBondContact O-N 3.44Å; L13-V25 HydrophobicContact CD1-CB 4.37Å; L13-V25 HydrophobicContact CD1-CG1 4.02Å; L13-R26 HydrophobicContact CD2-CG 3.47Å; L13-R26 VanDerWaalsContact CD2-CG 3.47Å; L13-F29 HydrophobicContact CB-CE2 4.3Å; L13-Y36 HydrophobicContact CB-CD2 3.61Å; L13-Y36 HydrophobicContact CB-CE2 3.86Å; L13-Y36 HydrophobicContact CD2-CD2 4.25Å; L13-Y36 HydrophobicContact CD2-CE2 3.67Å; L13-Y36 HydrophobicContact CG-CE2 4.38Å; L13-D37 PolarHBondContact N-O 3.1Å; L13-Q38 WeakPolarHBondContact O-CA 3.42Å; L13-V39 PolarHBondContact O-N 3.48Å; L13-P65 HydrophobicContact CD1-CB 3.59Å; L13-V67 HydrophobicContact CD1-CG2 3.63Å
14H98.7Very high86.3Confident23 Ų2351.6 Ų51.611%0.10628%0.277CS..EExtended strand (participates in β ladder)trans-83.6107.5165.4-63-100.4000108.7V39 V41 Y55 L58 P65 A66 E68H14-V39 WeakPolarHBondContact CA-O 3.47Å; H14-V41 HydrophobicContact CB-CG2 4.06Å; H14-Y55 HydrophobicContact CB-CE2 4.03Å; H14-L58 HydrophobicContact CB-CD2 3.86Å; H14-L58 VanDerWaalsContact CD2-CD2 3.43Å; H14-L58 WeakPolarHBondContact CD2-CD2 3.18Å; H14-P65 VanDerWaalsContact O-CA 3.31Å; H14-P65 WeakPolarHBondContact O-CA 3.39Å; H14-A66 HydrophobicContact CB-CB 4.32Å; H14-A66 WeakPolarHBondContact CB-O 3.41Å; H14-A66 PolarHBondContact N-O 2.98Å; H14-A66 PolarHBondContact O-N 2.92Å; H14-E68 IonicContact CD2-OE1 2.8Å; H14-E68 IonicContact CE1-OE1 3.64Å; H14-E68 IonicContact NE2-OE1 3.69Å; H14-E68 PolarHBondContact NE2-OE1 3.48Å
15G98.2Very high88.9Confident0 Ų046 Ų460%024%0.243CC..EExtended strand (participates in β ladder)trans-146170.2-166.300000113.8L13 V39 A40 V41L13-G15 PolarHBondContact O-N 3.44Å; G15-V39 PolarHBondContact N-O 3.36Å; G15-A40 CarbonylContact O-C 3.36Å; G15-A40 WeakPolarHBondContact O-CA 3.47Å; G15-V41 PolarHBondContact O-N 3.06Å
16Y98.6Very high91.4Very high19 Ų1938 Ų388%0.07520%0.201CC..  trans-127.7136.2172.2-177.9-124.1000109.1R18 S19 S22 R26 V41 L43Y16-R18 HydrophobicContact CD1-CB 4.12Å; Y16-R18 HydrophobicContact CE1-CB 3.73Å; Y16-R18 PolarHBondContact O-N 2.59Å; Y16-R18 VanDerWaalsContact O-N 3.12Å; Y16-S19 WeakPolarHBondContact O-CB 3.29Å; Y16-S19 PolarHBondContact O-N 3.44Å; Y16-S22 PolarHBondContact N-OG 2.91Å; Y16-R26 PolarHBondContact O-NH1 2.76Å; Y16-V41 WeakPolarHBondContact CB-O 3.46Å; Y16-V41 WeakPolarHBondContact CD2-O 3.37Å; Y16-L43 HydrophobicContact CD1-CB 4.27Å; Y16-L43 HydrophobicContact CD1-CD1 3.59Å; Y16-L43 HydrophobicContact CD1-CG 3.77Å; Y16-L43 HydrophobicContact CD2-CG 4.43Å; Y16-L43 HydrophobicContact CE1-CB 4.38Å; Y16-L43 HydrophobicContact CE1-CD1 4.33Å; Y16-L43 HydrophobicContact CE1-CG 4.38Å; Y16-L43 HydrophobicContact CG-CD1 3.99Å; Y16-L43 HydrophobicContact CG-CG 3.8Å
17F98.3Very high93.7Very high6 Ų633.1 Ų33.13%0.02617%0.172CC..THydrogen-bonded Turntrans-51.9-43.6-173.877.8-81.8000111.7R26 P208 Q211 D213 T214 P215 L218F17-R26 PolarHBondContact O-NH2 3.33Å; F17-P208 HydrophobicContact CD2-CB 4.24Å; F17-P208 WeakPolarHBondContact CD2-O 3.47Å; F17-P208 WeakPolarHBondContact O-CB 3.44Å; F17-Q211 HydrophobicContact CB-CB 3.73Å; F17-Q211 HydrophobicContact CB-CG 4.04Å; F17-D213 WeakPolarHBondContact CD1-O 3.45Å; F17-D213 PolarHBondContact N-OD2 3.22Å; F17-T214 HydrophobicContact CD2-CG2 4.25Å; F17-T214 HydrophobicContact CE2-CG2 4.5Å; F17-P215 HydrophobicContact CE1-CG 4.08Å; F17-P215 HydrophobicContact CZ-CG 3.89Å; F17-L218 HydrophobicContact CE2-CD1 3.99Å; F17-L218 HydrophobicContact CZ-CD1 4.1Å
18R97.6Very high96.1Very high82 Ų8227.8 Ų27.831%0.30914%0.135SC..THydrogen-bonded Turntrans-94.46.3-174.7-139.8174.568.8-172.60.1114.6Y16 Y175 R179Y16-R18 HydrophobicContact CD1-CB 4.12Å; Y16-R18 HydrophobicContact CE1-CB 3.73Å; Y16-R18 PolarHBondContact O-N 2.59Å; Y16-R18 VanDerWaalsContact O-N 3.12Å; R18-Y175 HydrophobicContact CG-CE1 4.02Å; R18-R179 PolarHBondContact O-NH1 3.41Å
19S98.6Very high97.7Very high14 Ų1422.2 Ų22.210%0.09811%0.106CC..  trans-79.2120.4173.5170.30000110Y16 C21 S22 W23Y16-S19 WeakPolarHBondContact O-CB 3.29Å; Y16-S19 PolarHBondContact O-N 3.44Å; S19-C21 VanDerWaalsContact C-N 3.28Å; S19-C21 PolarHBondContact O-N 3.33Å; S19-C21 PolarHBondContact OG-N 2.94Å; S19-S22 WeakPolarHBondContact CB-OG 3.35Å; S19-S22 PolarHBondContact O-N 3.45Å; S19-S22 PolarHBondContact OG-N 3.43Å; S19-S22 PolarHBondContact OG-OG 2.88Å; S19-W23 PolarHBondContact O-N 2.96Å
20S98.8Very high98.4Very high4 Ų416.1 Ų16.13%0.0288%0.082CC..Hα-helixtrans-63.2-35.9176.257.30000111.9W23 R24 P172 N176S20-W23 PolarHBondContact O-N 3.36Å; S20-R24 WeakPolarHBondContact O-CG 3.49Å; S20-R24 PolarHBondContact O-N 2.91Å; S20-R24 VanDerWaalsContact O-N 3.14Å; S20-P172 WeakPolarHBondContact CB-O 3.46Å; S20-P172 WeakPolarHBondContact O-CB 3.42Å; S20-N176 VanDerWaalsContact CB-ND2 3.33Å; S20-N176 WeakPolarHBondContact CB-ND2 3.31Å; S20-N176 PolarHBondContact OG-ND2 3.02Å
21C98.8Very high98.6Very high12 Ų1213.4 Ų13.48%0.0817%0.071CC..Hα-helixtrans-68.4-37.6177.2-60.60000112.5S19 S77 Q116S19-C21 VanDerWaalsContact C-N 3.28Å; S19-C21 PolarHBondContact O-N 3.33Å; S19-C21 PolarHBondContact OG-N 2.94Å; C21-S77 WeakPolarHBondContact O-CB 3.37Å; C21-Q116 PolarHBondContact SG-NE2 3.16Å
22S98.9Very high98.6Very high0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-67.8-39.7174.3-58.70000110.9Y16 S19 R24 V25 R26Y16-S22 PolarHBondContact N-OG 2.91Å; S19-S22 WeakPolarHBondContact CB-OG 3.35Å; S19-S22 PolarHBondContact O-N 3.45Å; S19-S22 PolarHBondContact OG-N 3.43Å; S19-S22 PolarHBondContact OG-OG 2.88Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 2.77Å; S22-V25 PolarHBondContact O-N 2.83Å; S22-V25 VanDerWaalsContact O-N 3.14Å; S22-R26 WeakPolarHBondContact O-CG 3.27Å; S22-R26 PolarHBondContact O-N 2.76Å
23W98.9Very high98.5Very high7 Ų715.4 Ų15.43%0.02710%0.095CC..Hα-helixtrans-60.1-39.6177.3-168.14.8000112.6S19 S20 V25 R26 I27 V171 P172 Y175 S206 H207 P208S19-W23 PolarHBondContact O-N 2.96Å; S20-W23 PolarHBondContact O-N 3.36Å; W23-V25 VanDerWaalsContact C-N 3.28Å; W23-V25 PolarHBondContact O-N 3.38Å; W23-R26 PolarHBondContact O-N 3.24Å; W23-R26 VanDerWaalsContact O-N 3.12Å; W23-I27 HydrophobicContact CG-CD1 4.2Å; W23-I27 WeakPolarHBondContact O-CG1 3.26Å; W23-I27 PolarHBondContact O-N 2.93Å; W23-V171 HydrophobicContact CH2-CG1 3.81Å; W23-V171 HydrophobicContact CZ2-CG1 3.79Å; W23-P172 HydrophobicContact CB-CB 4.16Å; W23-P172 HydrophobicContact CB-CG 3.96Å; W23-P172 HydrophobicContact CD2-CB 4.12Å; W23-P172 HydrophobicContact CD2-CG 3.83Å; W23-P172 HydrophobicContact CE3-CB 3.75Å; W23-P172 HydrophobicContact CE3-CG 3.95Å; W23-P172 HydrophobicContact CG-CB 4.35Å; W23-P172 HydrophobicContact CG-CG 3.88Å; W23-P172 HydrophobicContact CZ3-CB 4.49Å; W23-Y175 HydrophobicContact CH2-CD2 4.41Å; W23-Y175 HydrophobicContact CH2-CG 4.38Å; W23-Y175 HydrophobicContact CZ3-CD1 4.05Å; W23-Y175 AromaticContact CZ3-CD2 3.99Å; W23-Y175 HydrophobicContact CZ3-CD2 3.99Å; W23-Y175 AromaticContact CZ3-CG 3.59Å; W23-Y175 HydrophobicContact CZ3-CG 3.59Å; W23-S206 PolarHBondContact NE1-O 3.49Å; W23-S206 VanDerWaalsContact NE1-O 3.12Å; W23-S206 PolarHBondContact NE1-OG 2.9Å; W23-H207 AromaticContact CH2-CD2 3.56Å; W23-H207 HydrophobicContact CZ2-CB 4.38Å; W23-H207 AromaticContact CZ2-CD2 3.62Å; W23-P208 HydrophobicContact CD2-CG 3.91Å; W23-P208 HydrophobicContact CE3-CG 3.47Å; W23-P208 VanDerWaalsContact CE3-CG 3.47Å; W23-P208 VanDerWaalsContact CH2-CD 3.49Å; W23-P208 HydrophobicContact CH2-CG 4.15Å; W23-P208 VanDerWaalsContact CZ3-CD 3.45Å; W23-P208 HydrophobicContact CZ3-CG 3.58Å
24R98.9Very high98.4Very high2 Ų216.6 Ų16.61%0.00810%0.101CC..Hα-helixtrans-51.5-47.6173.2-66.4170.2-170.4163.5-0.5112.2S20 S22 I27 A28 S77 I81 I168 P172S20-R24 WeakPolarHBondContact O-CG 3.49Å; S20-R24 PolarHBondContact O-N 2.91Å; S20-R24 VanDerWaalsContact O-N 3.14Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 2.77Å; R24-I27 PolarHBondContact O-N 2.88Å; R24-A28 PolarHBondContact O-N 2.89Å; R24-S77 PolarHBondContact NH1-OG 2.75Å; R24-I81 HydrophobicContact CB-CD1 3.92Å; R24-I168 HydrophobicContact CB-CG2 3.77Å; R24-I168 HydrophobicContact CG-CG2 4.25Å; R24-I168 WeakPolarHBondContact CG-O 3.46Å; R24-I168 WeakPolarHBondContact O-CG2 3.48Å; R24-P172 HydrophobicContact CG-CG 4.06Å
25V98.9Very high98.4Very high0 Ų022.7 Ų22.70%013%0.129CC..Hα-helixtrans-68.8-39.7180177.80000111.4L13 S22 W23 I27 A28 F29 P65 V67 V80L13-V25 HydrophobicContact CD1-CB 4.37Å; L13-V25 HydrophobicContact CD1-CG1 4.02Å; S22-V25 PolarHBondContact O-N 2.83Å; S22-V25 VanDerWaalsContact O-N 3.14Å; W23-V25 VanDerWaalsContact C-N 3.28Å; W23-V25 PolarHBondContact O-N 3.38Å; V25-I27 VanDerWaalsContact C-N 3.33Å; V25-I27 PolarHBondContact O-N 3.21Å; V25-A28 PolarHBondContact O-N 2.82Å; V25-F29 HydrophobicContact CG1-CD2 3.93Å; V25-F29 HydrophobicContact CG1-CE2 3.64Å; V25-F29 HydrophobicContact CG1-CZ 4.03Å; V25-F29 PolarHBondContact O-N 3Å; V25-P65 HydrophobicContact CG2-CB 4.35Å; V25-P65 HydrophobicContact CG2-CG 3.7Å; V25-V67 HydrophobicContact CG1-CG2 3.92Å; V25-V80 HydrophobicContact CG1-CG1 3.79Å; V25-V80 HydrophobicContact CG2-CB 4.17Å; V25-V80 HydrophobicContact CG2-CG1 3.93Å
26R98.9Very high98.4Very high1 Ų125.1 Ų25.10%0.00414%0.139CC..Hα-helixtrans-60.2-41.8174.7-64.5-166.4-63.4-97.24.5112.5L13 Y16 F17 S22 W23 F29 A30 Y36 S206L13-R26 HydrophobicContact CD2-CG 3.47Å; L13-R26 VanDerWaalsContact CD2-CG 3.47Å; Y16-R26 PolarHBondContact O-NH1 2.76Å; F17-R26 PolarHBondContact O-NH2 3.33Å; S22-R26 WeakPolarHBondContact O-CG 3.27Å; S22-R26 PolarHBondContact O-N 2.76Å; W23-R26 PolarHBondContact O-N 3.24Å; W23-R26 VanDerWaalsContact O-N 3.12Å; R26-F29 PolarHBondContact O-N 2.9Å; R26-A30 WeakPolarHBondContact O-CB 3.32Å; R26-A30 PolarHBondContact O-N 3.45Å; R26-Y36 WeakPolarHBondContact CD-OH 3.27Å; R26-Y36 VanDerWaalsContact CG-OH 3.31Å; R26-Y36 WeakPolarHBondContact CG-OH 3.42Å; R26-S206 PolarHBondContact NE-O 3.04Å; R26-S206 PolarHBondContact NH2-O 2.83Å
27I98.9Very high98.3Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-62-47.3175.1-64.9158.7000109.6W23 R24 V25 F29 A30 L31 I168 P172 F203 S206W23-I27 HydrophobicContact CG-CD1 4.2Å; W23-I27 WeakPolarHBondContact O-CG1 3.26Å; W23-I27 PolarHBondContact O-N 2.93Å; R24-I27 PolarHBondContact O-N 2.88Å; V25-I27 VanDerWaalsContact C-N 3.33Å; V25-I27 PolarHBondContact O-N 3.21Å; I27-F29 PolarHBondContact O-N 2.93Å; I27-A30 PolarHBondContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 3.73Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.35Å; I27-L31 WeakPolarHBondContact O-CG 3.37Å; I27-L31 PolarHBondContact O-N 2.96Å; I27-I168 HydrophobicContact CB-CG2 4.17Å; I27-I168 HydrophobicContact CD1-CG2 4.48Å; I27-I168 HydrophobicContact CG2-CB 4.45Å; I27-I168 HydrophobicContact CG2-CD1 4.48Å; I27-I168 HydrophobicContact CG2-CG1 3.82Å; I27-I168 HydrophobicContact CG2-CG2 4.32Å; I27-P172 HydrophobicContact CD1-CG 3.87Å; I27-F203 HydrophobicContact CD1-CD1 3.69Å; I27-F203 HydrophobicContact CD1-CE1 3.73Å; I27-F203 HydrophobicContact CG1-CD1 4Å; I27-F203 HydrophobicContact CG1-CE1 4.25Å; I27-F203 HydrophobicContact CG2-CD1 4.1Å; I27-F203 HydrophobicContact CG2-CD2 4.37Å; I27-F203 HydrophobicContact CG2-CE1 3.76Å; I27-F203 HydrophobicContact CG2-CE2 4.06Å; I27-F203 HydrophobicContact CG2-CG 4.41Å; I27-F203 HydrophobicContact CG2-CZ 3.75Å; I27-S206 WeakPolarHBondContact CG1-OG 3.35Å
28A98.8Very high98.2Very high0 Ų029.5 Ų29.50%016%0.163CC..Hα-helixtrans-61.2-42.618000000112.6R24 V25 L31 K32 I81 L93 I168R24-A28 PolarHBondContact O-N 2.89Å; V25-A28 PolarHBondContact O-N 2.82Å; A28-L31 PolarHBondContact O-N 3.36Å; A28-K32 WeakPolarHBondContact O-CB 3.39Å; A28-K32 WeakPolarHBondContact O-CG 3.45Å; A28-K32 PolarHBondContact O-N 3.21Å; A28-I81 HydrophobicContact CB-CG1 3.82Å; A28-I81 HydrophobicContact CB-CG2 4.4Å; A28-L93 HydrophobicContact CB-CD1 3.93Å; A28-I168 HydrophobicContact CB-CD1 4.14Å
29F98.6Very high98.3Very high0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-60.6-46.3172.7-75-30.4000112P11 L13 V25 R26 I27 L31 K32 G33 I34 Y36 V67 I69 I84P11-F29 HydrophobicContact CB-CZ 4.2Å; L13-F29 HydrophobicContact CB-CE2 4.3Å; V25-F29 HydrophobicContact CG1-CD2 3.93Å; V25-F29 HydrophobicContact CG1-CE2 3.64Å; V25-F29 HydrophobicContact CG1-CZ 4.03Å; V25-F29 PolarHBondContact O-N 3Å; R26-F29 PolarHBondContact O-N 2.9Å; I27-F29 PolarHBondContact O-N 2.93Å; F29-L31 PolarHBondContact O-N 3.49Å; F29-K32 CarbonylContact O-C 3.57Å; F29-K32 PolarHBondContact O-N 3.24Å; F29-G33 PolarHBondContact O-N 3.39Å; F29-I34 HydrophobicContact CB-CB 4.23Å; F29-I34 HydrophobicContact CD1-CB 3.79Å; F29-I34 HydrophobicContact CD1-CD1 3.78Å; F29-I34 HydrophobicContact CD1-CG1 4.4Å; F29-I34 HydrophobicContact CD1-CG2 3.7Å; F29-I34 HydrophobicContact CE1-CD1 4.24Å; F29-I34 HydrophobicContact CE1-CG2 3.98Å; F29-I34 HydrophobicContact CG-CB 4.31Å; F29-I34 HydrophobicContact CG-CG2 4.32Å; F29-I34 PolarHBondContact O-N 3.48Å; F29-Y36 HydrophobicContact CB-CD1 3.8Å; F29-Y36 HydrophobicContact CB-CE1 3.91Å; F29-Y36 AromaticContact CD2-CD1 3.38Å; F29-Y36 HydrophobicContact CD2-CD1 3.38Å; F29-Y36 HydrophobicContact CD2-CD2 4.11Å; F29-Y36 AromaticContact CD2-CE1 3.79Å; F29-Y36 HydrophobicContact CD2-CE1 3.79Å; F29-Y36 HydrophobicContact CD2-CE2 4.44Å; F29-Y36 AromaticContact CD2-CG 3.57Å; F29-Y36 HydrophobicContact CD2-CG 3.57Å; F29-Y36 HydrophobicContact CE2-CD1 4.15Å; F29-Y36 HydrophobicContact CE2-CD2 4.25Å; F29-Y36 AromaticContact CE2-CG 3.87Å; F29-Y36 HydrophobicContact CE2-CG 3.87Å; F29-Y36 AromaticContact CG-CD1 3.87Å; F29-Y36 HydrophobicContact CG-CD1 3.87Å; F29-Y36 HydrophobicContact CG-CE1 4.3Å; F29-Y36 HydrophobicContact CG-CG 4.4Å; F29-V67 HydrophobicContact CZ-CG1 3.85Å; F29-I69 HydrophobicContact CE1-CD1 4.27Å; F29-I84 HydrophobicContact CD1-CD1 3.56Å; F29-I84 HydrophobicContact CD1-CG1 4.37Å; F29-I84 HydrophobicContact CE1-CD1 3.24Å; F29-I84 HydrophobicContact CE1-CG1 3.91Å; F29-I84 HydrophobicContact CZ-CD1 4.07Å
30A98.6Very high98.2Very high38 Ų3830.3 Ų30.331%0.31418%0.181SC..Hα-helixtrans-62.6-42.917800000112.6R26 I27 K32 G33 A202R26-A30 WeakPolarHBondContact O-CB 3.32Å; R26-A30 PolarHBondContact O-N 3.45Å; I27-A30 PolarHBondContact O-N 3.07Å; A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 2.79Å; A30-G33 PolarHBondContact O-N 3.34Å; A30-A202 HydrophobicContact CB-CB 3.78Å
31L98.5Very high98.1Very high28 Ų2830.4 Ų30.415%0.14718%0.181CC..Hα-helixtrans-64.1-30.8177-72.9171.9000113I27 A28 F29 L93 I163 I168 A202I27-L31 HydrophobicContact CG2-CD1 3.73Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.35Å; I27-L31 WeakPolarHBondContact O-CG 3.37Å; I27-L31 PolarHBondContact O-N 2.96Å; A28-L31 PolarHBondContact O-N 3.36Å; F29-L31 PolarHBondContact O-N 3.49Å; L31-L93 HydrophobicContact CB-CD2 4.3Å; L31-L93 HydrophobicContact CD1-CD2 3.95Å; L31-I163 HydrophobicContact CD1-CG2 3.86Å; L31-I163 HydrophobicContact CD2-CD1 4.02Å; L31-I163 HydrophobicContact CD2-CG2 4.45Å; L31-I168 HydrophobicContact CD1-CD1 3.81Å; L31-I168 HydrophobicContact CD1-CG1 3.97Å; L31-A202 HydrophobicContact CD2-CB 3.59Å; L31-A202 HydrophobicContact CG-CB 3.83Å
32K97.9Very high98Very high23 Ų2332.2 Ų32.210%0.119%0.19CC..THydrogen-bonded Turntrans-92.3-1.1178.7-68.8-80.4-168.9178.40113.3A28 F29 A30 I34 I84 D85 R88 P91 L93A28-K32 WeakPolarHBondContact O-CB 3.39Å; A28-K32 WeakPolarHBondContact O-CG 3.45Å; A28-K32 PolarHBondContact O-N 3.21Å; F29-K32 CarbonylContact O-C 3.57Å; F29-K32 PolarHBondContact O-N 3.24Å; A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 2.79Å; K32-I34 HydrophobicContact CB-CD1 3.6Å; K32-I34 HydrophobicContact CB-CG1 3.81Å; K32-I34 HydrophobicContact CG-CD1 4.39Å; K32-I34 PolarHBondContact O-N 2.92Å; K32-I84 HydrophobicContact CB-CG2 4.26Å; K32-I84 HydrophobicContact CD-CG2 4.34Å; K32-I84 HydrophobicContact CG-CG2 3.72Å; K32-D85 WeakPolarHBondContact CE-OD1 3.37Å; K32-D85 IonicContact NZ-OD1 2.71Å; K32-D85 PolarHBondContact NZ-OD1 3.12Å; K32-R88 HydrophobicContact CD-CB 4.37Å; K32-R88 PolarHBondContact NZ-O 3.39Å; K32-P91 WeakPolarHBondContact CE-O 3.48Å; K32-P91 PolarHBondContact NZ-O 3.39Å; K32-L93 HydrophobicContact CG-CD1 4.42Å
33G97.1Very high97.9Very high65 Ų6533.3 Ų33.367%0.6720%0.196SC*.THydrogen-bonded Turntrans62.230-175.900000113.4F29 A30F29-G33 PolarHBondContact O-N 3.39Å; A30-G33 PolarHBondContact O-N 3.34Å
34I97.2Very high97.5Very high25 Ų2537.5 Ų37.513%0.12822%0.218CC..  trans-87.4114.5-179.8-63.2164.5000108.4P11 F29 K32 I84 R88P11-I34 HydrophobicContact CG-CG2 3.97Å; F29-I34 HydrophobicContact CB-CB 4.23Å; F29-I34 HydrophobicContact CD1-CB 3.79Å; F29-I34 HydrophobicContact CD1-CD1 3.78Å; F29-I34 HydrophobicContact CD1-CG1 4.4Å; F29-I34 HydrophobicContact CD1-CG2 3.7Å; F29-I34 HydrophobicContact CE1-CD1 4.24Å; F29-I34 HydrophobicContact CE1-CG2 3.98Å; F29-I34 HydrophobicContact CG-CB 4.31Å; F29-I34 HydrophobicContact CG-CG2 4.32Å; F29-I34 PolarHBondContact O-N 3.48Å; K32-I34 HydrophobicContact CB-CD1 3.6Å; K32-I34 HydrophobicContact CB-CG1 3.81Å; K32-I34 HydrophobicContact CG-CD1 4.39Å; K32-I34 PolarHBondContact O-N 2.92Å; I34-I84 HydrophobicContact CD1-CG1 4.47Å; I34-I84 HydrophobicContact CD1-CG2 3.5Å; I34-R88 HydrophobicContact CD1-CB 4.28Å; I34-R88 HydrophobicContact CD1-CG 3.75Å; I34-R88 HydrophobicContact CG1-CG 4.23Å
35E97.1Very high96.8Very high150 Ų15043.1 Ų43.170%0.70124%0.242SC*.  trans-73.1134167.4-56.1-172169.700109.7K10 P11K10-E35 VanDerWaalsContact CE-C 3.42Å; K10-E35 WeakPolarHBondContact CG-O 3.34Å; P11-E35 WeakPolarHBondContact CD-O 3.37Å
36Y97.8Very high96.3Very high52 Ų5249.6 Ų49.620%0.20428%0.277CS..  trans-138161.8178.166.8-81000110.7K10 P11 L13 R26 F29 Q38K10-Y36 VanDerWaalsContact CE-N 3.3Å; K10-Y36 WeakPolarHBondContact CE-O 3.36Å; K10-Y36 PolarHBondContact NZ-O 3.06Å; P11-Y36 CarbonylContact O-C 3.55Å; P11-Y36 VanDerWaalsContact O-CA 3.27Å; P11-Y36 WeakPolarHBondContact O-CA 3.11Å; P11-Y36 WeakPolarHBondContact O-CB 3.36Å; L13-Y36 HydrophobicContact CB-CD2 3.61Å; L13-Y36 HydrophobicContact CB-CE2 3.86Å; L13-Y36 HydrophobicContact CD2-CD2 4.25Å; L13-Y36 HydrophobicContact CD2-CE2 3.67Å; L13-Y36 HydrophobicContact CG-CE2 4.38Å; R26-Y36 WeakPolarHBondContact CD-OH 3.27Å; R26-Y36 VanDerWaalsContact CG-OH 3.31Å; R26-Y36 WeakPolarHBondContact CG-OH 3.42Å; F29-Y36 HydrophobicContact CB-CD1 3.8Å; F29-Y36 HydrophobicContact CB-CE1 3.91Å; F29-Y36 AromaticContact CD2-CD1 3.38Å; F29-Y36 HydrophobicContact CD2-CD1 3.38Å; F29-Y36 HydrophobicContact CD2-CD2 4.11Å; F29-Y36 AromaticContact CD2-CE1 3.79Å; F29-Y36 HydrophobicContact CD2-CE1 3.79Å; F29-Y36 HydrophobicContact CD2-CE2 4.44Å; F29-Y36 AromaticContact CD2-CG 3.57Å; F29-Y36 HydrophobicContact CD2-CG 3.57Å; F29-Y36 HydrophobicContact CE2-CD1 4.15Å; F29-Y36 HydrophobicContact CE2-CD2 4.25Å; F29-Y36 AromaticContact CE2-CG 3.87Å; F29-Y36 HydrophobicContact CE2-CG 3.87Å; F29-Y36 AromaticContact CG-CD1 3.87Å; F29-Y36 HydrophobicContact CG-CD1 3.87Å; F29-Y36 HydrophobicContact CG-CE1 4.3Å; F29-Y36 HydrophobicContact CG-CG 4.4Å; Y36-Q38 HydrophobicContact CE2-CB 4.08Å
37D97.8Very high95.8Very high79 Ų7952.1 Ų52.142%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-97.6139.5167.1-66.4-28.8000109.7K10 P11 V12 L13K10-D37 WeakPolarHBondContact CD-OD1 3.36Å; K10-D37 IonicContact NZ-OD1 3.1Å; K10-D37 PolarHBondContact NZ-OD1 2.8Å; P11-D37 PolarHBondContact O-N 2.73Å; V12-D37 CarbonylContact C-O 3.54Å; V12-D37 WeakPolarHBondContact CA-O 3.14Å; L13-D37 PolarHBondContact N-O 3.1Å
38Q96.8Very high95.6Very high37 Ų3752.3 Ų52.317%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-105.9120.5177.7-175.9157.3-52.700111L13 Y36 D213L13-Q38 WeakPolarHBondContact O-CA 3.42Å; Y36-Q38 HydrophobicContact CE2-CB 4.08Å; Q38-D213 PolarHBondContact NE2-OD1 2.89Å
39V97.8Very high95.5Very high65 Ų6555.9 Ų55.939%0.39432%0.322SS..EExtended strand (participates in β ladder)trans-98.4116.8168.3178.10000108.1V12 L13 H14 G15V12-V39 HydrophobicContact CG1-CB 4.39Å; V12-V39 HydrophobicContact CG1-CG2 3.6Å; L13-V39 PolarHBondContact O-N 3.48Å; H14-V39 WeakPolarHBondContact CA-O 3.47Å; G15-V39 PolarHBondContact N-O 3.36Å
40A97.4Very high95.5Very high48 Ų4856.7 Ų56.740%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-74.3129-178.800000111.4G15 D213G15-A40 CarbonylContact O-C 3.36Å; G15-A40 WeakPolarHBondContact O-CA 3.47Å; A40-D213 HydrophobicContact CB-CB 3.51Å
41V97.6Very high95.4Very high6 Ų658.6 Ų58.64%0.03633%0.331CS..  trans-119.197.4174.5-176.50000107.7H14 G15 Y16 L43 Q49 Q50 Y55 V64H14-V41 HydrophobicContact CB-CG2 4.06Å; G15-V41 PolarHBondContact O-N 3.06Å; Y16-V41 WeakPolarHBondContact CB-O 3.46Å; Y16-V41 WeakPolarHBondContact CD2-O 3.37Å; V41-L43 HydrophobicContact CG1-CD2 4.3Å; V41-L43 PolarHBondContact O-N 2.84Å; V41-Q49 HydrophobicContact CG1-CB 3.95Å; V41-Q50 HydrophobicContact CG1-CB 4.13Å; V41-Y55 HydrophobicContact CB-CE2 4.34Å; V41-Y55 HydrophobicContact CG1-CD2 4.08Å; V41-Y55 HydrophobicContact CG1-CE2 3.98Å; V41-Y55 HydrophobicContact CG2-CD2 3.96Å; V41-Y55 HydrophobicContact CG2-CE2 3.52Å; V41-V64 HydrophobicContact CB-CG1 3.77Å; V41-V64 HydrophobicContact CG1-CG1 3.99Å; V41-V64 HydrophobicContact CG2-CG1 4.16Å
42N96.7Very high95.3Very high50 Ų5060.3 Ų60.327%0.26734%0.342SS..  trans-72115.5-177.1-164.7-48.4000110.8I44 K45 Q49N42-I44 VanDerWaalsContact C-N 3.29Å; N42-I44 PolarHBondContact O-N 3.16Å; N42-I44 PolarHBondContact OD1-N 3.41Å; N42-K45 HydrophobicContact CB-CB 4.08Å; N42-K45 VanDerWaalsContact CG-CB 3.44Å; N42-K45 WeakPolarHBondContact OD1-CB 3.29Å; N42-K45 PolarHBondContact OD1-N 2.93Å; N42-Q49 HydrophobicContact CB-CG 4.32Å; N42-Q49 PolarHBondContact O-N 3.04Å
43L95.1Very high95.2Very high23 Ų2365.5 Ų65.512%0.1237%0.367CS..SBendtrans-81.2-5.5-174.5-54.5-178000114.6Y16 V41 Q50 V64 L121Y16-L43 HydrophobicContact CD1-CB 4.27Å; Y16-L43 HydrophobicContact CD1-CD1 3.59Å; Y16-L43 HydrophobicContact CD1-CG 3.77Å; Y16-L43 HydrophobicContact CD2-CG 4.43Å; Y16-L43 HydrophobicContact CE1-CB 4.38Å; Y16-L43 HydrophobicContact CE1-CD1 4.33Å; Y16-L43 HydrophobicContact CE1-CG 4.38Å; Y16-L43 HydrophobicContact CG-CD1 3.99Å; Y16-L43 HydrophobicContact CG-CG 3.8Å; V41-L43 HydrophobicContact CG1-CD2 4.3Å; V41-L43 PolarHBondContact O-N 2.84Å; L43-Q50 HydrophobicContact CD2-CB 4.01Å; L43-Q50 HydrophobicContact CD2-CG 4.06Å; L43-V64 HydrophobicContact CD1-CG2 3.83Å; L43-V64 HydrophobicContact CD2-CG1 4.24Å; L43-V64 HydrophobicContact CD2-CG2 4.02Å; L43-V64 HydrophobicContact CG-CG2 4.38Å; L43-L121 HydrophobicContact CB-CD2 3.9Å; L43-L121 WeakPolarHBondContact O-CD2 3.44Å
44I91.5Very high95.1Very high96 Ų9670.5 Ų70.549%0.49237%0.373SS..SBendtrans-121.1-45.1-172.6-56.4177.3000111.3N42N42-I44 VanDerWaalsContact C-N 3.29Å; N42-I44 PolarHBondContact O-N 3.16Å; N42-I44 PolarHBondContact OD1-N 3.41Å
45K84.6Confident95.1Very high120 Ų12070 Ų7052%0.52237%0.37SS..G310 helixtrans-61.7139.4-177.8-165.3-168.4170.7-175.90110.4N42 G47 G48N42-K45 HydrophobicContact CB-CB 4.08Å; N42-K45 VanDerWaalsContact CG-CB 3.44Å; N42-K45 WeakPolarHBondContact OD1-CB 3.29Å; N42-K45 PolarHBondContact OD1-N 2.93Å; K45-G47 PolarHBondContact O-N 3.18Å; K45-G47 VanDerWaalsContact O-N 3.13Å; K45-G48 PolarHBondContact O-N 2.99Å
46D87.6Confident95.1Very high135 Ų13565.7 Ų65.772%0.72235%0.348SS*.G310 helixtrans55.729.7175.4-49.2-39.8000114.1G48D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.37Å
47G88.3Confident95Very high55 Ų5569.2 Ų69.257%0.56738%0.375SS*.G310 helixtrans83.7-3.3-177.500000114.6K45 L51K45-G47 PolarHBondContact O-N 3.18Å; K45-G47 VanDerWaalsContact O-N 3.13Å; G47-L51 VanDerWaalsContact O-CD1 3.28Å; G47-L51 WeakPolarHBondContact O-CD1 3.43Å
48G94.9Very high94.9Very high4 Ų467.2 Ų67.24%0.04136%0.364CS..  trans107.4114.3176.900000112.8K45 D46 Q50 L51K45-G48 PolarHBondContact O-N 2.99Å; D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.37Å; G48-Q50 PolarHBondContact O-N 2.71Å; G48-L51 WeakPolarHBondContact O-CB 3.43Å; G48-L51 PolarHBondContact O-N 2.83Å
49Q97Very high95Very high74 Ų7465.6 Ų65.635%0.34636%0.357SS..G310 helixtrans-63.3-23.2-179.5-68.8-178.4-32.500113.2V41 N42 L51 T52 Y55V41-Q49 HydrophobicContact CG1-CB 3.95Å; N42-Q49 HydrophobicContact CB-CG 4.32Å; N42-Q49 PolarHBondContact O-N 3.04Å; Q49-L51 PolarHBondContact O-N 2.8Å; Q49-T52 WeakPolarHBondContact O-CB 3.48Å; Q49-T52 WeakPolarHBondContact O-CG2 3.32Å; Q49-T52 PolarHBondContact O-N 3.36Å; Q49-T52 PolarHBondContact O-OG1 3.19Å; Q49-Y55 WeakPolarHBondContact O-CB 3.42Å
50Q97.3Very high95Very high17 Ų1767.2 Ų67.28%0.07937%0.369CS..G310 helixtrans-64.5-14.9173.878.3-72.9-0.500113.7V41 L43 G48 Y55 Q62V41-Q50 HydrophobicContact CG1-CB 4.13Å; L43-Q50 HydrophobicContact CD2-CB 4.01Å; L43-Q50 HydrophobicContact CD2-CG 4.06Å; G48-Q50 PolarHBondContact O-N 2.71Å; Q50-Y55 VanDerWaalsContact CA-CD1 3.49Å; Q50-Y55 HydrophobicContact CB-CD1 3.89Å; Q50-Y55 HydrophobicContact CB-CE1 3.98Å; Q50-Y55 WeakPolarHBondContact O-CD1 3.49Å; Q50-Q62 HydrophobicContact CG-CB 4.49Å; Q50-Q62 WeakPolarHBondContact CG-O 3.47Å; Q50-Q62 WeakPolarHBondContact O-CB 3.46Å; Q50-Q62 WeakPolarHBondContact O-CG 3.47Å
51L96.8Very high95Very high79 Ų7970.3 Ų70.341%0.41438%0.376SS..G310 helixtrans-93.6-4.6179.3-54.1-178000113.2G47 G48 Q49 K56 Q62G47-L51 VanDerWaalsContact O-CD1 3.28Å; G47-L51 WeakPolarHBondContact O-CD1 3.43Å; G48-L51 WeakPolarHBondContact O-CB 3.43Å; G48-L51 PolarHBondContact O-N 2.83Å; Q49-L51 PolarHBondContact O-N 2.8Å; L51-K56 WeakPolarHBondContact O-CE 3.39Å; L51-K56 PolarHBondContact O-NZ 2.98Å; L51-Q62 HydrophobicContact CD2-CB 4.22Å
52T96.8Very high95Very high64 Ų6473.4 Ų73.439%0.39339%0.391SS..SBendtrans-68.4149.4177.762.80000111.3Q49 Q54 Y55 K56Q49-T52 WeakPolarHBondContact O-CB 3.48Å; Q49-T52 WeakPolarHBondContact O-CG2 3.32Å; Q49-T52 PolarHBondContact O-N 3.36Å; Q49-T52 PolarHBondContact O-OG1 3.19Å; T52-Q54 PolarHBondContact O-N 3.43Å; T52-Y55 PolarHBondContact O-N 2.84Å; T52-Y55 VanDerWaalsContact O-N 3.14Å; T52-Y55 WeakPolarHBondContact OG1-CB 3.42Å; T52-Y55 PolarHBondContact OG1-N 3.06Å; T52-K56 WeakPolarHBondContact O-CG 3.2Å; T52-K56 PolarHBondContact O-N 2.86Å
53E96.6Very high95.1Very high132 Ų13273.9 Ų73.962%0.61739%0.391SS*.Hα-helixtrans-60.4-35176.1-63.4-51.2123.100112.4K56 T57E53-K56 PolarHBondContact O-N 3.5Å; E53-K56 IonicContact OE1-NZ 2.68Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; E53-T57 PolarHBondContact O-N 2.9Å; E53-T57 PolarHBondContact O-OG1 2.79Å; E53-T57 VanDerWaalsContact O-OG1 3.06Å
54Q94.9Very high95.2Very high169 Ų16973.4 Ų73.479%0.7939%0.389SS*.Hα-helixtrans-59.1-48.9173.9-174.6-179.32.100111.1T52 T57T52-Q54 PolarHBondContact O-N 3.43Å; Q54-T57 WeakPolarHBondContact O-CB 3.35Å; Q54-T57 PolarHBondContact O-N 3.2Å
55Y96.9Very high95.6Very high16 Ų1669.1 Ų69.16%0.06337%0.367CS..Hα-helixtrans-70.9-34.1180-166.4-94.3000112.9H14 V41 Q49 Q50 T52 T57 L58 N59 Q63 V64H14-Y55 HydrophobicContact CB-CE2 4.03Å; V41-Y55 HydrophobicContact CB-CE2 4.34Å; V41-Y55 HydrophobicContact CG1-CD2 4.08Å; V41-Y55 HydrophobicContact CG1-CE2 3.98Å; V41-Y55 HydrophobicContact CG2-CD2 3.96Å; V41-Y55 HydrophobicContact CG2-CE2 3.52Å; Q49-Y55 WeakPolarHBondContact O-CB 3.42Å; Q50-Y55 VanDerWaalsContact CA-CD1 3.49Å; Q50-Y55 HydrophobicContact CB-CD1 3.89Å; Q50-Y55 HydrophobicContact CB-CE1 3.98Å; Q50-Y55 WeakPolarHBondContact O-CD1 3.49Å; T52-Y55 PolarHBondContact O-N 2.84Å; T52-Y55 VanDerWaalsContact O-N 3.14Å; T52-Y55 WeakPolarHBondContact OG1-CB 3.42Å; T52-Y55 PolarHBondContact OG1-N 3.06Å; Y55-T57 PolarHBondContact O-N 3Å; Y55-L58 HydrophobicContact CD2-CD2 4.21Å; Y55-L58 HydrophobicContact CE2-CD2 3.79Å; Y55-L58 WeakPolarHBondContact O-CA 3.11Å; Y55-L58 WeakPolarHBondContact O-CB 3.47Å; Y55-L58 PolarHBondContact O-N 3.06Å; Y55-N59 HydrophobicContact CE1-CB 4.02Å; Y55-N59 PolarHBondContact O-N 3.05Å; Y55-Q63 WeakPolarHBondContact CE1-O 3.33Å; Y55-Q63 PolarHBondContact OH-O 3.37Å; Y55-V64 VanDerWaalsContact OH-CG1 3.25Å; Y55-V64 WeakPolarHBondContact OH-CG1 3.38Å
56K97Very high96.2Very high59 Ų5963.4 Ų63.426%0.25734%0.343SS..Hα-helixtrans-60-32.1175.4-75.1173.1-171.1165.30112.9L51 T52 E53 L58 N59 P60 Q62L51-K56 WeakPolarHBondContact O-CE 3.39Å; L51-K56 PolarHBondContact O-NZ 2.98Å; T52-K56 WeakPolarHBondContact O-CG 3.2Å; T52-K56 PolarHBondContact O-N 2.86Å; E53-K56 PolarHBondContact O-N 3.5Å; E53-K56 IonicContact OE1-NZ 2.68Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; K56-L58 VanDerWaalsContact C-N 3.29Å; K56-N59 CarbonylContact O-C 3.57Å; K56-N59 VanDerWaalsContact O-C 3.31Å; K56-P60 WeakPolarHBondContact O-CA 3.49Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å; K56-P60 VanDerWaalsContact O-N 3.15Å; K56-Q62 HydrophobicContact CD-CG 4.38Å; K56-Q62 HydrophobicContact CG-CG 3.62Å
57T95.9Very high96.7Very high125 Ų12557 Ų5777%0.76731%0.308SS*.Hα-helixtrans-65-35.9174.4-550000111.2E53 Q54 Y55E53-T57 PolarHBondContact O-N 2.9Å; E53-T57 PolarHBondContact O-OG1 2.79Å; E53-T57 VanDerWaalsContact O-OG1 3.06Å; Q54-T57 WeakPolarHBondContact O-CB 3.35Å; Q54-T57 PolarHBondContact O-N 3.2Å; Y55-T57 PolarHBondContact O-N 3Å
58L95.6Very high97.2Very high37 Ų3758.1 Ų58.119%0.19430%0.299CS..Hα-helixtrans-77.1-45.7176.9-172.779.6000112.3H14 Y55 K56 A66 E68 T73H14-L58 HydrophobicContact CB-CD2 3.86Å; H14-L58 VanDerWaalsContact CD2-CD2 3.43Å; H14-L58 WeakPolarHBondContact CD2-CD2 3.18Å; Y55-L58 HydrophobicContact CD2-CD2 4.21Å; Y55-L58 HydrophobicContact CE2-CD2 3.79Å; Y55-L58 WeakPolarHBondContact O-CA 3.11Å; Y55-L58 WeakPolarHBondContact O-CB 3.47Å; Y55-L58 PolarHBondContact O-N 3.06Å; K56-L58 VanDerWaalsContact C-N 3.29Å; L58-A66 HydrophobicContact CD2-CB 3.67Å; L58-A66 HydrophobicContact CG-CB 3.97Å; L58-E68 HydrophobicContact CD1-CG 4.09Å; L58-T73 HydrophobicContact CD1-CG2 3.56Å; L58-T73 HydrophobicContact CG-CG2 4.02Å
59N98.1Very high97.4Very high3 Ų358.2 Ų58.22%0.01630%0.298CS..  trans-140.2101.7176.7-174.80.8000111Y55 K56 M61 Q62 Q63 A66Y55-N59 HydrophobicContact CE1-CB 4.02Å; Y55-N59 PolarHBondContact O-N 3.05Å; K56-N59 CarbonylContact O-C 3.57Å; K56-N59 VanDerWaalsContact O-C 3.31Å; N59-M61 PolarHBondContact O-N 3.17Å; N59-M61 VanDerWaalsContact O-N 3.1Å; N59-M61 WeakPolarHBondContact OD1-CB 3.22Å; N59-M61 PolarHBondContact OD1-N 3.07Å; N59-M61 VanDerWaalsContact OD1-N 3.11Å; N59-Q62 PolarHBondContact O-N 3.09Å; N59-Q63 PolarHBondContact ND2-O 3.32Å; N59-A66 HydrophobicContact CB-CB 4.2Å
60P97.4Very high97.4Very high100 Ų10057.3 Ų57.365%0.64930%0.296SS*.THydrogen-bonded Turntrans-59.1-25.1179.9-27.335.5000114.3K56 Q62K56-P60 WeakPolarHBondContact O-CA 3.49Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å; K56-P60 VanDerWaalsContact O-N 3.15Å; P60-Q62 PolarHBondContact O-N 2.94Å
61M97.8Very high97.3Very high112 Ų11260.7 Ų60.755%0.55234%0.336SS*.THydrogen-bonded Turntrans-72.9-4.2175.3-75.4-62.7-6100113.5N59 Q63N59-M61 PolarHBondContact O-N 3.17Å; N59-M61 VanDerWaalsContact O-N 3.1Å; N59-M61 WeakPolarHBondContact OD1-CB 3.22Å; N59-M61 PolarHBondContact OD1-N 3.07Å; N59-M61 VanDerWaalsContact OD1-N 3.11Å; M61-Q63 VanDerWaalsContact C-N 3.26Å; M61-Q63 WeakPolarHBondContact O-CG 3.41Å; M61-Q63 PolarHBondContact O-N 3.13Å
62Q97.8Very high97.3Very high72 Ų7260 Ų6034%0.33633%0.334SS..  trans56.342.2175.4-62.5161.353.100111.8Q50 L51 K56 N59 P60Q50-Q62 HydrophobicContact CG-CB 4.49Å; Q50-Q62 WeakPolarHBondContact CG-O 3.47Å; Q50-Q62 WeakPolarHBondContact O-CB 3.46Å; Q50-Q62 WeakPolarHBondContact O-CG 3.47Å; L51-Q62 HydrophobicContact CD2-CB 4.22Å; K56-Q62 HydrophobicContact CD-CG 4.38Å; K56-Q62 HydrophobicContact CG-CG 3.62Å; N59-Q62 PolarHBondContact O-N 3.09Å; P60-Q62 PolarHBondContact O-N 2.94Å
63Q98.4Very high97.3Very high59 Ų5960.2 Ų60.228%0.27634%0.336SS..  trans-130.9156.2-176.5-75.6169.9-3.800110.8Y55 N59 M61Y55-Q63 WeakPolarHBondContact CE1-O 3.33Å; Y55-Q63 PolarHBondContact OH-O 3.37Å; N59-Q63 PolarHBondContact ND2-O 3.32Å; M61-Q63 VanDerWaalsContact C-N 3.26Å; M61-Q63 WeakPolarHBondContact O-CG 3.41Å; M61-Q63 PolarHBondContact O-N 3.13Å
64V98.5Very high97.4Very high14 Ų1456 Ų569%0.08532%0.317CS..SBendtrans-106.5147.6165.5-67.70000109.4V41 L43 Y55V41-V64 HydrophobicContact CB-CG1 3.77Å; V41-V64 HydrophobicContact CG1-CG1 3.99Å; V41-V64 HydrophobicContact CG2-CG1 4.16Å; L43-V64 HydrophobicContact CD1-CG2 3.83Å; L43-V64 HydrophobicContact CD2-CG1 4.24Å; L43-V64 HydrophobicContact CD2-CG2 4.02Å; L43-V64 HydrophobicContact CG-CG2 4.38Å; Y55-V64 VanDerWaalsContact OH-CG1 3.25Å; Y55-V64 WeakPolarHBondContact OH-CG1 3.38Å
65P98.6Very high97.5Very high5 Ų549.9 Ų49.93%0.03229%0.293CS..  cis-85.2158.13.734.2-34.1000113.8L13 H14 V25L13-P65 HydrophobicContact CD1-CB 3.59Å; H14-P65 VanDerWaalsContact O-CA 3.31Å; H14-P65 WeakPolarHBondContact O-CA 3.39Å; V25-P65 HydrophobicContact CG2-CB 4.35Å; V25-P65 HydrophobicContact CG2-CG 3.7Å
66A98.6Very high97.6Very high0 Ų053.9 Ų53.90%031%0.312CS..EExtended strand (participates in β ladder)trans-124.1140.4154.800000108.1H14 L58 N59 L74H14-A66 HydrophobicContact CB-CB 4.32Å; H14-A66 WeakPolarHBondContact CB-O 3.41Å; H14-A66 PolarHBondContact N-O 2.98Å; H14-A66 PolarHBondContact O-N 2.92Å; L58-A66 HydrophobicContact CD2-CB 3.67Å; L58-A66 HydrophobicContact CG-CB 3.97Å; N59-A66 HydrophobicContact CB-CB 4.2Å; A66-L74 CarbonylContact C-O 3.53Å; A66-L74 WeakPolarHBondContact CA-O 3.35Å
67V98.6Very high97.7Very high0 Ų051.4 Ų51.40%030%0.303CS..EExtended strand (participates in β ladder)trans-128121.4-174175.80000109.8V12 L13 V25 F29 I69 T73 L74 V80V12-V67 WeakPolarHBondContact O-CA 3.37Å; L13-V67 HydrophobicContact CD1-CG2 3.63Å; V25-V67 HydrophobicContact CG1-CG2 3.92Å; F29-V67 HydrophobicContact CZ-CG1 3.85Å; V67-I69 HydrophobicContact CG1-CB 4Å; V67-I69 HydrophobicContact CG1-CG2 3.96Å; V67-T73 CarbonylContact O-C 3.59Å; V67-T73 WeakPolarHBondContact O-CA 3.49Å; V67-L74 PolarHBondContact N-O 3.15Å; V67-L74 PolarHBondContact O-N 3.17Å; V67-V80 HydrophobicContact CB-CG1 4.18Å; V67-V80 HydrophobicContact CB-CG2 4.29Å; V67-V80 HydrophobicContact CG1-CG1 4.41Å; V67-V80 HydrophobicContact CG2-CG1 3.79Å; V67-V80 HydrophobicContact CG2-CG2 4.15Å
68E98.4Very high97.8Very high79 Ų7946.4 Ų46.437%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-91.3120168.7-60.5176.4-103.100108.5P11 V12 H14 L58 V72 T73P11-E68 CarbonylContact C-O 3.58Å; P11-E68 VanDerWaalsContact CA-O 3.26Å; P11-E68 WeakPolarHBondContact CA-O 3.4Å; V12-E68 HydrophobicContact CB-CB 4.25Å; V12-E68 PolarHBondContact N-O 2.7Å; V12-E68 PolarHBondContact O-N 3.35Å; H14-E68 IonicContact CD2-OE1 2.8Å; H14-E68 IonicContact CE1-OE1 3.64Å; H14-E68 IonicContact NE2-OE1 3.69Å; H14-E68 PolarHBondContact NE2-OE1 3.48Å; L58-E68 HydrophobicContact CD1-CG 4.09Å; E68-V72 WeakPolarHBondContact CA-O 3.49Å; E68-T73 HydrophobicContact CG-CG2 4.25Å
69I97.9Very high97.9Very high6 Ų646.9 Ų46.93%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-155.9136.9-173.9-170.1160.6000109.5P11 F29 V67 G71 V72 L74 Y83 R88P11-I69 HydrophobicContact CB-CB 4.29Å; P11-I69 HydrophobicContact CB-CD1 4.04Å; P11-I69 HydrophobicContact CB-CG1 4.15Å; P11-I69 HydrophobicContact CG-CD1 3.78Å; P11-I69 HydrophobicContact CG-CG1 3.92Å; F29-I69 HydrophobicContact CE1-CD1 4.27Å; V67-I69 HydrophobicContact CG1-CB 4Å; V67-I69 HydrophobicContact CG1-CG2 3.96Å; I69-G71 PolarHBondContact O-N 2.81Å; I69-V72 HydrophobicContact CG2-CG2 4.37Å; I69-V72 PolarHBondContact N-O 3.32Å; I69-V72 WeakPolarHBondContact O-CG2 3.42Å; I69-V72 PolarHBondContact O-N 3.46Å; I69-V72 VanDerWaalsContact O-O 3.07Å; I69-L74 HydrophobicContact CG2-CD1 4.15Å; I69-Y83 HydrophobicContact CD1-CE1 4.48Å; I69-Y83 HydrophobicContact CG1-CE1 4.33Å; I69-Y83 HydrophobicContact CG2-CD1 4.1Å; I69-Y83 HydrophobicContact CG2-CE1 3.76Å; I69-R88 VanDerWaalsContact CD1-NH2 3.28Å
70D96.6Very high98Very high56 Ų5646.8 Ų46.830%0.29928%0.28SS..THydrogen-bonded Turntrans51.333.8176.4-50.5-31.5000115.2V72 Y83 R88D70-V72 VanDerWaalsContact C-N 3.29Å; D70-V72 PolarHBondContact O-N 2.95Å; D70-Y83 WeakPolarHBondContact CB-OH 3.26Å; D70-Y83 WeakPolarHBondContact OD2-CE1 3.39Å; D70-Y83 PolarHBondContact OD2-OH 3.06Å; D70-R88 IonicContact OD1-CZ 2.7Å; D70-R88 IonicContact OD1-NH2 2.77Å; D70-R88 PolarHBondContact OD1-NH2 3.23Å; D70-R88 IonicContact OD2-CZ 3.86Å; D70-R88 IonicContact OD2-NH1 2.76Å; D70-R88 PolarHBondContact OD2-NH1 2.89Å; D70-R88 IonicContact OD2-NH2 2.8Å; D70-R88 PolarHBondContact OD2-NH2 3.41Å
71G96.2Very high98.1Very high88 Ų8842.1 Ų42.191%0.90725%0.249SC*.THydrogen-bonded Turntrans77.19.1-179.100000114.9I69I69-G71 PolarHBondContact O-N 2.81Å
72V96.6Very high98.1Very high64 Ų6439 Ų3939%0.38823%0.233SC..EExtended strand (participates in β ladder)trans-118.9157.4172.6-60.10000111.5E68 I69 D70 L74E68-V72 WeakPolarHBondContact CA-O 3.49Å; I69-V72 HydrophobicContact CG2-CG2 4.37Å; I69-V72 PolarHBondContact N-O 3.32Å; I69-V72 WeakPolarHBondContact O-CG2 3.42Å; I69-V72 PolarHBondContact O-N 3.46Å; I69-V72 VanDerWaalsContact O-O 3.07Å; D70-V72 VanDerWaalsContact C-N 3.29Å; D70-V72 PolarHBondContact O-N 2.95Å; V72-L74 HydrophobicContact CG2-CD1 4.39Å; V72-L74 HydrophobicContact CG2-CD2 4.15Å; V72-L74 HydrophobicContact CG2-CG 3.98Å
73T97.8Very high98.2Very high69 Ų6938.4 Ų38.442%0.42323%0.229SC..EExtended strand (participates in β ladder)trans-109.9116.9168.7-52.90000109L58 V67 E68L58-T73 HydrophobicContact CD1-CG2 3.56Å; L58-T73 HydrophobicContact CG-CG2 4.02Å; V67-T73 CarbonylContact O-C 3.59Å; V67-T73 WeakPolarHBondContact O-CA 3.49Å; E68-T73 HydrophobicContact CG-CG2 4.25Å
74L98.4Very high98.1Very high42 Ų4235.6 Ų35.622%0.2222%0.215CC..EExtended strand (participates in β ladder)trans-106.7133.8178.4-60.5179.3000110.4A66 V67 I69 V72 V80 Y83A66-L74 CarbonylContact C-O 3.53Å; A66-L74 WeakPolarHBondContact CA-O 3.35Å; V67-L74 PolarHBondContact N-O 3.15Å; V67-L74 PolarHBondContact O-N 3.17Å; I69-L74 HydrophobicContact CG2-CD1 4.15Å; V72-L74 HydrophobicContact CG2-CD1 4.39Å; V72-L74 HydrophobicContact CG2-CD2 4.15Å; V72-L74 HydrophobicContact CG2-CG 3.98Å; L74-V80 HydrophobicContact CB-CG2 3.8Å; L74-Y83 HydrophobicContact CD1-CD1 3.59Å; L74-Y83 HydrophobicContact CD1-CD2 4.06Å; L74-Y83 HydrophobicContact CD1-CE1 4.17Å; L74-Y83 HydrophobicContact CD1-CG 3.51Å
75S96.4Very high98.1Very high42 Ų4236.2 Ų36.229%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-111.8-178.5165.5680000109.5
76Q98.4Very high98.1Very high99 Ų9942.9 Ų42.946%0.46325%0.249SC..SBendtrans65.7105.8-173.1-56.2-59.2-40.200113.2L78 A79 V80Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 2.69Å; Q76-A79 HydrophobicContact CB-CB 4.13Å; Q76-A79 WeakPolarHBondContact O-CB 3.38Å; Q76-A79 PolarHBondContact O-N 3.38Å; Q76-V80 PolarHBondContact O-N 3.48Å; Q76-V80 VanDerWaalsContact O-N 3.09Å
77S98.8Very high98.1Very high8 Ų846 Ų466%0.05627%0.268CS..Hα-helixtrans-52.3-37.9-172.957.70000114.8C21 R24 I81C21-S77 WeakPolarHBondContact O-CB 3.37Å; R24-S77 PolarHBondContact NH1-OG 2.75Å; S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 WeakPolarHBondContact O-CG1 3.38Å; S77-I81 PolarHBondContact O-N 2.87Å
78L98.9Very high98Very high19 Ų1948.2 Ų48.210%0.09928%0.277CS..Hα-helixtrans-74.1-30.8179.2-57.9-165000113.3Q76 I81 Q82 D109 A112 M165 C169Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 2.69Å; L78-I81 HydrophobicContact CD2-CD1 4.44Å; L78-Q82 WeakPolarHBondContact O-CB 3.33Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.36Å; L78-Q82 PolarHBondContact O-NE2 3.45Å; L78-D109 WeakPolarHBondContact CD1-OD1 3.33Å; L78-A112 HydrophobicContact CD1-CB 3.65Å; L78-A112 HydrophobicContact CD2-CB 4.29Å; L78-A112 HydrophobicContact CG-CB 4.01Å; L78-M165 HydrophobicContact CB-SD 4.38Å; L78-M165 HydrophobicContact CD2-CG 4.28Å; L78-M165 HydrophobicContact CD2-SD 4.04Å; L78-C169 VanDerWaalsContact CD2-SG 3.5Å
79A98.8Very high97.8Very high48 Ų4850 Ų5040%0.39730%0.295SS..Hα-helixtrans-69.7-42.4174.800000110.3Q76 I81 Q82 Y83Q76-A79 HydrophobicContact CB-CB 4.13Å; Q76-A79 WeakPolarHBondContact O-CB 3.38Å; Q76-A79 PolarHBondContact O-N 3.38Å; A79-I81 PolarHBondContact O-N 3.09Å; A79-Q82 PolarHBondContact O-N 2.97Å; A79-Y83 WeakPolarHBondContact O-CB 3.37Å; A79-Y83 PolarHBondContact O-N 3.03Å
80V98.8Very high97.6Very high1 Ų152.3 Ų52.31%0.00632%0.321CS..Hα-helixtrans-58.2-47.4173.3175.50000111.2V25 V67 L74 Q76 Q82 Y83 I84V25-V80 HydrophobicContact CG1-CG1 3.79Å; V25-V80 HydrophobicContact CG2-CB 4.17Å; V25-V80 HydrophobicContact CG2-CG1 3.93Å; V67-V80 HydrophobicContact CB-CG1 4.18Å; V67-V80 HydrophobicContact CB-CG2 4.29Å; V67-V80 HydrophobicContact CG1-CG1 4.41Å; V67-V80 HydrophobicContact CG2-CG1 3.79Å; V67-V80 HydrophobicContact CG2-CG2 4.15Å; L74-V80 HydrophobicContact CB-CG2 3.8Å; Q76-V80 PolarHBondContact O-N 3.48Å; Q76-V80 VanDerWaalsContact O-N 3.09Å; V80-Q82 PolarHBondContact O-N 2.98Å; V80-Y83 PolarHBondContact O-N 3.3Å; V80-I84 HydrophobicContact CG1-CD1 3.74Å; V80-I84 WeakPolarHBondContact O-CD1 3.4Å; V80-I84 VanDerWaalsContact O-CG1 3.27Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.33Å
81I98.9Very high97.5Very high1 Ų153.5 Ų53.51%0.00533%0.331CS..Hα-helixtrans-62.8-43.2180-68.9165.1000111.5R24 A28 S77 L78 A79 I84 D85 L93 M165 I168R24-I81 HydrophobicContact CB-CD1 3.92Å; A28-I81 HydrophobicContact CB-CG1 3.82Å; A28-I81 HydrophobicContact CB-CG2 4.4Å; S77-I81 WeakPolarHBondContact O-CD1 3.37Å; S77-I81 WeakPolarHBondContact O-CG1 3.38Å; S77-I81 PolarHBondContact O-N 2.87Å; L78-I81 HydrophobicContact CD2-CD1 4.44Å; A79-I81 PolarHBondContact O-N 3.09Å; I81-I84 PolarHBondContact O-N 3.48Å; I81-D85 WeakPolarHBondContact O-CB 3.31Å; I81-D85 PolarHBondContact O-N 3.32Å; I81-L93 HydrophobicContact CG2-CB 4.41Å; I81-L93 HydrophobicContact CG2-CD1 3.76Å; I81-M165 HydrophobicContact CB-SD 4.15Å; I81-M165 HydrophobicContact CD1-CG 4.47Å; I81-M165 HydrophobicContact CG2-CB 4.38Å; I81-M165 HydrophobicContact CG2-CG 3.91Å; I81-M165 HydrophobicContact CG2-SD 3.76Å; I81-I168 HydrophobicContact CD1-CG2 3.78Å; I81-I168 HydrophobicContact CG2-CD1 4.46Å
82Q98.8Very high97.5Very high46 Ų4656.5 Ų56.522%0.21532%0.315CS..Hα-helixtrans-64.6-43.9176.9-76.1177.797.700111.8L78 A79 V80 I84 D85 E86 L94 M165L78-Q82 WeakPolarHBondContact O-CB 3.33Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.36Å; L78-Q82 PolarHBondContact O-NE2 3.45Å; A79-Q82 PolarHBondContact O-N 2.97Å; V80-Q82 PolarHBondContact O-N 2.98Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3.42Å; Q82-D85 PolarHBondContact O-N 2.85Å; Q82-D85 VanDerWaalsContact O-N 3.1Å; Q82-E86 WeakPolarHBondContact O-CB 3.37Å; Q82-E86 VanDerWaalsContact O-CG 3.29Å; Q82-E86 WeakPolarHBondContact O-CG 3.49Å; Q82-E86 PolarHBondContact O-N 2.86Å; Q82-L94 HydrophobicContact CG-CD1 3.99Å; Q82-M165 HydrophobicContact CG-SD 4.26Å
83Y98.8Very high97.6Very high60 Ų6053.6 Ų53.624%0.23530%0.297CS..Hα-helixtrans-57-47.1175.1-179-101.8000111.5I69 D70 L74 A79 V80 D85 E86 T87I69-Y83 HydrophobicContact CD1-CE1 4.48Å; I69-Y83 HydrophobicContact CG1-CE1 4.33Å; I69-Y83 HydrophobicContact CG2-CD1 4.1Å; I69-Y83 HydrophobicContact CG2-CE1 3.76Å; D70-Y83 WeakPolarHBondContact CB-OH 3.26Å; D70-Y83 WeakPolarHBondContact OD2-CE1 3.39Å; D70-Y83 PolarHBondContact OD2-OH 3.06Å; L74-Y83 HydrophobicContact CD1-CD1 3.59Å; L74-Y83 HydrophobicContact CD1-CD2 4.06Å; L74-Y83 HydrophobicContact CD1-CE1 4.17Å; L74-Y83 HydrophobicContact CD1-CG 3.51Å; A79-Y83 WeakPolarHBondContact O-CB 3.37Å; A79-Y83 PolarHBondContact O-N 3.03Å; V80-Y83 PolarHBondContact O-N 3.3Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 2.98Å; Y83-E86 PolarHBondContact O-N 2.88Å; Y83-T87 HydrophobicContact CD2-CG2 4.12Å; Y83-T87 HydrophobicContact CE1-CG2 4.31Å; Y83-T87 HydrophobicContact CE2-CG2 3.8Å; Y83-T87 WeakPolarHBondContact O-CB 3.31Å; Y83-T87 WeakPolarHBondContact O-CG2 3.47Å; Y83-T87 PolarHBondContact O-N 2.98Å; Y83-T87 PolarHBondContact O-OG1 3.21Å
84I97.8Very high97.7Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-60.2-43176.1-69.2161.2000111F29 K32 I34 V80 I81 Q82 E86 T87 R88F29-I84 HydrophobicContact CD1-CD1 3.56Å; F29-I84 HydrophobicContact CD1-CG1 4.37Å; F29-I84 HydrophobicContact CE1-CD1 3.24Å; F29-I84 HydrophobicContact CE1-CG1 3.91Å; F29-I84 HydrophobicContact CZ-CD1 4.07Å; K32-I84 HydrophobicContact CB-CG2 4.26Å; K32-I84 HydrophobicContact CD-CG2 4.34Å; K32-I84 HydrophobicContact CG-CG2 3.72Å; I34-I84 HydrophobicContact CD1-CG1 4.47Å; I34-I84 HydrophobicContact CD1-CG2 3.5Å; V80-I84 HydrophobicContact CG1-CD1 3.74Å; V80-I84 WeakPolarHBondContact O-CD1 3.4Å; V80-I84 VanDerWaalsContact O-CG1 3.27Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.33Å; I81-I84 PolarHBondContact O-N 3.48Å; Q82-I84 VanDerWaalsContact C-N 3.32Å; Q82-I84 PolarHBondContact O-N 3.42Å; I84-E86 VanDerWaalsContact C-N 3.35Å; I84-T87 PolarHBondContact O-N 3.32Å; I84-R88 WeakPolarHBondContact O-CB 3.28Å; I84-R88 PolarHBondContact O-N 3.14Å
85D98.3Very high97.6Very high27 Ų2750.7 Ų50.714%0.14428%0.282CS..Hα-helixtrans-66.2-36.7-179.9-16242.2000112.9K32 I81 Q82 Y83 L93 L94K32-D85 WeakPolarHBondContact CE-OD1 3.37Å; K32-D85 IonicContact NZ-OD1 2.71Å; K32-D85 PolarHBondContact NZ-OD1 3.12Å; I81-D85 WeakPolarHBondContact O-CB 3.31Å; I81-D85 PolarHBondContact O-N 3.32Å; Q82-D85 PolarHBondContact O-N 2.85Å; Q82-D85 VanDerWaalsContact O-N 3.1Å; Y83-D85 VanDerWaalsContact C-N 3.32Å; Y83-D85 PolarHBondContact O-N 2.98Å; D85-L93 HydrophobicContact CB-CB 4.2Å; D85-L93 HydrophobicContact CB-CG 4.44Å; D85-L93 VanDerWaalsContact CG-N 3.35Å; D85-L93 PolarHBondContact OD1-N 3.1Å; D85-L93 PolarHBondContact OD2-N 3.24Å; D85-L94 PolarHBondContact OD2-N 3.17Å
86E98.4Very high97.6Very high145 Ų14551.8 Ų51.868%0.67829%0.293SS*.Hα-helixtrans-74.3-29.9178.8-72.3169.5-17400113.1Q82 Y83 I84Q82-E86 WeakPolarHBondContact O-CB 3.37Å; Q82-E86 VanDerWaalsContact O-CG 3.29Å; Q82-E86 WeakPolarHBondContact O-CG 3.49Å; Q82-E86 PolarHBondContact O-N 2.86Å; Y83-E86 PolarHBondContact O-N 2.88Å; I84-E86 VanDerWaalsContact C-N 3.35Å
87T97.8Very high97.6Very high66 Ų6651.1 Ų51.141%0.40529%0.292SS..Hα-helixtrans-108.2-19.8-169.456.20000114.4Y83 I84Y83-T87 HydrophobicContact CD2-CG2 4.12Å; Y83-T87 HydrophobicContact CE1-CG2 4.31Å; Y83-T87 HydrophobicContact CE2-CG2 3.8Å; Y83-T87 WeakPolarHBondContact O-CB 3.31Å; Y83-T87 WeakPolarHBondContact O-CG2 3.47Å; Y83-T87 PolarHBondContact O-N 2.98Å; Y83-T87 PolarHBondContact O-OG1 3.21Å; I84-T87 PolarHBondContact O-N 3.32Å
88R96.8Very high97.5Very high46 Ų4654.6 Ų54.617%0.17432%0.315CS..SBendtrans-111.1136.2-179.1-79.176.3178166.411.5112.4K32 I34 I69 D70 I84K32-R88 HydrophobicContact CD-CB 4.37Å; K32-R88 PolarHBondContact NZ-O 3.39Å; I34-R88 HydrophobicContact CD1-CB 4.28Å; I34-R88 HydrophobicContact CD1-CG 3.75Å; I34-R88 HydrophobicContact CG1-CG 4.23Å; I69-R88 VanDerWaalsContact CD1-NH2 3.28Å; D70-R88 IonicContact OD1-CZ 2.7Å; D70-R88 IonicContact OD1-NH2 2.77Å; D70-R88 PolarHBondContact OD1-NH2 3.23Å; D70-R88 IonicContact OD2-CZ 3.86Å; D70-R88 IonicContact OD2-NH1 2.76Å; D70-R88 PolarHBondContact OD2-NH1 2.89Å; D70-R88 IonicContact OD2-NH2 2.8Å; D70-R88 PolarHBondContact OD2-NH2 3.41Å; I84-R88 WeakPolarHBondContact O-CB 3.28Å; I84-R88 PolarHBondContact O-N 3.14Å
89P94.2Very high97.5Very high118 Ų11861.5 Ų61.577%0.76634%0.344SS*.  trans-65.6172.5170.732.6-36.3000110.9
90G93.1Very high97.5Very high54 Ų5460.1 Ų60.156%0.55733%0.333SS*.SBendtrans109.8-163.5179.500000112.7R92G90-R92 PolarHBondContact O-N 3.18Å
91P94.9Very high97.5Very high81 Ų8163.9 Ų63.953%0.52635%0.347SS..SBendtrans-55.3136.6-178.6-23.633.6000111K32K32-P91 WeakPolarHBondContact CE-O 3.48Å; K32-P91 PolarHBondContact NZ-O 3.39Å
92R97.4Very high97.5Very high151 Ų15166.6 Ų66.657%0.5737%0.37SS*.  trans-75.1133.5176.2-68.9-178.2177.4159.2-3.3109.6G90 L94 A96G90-R92 PolarHBondContact O-N 3.18Å; R92-L94 WeakPolarHBondContact CB-O 3.37Å; R92-A96 VanDerWaalsContact NH1-CB 3.26Å
93L98.6Very high97.5Very high2 Ų268 Ų681%0.0138%0.376CS..SBendtrans-92.1-17.7173-51.9-176.8000111.2A28 L31 K32 I81 D85 S164 M165 I168A28-L93 HydrophobicContact CB-CD1 3.93Å; L31-L93 HydrophobicContact CB-CD2 4.3Å; L31-L93 HydrophobicContact CD1-CD2 3.95Å; K32-L93 HydrophobicContact CG-CD1 4.42Å; I81-L93 HydrophobicContact CG2-CB 4.41Å; I81-L93 HydrophobicContact CG2-CD1 3.76Å; D85-L93 HydrophobicContact CB-CB 4.2Å; D85-L93 HydrophobicContact CB-CG 4.44Å; D85-L93 VanDerWaalsContact CG-N 3.35Å; D85-L93 PolarHBondContact OD1-N 3.1Å; D85-L93 PolarHBondContact OD2-N 3.24Å; L93-S164 CarbonylContact O-C 3.55Å; L93-S164 WeakPolarHBondContact O-CA 3.12Å; L93-M165 PolarHBondContact O-N 3.14Å; L93-I168 HydrophobicContact CD1-CD1 3.94Å; L93-I168 HydrophobicContact CD2-CD1 4.01Å; L93-I168 HydrophobicContact CG-CD1 4.38Å
94L98.4Very high97.5Very high15 Ų1565.2 Ų65.28%0.07937%0.365CS..SBendtrans-121.3127.6166.7-67.9178.1000110.5Q82 D85 R92 R101 V104 R105 M165Q82-L94 HydrophobicContact CG-CD1 3.99Å; D85-L94 PolarHBondContact OD2-N 3.17Å; R92-L94 WeakPolarHBondContact CB-O 3.37Å; L94-R101 HydrophobicContact CB-CG 4.1Å; L94-R101 HydrophobicContact CD1-CG 4.47Å; L94-R101 HydrophobicContact CD2-CG 4.3Å; L94-V104 HydrophobicContact CD2-CB 4.21Å; L94-V104 HydrophobicContact CD2-CG1 3.59Å; L94-R105 HydrophobicContact CD2-CG 4.24Å; L94-M165 HydrophobicContact CD2-CB 4.28Å; L94-M165 HydrophobicContact CD2-CE 4.05Å
95P97.3Very high97.6Very high36 Ų3669 Ų6923%0.23438%0.379CS..  trans-66.3155.5178.628.5-35.4000111.3A100 R101 V104P95-A100 HydrophobicContact CB-CB 4.12Å; P95-A100 HydrophobicContact CG-CB 3.62Å; P95-R101 HydrophobicContact CG-CB 4.17Å; P95-R101 WeakPolarHBondContact O-CB 3.37Å; P95-R101 WeakPolarHBondContact O-CD 3.34Å; P95-V104 HydrophobicContact CG-CG2 4.16Å
96A96.3Very high97.6Very high64 Ų6472.1 Ų72.153%0.52940%0.395SS..SBendtrans-72.7-32.8178.400000112.9R92 P98R92-A96 VanDerWaalsContact NH1-CB 3.26Å; A96-P98 VanDerWaalsContact O-CD 3.31Å; A96-P98 WeakPolarHBondContact O-CD 3.47Å
97D97.7Very high97.6Very high85 Ų8565.2 Ų65.246%0.45536%0.362SS..SBendtrans-61.3121.3175.9171.954.9000110.1K99 A100 R101D97-K99 PolarHBondContact O-N 3.38Å; D97-K99 WeakPolarHBondContact OD2-CB 3.43Å; D97-K99 PolarHBondContact OD2-N 3.41Å; D97-A100 HydrophobicContact CB-CB 4.17Å; D97-A100 PolarHBondContact O-N 3.05Å; D97-A100 WeakPolarHBondContact OD2-CB 3.38Å; D97-A100 PolarHBondContact OD2-N 3.02Å; D97-R101 VanDerWaalsContact O-CB 3.29Å; D97-R101 WeakPolarHBondContact O-CB 3.49Å; D97-R101 PolarHBondContact O-N 2.9Å
98P98.4Very high97.7Very high81 Ų8162.1 Ų62.153%0.52634%0.343SS..Hα-helixtrans-59.5-31.8-177.1-26.735.7000114.2A96 A102A96-P98 VanDerWaalsContact O-CD 3.31Å; A96-P98 WeakPolarHBondContact O-CD 3.47Å; P98-A102 WeakPolarHBondContact O-CB 3.25Å; P98-A102 PolarHBondContact O-N 3.07Å
99K98.3Very high97.8Very high165 Ų16563.6 Ų63.672%0.71735%0.354SS*.Hα-helixtrans-72.2-49.9-179.3-62.8178.3179.6176.40110.8D97 R101 A102 Q103D97-K99 PolarHBondContact O-N 3.38Å; D97-K99 WeakPolarHBondContact OD2-CB 3.43Å; D97-K99 PolarHBondContact OD2-N 3.41Å; K99-R101 VanDerWaalsContact C-N 3.26Å; K99-R101 PolarHBondContact O-N 2.93Å; K99-A102 WeakPolarHBondContact O-CB 3.42Å; K99-A102 PolarHBondContact O-N 3.49Å; K99-Q103 PolarHBondContact O-N 3.12Å
100A98.3Very high98Very high19 Ų1959.6 Ų59.616%0.15733%0.327CS..Hα-helixtrans-58.9-40.2173.700000111.2P95 D97 A102 Q103 V104 V159P95-A100 HydrophobicContact CB-CB 4.12Å; P95-A100 HydrophobicContact CG-CB 3.62Å; D97-A100 HydrophobicContact CB-CB 4.17Å; D97-A100 PolarHBondContact O-N 3.05Å; D97-A100 WeakPolarHBondContact OD2-CB 3.38Å; D97-A100 PolarHBondContact OD2-N 3.02Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A100-A102 PolarHBondContact O-N 2.67Å; A100-Q103 WeakPolarHBondContact O-CB 3.4Å; A100-Q103 PolarHBondContact O-N 3.25Å; A100-Q103 VanDerWaalsContact O-N 3.16Å; A100-V104 WeakPolarHBondContact O-CG2 3.38Å; A100-V104 PolarHBondContact O-N 3.04Å; A100-V159 HydrophobicContact CB-CG1 4.35Å
101R98.8Very high98.3Very high79 Ų7957 Ų5730%0.29830%0.3SS..Hα-helixtrans-63.8-38.4177.9-171.1168.456.181.25.3112.3L94 P95 D97 K99 R105L94-R101 HydrophobicContact CB-CG 4.1Å; L94-R101 HydrophobicContact CD1-CG 4.47Å; L94-R101 HydrophobicContact CD2-CG 4.3Å; P95-R101 HydrophobicContact CG-CB 4.17Å; P95-R101 WeakPolarHBondContact O-CB 3.37Å; P95-R101 WeakPolarHBondContact O-CD 3.34Å; D97-R101 VanDerWaalsContact O-CB 3.29Å; D97-R101 WeakPolarHBondContact O-CB 3.49Å; D97-R101 PolarHBondContact O-N 2.9Å; K99-R101 VanDerWaalsContact C-N 3.26Å; K99-R101 PolarHBondContact O-N 2.93Å; R101-R105 VanDerWaalsContact NH1-CZ 3.29Å; R101-R105 WeakPolarHBondContact O-CG 3.49Å; R101-R105 PolarHBondContact O-N 3.28Å; R101-R105 VanDerWaalsContact O-N 3.09Å
102A98.8Very high98.4Very high59 Ų5953.9 Ų53.949%0.48828%0.281SS..Hα-helixtrans-65.5-40.5173.700000111.8P98 K99 A100 R105 M106P98-A102 WeakPolarHBondContact O-CB 3.25Å; P98-A102 PolarHBondContact O-N 3.07Å; K99-A102 WeakPolarHBondContact O-CB 3.42Å; K99-A102 PolarHBondContact O-N 3.49Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A100-A102 PolarHBondContact O-N 2.67Å; A102-R105 PolarHBondContact O-N 2.96Å; A102-M106 WeakPolarHBondContact O-CB 3.03Å; A102-M106 PolarHBondContact O-N 2.99Å
103Q98.9Very high98.5Very high75 Ų7550.5 Ų50.535%0.3528%0.28SS..Hα-helixtrans-63-44.7175.5-69.9172.7-30.900112K99 A100 R105 M106 I107 T153 V159K99-Q103 PolarHBondContact O-N 3.12Å; A100-Q103 WeakPolarHBondContact O-CB 3.4Å; A100-Q103 PolarHBondContact O-N 3.25Å; A100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-R105 VanDerWaalsContact C-N 3.35Å; Q103-R105 PolarHBondContact O-N 2.67Å; Q103-M106 PolarHBondContact O-N 3.36Å; Q103-I107 PolarHBondContact O-N 3.2Å; Q103-T153 HydrophobicContact CB-CG2 4.42Å; Q103-T153 HydrophobicContact CG-CG2 4.23Å; Q103-V159 HydrophobicContact CB-CG1 4.28Å; Q103-V159 HydrophobicContact CB-CG2 4.24Å
104V98.9Very high98.5Very high1 Ų152.3 Ų52.31%0.00630%0.3CS..Hα-helixtrans-58.6-47176.1171.70000110.9L94 P95 A100 I107 S108 V159 M165 A166L94-V104 HydrophobicContact CD2-CB 4.21Å; L94-V104 HydrophobicContact CD2-CG1 3.59Å; P95-V104 HydrophobicContact CG-CG2 4.16Å; A100-V104 WeakPolarHBondContact O-CG2 3.38Å; A100-V104 PolarHBondContact O-N 3.04Å; V104-I107 PolarHBondContact O-N 3.2Å; V104-S108 WeakPolarHBondContact O-CB 3.44Å; V104-S108 PolarHBondContact O-N 3.39Å; V104-S108 PolarHBondContact O-OG 3.1Å; V104-V159 HydrophobicContact CB-CG2 4.5Å; V104-V159 HydrophobicContact CG2-CB 3.77Å; V104-V159 HydrophobicContact CG2-CG1 4.11Å; V104-V159 HydrophobicContact CG2-CG2 3.64Å; V104-M165 HydrophobicContact CG1-CB 3.88Å; V104-A166 HydrophobicContact CG1-CB 4.19Å
105R98.9Very high98.5Very high79 Ų7951.7 Ų51.730%0.29830%0.296SS..Hα-helixtrans-63.6-45.1177.4-74.3179.7175.4175.7-4112.1L94 R101 A102 Q103 I107 S108 D109 M165L94-R105 HydrophobicContact CD2-CG 4.24Å; R101-R105 VanDerWaalsContact NH1-CZ 3.29Å; R101-R105 WeakPolarHBondContact O-CG 3.49Å; R101-R105 PolarHBondContact O-N 3.28Å; R101-R105 VanDerWaalsContact O-N 3.09Å; A102-R105 PolarHBondContact O-N 2.96Å; Q103-R105 VanDerWaalsContact C-N 3.35Å; Q103-R105 PolarHBondContact O-N 2.67Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 2.77Å; R105-S108 WeakPolarHBondContact O-CB 3.46Å; R105-S108 PolarHBondContact O-N 3.3Å; R105-S108 VanDerWaalsContact O-N 3.15Å; R105-D109 WeakPolarHBondContact O-CB 3.44Å; R105-D109 VanDerWaalsContact O-CG 3.31Å; R105-D109 PolarHBondContact O-N 3.11Å; R105-M165 HydrophobicContact CG-CE 4.21Å
106M98.9Very high98.6Very high94 Ų9450.8 Ų50.846%0.46329%0.289SS..Hα-helixtrans-55.9-46.3177.8-178.8179.568.200112.1A102 Q103 L110 I149A102-M106 WeakPolarHBondContact O-CB 3.03Å; A102-M106 PolarHBondContact O-N 2.99Å; Q103-M106 PolarHBondContact O-N 3.36Å; M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 PolarHBondContact O-N 3.29Å; M106-I149 HydrophobicContact CE-CG2 3.83Å
107I98.9Very high98.7Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-66.7-44.4176.8-68.9161.4000111.1Q103 V104 R105 D109 L110 I111 L146 I149 L150 V159 A166Q103-I107 PolarHBondContact O-N 3.2Å; V104-I107 PolarHBondContact O-N 3.2Å; R105-I107 VanDerWaalsContact C-N 3.33Å; R105-I107 PolarHBondContact O-N 2.77Å; I107-D109 VanDerWaalsContact C-N 3.31Å; I107-D109 PolarHBondContact O-N 3.26Å; I107-L110 PolarHBondContact O-N 3.3Å; I107-I111 HydrophobicContact CG2-CD1 4.11Å; I107-I111 PolarHBondContact O-N 3.2Å; I107-I111 VanDerWaalsContact O-N 3.13Å; I107-L146 HydrophobicContact CB-CD1 4.41Å; I107-L146 HydrophobicContact CG1-CD1 4.19Å; I107-L146 HydrophobicContact CG2-CD1 3.73Å; I107-I149 HydrophobicContact CD1-CG2 4.21Å; I107-I149 HydrophobicContact CG1-CG2 3.91Å; I107-L150 HydrophobicContact CD1-CD2 3.89Å; I107-V159 HydrophobicContact CD1-CG2 3.7Å; I107-A166 HydrophobicContact CB-CB 3.93Å; I107-A166 HydrophobicContact CD1-CB 4.48Å; I107-A166 HydrophobicContact CG2-CB 3.64Å
108S98.9Very high98.8Very high0 Ų048.7 Ų48.70%027%0.271CS..Hα-helixtrans-58.9-44178.6-56.40000111.4V104 R105 I111 A112 A166V104-S108 WeakPolarHBondContact O-CB 3.44Å; V104-S108 PolarHBondContact O-N 3.39Å; V104-S108 PolarHBondContact O-OG 3.1Å; R105-S108 WeakPolarHBondContact O-CB 3.46Å; R105-S108 PolarHBondContact O-N 3.3Å; R105-S108 VanDerWaalsContact O-N 3.15Å; S108-I111 PolarHBondContact O-N 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.2Å; S108-A112 PolarHBondContact O-N 3.14Å; S108-A166 PolarHBondContact OG-N 3.29Å
109D98.9Very high98.8Very high77 Ų7745 Ų4541%0.41225%0.247SC..Hα-helixtrans-73.2-37179.8-70.1-26.2000112.2L78 R105 I107 I111 A112 S113 G114L78-D109 WeakPolarHBondContact CD1-OD1 3.33Å; R105-D109 WeakPolarHBondContact O-CB 3.44Å; R105-D109 VanDerWaalsContact O-CG 3.31Å; R105-D109 PolarHBondContact O-N 3.11Å; I107-D109 VanDerWaalsContact C-N 3.31Å; I107-D109 PolarHBondContact O-N 3.26Å; D109-I111 PolarHBondContact O-N 3.16Å; D109-A112 PolarHBondContact O-N 3.31Å; D109-S113 WeakPolarHBondContact O-CA 3.43Å; D109-S113 WeakPolarHBondContact O-CB 3.42Å; D109-S113 PolarHBondContact O-N 3.21Å; D109-G114 PolarHBondContact O-N 2.89Å
110L98.9Very high98.7Very high35 Ų3538.6 Ų38.618%0.18322%0.221CC..Hα-helixtrans-53.9-46.1171.7-173.3162.2000109.5M106 I107 G114 I115 A145 L146 I149M106-L110 WeakPolarHBondContact O-CB 3.36Å; M106-L110 PolarHBondContact O-N 3.29Å; I107-L110 PolarHBondContact O-N 3.3Å; L110-G114 CarbonylContact O-C 3.36Å; L110-G114 WeakPolarHBondContact O-CA 3.42Å; L110-G114 PolarHBondContact O-N 3.25Å; L110-I115 HydrophobicContact CD2-CD1 3.69Å; L110-I115 HydrophobicContact CD2-CG1 4.08Å; L110-I115 PolarHBondContact O-N 3.04Å; L110-I115 VanDerWaalsContact O-N 3.15Å; L110-A145 HydrophobicContact CD1-CB 4.38Å; L110-L146 HydrophobicContact CD1-CB 4.29Å; L110-L146 HydrophobicContact CD1-CD1 4.36Å; L110-L146 HydrophobicContact CD2-CB 3.95Å; L110-L146 HydrophobicContact CD2-CD1 4.47Å; L110-I149 HydrophobicContact CD1-CD1 3.71Å
111I98.9Very high98.6Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-72.6-51.7178.3-66.1163.5000111.8I107 S108 D109 I115 Q116 L146 C169 L170 Q173I107-I111 HydrophobicContact CG2-CD1 4.11Å; I107-I111 PolarHBondContact O-N 3.2Å; I107-I111 VanDerWaalsContact O-N 3.13Å; S108-I111 PolarHBondContact O-N 3.28Å; D109-I111 PolarHBondContact O-N 3.16Å; I111-I115 HydrophobicContact CG1-CD1 4.41Å; I111-I115 PolarHBondContact O-N 2.88Å; I111-Q116 WeakPolarHBondContact O-CB 3.49Å; I111-Q116 PolarHBondContact O-N 2.82Å; I111-L146 HydrophobicContact CD1-CD2 3.97Å; I111-L146 HydrophobicContact CG1-CD2 3.99Å; I111-C169 HydrophobicContact CB-CB 4.19Å; I111-C169 HydrophobicContact CD1-CB 3.84Å; I111-C169 HydrophobicContact CG2-CB 4.04Å; I111-L170 HydrophobicContact CD1-CB 4.37Å; I111-L170 HydrophobicContact CD1-CD1 4.38Å; I111-Q173 HydrophobicContact CG2-CB 3.71Å; I111-Q173 HydrophobicContact CG2-CG 3.86Å
112A98.8Very high98.5Very high15 Ų1539.8 Ų39.812%0.12423%0.234CC..Hα-helixtrans-77.5-25.1-168.900000113.9L78 S108 D109 P117L78-A112 HydrophobicContact CD1-CB 3.65Å; L78-A112 HydrophobicContact CD2-CB 4.29Å; L78-A112 HydrophobicContact CG-CB 4.01Å; S108-A112 WeakPolarHBondContact O-CB 3.2Å; S108-A112 PolarHBondContact O-N 3.14Å; D109-A112 PolarHBondContact O-N 3.31Å; A112-P117 WeakPolarHBondContact O-CD 3.5Å; A112-P117 WeakPolarHBondContact O-CG 3.45Å
113S98.8Very high98.4Very high79 Ų7939.2 Ų39.255%0.55223%0.225SC*.Hα-helixtrans-112.8-38.9-179.5-53.70000111.6D109 P117D109-S113 WeakPolarHBondContact O-CA 3.43Å; D109-S113 WeakPolarHBondContact O-CB 3.42Å; D109-S113 PolarHBondContact O-N 3.21Å; S113-P117 WeakPolarHBondContact O-CD 3.27Å; S113-P117 WeakPolarHBondContact O-CG 3.32Å
114G98.6Very high98.4Very high41 Ų4136.2 Ų36.242%0.42321%0.211SC..Hα-helixtrans-88.7-21.5-174.800000115.8D109 L110 L118D109-G114 PolarHBondContact O-N 2.89Å; L110-G114 CarbonylContact O-C 3.36Å; L110-G114 WeakPolarHBondContact O-CA 3.42Å; L110-G114 PolarHBondContact O-N 3.25Å; G114-L118 WeakPolarHBondContact O-CD1 3.15Å
115I98.9Very high98.2Very high1 Ų141.9 Ų41.91%0.00524%0.237CC..THydrogen-bonded Turntrans-119.4-60.4-178.7-49.3177000111.5L110 I111 P117 L118 I139 F143 Q173L110-I115 HydrophobicContact CD2-CD1 3.69Å; L110-I115 HydrophobicContact CD2-CG1 4.08Å; L110-I115 PolarHBondContact O-N 3.04Å; L110-I115 VanDerWaalsContact O-N 3.15Å; I111-I115 HydrophobicContact CG1-CD1 4.41Å; I111-I115 PolarHBondContact O-N 2.88Å; I115-P117 VanDerWaalsContact C-CD 3.5Å; I115-L118 PolarHBondContact O-N 3.28Å; I115-L118 VanDerWaalsContact O-N 3.16Å; I115-I139 HydrophobicContact CG2-CG1 4.07Å; I115-F143 HydrophobicContact CD1-CD1 3.95Å; I115-F143 HydrophobicContact CD1-CE1 4.14Å; I115-Q173 HydrophobicContact CG2-CG 4.44Å
116Q98.8Very high98.1Very high18 Ų1847 Ų478%0.08426%0.262CS..G310 helixtrans-57-43.8-169.3-164-74.2-2700113.1C21 I111 L118 Q119 N120C21-Q116 PolarHBondContact SG-NE2 3.16Å; I111-Q116 WeakPolarHBondContact O-CB 3.49Å; I111-Q116 PolarHBondContact O-N 2.82Å; Q116-L118 PolarHBondContact O-N 2.86Å; Q116-Q119 VanDerWaalsContact CA-NE2 3.33Å; Q116-Q119 PolarHBondContact O-N 2.79Å; Q116-Q119 PolarHBondContact O-NE2 2.8Å; Q116-N120 PolarHBondContact NE2-ND2 3.13Å; Q116-N120 PolarHBondContact O-N 2.78Å; Q116-N120 VanDerWaalsContact O-N 3.13Å
117P98.8Very high98.1Very high49 Ų4945.1 Ų45.132%0.31825%0.253SS..G310 helixtrans-62.7-33.3-176.8-25.537.9000112.6A112 S113 I115 Q119 N120 V123A112-P117 WeakPolarHBondContact O-CD 3.5Å; A112-P117 WeakPolarHBondContact O-CG 3.45Å; S113-P117 WeakPolarHBondContact O-CD 3.27Å; S113-P117 WeakPolarHBondContact O-CG 3.32Å; I115-P117 VanDerWaalsContact C-CD 3.5Å; P117-Q119 VanDerWaalsContact C-N 3.31Å; P117-Q119 PolarHBondContact O-N 3.2Å; P117-N120 VanDerWaalsContact O-CB 3.31Å; P117-N120 WeakPolarHBondContact O-CB 3.35Å; P117-N120 PolarHBondContact O-N 3.46Å; P117-V123 WeakPolarHBondContact O-CG2 3.37Å
118L98.6Very high97.9Very high56 Ų5646.8 Ų46.829%0.29327%0.27SS..G310 helixtrans-73.5-23.8-175.9-56.7174.5000112.8G114 I115 Q116 V123 W134 F138G114-L118 WeakPolarHBondContact O-CD1 3.15Å; I115-L118 PolarHBondContact O-N 3.28Å; I115-L118 VanDerWaalsContact O-N 3.16Å; Q116-L118 PolarHBondContact O-N 2.86Å; L118-V123 WeakPolarHBondContact O-CG1 3.19Å; L118-W134 PolarHBondContact O-NE1 3.36Å; L118-F138 HydrophobicContact CB-CB 3.99Å; L118-F138 HydrophobicContact CB-CD1 4.26Å; L118-F138 HydrophobicContact CB-CD2 4.18Å; L118-F138 HydrophobicContact CB-CG 3.87Å; L118-F138 HydrophobicContact CD1-CB 4.2Å; L118-F138 HydrophobicContact CD1-CD1 3.25Å; L118-F138 HydrophobicContact CD1-CE1 3.66Å; L118-F138 HydrophobicContact CD1-CG 3.76Å; L118-F138 HydrophobicContact CD1-CZ 4.48Å; L118-F138 HydrophobicContact CG-CD1 4.29Å; L118-F138 HydrophobicContact CG-CG 4.41Å
119Q98.3Very high97.8Very high3 Ų351.3 Ų51.31%0.01431%0.308CS..G310 helixtrans-110.215.6175.75974.472.900112.9Q116 P117 L124 A135 I139 N176 F180Q116-Q119 VanDerWaalsContact CA-NE2 3.33Å; Q116-Q119 PolarHBondContact O-N 2.79Å; Q116-Q119 PolarHBondContact O-NE2 2.8Å; P117-Q119 VanDerWaalsContact C-N 3.31Å; P117-Q119 PolarHBondContact O-N 3.2Å; Q119-L124 WeakPolarHBondContact O-CD1 3.15Å; Q119-A135 HydrophobicContact CB-CB 4.01Å; Q119-I139 HydrophobicContact CG-CD1 4.27Å; Q119-I139 HydrophobicContact CG-CG1 4.18Å; Q119-N176 PolarHBondContact OE1-ND2 3.41Å; Q119-F180 HydrophobicContact CB-CE2 4.41Å
120N97.6Very high97.8Very high31 Ų3153.3 Ų53.317%0.16632%0.315CS..SBendtrans-66.3149.1175.6-170.6-69.3000111Q116 P117 S122 V123 L124Q116-N120 PolarHBondContact NE2-ND2 3.13Å; Q116-N120 PolarHBondContact O-N 2.78Å; Q116-N120 VanDerWaalsContact O-N 3.13Å; P117-N120 VanDerWaalsContact O-CB 3.31Å; P117-N120 WeakPolarHBondContact O-CB 3.35Å; P117-N120 PolarHBondContact O-N 3.46Å; N120-S122 VanDerWaalsContact C-N 3.3Å; N120-S122 PolarHBondContact O-N 2.84Å; N120-S122 PolarHBondContact OD1-N 3.23Å; N120-S122 VanDerWaalsContact OD1-N 3.14Å; N120-S122 PolarHBondContact OD1-OG 3.35Å; N120-V123 PolarHBondContact O-N 3.38Å; N120-V123 VanDerWaalsContact O-N 3.12Å; N120-L124 WeakPolarHBondContact O-CG 3.04Å; N120-L124 PolarHBondContact O-N 3.15Å
121L95.6Very high97.7Very high63 Ų6357.2 Ų57.233%0.3333%0.33SS..Hα-helixtrans-50.1-46.4179.517862.7000113L43 V123 L124 Q125L43-L121 HydrophobicContact CB-CD2 3.9Å; L43-L121 WeakPolarHBondContact O-CD2 3.44Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 3.25Å; L121-Q125 HydrophobicContact CD1-CG 4.12Å; L121-Q125 HydrophobicContact CG-CG 4.41Å; L121-Q125 WeakPolarHBondContact O-CB 3.43Å; L121-Q125 VanDerWaalsContact O-CG 3.28Å; L121-Q125 WeakPolarHBondContact O-CG 3.31Å; L121-Q125 PolarHBondContact O-N 2.94Å
122S95.9Very high97.7Very high59 Ų5960.4 Ų60.441%0.41335%0.347SS..Hα-helixtrans-65.1-36.6-177.2610000112.5N120 K126N120-S122 VanDerWaalsContact C-N 3.3Å; N120-S122 PolarHBondContact O-N 2.84Å; N120-S122 PolarHBondContact OD1-N 3.23Å; N120-S122 VanDerWaalsContact OD1-N 3.14Å; N120-S122 PolarHBondContact OD1-OG 3.35Å; S122-K126 PolarHBondContact O-N 2.77Å
123V97.8Very high97.7Very high47 Ų4762.6 Ų62.629%0.28536%0.36SS..Hα-helixtrans-69-49.4174.3175.70000110P117 L118 N120 L121 Q125 K126 I127P117-V123 WeakPolarHBondContact O-CG2 3.37Å; L118-V123 WeakPolarHBondContact O-CG1 3.19Å; N120-V123 PolarHBondContact O-N 3.38Å; N120-V123 VanDerWaalsContact O-N 3.12Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 3.35Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 PolarHBondContact O-N 3.24Å; V123-K126 WeakPolarHBondContact O-CA 3.47Å; V123-K126 WeakPolarHBondContact O-CB 3.43Å; V123-K126 PolarHBondContact O-N 3.11Å; V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CG1 3.49Å; V123-I127 PolarHBondContact O-N 3.14Å; V123-I127 VanDerWaalsContact O-N 3.08Å
124L97.8Very high97.7Very high12 Ų1262.8 Ų62.86%0.06335%0.349CS..Hα-helixtrans-61.3-33.3-179.8-66.8-172.5000112.9Q119 N120 L121 K126 I127 G128 K131 W134 A135 F180Q119-L124 WeakPolarHBondContact O-CD1 3.15Å; N120-L124 WeakPolarHBondContact O-CG 3.04Å; N120-L124 PolarHBondContact O-N 3.15Å; L121-L124 PolarHBondContact O-N 3.25Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.1Å; L124-I127 PolarHBondContact O-N 3.45Å; L124-G128 PolarHBondContact O-N 2.99Å; L124-K131 HydrophobicContact CB-CB 4.07Å; L124-K131 HydrophobicContact CD2-CB 4.17Å; L124-K131 WeakPolarHBondContact CD2-O 3.35Å; L124-W134 HydrophobicContact CD2-CG 4.42Å; L124-A135 HydrophobicContact CD1-CB 4.39Å; L124-A135 HydrophobicContact CD2-CB 4.2Å; L124-F180 HydrophobicContact CD1-CE1 3.81Å; L124-F180 HydrophobicContact CD1-CE2 4.49Å; L124-F180 HydrophobicContact CD1-CZ 3.49Å; L124-F180 VanDerWaalsContact CD1-CZ 3.49Å
125Q95.5Very high97.7Very high120 Ų12060.9 Ų60.956%0.56133%0.328SS*.Hα-helixtrans-62.8-36.3172.5-78.2172.7-17.700112.2L121 V123L121-Q125 HydrophobicContact CD1-CG 4.12Å; L121-Q125 HydrophobicContact CG-CG 4.41Å; L121-Q125 WeakPolarHBondContact O-CB 3.43Å; L121-Q125 VanDerWaalsContact O-CG 3.28Å; L121-Q125 WeakPolarHBondContact O-CG 3.31Å; L121-Q125 PolarHBondContact O-N 2.94Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 PolarHBondContact O-N 3.24Å
126K97.1Very high97.7Very high187 Ų18763.3 Ų63.381%0.81334%0.34SS*.Hα-helixtrans-72.2-33.7175.2-66.6-67.4-175179.60112.8S122 V123 L124S122-K126 PolarHBondContact O-N 2.77Å; V123-K126 WeakPolarHBondContact O-CA 3.47Å; V123-K126 WeakPolarHBondContact O-CB 3.43Å; V123-K126 PolarHBondContact O-N 3.11Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.1Å
127I97.9Very high97.7Very high54 Ų5467.5 Ų67.528%0.27736%0.359SS..Hα-helixtrans-69.8-33.8175.8-59.3-57.9000111.7V123 L124 A129 E130 W134V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CG1 3.49Å; V123-I127 PolarHBondContact O-N 3.14Å; V123-I127 VanDerWaalsContact O-N 3.08Å; L124-I127 PolarHBondContact O-N 3.45Å; I127-A129 PolarHBondContact O-N 3Å; I127-E130 HydrophobicContact CG2-CB 3.77Å; I127-W134 HydrophobicContact CD1-CD2 3.82Å; I127-W134 HydrophobicContact CD1-CE3 3.86Å; I127-W134 HydrophobicContact CD1-CG 4.45Å; I127-W134 HydrophobicContact CD1-CH2 4.09Å; I127-W134 HydrophobicContact CD1-CZ2 4.05Å; I127-W134 HydrophobicContact CD1-CZ3 3.99Å; I127-W134 HydrophobicContact CG1-CD2 3.88Å; I127-W134 HydrophobicContact CG1-CE3 4.36Å; I127-W134 HydrophobicContact CG1-CG 4Å; I127-W134 HydrophobicContact CG2-CB 4.02Å; I127-W134 HydrophobicContact CG2-CD2 4.47Å; I127-W134 HydrophobicContact CG2-CG 4.24Å
128G96.4Very high97.7Very high35 Ų3566.5 Ų66.536%0.36135%0.35SS..G310 helixtrans74-120.1174.600000113.1L124 E130 K131L124-G128 PolarHBondContact O-N 2.99Å; G128-E130 VanDerWaalsContact C-N 3.3Å; G128-E130 PolarHBondContact O-N 3.1Å; G128-K131 WeakPolarHBondContact O-CB 3.45Å; G128-K131 WeakPolarHBondContact O-CG 3.19Å; G128-K131 PolarHBondContact O-N 2.79Å
129A96.8Very high97.7Very high95 Ų9563.8 Ų63.879%0.78534%0.336SS*.G310 helixtrans-62.2-35.6-173.900000112.8I127 K131I127-A129 PolarHBondContact O-N 3Å; A129-K131 PolarHBondContact O-N 2.9Å
130E97.8Very high97.7Very high120 Ų12065.5 Ų65.556%0.56135%0.345SS*.G310 helixtrans-83.211.8-177.4-64.4-56.5129.800113.9I127 G128 L132 P133 W134I127-E130 HydrophobicContact CG2-CB 3.77Å; G128-E130 VanDerWaalsContact C-N 3.3Å; G128-E130 PolarHBondContact O-N 3.1Å; E130-L132 VanDerWaalsContact C-N 3.27Å; E130-L132 PolarHBondContact O-N 3.2Å; E130-P133 WeakPolarHBondContact O-CD 3.39Å; E130-W134 WeakPolarHBondContact O-CB 3.34Å; E130-W134 PolarHBondContact O-N 3Å
131K97.8Very high97.8Very high117 Ų11771.5 Ų71.551%0.50937%0.365SS..Hα-helixtrans-57.9-35.9-175.165.6-173.7178.2-171.70114L124 G128 A129 A135L124-K131 HydrophobicContact CB-CB 4.07Å; L124-K131 HydrophobicContact CD2-CB 4.17Å; L124-K131 WeakPolarHBondContact CD2-O 3.35Å; G128-K131 WeakPolarHBondContact O-CB 3.45Å; G128-K131 WeakPolarHBondContact O-CG 3.19Å; G128-K131 PolarHBondContact O-N 2.79Å; A129-K131 PolarHBondContact O-N 2.9Å; K131-A135 WeakPolarHBondContact O-CB 3.37Å; K131-A135 PolarHBondContact O-N 2.8Å
132L98.3Very high97.9Very high66 Ų6669 Ų6935%0.34635%0.354SS..Hα-helixtrans-74.4-55-177.5174.667.5000111E130 W134 A135 Q136 F180E130-L132 VanDerWaalsContact C-N 3.27Å; E130-L132 PolarHBondContact O-N 3.2Å; L132-W134 PolarHBondContact O-N 2.97Å; L132-A135 PolarHBondContact O-N 2.82Å; L132-Q136 HydrophobicContact CD1-CG 4.18Å; L132-Q136 WeakPolarHBondContact O-CB 3.37Å; L132-Q136 VanDerWaalsContact O-CG 3.29Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 2.82Å; L132-F180 HydrophobicContact CD1-CB 4.23Å; L132-F180 HydrophobicContact CD1-CD1 3.99Å; L132-F180 WeakPolarHBondContact CD1-O 3.4Å
133P98.5Very high98.1Very high61 Ų6166.1 Ų66.140%0.39633%0.334SS..Hα-helixtrans-54.2-39.3172.2-27.534.6000113.3E130 Q136 H137E130-P133 WeakPolarHBondContact O-CD 3.39Å; P133-Q136 PolarHBondContact O-N 3.25Å; P133-H137 WeakPolarHBondContact O-CB 3.23Å; P133-H137 PolarHBondContact O-N 2.92Å
134W98.8Very high98.1Very high84 Ų8469.6 Ų69.632%0.31835%0.348SS..Hα-helixtrans-60.9-52.5176.2178.7-84.6000112.5L118 L124 I127 E130 L132 Q136 H137 F138L118-W134 PolarHBondContact O-NE1 3.36Å; L124-W134 HydrophobicContact CD2-CG 4.42Å; I127-W134 HydrophobicContact CD1-CD2 3.82Å; I127-W134 HydrophobicContact CD1-CE3 3.86Å; I127-W134 HydrophobicContact CD1-CG 4.45Å; I127-W134 HydrophobicContact CD1-CH2 4.09Å; I127-W134 HydrophobicContact CD1-CZ2 4.05Å; I127-W134 HydrophobicContact CD1-CZ3 3.99Å; I127-W134 HydrophobicContact CG1-CD2 3.88Å; I127-W134 HydrophobicContact CG1-CE3 4.36Å; I127-W134 HydrophobicContact CG1-CG 4Å; I127-W134 HydrophobicContact CG2-CB 4.02Å; I127-W134 HydrophobicContact CG2-CD2 4.47Å; I127-W134 HydrophobicContact CG2-CG 4.24Å; E130-W134 WeakPolarHBondContact O-CB 3.34Å; E130-W134 PolarHBondContact O-N 3Å; L132-W134 PolarHBondContact O-N 2.97Å; W134-Q136 VanDerWaalsContact C-N 3.32Å; W134-Q136 PolarHBondContact O-N 3.04Å; W134-H137 PolarHBondContact O-N 3.25Å; W134-F138 AromaticContact CD2-CD2 3.98Å; W134-F138 HydrophobicContact CD2-CD2 3.98Å; W134-F138 AromaticContact CD2-CE2 3.65Å; W134-F138 HydrophobicContact CD2-CE2 3.65Å; W134-F138 AromaticContact CE2-CD2 3.65Å; W134-F138 AromaticContact CE2-CE2 3.31Å; W134-F138 AromaticContact CE3-CE2 3.9Å; W134-F138 HydrophobicContact CE3-CE2 3.9Å; W134-F138 HydrophobicContact CG-CD2 4.23Å; W134-F138 HydrophobicContact CG-CE2 4.36Å; W134-F138 AromaticContact CH2-CE2 3.58Å; W134-F138 HydrophobicContact CH2-CE2 3.58Å; W134-F138 HydrophobicContact CH2-CZ 4.03Å; W134-F138 HydrophobicContact CZ2-CD2 4.04Å; W134-F138 AromaticContact CZ2-CE2 3.29Å; W134-F138 HydrophobicContact CZ2-CE2 3.29Å; W134-F138 AromaticContact CZ2-CZ 3.96Å; W134-F138 HydrophobicContact CZ2-CZ 3.96Å; W134-F138 AromaticContact CZ3-CE2 3.87Å; W134-F138 HydrophobicContact CZ3-CE2 3.87Å; W134-F138 AromaticContact NE1-CD2 3.67Å; W134-F138 AromaticContact NE1-CE2 3.84Å; W134-F138 WeakPolarHBondContact O-CD2 3.49Å; W134-F138 PolarHBondContact O-N 3.27Å; W134-F138 VanDerWaalsContact O-N 3.15Å
135A98.8Very high98.2Very high0 Ų071.3 Ų71.30%036%0.364CS..Hα-helixtrans-59.8-44.9178.200000111.1Q119 L124 K131 L132 H137 F138 I139 F180Q119-A135 HydrophobicContact CB-CB 4.01Å; L124-A135 HydrophobicContact CD1-CB 4.39Å; L124-A135 HydrophobicContact CD2-CB 4.2Å; K131-A135 WeakPolarHBondContact O-CB 3.37Å; K131-A135 PolarHBondContact O-N 2.8Å; L132-A135 PolarHBondContact O-N 2.82Å; A135-H137 PolarHBondContact O-N 3.21Å; A135-F138 PolarHBondContact O-N 3.18Å; A135-I139 WeakPolarHBondContact O-CB 3.46Å; A135-I139 WeakPolarHBondContact O-CD1 3.46Å; A135-I139 WeakPolarHBondContact O-CG1 3.33Å; A135-I139 PolarHBondContact O-N 3.37Å; A135-F180 HydrophobicContact CB-CB 4.38Å; A135-F180 HydrophobicContact CB-CD1 3.74Å; A135-F180 HydrophobicContact CB-CD2 3.94Å; A135-F180 HydrophobicContact CB-CE1 3.9Å; A135-F180 HydrophobicContact CB-CE2 4.1Å; A135-F180 HydrophobicContact CB-CG 3.77Å; A135-F180 HydrophobicContact CB-CZ 4.08Å
136Q98.8Very high98.3Very high53 Ų5365.6 Ų65.625%0.24834%0.337CS..Hα-helixtrans-59.3-45.4177.1-71.7172.9-25.700111.8L132 P133 W134 N140 F180 V182L132-Q136 HydrophobicContact CD1-CG 4.18Å; L132-Q136 WeakPolarHBondContact O-CB 3.37Å; L132-Q136 VanDerWaalsContact O-CG 3.29Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 2.82Å; P133-Q136 PolarHBondContact O-N 3.25Å; W134-Q136 VanDerWaalsContact C-N 3.32Å; W134-Q136 PolarHBondContact O-N 3.04Å; Q136-N140 VanDerWaalsContact O-CB 3.32Å; Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 PolarHBondContact O-N 3.45Å; Q136-N140 PolarHBondContact O-ND2 3.32Å; Q136-F180 VanDerWaalsContact CG-O 3.25Å; Q136-F180 WeakPolarHBondContact CG-O 3.36Å; Q136-F180 PolarHBondContact NE2-O 3.16Å; Q136-V182 HydrophobicContact CB-CG2 4.21Å; Q136-V182 HydrophobicContact CG-CG2 3.98Å
137H98.8Very high98.4Very high105 Ų10557.2 Ų57.249%0.48630%0.301SS..Hα-helixtrans-58-53178.9175.678.2000111.7P133 W134 A135 I139 N140 R141P133-H137 WeakPolarHBondContact O-CB 3.23Å; P133-H137 PolarHBondContact O-N 2.92Å; W134-H137 PolarHBondContact O-N 3.25Å; A135-H137 PolarHBondContact O-N 3.21Å; H137-I139 PolarHBondContact O-N 3.12Å; H137-N140 PolarHBondContact O-N 3.27Å; H137-R141 WeakPolarHBondContact O-CB 3.12Å; H137-R141 PolarHBondContact O-N 3.12Å
138F98.8Very high98.5Very high28 Ų2857.6 Ų57.612%0.12331%0.306CS..Hα-helixtrans-72.3-30.6-175.9-76.2-70.8000113.5L118 W134 A135 G142L118-F138 HydrophobicContact CB-CB 3.99Å; L118-F138 HydrophobicContact CB-CD1 4.26Å; L118-F138 HydrophobicContact CB-CD2 4.18Å; L118-F138 HydrophobicContact CB-CG 3.87Å; L118-F138 HydrophobicContact CD1-CB 4.2Å; L118-F138 HydrophobicContact CD1-CD1 3.25Å; L118-F138 HydrophobicContact CD1-CE1 3.66Å; L118-F138 HydrophobicContact CD1-CG 3.76Å; L118-F138 HydrophobicContact CD1-CZ 4.48Å; L118-F138 HydrophobicContact CG-CD1 4.29Å; L118-F138 HydrophobicContact CG-CG 4.41Å; W134-F138 AromaticContact CD2-CD2 3.98Å; W134-F138 HydrophobicContact CD2-CD2 3.98Å; W134-F138 AromaticContact CD2-CE2 3.65Å; W134-F138 HydrophobicContact CD2-CE2 3.65Å; W134-F138 AromaticContact CE2-CD2 3.65Å; W134-F138 AromaticContact CE2-CE2 3.31Å; W134-F138 AromaticContact CE3-CE2 3.9Å; W134-F138 HydrophobicContact CE3-CE2 3.9Å; W134-F138 HydrophobicContact CG-CD2 4.23Å; W134-F138 HydrophobicContact CG-CE2 4.36Å; W134-F138 AromaticContact CH2-CE2 3.58Å; W134-F138 HydrophobicContact CH2-CE2 3.58Å; W134-F138 HydrophobicContact CH2-CZ 4.03Å; W134-F138 HydrophobicContact CZ2-CD2 4.04Å; W134-F138 AromaticContact CZ2-CE2 3.29Å; W134-F138 HydrophobicContact CZ2-CE2 3.29Å; W134-F138 AromaticContact CZ2-CZ 3.96Å; W134-F138 HydrophobicContact CZ2-CZ 3.96Å; W134-F138 AromaticContact CZ3-CE2 3.87Å; W134-F138 HydrophobicContact CZ3-CE2 3.87Å; W134-F138 AromaticContact NE1-CD2 3.67Å; W134-F138 AromaticContact NE1-CE2 3.84Å; W134-F138 WeakPolarHBondContact O-CD2 3.49Å; W134-F138 PolarHBondContact O-N 3.27Å; W134-F138 VanDerWaalsContact O-N 3.15Å; A135-F138 PolarHBondContact O-N 3.18Å; F138-G142 PolarHBondContact O-N 3.04Å
139I98.9Very high98.6Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-66.5-50.1171.2-67.2169.8000110.3I115 Q119 A135 H137 R141 G142 F143 A177 F180 V182I115-I139 HydrophobicContact CG2-CG1 4.07Å; Q119-I139 HydrophobicContact CG-CD1 4.27Å; Q119-I139 HydrophobicContact CG-CG1 4.18Å; A135-I139 WeakPolarHBondContact O-CB 3.46Å; A135-I139 WeakPolarHBondContact O-CD1 3.46Å; A135-I139 WeakPolarHBondContact O-CG1 3.33Å; A135-I139 PolarHBondContact O-N 3.37Å; H137-I139 PolarHBondContact O-N 3.12Å; I139-R141 PolarHBondContact O-N 2.87Å; I139-G142 PolarHBondContact O-N 3.49Å; I139-F143 HydrophobicContact CG2-CD2 4.08Å; I139-F143 HydrophobicContact CG2-CE2 4.01Å; I139-F143 HydrophobicContact CG2-CG 4.39Å; I139-F143 HydrophobicContact CG2-CZ 4.25Å; I139-F143 WeakPolarHBondContact O-CB 3.42Å; I139-F143 PolarHBondContact O-N 2.68Å; I139-A177 HydrophobicContact CG2-CB 3.61Å; I139-F180 HydrophobicContact CD1-CB 4.22Å; I139-F180 HydrophobicContact CD1-CD2 3.64Å; I139-F180 HydrophobicContact CD1-CE2 4.46Å; I139-F180 HydrophobicContact CD1-CG 4.31Å; I139-V182 HydrophobicContact CB-CG2 4.16Å; I139-V182 HydrophobicContact CG2-CB 4.34Å; I139-V182 HydrophobicContact CG2-CG1 4.19Å; I139-V182 HydrophobicContact CG2-CG2 3.94Å
140N98.9Very high98.7Very high39 Ų3953.2 Ų53.221%0.20926%0.261CS..Hα-helixtrans-60-45.9178.8-79.3-60.6000111.5Q136 H137 G142 F143 Q144 V182 Q186 Y187Q136-N140 VanDerWaalsContact O-CB 3.32Å; Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 PolarHBondContact O-N 3.45Å; Q136-N140 PolarHBondContact O-ND2 3.32Å; H137-N140 PolarHBondContact O-N 3.27Å; N140-G142 VanDerWaalsContact C-N 3.31Å; N140-G142 PolarHBondContact O-N 3.41Å; N140-F143 PolarHBondContact O-N 3.25Å; N140-Q144 WeakPolarHBondContact O-CB 3.34Å; N140-Q144 WeakPolarHBondContact O-CG 3.31Å; N140-Q144 PolarHBondContact O-N 3.2Å; N140-V182 WeakPolarHBondContact OD1-CG1 2.86Å; N140-Q186 PolarHBondContact OD1-NE2 3.01Å; N140-Y187 VanDerWaalsContact CA-OH 3.3Å; N140-Y187 WeakPolarHBondContact CA-OH 3.31Å; N140-Y187 PolarHBondContact O-OH 2.88Å; N140-Y187 PolarHBondContact OD1-OH 3.17Å
141R98.8Very high98.7Very high157 Ų15754 Ų5459%0.59226%0.263SS*.Hα-helixtrans-58.9-43.5176.9-176.1-177.3179.5-165.8-1.1111.8H137 I139 A145H137-R141 WeakPolarHBondContact O-CB 3.12Å; H137-R141 PolarHBondContact O-N 3.12Å; I139-R141 PolarHBondContact O-N 2.87Å; R141-A145 PolarHBondContact O-N 3.43Å
142G98.9Very high98.8Very high9 Ų956.5 Ų56.59%0.09328%0.276CS..Hα-helixtrans-64.1-46.1176.600000112.9F138 I139 N140 A145 L146F138-G142 PolarHBondContact O-N 3.04Å; I139-G142 PolarHBondContact O-N 3.49Å; N140-G142 VanDerWaalsContact C-N 3.31Å; N140-G142 PolarHBondContact O-N 3.41Å; G142-A145 PolarHBondContact O-N 3.04Å; G142-L146 WeakPolarHBondContact O-CB 3.38Å; G142-L146 PolarHBondContact O-N 3.45Å
143F98.9Very high98.8Very high0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-69.2-34.2179.3-75.75000112.5I115 I139 N140 A145 L146 E147 Q173 V174 A177 Y187 I190I115-F143 HydrophobicContact CD1-CD1 3.95Å; I115-F143 HydrophobicContact CD1-CE1 4.14Å; I139-F143 HydrophobicContact CG2-CD2 4.08Å; I139-F143 HydrophobicContact CG2-CE2 4.01Å; I139-F143 HydrophobicContact CG2-CG 4.39Å; I139-F143 HydrophobicContact CG2-CZ 4.25Å; I139-F143 WeakPolarHBondContact O-CB 3.42Å; I139-F143 PolarHBondContact O-N 2.68Å; N140-F143 PolarHBondContact O-N 3.25Å; F143-A145 VanDerWaalsContact C-N 3.26Å; F143-A145 PolarHBondContact O-N 3.28Å; F143-L146 HydrophobicContact CD1-CD2 4.42Å; F143-L146 PolarHBondContact O-N 2.95Å; F143-E147 VanDerWaalsContact O-CB 3.23Å; F143-E147 WeakPolarHBondContact O-CB 3.49Å; F143-E147 PolarHBondContact O-N 2.92Å; F143-Q173 HydrophobicContact CE1-CG 3.7Å; F143-Q173 HydrophobicContact CZ-CG 3.98Å; F143-V174 HydrophobicContact CE2-CG2 4.47Å; F143-V174 HydrophobicContact CZ-CG2 4.09Å; F143-A177 HydrophobicContact CE2-CB 3.57Å; F143-A177 HydrophobicContact CZ-CB 3.99Å; F143-Y187 HydrophobicContact CB-CD1 4Å; F143-Y187 HydrophobicContact CB-CD2 3.79Å; F143-Y187 HydrophobicContact CB-CE1 3.73Å; F143-Y187 HydrophobicContact CB-CE2 3.48Å; F143-Y187 VanDerWaalsContact CB-CE2 3.48Å; F143-Y187 HydrophobicContact CB-CG 4.03Å; F143-Y187 VanDerWaalsContact CB-CZ 3.45Å; F143-Y187 AromaticContact CD2-CD2 3.63Å; F143-Y187 HydrophobicContact CD2-CD2 3.63Å; F143-Y187 AromaticContact CD2-CE2 3.66Å; F143-Y187 HydrophobicContact CD2-CE2 3.66Å; F143-Y187 HydrophobicContact CD2-CG 4.44Å; F143-Y187 HydrophobicContact CG-CD2 4.2Å; F143-Y187 HydrophobicContact CG-CE2 4.09Å; F143-I190 HydrophobicContact CB-CD1 3.88Å; F143-I190 HydrophobicContact CD1-CD1 4.1Å; F143-I190 HydrophobicContact CD2-CD1 4.25Å; F143-I190 HydrophobicContact CE2-CG2 4.37Å; F143-I190 HydrophobicContact CG-CD1 3.84Å
144Q98.9Very high98.8Very high120 Ų12052.6 Ų52.656%0.56126%0.257SS*.Hα-helixtrans-59.5-35.4170.3-76.8168.8-9.700112.6N140 P148 Y187N140-Q144 WeakPolarHBondContact O-CB 3.34Å; N140-Q144 WeakPolarHBondContact O-CG 3.31Å; N140-Q144 PolarHBondContact O-N 3.2Å; Q144-P148 WeakPolarHBondContact O-CD 3.44Å; Q144-Y187 HydrophobicContact CG-CE1 3.99Å
145A98.8Very high98.8Very high48 Ų4849.9 Ų49.940%0.39726%0.255SS..Hα-helixtrans-79-39.4174.400000112.5L110 R141 G142 F143 P148 I149L110-A145 HydrophobicContact CD1-CB 4.38Å; R141-A145 PolarHBondContact O-N 3.43Å; G142-A145 PolarHBondContact O-N 3.04Å; F143-A145 VanDerWaalsContact C-N 3.26Å; F143-A145 PolarHBondContact O-N 3.28Å; A145-P148 WeakPolarHBondContact O-CD 3.41Å; A145-P148 WeakPolarHBondContact O-CG 3.12Å; A145-I149 WeakPolarHBondContact O-CD1 3.44Å; A145-I149 WeakPolarHBondContact O-CG1 3.4Å
146L98.9Very high98.8Very high0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-72.4-40-175.8179.959.4000113I107 L110 I111 G142 F143 I149 L150 L170 I190I107-L146 HydrophobicContact CB-CD1 4.41Å; I107-L146 HydrophobicContact CG1-CD1 4.19Å; I107-L146 HydrophobicContact CG2-CD1 3.73Å; L110-L146 HydrophobicContact CD1-CB 4.29Å; L110-L146 HydrophobicContact CD1-CD1 4.36Å; L110-L146 HydrophobicContact CD2-CB 3.95Å; L110-L146 HydrophobicContact CD2-CD1 4.47Å; I111-L146 HydrophobicContact CD1-CD2 3.97Å; I111-L146 HydrophobicContact CG1-CD2 3.99Å; G142-L146 WeakPolarHBondContact O-CB 3.38Å; G142-L146 PolarHBondContact O-N 3.45Å; F143-L146 HydrophobicContact CD1-CD2 4.42Å; F143-L146 PolarHBondContact O-N 2.95Å; L146-I149 WeakPolarHBondContact O-CB 3.4Å; L146-I149 PolarHBondContact O-N 2.75Å; L146-I149 VanDerWaalsContact O-N 3.13Å; L146-L150 HydrophobicContact CD1-CD1 3.93Å; L146-L150 HydrophobicContact CD1-CD2 4.33Å; L146-L150 HydrophobicContact CD1-CG 3.85Å; L146-L150 HydrophobicContact CD2-CD1 4.1Å; L146-L150 HydrophobicContact CG-CD1 3.62Å; L146-L150 HydrophobicContact CG-CG 4.03Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.21Å; L146-L170 HydrophobicContact CD2-CD1 3.94Å; L146-I190 HydrophobicContact CB-CD1 4.3Å; L146-I190 HydrophobicContact CD2-CD1 4.14Å; L146-I190 HydrophobicContact CD2-CG1 4.43Å; L146-I190 HydrophobicContact CG-CD1 4.21Å
147E98.9Very high98.8Very high11 Ų1153.9 Ų53.95%0.05127%0.271CS..Hα-helixtrans-53.6-52-178.117964.9-162.300113.4F143 I149 L150 K151 Y187 P188 T189 I190F143-E147 VanDerWaalsContact O-CB 3.23Å; F143-E147 WeakPolarHBondContact O-CB 3.49Å; F143-E147 PolarHBondContact O-N 2.92Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.3Å; E147-L150 PolarHBondContact O-N 3.5Å; E147-K151 WeakPolarHBondContact O-CG 3.49Å; E147-K151 PolarHBondContact O-N 3.44Å; E147-K151 WeakPolarHBondContact OE1-CE 3.33Å; E147-Y187 HydrophobicContact CB-CD1 4.12Å; E147-Y187 HydrophobicContact CG-CD1 4.37Å; E147-P188 WeakPolarHBondContact OE1-CD 3.4Å; E147-T189 WeakPolarHBondContact OE1-CB 3.43Å; E147-T189 PolarHBondContact OE1-N 3.01Å; E147-T189 PolarHBondContact OE1-OG1 3.36Å; E147-T189 WeakPolarHBondContact OE2-CB 3.33Å; E147-T189 PolarHBondContact OE2-N 3.3Å; E147-I190 HydrophobicContact CB-CD1 4.21Å; E147-I190 WeakPolarHBondContact OE2-CG1 3.45Å; E147-I190 PolarHBondContact OE2-N 2.82Å
148P98.8Very high98.8Very high61 Ų6148.9 Ų48.940%0.39625%0.248SC..Hα-helixtrans-67.1-29177.126.2-34.9000113.7Q144 A145 K151Q144-P148 WeakPolarHBondContact O-CD 3.44Å; A145-P148 WeakPolarHBondContact O-CD 3.41Å; A145-P148 WeakPolarHBondContact O-CG 3.12Å; P148-K151 PolarHBondContact O-N 3.49Å
149I98.8Very high98.8Very high39 Ų3948.3 Ų48.320%0.225%0.247CC..Hα-helixtrans-65.4-45.6173.5-66.2169.3000109.7M106 I107 L110 A145 L146 E147 K151 Q152 T153M106-I149 HydrophobicContact CE-CG2 3.83Å; I107-I149 HydrophobicContact CD1-CG2 4.21Å; I107-I149 HydrophobicContact CG1-CG2 3.91Å; L110-I149 HydrophobicContact CD1-CD1 3.71Å; A145-I149 WeakPolarHBondContact O-CD1 3.44Å; A145-I149 WeakPolarHBondContact O-CG1 3.4Å; L146-I149 WeakPolarHBondContact O-CB 3.4Å; L146-I149 PolarHBondContact O-N 2.75Å; L146-I149 VanDerWaalsContact O-N 3.13Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.3Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 2.97Å; I149-Q152 PolarHBondContact O-N 3.01Å; I149-Q152 VanDerWaalsContact O-N 3.1Å; I149-T153 HydrophobicContact CG2-CG2 4.47Å; I149-T153 PolarHBondContact O-N 2.96Å; I149-T153 VanDerWaalsContact O-N 3.11Å; I149-T153 PolarHBondContact O-OG1 3.48Å
150L98.9Very high98.7Very high0 Ų049.8 Ų49.80%026%0.262CS..Hα-helixtrans-65.6-34.8178.2-69172000111.8I107 L146 E147 Q152 T153 A154 C158 T189 I190 L193I107-L150 HydrophobicContact CD1-CD2 3.89Å; L146-L150 HydrophobicContact CD1-CD1 3.93Å; L146-L150 HydrophobicContact CD1-CD2 4.33Å; L146-L150 HydrophobicContact CD1-CG 3.85Å; L146-L150 HydrophobicContact CD2-CD1 4.1Å; L146-L150 HydrophobicContact CG-CD1 3.62Å; L146-L150 HydrophobicContact CG-CG 4.03Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.21Å; E147-L150 PolarHBondContact O-N 3.5Å; L150-Q152 PolarHBondContact O-N 2.96Å; L150-Q152 VanDerWaalsContact O-N 3.14Å; L150-T153 WeakPolarHBondContact CA-OG1 3.43Å; L150-T153 PolarHBondContact O-N 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.24Å; L150-A154 PolarHBondContact O-N 2.89Å; L150-C158 HydrophobicContact CD2-CB 3.86Å; L150-T189 HydrophobicContact CB-CG2 3.82Å; L150-I190 HydrophobicContact CD1-CD1 4.45Å; L150-I190 HydrophobicContact CD1-CG1 3.55Å; L150-L193 HydrophobicContact CB-CD1 4.28Å; L150-L193 HydrophobicContact CD1-CD1 3.87Å; L150-L193 HydrophobicContact CD2-CD1 3.98Å; L150-L193 HydrophobicContact CG-CD1 4.28Å
151K98.6Very high98.7Very high136 Ų13653.3 Ų53.359%0.59128%0.281SS*.Hα-helixtrans-57.6-27.5172.3-74.3178.5-178.9177.80113.7E147 P148 I149 T189E147-K151 WeakPolarHBondContact O-CG 3.49Å; E147-K151 PolarHBondContact O-N 3.44Å; E147-K151 WeakPolarHBondContact OE1-CE 3.33Å; P148-K151 PolarHBondContact O-N 3.49Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 2.97Å; K151-T189 WeakPolarHBondContact CG-OG1 3.46Å
152Q98.5Very high98.6Very high169 Ų16952.6 Ų52.679%0.7928%0.284SS*.Hα-helixtrans-92.8-26.4179.9-64.6178.28.600113.4I149 L150I149-Q152 PolarHBondContact O-N 3.01Å; I149-Q152 VanDerWaalsContact O-N 3.1Å; L150-Q152 PolarHBondContact O-N 2.96Å; L150-Q152 VanDerWaalsContact O-N 3.14Å
153T98.7Very high98.6Very high17 Ų1753.7 Ų53.710%0.10429%0.288CS..Hα-helixtrans-109.1-27.3-168.850.30000113.2Q103 I149 L150 C158 V159 G160Q103-T153 HydrophobicContact CB-CG2 4.42Å; Q103-T153 HydrophobicContact CG-CG2 4.23Å; I149-T153 HydrophobicContact CG2-CG2 4.47Å; I149-T153 PolarHBondContact O-N 2.96Å; I149-T153 VanDerWaalsContact O-N 3.11Å; I149-T153 PolarHBondContact O-OG1 3.48Å; L150-T153 WeakPolarHBondContact CA-OG1 3.43Å; L150-T153 PolarHBondContact O-N 3.28Å; T153-C158 CarbonylContact C-O 3.44Å; T153-C158 PolarHBondContact OG1-O 3.39Å; T153-V159 WeakPolarHBondContact O-CA 3.2Å; T153-G160 PolarHBondContact O-N 3.3Å
154A98.6Very high98.6Very high28 Ų2853.9 Ų53.923%0.23129%0.289CS..BIsolated β-bridgetrans-76.7132.1-172.700000112.4L150 Y157 C158 T189 L193L150-A154 WeakPolarHBondContact O-CB 3.24Å; L150-A154 PolarHBondContact O-N 2.89Å; A154-Y157 WeakPolarHBondContact CA-O 3.34Å; A154-Y157 VanDerWaalsContact CB-O 3.27Å; A154-Y157 WeakPolarHBondContact CB-O 3.2Å; A154-C158 WeakPolarHBondContact CA-O 3.47Å; A154-C158 PolarHBondContact N-O 3.37Å; A154-T189 HydrophobicContact CB-CG2 4.34Å; A154-L193 HydrophobicContact CB-CD1 4.1Å; A154-L193 HydrophobicContact CB-CD2 4.29Å
155G98.4Very high98.6Very high28 Ų2848.2 Ų48.229%0.28926%0.263SS..SBendtrans-101.9-119.2157.700000108.4Y157 G160 R192G155-Y157 VanDerWaalsContact C-N 3.26Å; G155-Y157 PolarHBondContact N-O 3.43Å; G155-Y157 VanDerWaalsContact N-O 3.16Å; G155-Y157 PolarHBondContact O-N 3.39Å; G155-G160 CarbonylContact C-O 3.56Å; G155-G160 VanDerWaalsContact CA-O 3.26Å; G155-G160 WeakPolarHBondContact CA-O 3.46Å; G155-G160 PolarHBondContact N-O 2.67Å; G155-G160 VanDerWaalsContact N-O 3.17Å; G155-R192 PolarHBondContact O-NH1 3.38Å; G155-R192 PolarHBondContact O-NH2 2.99Å
156K98.4Very high98.6Very high112 Ų11246 Ų4649%0.48724%0.244SC..SBendtrans-59.3-39.1168.2-169.5175.7178.6177.70111.7G160 D161 R192 L193 T196K156-G160 PolarHBondContact N-O 3.15Å; K156-G160 VanDerWaalsContact N-O 3.15Å; K156-D161 HydrophobicContact CB-CB 4.23Å; K156-D161 WeakPolarHBondContact CB-OD1 3.39Å; K156-D161 PolarHBondContact N-OD1 3.13Å; K156-R192 PolarHBondContact O-NH1 3Å; K156-L193 WeakPolarHBondContact O-CD2 3.23Å; K156-T196 HydrophobicContact CG-CG2 4.4Å
157Y98.9Very high98.6Very high24 Ų2446 Ų469%0.09424%0.244CC..SBendtrans-121.7-173.9-178.4-56.7-55000111.5A154 G155 V159 G160 D161 I163 D167 L193 T196 L197 I200A154-Y157 WeakPolarHBondContact CA-O 3.34Å; A154-Y157 VanDerWaalsContact CB-O 3.27Å; A154-Y157 WeakPolarHBondContact CB-O 3.2Å; G155-Y157 VanDerWaalsContact C-N 3.26Å; G155-Y157 PolarHBondContact N-O 3.43Å; G155-Y157 VanDerWaalsContact N-O 3.16Å; G155-Y157 PolarHBondContact O-N 3.39Å; Y157-V159 PolarHBondContact O-N 2.86Å; Y157-G160 PolarHBondContact N-O 2.98Å; Y157-D161 VanDerWaalsContact CD2-C 3.42Å; Y157-D161 VanDerWaalsContact CD2-O 3.22Å; Y157-D161 WeakPolarHBondContact CD2-O 3.39Å; Y157-D161 WeakPolarHBondContact CE2-O 3.45Å; Y157-I163 HydrophobicContact CD1-CG1 4.3Å; Y157-I163 HydrophobicContact CD2-CG1 3.86Å; Y157-I163 HydrophobicContact CE1-CG1 4.03Å; Y157-I163 HydrophobicContact CE2-CG1 3.52Å; Y157-I163 HydrophobicContact CG-CG1 4.22Å; Y157-D167 WeakPolarHBondContact CB-OD1 3.42Å; Y157-L193 VanDerWaalsContact CA-CD2 3.49Å; Y157-T196 HydrophobicContact CE1-CG2 4.07Å; Y157-L197 HydrophobicContact CD1-CD2 3.52Å; Y157-L197 HydrophobicContact CD1-CG 4.23Å; Y157-L197 HydrophobicContact CE1-CD2 3.82Å; Y157-L197 HydrophobicContact CG-CD2 4.44Å; Y157-I200 HydrophobicContact CE1-CD1 3.71Å
158C98.8Very high98.6Very high0 Ų045.4 Ų45.40%024%0.241CC..SBendtrans-56.2-36-173.4-73.10000113.7L150 T153 A154 A166 D167L150-C158 HydrophobicContact CD2-CB 3.86Å; T153-C158 CarbonylContact C-O 3.44Å; T153-C158 PolarHBondContact OG1-O 3.39Å; A154-C158 WeakPolarHBondContact CA-O 3.47Å; A154-C158 PolarHBondContact N-O 3.37Å; C158-A166 HydrophobicContact CB-CB 3.62Å; C158-D167 VanDerWaalsContact CB-OD1 3.32Å; C158-D167 WeakPolarHBondContact CB-OD1 3.08Å; C158-D167 PolarHBondContact N-OD1 3.12Å; C158-D167 PolarHBondContact SG-OD1 2.79Å
159V98.8Very high98.7Very high17 Ų1742.5 Ų42.510%0.10322%0.222CC..SBendtrans-134100.9177.7-175.80000108.8A100 Q103 V104 I107 T153 Y157A100-V159 HydrophobicContact CB-CG1 4.35Å; Q103-V159 HydrophobicContact CB-CG1 4.28Å; Q103-V159 HydrophobicContact CB-CG2 4.24Å; V104-V159 HydrophobicContact CB-CG2 4.5Å; V104-V159 HydrophobicContact CG2-CB 3.77Å; V104-V159 HydrophobicContact CG2-CG1 4.11Å; V104-V159 HydrophobicContact CG2-CG2 3.64Å; I107-V159 HydrophobicContact CD1-CG2 3.7Å; T153-V159 WeakPolarHBondContact O-CA 3.2Å; Y157-V159 PolarHBondContact O-N 2.86Å
160G98.3Very high98.7Very high30 Ų3040.7 Ų40.731%0.30921%0.213SC..BIsolated β-bridgetrans64.7-141.7-175.400000113.4T153 G155 K156 Y157T153-G160 PolarHBondContact O-N 3.3Å; G155-G160 CarbonylContact C-O 3.56Å; G155-G160 VanDerWaalsContact CA-O 3.26Å; G155-G160 WeakPolarHBondContact CA-O 3.46Å; G155-G160 PolarHBondContact N-O 2.67Å; G155-G160 VanDerWaalsContact N-O 3.17Å; K156-G160 PolarHBondContact N-O 3.15Å; K156-G160 VanDerWaalsContact N-O 3.15Å; Y157-G160 PolarHBondContact N-O 2.98Å
161D98.3Very high98.7Very high114 Ų11441 Ų4161%0.6122%0.215SC*.THydrogen-bonded Turntrans-113.35.1-168.1-61-35.8000114.8K156 Y157K156-D161 HydrophobicContact CB-CB 4.23Å; K156-D161 WeakPolarHBondContact CB-OD1 3.39Å; K156-D161 PolarHBondContact N-OD1 3.13Å; Y157-D161 VanDerWaalsContact CD2-C 3.42Å; Y157-D161 VanDerWaalsContact CD2-O 3.22Å; Y157-D161 WeakPolarHBondContact CD2-O 3.39Å; Y157-D161 WeakPolarHBondContact CE2-O 3.45Å
162E97.5Very high98.7Very high141 Ų14134.5 Ų34.566%0.65919%0.186SC*.SBendtrans-109.7140.2175.4-67.2-177.7-132.800111.4S164E162-S164 PolarHBondContact O-N 3.42Å
163I98.7Very high98.7Very high33 Ų3326.4 Ų26.417%0.16915%0.149CC..  trans-66.3133.7177.5-57.6171000108.4L31 Y157 D167 I200 F203L31-I163 HydrophobicContact CD1-CG2 3.86Å; L31-I163 HydrophobicContact CD2-CD1 4.02Å; L31-I163 HydrophobicContact CD2-CG2 4.45Å; Y157-I163 HydrophobicContact CD1-CG1 4.3Å; Y157-I163 HydrophobicContact CD2-CG1 3.86Å; Y157-I163 HydrophobicContact CE1-CG1 4.03Å; Y157-I163 HydrophobicContact CE2-CG1 3.52Å; Y157-I163 HydrophobicContact CG-CG1 4.22Å; I163-D167 HydrophobicContact CG2-CB 4.08Å; I163-I200 HydrophobicContact CD1-CD1 3.5Å; I163-I200 HydrophobicContact CD1-CG2 4.2Å; I163-I200 HydrophobicContact CG1-CD1 4.17Å; I163-F203 HydrophobicContact CD1-CE2 4.46Å; I163-F203 HydrophobicContact CG2-CE2 4.27Å; I163-F203 HydrophobicContact CG2-CZ 4.3Å
164S98.9Very high98.7Very high4 Ų425.6 Ų25.63%0.02814%0.144CC..  trans-132.5175.3-176.471.70000112.1L93 E162 A166 D167 I168L93-S164 CarbonylContact O-C 3.55Å; L93-S164 WeakPolarHBondContact O-CA 3.12Å; E162-S164 PolarHBondContact O-N 3.42Å; S164-A166 PolarHBondContact O-N 3Å; S164-A166 VanDerWaalsContact O-N 3.13Å; S164-A166 WeakPolarHBondContact OG-CB 3.14Å; S164-A166 PolarHBondContact OG-N 3.5Å; S164-D167 PolarHBondContact N-OD2 2.87Å; S164-D167 WeakPolarHBondContact O-CB 3.42Å; S164-D167 PolarHBondContact O-N 2.87Å; S164-D167 PolarHBondContact OG-OD2 2.92Å; S164-I168 WeakPolarHBondContact O-CG1 3.4Å; S164-I168 PolarHBondContact O-N 2.92Å
165M98.9Very high98.7Very high1 Ų126.9 Ų26.91%0.00514%0.143CC..Hα-helixtrans-56-27.7172.9-173169.572.300113L78 I81 Q82 L93 L94 V104 R105 D167 I168 C169L78-M165 HydrophobicContact CB-SD 4.38Å; L78-M165 HydrophobicContact CD2-CG 4.28Å; L78-M165 HydrophobicContact CD2-SD 4.04Å; I81-M165 HydrophobicContact CB-SD 4.15Å; I81-M165 HydrophobicContact CD1-CG 4.47Å; I81-M165 HydrophobicContact CG2-CB 4.38Å; I81-M165 HydrophobicContact CG2-CG 3.91Å; I81-M165 HydrophobicContact CG2-SD 3.76Å; Q82-M165 HydrophobicContact CG-SD 4.26Å; L93-M165 PolarHBondContact O-N 3.14Å; L94-M165 HydrophobicContact CD2-CB 4.28Å; L94-M165 HydrophobicContact CD2-CE 4.05Å; V104-M165 HydrophobicContact CG1-CB 3.88Å; R105-M165 HydrophobicContact CG-CE 4.21Å; M165-D167 VanDerWaalsContact C-N 3.35Å; M165-D167 PolarHBondContact O-N 3.27Å; M165-I168 WeakPolarHBondContact O-CB 3.43Å; M165-I168 PolarHBondContact O-N 2.87Å; M165-C169 PolarHBondContact O-N 3.46Å; M165-C169 PolarHBondContact O-SG 3Å
166A98.9Very high98.7Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-62.9-42.317600000111.6V104 I107 S108 C158 S164 C169 L170V104-A166 HydrophobicContact CG1-CB 4.19Å; I107-A166 HydrophobicContact CB-CB 3.93Å; I107-A166 HydrophobicContact CD1-CB 4.48Å; I107-A166 HydrophobicContact CG2-CB 3.64Å; S108-A166 PolarHBondContact OG-N 3.29Å; C158-A166 HydrophobicContact CB-CB 3.62Å; S164-A166 PolarHBondContact O-N 3Å; S164-A166 VanDerWaalsContact O-N 3.13Å; S164-A166 WeakPolarHBondContact OG-CB 3.14Å; S164-A166 PolarHBondContact OG-N 3.5Å; A166-C169 WeakPolarHBondContact O-CB 3.46Å; A166-C169 PolarHBondContact O-N 3.45Å; A166-L170 WeakPolarHBondContact O-CB 3.48Å; A166-L170 PolarHBondContact O-N 3.02Å
167D98.9Very high98.7Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-67.1-41.4177.5-56.4-72.7000111.6Y157 C158 I163 S164 M165 C169 L170 V171 L197 F203Y157-D167 WeakPolarHBondContact CB-OD1 3.42Å; C158-D167 VanDerWaalsContact CB-OD1 3.32Å; C158-D167 WeakPolarHBondContact CB-OD1 3.08Å; C158-D167 PolarHBondContact N-OD1 3.12Å; C158-D167 PolarHBondContact SG-OD1 2.79Å; I163-D167 HydrophobicContact CG2-CB 4.08Å; S164-D167 PolarHBondContact N-OD2 2.87Å; S164-D167 WeakPolarHBondContact O-CB 3.42Å; S164-D167 PolarHBondContact O-N 2.87Å; S164-D167 PolarHBondContact OG-OD2 2.92Å; M165-D167 VanDerWaalsContact C-N 3.35Å; M165-D167 PolarHBondContact O-N 3.27Å; D167-C169 PolarHBondContact O-N 3.13Å; D167-L170 PolarHBondContact O-N 3.39Å; D167-L170 VanDerWaalsContact O-N 3.16Å; D167-V171 PolarHBondContact O-N 2.6Å; D167-L197 HydrophobicContact CB-CD1 3.69Å; D167-L197 HydrophobicContact CB-CD2 3.78Å; D167-L197 HydrophobicContact CB-CG 4.41Å; D167-F203 HydrophobicContact CB-CZ 4.36Å
168I98.9Very high98.7Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-58.1-36.8174-61.7177.7000110.6R24 I27 A28 L31 I81 L93 S164 M165 P172R24-I168 HydrophobicContact CB-CG2 3.77Å; R24-I168 HydrophobicContact CG-CG2 4.25Å; R24-I168 WeakPolarHBondContact CG-O 3.46Å; R24-I168 WeakPolarHBondContact O-CG2 3.48Å; I27-I168 HydrophobicContact CB-CG2 4.17Å; I27-I168 HydrophobicContact CD1-CG2 4.48Å; I27-I168 HydrophobicContact CG2-CB 4.45Å; I27-I168 HydrophobicContact CG2-CD1 4.48Å; I27-I168 HydrophobicContact CG2-CG1 3.82Å; I27-I168 HydrophobicContact CG2-CG2 4.32Å; A28-I168 HydrophobicContact CB-CD1 4.14Å; L31-I168 HydrophobicContact CD1-CD1 3.81Å; L31-I168 HydrophobicContact CD1-CG1 3.97Å; I81-I168 HydrophobicContact CD1-CG2 3.78Å; I81-I168 HydrophobicContact CG2-CD1 4.46Å; L93-I168 HydrophobicContact CD1-CD1 3.94Å; L93-I168 HydrophobicContact CD2-CD1 4.01Å; L93-I168 HydrophobicContact CG-CD1 4.38Å; S164-I168 WeakPolarHBondContact O-CG1 3.4Å; S164-I168 PolarHBondContact O-N 2.92Å; M165-I168 WeakPolarHBondContact O-CB 3.43Å; M165-I168 PolarHBondContact O-N 2.87Å; I168-P172 WeakPolarHBondContact O-CD 3.39Å; I168-P172 WeakPolarHBondContact O-CG 3.33Å
169C98.9Very high98.6Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-77.1-37.1175.2-69.20000113.5L78 I111 M165 A166 D167 Q173L78-C169 VanDerWaalsContact CD2-SG 3.5Å; I111-C169 HydrophobicContact CB-CB 4.19Å; I111-C169 HydrophobicContact CD1-CB 3.84Å; I111-C169 HydrophobicContact CG2-CB 4.04Å; M165-C169 PolarHBondContact O-N 3.46Å; M165-C169 PolarHBondContact O-SG 3Å; A166-C169 WeakPolarHBondContact O-CB 3.46Å; A166-C169 PolarHBondContact O-N 3.45Å; D167-C169 PolarHBondContact O-N 3.13Å; C169-Q173 WeakPolarHBondContact O-CB 3.37Å; C169-Q173 PolarHBondContact O-N 3.27Å
170L98.9Very high98.6Very high0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-63.7-54.9-174.3-176.567.5000111.9I111 L146 A166 D167 Q173 V174 I190 L193 L197I111-L170 HydrophobicContact CD1-CB 4.37Å; I111-L170 HydrophobicContact CD1-CD1 4.38Å; L146-L170 HydrophobicContact CD2-CD1 3.94Å; A166-L170 WeakPolarHBondContact O-CB 3.48Å; A166-L170 PolarHBondContact O-N 3.02Å; D167-L170 PolarHBondContact O-N 3.39Å; D167-L170 VanDerWaalsContact O-N 3.16Å; L170-Q173 CarbonylContact O-C 3.31Å; L170-Q173 WeakPolarHBondContact O-CA 3.35Å; L170-Q173 WeakPolarHBondContact O-CB 3.38Å; L170-Q173 PolarHBondContact O-N 3.26Å; L170-V174 HydrophobicContact CD1-CG2 4.05Å; L170-V174 HydrophobicContact CG-CG2 4.13Å; L170-V174 PolarHBondContact O-N 2.88Å; L170-I190 HydrophobicContact CD1-CG1 4.39Å; L170-I190 HydrophobicContact CD1-CG2 4.14Å; L170-L193 HydrophobicContact CD2-CB 3.64Å; L170-L193 HydrophobicContact CD2-CD1 4.2Å; L170-L197 HydrophobicContact CD2-CD1 4.4Å
171V98.9Very high98.6Very high6 Ų635.1 Ų35.14%0.03616%0.161CC..Hα-helixtrans-58.2-49.6-171.8171.90000112.5W23 D167 Q173 V174 Y175 L197 F203W23-V171 HydrophobicContact CH2-CG1 3.81Å; W23-V171 HydrophobicContact CZ2-CG1 3.79Å; D167-V171 PolarHBondContact O-N 2.6Å; V171-Q173 PolarHBondContact O-N 3.39Å; V171-V174 PolarHBondContact O-N 3.16Å; V171-Y175 PolarHBondContact O-N 3.1Å; V171-L197 HydrophobicContact CG2-CB 3.59Å; V171-L197 HydrophobicContact CG2-CD1 3.65Å; V171-L197 HydrophobicContact CG2-CG 4.26Å; V171-F203 HydrophobicContact CB-CD1 3.88Å; V171-F203 HydrophobicContact CB-CE1 3.92Å; V171-F203 HydrophobicContact CG1-CD1 3.97Å; V171-F203 HydrophobicContact CG2-CD1 3.69Å; V171-F203 HydrophobicContact CG2-CE1 3.58Å
172P98.9Very high98.7Very high0 Ų030.1 Ų30.10%014%0.135CC..Hα-helixtrans-63.7-25.1176.3-23.636.2000114S20 W23 R24 I27 I168 N176S20-P172 WeakPolarHBondContact CB-O 3.46Å; S20-P172 WeakPolarHBondContact O-CB 3.42Å; W23-P172 HydrophobicContact CB-CB 4.16Å; W23-P172 HydrophobicContact CB-CG 3.96Å; W23-P172 HydrophobicContact CD2-CB 4.12Å; W23-P172 HydrophobicContact CD2-CG 3.83Å; W23-P172 HydrophobicContact CE3-CB 3.75Å; W23-P172 HydrophobicContact CE3-CG 3.95Å; W23-P172 HydrophobicContact CG-CB 4.35Å; W23-P172 HydrophobicContact CG-CG 3.88Å; W23-P172 HydrophobicContact CZ3-CB 4.49Å; R24-P172 HydrophobicContact CG-CG 4.06Å; I27-P172 HydrophobicContact CD1-CG 3.87Å; I168-P172 WeakPolarHBondContact O-CD 3.39Å; I168-P172 WeakPolarHBondContact O-CG 3.33Å; P172-N176 PolarHBondContact O-N 3.36Å
173Q98.9Very high98.7Very high0 Ų028.6 Ų28.60%013%0.131CC..Hα-helixtrans-79.9-36.6177.5-173.357.435.200112.1I111 I115 F143 C169 L170 V171 N176 A177I111-Q173 HydrophobicContact CG2-CB 3.71Å; I111-Q173 HydrophobicContact CG2-CG 3.86Å; I115-Q173 HydrophobicContact CG2-CG 4.44Å; F143-Q173 HydrophobicContact CE1-CG 3.7Å; F143-Q173 HydrophobicContact CZ-CG 3.98Å; C169-Q173 WeakPolarHBondContact O-CB 3.37Å; C169-Q173 PolarHBondContact O-N 3.27Å; L170-Q173 CarbonylContact O-C 3.31Å; L170-Q173 WeakPolarHBondContact O-CA 3.35Å; L170-Q173 WeakPolarHBondContact O-CB 3.38Å; L170-Q173 PolarHBondContact O-N 3.26Å; V171-Q173 PolarHBondContact O-N 3.39Å; Q173-N176 WeakPolarHBondContact O-CB 3.14Å; Q173-N176 PolarHBondContact O-N 3.14Å; Q173-A177 PolarHBondContact O-N 3.29Å
174V98.9Very high98.7Very high0 Ų027.7 Ų27.70%013%0.127CC..Hα-helixtrans-63.8-43.6172.1175.20000110.4F143 L170 V171 N176 A177 E178 V184 I190 N194F143-V174 HydrophobicContact CE2-CG2 4.47Å; F143-V174 HydrophobicContact CZ-CG2 4.09Å; L170-V174 HydrophobicContact CD1-CG2 4.05Å; L170-V174 HydrophobicContact CG-CG2 4.13Å; L170-V174 PolarHBondContact O-N 2.88Å; V171-V174 PolarHBondContact O-N 3.16Å; V174-N176 VanDerWaalsContact C-N 3.28Å; V174-N176 PolarHBondContact O-N 3.24Å; V174-A177 WeakPolarHBondContact O-CA 3.4Å; V174-A177 VanDerWaalsContact O-CB 3.25Å; V174-A177 WeakPolarHBondContact O-CB 3.32Å; V174-A177 PolarHBondContact O-N 2.96Å; V174-E178 PolarHBondContact O-N 2.98Å; V174-V184 HydrophobicContact CG1-CG1 4.13Å; V174-V184 HydrophobicContact CG1-CG2 4.23Å; V174-I190 HydrophobicContact CG2-CG2 3.58Å; V174-N194 HydrophobicContact CB-CB 4.36Å; V174-N194 HydrophobicContact CG1-CB 4.07Å; V174-N194 HydrophobicContact CG2-CB 4.18Å
175Y98.7Very high98.7Very high55 Ų5529.4 Ų29.422%0.21615%0.145CC..Hα-helixtrans-57.4-39.6172.8177.7-94.5000113.1R18 W23 V171 R179 P208R18-Y175 HydrophobicContact CG-CE1 4.02Å; W23-Y175 HydrophobicContact CH2-CD2 4.41Å; W23-Y175 HydrophobicContact CH2-CG 4.38Å; W23-Y175 HydrophobicContact CZ3-CD1 4.05Å; W23-Y175 AromaticContact CZ3-CD2 3.99Å; W23-Y175 HydrophobicContact CZ3-CD2 3.99Å; W23-Y175 AromaticContact CZ3-CG 3.59Å; W23-Y175 HydrophobicContact CZ3-CG 3.59Å; V171-Y175 PolarHBondContact O-N 3.1Å; Y175-R179 WeakPolarHBondContact O-CB 3.28Å; Y175-R179 PolarHBondContact O-N 3Å; Y175-P208 HydrophobicContact CE1-CG 4.25Å
176N98.7Very high98.6Very high2 Ų233.7 Ų33.71%0.01117%0.165CC..Hα-helixtrans-64.5-41.9173-81-14.7000111.6S20 Q119 P172 Q173 V174 E178 R179 F180S20-N176 VanDerWaalsContact CB-ND2 3.33Å; S20-N176 WeakPolarHBondContact CB-ND2 3.31Å; S20-N176 PolarHBondContact OG-ND2 3.02Å; Q119-N176 PolarHBondContact OE1-ND2 3.41Å; P172-N176 PolarHBondContact O-N 3.36Å; Q173-N176 WeakPolarHBondContact O-CB 3.14Å; Q173-N176 PolarHBondContact O-N 3.14Å; V174-N176 VanDerWaalsContact C-N 3.28Å; V174-N176 PolarHBondContact O-N 3.24Å; N176-E178 PolarHBondContact O-N 3.29Å; N176-R179 PolarHBondContact O-N 2.9Å; N176-R179 VanDerWaalsContact OD1-CZ 3.24Å; N176-R179 PolarHBondContact OD1-NH1 3.13Å; N176-R179 VanDerWaalsContact OD1-NH1 3.16Å; N176-R179 PolarHBondContact OD1-NH2 2.91Å; N176-R179 VanDerWaalsContact OD1-NH2 3.1Å; N176-F180 WeakPolarHBondContact O-CD2 3.25Å; N176-F180 PolarHBondContact O-N 3.23Å
177A98.8Very high98.6Very high0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-56.5-49.6176.900000111.4I139 F143 Q173 V174 R179 F180 K181 V182 V184I139-A177 HydrophobicContact CG2-CB 3.61Å; F143-A177 HydrophobicContact CE2-CB 3.57Å; F143-A177 HydrophobicContact CZ-CB 3.99Å; Q173-A177 PolarHBondContact O-N 3.29Å; V174-A177 WeakPolarHBondContact O-CA 3.4Å; V174-A177 VanDerWaalsContact O-CB 3.25Å; V174-A177 WeakPolarHBondContact O-CB 3.32Å; V174-A177 PolarHBondContact O-N 2.96Å; A177-R179 PolarHBondContact O-N 3.31Å; A177-F180 CarbonylContact O-C 3.39Å; A177-F180 PolarHBondContact O-N 3.21Å; A177-F180 VanDerWaalsContact O-N 3.13Å; A177-K181 PolarHBondContact O-N 3.12Å; A177-K181 VanDerWaalsContact O-N 3.11Å; A177-V182 HydrophobicContact CB-CB 4.06Å; A177-V182 HydrophobicContact CB-CG1 4.4Å; A177-V182 WeakPolarHBondContact O-CB 3.43Å; A177-V182 PolarHBondContact O-N 3.04Å; A177-V184 HydrophobicContact CB-CG2 4.07Å
178E98.4Very high98.6Very high105 Ų10537.8 Ų37.849%0.49119%0.191SC..Hα-helixtrans-61.3-43.9176.7-66.6172.4160.400111.7V174 N176 F180 K181 V184V174-E178 PolarHBondContact O-N 2.98Å; N176-E178 PolarHBondContact O-N 3.29Å; E178-F180 PolarHBondContact O-N 2.68Å; E178-K181 WeakPolarHBondContact O-CA 3.46Å; E178-K181 PolarHBondContact O-N 2.98Å; E178-V184 HydrophobicContact CG-CG2 4.04Å
179R97.3Very high98.6Very high83 Ų8338.6 Ų38.631%0.31320%0.196SC..Hα-helixtrans-59.6-34175.8-170.7-177.971.1-153.8-3112.6R18 Y175 N176 A177 K181R18-R179 PolarHBondContact O-NH1 3.41Å; Y175-R179 WeakPolarHBondContact O-CB 3.28Å; Y175-R179 PolarHBondContact O-N 3Å; N176-R179 PolarHBondContact O-N 2.9Å; N176-R179 VanDerWaalsContact OD1-CZ 3.24Å; N176-R179 PolarHBondContact OD1-NH1 3.13Å; N176-R179 VanDerWaalsContact OD1-NH1 3.16Å; N176-R179 PolarHBondContact OD1-NH2 2.91Å; N176-R179 VanDerWaalsContact OD1-NH2 3.1Å; A177-R179 PolarHBondContact O-N 3.31Å; R179-K181 VanDerWaalsContact C-N 3.28Å
180F98.4Very high98.6Very high25 Ų2538.6 Ų38.611%0.1120%0.196CC..THydrogen-bonded Turntrans-90.213.4174.5-68.2-63.4000113.2Q119 L124 L132 A135 Q136 I139 N176 A177 E178 V182Q119-F180 HydrophobicContact CB-CE2 4.41Å; L124-F180 HydrophobicContact CD1-CE1 3.81Å; L124-F180 HydrophobicContact CD1-CE2 4.49Å; L124-F180 HydrophobicContact CD1-CZ 3.49Å; L124-F180 VanDerWaalsContact CD1-CZ 3.49Å; L132-F180 HydrophobicContact CD1-CB 4.23Å; L132-F180 HydrophobicContact CD1-CD1 3.99Å; L132-F180 WeakPolarHBondContact CD1-O 3.4Å; A135-F180 HydrophobicContact CB-CB 4.38Å; A135-F180 HydrophobicContact CB-CD1 3.74Å; A135-F180 HydrophobicContact CB-CD2 3.94Å; A135-F180 HydrophobicContact CB-CE1 3.9Å; A135-F180 HydrophobicContact CB-CE2 4.1Å; A135-F180 HydrophobicContact CB-CG 3.77Å; A135-F180 HydrophobicContact CB-CZ 4.08Å; Q136-F180 VanDerWaalsContact CG-O 3.25Å; Q136-F180 WeakPolarHBondContact CG-O 3.36Å; Q136-F180 PolarHBondContact NE2-O 3.16Å; I139-F180 HydrophobicContact CD1-CB 4.22Å; I139-F180 HydrophobicContact CD1-CD2 3.64Å; I139-F180 HydrophobicContact CD1-CE2 4.46Å; I139-F180 HydrophobicContact CD1-CG 4.31Å; N176-F180 WeakPolarHBondContact O-CD2 3.25Å; N176-F180 PolarHBondContact O-N 3.23Å; A177-F180 CarbonylContact O-C 3.39Å; A177-F180 PolarHBondContact O-N 3.21Å; A177-F180 VanDerWaalsContact O-N 3.13Å; E178-F180 PolarHBondContact O-N 2.68Å; F180-V182 PolarHBondContact O-N 3.44Å
181K98.4Very high98.6Very high168 Ų16843 Ų4373%0.7322%0.215SC*.THydrogen-bonded Turntrans58.231176.6-50.6-178.9177.9-175.30113.5A177 E178 R179A177-K181 PolarHBondContact O-N 3.12Å; A177-K181 VanDerWaalsContact O-N 3.11Å; E178-K181 WeakPolarHBondContact O-CA 3.46Å; E178-K181 PolarHBondContact O-N 2.98Å; R179-K181 VanDerWaalsContact C-N 3.28Å
182V98.7Very high98.6Very high10 Ų1046.9 Ų46.96%0.06123%0.229CC..  trans-75.1130.4168.3172.50000108Q136 I139 N140 A177 F180 V184 Y187Q136-V182 HydrophobicContact CB-CG2 4.21Å; Q136-V182 HydrophobicContact CG-CG2 3.98Å; I139-V182 HydrophobicContact CB-CG2 4.16Å; I139-V182 HydrophobicContact CG2-CB 4.34Å; I139-V182 HydrophobicContact CG2-CG1 4.19Å; I139-V182 HydrophobicContact CG2-CG2 3.94Å; N140-V182 WeakPolarHBondContact OD1-CG1 2.86Å; A177-V182 HydrophobicContact CB-CB 4.06Å; A177-V182 HydrophobicContact CB-CG1 4.4Å; A177-V182 WeakPolarHBondContact O-CB 3.43Å; A177-V182 PolarHBondContact O-N 3.04Å; F180-V182 PolarHBondContact O-N 3.44Å; V182-V184 PolarHBondContact O-N 2.85Å; V182-V184 VanDerWaalsContact O-N 3.15Å; V182-Y187 HydrophobicContact CG1-CE2 4.41Å
183D98.3Very high98.6Very high109 Ų10946.9 Ų46.958%0.58323%0.229SC*.  trans-70.9106.3172.3178.915000109.4G185 Q186D183-G185 WeakPolarHBondContact OD1-CA 3.41Å; D183-G185 PolarHBondContact OD1-N 3Å; D183-Q186 VanDerWaalsContact O-CG 3.28Å; D183-Q186 WeakPolarHBondContact O-CG 3.38Å; D183-Q186 PolarHBondContact O-NE2 3.25Å
184V98.4Very high98.6Very high13 Ų1348 Ų488%0.07924%0.235CC..G310 helixtrans-76.6-16.1177.2-174.60000111.1V174 A177 E178 V182 Q186 Y187 I190 K191V174-V184 HydrophobicContact CG1-CG1 4.13Å; V174-V184 HydrophobicContact CG1-CG2 4.23Å; A177-V184 HydrophobicContact CB-CG2 4.07Å; E178-V184 HydrophobicContact CG-CG2 4.04Å; V182-V184 PolarHBondContact O-N 2.85Å; V182-V184 VanDerWaalsContact O-N 3.15Å; V184-Q186 PolarHBondContact O-N 3.22Å; V184-Y187 PolarHBondContact O-N 3.3Å; V184-I190 HydrophobicContact CG1-CG2 4.08Å; V184-K191 HydrophobicContact CG1-CB 4.25Å
185G98.3Very high98.6Very high40 Ų4053 Ų5341%0.41226%0.258SS..G310 helixtrans-61.4-25.4178.600000114.2D183 Y187D183-G185 WeakPolarHBondContact OD1-CA 3.41Å; D183-G185 PolarHBondContact OD1-N 3Å; G185-Y187 PolarHBondContact O-N 3.31Å
186Q98.2Very high98.6Very high91 Ų9152.4 Ų52.443%0.42526%0.261SS..G310 helixtrans-69.5-10.9173.576.4-172.4-57.100113.5N140 D183 V184 P188N140-Q186 PolarHBondContact OD1-NE2 3.01Å; D183-Q186 VanDerWaalsContact O-CG 3.28Å; D183-Q186 WeakPolarHBondContact O-CG 3.38Å; D183-Q186 PolarHBondContact O-NE2 3.25Å; V184-Q186 PolarHBondContact O-N 3.22Å; Q186-P188 WeakPolarHBondContact O-CD 3.49Å
187Y98.8Very high98.6Very high8 Ų852.3 Ų52.33%0.03126%0.26CS..  trans-119.777-178.7-50.1-66.3000110.8N140 F143 Q144 E147 V182 V184 G185 T189 I190 K191N140-Y187 VanDerWaalsContact CA-OH 3.3Å; N140-Y187 WeakPolarHBondContact CA-OH 3.31Å; N140-Y187 PolarHBondContact O-OH 2.88Å; N140-Y187 PolarHBondContact OD1-OH 3.17Å; F143-Y187 HydrophobicContact CB-CD1 4Å; F143-Y187 HydrophobicContact CB-CD2 3.79Å; F143-Y187 HydrophobicContact CB-CE1 3.73Å; F143-Y187 HydrophobicContact CB-CE2 3.48Å; F143-Y187 VanDerWaalsContact CB-CE2 3.48Å; F143-Y187 HydrophobicContact CB-CG 4.03Å; F143-Y187 VanDerWaalsContact CB-CZ 3.45Å; F143-Y187 AromaticContact CD2-CD2 3.63Å; F143-Y187 HydrophobicContact CD2-CD2 3.63Å; F143-Y187 AromaticContact CD2-CE2 3.66Å; F143-Y187 HydrophobicContact CD2-CE2 3.66Å; F143-Y187 HydrophobicContact CD2-CG 4.44Å; F143-Y187 HydrophobicContact CG-CD2 4.2Å; F143-Y187 HydrophobicContact CG-CE2 4.09Å; Q144-Y187 HydrophobicContact CG-CE1 3.99Å; E147-Y187 HydrophobicContact CB-CD1 4.12Å; E147-Y187 HydrophobicContact CG-CD1 4.37Å; V182-Y187 HydrophobicContact CG1-CE2 4.41Å; V184-Y187 PolarHBondContact O-N 3.3Å; G185-Y187 PolarHBondContact O-N 3.31Å; Y187-T189 VanDerWaalsContact C-N 3.3Å; Y187-T189 PolarHBondContact O-N 3.2Å; Y187-I190 HydrophobicContact CG-CD1 4.2Å; Y187-I190 PolarHBondContact O-N 3.04Å; Y187-K191 WeakPolarHBondContact O-CB 3.37Å; Y187-K191 PolarHBondContact O-N 2.83Å
188P98.8Very high98.5Very high78 Ų7854.3 Ų54.351%0.50628%0.277SS..Hα-helixtrans-63.3-31.8-168.623.5-34.3000113.9E147 Q186 R192E147-P188 WeakPolarHBondContact OE1-CD 3.4Å; Q186-P188 WeakPolarHBondContact O-CD 3.49Å; P188-R192 WeakPolarHBondContact O-CB 3.39Å; P188-R192 PolarHBondContact O-N 3.21Å
189T98.9Very high98.5Very high18 Ų1855.7 Ų55.711%0.1128%0.283CS..Hα-helixtrans-72.7-47.1178.6-44.90000110.4E147 L150 K151 A154 Y187 K191 R192 L193E147-T189 WeakPolarHBondContact OE1-CB 3.43Å; E147-T189 PolarHBondContact OE1-N 3.01Å; E147-T189 PolarHBondContact OE1-OG1 3.36Å; E147-T189 WeakPolarHBondContact OE2-CB 3.33Å; E147-T189 PolarHBondContact OE2-N 3.3Å; L150-T189 HydrophobicContact CB-CG2 3.82Å; K151-T189 WeakPolarHBondContact CG-OG1 3.46Å; A154-T189 HydrophobicContact CB-CG2 4.34Å; Y187-T189 VanDerWaalsContact C-N 3.3Å; Y187-T189 PolarHBondContact O-N 3.2Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 3.4Å; T189-R192 PolarHBondContact O-N 3.27Å; T189-L193 HydrophobicContact CG2-CD1 4.04Å; T189-L193 WeakPolarHBondContact O-CB 3.38Å; T189-L193 WeakPolarHBondContact O-CD1 3.1Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.34Å; T189-L193 PolarHBondContact O-N 3.27Å
190I98.9Very high98.6Very high0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-55.7-47.9173.2-72.8165.4000110.8F143 L146 E147 L150 L170 V174 V184 Y187 L193 N194F143-I190 HydrophobicContact CB-CD1 3.88Å; F143-I190 HydrophobicContact CD1-CD1 4.1Å; F143-I190 HydrophobicContact CD2-CD1 4.25Å; F143-I190 HydrophobicContact CE2-CG2 4.37Å; F143-I190 HydrophobicContact CG-CD1 3.84Å; L146-I190 HydrophobicContact CB-CD1 4.3Å; L146-I190 HydrophobicContact CD2-CD1 4.14Å; L146-I190 HydrophobicContact CD2-CG1 4.43Å; L146-I190 HydrophobicContact CG-CD1 4.21Å; E147-I190 HydrophobicContact CB-CD1 4.21Å; E147-I190 WeakPolarHBondContact OE2-CG1 3.45Å; E147-I190 PolarHBondContact OE2-N 2.82Å; L150-I190 HydrophobicContact CD1-CD1 4.45Å; L150-I190 HydrophobicContact CD1-CG1 3.55Å; L170-I190 HydrophobicContact CD1-CG1 4.39Å; L170-I190 HydrophobicContact CD1-CG2 4.14Å; V174-I190 HydrophobicContact CG2-CG2 3.58Å; V184-I190 HydrophobicContact CG1-CG2 4.08Å; Y187-I190 HydrophobicContact CG-CD1 4.2Å; Y187-I190 PolarHBondContact O-N 3.04Å; I190-L193 PolarHBondContact O-N 3.38Å; I190-N194 WeakPolarHBondContact O-CB 3.33Å; I190-N194 PolarHBondContact O-N 3.47Å
191K98.9Very high98.6Very high91 Ų9157.1 Ų57.140%0.39629%0.294SS..Hα-helixtrans-58.8-52.6179.4-177.8175.7171.8-1790111.7V184 Y187 T189 L193 N194 E195V184-K191 HydrophobicContact CG1-CB 4.25Å; Y187-K191 WeakPolarHBondContact O-CB 3.37Å; Y187-K191 PolarHBondContact O-N 2.83Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 3.4Å; K191-L193 VanDerWaalsContact C-N 3.32Å; K191-L193 PolarHBondContact O-N 3.27Å; K191-N194 PolarHBondContact O-N 2.88Å; K191-E195 WeakPolarHBondContact CE-OE1 3.42Å; K191-E195 HydrophobicContact CG-CG 4.49Å; K191-E195 IonicContact NZ-OE1 3.9Å; K191-E195 WeakPolarHBondContact O-CG 3.48Å; K191-E195 PolarHBondContact O-N 3.26Å
192R98.8Very high98.6Very high89 Ų8949.7 Ų49.734%0.33626%0.264SS..Hα-helixtrans-56-46.2178.5179.7-165.264.780.3-11.7111.8G155 K156 P188 T189 E195 T196G155-R192 PolarHBondContact O-NH1 3.38Å; G155-R192 PolarHBondContact O-NH2 2.99Å; K156-R192 PolarHBondContact O-NH1 3Å; P188-R192 WeakPolarHBondContact O-CB 3.39Å; P188-R192 PolarHBondContact O-N 3.21Å; T189-R192 PolarHBondContact O-N 3.27Å; R192-E195 PolarHBondContact O-N 3.31Å; R192-T196 WeakPolarHBondContact O-CB 3.38Å; R192-T196 PolarHBondContact O-N 3.42Å; R192-T196 PolarHBondContact O-OG1 3.13Å
193L98.9Very high98.6Very high0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-63-45.9179.9-73168.1000111.1L150 A154 K156 Y157 L170 T189 I190 K191 T196 L197L150-L193 HydrophobicContact CB-CD1 4.28Å; L150-L193 HydrophobicContact CD1-CD1 3.87Å; L150-L193 HydrophobicContact CD2-CD1 3.98Å; L150-L193 HydrophobicContact CG-CD1 4.28Å; A154-L193 HydrophobicContact CB-CD1 4.1Å; A154-L193 HydrophobicContact CB-CD2 4.29Å; K156-L193 WeakPolarHBondContact O-CD2 3.23Å; Y157-L193 VanDerWaalsContact CA-CD2 3.49Å; L170-L193 HydrophobicContact CD2-CB 3.64Å; L170-L193 HydrophobicContact CD2-CD1 4.2Å; T189-L193 HydrophobicContact CG2-CD1 4.04Å; T189-L193 WeakPolarHBondContact O-CB 3.38Å; T189-L193 WeakPolarHBondContact O-CD1 3.1Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.34Å; T189-L193 PolarHBondContact O-N 3.27Å; I190-L193 PolarHBondContact O-N 3.38Å; K191-L193 VanDerWaalsContact C-N 3.32Å; K191-L193 PolarHBondContact O-N 3.27Å; L193-T196 PolarHBondContact O-N 2.96Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 WeakPolarHBondContact O-CD1 3.44Å; L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 3.49Å
194N98.9Very high98.6Very high22 Ų2247.3 Ų47.312%0.11825%0.248CC..Hα-helixtrans-61-46.4177.5-175.973.4000112.4V174 I190 K191 T196 L197 A198V174-N194 HydrophobicContact CB-CB 4.36Å; V174-N194 HydrophobicContact CG1-CB 4.07Å; V174-N194 HydrophobicContact CG2-CB 4.18Å; I190-N194 WeakPolarHBondContact O-CB 3.33Å; I190-N194 PolarHBondContact O-N 3.47Å; K191-N194 PolarHBondContact O-N 2.88Å; N194-T196 VanDerWaalsContact C-N 3.32Å; N194-T196 PolarHBondContact O-N 3.26Å; N194-L197 PolarHBondContact O-N 2.88Å; N194-A198 VanDerWaalsContact O-CB 3.31Å; N194-A198 WeakPolarHBondContact O-CB 3.08Å; N194-A198 PolarHBondContact O-N 2.91Å
195E98.7Very high98.5Very high106 Ų10651.2 Ų51.250%0.49527%0.268SS..Hα-helixtrans-60.6-42.2176.7-71.1170.3167.300111.4K191 R192 A198K191-E195 WeakPolarHBondContact CE-OE1 3.42Å; K191-E195 HydrophobicContact CG-CG 4.49Å; K191-E195 IonicContact NZ-OE1 3.9Å; K191-E195 WeakPolarHBondContact O-CG 3.48Å; K191-E195 PolarHBondContact O-N 3.26Å; R192-E195 PolarHBondContact O-N 3.31Å; E195-A198 PolarHBondContact O-N 3.11Å
196T98.8Very high98.5Very high43 Ų4349.4 Ų49.426%0.26425%0.249SC..Hα-helixtrans-63.6-43.3176.9-55.60000111.7K156 Y157 R192 L193 N194K156-T196 HydrophobicContact CG-CG2 4.4Å; Y157-T196 HydrophobicContact CE1-CG2 4.07Å; R192-T196 WeakPolarHBondContact O-CB 3.38Å; R192-T196 PolarHBondContact O-N 3.42Å; R192-T196 PolarHBondContact O-OG1 3.13Å; L193-T196 PolarHBondContact O-N 2.96Å; N194-T196 VanDerWaalsContact C-N 3.32Å; N194-T196 PolarHBondContact O-N 3.26Å
197L98.8Very high98.5Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-73.2-33.1-178.5-68.9164.3000112.4Y157 D167 L170 V171 L193 N194 E199 I200 F203Y157-L197 HydrophobicContact CD1-CD2 3.52Å; Y157-L197 HydrophobicContact CD1-CG 4.23Å; Y157-L197 HydrophobicContact CE1-CD2 3.82Å; Y157-L197 HydrophobicContact CG-CD2 4.44Å; D167-L197 HydrophobicContact CB-CD1 3.69Å; D167-L197 HydrophobicContact CB-CD2 3.78Å; D167-L197 HydrophobicContact CB-CG 4.41Å; L170-L197 HydrophobicContact CD2-CD1 4.4Å; V171-L197 HydrophobicContact CG2-CB 3.59Å; V171-L197 HydrophobicContact CG2-CD1 3.65Å; V171-L197 HydrophobicContact CG2-CG 4.26Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 WeakPolarHBondContact O-CD1 3.44Å; L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 3.49Å; N194-L197 PolarHBondContact O-N 2.88Å; L197-E199 PolarHBondContact O-N 3.15Å; L197-I200 HydrophobicContact CD2-CD1 3.98Å; L197-I200 WeakPolarHBondContact O-CB 3.46Å; L197-I200 PolarHBondContact O-N 2.96Å; L197-I200 VanDerWaalsContact O-N 3.07Å; L197-F203 HydrophobicContact CB-CD1 4.45Å; L197-F203 HydrophobicContact CB-CE1 4.31Å; L197-F203 HydrophobicContact CB-CE2 4.46Å; L197-F203 HydrophobicContact CB-CZ 4.31Å; L197-F203 HydrophobicContact CD2-CE2 3.91Å; L197-F203 HydrophobicContact CD2-CZ 3.79Å; L197-F203 HydrophobicContact CG-CZ 4.46Å; L197-F203 WeakPolarHBondContact O-CB 3.4Å; L197-F203 WeakPolarHBondContact O-CD2 3.47Å; L197-F203 WeakPolarHBondContact O-CG 3.48Å
198A97.6Very high98.5Very high42 Ų4247.6 Ų47.635%0.34724%0.241SC..Hα-helixtrans-61.9-23.8177.900000112.8N194 E195 I200 K204N194-A198 VanDerWaalsContact O-CB 3.31Å; N194-A198 WeakPolarHBondContact O-CB 3.08Å; N194-A198 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 3.11Å; A198-I200 VanDerWaalsContact C-N 3.3Å; A198-I200 PolarHBondContact O-N 3.21Å; A198-K204 VanDerWaalsContact O-CE 3.23Å; A198-K204 WeakPolarHBondContact O-CE 3.35Å; A198-K204 WeakPolarHBondContact O-CG 3.46Å
199E98.3Very high98.5Very high133 Ų13344.7 Ų44.762%0.62122%0.222SC*.THydrogen-bonded Turntrans-77.1-14.1176.6-69.8-52.214200114.4L197 K204L197-E199 PolarHBondContact O-N 3.15Å; E199-K204 WeakPolarHBondContact O-CE 3.45Å; E199-K204 PolarHBondContact O-NZ 2.83Å; E199-K204 IonicContact OE2-NZ 2.73Å; E199-K204 PolarHBondContact OE2-NZ 3.23Å
200I98.6Very high98.4Very high36 Ų3650.2 Ų50.219%0.18524%0.241CC..SBendtrans-82.9133.1-175.3-57.1177.1000110.2Y157 I163 L197 A198 A202 F203 K204Y157-I200 HydrophobicContact CE1-CD1 3.71Å; I163-I200 HydrophobicContact CD1-CD1 3.5Å; I163-I200 HydrophobicContact CD1-CG2 4.2Å; I163-I200 HydrophobicContact CG1-CD1 4.17Å; L197-I200 HydrophobicContact CD2-CD1 3.98Å; L197-I200 WeakPolarHBondContact O-CB 3.46Å; L197-I200 PolarHBondContact O-N 2.96Å; L197-I200 VanDerWaalsContact O-N 3.07Å; A198-I200 VanDerWaalsContact C-N 3.3Å; A198-I200 PolarHBondContact O-N 3.21Å; I200-A202 VanDerWaalsContact C-N 3.28Å; I200-A202 HydrophobicContact CG2-CB 4.45Å; I200-A202 PolarHBondContact O-N 3.49Å; I200-F203 HydrophobicContact CB-CD2 3.82Å; I200-F203 HydrophobicContact CB-CE2 4.46Å; I200-F203 HydrophobicContact CD1-CE2 4.39Å; I200-F203 HydrophobicContact CG2-CD2 4.01Å; I200-F203 HydrophobicContact CG2-CE2 4.46Å; I200-F203 PolarHBondContact O-N 2.95Å; I200-K204 PolarHBondContact O-N 3.08Å; I200-K204 VanDerWaalsContact O-N 3.1Å
201E98.4Very high98.3Very high103 Ų10350.8 Ų50.848%0.48124%0.244SC..Hα-helixtrans-56.1-39.9-173.1-168.156.9-149.400113.3F203 K204 L205E201-F203 VanDerWaalsContact C-N 3.25Å; E201-F203 PolarHBondContact O-N 3.44Å; E201-K204 PolarHBondContact O-N 3.03Å; E201-K204 VanDerWaalsContact O-N 3.12Å; E201-L205 HydrophobicContact CG-CD1 3.89Å; E201-L205 HydrophobicContact CG-CG 4.07Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.27Å; E201-L205 WeakPolarHBondContact OE1-CD2 3.48Å; E201-L205 WeakPolarHBondContact OE1-CG 3.38Å
202A98.5Very high98.1Very high12 Ų1251.5 Ų51.510%0.09926%0.258CS..Hα-helixtrans-59.1-34.617700000113.2A30 L31 I200 S206A30-A202 HydrophobicContact CB-CB 3.78Å; L31-A202 HydrophobicContact CD2-CB 3.59Å; L31-A202 HydrophobicContact CG-CB 3.83Å; I200-A202 VanDerWaalsContact C-N 3.28Å; I200-A202 HydrophobicContact CG2-CB 4.45Å; I200-A202 PolarHBondContact O-N 3.49Å; A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.15Å; A202-S206 PolarHBondContact O-N 2.77Å; A202-S206 PolarHBondContact O-OG 3.46Å
203F98.6Very high98Very high4 Ų448.9 Ų48.92%0.01825%0.25CS..Hα-helixtrans-79-34.3176.6-68.9-98000111.7I27 I163 D167 V171 L197 I200 E201 S206 H207I27-F203 HydrophobicContact CD1-CD1 3.69Å; I27-F203 HydrophobicContact CD1-CE1 3.73Å; I27-F203 HydrophobicContact CG1-CD1 4Å; I27-F203 HydrophobicContact CG1-CE1 4.25Å; I27-F203 HydrophobicContact CG2-CD1 4.1Å; I27-F203 HydrophobicContact CG2-CD2 4.37Å; I27-F203 HydrophobicContact CG2-CE1 3.76Å; I27-F203 HydrophobicContact CG2-CE2 4.06Å; I27-F203 HydrophobicContact CG2-CG 4.41Å; I27-F203 HydrophobicContact CG2-CZ 3.75Å; I163-F203 HydrophobicContact CD1-CE2 4.46Å; I163-F203 HydrophobicContact CG2-CE2 4.27Å; I163-F203 HydrophobicContact CG2-CZ 4.3Å; D167-F203 HydrophobicContact CB-CZ 4.36Å; V171-F203 HydrophobicContact CB-CD1 3.88Å; V171-F203 HydrophobicContact CB-CE1 3.92Å; V171-F203 HydrophobicContact CG1-CD1 3.97Å; V171-F203 HydrophobicContact CG2-CD1 3.69Å; V171-F203 HydrophobicContact CG2-CE1 3.58Å; L197-F203 HydrophobicContact CB-CD1 4.45Å; L197-F203 HydrophobicContact CB-CE1 4.31Å; L197-F203 HydrophobicContact CB-CE2 4.46Å; L197-F203 HydrophobicContact CB-CZ 4.31Å; L197-F203 HydrophobicContact CD2-CE2 3.91Å; L197-F203 HydrophobicContact CD2-CZ 3.79Å; L197-F203 HydrophobicContact CG-CZ 4.46Å; L197-F203 WeakPolarHBondContact O-CB 3.4Å; L197-F203 WeakPolarHBondContact O-CD2 3.47Å; L197-F203 WeakPolarHBondContact O-CG 3.48Å; I200-F203 HydrophobicContact CB-CD2 3.82Å; I200-F203 HydrophobicContact CB-CE2 4.46Å; I200-F203 HydrophobicContact CD1-CE2 4.39Å; I200-F203 HydrophobicContact CG2-CD2 4.01Å; I200-F203 HydrophobicContact CG2-CE2 4.46Å; I200-F203 PolarHBondContact O-N 2.95Å; E201-F203 VanDerWaalsContact C-N 3.25Å; E201-F203 PolarHBondContact O-N 3.44Å; F203-S206 WeakPolarHBondContact CA-OG 3.32Å; F203-S206 PolarHBondContact O-OG 3.45Å; F203-H207 PolarHBondContact O-N 2.97Å
204K98.3Very high97.9Very high64 Ų6449.2 Ų49.228%0.27825%0.252SS..Hα-helixtrans-64.4-50.6173.4-68.6174.2171.3160.70111.8A198 E199 I200 E201 S206 H207 R210A198-K204 VanDerWaalsContact O-CE 3.23Å; A198-K204 WeakPolarHBondContact O-CE 3.35Å; A198-K204 WeakPolarHBondContact O-CG 3.46Å; E199-K204 WeakPolarHBondContact O-CE 3.45Å; E199-K204 PolarHBondContact O-NZ 2.83Å; E199-K204 IonicContact OE2-NZ 2.73Å; E199-K204 PolarHBondContact OE2-NZ 3.23Å; I200-K204 PolarHBondContact O-N 3.08Å; I200-K204 VanDerWaalsContact O-N 3.1Å; E201-K204 PolarHBondContact O-N 3.03Å; E201-K204 VanDerWaalsContact O-N 3.12Å; K204-S206 VanDerWaalsContact C-N 3.33Å; K204-S206 PolarHBondContact O-N 2.97Å; K204-H207 WeakPolarHBondContact O-CB 3.39Å; K204-H207 PolarHBondContact O-N 2.87Å; K204-R210 WeakPolarHBondContact O-CD 3.28Å
205L97.1Very high97.7Very high95 Ų9550.9 Ų50.950%0.49726%0.264SS..Hα-helixtrans-63.9-36.7-179.5-68.4175000112.7E201 H207 Q211E201-L205 HydrophobicContact CG-CD1 3.89Å; E201-L205 HydrophobicContact CG-CG 4.07Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.27Å; E201-L205 WeakPolarHBondContact OE1-CD2 3.48Å; E201-L205 WeakPolarHBondContact OE1-CG 3.38Å; L205-H207 VanDerWaalsContact C-N 3.29Å; L205-H207 PolarHBondContact O-N 3.43Å; L205-Q211 PolarHBondContact O-NE2 3.15Å
206S98.3Very high97.5Very high2 Ų249.5 Ų49.51%0.01427%0.271CS..THydrogen-bonded Turntrans-83.4-4.1-17961.60000114.2W23 R26 I27 A202 F203 K204 Q211W23-S206 PolarHBondContact NE1-O 3.49Å; W23-S206 VanDerWaalsContact NE1-O 3.12Å; W23-S206 PolarHBondContact NE1-OG 2.9Å; R26-S206 PolarHBondContact NE-O 3.04Å; R26-S206 PolarHBondContact NH2-O 2.83Å; I27-S206 WeakPolarHBondContact CG1-OG 3.35Å; A202-S206 VanDerWaalsContact O-CB 3.28Å; A202-S206 WeakPolarHBondContact O-CB 3.15Å; A202-S206 PolarHBondContact O-N 2.77Å; A202-S206 PolarHBondContact O-OG 3.46Å; F203-S206 WeakPolarHBondContact CA-OG 3.32Å; F203-S206 PolarHBondContact O-OG 3.45Å; K204-S206 VanDerWaalsContact C-N 3.33Å; K204-S206 PolarHBondContact O-N 2.97Å; S206-Q211 VanDerWaalsContact C-NE2 3.3Å; S206-Q211 PolarHBondContact O-NE2 3.26Å
207H98.6Very high97.2Very high59 Ų5954 Ų5427%0.27330%0.298SS..SBendtrans-58.3141.9-173.1-170.9-96.1000112.1W23 F203 K204 L205 S209 R210 Q211W23-H207 AromaticContact CH2-CD2 3.56Å; W23-H207 HydrophobicContact CZ2-CB 4.38Å; W23-H207 AromaticContact CZ2-CD2 3.62Å; F203-H207 PolarHBondContact O-N 2.97Å; K204-H207 WeakPolarHBondContact O-CB 3.39Å; K204-H207 PolarHBondContact O-N 2.87Å; L205-H207 VanDerWaalsContact C-N 3.29Å; L205-H207 PolarHBondContact O-N 3.43Å; H207-S209 WeakPolarHBondContact ND1-CB 3.3Å; H207-S209 PolarHBondContact ND1-N 3.15Å; H207-S209 VanDerWaalsContact ND1-N 3.12Å; H207-S209 PolarHBondContact ND1-OG 2.84Å; H207-S209 PolarHBondContact O-N 3.38Å; H207-R210 PolarHBondContact O-N 3.26Å; H207-Q211 WeakPolarHBondContact O-CG 3.34Å; H207-Q211 PolarHBondContact O-NE2 3.33Å
208P98.2Very high96.8Very high2 Ų257.9 Ų57.91%0.01332%0.319CS..G310 helixtrans-55.1-23.1179.3-30.637.5000115.5F17 W23 Y175 R210 T214F17-P208 HydrophobicContact CD2-CB 4.24Å; F17-P208 WeakPolarHBondContact CD2-O 3.47Å; F17-P208 WeakPolarHBondContact O-CB 3.44Å; W23-P208 HydrophobicContact CD2-CG 3.91Å; W23-P208 HydrophobicContact CE3-CG 3.47Å; W23-P208 VanDerWaalsContact CE3-CG 3.47Å; W23-P208 VanDerWaalsContact CH2-CD 3.49Å; W23-P208 HydrophobicContact CH2-CG 4.15Å; W23-P208 VanDerWaalsContact CZ3-CD 3.45Å; W23-P208 HydrophobicContact CZ3-CG 3.58Å; Y175-P208 HydrophobicContact CE1-CG 4.25Å; P208-R210 VanDerWaalsContact C-N 3.3Å; P208-T214 WeakPolarHBondContact O-CG2 3.17Å; P208-T214 PolarHBondContact O-OG1 3.4Å
209S97.6Very high96.3Very high17 Ų1761.2 Ų61.212%0.11933%0.327CS..G310 helixtrans-80.4-7.6177.367.40000114.3H207 L218 Q219 A220H207-S209 WeakPolarHBondContact ND1-CB 3.3Å; H207-S209 PolarHBondContact ND1-N 3.15Å; H207-S209 VanDerWaalsContact ND1-N 3.12Å; H207-S209 PolarHBondContact ND1-OG 2.84Å; H207-S209 PolarHBondContact O-N 3.38Å; S209-L218 WeakPolarHBondContact CB-O 3.29Å; S209-Q219 WeakPolarHBondContact O-CA 3.48Å; S209-A220 WeakPolarHBondContact OG-CB 3.36Å
210R96.8Very high95.3Very high135 Ų13560.8 Ų60.851%0.50935%0.347SS..G310 helixtrans-118.126.3-175-63.9-170173-177.1-2.4113K204 H207 P208K204-R210 WeakPolarHBondContact O-CD 3.28Å; H207-R210 PolarHBondContact O-N 3.26Å; P208-R210 VanDerWaalsContact C-N 3.3Å
211Q97.6Very high95.2Very high11 Ų1162.1 Ų62.15%0.05136%0.355CS..SBendtrans-101.7151.7-177.3-54.3-52.7-56.900110.8F17 L205 S206 H207 D213 T214F17-Q211 HydrophobicContact CB-CB 3.73Å; F17-Q211 HydrophobicContact CB-CG 4.04Å; L205-Q211 PolarHBondContact O-NE2 3.15Å; S206-Q211 VanDerWaalsContact C-NE2 3.3Å; S206-Q211 PolarHBondContact O-NE2 3.26Å; H207-Q211 WeakPolarHBondContact O-CG 3.34Å; H207-Q211 PolarHBondContact O-NE2 3.33Å; Q211-D213 PolarHBondContact O-N 3.36Å; Q211-D213 VanDerWaalsContact O-N 3.1Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.33Å; Q211-T214 WeakPolarHBondContact CB-OG1 3.18Å; Q211-T214 PolarHBondContact N-OG1 2.89Å; Q211-T214 VanDerWaalsContact O-CB 3.31Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.3Å; Q211-T214 PolarHBondContact O-OG1 2.89Å
212P95Very high95Very high106 Ų10659.9 Ų59.969%0.68835%0.348SS*.THydrogen-bonded Turntrans-56.7-29.5179.5-25.734.8000113.6
213D96.2Very high94.8Very high34 Ų3462.6 Ų62.618%0.18236%0.362CS..THydrogen-bonded Turntrans-98.79.6179.465.9-51.8000114.4F17 Q38 A40 Q211 P215F17-D213 WeakPolarHBondContact CD1-O 3.45Å; F17-D213 PolarHBondContact N-OD2 3.22Å; Q38-D213 PolarHBondContact NE2-OD1 2.89Å; A40-D213 HydrophobicContact CB-CB 3.51Å; Q211-D213 PolarHBondContact O-N 3.36Å; Q211-D213 VanDerWaalsContact O-N 3.1Å; D213-P215 WeakPolarHBondContact O-CD 3.25Å
214T96.7Very high94.6Very high7 Ų766 Ų664%0.04338%0.382CS..SBendtrans-67.5122.9171.9-53.80000109.7F17 P208 Q211 A216 L218 Q219F17-T214 HydrophobicContact CD2-CG2 4.25Å; F17-T214 HydrophobicContact CE2-CG2 4.5Å; P208-T214 WeakPolarHBondContact O-CG2 3.17Å; P208-T214 PolarHBondContact O-OG1 3.4Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.33Å; Q211-T214 WeakPolarHBondContact CB-OG1 3.18Å; Q211-T214 PolarHBondContact N-OG1 2.89Å; Q211-T214 VanDerWaalsContact O-CB 3.31Å; Q211-T214 WeakPolarHBondContact O-CB 3.35Å; Q211-T214 PolarHBondContact O-N 3.3Å; Q211-T214 PolarHBondContact O-OG1 2.89Å; T214-A216 PolarHBondContact O-N 3.05Å; T214-L218 HydrophobicContact CG2-CB 4Å; T214-Q219 HydrophobicContact CG2-CG 3.68Å; T214-Q219 PolarHBondContact O-NE2 2.95Å
215P95.1Very high94.4Very high57 Ų5766.1 Ų66.137%0.3739%0.388SS..  trans-56.8139.7172.7-24.234.1000111.3F17 D213 V217 L218 Q219F17-P215 HydrophobicContact CE1-CG 4.08Å; F17-P215 HydrophobicContact CZ-CG 3.89Å; D213-P215 WeakPolarHBondContact O-CD 3.25Å; P215-V217 HydrophobicContact CB-CG2 4.44Å; P215-V217 PolarHBondContact O-N 3.21Å; P215-L218 HydrophobicContact CG-CD1 4.37Å; P215-L218 WeakPolarHBondContact O-CA 3.41Å; P215-L218 PolarHBondContact O-N 2.96Å; P215-Q219 PolarHBondContact O-N 3.28Å
216A93.7Very high94.2Very high78 Ų7864.2 Ų64.265%0.64538%0.381SS*.G310 helixtrans-50.8-36.8-175.100000114T214 L218 Q219T214-A216 PolarHBondContact O-N 3.05Å; A216-L218 PolarHBondContact O-N 2.87Å; A216-Q219 PolarHBondContact O-N 3.45Å
217V93.1Very high93.9Very high136 Ų13668.6 Ų68.682%0.82441%0.407SS*.G310 helixtrans-69.7-11178.8-57.60000114.6P215P215-V217 HydrophobicContact CB-CG2 4.44Å; P215-V217 PolarHBondContact O-N 3.21Å
218L90.4Very high93.5Very high83 Ų8369.4 Ų69.444%0.43542%0.418SS..G310 helixtrans-1154.3178.8-58.2-179.1000112.4F17 S209 T214 P215 A216F17-L218 HydrophobicContact CE2-CD1 3.99Å; F17-L218 HydrophobicContact CZ-CD1 4.1Å; S209-L218 WeakPolarHBondContact CB-O 3.29Å; T214-L218 HydrophobicContact CG2-CB 4Å; P215-L218 HydrophobicContact CG-CD1 4.37Å; P215-L218 WeakPolarHBondContact O-CA 3.41Å; P215-L218 PolarHBondContact O-N 2.96Å; A216-L218 PolarHBondContact O-N 2.87Å
219Q88.1Confident93.1Very high111 Ų11175 Ų7552%0.51945%0.452SS..  trans-76144174.6-69.8177.9-9.500109.8S209 T214 P215 A216S209-Q219 WeakPolarHBondContact O-CA 3.48Å; T214-Q219 HydrophobicContact CG2-CG 3.68Å; T214-Q219 PolarHBondContact O-NE2 2.95Å; P215-Q219 PolarHBondContact O-N 3.28Å; A216-Q219 PolarHBondContact O-N 3.45Å
220A77.2Confident92.7Very high125 Ų12580.3 Ų80.3100%1.03348%0.482SS*.  trans-103.60179.400000111.1S209S209-A220 WeakPolarHBondContact OG-CB 3.36Å

Retrieved 220 of 220 residues in 400.1 ms (Link to these results)

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