A0A060W741_ONCMY Loading...

D-aminoacyl-tRNA deacylase 2

AlphaFold DB , UniProt , Accession A0A060W741, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low70.6Confident239 Ų239106.1 Ų106.1100%1.17760%0.603SS**  097.60-71.6-177.6-103.800106.5E3M1-E3 PolarHBondContact O-N 3.48Å; M1-E3 VanDerWaalsContact O-N 3.15Å
2T41Very low73Confident143 Ų14397.3 Ų97.388%0.87755%0.553SS**  trans-73.6101.817644.30000107.1K4T2-K4 PolarHBondContact O-N 3.15Å
3E44.4Very low74.9Confident179 Ų17991.5 Ų91.584%0.83652%0.52SS*.  trans-49.4130.2164.7-70.7-176152.500107.4M1 A5M1-E3 PolarHBondContact O-N 3.48Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-A5 PolarHBondContact O-N 3.43Å
4K43Very low76.6Confident213 Ų21384.9 Ų84.993%0.92648%0.483SS*.  trans-61.393.2163.3-95.5-178.5172.7177.10105.1T2 G6T2-K4 PolarHBondContact O-N 3.15Å; K4-G6 PolarHBondContact O-N 2.82Å; K4-G6 VanDerWaalsContact O-N 3.11Å
5A59.7Low78.1Confident93 Ų9381.5 Ų81.577%0.76946%0.462SS*.PPolyproline II helixtrans-53.5123.4175.600000107E3E3-A5 PolarHBondContact O-N 3.43Å
6G73.5Confident79.4Confident65 Ų6577.8 Ų77.867%0.6744%0.439SS*.PPolyproline II helixtrans-54.1163.4172.200000110.3K4K4-G6 PolarHBondContact O-N 2.82Å; K4-G6 VanDerWaalsContact O-N 3.11Å
7S87.1Confident80.5Confident97 Ų9773.5 Ų73.568%0.67842%0.415SS*.PPolyproline II helixtrans-58.5138.7169.5-65.80000109
8P95.1Very high81.4Confident36 Ų3674 Ų7423%0.23442%0.416CS..PPolyproline II helixtrans-60.9145.2-178.226.6-35.2000110.4F49 E167 F168P8-F49 HydrophobicContact CB-CD2 4.11Å; P8-F49 HydrophobicContact CB-CE2 4.08Å; P8-F49 HydrophobicContact CG-CD2 4.04Å; P8-F49 HydrophobicContact CG-CE2 3.82Å; P8-F49 VanDerWaalsContact O-CB 3.32Å; P8-F49 WeakPolarHBondContact O-CB 3.42Å; P8-F49 WeakPolarHBondContact O-CD2 3.45Å; P8-F49 WeakPolarHBondContact O-CG 3.45Å; P8-E167 HydrophobicContact CB-CB 4.04Å; P8-F168 CarbonylContact C-O 3.56Å
9L97.8Very high82.3Confident54 Ų5473 Ų7328%0.28341%0.406SS..SBendtrans-92.3-26.1175.6-62.4-177.7000111.6F49 A52 I56 F168L9-F49 PolarHBondContact O-N 2.96Å; L9-A52 HydrophobicContact CB-CB 4.2Å; L9-A52 WeakPolarHBondContact O-CB 3.48Å; L9-I56 HydrophobicContact CB-CG1 4.22Å; L9-I56 HydrophobicContact CD1-CD1 4.35Å; L9-F168 PolarHBondContact N-O 3.38Å
10A98.4Very high83.2Confident0 Ų069.4 Ų69.40%039%0.385CS..EExtended strand (participates in β ladder)trans-146.2160.8169.100000111.7C47 F48 I60 E167 F168A10-C47 CarbonylContact C-O 3.21Å; A10-C47 VanDerWaalsContact CA-O 3.24Å; A10-C47 WeakPolarHBondContact CA-O 3.43Å; A10-C47 WeakPolarHBondContact CB-O 3.4Å; A10-F48 HydrophobicContact CB-CD1 3.87Å; A10-F48 HydrophobicContact CB-CE1 4.24Å; A10-I60 HydrophobicContact CB-CD1 3.59Å; A10-E167 WeakPolarHBondContact O-CA 3.5Å; A10-F168 HydrophobicContact CB-CB 4.24Å; A10-F168 PolarHBondContact N-O 3.27Å; A10-F168 PolarHBondContact O-N 2.97Å
11R98.6Very high83.9Confident48 Ų4870 Ų7018%0.18138%0.382CS..EExtended strand (participates in β ladder)trans-133.3136.6170.4-177.1178.5-68.6166.4-2.5109.3C47 F49 L95 L165 M166 E167R11-C47 PolarHBondContact N-O 2.95Å; R11-C47 PolarHBondContact O-N 3.3Å; R11-F49 HydrophobicContact CB-CE2 3.74Å; R11-F49 HydrophobicContact CB-CZ 3.98Å; R11-L95 PolarHBondContact NH1-O 3.36Å; R11-L165 HydrophobicContact CG-CD1 4.41Å; R11-L165 HydrophobicContact CG-CD2 4.41Å; R11-L165 HydrophobicContact CG-CG 4.26Å; R11-M166 WeakPolarHBondContact CA-O 3.04Å; R11-E167 HydrophobicContact CG-CG 4.43Å; R11-E167 IonicContact CZ-OE1 3.15Å; R11-E167 IonicContact NE-OE1 2.9Å; R11-E167 PolarHBondContact NE-OE1 2.75Å; R11-E167 IonicContact NH2-OE1 2.63Å; R11-E167 PolarHBondContact NH2-OE1 2.77Å
12T98.8Very high86.8Confident0 Ų058.7 Ų58.70%033%0.326CS..EExtended strand (participates in β ladder)trans-124.1150.7175.665.90000111.1Y45 I46 I60 L64 L165 M166 F168T12-Y45 CarbonylContact C-O 3.48Å; T12-Y45 WeakPolarHBondContact CA-O 3.42Å; T12-I46 HydrophobicContact CG2-CB 4.39Å; T12-I46 HydrophobicContact CG2-CD1 4.21Å; T12-I46 HydrophobicContact CG2-CG1 4.05Å; T12-I60 HydrophobicContact CG2-CG2 4.21Å; T12-L64 HydrophobicContact CG2-CD1 4.15Å; T12-L165 WeakPolarHBondContact O-CA 3.32Å; T12-M166 PolarHBondContact N-O 2.89Å; T12-M166 PolarHBondContact O-N 2.99Å; T12-F168 HydrophobicContact CG2-CD2 4.42Å; T12-F168 HydrophobicContact CG2-CE2 3.97Å
13V98.9Very high89.5Confident22 Ų2253.1 Ų53.113%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-120.2130.5162.1174.20000107.3Q15 Y45 L95 T163 H164 L165V13-Q15 HydrophobicContact CG1-CG 4.43Å; V13-Y45 HydrophobicContact CB-CD2 4.12Å; V13-Y45 HydrophobicContact CG1-CD2 4.15Å; V13-Y45 PolarHBondContact N-O 2.82Å; V13-Y45 WeakPolarHBondContact O-CD2 3.49Å; V13-Y45 PolarHBondContact O-N 2.77Å; V13-L95 HydrophobicContact CB-CD1 4.46Å; V13-L95 HydrophobicContact CB-CD2 4.49Å; V13-L95 HydrophobicContact CG2-CD1 4.07Å; V13-L95 HydrophobicContact CG2-CD2 3.6Å; V13-L95 HydrophobicContact CG2-CG 4.5Å; V13-T163 HydrophobicContact CG1-CG2 3.56Å; V13-H164 CarbonylContact C-O 3.51Å; V13-H164 VanDerWaalsContact CA-O 3.28Å; V13-H164 WeakPolarHBondContact CA-O 3.28Å; V13-L165 HydrophobicContact CG2-CB 4.5Å; V13-L165 HydrophobicContact CG2-CD1 4.32Å; V13-L165 HydrophobicContact CG2-CG 4.47Å
14L98.6Very high92.1Very high0 Ų045.7 Ų45.70%026%0.257CS..EExtended strand (participates in β ladder)trans-109.8136.9178.2-60.6177.8000109.2M42 V43 V44 L64 L67 L69 T163 H164 M166L14-M42 HydrophobicContact CB-SD 4.49Å; L14-M42 HydrophobicContact CD1-SD 4.25Å; L14-M42 HydrophobicContact CD2-CG 4.37Å; L14-M42 HydrophobicContact CD2-SD 3.87Å; L14-M42 HydrophobicContact CG-SD 4.45Å; L14-V43 WeakPolarHBondContact CA-O 3.34Å; L14-V44 HydrophobicContact CD2-CB 4.14Å; L14-V44 HydrophobicContact CD2-CG1 3.95Å; L14-V44 HydrophobicContact CD2-CG2 3.68Å; L14-L64 HydrophobicContact CD1-CD2 3.91Å; L14-L64 HydrophobicContact CD2-CD1 4.24Å; L14-L64 HydrophobicContact CD2-CD2 4.08Å; L14-L64 HydrophobicContact CG-CD2 4.3Å; L14-L67 HydrophobicContact CD1-CD2 4.22Å; L14-L69 HydrophobicContact CB-CD1 4.22Å; L14-L69 HydrophobicContact CD1-CD1 3.58Å; L14-T163 VanDerWaalsContact O-CA 3.27Å; L14-T163 WeakPolarHBondContact O-CA 3.49Å; L14-H164 HydrophobicContact CB-CB 4.48Å; L14-H164 PolarHBondContact N-O 2.96Å; L14-H164 PolarHBondContact O-N 3.24Å; L14-M166 HydrophobicContact CD1-SD 4.06Å
15Q98.7Very high94.7Very high34 Ų3438.9 Ų38.916%0.15923%0.227CC..EExtended strand (participates in β ladder)trans-136.5144170.9-63.2-171.7-60.800110.4V13 M42 V43 Y45 P161 T163V13-Q15 HydrophobicContact CG1-CG 4.43Å; Q15-M42 CarbonylContact O-C 3.6Å; Q15-M42 WeakPolarHBondContact O-CA 3.45Å; Q15-V43 PolarHBondContact N-O 3.26Å; Q15-V43 PolarHBondContact O-N 2.84Å; Q15-Y45 HydrophobicContact CG-CE2 4.18Å; Q15-Y45 VanDerWaalsContact OE1-CE2 3.28Å; Q15-Y45 PolarHBondContact OE1-OH 2.77Å; Q15-Y45 VanDerWaalsContact OE1-OH 3.11Å; Q15-P161 CarbonylContact C-O 3.45Å; Q15-P161 VanDerWaalsContact CA-O 3.25Å; Q15-P161 WeakPolarHBondContact CA-O 3.47Å; Q15-P161 HydrophobicContact CB-CB 4.22Å; Q15-P161 HydrophobicContact CG-CB 4.26Å; Q15-T163 HydrophobicContact CG-CG2 4Å; Q15-T163 PolarHBondContact NE2-OG1 2.96Å
16Q98.4Very high96.5Very high22 Ų2237.5 Ų37.510%0.10321%0.211CC..EExtended strand (participates in β ladder)trans-85.1145170.4-56.3-56.9-53.300109.8C70 T158 P161Q16-C70 PolarHBondContact OE1-SG 2.98Å; Q16-T158 VanDerWaalsContact O-CG2 3.31Å; Q16-T158 WeakPolarHBondContact O-CG2 3.46Å; Q16-P161 PolarHBondContact N-O 3.18Å
17C98.2Very high97.6Very high5 Ų537.1 Ų37.13%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-137.6151.4175.9660000112.4R40 G41 V43 L156 D157 T158C17-R40 WeakPolarHBondContact O-CA 3.25Å; C17-G41 PolarHBondContact N-O 3Å; C17-G41 PolarHBondContact O-N 3Å; C17-V43 HydrophobicContact CB-CG2 4.27Å; C17-L156 HydrophobicContact CB-CD1 3.54Å; C17-L156 HydrophobicContact CB-CG 4.32Å; C17-D157 CarbonylContact C-O 3.55Å; C17-D157 WeakPolarHBondContact CA-O 3.42Å; C17-D157 WeakPolarHBondContact CB-O 3.38Å; C17-T158 HydrophobicContact CB-CG2 4.48Å
18L97.6Very high98Very high82 Ų8236.6 Ų36.643%0.42919%0.19SC..SBendtrans-83.2-34.1164-60.5-178.3000110.6D39 R40 D157 N159L18-D39 CarbonylContact O-C 3.48Å; L18-R40 WeakPolarHBondContact O-CA 3.39Å; L18-R40 PolarHBondContact O-N 3.42Å; L18-D157 PolarHBondContact N-O 3.22Å; L18-N159 HydrophobicContact CD1-CB 4.13Å; L18-N159 HydrophobicContact CD2-CB 4.26Å; L18-N159 HydrophobicContact CG-CB 4.31Å
19Y98.6Very high98Very high55 Ų5543.2 Ų43.222%0.21622%0.224CC..EExtended strand (participates in β ladder)trans-157.6144.5177.3169.1-91.6000109.7R21 E37 I38 D157Y19-R21 HydrophobicContact CE1-CB 3.84Å; Y19-E37 HydrophobicContact CE2-CB 3.99Å; Y19-E37 HydrophobicContact CE2-CG 4.44Å; Y19-E37 WeakPolarHBondContact CE2-OE2 3.31Å; Y19-E37 PolarHBondContact OH-OE1 3.18Å; Y19-E37 PolarHBondContact OH-OE2 3.4Å; Y19-I38 CarbonylContact C-O 3.55Å; Y19-I38 WeakPolarHBondContact CA-O 3.27Å; Y19-I38 WeakPolarHBondContact CD2-O 3.47Å; Y19-D157 PolarHBondContact N-O 2.68Å; Y19-D157 PolarHBondContact O-N 3.34Å
20A98.8Very high97.8Very high0 Ų049.6 Ų49.60%025%0.252CS..EExtended strand (participates in β ladder)trans-139.4142.617200000111.1E37 I38 V43 L88 K155 L156A20-E37 CarbonylContact O-C 3.57Å; A20-E37 WeakPolarHBondContact O-CA 3.25Å; A20-I38 HydrophobicContact CB-CD1 4.35Å; A20-I38 HydrophobicContact CB-CG1 3.78Å; A20-I38 PolarHBondContact N-O 2.76Å; A20-I38 PolarHBondContact O-N 2.94Å; A20-V43 HydrophobicContact CB-CG2 4.13Å; A20-L88 HydrophobicContact CB-CD2 3.62Å; A20-K155 WeakPolarHBondContact CA-O 3.23Å; A20-L156 HydrophobicContact CB-CD1 3.56Å
21R98.8Very high97.7Very high84 Ų8451.4 Ų51.432%0.31727%0.265SS..EExtended strand (participates in β ladder)trans-130.6126.3175.6171179.4-178.8144.3-7.1110.5Y19 W35 V36 E37 L154 K155Y19-R21 HydrophobicContact CE1-CB 3.84Å; R21-W35 HydrophobicContact CG-CB 4.29Å; R21-W35 HydrophobicContact CG-CD2 4.25Å; R21-W35 HydrophobicContact CG-CE3 3.61Å; R21-W35 HydrophobicContact CG-CZ3 4.32Å; R21-W35 VanDerWaalsContact NE-CD2 3.32Å; R21-V36 WeakPolarHBondContact CA-O 3.47Å; R21-E37 HydrophobicContact CB-CG 4Å; R21-E37 WeakPolarHBondContact CD-OE1 3.26Å; R21-E37 HydrophobicContact CG-CG 3.92Å; R21-E37 IonicContact CZ-OE1 3.4Å; R21-E37 IonicContact NE-OE1 3.49Å; R21-E37 PolarHBondContact NE-OE1 3.11Å; R21-E37 IonicContact NH1-OE1 2.83Å; R21-E37 PolarHBondContact NH1-OE1 3.26Å; R21-L154 WeakPolarHBondContact O-CA 3.5Å; R21-L154 WeakPolarHBondContact O-CD1 3.48Å; R21-K155 HydrophobicContact CB-CB 4.41Å; R21-K155 PolarHBondContact N-O 3.1Å; R21-K155 PolarHBondContact O-N 2.8Å
22L98.9Very high97.7Very high0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-127.3132.5-175.6-178.665.1000111.3W35 V36 L88 V90 Q152 L154L22-W35 VanDerWaalsContact C-CE3 3.44Å; L22-W35 CarbonylContact O-C 3.59Å; L22-W35 WeakPolarHBondContact O-CA 3.13Å; L22-V36 HydrophobicContact CB-CG2 4.13Å; L22-V36 PolarHBondContact N-O 2.68Å; L22-V36 PolarHBondContact O-N 3.2Å; L22-L88 HydrophobicContact CB-CD1 4.18Å; L22-L88 HydrophobicContact CB-CD2 4.14Å; L22-L88 HydrophobicContact CD2-CD1 3.82Å; L22-L88 HydrophobicContact CD2-CD2 4.47Å; L22-L88 HydrophobicContact CD2-CG 4.38Å; L22-V90 HydrophobicContact CD2-CG2 4.06Å; L22-Q152 HydrophobicContact CD1-CB 4.08Å; L22-L154 HydrophobicContact CB-CD1 4.22Å; L22-L154 HydrophobicContact CD1-CB 4.13Å; L22-L154 HydrophobicContact CD1-CD1 4.22Å
23Q98.7Very high97.6Very high27 Ų2757.8 Ų57.813%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-71.5128.7172.3-174.2176.480.700110K25 A33 E34 W35 V153Q23-K25 VanDerWaalsContact CG-O 3.3Å; Q23-K25 WeakPolarHBondContact CG-O 3.44Å; Q23-A33 HydrophobicContact CG-CB 4.28Å; Q23-E34 WeakPolarHBondContact CA-O 3.34Å; Q23-W35 VanDerWaalsContact CA-CE3 3.44Å; Q23-W35 HydrophobicContact CB-CD2 4.14Å; Q23-W35 HydrophobicContact CB-CE3 3.71Å; Q23-W35 HydrophobicContact CB-CH2 3.8Å; Q23-W35 HydrophobicContact CB-CZ2 4.2Å; Q23-W35 HydrophobicContact CB-CZ3 3.54Å; Q23-W35 HydrophobicContact CG-CH2 4.39Å; Q23-W35 HydrophobicContact CG-CZ2 4.35Å; Q23-V153 HydrophobicContact CB-CB 3.85Å; Q23-V153 HydrophobicContact CB-CG2 4.42Å; Q23-V153 PolarHBondContact N-O 3.4Å
24V98.4Very high97.6Very high23 Ų2361.4 Ų61.414%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-107.5-27.2176.7-67.10000112.3E34 V36 H145 T147 N150V24-E34 HydrophobicContact CG2-CB 3.98Å; V24-E34 WeakPolarHBondContact CG2-O 3.35Å; V24-E34 PolarHBondContact N-O 3.1Å; V24-V36 HydrophobicContact CG1-CB 4.26Å; V24-V36 HydrophobicContact CG1-CG1 3.72Å; V24-V36 HydrophobicContact CG1-CG2 3.65Å; V24-V36 HydrophobicContact CG2-CG1 4.14Å; V24-H145 WeakPolarHBondContact CG1-O 3.5Å; V24-T147 VanDerWaalsContact O-CB 3.23Å; V24-T147 WeakPolarHBondContact O-CB 3.39Å; V24-T147 PolarHBondContact O-OG1 3.08Å; V24-N150 PolarHBondContact O-ND2 2.93Å; V24-N150 VanDerWaalsContact O-ND2 3.08Å
25K98.1Very high97.6Very high70 Ų7065.4 Ų65.430%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-132.5128.3172.5-166.4-165.8176-161.10109.3Q23 S31 A33 E34Q23-K25 VanDerWaalsContact CG-O 3.3Å; Q23-K25 WeakPolarHBondContact CG-O 3.44Å; K25-S31 PolarHBondContact NZ-OG 3.46Å; K25-A33 CarbonylContact O-C 3.59Å; K25-A33 VanDerWaalsContact O-CA 3.32Å; K25-A33 WeakPolarHBondContact O-CA 3.31Å; K25-A33 WeakPolarHBondContact O-CB 3.4Å; K25-E34 HydrophobicContact CB-CB 3.79Å; K25-E34 HydrophobicContact CB-CG 4.05Å; K25-E34 VanDerWaalsContact CD-CD 3.48Å; K25-E34 HydrophobicContact CD-CG 4.04Å; K25-E34 WeakPolarHBondContact CD-OE1 3.35Å; K25-E34 PolarHBondContact N-O 2.84Å; K25-E34 IonicContact NZ-OE1 3.24Å; K25-E34 PolarHBondContact NZ-OE1 3.42Å; K25-E34 PolarHBondContact O-N 3.08Å
26P96.8Very high97.6Very high64 Ų6465.2 Ų65.242%0.41633%0.331SS..  trans-65.7155.7171.730.3-34.4000110.3
27A96.6Very high97.6Very high56 Ų5667.8 Ų67.846%0.46334%0.343SS..  trans-65.3148.8169.300000110.3S31 A33A27-S31 VanDerWaalsContact CA-O 3.28Å; A27-S31 WeakPolarHBondContact CA-O 3.34Å; A27-A33 HydrophobicContact CB-CB 4.18Å
28D95.4Very high97.6Very high86 Ų8667.6 Ų67.646%0.4634%0.342SS..BIsolated β-bridgetrans-132-178.2170.459.933.3000110Q30 S31D28-Q30 PolarHBondContact O-N 3.46Å; D28-Q30 WeakPolarHBondContact OD1-CA 3.35Å; D28-Q30 PolarHBondContact OD1-N 3.25Å; D28-S31 VanDerWaalsContact CG-OG 3.24Å; D28-S31 PolarHBondContact N-O 2.96Å; D28-S31 PolarHBondContact O-N 3.34Å; D28-S31 PolarHBondContact OD1-N 3.18Å; D28-S31 PolarHBondContact OD1-OG 2.99Å; D28-S31 PolarHBondContact OD2-OG 2.71Å
29D95.1Very high97.6Very high175 Ų17568.8 Ų68.894%0.93635%0.349SS*.THydrogen-bonded Turntrans-60.5-13.7-177.5-63.5-24.6000113.5
30Q94.4Very high97.4Very high189 Ų18970.6 Ų70.688%0.88336%0.355SS*.THydrogen-bonded Turntrans-119.5-13.3-173.4-59.4-174.57.800113.7D28D28-Q30 PolarHBondContact O-N 3.46Å; D28-Q30 WeakPolarHBondContact OD1-CA 3.35Å; D28-Q30 PolarHBondContact OD1-N 3.25Å
31S95.8Very high97.3Very high37 Ų3770.6 Ų70.626%0.25936%0.355SS..BIsolated β-bridgetrans-147.6141.1-174.360.50000113.2K25 A27 D28K25-S31 PolarHBondContact NZ-OG 3.46Å; A27-S31 VanDerWaalsContact CA-O 3.28Å; A27-S31 WeakPolarHBondContact CA-O 3.34Å; D28-S31 VanDerWaalsContact CG-OG 3.24Å; D28-S31 PolarHBondContact N-O 2.96Å; D28-S31 PolarHBondContact O-N 3.34Å; D28-S31 PolarHBondContact OD1-N 3.18Å; D28-S31 PolarHBondContact OD1-OG 2.99Å; D28-S31 PolarHBondContact OD2-OG 2.71Å
32E97.4Very high97.3Very high164 Ų16466.7 Ų66.777%0.76634%0.341SS*.PPolyproline II helixtrans-65158.4168.3-71.4-66.5164.100111E34E32-E34 PolarHBondContact O-N 3.47Å
33A97.7Very high97.3Very high18 Ų1866.7 Ų66.715%0.14934%0.341CS..PPolyproline II helixtrans-61.9138.6175.100000111.4Q23 K25 A27 W35Q23-A33 HydrophobicContact CG-CB 4.28Å; K25-A33 CarbonylContact O-C 3.59Å; K25-A33 VanDerWaalsContact O-CA 3.32Å; K25-A33 WeakPolarHBondContact O-CA 3.31Å; K25-A33 WeakPolarHBondContact O-CB 3.4Å; A27-A33 HydrophobicContact CB-CB 4.18Å; A33-W35 HydrophobicContact CB-CZ2 4.17Å; A33-W35 PolarHBondContact O-NE1 3.48Å; A33-W35 VanDerWaalsContact O-NE1 3.1Å
34E98.5Very high97.3Very high99 Ų9965.5 Ų65.546%0.46334%0.335SS..EExtended strand (participates in β ladder)trans-96.9144.3176.8-59.3173.5-154.200110.6Q23 V24 K25 E32Q23-E34 WeakPolarHBondContact CA-O 3.34Å; V24-E34 HydrophobicContact CG2-CB 3.98Å; V24-E34 WeakPolarHBondContact CG2-O 3.35Å; V24-E34 PolarHBondContact N-O 3.1Å; K25-E34 HydrophobicContact CB-CB 3.79Å; K25-E34 HydrophobicContact CB-CG 4.05Å; K25-E34 VanDerWaalsContact CD-CD 3.48Å; K25-E34 HydrophobicContact CD-CG 4.04Å; K25-E34 WeakPolarHBondContact CD-OE1 3.35Å; K25-E34 PolarHBondContact N-O 2.84Å; K25-E34 IonicContact NZ-OE1 3.24Å; K25-E34 PolarHBondContact NZ-OE1 3.42Å; K25-E34 PolarHBondContact O-N 3.08Å; E32-E34 PolarHBondContact O-N 3.47Å
35W98.7Very high97.3Very high84 Ų8465.8 Ų65.832%0.31833%0.334SS..EExtended strand (participates in β ladder)trans-134149.3-171.4-56.382.8000111.3R21 L22 Q23 A33 V153R21-W35 HydrophobicContact CG-CB 4.29Å; R21-W35 HydrophobicContact CG-CD2 4.25Å; R21-W35 HydrophobicContact CG-CE3 3.61Å; R21-W35 HydrophobicContact CG-CZ3 4.32Å; R21-W35 VanDerWaalsContact NE-CD2 3.32Å; L22-W35 VanDerWaalsContact C-CE3 3.44Å; L22-W35 CarbonylContact O-C 3.59Å; L22-W35 WeakPolarHBondContact O-CA 3.13Å; Q23-W35 VanDerWaalsContact CA-CE3 3.44Å; Q23-W35 HydrophobicContact CB-CD2 4.14Å; Q23-W35 HydrophobicContact CB-CE3 3.71Å; Q23-W35 HydrophobicContact CB-CH2 3.8Å; Q23-W35 HydrophobicContact CB-CZ2 4.2Å; Q23-W35 HydrophobicContact CB-CZ3 3.54Å; Q23-W35 HydrophobicContact CG-CH2 4.39Å; Q23-W35 HydrophobicContact CG-CZ2 4.35Å; A33-W35 HydrophobicContact CB-CZ2 4.17Å; A33-W35 PolarHBondContact O-NE1 3.48Å; A33-W35 VanDerWaalsContact O-NE1 3.1Å; W35-V153 HydrophobicContact CH2-CB 4.11Å; W35-V153 HydrophobicContact CH2-CG1 3.69Å; W35-V153 HydrophobicContact CZ3-CB 4.24Å; W35-V153 HydrophobicContact CZ3-CG1 4.05Å; W35-V153 WeakPolarHBondContact CZ3-O 3.3Å
36V98.7Very high97.4Very high29 Ų2962.6 Ų62.618%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-117.9150.7164.9-62.20000109.3R21 L22 V24 L88 K144R21-V36 WeakPolarHBondContact CA-O 3.47Å; L22-V36 HydrophobicContact CB-CG2 4.13Å; L22-V36 PolarHBondContact N-O 2.68Å; L22-V36 PolarHBondContact O-N 3.2Å; V24-V36 HydrophobicContact CG1-CB 4.26Å; V24-V36 HydrophobicContact CG1-CG1 3.72Å; V24-V36 HydrophobicContact CG1-CG2 3.65Å; V24-V36 HydrophobicContact CG2-CG1 4.14Å; V36-L88 HydrophobicContact CG2-CD1 4.27Å; V36-K144 HydrophobicContact CB-CB 4.17Å; V36-K144 HydrophobicContact CB-CD 4.12Å; V36-K144 HydrophobicContact CB-CG 4.23Å; V36-K144 HydrophobicContact CG1-CD 4.28Å; V36-K144 HydrophobicContact CG2-CB 3.97Å
37E98.5Very high97.5Very high76 Ų7659.7 Ų59.736%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-135.2147.6-175.9-52-171.9168.200109.2Y19 A20 R21Y19-E37 HydrophobicContact CE2-CB 3.99Å; Y19-E37 HydrophobicContact CE2-CG 4.44Å; Y19-E37 WeakPolarHBondContact CE2-OE2 3.31Å; Y19-E37 PolarHBondContact OH-OE1 3.18Å; Y19-E37 PolarHBondContact OH-OE2 3.4Å; A20-E37 CarbonylContact O-C 3.57Å; A20-E37 WeakPolarHBondContact O-CA 3.25Å; R21-E37 HydrophobicContact CB-CG 4Å; R21-E37 WeakPolarHBondContact CD-OE1 3.26Å; R21-E37 HydrophobicContact CG-CG 3.92Å; R21-E37 IonicContact CZ-OE1 3.4Å; R21-E37 IonicContact NE-OE1 3.49Å; R21-E37 PolarHBondContact NE-OE1 3.11Å; R21-E37 IonicContact NH1-OE1 2.83Å; R21-E37 PolarHBondContact NH1-OE1 3.26Å
38I98.2Very high97.5Very high2 Ų257.5 Ų57.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-129.9144.7167.762.6156.8000109Y19 A20 N86 L88 I142 K144Y19-I38 CarbonylContact C-O 3.55Å; Y19-I38 WeakPolarHBondContact CA-O 3.27Å; Y19-I38 WeakPolarHBondContact CD2-O 3.47Å; A20-I38 HydrophobicContact CB-CD1 4.35Å; A20-I38 HydrophobicContact CB-CG1 3.78Å; A20-I38 PolarHBondContact N-O 2.76Å; A20-I38 PolarHBondContact O-N 2.94Å; I38-N86 HydrophobicContact CB-CB 3.75Å; I38-N86 HydrophobicContact CD1-CB 4.17Å; I38-N86 HydrophobicContact CG2-CB 4.04Å; I38-L88 HydrophobicContact CD1-CB 3.47Å; I38-L88 VanDerWaalsContact CD1-CB 3.47Å; I38-L88 HydrophobicContact CG1-CB 3.9Å; I38-L88 HydrophobicContact CG2-CB 4.38Å; I38-I142 HydrophobicContact CG2-CD1 4.32Å; I38-I142 HydrophobicContact CG2-CG1 4.39Å; I38-K144 HydrophobicContact CG2-CB 3.83Å; I38-K144 HydrophobicContact CG2-CG 3.66Å
39D96.7Very high97.7Very high107 Ų10753.9 Ų53.957%0.57226%0.262SS*.SBendtrans-80.3-154.5165-63.6-53.1000110.4L18 G41 N86L18-D39 CarbonylContact O-C 3.48Å; D39-G41 PolarHBondContact O-N 3.26Å; D39-N86 PolarHBondContact N-ND2 2.83Å
40R95.9Very high97.8Very high92 Ų9252 Ų5235%0.34725%0.245SC..SBendtrans-47.3127.8-175.6-173.3-172.9-176.5178.99.2111.6C17 L18 E71 D73 L83 N86C17-R40 WeakPolarHBondContact O-CA 3.25Å; L18-R40 WeakPolarHBondContact O-CA 3.39Å; L18-R40 PolarHBondContact O-N 3.42Å; R40-E71 PolarHBondContact NH2-O 2.89Å; R40-D73 IonicContact CZ-OD1 3.41Å; R40-D73 IonicContact NH1-OD1 2.84Å; R40-D73 PolarHBondContact NH1-OD1 3.33Å; R40-D73 IonicContact NH2-OD1 3Å; R40-D73 PolarHBondContact NH2-OD1 3.25Å; R40-L83 HydrophobicContact CG-CD2 4.32Å; R40-N86 PolarHBondContact O-N 2.92Å
41G96.6Very high97.9Very high0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans173.7-159.5-172.700000114.8C17 D39 N86C17-G41 PolarHBondContact N-O 3Å; C17-G41 PolarHBondContact O-N 3Å; D39-G41 PolarHBondContact O-N 3.26Å; G41-N86 CarbonylContact C-O 3.57Å; G41-N86 WeakPolarHBondContact CA-O 3.41Å
42M98.1Very high97.9Very high2 Ų244.5 Ų44.51%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-121.8130.4-177.3-178.1172.662.800110.7L14 Q15 V44 L65 V80 N86 V87 L88L14-M42 HydrophobicContact CB-SD 4.49Å; L14-M42 HydrophobicContact CD1-SD 4.25Å; L14-M42 HydrophobicContact CD2-CG 4.37Å; L14-M42 HydrophobicContact CD2-SD 3.87Å; L14-M42 HydrophobicContact CG-SD 4.45Å; Q15-M42 CarbonylContact O-C 3.6Å; Q15-M42 WeakPolarHBondContact O-CA 3.45Å; M42-V44 HydrophobicContact CE-CG2 3.95Å; M42-V44 HydrophobicContact CG-CG2 4.24Å; M42-L65 HydrophobicContact CE-CD2 4.37Å; M42-V80 HydrophobicContact CB-CG2 4.2Å; M42-V80 HydrophobicContact CE-CB 4.22Å; M42-V80 HydrophobicContact CE-CG1 3.97Å; M42-N86 PolarHBondContact N-O 3.05Å; M42-V87 WeakPolarHBondContact O-CA 3.09Å; M42-L88 PolarHBondContact O-N 2.69Å
43V98.8Very high97.8Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-95.7126.8168.8-172.70000109.3L14 Q15 C17 A20 Y45 L88 V90 L156L14-V43 WeakPolarHBondContact CA-O 3.34Å; Q15-V43 PolarHBondContact N-O 3.26Å; Q15-V43 PolarHBondContact O-N 2.84Å; C17-V43 HydrophobicContact CB-CG2 4.27Å; A20-V43 HydrophobicContact CB-CG2 4.13Å; V43-Y45 HydrophobicContact CB-CE2 4.32Å; V43-Y45 HydrophobicContact CG1-CD2 4.29Å; V43-Y45 HydrophobicContact CG1-CE1 4.34Å; V43-Y45 HydrophobicContact CG1-CE2 3.7Å; V43-L88 CarbonylContact C-O 3.52Å; V43-L88 WeakPolarHBondContact CA-O 3.07Å; V43-L88 HydrophobicContact CG1-CB 4.5Å; V43-L88 HydrophobicContact CG1-CD2 4.35Å; V43-L88 HydrophobicContact CG1-CG 4.47Å; V43-L88 HydrophobicContact CG2-CB 4.27Å; V43-L88 HydrophobicContact CG2-CD2 4.31Å; V43-V90 HydrophobicContact CG1-CG2 3.93Å; V43-L156 HydrophobicContact CG2-CD1 3.59Å
44V98.9Very high97.6Very high2 Ų244.9 Ų44.91%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-113.4111179.5-175.70000109.2L14 M42 L64 V87 L88 I89 V90 F122L14-V44 HydrophobicContact CD2-CB 4.14Å; L14-V44 HydrophobicContact CD2-CG1 3.95Å; L14-V44 HydrophobicContact CD2-CG2 3.68Å; M42-V44 HydrophobicContact CE-CG2 3.95Å; M42-V44 HydrophobicContact CG-CG2 4.24Å; V44-L64 HydrophobicContact CG1-CD1 3.62Å; V44-L64 HydrophobicContact CG2-CD1 4.49Å; V44-V87 HydrophobicContact CG2-CG1 4.04Å; V44-L88 PolarHBondContact N-O 3.45Å; V44-I89 CarbonylContact O-C 3.53Å; V44-I89 WeakPolarHBondContact O-CA 3.49Å; V44-V90 PolarHBondContact O-N 2.83Å; V44-F122 HydrophobicContact CG1-CE1 4.38Å; V44-F122 HydrophobicContact CG1-CZ 4.15Å
45Y98.9Very high97.3Very high29 Ų2948.2 Ų48.211%0.11424%0.243CC..EExtended strand (participates in β ladder)trans-91.8128.9168-54.2-93.3000108.8T12 V13 Q15 V43 V90 Q92 L154T12-Y45 CarbonylContact C-O 3.48Å; T12-Y45 WeakPolarHBondContact CA-O 3.42Å; V13-Y45 HydrophobicContact CB-CD2 4.12Å; V13-Y45 HydrophobicContact CG1-CD2 4.15Å; V13-Y45 PolarHBondContact N-O 2.82Å; V13-Y45 WeakPolarHBondContact O-CD2 3.49Å; V13-Y45 PolarHBondContact O-N 2.77Å; Q15-Y45 HydrophobicContact CG-CE2 4.18Å; Q15-Y45 VanDerWaalsContact OE1-CE2 3.28Å; Q15-Y45 PolarHBondContact OE1-OH 2.77Å; Q15-Y45 VanDerWaalsContact OE1-OH 3.11Å; V43-Y45 HydrophobicContact CB-CE2 4.32Å; V43-Y45 HydrophobicContact CG1-CD2 4.29Å; V43-Y45 HydrophobicContact CG1-CE1 4.34Å; V43-Y45 HydrophobicContact CG1-CE2 3.7Å; Y45-V90 WeakPolarHBondContact CA-O 3.16Å; Y45-V90 HydrophobicContact CD1-CB 3.69Å; Y45-V90 HydrophobicContact CD1-CG1 3.79Å; Y45-V90 HydrophobicContact CD1-CG2 4.24Å; Y45-V90 HydrophobicContact CE1-CB 4.08Å; Y45-V90 HydrophobicContact CE1-CG1 4.07Å; Y45-V90 HydrophobicContact CE1-CG2 4.16Å; Y45-V90 HydrophobicContact CG-CB 4.42Å; Y45-Q92 HydrophobicContact CD1-CB 4.23Å; Y45-Q92 HydrophobicContact CD1-CG 4.22Å; Y45-L154 HydrophobicContact CE1-CD2 3.88Å; Y45-L154 WeakPolarHBondContact OH-CD2 3.28Å
46I98.9Very high97.2Very high4 Ų444.9 Ų44.92%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-128.8139.4-175.1-170.8160.3000112.9T12 F48 I60 I89 V90 Q92 Y119 F122T12-I46 HydrophobicContact CG2-CB 4.39Å; T12-I46 HydrophobicContact CG2-CD1 4.21Å; T12-I46 HydrophobicContact CG2-CG1 4.05Å; I46-F48 HydrophobicContact CD1-CE1 3.87Å; I46-F48 HydrophobicContact CD1-CE2 3.97Å; I46-F48 HydrophobicContact CD1-CZ 3.4Å; I46-F48 VanDerWaalsContact CD1-CZ 3.4Å; I46-F48 HydrophobicContact CG1-CE1 4.34Å; I46-F48 HydrophobicContact CG1-CE2 4.06Å; I46-F48 HydrophobicContact CG1-CZ 3.93Å; I46-I60 HydrophobicContact CD1-CG2 4.3Å; I46-I89 HydrophobicContact CG2-CG2 4.34Å; I46-V90 PolarHBondContact N-O 2.92Å; I46-Q92 CarbonylContact O-C 3.6Å; I46-Q92 PolarHBondContact O-N 3.49Å; I46-Y119 HydrophobicContact CG2-CD2 4.02Å; I46-Y119 HydrophobicContact CG2-CE2 4.18Å; I46-F122 HydrophobicContact CD1-CD1 3.84Å; I46-F122 HydrophobicContact CD1-CD2 3.93Å; I46-F122 HydrophobicContact CD1-CE1 3.82Å; I46-F122 HydrophobicContact CD1-CE2 3.94Å; I46-F122 HydrophobicContact CD1-CG 3.9Å; I46-F122 HydrophobicContact CD1-CZ 3.88Å; I46-F122 HydrophobicContact CG2-CD1 4.37Å; I46-F122 HydrophobicContact CG2-CE1 4.34Å
47C98.7Very high97.1Very high3 Ų343.8 Ų43.82%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-133.3132.1172.4178.50000109.7A10 R11 Q92 A93 L95A10-C47 CarbonylContact C-O 3.21Å; A10-C47 VanDerWaalsContact CA-O 3.24Å; A10-C47 WeakPolarHBondContact CA-O 3.43Å; A10-C47 WeakPolarHBondContact CB-O 3.4Å; R11-C47 PolarHBondContact N-O 2.95Å; R11-C47 PolarHBondContact O-N 3.3Å; C47-Q92 WeakPolarHBondContact CB-O 3.32Å; C47-A93 PolarHBondContact SG-O 2.92Å; C47-L95 HydrophobicContact CB-CB 3.75Å; C47-L95 HydrophobicContact CB-CD1 4.34Å
48F98.6Very high97Very high9 Ų943.8 Ų43.84%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-102.5147.8173.3-62.8-74.4000111A10 I46 A52 I60 I110 L118 F122A10-F48 HydrophobicContact CB-CD1 3.87Å; A10-F48 HydrophobicContact CB-CE1 4.24Å; I46-F48 HydrophobicContact CD1-CE1 3.87Å; I46-F48 HydrophobicContact CD1-CE2 3.97Å; I46-F48 HydrophobicContact CD1-CZ 3.4Å; I46-F48 VanDerWaalsContact CD1-CZ 3.4Å; I46-F48 HydrophobicContact CG1-CE1 4.34Å; I46-F48 HydrophobicContact CG1-CE2 4.06Å; I46-F48 HydrophobicContact CG1-CZ 3.93Å; F48-A52 HydrophobicContact CB-CB 4.4Å; F48-A52 HydrophobicContact CD1-CB 4.37Å; F48-I60 HydrophobicContact CE1-CD1 3.92Å; F48-I110 HydrophobicContact CB-CB 4.28Å; F48-I110 HydrophobicContact CB-CD1 4.49Å; F48-I110 HydrophobicContact CB-CG2 3.71Å; F48-I110 PolarHBondContact O-N 2.86Å; F48-I110 VanDerWaalsContact O-N 3.14Å; F48-L118 HydrophobicContact CB-CD1 4.21Å; F48-L118 HydrophobicContact CD1-CB 4.41Å; F48-L118 HydrophobicContact CD1-CD1 4.07Å; F48-L118 HydrophobicContact CD2-CB 3.97Å; F48-L118 HydrophobicContact CE1-CB 4.33Å; F48-L118 HydrophobicContact CE2-CB 3.89Å; F48-L118 HydrophobicContact CG-CB 4.23Å; F48-L118 HydrophobicContact CG-CD1 4.04Å; F48-L118 HydrophobicContact CZ-CB 4.07Å; F48-F122 HydrophobicContact CZ-CB 4.14Å; F48-F122 HydrophobicContact CZ-CG 4.46Å
49F98.4Very high96.9Very high10 Ų1048.7 Ų48.74%0.04425%0.245CC..BIsolated β-bridgetrans-111.4165.5178.9-61.9-61.2000111.6P8 L9 R11 G51 A52 G96 H108P8-F49 HydrophobicContact CB-CD2 4.11Å; P8-F49 HydrophobicContact CB-CE2 4.08Å; P8-F49 HydrophobicContact CG-CD2 4.04Å; P8-F49 HydrophobicContact CG-CE2 3.82Å; P8-F49 VanDerWaalsContact O-CB 3.32Å; P8-F49 WeakPolarHBondContact O-CB 3.42Å; P8-F49 WeakPolarHBondContact O-CD2 3.45Å; P8-F49 WeakPolarHBondContact O-CG 3.45Å; L9-F49 PolarHBondContact O-N 2.96Å; R11-F49 HydrophobicContact CB-CE2 3.74Å; R11-F49 HydrophobicContact CB-CZ 3.98Å; F49-G51 PolarHBondContact O-N 2.88Å; F49-A52 VanDerWaalsContact O-CB 3.24Å; F49-A52 WeakPolarHBondContact O-CB 3.3Å; F49-A52 PolarHBondContact O-N 2.57Å; F49-A52 VanDerWaalsContact O-N 3.11Å; F49-G96 VanDerWaalsContact CE1-CA 3.4Å; F49-H108 CarbonylContact C-O 3.6Å; F49-H108 VanDerWaalsContact CA-O 3.26Å; F49-H108 WeakPolarHBondContact CA-O 3.49Å; F49-H108 WeakPolarHBondContact CB-O 3.36Å; F49-H108 HydrophobicContact CD1-CB 4.15Å; F49-H108 WeakPolarHBondContact CD1-O 3.49Å
50K97.6Very high97Very high136 Ų13643.6 Ų43.659%0.59122%0.218SC*.THydrogen-bonded Turntrans-55.3134.4175.3-70.1177174.6172.70110.7A52 H107 H108 N109K50-A52 VanDerWaalsContact C-N 3.33Å; K50-H107 VanDerWaalsContact CE-O 3.26Å; K50-H107 WeakPolarHBondContact CE-O 3.44Å; K50-H107 PolarHBondContact NZ-O 2.69Å; K50-H108 PolarHBondContact N-O 2.85Å; K50-N109 WeakPolarHBondContact CE-O 3.31Å; K50-N109 WeakPolarHBondContact CG-O 3.22Å
51G96Very high97.1Very high58 Ų5839.2 Ų39.260%0.59820%0.201SC*.THydrogen-bonded Turntrans87.4-3.3-177.800000114.3F49F49-G51 PolarHBondContact O-N 2.88Å
52A97.1Very high97.1Very high11 Ų1142.5 Ų42.59%0.09122%0.219CC..  trans-65.3136.2169.500000110.5L9 F48 F49 K50 I56 I110 L118L9-A52 HydrophobicContact CB-CB 4.2Å; L9-A52 WeakPolarHBondContact O-CB 3.48Å; F48-A52 HydrophobicContact CB-CB 4.4Å; F48-A52 HydrophobicContact CD1-CB 4.37Å; F49-A52 VanDerWaalsContact O-CB 3.24Å; F49-A52 WeakPolarHBondContact O-CB 3.3Å; F49-A52 PolarHBondContact O-N 2.57Å; F49-A52 VanDerWaalsContact O-N 3.11Å; K50-A52 VanDerWaalsContact C-N 3.33Å; A52-I56 HydrophobicContact CB-CG2 4.2Å; A52-I110 HydrophobicContact CB-CD1 4.41Å; A52-L118 HydrophobicContact CB-CD1 3.69Å
53T94.9Very high97.1Very high66 Ų6644.7 Ų44.741%0.40523%0.232SC..  trans-127.1175.4178.562.80000109.7E55 I56T53-E55 PolarHBondContact O-N 2.82Å; T53-E55 VanDerWaalsContact O-N 3.11Å; T53-I56 WeakPolarHBondContact O-CG2 3.35Å; T53-I56 PolarHBondContact O-N 2.76Å
54E92.3Very high97Very high123 Ų12344.8 Ų44.858%0.57523%0.233SC*.Hα-helixtrans-58.7-24.8177-61.4-174.2163.500113.1I56 I57 L118 N121E54-I56 VanDerWaalsContact C-N 3.26Å; E54-I56 PolarHBondContact O-N 2.82Å; E54-I57 WeakPolarHBondContact O-CB 3.49Å; E54-I57 PolarHBondContact O-N 2.96Å; E54-I57 VanDerWaalsContact O-N 3.09Å; E54-L118 HydrophobicContact CG-CD2 4.25Å; E54-N121 PolarHBondContact OE1-ND2 3.31Å
55E93Very high96.9Very high170 Ų17044.8 Ų44.879%0.79423%0.233SC*.Hα-helixtrans-59.5-35.2178.5-60.7178.6178.100112.7T53 I57T53-E55 PolarHBondContact O-N 2.82Å; T53-E55 VanDerWaalsContact O-N 3.11Å; E55-I57 VanDerWaalsContact C-N 3.28Å; E55-I57 PolarHBondContact O-N 2.6Å
56I96Very high96.8Very high14 Ų1447.9 Ų47.97%0.07225%0.251CS..Hα-helixtrans-73-25.1-179.7-158.766000111.9L9 A52 T53 E54 Q58 K59 I60 F168L9-I56 HydrophobicContact CB-CG1 4.22Å; L9-I56 HydrophobicContact CD1-CD1 4.35Å; A52-I56 HydrophobicContact CB-CG2 4.2Å; T53-I56 WeakPolarHBondContact O-CG2 3.35Å; T53-I56 PolarHBondContact O-N 2.76Å; E54-I56 VanDerWaalsContact C-N 3.26Å; E54-I56 PolarHBondContact O-N 2.82Å; I56-Q58 PolarHBondContact O-N 2.92Å; I56-K59 HydrophobicContact CD1-CB 4.42Å; I56-K59 HydrophobicContact CD1-CD 3.75Å; I56-K59 PolarHBondContact O-N 3.01Å; I56-I60 HydrophobicContact CB-CD1 4.48Å; I56-I60 HydrophobicContact CG1-CD1 3.98Å; I56-I60 HydrophobicContact CG1-CG1 4.19Å; I56-I60 HydrophobicContact CG2-CD1 4Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 3.33Å; I56-F168 HydrophobicContact CD1-CB 4.03Å; I56-F168 HydrophobicContact CG1-CB 3.96Å
57I97.8Very high96.7Very high5 Ų550.4 Ų50.43%0.02626%0.264CS..Hα-helixtrans-61.9-46.9-175-59-177.6000110.4E54 E55 K59 I60 V61 L118 N121 F122 L125E54-I57 WeakPolarHBondContact O-CB 3.49Å; E54-I57 PolarHBondContact O-N 2.96Å; E54-I57 VanDerWaalsContact O-N 3.09Å; E55-I57 VanDerWaalsContact C-N 3.28Å; E55-I57 PolarHBondContact O-N 2.6Å; I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 PolarHBondContact O-N 3.02Å; I57-I60 PolarHBondContact O-N 2.87Å; I57-I60 VanDerWaalsContact O-N 3.16Å; I57-V61 HydrophobicContact CG2-CG2 4.22Å; I57-V61 WeakPolarHBondContact O-CG2 3.5Å; I57-V61 PolarHBondContact O-N 2.63Å; I57-L118 HydrophobicContact CD1-CB 4.29Å; I57-L118 HydrophobicContact CD1-CD2 3.84Å; I57-L118 WeakPolarHBondContact CD1-O 3.45Å; I57-L118 HydrophobicContact CG1-CD2 4.42Å; I57-N121 HydrophobicContact CD1-CB 3.45Å; I57-N121 VanDerWaalsContact CD1-CB 3.45Å; I57-F122 HydrophobicContact CG2-CB 3.98Å; I57-F122 HydrophobicContact CG2-CD2 4.15Å; I57-L125 HydrophobicContact CG2-CB 4.45Å; I57-L125 HydrophobicContact CG2-CD2 3.91Å
58Q95.8Very high96.6Very high77 Ų7756.9 Ų56.936%0.3629%0.292SS..Hα-helixtrans-60.3-42.1179.6-17170.562.500111.6I56 N62 L125I56-Q58 PolarHBondContact O-N 2.92Å; Q58-N62 PolarHBondContact NE2-ND2 3.07Å; Q58-N62 PolarHBondContact NE2-OD1 3.07Å; Q58-N62 VanDerWaalsContact O-CB 3.31Å; Q58-N62 WeakPolarHBondContact O-CB 3.45Å; Q58-N62 PolarHBondContact O-N 3Å; Q58-L125 HydrophobicContact CB-CD2 4.34Å
59K96.7Very high96.5Very high105 Ų10557 Ų5746%0.45729%0.293SS..Hα-helixtrans-61.9-45176.7-176.3-170.5174.9-167.80111I56 I57 T63 F168I56-K59 HydrophobicContact CD1-CB 4.42Å; I56-K59 HydrophobicContact CD1-CD 3.75Å; I56-K59 PolarHBondContact O-N 3.01Å; I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 PolarHBondContact O-N 3.02Å; K59-T63 VanDerWaalsContact O-CB 3.29Å; K59-T63 WeakPolarHBondContact O-CB 3.11Å; K59-T63 PolarHBondContact O-N 3.34Å; K59-T63 PolarHBondContact O-OG1 2.97Å; K59-F168 HydrophobicContact CD-CD1 4.25Å; K59-F168 HydrophobicContact CG-CD1 4.26Å; K59-F168 PolarHBondContact NZ-OXT 3.05Å
60I98.3Very high96.4Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-61.5-57.6178.4-62161.3000109.3A10 T12 I46 F48 I56 I57 N62 T63 L64 F122 F168A10-I60 HydrophobicContact CB-CD1 3.59Å; T12-I60 HydrophobicContact CG2-CG2 4.21Å; I46-I60 HydrophobicContact CD1-CG2 4.3Å; F48-I60 HydrophobicContact CE1-CD1 3.92Å; I56-I60 HydrophobicContact CB-CD1 4.48Å; I56-I60 HydrophobicContact CG1-CD1 3.98Å; I56-I60 HydrophobicContact CG1-CG1 4.19Å; I56-I60 HydrophobicContact CG2-CD1 4Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 3.33Å; I57-I60 PolarHBondContact O-N 2.87Å; I57-I60 VanDerWaalsContact O-N 3.16Å; I60-N62 PolarHBondContact O-N 3.3Å; I60-T63 WeakPolarHBondContact O-CB 3.33Å; I60-T63 PolarHBondContact O-N 3.16Å; I60-L64 HydrophobicContact CG2-CD1 3.59Å; I60-L64 HydrophobicContact CG2-CG 3.89Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 2.87Å; I60-F122 HydrophobicContact CB-CE2 4.32Å; I60-F122 HydrophobicContact CG2-CD2 4.26Å; I60-F122 HydrophobicContact CG2-CE2 3.59Å; I60-F122 HydrophobicContact CG2-CZ 4.34Å; I60-F168 HydrophobicContact CB-CD1 4.41Å; I60-F168 HydrophobicContact CB-CE1 4.31Å; I60-F168 HydrophobicContact CB-CZ 4.39Å; I60-F168 HydrophobicContact CD1-CB 4.46Å; I60-F168 HydrophobicContact CD1-CG 4.39Å; I60-F168 HydrophobicContact CG1-CB 4Å; I60-F168 HydrophobicContact CG1-CD1 3.65Å; I60-F168 HydrophobicContact CG1-CD2 3.8Å; I60-F168 HydrophobicContact CG1-CE1 4.03Å; I60-F168 HydrophobicContact CG1-CE2 4.15Å; I60-F168 HydrophobicContact CG1-CG 3.53Å; I60-F168 HydrophobicContact CG1-CZ 4.26Å; I60-F168 HydrophobicContact CG2-CE2 4.14Å; I60-F168 HydrophobicContact CG2-CZ 4.18Å
61V98.1Very high96.2Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-55.7-49.8-176.51760000111.6I57 T63 L64 L65 F122 L125 E129I57-V61 HydrophobicContact CG2-CG2 4.22Å; I57-V61 WeakPolarHBondContact O-CG2 3.5Å; I57-V61 PolarHBondContact O-N 2.63Å; V61-T63 VanDerWaalsContact C-N 3.27Å; V61-T63 PolarHBondContact O-N 2.9Å; V61-L64 PolarHBondContact O-N 3.48Å; V61-L65 HydrophobicContact CG1-CD1 3.66Å; V61-L65 HydrophobicContact CG1-CG 4.15Å; V61-L65 WeakPolarHBondContact O-CB 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3Å; V61-F122 HydrophobicContact CG2-CD2 3.55Å; V61-F122 HydrophobicContact CG2-CE2 3.56Å; V61-L125 HydrophobicContact CB-CD2 4.06Å; V61-L125 HydrophobicContact CB-CG 4.25Å; V61-L125 HydrophobicContact CG1-CD2 4.5Å; V61-L125 HydrophobicContact CG1-CG 4.18Å; V61-L125 HydrophobicContact CG2-CB 4.13Å; V61-L125 HydrophobicContact CG2-CD2 3.84Å; V61-L125 HydrophobicContact CG2-CG 4Å; V61-E129 HydrophobicContact CG1-CB 4.18Å; V61-E129 HydrophobicContact CG1-CG 3.8Å
62N96Very high96.1Very high68 Ų6852.6 Ų52.636%0.36426%0.263SS..Hα-helixtrans-59.1-41.1179.2-71.5-2.4000111.7Q58 I60 N66Q58-N62 PolarHBondContact NE2-ND2 3.07Å; Q58-N62 PolarHBondContact NE2-OD1 3.07Å; Q58-N62 VanDerWaalsContact O-CB 3.31Å; Q58-N62 WeakPolarHBondContact O-CB 3.45Å; Q58-N62 PolarHBondContact O-N 3Å; I60-N62 PolarHBondContact O-N 3.3Å; N62-N66 WeakPolarHBondContact O-CB 3.34Å; N62-N66 PolarHBondContact O-N 3.47Å; N62-N66 PolarHBondContact O-ND2 3.06Å
63T97.9Very high95.8Very high48 Ų4859.1 Ų59.129%0.29430%0.296SS..Hα-helixtrans-66.6-52.9179-57.80000110.9K59 I60 V61 L67 M166 F168K59-T63 VanDerWaalsContact O-CB 3.29Å; K59-T63 WeakPolarHBondContact O-CB 3.11Å; K59-T63 PolarHBondContact O-N 3.34Å; K59-T63 PolarHBondContact O-OG1 2.97Å; I60-T63 WeakPolarHBondContact O-CB 3.33Å; I60-T63 PolarHBondContact O-N 3.16Å; V61-T63 VanDerWaalsContact C-N 3.27Å; V61-T63 PolarHBondContact O-N 2.9Å; T63-L67 WeakPolarHBondContact O-CB 3.42Å; T63-L67 PolarHBondContact O-N 3.24Å; T63-L67 VanDerWaalsContact O-N 3.1Å; T63-M166 HydrophobicContact CG2-CE 3.59Å; T63-M166 HydrophobicContact CG2-SD 4.34Å; T63-F168 HydrophobicContact CG2-CE1 3.96Å; T63-F168 HydrophobicContact CG2-CZ 4.01Å
64L98Very high95.7Very high2 Ų260.2 Ų60.21%0.0131%0.306CS..Hα-helixtrans-67-43.1-172.2-56.2-176000112T12 L14 V44 I60 V61 N66 F122 M166 F168T12-L64 HydrophobicContact CG2-CD1 4.15Å; L14-L64 HydrophobicContact CD1-CD2 3.91Å; L14-L64 HydrophobicContact CD2-CD1 4.24Å; L14-L64 HydrophobicContact CD2-CD2 4.08Å; L14-L64 HydrophobicContact CG-CD2 4.3Å; V44-L64 HydrophobicContact CG1-CD1 3.62Å; V44-L64 HydrophobicContact CG2-CD1 4.49Å; I60-L64 HydrophobicContact CG2-CD1 3.59Å; I60-L64 HydrophobicContact CG2-CG 3.89Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.37Å; I60-L64 PolarHBondContact O-N 2.87Å; V61-L64 PolarHBondContact O-N 3.48Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-N66 PolarHBondContact O-N 2.74Å; L64-F122 HydrophobicContact CD1-CE2 4.26Å; L64-F122 HydrophobicContact CD1-CZ 3.95Å; L64-M166 HydrophobicContact CD2-SD 3.84Å; L64-F168 HydrophobicContact CD2-CE2 4.17Å; L64-F168 HydrophobicContact CD2-CZ 3.84Å; L64-F168 HydrophobicContact CG-CZ 4.5Å
65L96.5Very high95.7Very high2 Ų256.3 Ų56.31%0.0130%0.299CS..Hα-helixtrans-73.4-26.4-175.7-62-174.2000113M42 V61 S79 V80 L81 V87 E129M42-L65 HydrophobicContact CE-CD2 4.37Å; V61-L65 HydrophobicContact CG1-CD1 3.66Å; V61-L65 HydrophobicContact CG1-CG 4.15Å; V61-L65 WeakPolarHBondContact O-CB 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3Å; L65-S79 WeakPolarHBondContact O-CB 3.49Å; L65-V80 HydrophobicContact CB-CG1 4.35Å; L65-V80 HydrophobicContact CD2-CG1 3.77Å; L65-L81 HydrophobicContact CB-CD1 4.04Å; L65-L81 HydrophobicContact CB-CD2 4.39Å; L65-L81 HydrophobicContact CB-CG 4.14Å; L65-V87 HydrophobicContact CD2-CG2 4.14Å; L65-E129 HydrophobicContact CD1-CB 3.74Å
66N96.2Very high95.8Very high94 Ų9455.3 Ų55.350%0.50329%0.292SS..Hα-helixtrans-96.4-7.5179.4-68.8-79.3000113.9N62 L64 K68N62-N66 WeakPolarHBondContact O-CB 3.34Å; N62-N66 PolarHBondContact O-N 3.47Å; N62-N66 PolarHBondContact O-ND2 3.06Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-N66 PolarHBondContact O-N 2.74Å; N66-K68 PolarHBondContact O-N 2.89Å
67L96.8Very high95.8Very high57 Ų5759.1 Ų59.130%0.29831%0.306SS..SBendtrans-70.5131.6-178.5-166.268000110.8L14 T63 L69 S79 M166L14-L67 HydrophobicContact CD1-CD2 4.22Å; T63-L67 WeakPolarHBondContact O-CB 3.42Å; T63-L67 PolarHBondContact O-N 3.24Å; T63-L67 VanDerWaalsContact O-N 3.1Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 HydrophobicContact CB-CG 4.42Å; L67-L69 HydrophobicContact CD2-CD1 3.54Å; L67-L69 HydrophobicContact CD2-CD2 4.01Å; L67-L69 HydrophobicContact CD2-CG 3.64Å; L67-L69 HydrophobicContact CG-CD1 4.26Å; L67-L69 HydrophobicContact CG-CD2 4.2Å; L67-L69 HydrophobicContact CG-CG 3.82Å; L67-L69 PolarHBondContact O-N 3.39Å; L67-S79 WeakPolarHBondContact O-CA 3.35Å; L67-M166 HydrophobicContact CD2-CE 4.01Å; L67-M166 HydrophobicContact CD2-SD 3.75Å
68K97.1Very high95.8Very high139 Ų13960.4 Ų60.460%0.60431%0.314SS*.SBendtrans-81.476.6-176.9-61.8-175.7-178.1-176.90111.9N66 Y77 V78N66-K68 PolarHBondContact O-N 2.89Å; K68-Y77 WeakPolarHBondContact O-CB 3.48Å; K68-V78 CarbonylContact C-O 3.59Å; K68-V78 VanDerWaalsContact CA-O 3.25Å; K68-V78 WeakPolarHBondContact CA-O 3.36Å
69L96.2Very high95.8Very high11 Ų1156.8 Ų56.86%0.05830%0.297CS..  trans-114.4-12.2178.4-61.8-174.1000113.8L14 L67 Y77 V78 Y162 H164L14-L69 HydrophobicContact CB-CD1 4.22Å; L14-L69 HydrophobicContact CD1-CD1 3.58Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 HydrophobicContact CB-CG 4.42Å; L67-L69 HydrophobicContact CD2-CD1 3.54Å; L67-L69 HydrophobicContact CD2-CD2 4.01Å; L67-L69 HydrophobicContact CD2-CG 3.64Å; L67-L69 HydrophobicContact CG-CD1 4.26Å; L67-L69 HydrophobicContact CG-CD2 4.2Å; L67-L69 HydrophobicContact CG-CG 3.82Å; L67-L69 PolarHBondContact O-N 3.39Å; L69-Y77 WeakPolarHBondContact O-CD1 3.16Å; L69-V78 PolarHBondContact N-O 3.26Å; L69-Y162 HydrophobicContact CD2-CD1 4.49Å; L69-Y162 HydrophobicContact CD2-CE1 4.04Å; L69-H164 HydrophobicContact CD1-CB 4.14Å
70C95.6Very high95.7Very high0 Ų051.9 Ų51.90%028%0.276CS..EExtended strand (participates in β ladder)trans-88114.8-175.8-640000109.4Q16 A72 Y77 V78 L83Q16-C70 PolarHBondContact OE1-SG 2.98Å; C70-A72 PolarHBondContact O-N 2.99Å; C70-Y77 CarbonylContact O-C 3.53Å; C70-Y77 WeakPolarHBondContact O-CA 3.4Å; C70-V78 HydrophobicContact CB-CG2 4.39Å; C70-V78 VanDerWaalsContact CB-O 3.31Å; C70-V78 WeakPolarHBondContact CB-O 3.45Å; C70-V78 PolarHBondContact N-O 3.03Å; C70-V78 WeakPolarHBondContact O-CG2 3.49Å; C70-V78 PolarHBondContact O-N 3Å; C70-L83 HydrophobicContact CB-CB 3.93Å; C70-L83 HydrophobicContact CB-CD2 3.55Å; C70-L83 HydrophobicContact CB-CG 4.25Å
71E94.6Very high95.5Very high94 Ų9452.9 Ų52.944%0.43928%0.281SS..EExtended strand (participates in β ladder)trans-73.3115.8176.8-171.5175.5-175.200109.5R40 Y77R40-E71 PolarHBondContact NH2-O 2.89Å; E71-Y77 HydrophobicContact CB-CD1 4.11Å; E71-Y77 HydrophobicContact CB-CE1 3.84Å; E71-Y77 HydrophobicContact CG-CE1 4.43Å
72A93Very high95.2Very high19 Ų1957.5 Ų57.516%0.15731%0.306CS..  trans-78.5166.4172.600000110.9C70 S74 G75 K76 V78 L83C70-A72 PolarHBondContact O-N 2.99Å; A72-S74 PolarHBondContact O-N 3.43Å; A72-G75 PolarHBondContact O-N 3.11Å; A72-K76 WeakPolarHBondContact CB-O 3.27Å; A72-K76 PolarHBondContact N-O 3.4Å; A72-V78 HydrophobicContact CB-CG1 4.35Å; A72-V78 HydrophobicContact CB-CG2 4.08Å; A72-L83 HydrophobicContact CB-CD1 4.34Å
73D90.6Very high95Very high148 Ų14855.4 Ų55.479%0.79129%0.294SS*.THydrogen-bonded Turntrans-63.1-15.7-177-54.9-11.4000113.4R40 G75R40-D73 IonicContact CZ-OD1 3.41Å; R40-D73 IonicContact NH1-OD1 2.84Å; R40-D73 PolarHBondContact NH1-OD1 3.33Å; R40-D73 IonicContact NH2-OD1 3Å; R40-D73 PolarHBondContact NH2-OD1 3.25Å; D73-G75 VanDerWaalsContact C-N 3.28Å
74S93.1Very high94.5Very high89 Ų8955.4 Ų55.462%0.62230%0.295SS*.THydrogen-bonded Turntrans-78.2-4.9171.365.40000114.7A72 K76A72-S74 PolarHBondContact O-N 3.43Å; S74-K76 PolarHBondContact O-N 2.92Å; S74-K76 PolarHBondContact OG-N 2.97Å
75G91.7Very high94.2Very high40 Ų4055.4 Ų55.441%0.41230%0.296SS..SBendtrans77.80.2-171.200000114.4A72 D73A72-G75 PolarHBondContact O-N 3.11Å; D73-G75 VanDerWaalsContact C-N 3.28Å
76K95.9Very high94.2Very high149 Ų14956.1 Ų56.165%0.64830%0.3SS*.  trans-83.3140.9174.1-67.5-177.5-179.7176.10110.7A72 S74A72-K76 WeakPolarHBondContact CB-O 3.27Å; A72-K76 PolarHBondContact N-O 3.4Å; S74-K76 PolarHBondContact O-N 2.92Å; S74-K76 PolarHBondContact OG-N 2.97Å
77Y96.6Very high94.3Very high95 Ų9551.7 Ų51.737%0.37328%0.276SS..EExtended strand (participates in β ladder)trans-79127.9169.4-66.4-74.9000111.4K68 L69 C70 E71 Y162K68-Y77 WeakPolarHBondContact O-CB 3.48Å; L69-Y77 WeakPolarHBondContact O-CD1 3.16Å; C70-Y77 CarbonylContact O-C 3.53Å; C70-Y77 WeakPolarHBondContact O-CA 3.4Å; E71-Y77 HydrophobicContact CB-CD1 4.11Å; E71-Y77 HydrophobicContact CB-CE1 3.84Å; E71-Y77 HydrophobicContact CG-CE1 4.43Å; Y77-Y162 HydrophobicContact CD1-CE1 4.22Å; Y77-Y162 HydrophobicContact CE1-CD1 4.02Å; Y77-Y162 AromaticContact CE1-CE1 3.73Å; Y77-Y162 HydrophobicContact CE1-CE1 3.73Å
78V96.6Very high94.4Very high32 Ų3249 Ų4919%0.19426%0.262CS..EExtended strand (participates in β ladder)trans-127.9171.3177.1-59.50000109.9K68 L69 C70 A72 D82 L83K68-V78 CarbonylContact C-O 3.59Å; K68-V78 VanDerWaalsContact CA-O 3.25Å; K68-V78 WeakPolarHBondContact CA-O 3.36Å; L69-V78 PolarHBondContact N-O 3.26Å; C70-V78 HydrophobicContact CB-CG2 4.39Å; C70-V78 VanDerWaalsContact CB-O 3.31Å; C70-V78 WeakPolarHBondContact CB-O 3.45Å; C70-V78 PolarHBondContact N-O 3.03Å; C70-V78 WeakPolarHBondContact O-CG2 3.49Å; C70-V78 PolarHBondContact O-N 3Å; A72-V78 HydrophobicContact CB-CG1 4.35Å; A72-V78 HydrophobicContact CB-CG2 4.08Å; V78-D82 HydrophobicContact CB-CB 3.83Å; V78-D82 HydrophobicContact CG2-CB 4.14Å; V78-L83 HydrophobicContact CG2-CB 3.94Å; V78-L83 HydrophobicContact CG2-CD1 4.42Å
79S96.3Very high94.5Very high1 Ų142.4 Ų42.41%0.00723%0.233CC..  trans-73.4166175.175.40000111.5L65 L67 L81 D82 L83L65-S79 WeakPolarHBondContact O-CB 3.49Å; L67-S79 WeakPolarHBondContact O-CA 3.35Å; S79-L81 PolarHBondContact O-N 2.84Å; S79-L81 PolarHBondContact OG-N 2.78Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 2.81Å; S79-D82 WeakPolarHBondContact OG-CB 3.39Å; S79-D82 PolarHBondContact OG-N 2.98Å; S79-D82 VanDerWaalsContact OG-N 3.08Å; S79-D82 PolarHBondContact OG-OD2 3.3Å; S79-L83 WeakPolarHBondContact O-CB 3.24Å; S79-L83 PolarHBondContact O-N 3.34Å
80V95.2Very high94.6Very high1 Ų141.9 Ų41.91%0.00623%0.231CC..THydrogen-bonded Turntrans-64.6-30.4175.672.50000111.4M42 L65 L83 G85 V87M42-V80 HydrophobicContact CB-CG2 4.2Å; M42-V80 HydrophobicContact CE-CB 4.22Å; M42-V80 HydrophobicContact CE-CG1 3.97Å; L65-V80 HydrophobicContact CB-CG1 4.35Å; L65-V80 HydrophobicContact CD2-CG1 3.77Å; V80-L83 PolarHBondContact O-N 2.63Å; V80-G85 WeakPolarHBondContact CG2-O 3.29Å; V80-G85 PolarHBondContact O-N 3.13Å; V80-V87 HydrophobicContact CG1-CG2 4.18Å; V80-V87 HydrophobicContact CG2-CG2 3.99Å
81L93.3Very high94.8Very high22 Ų2242.5 Ų42.512%0.11524%0.235CC..THydrogen-bonded Turntrans-70.1-36.1176.5-57176.3000112.3L65 S79 L130 N135L65-L81 HydrophobicContact CB-CD1 4.04Å; L65-L81 HydrophobicContact CB-CD2 4.39Å; L65-L81 HydrophobicContact CB-CG 4.14Å; S79-L81 PolarHBondContact O-N 2.84Å; S79-L81 PolarHBondContact OG-N 2.78Å; L81-L130 HydrophobicContact CD2-CD1 3.9Å; L81-L130 HydrophobicContact CD2-CG 4.47Å; L81-N135 PolarHBondContact O-ND2 3.47Å
82D92.3Very high95Very high96 Ų9640.9 Ų40.951%0.51323%0.227SC..THydrogen-bonded Turntrans-81.5-21.2177.4-63.3-42.7000112.5V78 S79 P84V78-D82 HydrophobicContact CB-CB 3.83Å; V78-D82 HydrophobicContact CG2-CB 4.14Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 2.81Å; S79-D82 WeakPolarHBondContact OG-CB 3.39Å; S79-D82 PolarHBondContact OG-N 2.98Å; S79-D82 VanDerWaalsContact OG-N 3.08Å; S79-D82 PolarHBondContact OG-OD2 3.3Å; D82-P84 WeakPolarHBondContact O-CD 3.4Å
83L90.8Very high95.2Very high24 Ų2442.2 Ų42.213%0.12624%0.238CC..THydrogen-bonded Turntrans-78.4-4.7173.1-174.560.8000113.4R40 C70 A72 V78 S79 V80R40-L83 HydrophobicContact CG-CD2 4.32Å; C70-L83 HydrophobicContact CB-CB 3.93Å; C70-L83 HydrophobicContact CB-CD2 3.55Å; C70-L83 HydrophobicContact CB-CG 4.25Å; A72-L83 HydrophobicContact CB-CD1 4.34Å; V78-L83 HydrophobicContact CG2-CB 3.94Å; V78-L83 HydrophobicContact CG2-CD1 4.42Å; S79-L83 WeakPolarHBondContact O-CB 3.24Å; S79-L83 PolarHBondContact O-N 3.34Å; V80-L83 PolarHBondContact O-N 2.63Å
84P87.9Confident95.6Very high48 Ų4838.6 Ų38.631%0.31222%0.221SC..THydrogen-bonded Turntrans2059.4-138.511.8-32.7000117.2D82 T139 M141D82-P84 WeakPolarHBondContact O-CD 3.4Å; P84-T139 HydrophobicContact CB-CG2 3.78Å; P84-T139 WeakPolarHBondContact CB-OG1 3.25Å; P84-T139 HydrophobicContact CG-CG2 3.83Å; P84-M141 WeakPolarHBondContact CA-SD 3.17Å; P84-M141 HydrophobicContact CB-CE 4.45Å; P84-M141 HydrophobicContact CB-CG 3.8Å; P84-M141 HydrophobicContact CB-SD 3.8Å
85G92.6Very high95.8Very high2 Ų236 Ų362%0.02120%0.201CC..  trans-85.6153.8179.100000113.9V80V80-G85 WeakPolarHBondContact CG2-O 3.29Å; V80-G85 PolarHBondContact O-N 3.13Å
86N96.2Very high96.1Very high18 Ų1834.2 Ų34.210%0.09618%0.182CC..EExtended strand (participates in β ladder)trans-76.1159.8171.7-65.7-36.9000111.8I38 D39 R40 G41 M42 I142I38-N86 HydrophobicContact CB-CB 3.75Å; I38-N86 HydrophobicContact CD1-CB 4.17Å; I38-N86 HydrophobicContact CG2-CB 4.04Å; D39-N86 PolarHBondContact N-ND2 2.83Å; R40-N86 PolarHBondContact O-N 2.92Å; G41-N86 CarbonylContact C-O 3.57Å; G41-N86 WeakPolarHBondContact CA-O 3.41Å; M42-N86 PolarHBondContact N-O 3.05Å; N86-I142 HydrophobicContact CB-CG1 4.19Å; N86-I142 WeakPolarHBondContact OD1-CG1 3.41Å; N86-I142 PolarHBondContact OD1-N 3.42Å
87V98.2Very high96.2Very high1 Ų127.8 Ų27.81%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-124.9126.5176.8-176.80000110.4M42 V44 L65 V80 I89 L130 I142 V143 K144M42-V87 WeakPolarHBondContact O-CA 3.09Å; V44-V87 HydrophobicContact CG2-CG1 4.04Å; L65-V87 HydrophobicContact CD2-CG2 4.14Å; V80-V87 HydrophobicContact CG1-CG2 4.18Å; V80-V87 HydrophobicContact CG2-CG2 3.99Å; V87-I89 HydrophobicContact CG1-CG1 4.02Å; V87-L130 HydrophobicContact CG2-CD1 3.94Å; V87-I142 PolarHBondContact N-O 3.35Å; V87-V143 HydrophobicContact CB-CG2 4.44Å; V87-V143 CarbonylContact O-C 3.54Å; V87-V143 WeakPolarHBondContact O-CA 3.45Å; V87-K144 PolarHBondContact O-N 3.21Å
88L98.9Very high96.2Very high0 Ų028.7 Ų28.70%016%0.164CC..EExtended strand (participates in β ladder)trans-111.1116.5170.9177.865.7000110A20 L22 V36 I38 M42 V43 V44 V90 K144 L154A20-L88 HydrophobicContact CB-CD2 3.62Å; L22-L88 HydrophobicContact CB-CD1 4.18Å; L22-L88 HydrophobicContact CB-CD2 4.14Å; L22-L88 HydrophobicContact CD2-CD1 3.82Å; L22-L88 HydrophobicContact CD2-CD2 4.47Å; L22-L88 HydrophobicContact CD2-CG 4.38Å; V36-L88 HydrophobicContact CG2-CD1 4.27Å; I38-L88 HydrophobicContact CD1-CB 3.47Å; I38-L88 VanDerWaalsContact CD1-CB 3.47Å; I38-L88 HydrophobicContact CG1-CB 3.9Å; I38-L88 HydrophobicContact CG2-CB 4.38Å; M42-L88 PolarHBondContact O-N 2.69Å; V43-L88 CarbonylContact C-O 3.52Å; V43-L88 WeakPolarHBondContact CA-O 3.07Å; V43-L88 HydrophobicContact CG1-CB 4.5Å; V43-L88 HydrophobicContact CG1-CD2 4.35Å; V43-L88 HydrophobicContact CG1-CG 4.47Å; V43-L88 HydrophobicContact CG2-CB 4.27Å; V43-L88 HydrophobicContact CG2-CD2 4.31Å; V44-L88 PolarHBondContact N-O 3.45Å; L88-V90 HydrophobicContact CD2-CG2 4.46Å; L88-V90 HydrophobicContact CG-CG2 4.24Å; L88-K144 CarbonylContact C-O 3.54Å; L88-K144 VanDerWaalsContact CA-O 3.31Å; L88-K144 WeakPolarHBondContact CA-O 3.49Å; L88-K144 HydrophobicContact CD1-CB 3.9Å; L88-L154 HydrophobicContact CD2-CD1 3.88Å
89I98.9Very high96.2Very high0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-97.2128.3179.5-59.9170.2000109.8V44 I46 V87 Y119 F122 V123 C126 V143 K144 H145 G146V44-I89 CarbonylContact O-C 3.53Å; V44-I89 WeakPolarHBondContact O-CA 3.49Å; I46-I89 HydrophobicContact CG2-CG2 4.34Å; V87-I89 HydrophobicContact CG1-CG1 4.02Å; I89-Y119 HydrophobicContact CG2-CE2 3.65Å; I89-Y119 PolarHBondContact O-OH 2.9Å; I89-F122 HydrophobicContact CD1-CD1 4.15Å; I89-F122 HydrophobicContact CD1-CE1 3.76Å; I89-F122 HydrophobicContact CG1-CE1 4.05Å; I89-F122 HydrophobicContact CG2-CD1 3.97Å; I89-F122 HydrophobicContact CG2-CE1 3.67Å; I89-V123 HydrophobicContact CB-CG2 4.44Å; I89-V123 HydrophobicContact CD1-CB 4.44Å; I89-V123 HydrophobicContact CD1-CG2 3.99Å; I89-V123 HydrophobicContact CG2-CG2 4.13Å; I89-C126 HydrophobicContact CD1-CB 3.83Å; I89-V143 HydrophobicContact CD1-CG1 3.75Å; I89-V143 HydrophobicContact CG1-CG1 4.32Å; I89-K144 PolarHBondContact N-O 2.9Å; I89-H145 HydrophobicContact CB-CB 4.05Å; I89-H145 CarbonylContact O-C 3.58Å; I89-H145 VanDerWaalsContact O-CA 3.24Å; I89-H145 WeakPolarHBondContact O-CA 3.41Å; I89-G146 PolarHBondContact O-N 3.46Å
90V98.9Very high96.2Very high1 Ų137.4 Ų37.41%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-121.8118.3-179.3-175.10000109.6L22 V43 V44 Y45 I46 L88 Q92 Q152L22-V90 HydrophobicContact CD2-CG2 4.06Å; V43-V90 HydrophobicContact CG1-CG2 3.93Å; V44-V90 PolarHBondContact O-N 2.83Å; Y45-V90 WeakPolarHBondContact CA-O 3.16Å; Y45-V90 HydrophobicContact CD1-CB 3.69Å; Y45-V90 HydrophobicContact CD1-CG1 3.79Å; Y45-V90 HydrophobicContact CD1-CG2 4.24Å; Y45-V90 HydrophobicContact CE1-CB 4.08Å; Y45-V90 HydrophobicContact CE1-CG1 4.07Å; Y45-V90 HydrophobicContact CE1-CG2 4.16Å; Y45-V90 HydrophobicContact CG-CB 4.42Å; I46-V90 PolarHBondContact N-O 2.92Å; L88-V90 HydrophobicContact CD2-CG2 4.46Å; L88-V90 HydrophobicContact CG-CG2 4.24Å; V90-Q92 PolarHBondContact O-N 3.46Å; V90-Q152 HydrophobicContact CG1-CB 3.84Å; V90-Q152 HydrophobicContact CG1-CG 3.73Å
91P98.8Very high96.3Very high13 Ų1341.2 Ų41.28%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-70.4117173.826.8-25000109Y119 Y148P91-Y119 HydrophobicContact CB-CD2 3.88Å; P91-Y119 HydrophobicContact CB-CE2 3.57Å; P91-Y119 HydrophobicContact CB-CG 4.49Å; P91-Y119 WeakPolarHBondContact CD-OH 3.44Å; P91-Y119 HydrophobicContact CG-CE1 4.44Å; P91-Y119 HydrophobicContact CG-CE2 3.95Å; P91-Y148 HydrophobicContact CB-CD2 3.6Å; P91-Y148 HydrophobicContact CB-CE2 4.11Å; P91-Y148 HydrophobicContact CB-CG 4.48Å; P91-Y148 HydrophobicContact CG-CD2 4.3Å
92Q98.8Very high96.4Very high59 Ų5951 Ų5128%0.27630%0.296SS..  trans-134.465.6-170.7-166.168.7-900111.7Y45 I46 C47 V90 T94 L95Y45-Q92 HydrophobicContact CD1-CB 4.23Å; Y45-Q92 HydrophobicContact CD1-CG 4.22Å; I46-Q92 CarbonylContact O-C 3.6Å; I46-Q92 PolarHBondContact O-N 3.49Å; C47-Q92 WeakPolarHBondContact CB-O 3.32Å; V90-Q92 PolarHBondContact O-N 3.46Å; Q92-T94 PolarHBondContact NE2-OG1 3.32Å; Q92-T94 VanDerWaalsContact NE2-OG1 3.17Å; Q92-T94 PolarHBondContact O-N 3.02Å; Q92-L95 HydrophobicContact CB-CD1 4.21Å; Q92-L95 HydrophobicContact CB-CG 4.2Å; Q92-L95 HydrophobicContact CG-CD1 4.31Å; Q92-L95 HydrophobicContact CG-CD2 4.4Å; Q92-L95 HydrophobicContact CG-CG 3.84Å; Q92-L95 WeakPolarHBondContact O-CB 3.41Å; Q92-L95 WeakPolarHBondContact O-CG 3.32Å; Q92-L95 PolarHBondContact O-N 2.85Å
93A97.8Very high96.6Very high48 Ų4848.4 Ų48.440%0.39729%0.291SS..G310 helixtrans-55.6-22179.600000113.8C47 L95 G96 N109C47-A93 PolarHBondContact SG-O 2.92Å; A93-L95 PolarHBondContact O-N 2.89Å; A93-G96 PolarHBondContact O-N 3.48Å; A93-G96 VanDerWaalsContact O-N 3.13Å; A93-N109 PolarHBondContact O-ND2 3.43Å
94T98.1Very high97Very high71 Ų7152 Ų5244%0.43631%0.309SS..G310 helixtrans-64.6-19.5177.752.50000113.6Q92 G96 G97Q92-T94 PolarHBondContact NE2-OG1 3.32Å; Q92-T94 VanDerWaalsContact NE2-OG1 3.17Å; Q92-T94 PolarHBondContact O-N 3.02Å; T94-G96 PolarHBondContact O-N 2.83Å; T94-G96 VanDerWaalsContact O-N 3.15Å; T94-G97 PolarHBondContact O-N 2.87Å
95L98.4Very high97.4Very high36 Ų3652.6 Ų52.619%0.18831%0.307CS..G310 helixtrans-59.6-23.4172.4-66.1176.3000112.5R11 V13 C47 Q92 A93 G97R11-L95 PolarHBondContact NH1-O 3.36Å; V13-L95 HydrophobicContact CB-CD1 4.46Å; V13-L95 HydrophobicContact CB-CD2 4.49Å; V13-L95 HydrophobicContact CG2-CD1 4.07Å; V13-L95 HydrophobicContact CG2-CD2 3.6Å; V13-L95 HydrophobicContact CG2-CG 4.5Å; C47-L95 HydrophobicContact CB-CB 3.75Å; C47-L95 HydrophobicContact CB-CD1 4.34Å; Q92-L95 HydrophobicContact CB-CD1 4.21Å; Q92-L95 HydrophobicContact CB-CG 4.2Å; Q92-L95 HydrophobicContact CG-CD1 4.31Å; Q92-L95 HydrophobicContact CG-CD2 4.4Å; Q92-L95 HydrophobicContact CG-CG 3.84Å; Q92-L95 WeakPolarHBondContact O-CB 3.41Å; Q92-L95 WeakPolarHBondContact O-CG 3.32Å; Q92-L95 PolarHBondContact O-N 2.85Å; A93-L95 PolarHBondContact O-N 2.89Å; L95-G97 VanDerWaalsContact C-N 3.25Å; L95-G97 PolarHBondContact O-N 2.84Å
96G97.4Very high97.7Very high2 Ų257.1 Ų57.12%0.02132%0.324CS..G310 helixtrans-80.1-2175.700000115.6F49 A93 T94 N109F49-G96 VanDerWaalsContact CE1-CA 3.4Å; A93-G96 PolarHBondContact O-N 3.48Å; A93-G96 VanDerWaalsContact O-N 3.13Å; T94-G96 PolarHBondContact O-N 2.83Å; T94-G96 VanDerWaalsContact O-N 3.15Å; G96-N109 WeakPolarHBondContact CA-OD1 3.32Å
97G97.4Very high97.6Very high13 Ų1361.7 Ų61.713%0.13435%0.345CS..  trans-65.1137.3-178.100000113.1T94 L95 Q105 Y106T94-G97 PolarHBondContact O-N 2.87Å; L95-G97 VanDerWaalsContact C-N 3.25Å; L95-G97 PolarHBondContact O-N 2.84Å; G97-Q105 CarbonylContact C-O 3.48Å; G97-Q105 WeakPolarHBondContact CA-O 3.44Å; G97-Y106 VanDerWaalsContact CA-CD1 3.43Å
98K96.8Very high97.5Very high115 Ų11565.7 Ų65.750%0.536%0.363SS..EExtended strand (participates in β ladder)trans-116.8132.7168.1-65.9-176.7178.21780109.4M104 Q105K98-M104 CarbonylContact O-C 3.58Å; K98-M104 WeakPolarHBondContact O-CA 3.43Å; K98-Q105 PolarHBondContact N-O 3.43Å; K98-Q105 PolarHBondContact O-N 3.43Å
99A97.1Very high97.5Very high86 Ų8666.9 Ų66.971%0.71137%0.37SS*.EExtended strand (participates in β ladder)trans-65.3135177.400000110.8M104A99-M104 HydrophobicContact CB-SD 4.09Å
100K97Very high97.4Very high129 Ų12967.9 Ų67.956%0.56138%0.375SS*.EExtended strand (participates in β ladder)trans-143.7110.7171.5-174.5178.1179.8176.40109.7K102 G103 Q105K100-K102 PolarHBondContact O-N 3.09Å; K100-G103 PolarHBondContact N-O 3.19Å; K100-G103 PolarHBondContact O-N 3.28Å; K100-G103 VanDerWaalsContact O-N 3.12Å; K100-Q105 HydrophobicContact CB-CG 3.95Å; K100-Q105 HydrophobicContact CD-CG 3.98Å; K100-Q105 VanDerWaalsContact CD-NE2 3.26Å; K100-Q105 VanDerWaalsContact NZ-NE2 3.16Å
101G95.9Very high97.4Very high81 Ų8169.5 Ų69.584%0.83539%0.392SS*.THydrogen-bonded Turntrans59.5-124.1-171.200000110.5
102K96.5Very high97.3Very high229 Ų22976.9 Ų76.9100%0.99642%0.423SS*.THydrogen-bonded Turntrans-95.68.9178.2-60.3-176.8179.8-179.10113.8K100K100-K102 PolarHBondContact O-N 3.09Å
103G96.9Very high97.3Very high40 Ų4082.2 Ų82.241%0.41245%0.448SS..EExtended strand (participates in β ladder)trans-127.9177.4-177.100000113.6K100K100-G103 PolarHBondContact N-O 3.19Å; K100-G103 PolarHBondContact O-N 3.28Å; K100-G103 VanDerWaalsContact O-N 3.12Å
104M97.6Very high97.3Very high100 Ų10085.7 Ų85.749%0.49346%0.456SS..EExtended strand (participates in β ladder)trans-113.3142.4176.3-62.8-63.5-77.400110.4K98 A99 Y106K98-M104 CarbonylContact O-C 3.58Å; K98-M104 WeakPolarHBondContact O-CA 3.43Å; A99-M104 HydrophobicContact CB-SD 4.09Å; M104-Y106 HydrophobicContact CB-CE2 3.96Å; M104-Y106 WeakPolarHBondContact CB-OH 3.39Å
105Q97.5Very high97.3Very high61 Ų6182.3 Ų82.329%0.28544%0.435SS..EExtended strand (participates in β ladder)trans-118.6143.5174.4-63-163.5-44.600111.7G97 K98 K100 H107G97-Q105 CarbonylContact C-O 3.48Å; G97-Q105 WeakPolarHBondContact CA-O 3.44Å; K98-Q105 PolarHBondContact N-O 3.43Å; K98-Q105 PolarHBondContact O-N 3.43Å; K100-Q105 HydrophobicContact CB-CG 3.95Å; K100-Q105 HydrophobicContact CD-CG 3.98Å; K100-Q105 VanDerWaalsContact CD-NE2 3.26Å; K100-Q105 VanDerWaalsContact NZ-NE2 3.16Å; Q105-H107 VanDerWaalsContact CD-NE2 3.25Å; Q105-H107 PolarHBondContact NE2-NE2 2.88Å; Q105-H107 PolarHBondContact OE1-CD2 2.92Å; Q105-H107 PolarHBondContact OE1-NE2 2.91Å
106Y97.6Very high97.3Very high96 Ų9684.4 Ų84.438%0.37645%0.446SS..  trans-123.828.9-173-55.7-80000112.6G97 M104 H108 N109G97-Y106 VanDerWaalsContact CA-CD1 3.43Å; M104-Y106 HydrophobicContact CB-CE2 3.96Å; M104-Y106 WeakPolarHBondContact CB-OH 3.39Å; Y106-H108 PolarHBondContact O-N 3.41Å; Y106-N109 WeakPolarHBondContact O-CB 3.42Å; Y106-N109 PolarHBondContact O-N 3.01Å
107H95.6Very high97.4Very high114 Ų11489.1 Ų89.153%0.52847%0.468SS..THydrogen-bonded Turntrans-58.9-19.6-172.6-65.9-56.3000115.1K50 Q105K50-H107 VanDerWaalsContact CE-O 3.26Å; K50-H107 WeakPolarHBondContact CE-O 3.44Å; K50-H107 PolarHBondContact NZ-O 2.69Å; Q105-H107 VanDerWaalsContact CD-NE2 3.25Å; Q105-H107 PolarHBondContact NE2-NE2 2.88Å; Q105-H107 PolarHBondContact OE1-CD2 2.92Å; Q105-H107 PolarHBondContact OE1-NE2 2.91Å
108H96.1Very high97.4Very high85 Ų8589 Ų8939%0.39446%0.464SS..THydrogen-bonded Turntrans-96.7-9.4-178.3-57.786.1000112.9F49 K50 Y106F49-H108 CarbonylContact C-O 3.6Å; F49-H108 VanDerWaalsContact CA-O 3.26Å; F49-H108 WeakPolarHBondContact CA-O 3.49Å; F49-H108 WeakPolarHBondContact CB-O 3.36Å; F49-H108 HydrophobicContact CD1-CB 4.15Å; F49-H108 WeakPolarHBondContact CD1-O 3.49Å; K50-H108 PolarHBondContact N-O 2.85Å; Y106-H108 PolarHBondContact O-N 3.41Å
109N97.9Very high97.5Very high25 Ų2583.9 Ų83.913%0.13444%0.441CS..BIsolated β-bridgetrans-64.6146.5178.2-71.624.6000110.5K50 A93 G96 Y106K50-N109 WeakPolarHBondContact CE-O 3.31Å; K50-N109 WeakPolarHBondContact CG-O 3.22Å; A93-N109 PolarHBondContact O-ND2 3.43Å; G96-N109 WeakPolarHBondContact CA-OD1 3.32Å; Y106-N109 WeakPolarHBondContact O-CB 3.42Å; Y106-N109 PolarHBondContact O-N 3.01Å
110I98.2Very high97.6Very high21 Ų2182.1 Ų82.111%0.10842%0.424CS..PPolyproline II helixtrans-63.4158.6172-159.2169.7000111.5F48 A52 E114 G115 L118F48-I110 HydrophobicContact CB-CB 4.28Å; F48-I110 HydrophobicContact CB-CD1 4.49Å; F48-I110 HydrophobicContact CB-CG2 3.71Å; F48-I110 PolarHBondContact O-N 2.86Å; F48-I110 VanDerWaalsContact O-N 3.14Å; A52-I110 HydrophobicContact CB-CD1 4.41Å; I110-E114 HydrophobicContact CD1-CB 3.67Å; I110-E114 HydrophobicContact CG1-CB 3.76Å; I110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; I110-G115 VanDerWaalsContact CG2-CA 3.49Å; I110-L118 HydrophobicContact CD1-CD1 3.38Å; I110-L118 HydrophobicContact CD1-CG 4.34Å
111G97.9Very high97.7Very high36 Ų3677.9 Ų77.937%0.37141%0.408SS..PPolyproline II helixtrans-63.1159.1173.800000112.8E113 G115G111-E113 PolarHBondContact O-N 3.17Å; G111-G115 PolarHBondContact O-N 3.23Å
112K97.3Very high97.8Very high167 Ų16774 Ų7473%0.72637%0.368SS*.Hα-helixtrans-60.3-46.8-175.7-175.8-177176.5-173.80112.7L116K112-L116 WeakPolarHBondContact O-CB 3.24Å; K112-L116 PolarHBondContact O-N 2.81Å
113E97.8Very high97.9Very high172 Ų17263.4 Ų63.480%0.80432%0.322SS*.Hα-helixtrans-70-50.7-176.5-67.8171.9-169.500111.4G111 G115 L116 Q117G111-E113 PolarHBondContact O-N 3.17Å; E113-G115 VanDerWaalsContact C-N 3.32Å; E113-G115 PolarHBondContact O-N 3.04Å; E113-L116 WeakPolarHBondContact O-CB 3.5Å; E113-L116 PolarHBondContact O-N 3.5Å; E113-Q117 PolarHBondContact O-N 3.29Å
114E97.8Very high98Very high120 Ų12064.7 Ų64.756%0.56133%0.325SS*.Hα-helixtrans-58.5-43.6174.8-64.5174.3157.100111.7I110 L116 Q117 L118I110-E114 HydrophobicContact CD1-CB 3.67Å; I110-E114 HydrophobicContact CG1-CB 3.76Å; I110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 2.85Å; E114-Q117 PolarHBondContact O-N 2.99Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.15Å
115G98.3Very high98Very high0 Ų061.2 Ų61.20%031%0.308CS..Hα-helixtrans-64.8-36177.800000113.4I110 G111 E113 Y119I110-G115 VanDerWaalsContact CG2-CA 3.49Å; G111-G115 PolarHBondContact O-N 3.23Å; E113-G115 VanDerWaalsContact C-N 3.32Å; E113-G115 PolarHBondContact O-N 3.04Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 3.04Å
116L98.6Very high98Very high80 Ų8058.4 Ų58.442%0.41930%0.295SS..Hα-helixtrans-64.3-43.6172.5173.362.8000110.9K112 E113 E114 Y119 S120 Y148K112-L116 WeakPolarHBondContact O-CB 3.24Å; K112-L116 PolarHBondContact O-N 2.81Å; E113-L116 WeakPolarHBondContact O-CB 3.5Å; E113-L116 PolarHBondContact O-N 3.5Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 2.85Å; L116-Y119 PolarHBondContact O-N 2.97Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.85Å; L116-S120 PolarHBondContact O-OG 3.12Å; L116-Y148 HydrophobicContact CB-CD1 3.89Å; L116-Y148 HydrophobicContact CB-CE1 3.91Å; L116-Y148 HydrophobicContact CB-CG 4.46Å; L116-Y148 HydrophobicContact CD1-CD1 3.79Å; L116-Y148 HydrophobicContact CD1-CG 3.78Å; L116-Y148 HydrophobicContact CG-CD1 4.39Å
117Q98.5Very high97.9Very high102 Ų10257.7 Ų57.748%0.47730%0.295SS..Hα-helixtrans-61.7-49.7178.1-17461.150.100111.3E113 E114 Y119 S120 N121E113-Q117 PolarHBondContact O-N 3.29Å; E114-Q117 PolarHBondContact O-N 2.99Å; Q117-Y119 VanDerWaalsContact C-N 3.32Å; Q117-Y119 PolarHBondContact O-N 2.78Å; Q117-S120 PolarHBondContact O-N 2.84Å; Q117-N121 PolarHBondContact NE2-OD1 2.97Å; Q117-N121 WeakPolarHBondContact O-CB 3.27Å; Q117-N121 VanDerWaalsContact O-CG 3.25Å; Q117-N121 PolarHBondContact O-N 2.96Å; Q117-N121 PolarHBondContact O-OD1 3.4Å
118L98.6Very high97.8Very high10 Ų1058.2 Ų58.25%0.05230%0.296CS..Hα-helixtrans-63.6-38.2178.3-65.3-178.1000112.1F48 A52 E54 I57 I110 E114 N121 F122F48-L118 HydrophobicContact CB-CD1 4.21Å; F48-L118 HydrophobicContact CD1-CB 4.41Å; F48-L118 HydrophobicContact CD1-CD1 4.07Å; F48-L118 HydrophobicContact CD2-CB 3.97Å; F48-L118 HydrophobicContact CE1-CB 4.33Å; F48-L118 HydrophobicContact CE2-CB 3.89Å; F48-L118 HydrophobicContact CG-CB 4.23Å; F48-L118 HydrophobicContact CG-CD1 4.04Å; F48-L118 HydrophobicContact CZ-CB 4.07Å; A52-L118 HydrophobicContact CB-CD1 3.69Å; E54-L118 HydrophobicContact CG-CD2 4.25Å; I57-L118 HydrophobicContact CD1-CB 4.29Å; I57-L118 HydrophobicContact CD1-CD2 3.84Å; I57-L118 WeakPolarHBondContact CD1-O 3.45Å; I57-L118 HydrophobicContact CG1-CD2 4.42Å; I110-L118 HydrophobicContact CD1-CD1 3.38Å; I110-L118 HydrophobicContact CD1-CG 4.34Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.15Å; L118-N121 PolarHBondContact O-N 3.23Å; L118-F122 VanDerWaalsContact O-CB 3.27Å; L118-F122 WeakPolarHBondContact O-CB 3.49Å; L118-F122 PolarHBondContact O-N 2.94Å
119Y98.8Very high97.7Very high7 Ų756.8 Ų56.83%0.02729%0.289CS..Hα-helixtrans-62.9-47.8176177-99.9000112I46 I89 P91 G115 L116 Q117 N121 F122 V123 G146 Y148I46-Y119 HydrophobicContact CG2-CD2 4.02Å; I46-Y119 HydrophobicContact CG2-CE2 4.18Å; I89-Y119 HydrophobicContact CG2-CE2 3.65Å; I89-Y119 PolarHBondContact O-OH 2.9Å; P91-Y119 HydrophobicContact CB-CD2 3.88Å; P91-Y119 HydrophobicContact CB-CE2 3.57Å; P91-Y119 HydrophobicContact CB-CG 4.49Å; P91-Y119 WeakPolarHBondContact CD-OH 3.44Å; P91-Y119 HydrophobicContact CG-CE1 4.44Å; P91-Y119 HydrophobicContact CG-CE2 3.95Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 3.04Å; L116-Y119 PolarHBondContact O-N 2.97Å; Q117-Y119 VanDerWaalsContact C-N 3.32Å; Q117-Y119 PolarHBondContact O-N 2.78Å; Y119-N121 VanDerWaalsContact C-N 3.34Å; Y119-N121 PolarHBondContact O-N 3.43Å; Y119-F122 WeakPolarHBondContact O-CB 3.44Å; Y119-F122 PolarHBondContact O-N 3.13Å; Y119-V123 HydrophobicContact CD1-CG2 4.39Å; Y119-V123 HydrophobicContact CE1-CG2 3.96Å; Y119-V123 HydrophobicContact CE2-CG2 4.2Å; Y119-V123 WeakPolarHBondContact O-CG2 3.35Å; Y119-V123 PolarHBondContact O-N 3.31Å; Y119-G146 PolarHBondContact OH-N 3.01Å; Y119-G146 PolarHBondContact OH-O 2.93Å; Y119-Y148 AromaticContact CD1-CD2 3.73Å; Y119-Y148 HydrophobicContact CD1-CD2 3.73Å; Y119-Y148 HydrophobicContact CD1-CG 4.22Å; Y119-Y148 HydrophobicContact CD2-CD2 4.16Å; Y119-Y148 HydrophobicContact CE1-CD2 4.39Å; Y119-Y148 AromaticContact CG-CD2 3.59Å; Y119-Y148 HydrophobicContact CG-CD2 3.59Å; Y119-Y148 HydrophobicContact CG-CE2 4.21Å; Y119-Y148 HydrophobicContact CG-CG 4.49Å
120S98.6Very high97.3Very high49 Ų4955.9 Ų55.934%0.34328%0.284SS..Hα-helixtrans-60-45.5177-61.30000111.3L116 Q117 F122 V123 S124L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.85Å; L116-S120 PolarHBondContact O-OG 3.12Å; Q117-S120 PolarHBondContact O-N 2.84Å; S120-F122 VanDerWaalsContact C-N 3.33Å; S120-F122 PolarHBondContact O-N 3.16Å; S120-V123 PolarHBondContact O-N 3.14Å; S120-S124 PolarHBondContact O-N 3.42Å; S120-S124 PolarHBondContact O-OG 2.97Å
121N98.6Very high96.8Very high41 Ų4158.2 Ų58.222%0.21931%0.307CS..Hα-helixtrans-62-39.8176.6-70.8-3.5000112.2E54 I57 Q117 L118 Y119 L125E54-N121 PolarHBondContact OE1-ND2 3.31Å; I57-N121 HydrophobicContact CD1-CB 3.45Å; I57-N121 VanDerWaalsContact CD1-CB 3.45Å; Q117-N121 PolarHBondContact NE2-OD1 2.97Å; Q117-N121 WeakPolarHBondContact O-CB 3.27Å; Q117-N121 VanDerWaalsContact O-CG 3.25Å; Q117-N121 PolarHBondContact O-N 2.96Å; Q117-N121 PolarHBondContact O-OD1 3.4Å; L118-N121 PolarHBondContact O-N 3.23Å; Y119-N121 VanDerWaalsContact C-N 3.34Å; Y119-N121 PolarHBondContact O-N 3.43Å; N121-L125 WeakPolarHBondContact O-CB 3.48Å; N121-L125 PolarHBondContact O-N 3.35Å
122F98.8Very high96.3Very high0 Ų062.1 Ų62.10%032%0.319CS..Hα-helixtrans-62.9-46.2176173.7-103.4000112.1V44 I46 F48 I57 I60 V61 L64 I89 L118 Y119 S120 L125 C126V44-F122 HydrophobicContact CG1-CE1 4.38Å; V44-F122 HydrophobicContact CG1-CZ 4.15Å; I46-F122 HydrophobicContact CD1-CD1 3.84Å; I46-F122 HydrophobicContact CD1-CD2 3.93Å; I46-F122 HydrophobicContact CD1-CE1 3.82Å; I46-F122 HydrophobicContact CD1-CE2 3.94Å; I46-F122 HydrophobicContact CD1-CG 3.9Å; I46-F122 HydrophobicContact CD1-CZ 3.88Å; I46-F122 HydrophobicContact CG2-CD1 4.37Å; I46-F122 HydrophobicContact CG2-CE1 4.34Å; F48-F122 HydrophobicContact CZ-CB 4.14Å; F48-F122 HydrophobicContact CZ-CG 4.46Å; I57-F122 HydrophobicContact CG2-CB 3.98Å; I57-F122 HydrophobicContact CG2-CD2 4.15Å; I60-F122 HydrophobicContact CB-CE2 4.32Å; I60-F122 HydrophobicContact CG2-CD2 4.26Å; I60-F122 HydrophobicContact CG2-CE2 3.59Å; I60-F122 HydrophobicContact CG2-CZ 4.34Å; V61-F122 HydrophobicContact CG2-CD2 3.55Å; V61-F122 HydrophobicContact CG2-CE2 3.56Å; L64-F122 HydrophobicContact CD1-CE2 4.26Å; L64-F122 HydrophobicContact CD1-CZ 3.95Å; I89-F122 HydrophobicContact CD1-CD1 4.15Å; I89-F122 HydrophobicContact CD1-CE1 3.76Å; I89-F122 HydrophobicContact CG1-CE1 4.05Å; I89-F122 HydrophobicContact CG2-CD1 3.97Å; I89-F122 HydrophobicContact CG2-CE1 3.67Å; L118-F122 VanDerWaalsContact O-CB 3.27Å; L118-F122 WeakPolarHBondContact O-CB 3.49Å; L118-F122 PolarHBondContact O-N 2.94Å; Y119-F122 WeakPolarHBondContact O-CB 3.44Å; Y119-F122 PolarHBondContact O-N 3.13Å; S120-F122 VanDerWaalsContact C-N 3.33Å; S120-F122 PolarHBondContact O-N 3.16Å; F122-L125 PolarHBondContact O-N 3.05Å; F122-C126 PolarHBondContact O-N 2.97Å
123V98.7Very high95.6Very high5 Ų555.1 Ų55.13%0.0329%0.291CS..Hα-helixtrans-59.5-51.9175.7170.70000110.8I89 Y119 S120 L125 C126 E127 H145I89-V123 HydrophobicContact CB-CG2 4.44Å; I89-V123 HydrophobicContact CD1-CB 4.44Å; I89-V123 HydrophobicContact CD1-CG2 3.99Å; I89-V123 HydrophobicContact CG2-CG2 4.13Å; Y119-V123 HydrophobicContact CD1-CG2 4.39Å; Y119-V123 HydrophobicContact CE1-CG2 3.96Å; Y119-V123 HydrophobicContact CE2-CG2 4.2Å; Y119-V123 WeakPolarHBondContact O-CG2 3.35Å; Y119-V123 PolarHBondContact O-N 3.31Å; S120-V123 PolarHBondContact O-N 3.14Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.88Å; V123-C126 WeakPolarHBondContact O-CB 3.26Å; V123-C126 PolarHBondContact O-N 2.81Å; V123-C126 VanDerWaalsContact O-N 3.16Å; V123-E127 WeakPolarHBondContact O-CG 3.24Å; V123-E127 PolarHBondContact O-N 3.41Å; V123-H145 HydrophobicContact CG1-CB 4.15Å; V123-H145 VanDerWaalsContact CG1-CD2 3.43Å; V123-H145 WeakPolarHBondContact CG1-CD2 3.46Å; V123-H145 HydrophobicContact CG2-CB 3.9Å
124S98.3Very high93.8Very high68 Ų6852.5 Ų52.548%0.47629%0.292SS..Hα-helixtrans-61.5-35.8-179-63.20000112.9S120 K128S120-S124 PolarHBondContact O-N 3.42Å; S120-S124 PolarHBondContact O-OG 2.97Å; S124-K128 WeakPolarHBondContact O-CB 3.26Å; S124-K128 PolarHBondContact O-N 3.49Å
125L97.7Very high92Very high26 Ų2650 Ų5014%0.13628%0.282CS..Hα-helixtrans-72-39.5176.3-172.860.8000111.8I57 Q58 V61 N121 F122 V123 E127 K128 E129I57-L125 HydrophobicContact CG2-CB 4.45Å; I57-L125 HydrophobicContact CG2-CD2 3.91Å; Q58-L125 HydrophobicContact CB-CD2 4.34Å; V61-L125 HydrophobicContact CB-CD2 4.06Å; V61-L125 HydrophobicContact CB-CG 4.25Å; V61-L125 HydrophobicContact CG1-CD2 4.5Å; V61-L125 HydrophobicContact CG1-CG 4.18Å; V61-L125 HydrophobicContact CG2-CB 4.13Å; V61-L125 HydrophobicContact CG2-CD2 3.84Å; V61-L125 HydrophobicContact CG2-CG 4Å; N121-L125 WeakPolarHBondContact O-CB 3.48Å; N121-L125 PolarHBondContact O-N 3.35Å; F122-L125 PolarHBondContact O-N 3.05Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.88Å; L125-E127 VanDerWaalsContact C-N 3.35Å; L125-E127 PolarHBondContact O-N 3.08Å; L125-K128 HydrophobicContact CD1-CD 4.44Å; L125-K128 PolarHBondContact O-N 3.36Å; L125-E129 HydrophobicContact CD1-CG 4.23Å; L125-E129 HydrophobicContact CG-CG 4.35Å; L125-E129 WeakPolarHBondContact O-CB 3.36Å; L125-E129 WeakPolarHBondContact O-CG 3.21Å; L125-E129 PolarHBondContact O-N 2.99Å
126C97.4Very high90Very high3 Ų351.1 Ų51.12%0.0229%0.29CS..Hα-helixtrans-58.3-46171.4-79.10000111.8I89 F122 V123 K128 E129 L130 V143I89-C126 HydrophobicContact CD1-CB 3.83Å; F122-C126 PolarHBondContact O-N 2.97Å; V123-C126 WeakPolarHBondContact O-CB 3.26Å; V123-C126 PolarHBondContact O-N 2.81Å; V123-C126 VanDerWaalsContact O-N 3.16Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-K128 PolarHBondContact O-N 3.03Å; C126-E129 PolarHBondContact O-N 2.87Å; C126-L130 VanDerWaalsContact O-CB 3.27Å; C126-L130 WeakPolarHBondContact O-CB 3.46Å; C126-L130 PolarHBondContact O-N 3.11Å; C126-V143 HydrophobicContact CB-CG2 4.47Å
127E95.7Very high88Confident80 Ų8052.9 Ų52.937%0.37431%0.309SS..Hα-helixtrans-57.8-46.4176.4-75.2170.7166.200112V123 L125 A131 V143V123-E127 WeakPolarHBondContact O-CG 3.24Å; V123-E127 PolarHBondContact O-N 3.41Å; L125-E127 VanDerWaalsContact C-N 3.35Å; L125-E127 PolarHBondContact O-N 3.08Å; E127-A131 WeakPolarHBondContact O-CB 3.33Å; E127-A131 PolarHBondContact O-N 2.89Å; E127-V143 HydrophobicContact CG-CB 3.71Å; E127-V143 HydrophobicContact CG-CG1 4.1Å; E127-V143 HydrophobicContact CG-CG2 3.99Å
128K94.5Very high85.9Confident126 Ų12657 Ų5755%0.54833%0.328SS..Hα-helixtrans-62.9-50.4178.8-177.2-174.9174.8-1700112.1S124 L125 C126 L130 A131 L132S124-K128 WeakPolarHBondContact O-CB 3.26Å; S124-K128 PolarHBondContact O-N 3.49Å; L125-K128 HydrophobicContact CD1-CD 4.44Å; L125-K128 PolarHBondContact O-N 3.36Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-K128 PolarHBondContact O-N 3.03Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.49Å; K128-A131 PolarHBondContact O-N 3.05Å; K128-L132 HydrophobicContact CG-CD1 4.05Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.46Å; K128-L132 PolarHBondContact O-N 3.11Å
129E92.7Very high84Confident54 Ų5459.6 Ų59.625%0.25235%0.345SS..Hα-helixtrans-64.7-38.9-179.1-69.6-58.2144.600111.5V61 L65 L125 C126 L132 S133V61-E129 HydrophobicContact CG1-CB 4.18Å; V61-E129 HydrophobicContact CG1-CG 3.8Å; L65-E129 HydrophobicContact CD1-CB 3.74Å; L125-E129 HydrophobicContact CD1-CG 4.23Å; L125-E129 HydrophobicContact CG-CG 4.35Å; L125-E129 WeakPolarHBondContact O-CB 3.36Å; L125-E129 WeakPolarHBondContact O-CG 3.21Å; L125-E129 PolarHBondContact O-N 2.99Å; C126-E129 PolarHBondContact O-N 2.87Å; E129-L132 PolarHBondContact O-N 2.83Å; E129-S133 PolarHBondContact O-N 3.43Å
130L90.2Very high82.8Confident6 Ų661.8 Ų61.83%0.03137%0.37CS..Hα-helixtrans-60.9-49.8174.6-153.196.7000109.9L81 V87 C126 K128 L132 S133 S136 M141 V143L81-L130 HydrophobicContact CD2-CD1 3.9Å; L81-L130 HydrophobicContact CD2-CG 4.47Å; V87-L130 HydrophobicContact CG2-CD1 3.94Å; C126-L130 VanDerWaalsContact O-CB 3.27Å; C126-L130 WeakPolarHBondContact O-CB 3.46Å; C126-L130 PolarHBondContact O-N 3.11Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.49Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.15Å; L130-S133 WeakPolarHBondContact O-CB 3.35Å; L130-S133 PolarHBondContact O-N 2.99Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 2.96Å; L130-S136 PolarHBondContact O-OG 2.87Å; L130-M141 HydrophobicContact CD1-SD 4.44Å; L130-M141 HydrophobicContact CD2-CB 3.46Å; L130-M141 VanDerWaalsContact CD2-CB 3.46Å; L130-M141 HydrophobicContact CG-CB 4.14Å; L130-M141 HydrophobicContact CG-SD 4.33Å; L130-V143 HydrophobicContact CB-CG2 4.18Å; L130-V143 HydrophobicContact CD1-CG2 4.49Å; L130-V143 HydrophobicContact CD2-CG2 3.87Å; L130-V143 HydrophobicContact CG-CG2 4.42Å
131A88.1Confident82.2Confident71 Ų7160.4 Ų60.459%0.58736%0.358SS*.Hα-helixtrans-64.3-29-178.700000114.4E127 K128 S133 S136E127-A131 WeakPolarHBondContact O-CB 3.33Å; E127-A131 PolarHBondContact O-N 2.89Å; K128-A131 PolarHBondContact O-N 3.05Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S136 PolarHBondContact O-OG 3.22Å
132L87.6Confident81.9Confident117 Ų11761.5 Ų61.561%0.61336%0.363SS*.Hα-helixtrans-77.4-16.8176.7-72173.4000113.1K128 E129 L130K128-L132 HydrophobicContact CG-CD1 4.05Å; K128-L132 VanDerWaalsContact O-CG 3.29Å; K128-L132 WeakPolarHBondContact O-CG 3.46Å; K128-L132 PolarHBondContact O-N 3.11Å; E129-L132 PolarHBondContact O-N 2.83Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.15Å
133S81.5Confident81.8Confident20 Ų2062.3 Ų62.314%0.1437%0.368CS..SBendtrans-67.2140-178.475.80000110.9E129 L130 A131 N135 S136 M141E129-S133 PolarHBondContact O-N 3.43Å; L130-S133 WeakPolarHBondContact O-CB 3.35Å; L130-S133 PolarHBondContact O-N 2.99Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 2.96Å; A131-S133 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 3.47Å; S133-S136 WeakPolarHBondContact O-CB 3.43Å; S133-S136 PolarHBondContact O-N 3.22Å; S133-S136 PolarHBondContact O-OG 2.8Å; S133-S136 PolarHBondContact OG-OG 2.75Å; S133-M141 WeakPolarHBondContact OG-CE 3.48Å
134S60.7Low81.8Confident117 Ų11765.7 Ų65.782%0.81838%0.382SS*.THydrogen-bonded Turntrans-60.9-16.4-170.5-40.20000114.1
135N60.8Low81.9Confident68 Ų6865.9 Ų65.936%0.36438%0.376SS..THydrogen-bonded Turntrans-92.3-9.9-178.6-61.3-32.5000113.1L81 S133 T139 M141L81-N135 PolarHBondContact O-ND2 3.47Å; S133-N135 PolarHBondContact O-N 3.47Å; N135-T139 WeakPolarHBondContact O-CB 3.42Å; N135-T139 VanDerWaalsContact O-CG2 3.26Å; N135-T139 WeakPolarHBondContact O-CG2 3.48Å; N135-T139 PolarHBondContact O-N 2.92Å; N135-T139 PolarHBondContact O-OG1 3.31Å; N135-M141 HydrophobicContact CB-CE 4.27Å
136S56.5Low81.9Confident23 Ų2364.7 Ų64.716%0.16137%0.369CS..Hα-helixtrans-70-39.2-167-39.40000114.9L130 A131 S133 E138 G140L130-S136 PolarHBondContact O-OG 2.87Å; A131-S136 PolarHBondContact O-OG 3.22Å; S133-S136 WeakPolarHBondContact O-CB 3.43Å; S133-S136 PolarHBondContact O-N 3.22Å; S133-S136 PolarHBondContact O-OG 2.8Å; S133-S136 PolarHBondContact OG-OG 2.75Å; S136-E138 PolarHBondContact O-N 3.39Å; S136-G140 PolarHBondContact O-N 2.96Å
137S55.3Low82Confident118 Ų11867 Ų6783%0.82538%0.384SS*.Hα-helixtrans-69.9-17.6-172.827.70000113.5
138E55.5Low82.1Confident187 Ų18766 Ų6687%0.87438%0.377SS*.Hα-helixtrans-110.8-23.5177.6-68.1-173.9172.500113.7S136S136-E138 PolarHBondContact O-N 3.39Å
139T58.8Low82.2Confident65 Ų6563 Ų6340%0.39938%0.381SS..Hα-helixtrans-101.8-11.5-169.560.20000115.1P84 N135 M141P84-T139 HydrophobicContact CB-CG2 3.78Å; P84-T139 WeakPolarHBondContact CB-OG1 3.25Å; P84-T139 HydrophobicContact CG-CG2 3.83Å; N135-T139 WeakPolarHBondContact O-CB 3.42Å; N135-T139 VanDerWaalsContact O-CG2 3.26Å; N135-T139 WeakPolarHBondContact O-CG2 3.48Å; N135-T139 PolarHBondContact O-N 2.92Å; N135-T139 PolarHBondContact O-OG1 3.31Å; T139-M141 VanDerWaalsContact C-N 3.28Å; T139-M141 PolarHBondContact O-N 3.42Å
140G73Confident82.4Confident54 Ų5463.3 Ų63.356%0.55739%0.385SS*.  trans6627.3174.700000114.3S136 I142S136-G140 PolarHBondContact O-N 2.96Å; G140-I142 PolarHBondContact O-N 3.03Å
141M86.1Confident82.8Confident20 Ų2072.8 Ų72.810%0.09942%0.42CS..  trans-55.8134.1174.1-67.8-176.7-76.100110.8P84 L130 S133 N135 T139P84-M141 WeakPolarHBondContact CA-SD 3.17Å; P84-M141 HydrophobicContact CB-CE 4.45Å; P84-M141 HydrophobicContact CB-CG 3.8Å; P84-M141 HydrophobicContact CB-SD 3.8Å; L130-M141 HydrophobicContact CD1-SD 4.44Å; L130-M141 HydrophobicContact CD2-CB 3.46Å; L130-M141 VanDerWaalsContact CD2-CB 3.46Å; L130-M141 HydrophobicContact CG-CB 4.14Å; L130-M141 HydrophobicContact CG-SD 4.33Å; S133-M141 WeakPolarHBondContact OG-CE 3.48Å; N135-M141 HydrophobicContact CB-CE 4.27Å; T139-M141 VanDerWaalsContact C-N 3.28Å; T139-M141 PolarHBondContact O-N 3.42Å
142I92.3Very high83.3Confident64 Ų6471.1 Ų71.133%0.32840%0.4SS..  trans-122.7142.1179.557.1176.4000111.5I38 N86 V87 G140 K144I38-I142 HydrophobicContact CG2-CD1 4.32Å; I38-I142 HydrophobicContact CG2-CG1 4.39Å; N86-I142 HydrophobicContact CB-CG1 4.19Å; N86-I142 WeakPolarHBondContact OD1-CG1 3.41Å; N86-I142 PolarHBondContact OD1-N 3.42Å; V87-I142 PolarHBondContact N-O 3.35Å; G140-I142 PolarHBondContact O-N 3.03Å; I142-K144 HydrophobicContact CD1-CG 4.14Å
143V97.3Very high83.8Confident16 Ų1668.1 Ų68.110%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-93.5130.5158.7-174.70000108.1V87 I89 C126 E127 L130V87-V143 HydrophobicContact CB-CG2 4.44Å; V87-V143 CarbonylContact O-C 3.54Å; V87-V143 WeakPolarHBondContact O-CA 3.45Å; I89-V143 HydrophobicContact CD1-CG1 3.75Å; I89-V143 HydrophobicContact CG1-CG1 4.32Å; C126-V143 HydrophobicContact CB-CG2 4.47Å; E127-V143 HydrophobicContact CG-CB 3.71Å; E127-V143 HydrophobicContact CG-CG1 4.1Å; E127-V143 HydrophobicContact CG-CG2 3.99Å; L130-V143 HydrophobicContact CB-CG2 4.18Å; L130-V143 HydrophobicContact CD1-CG2 4.49Å; L130-V143 HydrophobicContact CD2-CG2 3.87Å; L130-V143 HydrophobicContact CG-CG2 4.42Å
144K98.6Very high84.6Confident77 Ų7769.7 Ų69.734%0.33539%0.393SS..EExtended strand (participates in β ladder)trans-121.2155.2165.5-64-62.4179-177.60108.5V36 I38 V87 L88 I89 I142V36-K144 HydrophobicContact CB-CB 4.17Å; V36-K144 HydrophobicContact CB-CD 4.12Å; V36-K144 HydrophobicContact CB-CG 4.23Å; V36-K144 HydrophobicContact CG1-CD 4.28Å; V36-K144 HydrophobicContact CG2-CB 3.97Å; I38-K144 HydrophobicContact CG2-CB 3.83Å; I38-K144 HydrophobicContact CG2-CG 3.66Å; V87-K144 PolarHBondContact O-N 3.21Å; L88-K144 CarbonylContact C-O 3.54Å; L88-K144 VanDerWaalsContact CA-O 3.31Å; L88-K144 WeakPolarHBondContact CA-O 3.49Å; L88-K144 HydrophobicContact CD1-CB 3.9Å; I89-K144 PolarHBondContact N-O 2.9Å; I142-K144 HydrophobicContact CD1-CG 4.14Å
145H98.9Very high86.5Confident72 Ų7270.7 Ų70.733%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-147.2152.7-176.367.380.3000112V24 I89 V123V24-H145 WeakPolarHBondContact CG1-O 3.5Å; I89-H145 HydrophobicContact CB-CB 4.05Å; I89-H145 CarbonylContact O-C 3.58Å; I89-H145 VanDerWaalsContact O-CA 3.24Å; I89-H145 WeakPolarHBondContact O-CA 3.41Å; V123-H145 HydrophobicContact CG1-CB 4.15Å; V123-H145 VanDerWaalsContact CG1-CD2 3.43Å; V123-H145 WeakPolarHBondContact CG1-CD2 3.46Å; V123-H145 HydrophobicContact CG2-CB 3.9Å
146G98.8Very high88.3Confident0 Ų070 Ų700%038%0.379CS..PPolyproline II helixtrans-72.6155.3172.300000111.9I89 Y119 Y148I89-G146 PolarHBondContact O-N 3.46Å; Y119-G146 PolarHBondContact OH-N 3.01Å; Y119-G146 PolarHBondContact OH-O 2.93Å; G146-Y148 PolarHBondContact O-N 3.2Å
147T98.7Very high90.3Very high53 Ų5373 Ų7333%0.32539%0.393SS..PPolyproline II helixtrans-78.9119.7171.1-57.70000109V24 G149 N150 Q152V24-T147 VanDerWaalsContact O-CB 3.23Å; V24-T147 WeakPolarHBondContact O-CB 3.39Å; V24-T147 PolarHBondContact O-OG1 3.08Å; T147-G149 PolarHBondContact O-N 3.46Å; T147-N150 WeakPolarHBondContact CB-ND2 3.49Å; T147-N150 HydrophobicContact CG2-CB 4.46Å; T147-N150 WeakPolarHBondContact CG2-ND2 3.45Å; T147-N150 WeakPolarHBondContact O-CB 3.4Å; T147-N150 PolarHBondContact O-N 3.01Å; T147-Q152 PolarHBondContact O-NE2 2.99Å
148Y98.4Very high92.3Very high58 Ų5869.5 Ų69.523%0.22737%0.367CS..THydrogen-bonded Turntrans-61.5132.8-178.9-168.2-88.5000111.2P91 L116 Y119 G146 N150P91-Y148 HydrophobicContact CB-CD2 3.6Å; P91-Y148 HydrophobicContact CB-CE2 4.11Å; P91-Y148 HydrophobicContact CB-CG 4.48Å; P91-Y148 HydrophobicContact CG-CD2 4.3Å; L116-Y148 HydrophobicContact CB-CD1 3.89Å; L116-Y148 HydrophobicContact CB-CE1 3.91Å; L116-Y148 HydrophobicContact CB-CG 4.46Å; L116-Y148 HydrophobicContact CD1-CD1 3.79Å; L116-Y148 HydrophobicContact CD1-CG 3.78Å; L116-Y148 HydrophobicContact CG-CD1 4.39Å; Y119-Y148 AromaticContact CD1-CD2 3.73Å; Y119-Y148 HydrophobicContact CD1-CD2 3.73Å; Y119-Y148 HydrophobicContact CD1-CG 4.22Å; Y119-Y148 HydrophobicContact CD2-CD2 4.16Å; Y119-Y148 HydrophobicContact CE1-CD2 4.39Å; Y119-Y148 AromaticContact CG-CD2 3.59Å; Y119-Y148 HydrophobicContact CG-CD2 3.59Å; Y119-Y148 HydrophobicContact CG-CE2 4.21Å; Y119-Y148 HydrophobicContact CG-CG 4.49Å; G146-Y148 PolarHBondContact O-N 3.2Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.46Å
149G96.6Very high94.3Very high62 Ų6267 Ų6764%0.63936%0.359SS*.THydrogen-bonded Turntrans85.1-11.9-177.800000115.2T147T147-G149 PolarHBondContact O-N 3.46Å
150N97.5Very high96.1Very high61 Ų6166 Ų6633%0.32636%0.361SS..SBendtrans-80.6164.6173.1-73.71.6000111.6V24 T147 Y148 Q152V24-N150 PolarHBondContact O-ND2 2.93Å; V24-N150 VanDerWaalsContact O-ND2 3.08Å; T147-N150 WeakPolarHBondContact CB-ND2 3.49Å; T147-N150 HydrophobicContact CG2-CB 4.46Å; T147-N150 WeakPolarHBondContact CG2-ND2 3.45Å; T147-N150 WeakPolarHBondContact O-CB 3.4Å; T147-N150 PolarHBondContact O-N 3.01Å; Y148-N150 VanDerWaalsContact C-N 3.29Å; Y148-N150 PolarHBondContact O-N 3.46Å; N150-Q152 PolarHBondContact O-N 2.95Å; N150-Q152 PolarHBondContact O-NE2 3.34Å
151R98Very high97.3Very high206 Ų20665.6 Ų65.678%0.77735%0.349SS*.  trans-67.5126.6164.6178178.4-85.2-157.9-4.8108.8V153R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 HydrophobicContact CB-CG2 4.47Å; R151-V153 HydrophobicContact CG-CG2 3.78Å; R151-V153 PolarHBondContact O-N 2.86Å
152Q98.6Very high97.8Very high35 Ų3569.5 Ų69.516%0.16436%0.364CS..  trans-84.774.4178.8-51.8-54.7-50.600109.9L22 V90 T147 N150 L154L22-Q152 HydrophobicContact CD1-CB 4.08Å; V90-Q152 HydrophobicContact CG1-CB 3.84Å; V90-Q152 HydrophobicContact CG1-CG 3.73Å; T147-Q152 PolarHBondContact O-NE2 2.99Å; N150-Q152 PolarHBondContact O-N 2.95Å; N150-Q152 PolarHBondContact O-NE2 3.34Å; Q152-L154 PolarHBondContact O-N 3.45Å; Q152-L154 VanDerWaalsContact O-N 3.15Å
153V98.7Very high98.1Very high54 Ų5470 Ų7033%0.32737%0.37SS..  trans-72.1106.4176.4-173.80000108.2Q23 W35 R151Q23-V153 HydrophobicContact CB-CB 3.85Å; Q23-V153 HydrophobicContact CB-CG2 4.42Å; Q23-V153 PolarHBondContact N-O 3.4Å; W35-V153 HydrophobicContact CH2-CB 4.11Å; W35-V153 HydrophobicContact CH2-CG1 3.69Å; W35-V153 HydrophobicContact CZ3-CB 4.24Å; W35-V153 HydrophobicContact CZ3-CG1 4.05Å; W35-V153 WeakPolarHBondContact CZ3-O 3.3Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 HydrophobicContact CB-CG2 4.47Å; R151-V153 HydrophobicContact CG-CG2 3.78Å; R151-V153 PolarHBondContact O-N 2.86Å
154L98.8Very high98.2Very high54 Ų5472.1 Ų72.128%0.28338%0.379SS..EExtended strand (participates in β ladder)trans-121.8133.2-169179.364.4000111.2R21 L22 Y45 L88 Q152R21-L154 WeakPolarHBondContact O-CA 3.5Å; R21-L154 WeakPolarHBondContact O-CD1 3.48Å; L22-L154 HydrophobicContact CB-CD1 4.22Å; L22-L154 HydrophobicContact CD1-CB 4.13Å; L22-L154 HydrophobicContact CD1-CD1 4.22Å; Y45-L154 HydrophobicContact CE1-CD2 3.88Å; Y45-L154 WeakPolarHBondContact OH-CD2 3.28Å; L88-L154 HydrophobicContact CD2-CD1 3.88Å; Q152-L154 PolarHBondContact O-N 3.45Å; Q152-L154 VanDerWaalsContact O-N 3.15Å
155K98.8Very high98.2Very high137 Ų13773.4 Ų73.460%0.59639%0.389SS*.EExtended strand (participates in β ladder)trans-110.9132.8162.7-177.9-178.9178.7-173.50108.3A20 R21A20-K155 WeakPolarHBondContact CA-O 3.23Å; R21-K155 HydrophobicContact CB-CB 4.41Å; R21-K155 PolarHBondContact N-O 3.1Å; R21-K155 PolarHBondContact O-N 2.8Å
156L98.6Very high98.1Very high55 Ų5572.1 Ų72.129%0.28838%0.383SS..EExtended strand (participates in β ladder)trans-130.8129.3-178.2-163.465.3000109.8C17 A20 V43 T158C17-L156 HydrophobicContact CB-CD1 3.54Å; C17-L156 HydrophobicContact CB-CG 4.32Å; A20-L156 HydrophobicContact CB-CD1 3.56Å; V43-L156 HydrophobicContact CG2-CD1 3.59Å; L156-T158 HydrophobicContact CD2-CG2 3.82Å; L156-T158 HydrophobicContact CG-CG2 3.68Å
157D98.7Very high98.1Very high85 Ų8576.9 Ų76.946%0.45541%0.406SS..EExtended strand (participates in β ladder)trans-114.7132.4170.2-174.619000109.4C17 L18 Y19C17-D157 CarbonylContact C-O 3.55Å; C17-D157 WeakPolarHBondContact CA-O 3.42Å; C17-D157 WeakPolarHBondContact CB-O 3.38Å; L18-D157 PolarHBondContact N-O 3.22Å; Y19-D157 PolarHBondContact N-O 2.68Å; Y19-D157 PolarHBondContact O-N 3.34Å
158T98.4Very high97.9Very high44 Ų4475.8 Ų75.827%0.2740%0.396SS..  trans-145.6142.3-170.275.90000110.7Q16 C17 L156 G160 P161Q16-T158 VanDerWaalsContact O-CG2 3.31Å; Q16-T158 WeakPolarHBondContact O-CG2 3.46Å; C17-T158 HydrophobicContact CB-CG2 4.48Å; L156-T158 HydrophobicContact CD2-CG2 3.82Å; L156-T158 HydrophobicContact CG-CG2 3.68Å; T158-G160 PolarHBondContact O-N 2.85Å; T158-G160 PolarHBondContact OG1-N 2.64Å; T158-P161 HydrophobicContact CG2-CB 4.21Å
159N96.6Very high97.9Very high135 Ų13576.7 Ų76.772%0.72241%0.405SS*.SBendtrans-89.250.7161.4-170.431.1000110.5L18L18-N159 HydrophobicContact CD1-CB 4.13Å; L18-N159 HydrophobicContact CD2-CB 4.26Å; L18-N159 HydrophobicContact CG-CB 4.31Å
160G96.8Very high98Very high43 Ų4377.5 Ų77.544%0.44339%0.393SS..  trans91.2117.2-166.400000111.5T158 Y162T158-G160 PolarHBondContact O-N 2.85Å; T158-G160 PolarHBondContact OG1-N 2.64Å; G160-Y162 PolarHBondContact O-N 3.08Å
161P97.3Very high98Very high47 Ų4778.4 Ų78.431%0.30540%0.396SS..  trans-72.8-13.5-173.227.9-35.6000113.9Q15 Q16 T158 T163Q15-P161 CarbonylContact C-O 3.45Å; Q15-P161 VanDerWaalsContact CA-O 3.25Å; Q15-P161 WeakPolarHBondContact CA-O 3.47Å; Q15-P161 HydrophobicContact CB-CB 4.22Å; Q15-P161 HydrophobicContact CG-CB 4.26Å; Q16-P161 PolarHBondContact N-O 3.18Å; T158-P161 HydrophobicContact CG2-CB 4.21Å; P161-T163 VanDerWaalsContact C-N 3.28Å; P161-T163 PolarHBondContact O-N 3.49Å
162Y97.9Very high98Very high101 Ų10170.9 Ų70.940%0.39637%0.374SS..  trans41.254.9-177.8-160.1-127.1000112.7L69 Y77 G160 H164L69-Y162 HydrophobicContact CD2-CD1 4.49Å; L69-Y162 HydrophobicContact CD2-CE1 4.04Å; Y77-Y162 HydrophobicContact CD1-CE1 4.22Å; Y77-Y162 HydrophobicContact CE1-CD1 4.02Å; Y77-Y162 AromaticContact CE1-CE1 3.73Å; Y77-Y162 HydrophobicContact CE1-CE1 3.73Å; G160-Y162 PolarHBondContact O-N 3.08Å; Y162-H164 AromaticContact CD1-CE1 3.47Å; Y162-H164 VanDerWaalsContact CD1-CE1 3.47Å; Y162-H164 WeakPolarHBondContact CD1-CE1 3.44Å; Y162-H164 AromaticContact CD1-ND1 3.99Å; Y162-H164 AromaticContact CE1-CE1 3.34Å; Y162-H164 WeakPolarHBondContact CE1-CE1 3.47Å; Y162-H164 AromaticContact CE2-CE1 3.87Å; Y162-H164 AromaticContact CG-CE1 3.8Å; Y162-H164 AromaticContact CZ-CE1 3.54Å; Y162-H164 PolarHBondContact O-CE1 3.42Å; Y162-H164 PolarHBondContact O-ND1 3.45Å
163T98.7Very high98Very high75 Ų7573.1 Ų73.146%0.4639%0.387SS..  trans-68.4129.6-167.5-510000112.5V13 L14 Q15 P161V13-T163 HydrophobicContact CG1-CG2 3.56Å; L14-T163 VanDerWaalsContact O-CA 3.27Å; L14-T163 WeakPolarHBondContact O-CA 3.49Å; Q15-T163 HydrophobicContact CG-CG2 4Å; Q15-T163 PolarHBondContact NE2-OG1 2.96Å; P161-T163 VanDerWaalsContact C-N 3.28Å; P161-T163 PolarHBondContact O-N 3.49Å
164H98.7Very high97.9Very high60 Ų6074.4 Ų74.428%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-126.9142.8175.6-70.270.4000111.2V13 L14 L69 Y162V13-H164 CarbonylContact C-O 3.51Å; V13-H164 VanDerWaalsContact CA-O 3.28Å; V13-H164 WeakPolarHBondContact CA-O 3.28Å; L14-H164 HydrophobicContact CB-CB 4.48Å; L14-H164 PolarHBondContact N-O 2.96Å; L14-H164 PolarHBondContact O-N 3.24Å; L69-H164 HydrophobicContact CD1-CB 4.14Å; Y162-H164 AromaticContact CD1-CE1 3.47Å; Y162-H164 VanDerWaalsContact CD1-CE1 3.47Å; Y162-H164 WeakPolarHBondContact CD1-CE1 3.44Å; Y162-H164 AromaticContact CD1-ND1 3.99Å; Y162-H164 AromaticContact CE1-CE1 3.34Å; Y162-H164 WeakPolarHBondContact CE1-CE1 3.47Å; Y162-H164 AromaticContact CE2-CE1 3.87Å; Y162-H164 AromaticContact CG-CE1 3.8Å; Y162-H164 AromaticContact CZ-CE1 3.54Å; Y162-H164 PolarHBondContact O-CE1 3.42Å; Y162-H164 PolarHBondContact O-ND1 3.45Å
165L98.6Very high97.8Very high104 Ų10475.9 Ų75.955%0.54540%0.399SS..EExtended strand (participates in β ladder)trans-112.1135173.6-178.9150.7000109.2R11 T12 V13 E167R11-L165 HydrophobicContact CG-CD1 4.41Å; R11-L165 HydrophobicContact CG-CD2 4.41Å; R11-L165 HydrophobicContact CG-CG 4.26Å; T12-L165 WeakPolarHBondContact O-CA 3.32Å; V13-L165 HydrophobicContact CG2-CB 4.5Å; V13-L165 HydrophobicContact CG2-CD1 4.32Å; V13-L165 HydrophobicContact CG2-CG 4.47Å; L165-E167 HydrophobicContact CD2-CG 3.99Å
166M97.6Very high97.8Very high46 Ų4671.2 Ų71.223%0.22738%0.384CS..EExtended strand (participates in β ladder)trans-131.7148176.5-52.2-17782.900110.6R11 T12 L14 T63 L64 L67 F168R11-M166 WeakPolarHBondContact CA-O 3.04Å; T12-M166 PolarHBondContact N-O 2.89Å; T12-M166 PolarHBondContact O-N 2.99Å; L14-M166 HydrophobicContact CD1-SD 4.06Å; T63-M166 HydrophobicContact CG2-CE 3.59Å; T63-M166 HydrophobicContact CG2-SD 4.34Å; L64-M166 HydrophobicContact CD2-SD 3.84Å; L67-M166 HydrophobicContact CD2-CE 4.01Å; L67-M166 HydrophobicContact CD2-SD 3.75Å; M166-F168 HydrophobicContact CB-CE2 3.79Å; M166-F168 HydrophobicContact CB-CZ 4.19Å; M166-F168 HydrophobicContact SD-CZ 4.48Å
167E97.4Very high97.7Very high100 Ų10072.5 Ų72.547%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-123.6144.1176-59.4-164.2138.300109.4P8 A10 R11 L165P8-E167 HydrophobicContact CB-CB 4.04Å; A10-E167 WeakPolarHBondContact O-CA 3.5Å; R11-E167 HydrophobicContact CG-CG 4.43Å; R11-E167 IonicContact CZ-OE1 3.15Å; R11-E167 IonicContact NE-OE1 2.9Å; R11-E167 PolarHBondContact NE-OE1 2.75Å; R11-E167 IonicContact NH2-OE1 2.63Å; R11-E167 PolarHBondContact NH2-OE1 2.77Å; L165-E167 HydrophobicContact CD2-CG 3.99Å
168F95.9Very high97.6Very high30 Ų3071.4 Ų71.413%0.13239%0.386CS..  trans-124.90-169.9-71.2-87.8000113.6P8 L9 A10 T12 I56 K59 I60 T63 L64 M166P8-F168 CarbonylContact C-O 3.56Å; L9-F168 PolarHBondContact N-O 3.38Å; A10-F168 HydrophobicContact CB-CB 4.24Å; A10-F168 PolarHBondContact N-O 3.27Å; A10-F168 PolarHBondContact O-N 2.97Å; T12-F168 HydrophobicContact CG2-CD2 4.42Å; T12-F168 HydrophobicContact CG2-CE2 3.97Å; I56-F168 HydrophobicContact CD1-CB 4.03Å; I56-F168 HydrophobicContact CG1-CB 3.96Å; K59-F168 HydrophobicContact CD-CD1 4.25Å; K59-F168 HydrophobicContact CG-CD1 4.26Å; K59-F168 PolarHBondContact NZ-OXT 3.05Å; I60-F168 HydrophobicContact CB-CD1 4.41Å; I60-F168 HydrophobicContact CB-CE1 4.31Å; I60-F168 HydrophobicContact CB-CZ 4.39Å; I60-F168 HydrophobicContact CD1-CB 4.46Å; I60-F168 HydrophobicContact CD1-CG 4.39Å; I60-F168 HydrophobicContact CG1-CB 4Å; I60-F168 HydrophobicContact CG1-CD1 3.65Å; I60-F168 HydrophobicContact CG1-CD2 3.8Å; I60-F168 HydrophobicContact CG1-CE1 4.03Å; I60-F168 HydrophobicContact CG1-CE2 4.15Å; I60-F168 HydrophobicContact CG1-CG 3.53Å; I60-F168 HydrophobicContact CG1-CZ 4.26Å; I60-F168 HydrophobicContact CG2-CE2 4.14Å; I60-F168 HydrophobicContact CG2-CZ 4.18Å; T63-F168 HydrophobicContact CG2-CE1 3.96Å; T63-F168 HydrophobicContact CG2-CZ 4.01Å; L64-F168 HydrophobicContact CD2-CE2 4.17Å; L64-F168 HydrophobicContact CD2-CZ 3.84Å; L64-F168 HydrophobicContact CG-CZ 4.5Å; M166-F168 HydrophobicContact CB-CE2 3.79Å; M166-F168 HydrophobicContact CB-CZ 4.19Å; M166-F168 HydrophobicContact SD-CZ 4.48Å

Retrieved 168 of 168 residues in 741.7 ms (Link to these results)

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