A0A060W1L0_ONCMY Loading...

ADP-ribosylation factor-like protein 4C

AlphaFold DB (B5X4G7), UniProt , Accession A0A060W1L0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520179, Length 192 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
1M36.2Very low46.6Very low244 Ų244122.3 Ų122.3100%1.20270%0.701SS**  0107.60-72.2175.7-178.700107.4
2G37.9Very low48.9Very low76 Ų76122.8 Ų122.878%0.78469%0.693SS**  trans-78.2121-16700000112.6S4G2-S4 PolarHBondContact O-N 3.08Å; G2-S4 VanDerWaalsContact O-N 3.08Å
3N38.7Very low52.1Low148 Ų148116.1 Ų116.179%0.79166%0.658SS**  trans-76.193.4164-83.8-13000108.4F5N3-F5 PolarHBondContact O-N 3Å
4S45Very low55.2Low109 Ų109108.1 Ų108.176%0.76261%0.613SS**  trans-67.297.3172-166.60000108.9G2 S6G2-S4 PolarHBondContact O-N 3.08Å; G2-S4 VanDerWaalsContact O-N 3.08Å; S4-S6 PolarHBondContact O-N 2.86Å
5F53.1Low58Low185 Ų185106.7 Ų106.781%0.81160%0.599SS**  trans-65.587.6162.4-72.8-85000108N3 N7N3-F5 PolarHBondContact O-N 3Å; F5-N7 PolarHBondContact O-N 3.45Å
6S46.9Very low60.6Low58 Ų58100.1 Ų100.141%0.40656%0.562SS.*  trans-57.4115.9-17359.60000113.8S4 I8 K184S4-S6 PolarHBondContact O-N 2.86Å; S6-I8 PolarHBondContact O-N 3.24Å; S6-K184 WeakPolarHBondContact OG-CE 3.46Å
7N46.5Very low62.8Low146 Ų14694.2 Ų94.278%0.78153%0.529SS*.  trans32.260138.1-66.3-19.7000117.1F5F5-N7 PolarHBondContact O-N 3.45Å
8I54.1Low64.8Low37 Ų3789 Ų8919%0.1950%0.5CS..  trans-76.3118139.5-69.3171.3000103.4S6 A10 Y176 V180S6-I8 PolarHBondContact O-N 3.24Å; I8-A10 PolarHBondContact O-N 3.47Å; I8-Y176 HydrophobicContact CD1-CE2 4.31Å; I8-V180 HydrophobicContact CD1-CB 4.16Å; I8-V180 HydrophobicContact CD1-CG1 4.2Å; I8-V180 HydrophobicContact CD1-CG2 3.39Å
9S52.1Low66.6Low63 Ų6384.3 Ų84.344%0.44147%0.473SS..  trans-44.4114.8170.1163.80000107.9F11 Q12S9-F11 PolarHBondContact O-N 3.46Å; S9-F11 VanDerWaalsContact OG-CB 3.31Å; S9-F11 WeakPolarHBondContact OG-CB 3.43Å; S9-F11 WeakPolarHBondContact OG-CD2 3.49Å; S9-F11 PolarHBondContact OG-N 3.26Å; S9-Q12 PolarHBondContact O-N 3.01Å; S9-Q12 VanDerWaalsContact O-N 3.09Å
10A51.5Low68.2Low83 Ų8380.1 Ų80.169%0.68645%0.45SS*.THydrogen-bonded Turntrans-57.7-4.2174.400000112.2I8I8-A10 PolarHBondContact O-N 3.47Å
11F50.8Low69.6Low196 Ų19676.8 Ų76.886%0.8643%0.431SS*.THydrogen-bonded Turntrans-94.5-10.4179.5-54.7-81000114.7S9S9-F11 PolarHBondContact O-N 3.46Å; S9-F11 VanDerWaalsContact OG-CB 3.31Å; S9-F11 WeakPolarHBondContact OG-CB 3.43Å; S9-F11 WeakPolarHBondContact OG-CD2 3.49Å; S9-F11 PolarHBondContact OG-N 3.26Å
12Q74.3Confident72.6Confident129 Ų12967.1 Ų67.160%0.60338%0.384SS*.SBendtrans-101.3105.1-179.4-153.8174.47.700111.6S9 L14S9-Q12 PolarHBondContact O-N 3.01Å; S9-Q12 VanDerWaalsContact O-N 3.09Å; Q12-L14 PolarHBondContact O-N 3.48Å
13S90.4Very high75.4Confident35 Ų3567.3 Ų67.325%0.24537%0.374CS..  trans-57.5133174.8-170.50000110.7S63 H65S13-S63 CarbonylContact C-O 3.54Å; S13-S63 VanDerWaalsContact CA-O 3.23Å; S13-S63 WeakPolarHBondContact CA-O 3.42Å; S13-S63 PolarHBondContact OG-O 3.29Å; S13-H65 PolarHBondContact OG-N 2.96Å
14L95.9Very high78.3Confident4 Ų460.4 Ų60.42%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-73.5138.7172.9-59.5-176.7000110.1Q12 I16 I62 S63 C64 H65 D87 Y176 I179 R183Q12-L14 PolarHBondContact O-N 3.48Å; L14-I16 HydrophobicContact CB-CD1 4.18Å; L14-I16 HydrophobicContact CB-CG1 4.38Å; L14-I62 HydrophobicContact CD1-CG2 3.66Å; L14-I62 HydrophobicContact CG-CG2 3.82Å; L14-S63 PolarHBondContact N-O 2.95Å; L14-C64 CarbonylContact O-C 3.6Å; L14-C64 WeakPolarHBondContact O-CA 3.48Å; L14-H65 PolarHBondContact O-N 3.46Å; L14-D87 WeakPolarHBondContact CA-OD2 3.28Å; L14-D87 HydrophobicContact CB-CB 4.48Å; L14-D87 HydrophobicContact CD2-CB 4.45Å; L14-Y176 HydrophobicContact CD1-CD2 3.93Å; L14-Y176 HydrophobicContact CD1-CE2 4.39Å; L14-I179 HydrophobicContact CD1-CD1 4.16Å; L14-I179 HydrophobicContact CD2-CG2 4.18Å; L14-R183 VanDerWaalsContact CD2-CZ 3.49Å; L14-R183 VanDerWaalsContact CD2-NH1 3.34Å
15H97.3Very high80.8Confident88 Ų8855.8 Ų55.841%0.40731%0.306SS..EExtended strand (participates in β ladder)trans-98.5112.2175.4-71.4-164.9000109.5D87H15-D87 PolarHBondContact N-OD2 3.05Å; H15-D87 PolarHBondContact O-N 2.83Å
16I98.4Very high83Confident1 Ų147.5 Ų47.51%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-119.4132.2-175.6-51.6-60.2000109.1L14 C64 H65 F66 W67 D87 G88 I90 L175 I179L14-I16 HydrophobicContact CB-CD1 4.18Å; L14-I16 HydrophobicContact CB-CG1 4.38Å; I16-C64 HydrophobicContact CG1-CB 4.42Å; I16-H65 PolarHBondContact N-O 2.9Å; I16-F66 HydrophobicContact CB-CD1 3.9Å; I16-F66 HydrophobicContact CB-CE1 3.96Å; I16-F66 HydrophobicContact CG1-CE1 4.4Å; I16-F66 HydrophobicContact CG2-CD1 3.89Å; I16-F66 HydrophobicContact CG2-CE1 3.75Å; I16-F66 CarbonylContact O-C 3.53Å; I16-F66 VanDerWaalsContact O-CA 3.29Å; I16-F66 WeakPolarHBondContact O-CA 3.49Å; I16-W67 PolarHBondContact O-N 3.25Å; I16-D87 HydrophobicContact CD1-CB 4.36Å; I16-G88 WeakPolarHBondContact CA-O 3.49Å; I16-I90 HydrophobicContact CG2-CD1 3.81Å; I16-I90 HydrophobicContact CG2-CG1 3.79Å; I16-L175 HydrophobicContact CD1-CD2 4.16Å; I16-L175 HydrophobicContact CG2-CD2 4.17Å; I16-I179 HydrophobicContact CD1-CD1 3.72Å
17V98.6Very high85.4Confident0 Ų045.5 Ų45.50%026%0.256CS..EExtended strand (participates in β ladder)trans-105.2140.217167.50000110L19 W67 V69 T86 G88 I89 I90V17-L19 HydrophobicContact CG1-CD1 4.34Å; V17-L19 HydrophobicContact CG1-CG 4.29Å; V17-L19 HydrophobicContact CG2-CD2 3.72Å; V17-L19 HydrophobicContact CG2-CG 3.95Å; V17-W67 HydrophobicContact CG2-CB 4.24Å; V17-V69 HydrophobicContact CG2-CG2 3.87Å; V17-T86 HydrophobicContact CB-CG2 3.92Å; V17-T86 HydrophobicContact CG1-CG2 3.9Å; V17-G88 PolarHBondContact N-O 2.82Å; V17-I89 HydrophobicContact CG1-CB 4.25Å; V17-I89 HydrophobicContact CG1-CG1 3.78Å; V17-I89 HydrophobicContact CG1-CG2 4.24Å; V17-I90 PolarHBondContact O-N 2.92Å
18M98.6Very high87.9Confident0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-109.1118.1172.9-67.3178.658.200109.5K26 V29 L30 F66 W67 V69 I90 V92M18-K26 HydrophobicContact CE-CB 4.13Å; M18-K26 WeakPolarHBondContact CE-O 3.49Å; M18-V29 HydrophobicContact CE-CB 3.73Å; M18-V29 HydrophobicContact CE-CG1 3.63Å; M18-L30 HydrophobicContact CE-CB 4.28Å; M18-L30 HydrophobicContact SD-CB 4Å; M18-L30 HydrophobicContact SD-CD1 4.11Å; M18-F66 HydrophobicContact CG-CD1 4.13Å; M18-F66 HydrophobicContact SD-CD1 3.86Å; M18-F66 HydrophobicContact SD-CE1 4.42Å; M18-W67 PolarHBondContact N-O 3.04Å; M18-V69 PolarHBondContact O-N 3.5Å; M18-I90 CarbonylContact C-O 3.56Å; M18-I90 WeakPolarHBondContact CA-O 3.34Å; M18-I90 HydrophobicContact CG-CB 3.97Å; M18-I90 HydrophobicContact CG-CD1 4.25Å; M18-I90 HydrophobicContact CG-CG2 4.34Å; M18-V92 HydrophobicContact CE-CG2 4.19Å
19L98.8Very high90Very high0 Ų037.8 Ų37.80%022%0.215CC..EExtended strand (participates in β ladder)trans-124.7171.9-178.8-57.2179.5000110V17 K26 V69 W79 I89 I90 Y91 V92 V111V17-L19 HydrophobicContact CG1-CD1 4.34Å; V17-L19 HydrophobicContact CG1-CG 4.29Å; V17-L19 HydrophobicContact CG2-CD2 3.72Å; V17-L19 HydrophobicContact CG2-CG 3.95Å; L19-K26 WeakPolarHBondContact O-CD 3.45Å; L19-V69 HydrophobicContact CD2-CB 3.93Å; L19-V69 HydrophobicContact CD2-CG2 4Å; L19-W79 HydrophobicContact CB-CD2 4.47Å; L19-W79 HydrophobicContact CB-CE3 4.47Å; L19-W79 HydrophobicContact CD1-CB 4.35Å; L19-W79 HydrophobicContact CD1-CE3 4.46Å; L19-W79 HydrophobicContact CD2-CB 4.1Å; L19-W79 HydrophobicContact CD2-CD2 3.97Å; L19-W79 HydrophobicContact CD2-CG 3.71Å; L19-I89 HydrophobicContact CD1-CG2 4.25Å; L19-I90 PolarHBondContact N-O 2.91Å; L19-Y91 HydrophobicContact CB-CD2 3.96Å; L19-Y91 HydrophobicContact CB-CE2 4.36Å; L19-Y91 CarbonylContact O-C 3.43Å; L19-Y91 WeakPolarHBondContact O-CA 3.44Å; L19-V92 PolarHBondContact O-N 2.91Å; L19-V111 HydrophobicContact CD1-CG1 3.77Å; L19-V111 HydrophobicContact CD1-CG2 4.06Å
20G98.7Very high92.2Very high0 Ų034.8 Ų34.80%019%0.194CC..  trans131.9159.8-174.200000111.5K26 G71 W79G20-K26 WeakPolarHBondContact O-CE 3.42Å; G20-K26 PolarHBondContact O-NZ 3.15Å; G20-G71 WeakPolarHBondContact O-CA 3.5Å; G20-W79 VanDerWaalsContact O-CZ2 3.25Å; G20-W79 WeakPolarHBondContact O-CZ2 3.3Å
21L98.7Very high94.4Very high10 Ų1033.5 Ų33.55%0.05217%0.172CC..  trans-58.9159.9-177.4-52.4-172.6000111.8A24 K26 R100 E103 A104L21-A24 WeakPolarHBondContact O-CB 3.45Å; L21-A24 PolarHBondContact O-N 2.97Å; L21-K26 PolarHBondContact O-NZ 3.42Å; L21-R100 HydrophobicContact CD1-CB 3.86Å; L21-R100 WeakPolarHBondContact CD1-O 3.4Å; L21-E103 HydrophobicContact CD1-CB 4.19Å; L21-E103 HydrophobicContact CD1-CG 4.09Å; L21-E103 HydrophobicContact CD2-CG 4.18Å; L21-A104 HydrophobicContact CD1-CB 3.85Å; L21-A104 HydrophobicContact CG-CB 4.01Å
22D98.1Very high96.6Very high41 Ų4125.2 Ų25.222%0.21914%0.135CC..THydrogen-bonded Turntrans-55.6150.5168.855.5-81.3000110.9A24 G71 Q72 R76 R100D22-A24 PolarHBondContact O-N 3.4Å; D22-G71 PolarHBondContact N-O 3.44Å; D22-Q72 HydrophobicContact CB-CG 4.01Å; D22-R76 IonicContact OD1-NH2 2.89Å; D22-R100 PolarHBondContact O-NH1 2.81Å; D22-R100 PolarHBondContact O-NH2 3.38Å; D22-R100 IonicContact OD1-NH1 2.71Å; D22-R100 IonicContact OD2-NH1 2.96Å; D22-R100 PolarHBondContact OD2-NH1 3.48Å
23S97.8Very high97.6Very high81 Ų8120.2 Ų20.257%0.56611%0.112SC*.THydrogen-bonded Turntrans65.2-1-178.8-48.10000116.2G25 K128S23-G25 PolarHBondContact O-N 3.5Å; S23-K128 VanDerWaalsContact O-CE 3.27Å; S23-K128 WeakPolarHBondContact O-CE 3.39Å; S23-K128 PolarHBondContact O-NZ 3.39Å
24A98.4Very high97.9Very high2 Ų222.4 Ų22.42%0.01712%0.118CC..SBendtrans-65.3-18174.100000114.2L21 D22 V92 N127L21-A24 WeakPolarHBondContact O-CB 3.45Å; L21-A24 PolarHBondContact O-N 2.97Å; D22-A24 PolarHBondContact O-N 3.4Å; A24-V92 HydrophobicContact CB-CB 4.4Å; A24-V92 HydrophobicContact CB-CG1 4.19Å; A24-V92 WeakPolarHBondContact CB-O 3.23Å; A24-V92 WeakPolarHBondContact O-CG1 3.44Å; A24-N127 PolarHBondContact O-ND2 2.8Å
25G98.3Very high97.8Very high12 Ų1226.8 Ų26.812%0.12414%0.137CC..  trans99.222.4176.700000115.5S23 T28 V29S23-G25 PolarHBondContact O-N 3.5Å; G25-T28 WeakPolarHBondContact O-CB 3.37Å; G25-T28 PolarHBondContact O-N 3Å; G25-V29 WeakPolarHBondContact O-CG2 3.39Å; G25-V29 PolarHBondContact O-N 3.36Å
26K98.6Very high97.7Very high12 Ų1227.9 Ų27.95%0.05215%0.146CC..Hα-helixtrans-53.4-55.3178.4-62.3-178.6-61.3-67.80113.1M18 L19 G20 L21 T28 V29 L30 D68 V69 V92M18-K26 HydrophobicContact CE-CB 4.13Å; M18-K26 WeakPolarHBondContact CE-O 3.49Å; L19-K26 WeakPolarHBondContact O-CD 3.45Å; G20-K26 WeakPolarHBondContact O-CE 3.42Å; G20-K26 PolarHBondContact O-NZ 3.15Å; L21-K26 PolarHBondContact O-NZ 3.42Å; K26-T28 VanDerWaalsContact C-N 3.26Å; K26-T28 PolarHBondContact O-N 3.35Å; K26-V29 WeakPolarHBondContact O-CB 3.32Å; K26-V29 PolarHBondContact O-N 3.38Å; K26-V29 VanDerWaalsContact O-N 3.11Å; K26-L30 PolarHBondContact O-N 3.16Å; K26-D68 WeakPolarHBondContact CB-OD1 3.41Å; K26-V69 WeakPolarHBondContact CE-O 3.33Å; K26-V92 HydrophobicContact CB-CG2 4.42Å; K26-V92 HydrophobicContact CG-CB 3.78Å; K26-V92 HydrophobicContact CG-CG2 3.79Å
27T98.2Very high97.3Very high16 Ų1634.2 Ų34.210%0.09818%0.175CC..Hα-helixtrans-62.5-35.3179.6-44.20000111.8L30 Y31 T41 T44 D68T27-L30 PolarHBondContact O-N 3.08Å; T27-Y31 HydrophobicContact CG2-CD2 4.06Å; T27-Y31 HydrophobicContact CG2-CE1 4.35Å; T27-Y31 HydrophobicContact CG2-CE2 3.77Å; T27-Y31 HydrophobicContact CG2-CG 4.48Å; T27-Y31 WeakPolarHBondContact O-CB 3.39Å; T27-Y31 PolarHBondContact O-N 2.93Å; T27-T41 HydrophobicContact CG2-CG2 3.66Å; T27-T44 PolarHBondContact OG1-OG1 3.07Å; T27-D68 WeakPolarHBondContact CA-OD2 3.17Å; T27-D68 WeakPolarHBondContact CB-OD2 3.19Å; T27-D68 PolarHBondContact OG1-OD2 3.46Å
28T98.3Very high97Very high19 Ų1939.1 Ų39.112%0.11720%0.196CC..Hα-helixtrans-63.6-43.7174-43.70000111.7G25 K26 R32 F38 A162 I163G25-T28 WeakPolarHBondContact O-CB 3.37Å; G25-T28 PolarHBondContact O-N 3Å; K26-T28 VanDerWaalsContact C-N 3.26Å; K26-T28 PolarHBondContact O-N 3.35Å; T28-R32 VanDerWaalsContact O-CB 3.22Å; T28-R32 WeakPolarHBondContact O-CB 3.25Å; T28-R32 PolarHBondContact O-N 3.34Å; T28-F38 HydrophobicContact CG2-CD2 4.17Å; T28-F38 HydrophobicContact CG2-CE2 4.02Å; T28-A162 HydrophobicContact CG2-CB 3.83Å; T28-I163 HydrophobicContact CG2-CG2 4.24Å
29V98.5Very high96.7Very high2 Ų241.4 Ų41.41%0.01221%0.21CC..Hα-helixtrans-60.3-45.9173.4167.50000110.6M18 G25 K26 R32 L33 V92 I125 A162 L168M18-V29 HydrophobicContact CE-CB 3.73Å; M18-V29 HydrophobicContact CE-CG1 3.63Å; G25-V29 WeakPolarHBondContact O-CG2 3.39Å; G25-V29 PolarHBondContact O-N 3.36Å; K26-V29 WeakPolarHBondContact O-CB 3.32Å; K26-V29 PolarHBondContact O-N 3.38Å; K26-V29 VanDerWaalsContact O-N 3.11Å; V29-R32 PolarHBondContact O-N 3.3Å; V29-L33 HydrophobicContact CG1-CD1 4.19Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.09Å; V29-V92 HydrophobicContact CG2-CG1 4.43Å; V29-I125 HydrophobicContact CG2-CG2 4.43Å; V29-A162 HydrophobicContact CG2-CB 3.62Å; V29-L168 HydrophobicContact CB-CD2 4.49Å; V29-L168 HydrophobicContact CG1-CD2 3.81Å; V29-L168 HydrophobicContact CG2-CD2 4.14Å
30L98.1Very high96.3Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-60.7-49.3179.8-178.661.6000111.7M18 K26 T27 L33 K34 E50 I52 F66 D68M18-L30 HydrophobicContact CE-CB 4.28Å; M18-L30 HydrophobicContact SD-CB 4Å; M18-L30 HydrophobicContact SD-CD1 4.11Å; K26-L30 PolarHBondContact O-N 3.16Å; T27-L30 PolarHBondContact O-N 3.08Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-K34 WeakPolarHBondContact O-CB 3.11Å; L30-K34 PolarHBondContact O-N 2.92Å; L30-E50 HydrophobicContact CD1-CB 4.06Å; L30-E50 HydrophobicContact CD1-CG 4.45Å; L30-E50 HydrophobicContact CD2-CB 4.24Å; L30-E50 HydrophobicContact CD2-CG 3.89Å; L30-E50 HydrophobicContact CG-CB 4.35Å; L30-E50 HydrophobicContact CG-CG 4.19Å; L30-I52 HydrophobicContact CD1-CD1 3.78Å; L30-F66 HydrophobicContact CD1-CB 3.45Å; L30-F66 VanDerWaalsContact CD1-CB 3.45Å; L30-F66 HydrophobicContact CD1-CD1 4.22Å; L30-F66 HydrophobicContact CD1-CD2 4.17Å; L30-F66 HydrophobicContact CD1-CG 3.71Å; L30-D68 HydrophobicContact CD2-CB 3.7Å
31Y97.5Very high96.1Very high55 Ų5550.6 Ų50.622%0.21626%0.262CS..Hα-helixtrans-68.7-35-179.6-73.2-7.7000112.4T27 L33 K34 F35 V39 T41T27-Y31 HydrophobicContact CG2-CD2 4.06Å; T27-Y31 HydrophobicContact CG2-CE1 4.35Å; T27-Y31 HydrophobicContact CG2-CE2 3.77Å; T27-Y31 HydrophobicContact CG2-CG 4.48Å; T27-Y31 WeakPolarHBondContact O-CB 3.39Å; T27-Y31 PolarHBondContact O-N 2.93Å; Y31-L33 PolarHBondContact O-N 3.44Å; Y31-K34 PolarHBondContact O-N 2.93Å; Y31-F35 HydrophobicContact CD1-CD2 4.32Å; Y31-F35 AromaticContact CD1-CE2 3.7Å; Y31-F35 HydrophobicContact CD1-CE2 3.7Å; Y31-F35 HydrophobicContact CE1-CE2 4.17Å; Y31-F35 HydrophobicContact CG-CD2 4.2Å; Y31-F35 AromaticContact CG-CE2 3.92Å; Y31-F35 HydrophobicContact CG-CE2 3.92Å; Y31-F35 WeakPolarHBondContact O-CD2 3.46Å; Y31-F35 PolarHBondContact O-N 2.85Å; Y31-V39 HydrophobicContact CD2-CB 3.81Å; Y31-V39 HydrophobicContact CD2-CG1 3.79Å; Y31-V39 HydrophobicContact CD2-CG2 4.5Å; Y31-V39 HydrophobicContact CE2-CG1 4.13Å; Y31-V39 HydrophobicContact CG-CB 4.46Å; Y31-T41 HydrophobicContact CD2-CG2 3.76Å; Y31-T41 HydrophobicContact CE2-CG2 3.99Å
32R97.1Very high95.7Very high23 Ų2356 Ų569%0.08730%0.295CS..Hα-helixtrans-60.5-46.2171.3-179.156.958.81750.6111.6T28 V29 K34 N36 E37 A162 I163 G165 L168T28-R32 VanDerWaalsContact O-CB 3.22Å; T28-R32 WeakPolarHBondContact O-CB 3.25Å; T28-R32 PolarHBondContact O-N 3.34Å; V29-R32 PolarHBondContact O-N 3.3Å; R32-K34 VanDerWaalsContact C-N 3.28Å; R32-K34 PolarHBondContact O-N 3.35Å; R32-N36 PolarHBondContact NH1-O 3.28Å; R32-N36 VanDerWaalsContact NH1-O 3.16Å; R32-N36 WeakPolarHBondContact O-CA 3.35Å; R32-N36 PolarHBondContact O-N 2.97Å; R32-E37 VanDerWaalsContact NH1-C 3.25Å; R32-E37 VanDerWaalsContact NH1-CA 3.27Å; R32-A162 PolarHBondContact NE-O 2.89Å; R32-I163 PolarHBondContact NH2-O 2.96Å; R32-G165 VanDerWaalsContact CG-CA 3.49Å; R32-L168 HydrophobicContact CB-CD1 3.73Å; R32-L168 HydrophobicContact CG-CD1 3.33Å
33L96Very high95.4Very high23 Ų2358.4 Ų58.412%0.1231%0.312CS..Hα-helixtrans-63.4-34.3176.2-74.1171.5000112.5V29 L30 Y31 I52 F66 L168 M172V29-L33 HydrophobicContact CG1-CD1 4.19Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.09Å; L30-L33 PolarHBondContact O-N 3.23Å; Y31-L33 PolarHBondContact O-N 3.44Å; L33-I52 HydrophobicContact CB-CD1 3.84Å; L33-F66 HydrophobicContact CD1-CE1 4.3Å; L33-F66 HydrophobicContact CD1-CZ 4.06Å; L33-L168 HydrophobicContact CD2-CB 4.06Å; L33-L168 HydrophobicContact CD2-CD1 4.46Å; L33-L168 HydrophobicContact CG-CD1 4.32Å; L33-M172 HydrophobicContact CD1-CG 4.34Å; L33-M172 HydrophobicContact CD1-SD 4.24Å; L33-M172 HydrophobicContact CD2-CG 4.04Å
34K95.9Very high95Very high82 Ų8255.8 Ų55.836%0.35729%0.293SS..Hα-helixtrans-78.9-48.8-175.8179.164.6175.9179.70113L30 Y31 R32 E50 K51 I52L30-K34 WeakPolarHBondContact O-CB 3.11Å; L30-K34 PolarHBondContact O-N 2.92Å; Y31-K34 PolarHBondContact O-N 2.93Å; R32-K34 VanDerWaalsContact C-N 3.28Å; R32-K34 PolarHBondContact O-N 3.35Å; K34-E50 WeakPolarHBondContact CE-OE2 3.43Å; K34-E50 IonicContact NZ-OE2 3.7Å; K34-K51 PolarHBondContact NZ-O 3.42Å; K34-I52 HydrophobicContact CB-CD1 3.85Å; K34-I52 HydrophobicContact CB-CG1 4.16Å; K34-I52 HydrophobicContact CD-CD1 4.38Å; K34-I52 HydrophobicContact CD-CG1 3.75Å
35F94.9Very high94.6Very high96 Ų9663.2 Ų63.242%0.42133%0.331SS..Hα-helixtrans-107.6-12.2-168.2-55.1-61.2000112.9Y31 E37 V39Y31-F35 HydrophobicContact CD1-CD2 4.32Å; Y31-F35 AromaticContact CD1-CE2 3.7Å; Y31-F35 HydrophobicContact CD1-CE2 3.7Å; Y31-F35 HydrophobicContact CE1-CE2 4.17Å; Y31-F35 HydrophobicContact CG-CD2 4.2Å; Y31-F35 AromaticContact CG-CE2 3.92Å; Y31-F35 HydrophobicContact CG-CE2 3.92Å; Y31-F35 WeakPolarHBondContact O-CD2 3.46Å; Y31-F35 PolarHBondContact O-N 2.85Å; F35-E37 HydrophobicContact CB-CB 4.43Å; F35-E37 PolarHBondContact O-N 3.21Å; F35-E37 VanDerWaalsContact O-N 3.17Å; F35-V39 HydrophobicContact CD2-CG2 4.02Å
36N93.7Very high94.3Very high111 Ų11163.5 Ų63.559%0.59433%0.334SS*.SBendtrans57.619.4-170.5-161.843000113.7R32R32-N36 PolarHBondContact NH1-O 3.28Å; R32-N36 VanDerWaalsContact NH1-O 3.16Å; R32-N36 WeakPolarHBondContact O-CA 3.35Å; R32-N36 PolarHBondContact O-N 2.97Å
37E91.2Very high94.1Very high133 Ų13367.3 Ų67.362%0.62135%0.351SS*.SBendtrans-133.3160-175.6-71.9-177.3178.700111.2R32 F35R32-E37 VanDerWaalsContact NH1-C 3.25Å; R32-E37 VanDerWaalsContact NH1-CA 3.27Å; F35-E37 HydrophobicContact CB-CB 4.43Å; F35-E37 PolarHBondContact O-N 3.21Å; F35-E37 VanDerWaalsContact O-N 3.17Å
38F91.7Very high93.9Very high103 Ų10368.4 Ų68.445%0.45236%0.356SS..  trans-81.1125.7174178.8-116.5000108.6T28 N40 I163T28-F38 HydrophobicContact CG2-CD2 4.17Å; T28-F38 HydrophobicContact CG2-CE2 4.02Å; F38-N40 VanDerWaalsContact CE1-OD1 3.23Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.24Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.42Å; F38-I163 HydrophobicContact CD2-CB 4.08Å; F38-I163 HydrophobicContact CD2-CG2 3.9Å; F38-I163 HydrophobicContact CE2-CB 4.36Å; F38-I163 HydrophobicContact CE2-CG2 3.7Å
39V93.1Very high93.8Very high48 Ų4869.9 Ų69.929%0.29137%0.365SS..  trans-120.7127.4174.7-179.50000107.5Y31 F35 T41Y31-V39 HydrophobicContact CD2-CB 3.81Å; Y31-V39 HydrophobicContact CD2-CG1 3.79Å; Y31-V39 HydrophobicContact CD2-CG2 4.5Å; Y31-V39 HydrophobicContact CE2-CG1 4.13Å; Y31-V39 HydrophobicContact CG-CB 4.46Å; F35-V39 HydrophobicContact CD2-CG2 4.02Å; V39-T41 PolarHBondContact O-N 3.03Å
40N90.4Very high93.7Very high138 Ų13871.8 Ų71.874%0.73837%0.374SS*.  trans-63131.3172.2-75.1-52.5000109.6F38F38-N40 VanDerWaalsContact CE1-OD1 3.23Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.24Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.42Å
41T93.1Very high93.7Very high56 Ų5678.9 Ų78.934%0.34441%0.405SS..  trans-118.6145.2-176.657.70000111.2T27 Y31 V39T27-T41 HydrophobicContact CG2-CG2 3.66Å; Y31-T41 HydrophobicContact CD2-CG2 3.76Å; Y31-T41 HydrophobicContact CE2-CG2 3.99Å; V39-T41 PolarHBondContact O-N 3.03Å
42V91.6Very high93.6Very high124 Ų12476.7 Ų76.775%0.75240%0.396SS*.PPolyproline II helixtrans-98.3160.3165.7-63.70000110T44V42-T44 PolarHBondContact O-N 3.4Å
43P92.3Very high93.5Very high90 Ų9082.6 Ų82.658%0.58442%0.423SS*.PPolyproline II helixtrans-54.8125.9175.8-26.134.9000112.3I45P43-I45 PolarHBondContact O-N 3.02Å
44T88.9Confident93.4Very high27 Ų2782 Ų8217%0.16642%0.42CS..PPolyproline II helixtrans-65.4119.8-179.6-47.70000111.3T27 V42 L75T27-T44 PolarHBondContact OG1-OG1 3.07Å; V42-T44 PolarHBondContact O-N 3.4Å; T44-L75 WeakPolarHBondContact O-CD1 3.47Å
45I88.4Confident93.1Very high158 Ų15881.4 Ų81.481%0.8143%0.426SS*.SBendtrans-91.899.2172.8-54.6176.1000107.5P43P43-I45 PolarHBondContact O-N 3.02Å
46G91.8Very high92.8Very high17 Ų1780.4 Ų80.418%0.17543%0.425CS..SBendtrans92.6-103.7-177.300000112.4G70G46-G70 PolarHBondContact O-N 3.14Å
47F94.6Very high92.5Very high93 Ų9377.3 Ų77.341%0.40842%0.419SS..EExtended strand (participates in β ladder)trans-152.4162.2-177.571.2-81.4000112.7T49 W67 D68 Y82F47-T49 HydrophobicContact CD2-CG2 3.81Å; F47-T49 HydrophobicContact CE2-CG2 3.84Å; F47-W67 AromaticContact CD2-CE3 3.79Å; F47-W67 HydrophobicContact CD2-CE3 3.79Å; F47-W67 AromaticContact CD2-CZ3 3.79Å; F47-W67 HydrophobicContact CD2-CZ3 3.79Å; F47-W67 HydrophobicContact CE2-CE3 4.03Å; F47-W67 AromaticContact CE2-CZ3 3.54Å; F47-W67 HydrophobicContact CE2-CZ3 3.54Å; F47-W67 HydrophobicContact CZ-CZ3 4.25Å; F47-D68 CarbonylContact C-O 3.5Å; F47-D68 WeakPolarHBondContact CA-O 3.22Å; F47-D68 WeakPolarHBondContact CB-O 3.28Å; F47-Y82 HydrophobicContact CB-CE1 4.38Å; F47-Y82 HydrophobicContact CD1-CE1 4.04Å; F47-Y82 AromaticContact CD1-CZ 3.61Å; F47-Y82 WeakPolarHBondContact CD1-OH 3.2Å; F47-Y82 HydrophobicContact CD2-CE1 4.26Å; F47-Y82 HydrophobicContact CE1-CE1 4.39Å; F47-Y82 WeakPolarHBondContact CE1-OH 3.46Å; F47-Y82 AromaticContact CG-CE1 3.96Å; F47-Y82 HydrophobicContact CG-CE1 3.96Å; F47-Y82 AromaticContact CG-CZ 3.91Å
48N94.7Very high92.4Very high38 Ų3875.1 Ų75.120%0.20342%0.415CS..EExtended strand (participates in β ladder)trans-127.2149.4169.6-177.231.2000110.1D68N48-D68 HydrophobicContact CB-CB 4.36Å; N48-D68 PolarHBondContact N-O 3.32Å; N48-D68 PolarHBondContact O-N 3Å
49T96.3Very high92.2Very high51 Ų5170.2 Ų70.231%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-128.8135.9175.262.30000112.6F47 F66 W67F47-T49 HydrophobicContact CD2-CG2 3.81Å; F47-T49 HydrophobicContact CE2-CG2 3.84Å; T49-F66 VanDerWaalsContact CA-O 3.24Å; T49-F66 WeakPolarHBondContact CA-O 3.45Å; T49-W67 HydrophobicContact CG2-CD2 3.54Å; T49-W67 HydrophobicContact CG2-CE3 3.36Å; T49-W67 HydrophobicContact CG2-CG 4.17Å; T49-W67 HydrophobicContact CG2-CH2 4.02Å; T49-W67 HydrophobicContact CG2-CZ2 4.17Å; T49-W67 HydrophobicContact CG2-CZ3 3.61Å
50E97.4Very high92.1Very high42 Ų4274.9 Ų74.920%0.19641%0.41CS..EExtended strand (participates in β ladder)trans-138.7139.4179.5-73.2-64.9165.900111L30 K34 I52 F66L30-E50 HydrophobicContact CD1-CB 4.06Å; L30-E50 HydrophobicContact CD1-CG 4.45Å; L30-E50 HydrophobicContact CD2-CB 4.24Å; L30-E50 HydrophobicContact CD2-CG 3.89Å; L30-E50 HydrophobicContact CG-CB 4.35Å; L30-E50 HydrophobicContact CG-CG 4.19Å; K34-E50 WeakPolarHBondContact CE-OE2 3.43Å; K34-E50 IonicContact NZ-OE2 3.7Å; E50-I52 HydrophobicContact CB-CD1 4.46Å; E50-I52 HydrophobicContact CB-CG1 4.32Å; E50-F66 PolarHBondContact N-O 3.29Å; E50-F66 VanDerWaalsContact N-O 3.11Å; E50-F66 PolarHBondContact O-N 3.45Å
51K96.7Very high92Very high149 Ų14969.9 Ų69.965%0.64839%0.39SS*.EExtended strand (participates in β ladder)trans-98.5121.3168.2-67.4-180-175.9174.20108.9K34 C64 H65K34-K51 PolarHBondContact NZ-O 3.42Å; K51-C64 WeakPolarHBondContact CA-O 3.31Å; K51-H65 HydrophobicContact CG-CB 4.48Å
52I95.9Very high92Very high9 Ų968.3 Ų68.35%0.04638%0.38CS..EExtended strand (participates in β ladder)trans-126.4128.3-176.9-57.8175000108.3L30 L33 K34 E50 L54 C64 F66L30-I52 HydrophobicContact CD1-CD1 3.78Å; L33-I52 HydrophobicContact CB-CD1 3.84Å; K34-I52 HydrophobicContact CB-CD1 3.85Å; K34-I52 HydrophobicContact CB-CG1 4.16Å; K34-I52 HydrophobicContact CD-CD1 4.38Å; K34-I52 HydrophobicContact CD-CG1 3.75Å; E50-I52 HydrophobicContact CB-CD1 4.46Å; E50-I52 HydrophobicContact CB-CG1 4.32Å; I52-L54 HydrophobicContact CG2-CD2 4.36Å; I52-C64 PolarHBondContact N-O 2.92Å; I52-C64 PolarHBondContact O-N 2.91Å; I52-F66 HydrophobicContact CB-CD2 4.19Å; I52-F66 HydrophobicContact CB-CE2 3.98Å; I52-F66 HydrophobicContact CD1-CD2 3.71Å; I52-F66 HydrophobicContact CD1-CE2 3.83Å; I52-F66 HydrophobicContact CG1-CD2 4.07Å; I52-F66 HydrophobicContact CG1-CE2 4.25Å
53K95.3Very high92.2Very high146 Ų14664.9 Ų64.964%0.63536%0.361SS*.EExtended strand (participates in β ladder)trans-95.1116.2167.8-173175.5-177.5177.60107.8S55 G61 I62K53-S55 PolarHBondContact O-N 3.49Å; K53-G61 WeakPolarHBondContact CE-O 3.49Å; K53-I62 WeakPolarHBondContact CA-O 3.35Å
54L93.2Very high92.4Very high11 Ų1160.7 Ų60.76%0.05833%0.334CS..  trans-65.4129.6-178.6-60.3177.6000109.6I52 A59 K60 G61 I62 M172I52-L54 HydrophobicContact CG2-CD2 4.36Å; L54-A59 WeakPolarHBondContact CB-O 3.49Å; L54-A59 HydrophobicContact CD1-CB 3.51Å; L54-K60 WeakPolarHBondContact O-CA 3.35Å; L54-G61 PolarHBondContact O-N 3.19Å; L54-I62 PolarHBondContact N-O 3.38Å; L54-M172 HydrophobicContact CD1-CB 4.37Å; L54-M172 HydrophobicContact CD1-CE 4.08Å; L54-M172 HydrophobicContact CD2-CE 4.45Å; L54-M172 HydrophobicContact CD2-CG 4.44Å
55S90.1Very high92.8Very high69 Ų6961 Ų6148%0.48333%0.334SS..  trans-98.3-19.7-173.649.40000113.8K53 K60K53-S55 PolarHBondContact O-N 3.49Å; S55-K60 VanDerWaalsContact O-CD 3.25Å; S55-K60 WeakPolarHBondContact O-CD 3.21Å; S55-K60 WeakPolarHBondContact O-CE 3.24Å; S55-K60 WeakPolarHBondContact O-CG 3.47Å
56N87.6Confident93.2Very high75 Ų7553.5 Ų53.540%0.40130%0.295SS..SBendtrans-126.4164.1-169-63.4-19.1000111.3K60 H169N56-K60 PolarHBondContact O-N 3.5Å; N56-H169 HydrophobicContact CB-CB 4.5Å; N56-H169 PolarHBondContact ND2-CE1 3.24Å; N56-H169 VanDerWaalsContact ND2-CE1 3.32Å; N56-H169 PolarHBondContact ND2-NE2 2.9Å
57G87.9Confident93.5Very high46 Ų4656 Ų5647%0.47430%0.299SS..SBendtrans72-169.2173.700000115A59 K60 D173G57-A59 PolarHBondContact O-N 3.28Å; G57-K60 WeakPolarHBondContact O-CB 3.48Å; G57-K60 PolarHBondContact O-N 3.47Å; G57-D173 WeakPolarHBondContact CA-OD1 3.27Å; G57-D173 WeakPolarHBondContact CA-OD2 3.25Å
58T88.8Confident93.7Very high87 Ų8751.5 Ų51.553%0.53428%0.28SS..THydrogen-bonded Turntrans-69.3-23176.662.30000112.7K60 D173T58-K60 PolarHBondContact O-N 3.42Å; T58-D173 VanDerWaalsContact N-CG 3.26Å; T58-D173 PolarHBondContact N-OD1 2.93Å; T58-D173 PolarHBondContact N-OD2 3.23Å; T58-D173 PolarHBondContact OG1-OD1 3.09Å; T58-D173 PolarHBondContact OG1-OD2 3.31Å
59A87.9Confident93.8Very high0 Ų049.7 Ų49.70%027%0.27CS..THydrogen-bonded Turntrans-82.84.6174.300000113.3L54 G57 G61 I62 D173 Y176L54-A59 WeakPolarHBondContact CB-O 3.49Å; L54-A59 HydrophobicContact CD1-CB 3.51Å; G57-A59 PolarHBondContact O-N 3.28Å; A59-G61 PolarHBondContact O-N 2.9Å; A59-I62 VanDerWaalsContact O-CB 3.24Å; A59-I62 WeakPolarHBondContact O-CB 3.41Å; A59-I62 WeakPolarHBondContact O-CG1 3.48Å; A59-I62 PolarHBondContact O-N 2.95Å; A59-I62 VanDerWaalsContact O-N 3.14Å; A59-D173 WeakPolarHBondContact CB-OD1 3.33Å; A59-D173 PolarHBondContact N-OD1 3.45Å; A59-Y176 HydrophobicContact CB-CD1 3.93Å; A59-Y176 HydrophobicContact CB-CG 3.83Å
60K90.3Very high93.9Very high147 Ų14747.3 Ų47.364%0.63926%0.256SS*.THydrogen-bonded Turntrans-53.6133.2179.3178.6174.2-175.6174.10112.2L54 S55 N56 G57 T58 I62L54-K60 WeakPolarHBondContact O-CA 3.35Å; S55-K60 VanDerWaalsContact O-CD 3.25Å; S55-K60 WeakPolarHBondContact O-CD 3.21Å; S55-K60 WeakPolarHBondContact O-CE 3.24Å; S55-K60 WeakPolarHBondContact O-CG 3.47Å; N56-K60 PolarHBondContact O-N 3.5Å; G57-K60 WeakPolarHBondContact O-CB 3.48Å; G57-K60 PolarHBondContact O-N 3.47Å; T58-K60 PolarHBondContact O-N 3.42Å; K60-I62 VanDerWaalsContact C-N 3.29Å
61G90.1Very high93.9Very high32 Ų3245.5 Ų45.533%0.3325%0.248SC..THydrogen-bonded Turntrans87.9-10.6178.900000114.2K53 L54 A59K53-G61 WeakPolarHBondContact CE-O 3.49Å; L54-G61 PolarHBondContact O-N 3.19Å; A59-G61 PolarHBondContact O-N 2.9Å
62I92.2Very high93.9Very high24 Ų2440.8 Ų40.812%0.12323%0.228CC..  trans-75131.4176.4-58-61.3000110.1L14 K53 L54 A59 K60 Y176L14-I62 HydrophobicContact CD1-CG2 3.66Å; L14-I62 HydrophobicContact CG-CG2 3.82Å; K53-I62 WeakPolarHBondContact CA-O 3.35Å; L54-I62 PolarHBondContact N-O 3.38Å; A59-I62 VanDerWaalsContact O-CB 3.24Å; A59-I62 WeakPolarHBondContact O-CB 3.41Å; A59-I62 WeakPolarHBondContact O-CG1 3.48Å; A59-I62 PolarHBondContact O-N 2.95Å; A59-I62 VanDerWaalsContact O-N 3.14Å; K60-I62 VanDerWaalsContact C-N 3.29Å; I62-Y176 HydrophobicContact CD1-CE2 3.9Å; I62-Y176 HydrophobicContact CG1-CD2 4.3Å; I62-Y176 HydrophobicContact CG1-CE2 3.77Å
63S95Very high94Very high52 Ų5247.4 Ų47.436%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-85.9131.2169.3-63.60000109.8S13 L14S13-S63 CarbonylContact C-O 3.54Å; S13-S63 VanDerWaalsContact CA-O 3.23Å; S13-S63 WeakPolarHBondContact CA-O 3.42Å; S13-S63 PolarHBondContact OG-O 3.29Å; L14-S63 PolarHBondContact N-O 2.95Å
64C96.7Very high94Very high1 Ų148.2 Ų48.21%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-121.7135.3175.3-66.30000109.2L14 I16 K51 I52 F66L14-C64 CarbonylContact O-C 3.6Å; L14-C64 WeakPolarHBondContact O-CA 3.48Å; I16-C64 HydrophobicContact CG1-CB 4.42Å; K51-C64 WeakPolarHBondContact CA-O 3.31Å; I52-C64 PolarHBondContact N-O 2.92Å; I52-C64 PolarHBondContact O-N 2.91Å; C64-F66 HydrophobicContact CB-CD2 3.86Å; C64-F66 HydrophobicContact CB-CE2 3.3Å; C64-F66 HydrophobicContact CB-CZ 3.9Å
65H97.3Very high94.2Very high34 Ų3448.7 Ų48.716%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-104.5106.5170-175.3-157.9000107.7S13 L14 I16 K51 W67S13-H65 PolarHBondContact OG-N 2.96Å; L14-H65 PolarHBondContact O-N 3.46Å; I16-H65 PolarHBondContact N-O 2.9Å; K51-H65 HydrophobicContact CG-CB 4.48Å; H65-W67 AromaticContact CE1-CE2 3.8Å; H65-W67 AromaticContact CE1-CZ2 3.77Å; H65-W67 AromaticContact CE1-NE1 3.52Å; H65-W67 AromaticContact ND1-NE1 3.58Å
66F98.2Very high94.5Very high0 Ų046.2 Ų46.20%025%0.245CC..EExtended strand (participates in β ladder)trans-90.8140.1-177.8-73-89.8000111I16 M18 L30 L33 T49 E50 I52 C64 I90 M172I16-F66 HydrophobicContact CB-CD1 3.9Å; I16-F66 HydrophobicContact CB-CE1 3.96Å; I16-F66 HydrophobicContact CG1-CE1 4.4Å; I16-F66 HydrophobicContact CG2-CD1 3.89Å; I16-F66 HydrophobicContact CG2-CE1 3.75Å; I16-F66 CarbonylContact O-C 3.53Å; I16-F66 VanDerWaalsContact O-CA 3.29Å; I16-F66 WeakPolarHBondContact O-CA 3.49Å; M18-F66 HydrophobicContact CG-CD1 4.13Å; M18-F66 HydrophobicContact SD-CD1 3.86Å; M18-F66 HydrophobicContact SD-CE1 4.42Å; L30-F66 HydrophobicContact CD1-CB 3.45Å; L30-F66 VanDerWaalsContact CD1-CB 3.45Å; L30-F66 HydrophobicContact CD1-CD1 4.22Å; L30-F66 HydrophobicContact CD1-CD2 4.17Å; L30-F66 HydrophobicContact CD1-CG 3.71Å; L33-F66 HydrophobicContact CD1-CE1 4.3Å; L33-F66 HydrophobicContact CD1-CZ 4.06Å; T49-F66 VanDerWaalsContact CA-O 3.24Å; T49-F66 WeakPolarHBondContact CA-O 3.45Å; E50-F66 PolarHBondContact N-O 3.29Å; E50-F66 VanDerWaalsContact N-O 3.11Å; E50-F66 PolarHBondContact O-N 3.45Å; I52-F66 HydrophobicContact CB-CD2 4.19Å; I52-F66 HydrophobicContact CB-CE2 3.98Å; I52-F66 HydrophobicContact CD1-CD2 3.71Å; I52-F66 HydrophobicContact CD1-CE2 3.83Å; I52-F66 HydrophobicContact CG1-CD2 4.07Å; I52-F66 HydrophobicContact CG1-CE2 4.25Å; C64-F66 HydrophobicContact CB-CD2 3.86Å; C64-F66 HydrophobicContact CB-CE2 3.3Å; C64-F66 HydrophobicContact CB-CZ 3.9Å; F66-I90 HydrophobicContact CE1-CD1 3.81Å; F66-M172 HydrophobicContact CE1-CE 4.25Å; F66-M172 HydrophobicContact CE1-SD 4.3Å; F66-M172 HydrophobicContact CZ-CE 3.73Å; F66-M172 HydrophobicContact CZ-SD 4.08Å
67W98Very high95Very high69 Ų6947.1 Ų47.126%0.26126%0.255SS..EExtended strand (participates in β ladder)trans-117.9102.9169.1-66.775.9000108.5I16 V17 M18 F47 T49 H65 Y82I16-W67 PolarHBondContact O-N 3.25Å; V17-W67 HydrophobicContact CG2-CB 4.24Å; M18-W67 PolarHBondContact N-O 3.04Å; F47-W67 AromaticContact CD2-CE3 3.79Å; F47-W67 HydrophobicContact CD2-CE3 3.79Å; F47-W67 AromaticContact CD2-CZ3 3.79Å; F47-W67 HydrophobicContact CD2-CZ3 3.79Å; F47-W67 HydrophobicContact CE2-CE3 4.03Å; F47-W67 AromaticContact CE2-CZ3 3.54Å; F47-W67 HydrophobicContact CE2-CZ3 3.54Å; F47-W67 HydrophobicContact CZ-CZ3 4.25Å; T49-W67 HydrophobicContact CG2-CD2 3.54Å; T49-W67 HydrophobicContact CG2-CE3 3.36Å; T49-W67 HydrophobicContact CG2-CG 4.17Å; T49-W67 HydrophobicContact CG2-CH2 4.02Å; T49-W67 HydrophobicContact CG2-CZ2 4.17Å; T49-W67 HydrophobicContact CG2-CZ3 3.61Å; H65-W67 AromaticContact CE1-CE2 3.8Å; H65-W67 AromaticContact CE1-CZ2 3.77Å; H65-W67 AromaticContact CE1-NE1 3.52Å; H65-W67 AromaticContact ND1-NE1 3.58Å; W67-Y82 HydrophobicContact CD2-CD1 4.37Å; W67-Y82 AromaticContact CE3-CD1 3.56Å; W67-Y82 HydrophobicContact CE3-CD1 3.56Å; W67-Y82 AromaticContact CE3-CE1 3.62Å; W67-Y82 HydrophobicContact CE3-CE1 3.62Å; W67-Y82 AromaticContact CZ3-CD1 3.97Å; W67-Y82 HydrophobicContact CZ3-CD1 3.97Å; W67-Y82 AromaticContact CZ3-CE1 3.63Å; W67-Y82 HydrophobicContact CZ3-CE1 3.63Å
68D97.8Very high95.4Very high0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-87.5114172.1170.337.7000109.2K26 T27 L30 F47 N48K26-D68 WeakPolarHBondContact CB-OD1 3.41Å; T27-D68 WeakPolarHBondContact CA-OD2 3.17Å; T27-D68 WeakPolarHBondContact CB-OD2 3.19Å; T27-D68 PolarHBondContact OG1-OD2 3.46Å; L30-D68 HydrophobicContact CD2-CB 3.7Å; F47-D68 CarbonylContact C-O 3.5Å; F47-D68 WeakPolarHBondContact CA-O 3.22Å; F47-D68 WeakPolarHBondContact CB-O 3.28Å; N48-D68 HydrophobicContact CB-CB 4.36Å; N48-D68 PolarHBondContact N-O 3.32Å; N48-D68 PolarHBondContact O-N 3Å
69V98Very high95.8Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-106.2137-174.3-1700000109.5V17 M18 L19 K26 G71 Y82V17-V69 HydrophobicContact CG2-CG2 3.87Å; M18-V69 PolarHBondContact O-N 3.5Å; L19-V69 HydrophobicContact CD2-CB 3.93Å; L19-V69 HydrophobicContact CD2-CG2 4Å; K26-V69 WeakPolarHBondContact CE-O 3.33Å; V69-G71 PolarHBondContact O-N 3.4Å; V69-Y82 HydrophobicContact CG1-CD2 3.85Å; V69-Y82 HydrophobicContact CG1-CE2 4.35Å; V69-Y82 HydrophobicContact CG1-CG 4.45Å; V69-Y82 HydrophobicContact CG2-CD1 4.39Å; V69-Y82 HydrophobicContact CG2-CD2 4.03Å; V69-Y82 HydrophobicContact CG2-CG 3.78Å
70G97.4Very high96.2Very high1 Ų148.5 Ų48.51%0.0124%0.243CC..  trans-54.4136.4178.400000112.5G46 W79G46-G70 PolarHBondContact O-N 3.14Å; G70-W79 PolarHBondContact O-NE1 3.19Å
71G97.5Very high96.5Very high3 Ų344.8 Ų44.83%0.03124%0.236CC..  trans-98.5-4.9-173.900000115.7G20 D22 V69 R76G20-G71 WeakPolarHBondContact O-CA 3.5Å; D22-G71 PolarHBondContact N-O 3.44Å; V69-G71 PolarHBondContact O-N 3.4Å; G71-R76 PolarHBondContact O-NE 2.97Å; G71-R76 PolarHBondContact O-NH2 3.29Å
72Q97.1Very high96.8Very high51 Ų5145.9 Ų45.924%0.23823%0.23CC..SBendtrans-61.5142.1177-64.7178.213.900109.3D22 K74 L75 R76D22-Q72 HydrophobicContact CB-CG 4.01Å; Q72-K74 VanDerWaalsContact C-N 3.25Å; Q72-K74 HydrophobicContact CB-CG 4.39Å; Q72-K74 PolarHBondContact O-N 3.38Å; Q72-K74 VanDerWaalsContact O-N 3.11Å; Q72-L75 HydrophobicContact CB-CD1 4.39Å; Q72-L75 HydrophobicContact CB-CG 4.43Å; Q72-L75 WeakPolarHBondContact O-CA 3.41Å; Q72-L75 WeakPolarHBondContact O-CB 3.43Å; Q72-L75 PolarHBondContact O-N 3.48Å; Q72-R76 WeakPolarHBondContact O-CG 3.09Å; Q72-R76 PolarHBondContact O-N 3.09Å
73E96.8Very high97Very high148 Ų14844.7 Ų44.769%0.69222%0.224SC*.G310 helixtrans-45.7-47.9-176.3-169.9-176.8174.800113.2L75 R76E73-L75 PolarHBondContact O-N 2.85Å; E73-L75 VanDerWaalsContact O-N 3.08Å; E73-R76 PolarHBondContact O-N 2.81Å; E73-R76 VanDerWaalsContact O-N 3.12Å
74K96.8Very high96.9Very high162 Ų16247.7 Ų47.770%0.70423%0.228SC*.G310 helixtrans-59.4-21.9178.473.9-173.1-174.3-166.70115.1Q72Q72-K74 VanDerWaalsContact C-N 3.25Å; Q72-K74 HydrophobicContact CB-CG 4.39Å; Q72-K74 PolarHBondContact O-N 3.38Å; Q72-K74 VanDerWaalsContact O-N 3.11Å
75L96.4Very high96.7Very high22 Ų2253 Ų5312%0.11526%0.264CS..G310 helixtrans-96.7-18.8-179.2-61.2179.5000112.8T44 Q72 E73 P77 L78T44-L75 WeakPolarHBondContact O-CD1 3.47Å; Q72-L75 HydrophobicContact CB-CD1 4.39Å; Q72-L75 HydrophobicContact CB-CG 4.43Å; Q72-L75 WeakPolarHBondContact O-CA 3.41Å; Q72-L75 WeakPolarHBondContact O-CB 3.43Å; Q72-L75 PolarHBondContact O-N 3.48Å; E73-L75 PolarHBondContact O-N 2.85Å; E73-L75 VanDerWaalsContact O-N 3.08Å; L75-P77 VanDerWaalsContact C-N 3.32Å; L75-L78 HydrophobicContact CD2-CD1 4.31Å; L75-L78 VanDerWaalsContact O-CB 3.23Å; L75-L78 WeakPolarHBondContact O-CB 3.41Å; L75-L78 WeakPolarHBondContact O-CG 3.43Å; L75-L78 PolarHBondContact O-N 3.4Å
76R97.6Very high96.7Very high16 Ų1651.9 Ų51.96%0.0626%0.259CS..G310 helixtrans-59.6-28.7-177.1-56.8-174.3-164.81502.6115.1D22 G71 Q72 E73 L78 W79 E103D22-R76 IonicContact OD1-NH2 2.89Å; G71-R76 PolarHBondContact O-NE 2.97Å; G71-R76 PolarHBondContact O-NH2 3.29Å; Q72-R76 WeakPolarHBondContact O-CG 3.09Å; Q72-R76 PolarHBondContact O-N 3.09Å; E73-R76 PolarHBondContact O-N 2.81Å; E73-R76 VanDerWaalsContact O-N 3.12Å; R76-L78 PolarHBondContact O-N 3.24Å; R76-L78 VanDerWaalsContact O-N 3.09Å; R76-W79 HydrophobicContact CB-CD2 4.21Å; R76-W79 HydrophobicContact CG-CD2 4.37Å; R76-W79 HydrophobicContact CG-CH2 4.24Å; R76-W79 HydrophobicContact CG-CZ2 3.78Å; R76-W79 VanDerWaalsContact O-CB 3.26Å; R76-W79 WeakPolarHBondContact O-CB 3.23Å; R76-W79 VanDerWaalsContact O-CG 3.31Å; R76-W79 PolarHBondContact O-N 3.4Å; R76-E103 IonicContact CZ-OE1 3.63Å; R76-E103 IonicContact NH1-OE1 3.58Å; R76-E103 PolarHBondContact NH1-OE1 2.8Å; R76-E103 IonicContact NH2-OE1 2.95Å; R76-E103 PolarHBondContact NH2-OE1 2.83Å
77P96.6Very high96.6Very high95 Ų9553.2 Ų53.262%0.61727%0.266SS*.G310 helixtrans-54.8-27.7170.7-2937.2000113.9L75 W79L75-P77 VanDerWaalsContact C-N 3.32Å; P77-W79 VanDerWaalsContact C-N 3.29Å; P77-W79 PolarHBondContact O-N 3.04Å
78L96Very high96.6Very high68 Ų6849.9 Ų49.936%0.35625%0.254SS..G310 helixtrans-72-21.3178.4-58.5174.4000113.1L75 R76 K80 S81 Y82L75-L78 HydrophobicContact CD2-CD1 4.31Å; L75-L78 VanDerWaalsContact O-CB 3.23Å; L75-L78 WeakPolarHBondContact O-CB 3.41Å; L75-L78 WeakPolarHBondContact O-CG 3.43Å; L75-L78 PolarHBondContact O-N 3.4Å; R76-L78 PolarHBondContact O-N 3.24Å; R76-L78 VanDerWaalsContact O-N 3.09Å; L78-K80 PolarHBondContact O-N 2.76Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-Y82 HydrophobicContact CB-CD2 3.84Å; L78-Y82 HydrophobicContact CB-CE2 3.78Å; L78-Y82 HydrophobicContact CD1-CE2 4.31Å; L78-Y82 HydrophobicContact CG-CE2 4.49Å; L78-Y82 VanDerWaalsContact O-CD2 3.26Å; L78-Y82 WeakPolarHBondContact O-CD2 3.11Å; L78-Y82 PolarHBondContact O-N 3.26Å; L78-Y82 VanDerWaalsContact O-N 3.1Å
79W97.9Very high96.7Very high2 Ų250 Ų501%0.00825%0.254CS..Hα-helixtrans-56.9-36.1-177.1-67.65.8000112.1L19 G20 G70 R76 P77 S81 Y82 S83 Y91 E107 V111L19-W79 HydrophobicContact CB-CD2 4.47Å; L19-W79 HydrophobicContact CB-CE3 4.47Å; L19-W79 HydrophobicContact CD1-CB 4.35Å; L19-W79 HydrophobicContact CD1-CE3 4.46Å; L19-W79 HydrophobicContact CD2-CB 4.1Å; L19-W79 HydrophobicContact CD2-CD2 3.97Å; L19-W79 HydrophobicContact CD2-CG 3.71Å; G20-W79 VanDerWaalsContact O-CZ2 3.25Å; G20-W79 WeakPolarHBondContact O-CZ2 3.3Å; G70-W79 PolarHBondContact O-NE1 3.19Å; R76-W79 HydrophobicContact CB-CD2 4.21Å; R76-W79 HydrophobicContact CG-CD2 4.37Å; R76-W79 HydrophobicContact CG-CH2 4.24Å; R76-W79 HydrophobicContact CG-CZ2 3.78Å; R76-W79 VanDerWaalsContact O-CB 3.26Å; R76-W79 WeakPolarHBondContact O-CB 3.23Å; R76-W79 VanDerWaalsContact O-CG 3.31Å; R76-W79 PolarHBondContact O-N 3.4Å; P77-W79 VanDerWaalsContact C-N 3.29Å; P77-W79 PolarHBondContact O-N 3.04Å; W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.19Å; W79-Y82 PolarHBondContact O-N 3.24Å; W79-S83 WeakPolarHBondContact O-CB 3.23Å; W79-S83 PolarHBondContact O-N 3.2Å; W79-S83 PolarHBondContact O-OG 2.82Å; W79-Y91 HydrophobicContact CH2-CE2 4.23Å; W79-Y91 AromaticContact CZ3-CE2 3.91Å; W79-Y91 HydrophobicContact CZ3-CE2 3.91Å; W79-E107 HydrophobicContact CH2-CB 4.35Å; W79-E107 HydrophobicContact CZ3-CB 3.72Å; W79-V111 HydrophobicContact CB-CG2 4.42Å; W79-V111 HydrophobicContact CE3-CG2 3.63Å; W79-V111 HydrophobicContact CZ3-CG2 4.29Å
80K96.7Very high96.7Very high92 Ų9250.1 Ų50.140%0.426%0.255SS..Hα-helixtrans-57.3-42.4174.9-177.3176.9-179.8177.60112L78 R84 F114L78-K80 PolarHBondContact O-N 2.76Å; K80-R84 VanDerWaalsContact O-CG 3.26Å; K80-R84 WeakPolarHBondContact O-CG 3.13Å; K80-F114 HydrophobicContact CB-CD2 4.11Å; K80-F114 HydrophobicContact CB-CE2 3.61Å; K80-F114 HydrophobicContact CB-CZ 3.85Å; K80-F114 HydrophobicContact CD-CE1 4.37Å; K80-F114 HydrophobicContact CG-CD1 4.47Å; K80-F114 HydrophobicContact CG-CD2 4.06Å; K80-F114 HydrophobicContact CG-CE1 4.43Å; K80-F114 HydrophobicContact CG-CE2 4.02Å; K80-F114 HydrophobicContact CG-CG 4.3Å; K80-F114 HydrophobicContact CG-CZ 4.22Å
81S96.2Very high96.8Very high68 Ų6850 Ų5048%0.47625%0.254SS..Hα-helixtrans-74.7-42.3-178-64.10000111.6L78 W79L78-S81 PolarHBondContact O-N 2.98Å; W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.19Å
82Y96.3Very high96.9Very high55 Ų5550 Ų5022%0.21625%0.253CS..Hα-helixtrans-76.1-24.2-177.2-73.5-72.6000114.1F47 W67 V69 L78 W79 R84F47-Y82 HydrophobicContact CB-CE1 4.38Å; F47-Y82 HydrophobicContact CD1-CE1 4.04Å; F47-Y82 AromaticContact CD1-CZ 3.61Å; F47-Y82 WeakPolarHBondContact CD1-OH 3.2Å; F47-Y82 HydrophobicContact CD2-CE1 4.26Å; F47-Y82 HydrophobicContact CE1-CE1 4.39Å; F47-Y82 WeakPolarHBondContact CE1-OH 3.46Å; F47-Y82 AromaticContact CG-CE1 3.96Å; F47-Y82 HydrophobicContact CG-CE1 3.96Å; F47-Y82 AromaticContact CG-CZ 3.91Å; W67-Y82 HydrophobicContact CD2-CD1 4.37Å; W67-Y82 AromaticContact CE3-CD1 3.56Å; W67-Y82 HydrophobicContact CE3-CD1 3.56Å; W67-Y82 AromaticContact CE3-CE1 3.62Å; W67-Y82 HydrophobicContact CE3-CE1 3.62Å; W67-Y82 AromaticContact CZ3-CD1 3.97Å; W67-Y82 HydrophobicContact CZ3-CD1 3.97Å; W67-Y82 AromaticContact CZ3-CE1 3.63Å; W67-Y82 HydrophobicContact CZ3-CE1 3.63Å; V69-Y82 HydrophobicContact CG1-CD2 3.85Å; V69-Y82 HydrophobicContact CG1-CE2 4.35Å; V69-Y82 HydrophobicContact CG1-CG 4.45Å; V69-Y82 HydrophobicContact CG2-CD1 4.39Å; V69-Y82 HydrophobicContact CG2-CD2 4.03Å; V69-Y82 HydrophobicContact CG2-CG 3.78Å; L78-Y82 HydrophobicContact CB-CD2 3.84Å; L78-Y82 HydrophobicContact CB-CE2 3.78Å; L78-Y82 HydrophobicContact CD1-CE2 4.31Å; L78-Y82 HydrophobicContact CG-CE2 4.49Å; L78-Y82 VanDerWaalsContact O-CD2 3.26Å; L78-Y82 WeakPolarHBondContact O-CD2 3.11Å; L78-Y82 PolarHBondContact O-N 3.26Å; L78-Y82 VanDerWaalsContact O-N 3.1Å; W79-Y82 PolarHBondContact O-N 3.24Å; Y82-R84 VanDerWaalsContact C-N 3.31Å
83S96.8Very high96.9Very high0 Ų047.7 Ų47.70%024%0.243CC..THydrogen-bonded Turntrans-80.8-10.6177.774.30000114W79 T86 N117W79-S83 WeakPolarHBondContact O-CB 3.23Å; W79-S83 PolarHBondContact O-N 3.2Å; W79-S83 PolarHBondContact O-OG 2.82Å; S83-T86 VanDerWaalsContact O-CG2 3.3Å; S83-T86 WeakPolarHBondContact O-CG2 3.28Å; S83-T86 PolarHBondContact O-N 3.18Å; S83-T86 PolarHBondContact O-OG1 2.84Å; S83-N117 WeakPolarHBondContact CB-OD1 3.4Å; S83-N117 PolarHBondContact O-OD1 2.87Å; S83-N117 VanDerWaalsContact O-OD1 3.12Å; S83-N117 PolarHBondContact OG-ND2 3.19Å; S83-N117 PolarHBondContact OG-OD1 3.39Å
84R93.4Very high97Very high114 Ų11441.5 Ų41.543%0.4321%0.214SC..THydrogen-bonded Turntrans-60.7137.2-177.2-67.7-177.8163166.9-8111.7K80 Y82 T86 E116K80-R84 VanDerWaalsContact O-CG 3.26Å; K80-R84 WeakPolarHBondContact O-CG 3.13Å; Y82-R84 VanDerWaalsContact C-N 3.31Å; R84-T86 PolarHBondContact O-N 2.88Å; R84-E116 HydrophobicContact CG-CB 4.16Å; R84-E116 HydrophobicContact CG-CG 4.13Å; R84-E116 IonicContact CZ-OE1 2.68Å; R84-E116 IonicContact NE-OE1 3.23Å; R84-E116 PolarHBondContact NE-OE1 3.5Å; R84-E116 IonicContact NH2-OE1 3.68Å; R84-E116 PolarHBondContact NH2-OE1 3.25Å
85C91.5Very high97.1Very high114 Ų11433.8 Ų33.877%0.7718%0.181SC*.THydrogen-bonded Turntrans54.526173.9-580000113.7
86T96.9Very high97.2Very high9 Ų935 Ų356%0.05519%0.189CC..  trans-78.5146.5174.655.70000110.2V17 S83 R84V17-T86 HydrophobicContact CB-CG2 3.92Å; V17-T86 HydrophobicContact CG1-CG2 3.9Å; S83-T86 VanDerWaalsContact O-CG2 3.3Å; S83-T86 WeakPolarHBondContact O-CG2 3.28Å; S83-T86 PolarHBondContact O-N 3.18Å; S83-T86 PolarHBondContact O-OG1 2.84Å; R84-T86 PolarHBondContact O-N 2.88Å
87D97.6Very high97.3Very high28 Ų2836.1 Ų36.115%0.1520%0.196CC..SBendtrans-72.5-34.9173.4-72.8-60.9000111.1L14 H15 I16 P121 I179 R183L14-D87 WeakPolarHBondContact CA-OD2 3.28Å; L14-D87 HydrophobicContact CB-CB 4.48Å; L14-D87 HydrophobicContact CD2-CB 4.45Å; H15-D87 PolarHBondContact N-OD2 3.05Å; H15-D87 PolarHBondContact O-N 2.83Å; I16-D87 HydrophobicContact CD1-CB 4.36Å; D87-P121 VanDerWaalsContact O-CD 3.23Å; D87-P121 WeakPolarHBondContact O-CD 3.4Å; D87-I179 HydrophobicContact CB-CD1 4.12Å; D87-I179 HydrophobicContact CB-CG2 4.24Å; D87-I179 WeakPolarHBondContact O-CG1 3.26Å; D87-R183 IonicContact OD1-CZ 3.36Å; D87-R183 IonicContact OD1-NE 3.29Å; D87-R183 PolarHBondContact OD1-NE 3.21Å; D87-R183 IonicContact OD1-NH2 2.68Å; D87-R183 PolarHBondContact OD1-NH2 2.82Å; D87-R183 IonicContact OD2-NH2 3.01Å; D87-R183 PolarHBondContact OD2-NH2 3.44Å
88G98.3Very high97.3Very high0 Ų034.7 Ų34.70%019%0.185CC..EExtended strand (participates in β ladder)trans-155.4156178.300000112.9I16 V17I16-G88 WeakPolarHBondContact CA-O 3.49Å; V17-G88 PolarHBondContact N-O 2.82Å
89I98.8Very high97.3Very high2 Ų238.9 Ų38.91%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-112.4130.5176.3-62.1167.8000107.9V17 L19 V111 N117 T120 P121 L122 L123V17-I89 HydrophobicContact CG1-CB 4.25Å; V17-I89 HydrophobicContact CG1-CG1 3.78Å; V17-I89 HydrophobicContact CG1-CG2 4.24Å; L19-I89 HydrophobicContact CD1-CG2 4.25Å; I89-V111 HydrophobicContact CD1-CG1 4.12Å; I89-N117 HydrophobicContact CD1-CB 4.31Å; I89-T120 HydrophobicContact CD1-CG2 4.03Å; I89-T120 HydrophobicContact CG1-CG2 3.86Å; I89-P121 PolarHBondContact N-O 3.34Å; I89-L122 HydrophobicContact CB-CD1 4.28Å; I89-L122 HydrophobicContact CG2-CD1 3.94Å; I89-L122 WeakPolarHBondContact O-CA 3.48Å; I89-L123 PolarHBondContact O-N 3.3Å
90I98.9Very high97.4Very high2 Ų241.6 Ų41.61%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-102.6125.1164.5-61.3-178.8000107.3I16 V17 M18 L19 F66 V92 L123 I125 M172 L175I16-I90 HydrophobicContact CG2-CD1 3.81Å; I16-I90 HydrophobicContact CG2-CG1 3.79Å; V17-I90 PolarHBondContact O-N 2.92Å; M18-I90 CarbonylContact C-O 3.56Å; M18-I90 WeakPolarHBondContact CA-O 3.34Å; M18-I90 HydrophobicContact CG-CB 3.97Å; M18-I90 HydrophobicContact CG-CD1 4.25Å; M18-I90 HydrophobicContact CG-CG2 4.34Å; L19-I90 PolarHBondContact N-O 2.91Å; F66-I90 HydrophobicContact CE1-CD1 3.81Å; I90-V92 HydrophobicContact CG2-CG2 3.98Å; I90-L123 CarbonylContact C-O 3.49Å; I90-L123 VanDerWaalsContact CA-O 3.29Å; I90-L123 WeakPolarHBondContact CA-O 3.36Å; I90-L123 HydrophobicContact CD1-CD2 4.29Å; I90-L123 HydrophobicContact CG1-CB 4.31Å; I90-L123 HydrophobicContact CG1-CD2 4.13Å; I90-I125 HydrophobicContact CG2-CG1 3.65Å; I90-M172 HydrophobicContact CD1-SD 3.73Å; I90-L175 HydrophobicContact CD1-CD2 4.05Å; I90-L175 HydrophobicContact CG1-CD2 3.72Å
91Y98.9Very high97.4Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-114.1110.6175.1-163.9-90.5000109.3L19 W79 V93 A104 L108 L123 V124 I125L19-Y91 HydrophobicContact CB-CD2 3.96Å; L19-Y91 HydrophobicContact CB-CE2 4.36Å; L19-Y91 CarbonylContact O-C 3.43Å; L19-Y91 WeakPolarHBondContact O-CA 3.44Å; W79-Y91 HydrophobicContact CH2-CE2 4.23Å; W79-Y91 AromaticContact CZ3-CE2 3.91Å; W79-Y91 HydrophobicContact CZ3-CE2 3.91Å; Y91-V93 HydrophobicContact CD1-CG2 3.63Å; Y91-V93 HydrophobicContact CE1-CG2 3.78Å; Y91-A104 HydrophobicContact CE1-CB 4.32Å; Y91-A104 WeakPolarHBondContact OH-CA 3.38Å; Y91-A104 PolarHBondContact OH-O 3.26Å; Y91-L108 HydrophobicContact CD1-CB 4.42Å; Y91-L108 HydrophobicContact CD1-CD1 4.16Å; Y91-L108 HydrophobicContact CD1-CD2 4.35Å; Y91-L108 HydrophobicContact CD2-CB 4.35Å; Y91-L108 HydrophobicContact CD2-CD1 3.67Å; Y91-L108 HydrophobicContact CE1-CB 4.06Å; Y91-L108 HydrophobicContact CE2-CB 3.96Å; Y91-L108 HydrophobicContact CE2-CD1 4.14Å; Y91-L108 HydrophobicContact CG-CD1 3.69Å; Y91-L123 PolarHBondContact N-O 3.26Å; Y91-V124 CarbonylContact O-C 3.58Å; Y91-V124 VanDerWaalsContact O-CA 3.32Å; Y91-V124 WeakPolarHBondContact O-CA 3.5Å; Y91-I125 PolarHBondContact O-N 3.06Å
92V98.9Very high97.5Very high1 Ų139.2 Ų39.21%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-93129.2-176-170.80000109.7M18 L19 A24 K26 V29 I90 I125 N127M18-V92 HydrophobicContact CE-CG2 4.19Å; L19-V92 PolarHBondContact O-N 2.91Å; A24-V92 HydrophobicContact CB-CB 4.4Å; A24-V92 HydrophobicContact CB-CG1 4.19Å; A24-V92 WeakPolarHBondContact CB-O 3.23Å; A24-V92 WeakPolarHBondContact O-CG1 3.44Å; K26-V92 HydrophobicContact CB-CG2 4.42Å; K26-V92 HydrophobicContact CG-CB 3.78Å; K26-V92 HydrophobicContact CG-CG2 3.79Å; V29-V92 HydrophobicContact CG2-CG1 4.43Å; I90-V92 HydrophobicContact CG2-CG2 3.98Å; V92-I125 HydrophobicContact CG1-CB 4.35Å; V92-I125 HydrophobicContact CG1-CG2 4.29Å; V92-I125 HydrophobicContact CG2-CB 4.26Å; V92-N127 HydrophobicContact CG1-CB 3.85Å
93V98.8Very high97.7Very high4 Ų439.7 Ų39.72%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-121.1134.6-177.5-1800000109Y91 S95 L101 V124 I125 N127 I140 L144Y91-V93 HydrophobicContact CD1-CG2 3.63Å; Y91-V93 HydrophobicContact CE1-CG2 3.78Å; V93-S95 PolarHBondContact O-N 3.05Å; V93-L101 HydrophobicContact CG1-CD2 3.43Å; V93-L101 VanDerWaalsContact CG1-CD2 3.43Å; V93-V124 HydrophobicContact CG2-CG1 3.97Å; V93-I125 PolarHBondContact N-O 2.82Å; V93-N127 WeakPolarHBondContact O-CB 3.48Å; V93-N127 PolarHBondContact O-N 3.25Å; V93-I140 HydrophobicContact CG1-CG2 4.3Å; V93-L144 HydrophobicContact CG2-CD1 3.96Å
94D98.7Very high97.7Very high18 Ų1839.9 Ų39.910%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-76.7112.8169.3-171-23.7000108.8V96 D97 K128D94-V96 PolarHBondContact O-N 2.93Å; D94-V96 PolarHBondContact OD1-N 3.32Å; D94-D97 HydrophobicContact CB-CB 3.77Å; D94-D97 PolarHBondContact O-N 3.36Å; D94-D97 PolarHBondContact OD1-N 3.07Å; D94-K128 WeakPolarHBondContact OD1-CD 3.41Å; D94-K128 IonicContact OD1-NZ 3.35Å; D94-K128 VanDerWaalsContact OD2-CE 3.25Å; D94-K128 WeakPolarHBondContact OD2-CE 3.33Å; D94-K128 IonicContact OD2-NZ 2.86Å; D94-K128 PolarHBondContact OD2-NZ 3.19Å
95S98.8Very high98Very high0 Ų036.6 Ų36.60%020%0.196CC..SBendtrans-72.4-11.2-177-51.30000113.3V93 A126 N127 Q129 L135 I140V93-S95 PolarHBondContact O-N 3.05Å; S95-A126 VanDerWaalsContact OG-C 3.22Å; S95-N127 WeakPolarHBondContact CB-O 3.38Å; S95-N127 PolarHBondContact N-O 3.04Å; S95-N127 PolarHBondContact OG-N 2.79Å; S95-N127 PolarHBondContact OG-O 2.99Å; S95-Q129 VanDerWaalsContact CB-NE2 3.29Å; S95-Q129 PolarHBondContact OG-NE2 2.94Å; S95-L135 WeakPolarHBondContact O-CG 3.44Å; S95-L135 PolarHBondContact O-N 2.97Å; S95-I140 WeakPolarHBondContact OG-CD1 3.27Å
96V98.4Very high98.3Very high48 Ų4834.8 Ų34.829%0.29118%0.182SC..SBendtrans-96.9-24.8-179.3-175.80000111.5D94 V98 K128 L131D94-V96 PolarHBondContact O-N 2.93Å; D94-V96 PolarHBondContact OD1-N 3.32Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 3.46Å; V96-K128 HydrophobicContact CG2-CB 4.47Å; V96-L131 HydrophobicContact CG2-CB 3.63Å; V96-L131 HydrophobicContact CG2-CD1 3.94Å; V96-L131 HydrophobicContact CG2-CG 4.39Å
97D97.9Very high98.4Very high39 Ų3935.7 Ų35.721%0.20919%0.185CC..  trans-87.667.9-171.7-161.4-20.3000111.9D94 D99 R100D94-D97 HydrophobicContact CB-CB 3.77Å; D94-D97 PolarHBondContact O-N 3.36Å; D94-D97 PolarHBondContact OD1-N 3.07Å; D97-D99 PolarHBondContact O-N 3.1Å; D97-R100 PolarHBondContact O-N 2.97Å; D97-R100 WeakPolarHBondContact OD1-CG 3.42Å; D97-R100 PolarHBondContact OD1-N 3.28Å; D97-R100 IonicContact OD1-NE 3.1Å; D97-R100 IonicContact OD2-CZ 2.63Å; D97-R100 IonicContact OD2-NE 3.99Å; D97-R100 PolarHBondContact OD2-NE 2.97Å; D97-R100 IonicContact OD2-NH2 3.31Å; D97-R100 PolarHBondContact OD2-NH2 3.45Å
98V97.1Very high98.5Very high64 Ų6434.4 Ų34.439%0.38818%0.178SC..G310 helixtrans-59-37-176.9-1750000111.7V96 R100 L101 L135V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 PolarHBondContact O-N 3.46Å; V98-R100 PolarHBondContact O-N 3.48Å; V98-L101 HydrophobicContact CG1-CD1 4.45Å; V98-L101 WeakPolarHBondContact O-CB 3.31Å; V98-L101 PolarHBondContact O-N 3.25Å; V98-L101 VanDerWaalsContact O-N 3.15Å; V98-L135 HydrophobicContact CG2-CD1 4.03Å; V98-L135 HydrophobicContact CG2-CD2 4.26Å; V98-L135 HydrophobicContact CG2-CG 4.11Å
99D97.6Very high98.5Very high156 Ų15635.3 Ų35.383%0.83418%0.182SC*.G310 helixtrans-62.5-29.1-177.2-63.8-25.8000112.4D97D97-D99 PolarHBondContact O-N 3.1Å
100R98.3Very high98.4Very high60 Ų6039.7 Ų39.723%0.22620%0.201CC..G310 helixtrans-99.46.3179.1-63.4-162.8-66.1159.43.8114.4L21 D22 D97 V98 E102 E103 A104L21-R100 HydrophobicContact CD1-CB 3.86Å; L21-R100 WeakPolarHBondContact CD1-O 3.4Å; D22-R100 PolarHBondContact O-NH1 2.81Å; D22-R100 PolarHBondContact O-NH2 3.38Å; D22-R100 IonicContact OD1-NH1 2.71Å; D22-R100 IonicContact OD2-NH1 2.96Å; D22-R100 PolarHBondContact OD2-NH1 3.48Å; D97-R100 PolarHBondContact O-N 2.97Å; D97-R100 WeakPolarHBondContact OD1-CG 3.42Å; D97-R100 PolarHBondContact OD1-N 3.28Å; D97-R100 IonicContact OD1-NE 3.1Å; D97-R100 IonicContact OD2-CZ 2.63Å; D97-R100 IonicContact OD2-NE 3.99Å; D97-R100 PolarHBondContact OD2-NE 2.97Å; D97-R100 IonicContact OD2-NH2 3.31Å; D97-R100 PolarHBondContact OD2-NH2 3.45Å; V98-R100 PolarHBondContact O-N 3.48Å; R100-E102 PolarHBondContact O-N 3.01Å; R100-E103 WeakPolarHBondContact O-CB 3.24Å; R100-E103 PolarHBondContact O-N 2.87Å; R100-A104 WeakPolarHBondContact O-CB 3.45Å; R100-A104 PolarHBondContact O-N 3.5Å
101L98Very high98.4Very high2 Ų239.7 Ų39.71%0.0120%0.201CC..Hα-helixtrans-67.5-35.7179.4-79.3171.8000113.6V93 V98 E103 A104 K105 L135 Q143 L144V93-L101 HydrophobicContact CG1-CD2 3.43Å; V93-L101 VanDerWaalsContact CG1-CD2 3.43Å; V98-L101 HydrophobicContact CG1-CD1 4.45Å; V98-L101 WeakPolarHBondContact O-CB 3.31Å; V98-L101 PolarHBondContact O-N 3.25Å; V98-L101 VanDerWaalsContact O-N 3.15Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.77Å; L101-A104 PolarHBondContact O-N 3.39Å; L101-K105 WeakPolarHBondContact O-CB 3.37Å; L101-K105 PolarHBondContact O-N 3.31Å; L101-L135 HydrophobicContact CD1-CD1 3.36Å; L101-Q143 HydrophobicContact CD1-CB 4.41Å; L101-L144 HydrophobicContact CD2-CD2 4.37Å
102E98.4Very high98.3Very high108 Ų10839.9 Ų39.951%0.50520%0.203SC..Hα-helixtrans-68.5-34.2176.2-170.662.6-156.800111.5R100 K105 T106R100-E102 PolarHBondContact O-N 3.01Å; E102-K105 WeakPolarHBondContact OE1-CD 3.33Å; E102-K105 IonicContact OE1-NZ 3.18Å; E102-K105 PolarHBondContact OE1-NZ 2.85Å; E102-K105 WeakPolarHBondContact OE2-CD 3.36Å; E102-K105 IonicContact OE2-NZ 3.1Å; E102-K105 PolarHBondContact OE2-NZ 2.68Å; E102-T106 WeakPolarHBondContact O-CB 3.48Å; E102-T106 PolarHBondContact O-N 3.39Å; E102-T106 PolarHBondContact O-OG1 3.3Å
103E98.7Very high98.1Very high64 Ų6446.5 Ų46.530%0.29923%0.231SC..Hα-helixtrans-64.9-46.2171.8-176.8-173.3-175.100110.7L21 R76 R100 L101 K105 T106 E107L21-E103 HydrophobicContact CD1-CB 4.19Å; L21-E103 HydrophobicContact CD1-CG 4.09Å; L21-E103 HydrophobicContact CD2-CG 4.18Å; R76-E103 IonicContact CZ-OE1 3.63Å; R76-E103 IonicContact NH1-OE1 3.58Å; R76-E103 PolarHBondContact NH1-OE1 2.8Å; R76-E103 IonicContact NH2-OE1 2.95Å; R76-E103 PolarHBondContact NH2-OE1 2.83Å; R100-E103 WeakPolarHBondContact O-CB 3.24Å; R100-E103 PolarHBondContact O-N 2.87Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.77Å; E103-K105 PolarHBondContact O-N 3.47Å; E103-T106 PolarHBondContact O-N 2.89Å; E103-E107 PolarHBondContact O-N 2.91Å
104A98.8Very high97.9Very high4 Ų448 Ų483%0.03324%0.238CC..Hα-helixtrans-60.1-46.5176.800000111.6L21 Y91 R100 L101 E107 L108 L144L21-A104 HydrophobicContact CD1-CB 3.85Å; L21-A104 HydrophobicContact CG-CB 4.01Å; Y91-A104 HydrophobicContact CE1-CB 4.32Å; Y91-A104 WeakPolarHBondContact OH-CA 3.38Å; Y91-A104 PolarHBondContact OH-O 3.26Å; R100-A104 WeakPolarHBondContact O-CB 3.45Å; R100-A104 PolarHBondContact O-N 3.5Å; L101-A104 PolarHBondContact O-N 3.39Å; A104-E107 PolarHBondContact O-N 3.38Å; A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.32Å; A104-L108 PolarHBondContact O-N 2.76Å; A104-L144 HydrophobicContact CB-CD2 4.18Å
105K98.8Very high97.7Very high46 Ų4651 Ų5120%0.227%0.265CS..Hα-helixtrans-55.2-53.1173.1175.2-163176.3-169.70111L101 E102 E103 E107 L108 H109 Q143 L144L101-K105 WeakPolarHBondContact O-CB 3.37Å; L101-K105 PolarHBondContact O-N 3.31Å; E102-K105 WeakPolarHBondContact OE1-CD 3.33Å; E102-K105 IonicContact OE1-NZ 3.18Å; E102-K105 PolarHBondContact OE1-NZ 2.85Å; E102-K105 WeakPolarHBondContact OE2-CD 3.36Å; E102-K105 IonicContact OE2-NZ 3.1Å; E102-K105 PolarHBondContact OE2-NZ 2.68Å; E103-K105 PolarHBondContact O-N 3.47Å; K105-E107 VanDerWaalsContact C-N 3.31Å; K105-E107 PolarHBondContact O-N 3.47Å; K105-L108 PolarHBondContact O-N 3.01Å; K105-H109 WeakPolarHBondContact O-CB 3.18Å; K105-H109 PolarHBondContact O-CD2 3.28Å; K105-H109 PolarHBondContact O-N 3.14Å; K105-Q143 WeakPolarHBondContact CD-O 3.44Å; K105-L144 HydrophobicContact CB-CD2 4.08Å
106T98.6Very high97.4Very high76 Ų7654.4 Ų54.447%0.46628%0.281SS..Hα-helixtrans-55.1-47.6-177.7-64.10000111.4E102 E103 K110E102-T106 WeakPolarHBondContact O-CB 3.48Å; E102-T106 PolarHBondContact O-N 3.39Å; E102-T106 PolarHBondContact O-OG1 3.3Å; E103-T106 PolarHBondContact O-N 2.89Å; T106-K110 WeakPolarHBondContact O-CB 3.29Å; T106-K110 PolarHBondContact O-N 2.89Å; T106-K110 VanDerWaalsContact O-N 3.09Å
107E98.7Very high97.3Very high28 Ų2852.1 Ų52.113%0.13127%0.267CS..Hα-helixtrans-72.1-35.3179.5-69.1-63.7134.500113W79 E103 A104 K105 K110 V111W79-E107 HydrophobicContact CH2-CB 4.35Å; W79-E107 HydrophobicContact CZ3-CB 3.72Å; E103-E107 PolarHBondContact O-N 2.91Å; A104-E107 PolarHBondContact O-N 3.38Å; K105-E107 VanDerWaalsContact C-N 3.31Å; K105-E107 PolarHBondContact O-N 3.47Å; E107-K110 PolarHBondContact O-N 3.36Å; E107-K110 IonicContact OE1-NZ 2.62Å; E107-K110 PolarHBondContact OE1-NZ 3.29Å; E107-K110 IonicContact OE2-NZ 2.71Å; E107-K110 PolarHBondContact OE2-NZ 2.9Å; E107-V111 WeakPolarHBondContact O-CG2 3.39Å; E107-V111 PolarHBondContact O-N 3.2Å
108L98.7Very high97Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-61.2-47.6173.5174.361.8000111.8Y91 A104 K105 K110 V111 T112 L122 L144 L146Y91-L108 HydrophobicContact CD1-CB 4.42Å; Y91-L108 HydrophobicContact CD1-CD1 4.16Å; Y91-L108 HydrophobicContact CD1-CD2 4.35Å; Y91-L108 HydrophobicContact CD2-CB 4.35Å; Y91-L108 HydrophobicContact CD2-CD1 3.67Å; Y91-L108 HydrophobicContact CE1-CB 4.06Å; Y91-L108 HydrophobicContact CE2-CB 3.96Å; Y91-L108 HydrophobicContact CE2-CD1 4.14Å; Y91-L108 HydrophobicContact CG-CD1 3.69Å; A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.32Å; A104-L108 PolarHBondContact O-N 2.76Å; K105-L108 PolarHBondContact O-N 3.01Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 2.82Å; L108-V111 PolarHBondContact O-N 3.24Å; L108-T112 HydrophobicContact CD1-CG2 4.14Å; L108-T112 WeakPolarHBondContact O-CG2 3.3Å; L108-T112 PolarHBondContact O-N 3.45Å; L108-T112 PolarHBondContact O-OG1 3.08Å; L108-T112 VanDerWaalsContact O-OG1 3.08Å; L108-L122 HydrophobicContact CD1-CD1 3.84Å; L108-L122 HydrophobicContact CD1-CD2 3.78Å; L108-L122 HydrophobicContact CD1-CG 4.47Å; L108-L122 HydrophobicContact CD2-CD2 4.33Å; L108-L122 HydrophobicContact CG-CD2 4.47Å; L108-L144 HydrophobicContact CD2-CB 4.41Å; L108-L144 HydrophobicContact CD2-CD1 4.36Å; L108-L146 HydrophobicContact CD2-CD2 3.5Å; L108-L146 VanDerWaalsContact CD2-CD2 3.5Å
109H98.4Very high96.9Very high19 Ų1951.4 Ų51.49%0.08826%0.262CS..Hα-helixtrans-62.7-38178.3-86.1-97.7000111.6K105 T112 K113 L144 A145K105-H109 WeakPolarHBondContact O-CB 3.18Å; K105-H109 PolarHBondContact O-CD2 3.28Å; K105-H109 PolarHBondContact O-N 3.14Å; H109-T112 WeakPolarHBondContact CA-OG1 3.29Å; H109-T112 PolarHBondContact O-OG1 3.28Å; H109-T112 VanDerWaalsContact O-OG1 3.07Å; H109-K113 WeakPolarHBondContact O-CB 3.41Å; H109-K113 WeakPolarHBondContact O-CD 3.21Å; H109-K113 WeakPolarHBondContact O-CG 3.29Å; H109-K113 PolarHBondContact O-N 2.92Å; H109-K113 VanDerWaalsContact O-N 3.16Å; H109-L144 PolarHBondContact NE2-O 3.38Å; H109-A145 PolarHBondContact NE2-O 3.07Å
110K97.6Very high96.9Very high95 Ų9544.1 Ų44.141%0.41322%0.223SC..Hα-helixtrans-63-46173.5179.9-178.4171.4-168.10112T106 E107 L108 K113 F114T106-K110 WeakPolarHBondContact O-CB 3.29Å; T106-K110 PolarHBondContact O-N 2.89Å; T106-K110 VanDerWaalsContact O-N 3.09Å; E107-K110 PolarHBondContact O-N 3.36Å; E107-K110 IonicContact OE1-NZ 2.62Å; E107-K110 PolarHBondContact OE1-NZ 3.29Å; E107-K110 IonicContact OE2-NZ 2.71Å; E107-K110 PolarHBondContact OE2-NZ 2.9Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 2.82Å; K110-K113 PolarHBondContact O-N 3.33Å; K110-F114 HydrophobicContact CG-CE1 4Å; K110-F114 HydrophobicContact CG-CZ 3.94Å; K110-F114 WeakPolarHBondContact O-CD1 3.37Å; K110-F114 WeakPolarHBondContact O-CE1 3.49Å; K110-F114 PolarHBondContact O-N 2.95Å
111V97.6Very high96.9Very high1 Ų141.3 Ų41.31%0.00621%0.212CC..Hα-helixtrans-60.7-47.71781680000111.5L19 W79 I89 E107 L108 K113 F114 N117L19-V111 HydrophobicContact CD1-CG1 3.77Å; L19-V111 HydrophobicContact CD1-CG2 4.06Å; W79-V111 HydrophobicContact CB-CG2 4.42Å; W79-V111 HydrophobicContact CE3-CG2 3.63Å; W79-V111 HydrophobicContact CZ3-CG2 4.29Å; I89-V111 HydrophobicContact CD1-CG1 4.12Å; E107-V111 WeakPolarHBondContact O-CG2 3.39Å; E107-V111 PolarHBondContact O-N 3.2Å; L108-V111 PolarHBondContact O-N 3.24Å; V111-K113 PolarHBondContact O-N 3.33Å; V111-F114 HydrophobicContact CB-CE2 4.44Å; V111-F114 HydrophobicContact CG2-CE2 4.18Å; V111-F114 WeakPolarHBondContact O-CD2 3.32Å; V111-F114 PolarHBondContact O-N 3.38Å; V111-N117 WeakPolarHBondContact CG1-ND2 3.47Å; V111-N117 PolarHBondContact O-ND2 3.07Å
112T96.4Very high96.9Very high5 Ų541.2 Ų41.23%0.03121%0.212CC..Hα-helixtrans-69.3-22.1-177.953.10000113L108 H109 Q118 L122 L149 T153L108-T112 HydrophobicContact CD1-CG2 4.14Å; L108-T112 WeakPolarHBondContact O-CG2 3.3Å; L108-T112 PolarHBondContact O-N 3.45Å; L108-T112 PolarHBondContact O-OG1 3.08Å; L108-T112 VanDerWaalsContact O-OG1 3.08Å; H109-T112 WeakPolarHBondContact CA-OG1 3.29Å; H109-T112 PolarHBondContact O-OG1 3.28Å; H109-T112 VanDerWaalsContact O-OG1 3.07Å; T112-Q118 PolarHBondContact O-NE2 3.3Å; T112-L122 HydrophobicContact CG2-CD2 4.27Å; T112-L149 HydrophobicContact CG2-CD2 4.1Å; T112-L149 WeakPolarHBondContact OG1-CD2 3.33Å; T112-T153 HydrophobicContact CG2-CG2 4.21Å
113K95.5Very high96.9Very high140 Ų14036 Ų3661%0.60919%0.188SC*.Hα-helixtrans-80.3-12.4174.6-74.7172.3-174.71760114.3H109 K110 V111 A115H109-K113 WeakPolarHBondContact O-CB 3.41Å; H109-K113 WeakPolarHBondContact O-CD 3.21Å; H109-K113 WeakPolarHBondContact O-CG 3.29Å; H109-K113 PolarHBondContact O-N 2.92Å; H109-K113 VanDerWaalsContact O-N 3.16Å; K110-K113 PolarHBondContact O-N 3.33Å; V111-K113 PolarHBondContact O-N 3.33Å; K113-A115 PolarHBondContact O-N 3.28Å
114F95.5Very high96.9Very high36 Ų3633 Ų3316%0.15817%0.173CC..SBendtrans-60137.5174.4-61.4-31.2000110.8K80 K110 V111 E116 N117 Q118K80-F114 HydrophobicContact CB-CD2 4.11Å; K80-F114 HydrophobicContact CB-CE2 3.61Å; K80-F114 HydrophobicContact CB-CZ 3.85Å; K80-F114 HydrophobicContact CD-CE1 4.37Å; K80-F114 HydrophobicContact CG-CD1 4.47Å; K80-F114 HydrophobicContact CG-CD2 4.06Å; K80-F114 HydrophobicContact CG-CE1 4.43Å; K80-F114 HydrophobicContact CG-CE2 4.02Å; K80-F114 HydrophobicContact CG-CG 4.3Å; K80-F114 HydrophobicContact CG-CZ 4.22Å; K110-F114 HydrophobicContact CG-CE1 4Å; K110-F114 HydrophobicContact CG-CZ 3.94Å; K110-F114 WeakPolarHBondContact O-CD1 3.37Å; K110-F114 WeakPolarHBondContact O-CE1 3.49Å; K110-F114 PolarHBondContact O-N 2.95Å; V111-F114 HydrophobicContact CB-CE2 4.44Å; V111-F114 HydrophobicContact CG2-CE2 4.18Å; V111-F114 WeakPolarHBondContact O-CD2 3.32Å; V111-F114 PolarHBondContact O-N 3.38Å; F114-E116 PolarHBondContact O-N 3.42Å; F114-N117 HydrophobicContact CB-CB 4.3Å; F114-N117 PolarHBondContact O-N 3.46Å; F114-Q118 PolarHBondContact O-N 3Å; F114-Q118 PolarHBondContact O-NE2 3.11Å
115A93.9Very high96.9Very high81 Ų8133 Ų3367%0.66917%0.173SC*.G310 helixtrans-59.2-38.3-177.200000111.3K113 N117 Q118K113-A115 PolarHBondContact O-N 3.28Å; A115-N117 PolarHBondContact O-N 2.93Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å; A115-Q118 PolarHBondContact O-N 2.86Å
116E92.8Very high96.9Very high70 Ų7030.8 Ų30.833%0.32716%0.163SC..G310 helixtrans-68.4-18.2178.6-56.996.2136.300113.5R84 F114R84-E116 HydrophobicContact CG-CB 4.16Å; R84-E116 HydrophobicContact CG-CG 4.13Å; R84-E116 IonicContact CZ-OE1 2.68Å; R84-E116 IonicContact NE-OE1 3.23Å; R84-E116 PolarHBondContact NE-OE1 3.5Å; R84-E116 IonicContact NH2-OE1 3.68Å; R84-E116 PolarHBondContact NH2-OE1 3.25Å; F114-E116 PolarHBondContact O-N 3.42Å
117N95.6Very high96.9Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..G310 helixtrans-99.7-0.1-179-67-8.1000112.9S83 I89 V111 F114 A115 G119 T120S83-N117 WeakPolarHBondContact CB-OD1 3.4Å; S83-N117 PolarHBondContact O-OD1 2.87Å; S83-N117 VanDerWaalsContact O-OD1 3.12Å; S83-N117 PolarHBondContact OG-ND2 3.19Å; S83-N117 PolarHBondContact OG-OD1 3.39Å; I89-N117 HydrophobicContact CD1-CB 4.31Å; V111-N117 WeakPolarHBondContact CG1-ND2 3.47Å; V111-N117 PolarHBondContact O-ND2 3.07Å; F114-N117 HydrophobicContact CB-CB 4.3Å; F114-N117 PolarHBondContact O-N 3.46Å; A115-N117 PolarHBondContact O-N 2.93Å; N117-G119 PolarHBondContact O-N 2.64Å; N117-T120 VanDerWaalsContact O-CB 3.3Å; N117-T120 WeakPolarHBondContact O-CB 3.45Å; N117-T120 PolarHBondContact O-N 2.87Å; N117-T120 PolarHBondContact O-OG1 2.79Å
118Q93.1Very high96.9Very high75 Ų7528.4 Ų28.435%0.3515%0.146SC..THydrogen-bonded Turntrans-59.9123.5-177.1-70.3-56.3-49.500112T112 F114 A115 T120 R182T112-Q118 PolarHBondContact O-NE2 3.3Å; F114-Q118 PolarHBondContact O-N 3Å; F114-Q118 PolarHBondContact O-NE2 3.11Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å; A115-Q118 PolarHBondContact O-N 2.86Å; Q118-T120 PolarHBondContact O-N 2.88Å; Q118-R182 PolarHBondContact O-NH2 3.43Å; Q118-R182 VanDerWaalsContact O-NH2 3.07Å
119G93.3Very high96.9Very high13 Ų1331 Ų3113%0.13416%0.158CC..THydrogen-bonded Turntrans69.79.2-176.500000115.4N117 S152 R182N117-G119 PolarHBondContact O-N 2.64Å; G119-S152 VanDerWaalsContact CA-O 3.32Å; G119-S152 WeakPolarHBondContact CA-O 3.4Å; G119-R182 WeakPolarHBondContact O-CD 3.42Å; G119-R182 VanDerWaalsContact O-CZ 3.3Å; G119-R182 PolarHBondContact O-NE 2.99Å
120T97.4Very high96.9Very high3 Ų333.6 Ų33.62%0.01817%0.173CC..  trans-70.6127.4171.9-62.90000109.6I89 N117 Q118 R182I89-T120 HydrophobicContact CD1-CG2 4.03Å; I89-T120 HydrophobicContact CG1-CG2 3.86Å; N117-T120 VanDerWaalsContact O-CB 3.3Å; N117-T120 WeakPolarHBondContact O-CB 3.45Å; N117-T120 PolarHBondContact O-N 2.87Å; N117-T120 PolarHBondContact O-OG1 2.79Å; Q118-T120 PolarHBondContact O-N 2.88Å; T120-R182 VanDerWaalsContact CA-CZ 3.47Å; T120-R182 PolarHBondContact OG1-NH1 2.95Å; T120-R182 PolarHBondContact OG1-NH2 3.12Å
121P98.3Very high96.9Very high0 Ų032.4 Ų32.40%017%0.171CC..  trans-63.4140.7-179.9-22.636.7000111.8D87 I89 T154 L175 M178 I179 R182D87-P121 VanDerWaalsContact O-CD 3.23Å; D87-P121 WeakPolarHBondContact O-CD 3.4Å; I89-P121 PolarHBondContact N-O 3.34Å; P121-T154 WeakPolarHBondContact CA-O 3.37Å; P121-L175 HydrophobicContact CB-CD1 4.1Å; P121-M178 HydrophobicContact CB-CB 3.63Å; P121-M178 HydrophobicContact CB-CE 4.16Å; P121-M178 HydrophobicContact CB-SD 4.29Å; P121-M178 HydrophobicContact CG-CB 3.97Å; P121-I179 HydrophobicContact CG-CG1 4.07Å; P121-R182 HydrophobicContact CG-CB 4.49Å
122L98.8Very high96.9Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-115.2114.9-177.8172.766.5000110.3I89 L108 T112 V124 L149 T153 T154 Y155 H156I89-L122 HydrophobicContact CB-CD1 4.28Å; I89-L122 HydrophobicContact CG2-CD1 3.94Å; I89-L122 WeakPolarHBondContact O-CA 3.48Å; L108-L122 HydrophobicContact CD1-CD1 3.84Å; L108-L122 HydrophobicContact CD1-CD2 3.78Å; L108-L122 HydrophobicContact CD1-CG 4.47Å; L108-L122 HydrophobicContact CD2-CD2 4.33Å; L108-L122 HydrophobicContact CG-CD2 4.47Å; T112-L122 HydrophobicContact CG2-CD2 4.27Å; L122-V124 HydrophobicContact CD1-CG2 4.36Å; L122-V124 HydrophobicContact CD2-CG2 4.03Å; L122-V124 HydrophobicContact CG-CG2 3.98Å; L122-L149 HydrophobicContact CD2-CD1 3.7Å; L122-T153 HydrophobicContact CB-CG2 4.22Å; L122-T154 PolarHBondContact N-O 3.22Å; L122-Y155 CarbonylContact O-C 3.51Å; L122-Y155 WeakPolarHBondContact O-CA 3.22Å; L122-Y155 WeakPolarHBondContact O-CB 3.43Å; L122-H156 PolarHBondContact O-N 3.47Å
123L98.9Very high96.8Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-95.7117.5165.317666.5000108.8I89 I90 Y91 I125 H156 Q158 G171 L175I89-L123 PolarHBondContact O-N 3.3Å; I90-L123 CarbonylContact C-O 3.49Å; I90-L123 VanDerWaalsContact CA-O 3.29Å; I90-L123 WeakPolarHBondContact CA-O 3.36Å; I90-L123 HydrophobicContact CD1-CD2 4.29Å; I90-L123 HydrophobicContact CG1-CB 4.31Å; I90-L123 HydrophobicContact CG1-CD2 4.13Å; Y91-L123 PolarHBondContact N-O 3.26Å; L123-I125 HydrophobicContact CD1-CD1 4.33Å; L123-I125 HydrophobicContact CD2-CD1 3.64Å; L123-I125 HydrophobicContact CD2-CG1 4.31Å; L123-I125 HydrophobicContact CG-CD1 3.84Å; L123-I125 HydrophobicContact CG-CG1 4.32Å; L123-H156 HydrophobicContact CD1-CB 4.33Å; L123-Q158 HydrophobicContact CD1-CB 4.06Å; L123-G171 VanDerWaalsContact CD2-O 3.28Å; L123-G171 WeakPolarHBondContact CD2-O 3.46Å; L123-L175 HydrophobicContact CB-CB 4.18Å; L123-L175 HydrophobicContact CB-CD1 4.12Å; L123-L175 HydrophobicContact CB-CD2 4.31Å; L123-L175 HydrophobicContact CB-CG 4.43Å; L123-L175 HydrophobicContact CD2-CB 4.12Å; L123-L175 HydrophobicContact CD2-CD2 4.34Å
124V98.9Very high97Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-92.3120.3169.9-178.60000108.3Y91 V93 L122 L144 L146 H156 V157 Q158Y91-V124 CarbonylContact O-C 3.58Å; Y91-V124 VanDerWaalsContact O-CA 3.32Å; Y91-V124 WeakPolarHBondContact O-CA 3.5Å; V93-V124 HydrophobicContact CG2-CG1 3.97Å; L122-V124 HydrophobicContact CD1-CG2 4.36Å; L122-V124 HydrophobicContact CD2-CG2 4.03Å; L122-V124 HydrophobicContact CG-CG2 3.98Å; V124-L144 HydrophobicContact CG1-CD1 3.91Å; V124-L146 HydrophobicContact CG2-CD1 3.98Å; V124-L146 HydrophobicContact CG2-CD2 4.36Å; V124-H156 PolarHBondContact N-O 2.78Å; V124-V157 HydrophobicContact CB-CB 4.43Å; V124-V157 HydrophobicContact CB-CG1 4.08Å; V124-V157 HydrophobicContact CB-CG2 4.21Å; V124-V157 HydrophobicContact CG1-CG1 4.03Å; V124-V157 CarbonylContact O-C 3.46Å; V124-V157 WeakPolarHBondContact O-CA 3Å; V124-Q158 PolarHBondContact O-N 3.12Å
125I98.9Very high97.1Very high4 Ų440.3 Ų40.32%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-94.3107.2172.5-61.3-63.1000107.5V29 I90 Y91 V92 V93 L123 N127 Q158 C160V29-I125 HydrophobicContact CG2-CG2 4.43Å; I90-I125 HydrophobicContact CG2-CG1 3.65Å; Y91-I125 PolarHBondContact O-N 3.06Å; V92-I125 HydrophobicContact CG1-CB 4.35Å; V92-I125 HydrophobicContact CG1-CG2 4.29Å; V92-I125 HydrophobicContact CG2-CB 4.26Å; V93-I125 PolarHBondContact N-O 2.82Å; L123-I125 HydrophobicContact CD1-CD1 4.33Å; L123-I125 HydrophobicContact CD2-CD1 3.64Å; L123-I125 HydrophobicContact CD2-CG1 4.31Å; L123-I125 HydrophobicContact CG-CD1 3.84Å; L123-I125 HydrophobicContact CG-CG1 4.32Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 HydrophobicContact CG2-CB 4.05Å; I125-N127 PolarHBondContact O-N 3.46Å; I125-N127 VanDerWaalsContact O-N 3.11Å; I125-Q158 HydrophobicContact CD1-CB 4.18Å; I125-C160 HydrophobicContact CG2-CB 3.64Å
126A98.8Very high97.3Very high0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-77.786.8168.600000108.1S95 Q129 V137 I140 V157 Q158 C160S95-A126 VanDerWaalsContact OG-C 3.22Å; A126-Q129 VanDerWaalsContact O-CG 3.29Å; A126-Q129 WeakPolarHBondContact O-CG 3.13Å; A126-V137 HydrophobicContact CB-CG2 4.47Å; A126-I140 HydrophobicContact CB-CD1 3.43Å; A126-I140 VanDerWaalsContact CB-CD1 3.43Å; A126-V157 HydrophobicContact CB-CG1 4.25Å; A126-Q158 PolarHBondContact N-O 2.98Å; A126-C160 PolarHBondContact O-N 3.42Å
127N98.8Very high97.5Very high5 Ų538.2 Ų38.23%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-86.9165-170.7-165.828.1000112.3A24 V92 V93 S95 I125 C160 A162A24-N127 PolarHBondContact O-ND2 2.8Å; V92-N127 HydrophobicContact CG1-CB 3.85Å; V93-N127 WeakPolarHBondContact O-CB 3.48Å; V93-N127 PolarHBondContact O-N 3.25Å; S95-N127 WeakPolarHBondContact CB-O 3.38Å; S95-N127 PolarHBondContact N-O 3.04Å; S95-N127 PolarHBondContact OG-N 2.79Å; S95-N127 PolarHBondContact OG-O 2.99Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 HydrophobicContact CG2-CB 4.05Å; I125-N127 PolarHBondContact O-N 3.46Å; I125-N127 VanDerWaalsContact O-N 3.11Å; N127-C160 CarbonylContact C-O 3.58Å; N127-C160 WeakPolarHBondContact CA-O 3.46Å; N127-A162 VanDerWaalsContact OD1-CB 3.31Å; N127-A162 WeakPolarHBondContact OD1-CB 3.47Å; N127-A162 PolarHBondContact OD1-N 3.19Å
128K98.6Very high97.7Very high48 Ų4841.3 Ų41.321%0.20923%0.23CC..  trans67.134.7178.6-44.5-168.1-168.2175.40113.8S23 D94 V96 D130 L131 C160S23-K128 VanDerWaalsContact O-CE 3.27Å; S23-K128 WeakPolarHBondContact O-CE 3.39Å; S23-K128 PolarHBondContact O-NZ 3.39Å; D94-K128 WeakPolarHBondContact OD1-CD 3.41Å; D94-K128 IonicContact OD1-NZ 3.35Å; D94-K128 VanDerWaalsContact OD2-CE 3.25Å; D94-K128 WeakPolarHBondContact OD2-CE 3.33Å; D94-K128 IonicContact OD2-NZ 2.86Å; D94-K128 PolarHBondContact OD2-NZ 3.19Å; V96-K128 HydrophobicContact CG2-CB 4.47Å; K128-D130 VanDerWaalsContact C-OD1 3.28Å; K128-D130 VanDerWaalsContact CA-OD1 3.27Å; K128-D130 WeakPolarHBondContact CA-OD1 3.44Å; K128-D130 PolarHBondContact O-N 2.89Å; K128-L131 HydrophobicContact CB-CD1 3.95Å; K128-L131 HydrophobicContact CB-CG 4.26Å; K128-L131 HydrophobicContact CD-CD1 3.99Å; K128-L131 PolarHBondContact O-N 3.16Å; K128-C160 PolarHBondContact N-O 3.18Å; K128-C160 VanDerWaalsContact N-O 3.12Å
129Q98.6Very high97.9Very high55 Ų5541.1 Ų41.126%0.25723%0.232SC..THydrogen-bonded Turntrans-67.2-14.5177.7-69.6-73.1-40.800113S95 A126 L131 S134 L135 P159 C160S95-Q129 VanDerWaalsContact CB-NE2 3.29Å; S95-Q129 PolarHBondContact OG-NE2 2.94Å; A126-Q129 VanDerWaalsContact O-CG 3.29Å; A126-Q129 WeakPolarHBondContact O-CG 3.13Å; Q129-L131 VanDerWaalsContact C-N 3.29Å; Q129-L131 PolarHBondContact O-N 3.4Å; Q129-S134 PolarHBondContact O-OG 3.41Å; Q129-L135 PolarHBondContact NE2-O 3.29Å; Q129-P159 HydrophobicContact CG-CB 4.04Å; Q129-C160 PolarHBondContact N-O 2.99Å
130D98Very high98.2Very high74 Ų7440.5 Ų40.540%0.39623%0.225SC..THydrogen-bonded Turntrans-70.1-21.4172.358.5-63.1000114.1K128 C161 I163K128-D130 VanDerWaalsContact C-OD1 3.28Å; K128-D130 VanDerWaalsContact CA-OD1 3.27Å; K128-D130 WeakPolarHBondContact CA-OD1 3.44Å; K128-D130 PolarHBondContact O-N 2.89Å; D130-C161 HydrophobicContact CB-CB 4.34Å; D130-C161 PolarHBondContact OD1-SG 2.87Å; D130-I163 WeakPolarHBondContact OD2-CD1 3.5Å
131L98.1Very high98.2Very high70 Ų7043.7 Ų43.737%0.36624%0.24SC..SBendtrans-84.6146.9-174.9-65.2-176.6000112.1V96 K128 Q129 S134V96-L131 HydrophobicContact CG2-CB 3.63Å; V96-L131 HydrophobicContact CG2-CD1 3.94Å; V96-L131 HydrophobicContact CG2-CG 4.39Å; K128-L131 HydrophobicContact CB-CD1 3.95Å; K128-L131 HydrophobicContact CB-CG 4.26Å; K128-L131 HydrophobicContact CD-CD1 3.99Å; K128-L131 PolarHBondContact O-N 3.16Å; Q129-L131 VanDerWaalsContact C-N 3.29Å; Q129-L131 PolarHBondContact O-N 3.4Å; L131-S134 WeakPolarHBondContact O-CB 3.28Å; L131-S134 PolarHBondContact O-N 3.17Å; L131-S134 PolarHBondContact O-OG 3.21Å; L131-S134 VanDerWaalsContact O-OG 3.07Å
132P96.4Very high98.3Very high103 Ų10351.1 Ų51.167%0.66927%0.272SS*.THydrogen-bonded Turntrans-62145.1172.928.1-34.7000110.2S134P132-S134 PolarHBondContact O-N 2.94Å
133K95.8Very high98.2Very high187 Ų18754.3 Ų54.381%0.81329%0.287SS*.THydrogen-bonded Turntrans67.712.3-176.8-46.1174.5178.8178.60114.7L135K133-L135 PolarHBondContact O-N 3.5Å
134S97.9Very high98.2Very high29 Ų2954.3 Ų54.320%0.20329%0.287CS..PPolyproline II helixtrans-56.2132.4166.758.90000109.7Q129 L131 P132Q129-S134 PolarHBondContact O-OG 3.41Å; L131-S134 WeakPolarHBondContact O-CB 3.28Å; L131-S134 PolarHBondContact O-N 3.17Å; L131-S134 PolarHBondContact O-OG 3.21Å; L131-S134 VanDerWaalsContact O-OG 3.07Å; P132-S134 PolarHBondContact O-N 2.94Å
135L98.3Very high98.2Very high28 Ų2854.5 Ų54.515%0.14729%0.289CS..PPolyproline II helixtrans-71.8140.1178.9-71.2-177.1000110.8S95 V98 L101 Q129 K133 D139 I140 Q143S95-L135 WeakPolarHBondContact O-CG 3.44Å; S95-L135 PolarHBondContact O-N 2.97Å; V98-L135 HydrophobicContact CG2-CD1 4.03Å; V98-L135 HydrophobicContact CG2-CD2 4.26Å; V98-L135 HydrophobicContact CG2-CG 4.11Å; L101-L135 HydrophobicContact CD1-CD1 3.36Å; Q129-L135 PolarHBondContact NE2-O 3.29Å; K133-L135 PolarHBondContact O-N 3.5Å; L135-D139 HydrophobicContact CB-CB 4.48Å; L135-I140 HydrophobicContact CB-CD1 4.15Å; L135-I140 HydrophobicContact CB-CG1 3.8Å; L135-I140 HydrophobicContact CD1-CG1 4.31Å; L135-Q143 VanDerWaalsContact CD1-NE2 3.27Å
136P98.1Very high98.2Very high71 Ų7154.3 Ų54.346%0.46129%0.288SS..PPolyproline II helixtrans-56.3149166-22.532.5000111.7A138 D139 I140P136-A138 PolarHBondContact O-N 2.83Å; P136-D139 WeakPolarHBondContact CD-OD2 3.46Å; P136-D139 PolarHBondContact O-N 2.85Å; P136-I140 PolarHBondContact O-N 3.3Å; P136-I140 VanDerWaalsContact O-N 3.14Å
137V97.9Very high98.1Very high36 Ų3660.5 Ų60.522%0.21832%0.317CS..Hα-helixtrans-53-41.2179.4174.40000112.5A126 D139 I140 E141 V157 P159A126-V137 HydrophobicContact CB-CG2 4.47Å; V137-D139 VanDerWaalsContact C-N 3.3Å; V137-D139 PolarHBondContact O-N 3.18Å; V137-I140 PolarHBondContact O-N 2.84Å; V137-E141 WeakPolarHBondContact O-CB 3.35Å; V137-E141 PolarHBondContact O-N 3.28Å; V137-V157 HydrophobicContact CG1-CB 3.68Å; V137-V157 HydrophobicContact CG1-CG1 3.6Å; V137-P159 HydrophobicContact CG2-CB 3.55Å; V137-P159 HydrophobicContact CG2-CG 3.78Å
138A98.3Very high98Very high66 Ų6666.3 Ų66.355%0.54534%0.344SS..Hα-helixtrans-63-35.5179.200000112.7P136 K142P136-A138 PolarHBondContact O-N 2.83Å; A138-K142 WeakPolarHBondContact O-CB 3.37Å; A138-K142 PolarHBondContact O-N 2.88Å
139D98.4Very high97.9Very high71 Ų7164.8 Ų64.838%0.3834%0.337SS..Hα-helixtrans-73.8-38177.9-69-30.6000111.1L135 P136 V137 K142 Q143L135-D139 HydrophobicContact CB-CB 4.48Å; P136-D139 WeakPolarHBondContact CD-OD2 3.46Å; P136-D139 PolarHBondContact O-N 2.85Å; V137-D139 VanDerWaalsContact C-N 3.3Å; V137-D139 PolarHBondContact O-N 3.18Å; D139-K142 PolarHBondContact O-N 2.86Å; D139-Q143 WeakPolarHBondContact O-CB 3.32Å; D139-Q143 VanDerWaalsContact O-CG 3.31Å; D139-Q143 WeakPolarHBondContact O-CG 3.41Å; D139-Q143 PolarHBondContact O-N 3.49Å
140I98.7Very high97.6Very high0 Ų064 Ų640%034%0.337CS..Hα-helixtrans-62.9-47.1173.3-66.1169000110.3V93 S95 A126 L135 P136 V137 K142 Q143 L144V93-I140 HydrophobicContact CG1-CG2 4.3Å; S95-I140 WeakPolarHBondContact OG-CD1 3.27Å; A126-I140 HydrophobicContact CB-CD1 3.43Å; A126-I140 VanDerWaalsContact CB-CD1 3.43Å; L135-I140 HydrophobicContact CB-CD1 4.15Å; L135-I140 HydrophobicContact CB-CG1 3.8Å; L135-I140 HydrophobicContact CD1-CG1 4.31Å; P136-I140 PolarHBondContact O-N 3.3Å; P136-I140 VanDerWaalsContact O-N 3.14Å; V137-I140 PolarHBondContact O-N 2.84Å; I140-K142 VanDerWaalsContact C-N 3.3Å; I140-K142 PolarHBondContact O-N 3.2Å; I140-Q143 PolarHBondContact O-N 3.09Å; I140-L144 HydrophobicContact CG2-CD1 3.62Å; I140-L144 HydrophobicContact CG2-CG 4.17Å; I140-L144 WeakPolarHBondContact O-CB 3.34Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.43Å
141E98.6Very high97.3Very high70 Ų7067.2 Ų67.233%0.32736%0.361SS..Hα-helixtrans-57.4-43.5177178.1169.1-178.700112.1V137 A145 L146 Y155 V157V137-E141 WeakPolarHBondContact O-CB 3.35Å; V137-E141 PolarHBondContact O-N 3.28Å; E141-A145 PolarHBondContact O-N 2.94Å; E141-L146 HydrophobicContact CB-CD1 4.35Å; E141-L146 HydrophobicContact CG-CB 4.21Å; E141-L146 HydrophobicContact CG-CD1 4.08Å; E141-L146 HydrophobicContact CG-CG 4.35Å; E141-L146 PolarHBondContact O-N 3.32Å; E141-Y155 HydrophobicContact CG-CE2 4.48Å; E141-Y155 WeakPolarHBondContact OE1-CE2 3.36Å; E141-Y155 PolarHBondContact OE1-OH 3.18Å; E141-V157 HydrophobicContact CB-CG2 4.18Å; E141-V157 HydrophobicContact CG-CG2 4.41Å
142K98.5Very high97Very high156 Ų15666.5 Ų66.568%0.67836%0.362SS*.Hα-helixtrans-65.1-49.4176-176.8-178.4176.9-175.30111.9A138 D139 I140 L144 A145A138-K142 WeakPolarHBondContact O-CB 3.37Å; A138-K142 PolarHBondContact O-N 2.88Å; D139-K142 PolarHBondContact O-N 2.86Å; I140-K142 VanDerWaalsContact C-N 3.3Å; I140-K142 PolarHBondContact O-N 3.2Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 PolarHBondContact O-N 2.89Å; K142-A145 WeakPolarHBondContact O-CA 3.46Å; K142-A145 PolarHBondContact O-N 3.5Å
143Q98.4Very high97Very high67 Ų6762 Ų6231%0.31333%0.333SS..Hα-helixtrans-66.3-36-177.6-74.7-166.553.600112.5L101 K105 L135 D139 I140 A145L101-Q143 HydrophobicContact CD1-CB 4.41Å; K105-Q143 WeakPolarHBondContact CD-O 3.44Å; L135-Q143 VanDerWaalsContact CD1-NE2 3.27Å; D139-Q143 WeakPolarHBondContact O-CB 3.32Å; D139-Q143 VanDerWaalsContact O-CG 3.31Å; D139-Q143 WeakPolarHBondContact O-CG 3.41Å; D139-Q143 PolarHBondContact O-N 3.49Å; I140-Q143 PolarHBondContact O-N 3.09Å; Q143-A145 PolarHBondContact O-N 3.16Å
144L98.7Very high97.1Very high0 Ų055.8 Ų55.80%031%0.311CS..THydrogen-bonded Turntrans-75.8-2.8173.2-62.5176000113.3V93 L101 A104 K105 L108 H109 V124 I140 K142 L146V93-L144 HydrophobicContact CG2-CD1 3.96Å; L101-L144 HydrophobicContact CD2-CD2 4.37Å; A104-L144 HydrophobicContact CB-CD2 4.18Å; K105-L144 HydrophobicContact CB-CD2 4.08Å; L108-L144 HydrophobicContact CD2-CB 4.41Å; L108-L144 HydrophobicContact CD2-CD1 4.36Å; H109-L144 PolarHBondContact NE2-O 3.38Å; V124-L144 HydrophobicContact CG1-CD1 3.91Å; I140-L144 HydrophobicContact CG2-CD1 3.62Å; I140-L144 HydrophobicContact CG2-CG 4.17Å; I140-L144 WeakPolarHBondContact O-CB 3.34Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.43Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 PolarHBondContact O-N 2.89Å; L144-L146 HydrophobicContact CB-CD2 3.61Å; L144-L146 HydrophobicContact CB-CG 3.9Å; L144-L146 HydrophobicContact CD1-CD2 4.26Å; L144-L146 PolarHBondContact O-N 3.37Å
145A98.4Very high97.1Very high4 Ų457.8 Ų57.83%0.03331%0.314CS..THydrogen-bonded Turntrans48.146.3-177.300000112.4H109 E141 K142 Q143 H147 E148H109-A145 PolarHBondContact NE2-O 3.07Å; E141-A145 PolarHBondContact O-N 2.94Å; K142-A145 WeakPolarHBondContact O-CA 3.46Å; K142-A145 PolarHBondContact O-N 3.5Å; Q143-A145 PolarHBondContact O-N 3.16Å; A145-H147 PolarHBondContact O-N 2.95Å; A145-E148 HydrophobicContact CB-CB 4.41Å; A145-E148 HydrophobicContact CB-CG 4.11Å; A145-E148 WeakPolarHBondContact O-CB 3.31Å; A145-E148 PolarHBondContact O-N 3.27Å
146L98.3Very high97.1Very high1 Ų159 Ų591%0.00532%0.319CS..G310 helixtrans-64.5-25.9-174.2-58.6-174000112.7L108 V124 E141 L144 E148 L149 Y155 V157L108-L146 HydrophobicContact CD2-CD2 3.5Å; L108-L146 VanDerWaalsContact CD2-CD2 3.5Å; V124-L146 HydrophobicContact CG2-CD1 3.98Å; V124-L146 HydrophobicContact CG2-CD2 4.36Å; E141-L146 HydrophobicContact CB-CD1 4.35Å; E141-L146 HydrophobicContact CG-CB 4.21Å; E141-L146 HydrophobicContact CG-CD1 4.08Å; E141-L146 HydrophobicContact CG-CG 4.35Å; E141-L146 PolarHBondContact O-N 3.32Å; L144-L146 HydrophobicContact CB-CD2 3.61Å; L144-L146 HydrophobicContact CB-CG 3.9Å; L144-L146 HydrophobicContact CD1-CD2 4.26Å; L144-L146 PolarHBondContact O-N 3.37Å; L146-E148 PolarHBondContact O-N 3.47Å; L146-L149 HydrophobicContact CB-CD1 4.33Å; L146-L149 HydrophobicContact CD2-CD1 4Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; L146-L149 VanDerWaalsContact O-CG 3.28Å; L146-L149 WeakPolarHBondContact O-CG 3.48Å; L146-L149 PolarHBondContact O-N 3.27Å; L146-Y155 HydrophobicContact CB-CD1 4.36Å; L146-Y155 HydrophobicContact CB-CD2 4.08Å; L146-Y155 HydrophobicContact CB-CE1 3.96Å; L146-Y155 HydrophobicContact CB-CE2 3.67Å; L146-Y155 HydrophobicContact CB-CG 4.41Å; L146-Y155 HydrophobicContact CD1-CD2 3.77Å; L146-Y155 HydrophobicContact CD1-CE2 3.89Å; L146-Y155 HydrophobicContact CD1-CG 4.46Å; L146-Y155 HydrophobicContact CG-CE2 4.44Å; L146-Y155 WeakPolarHBondContact O-CE1 3.4Å; L146-V157 HydrophobicContact CD1-CG2 3.33Å
147H96.9Very high97.1Very high130 Ų13056.1 Ų56.160%0.60230%0.3SS*.G310 helixtrans-65.4-18.4173.468.5-81.2000113.8A145A145-H147 PolarHBondContact O-N 2.95Å
148E97.4Very high97.2Very high127 Ų12755.5 Ų55.559%0.59330%0.295SS*.G310 helixtrans-91.2-2176.7-58.6-179.3179.400113A145 L146A145-E148 HydrophobicContact CB-CB 4.41Å; A145-E148 HydrophobicContact CB-CG 4.11Å; A145-E148 WeakPolarHBondContact O-CB 3.31Å; A145-E148 PolarHBondContact O-N 3.27Å; L146-E148 PolarHBondContact O-N 3.47Å
149L96.6Very high97.2Very high15 Ų1554.9 Ų54.98%0.07929%0.286CS..SBendtrans-62.7159.4174.3-64.8178.4000111T112 L122 L146 T153 Y155T112-L149 HydrophobicContact CG2-CD2 4.1Å; T112-L149 WeakPolarHBondContact OG1-CD2 3.33Å; L122-L149 HydrophobicContact CD2-CD1 3.7Å; L146-L149 HydrophobicContact CB-CD1 4.33Å; L146-L149 HydrophobicContact CD2-CD1 4Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; L146-L149 VanDerWaalsContact O-CG 3.28Å; L146-L149 WeakPolarHBondContact O-CG 3.48Å; L146-L149 PolarHBondContact O-N 3.27Å; L149-T153 HydrophobicContact CD1-CG2 4.22Å; L149-Y155 HydrophobicContact CD1-CD1 4.05Å
150T92.6Very high97.2Very high40 Ų4051.6 Ų51.625%0.24527%0.268CS..  trans-58.3140.2178.959.70000110.1S152 T153T150-S152 PolarHBondContact O-N 3.24Å; T150-S152 PolarHBondContact OG1-OG 2.88Å; T150-T153 WeakPolarHBondContact O-CB 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact OG1-OG1 2.98Å
151P91.6Very high97.2Very high140 Ų14051.7 Ų51.791%0.90927%0.268SS*.THydrogen-bonded Turntrans-59-18-177.6-28.135.2000115
152S91.9Very high97.2Very high55 Ų5548.4 Ų48.439%0.38525%0.254SS..THydrogen-bonded Turntrans-77-23.9174.5580000113G119 T150 T154G119-S152 VanDerWaalsContact CA-O 3.32Å; G119-S152 WeakPolarHBondContact CA-O 3.4Å; T150-S152 PolarHBondContact O-N 3.24Å; T150-S152 PolarHBondContact OG1-OG 2.88Å; S152-T154 PolarHBondContact O-N 2.98Å
153T95Very high97.2Very high9 Ų944.7 Ų44.76%0.05524%0.24CC..  trans-83.393.3-177.3-57.70000109.9T112 L122 L149 T150T112-T153 HydrophobicContact CG2-CG2 4.21Å; L122-T153 HydrophobicContact CB-CG2 4.22Å; L149-T153 HydrophobicContact CD1-CG2 4.22Å; T150-T153 WeakPolarHBondContact O-CB 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact OG1-OG1 2.98Å
154T97.5Very high97.1Very high57 Ų5746.4 Ų46.435%0.3525%0.25SS..  trans-70.9132.7170.557.50000110P121 L122 S152P121-T154 WeakPolarHBondContact CA-O 3.37Å; L122-T154 PolarHBondContact N-O 3.22Å; S152-T154 PolarHBondContact O-N 2.98Å
155Y98.6Very high97Very high71 Ų7147 Ų4728%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-130.5161.8177.367.4-93000113.4L122 E141 L146 L149 V157L122-Y155 CarbonylContact O-C 3.51Å; L122-Y155 WeakPolarHBondContact O-CA 3.22Å; L122-Y155 WeakPolarHBondContact O-CB 3.43Å; E141-Y155 HydrophobicContact CG-CE2 4.48Å; E141-Y155 WeakPolarHBondContact OE1-CE2 3.36Å; E141-Y155 PolarHBondContact OE1-OH 3.18Å; L146-Y155 HydrophobicContact CB-CD1 4.36Å; L146-Y155 HydrophobicContact CB-CD2 4.08Å; L146-Y155 HydrophobicContact CB-CE1 3.96Å; L146-Y155 HydrophobicContact CB-CE2 3.67Å; L146-Y155 HydrophobicContact CB-CG 4.41Å; L146-Y155 HydrophobicContact CD1-CD2 3.77Å; L146-Y155 HydrophobicContact CD1-CE2 3.89Å; L146-Y155 HydrophobicContact CD1-CG 4.46Å; L146-Y155 HydrophobicContact CG-CE2 4.44Å; L146-Y155 WeakPolarHBondContact O-CE1 3.4Å; L149-Y155 HydrophobicContact CD1-CD1 4.05Å; Y155-V157 HydrophobicContact CD2-CG2 4.36Å
156H98.8Very high97Very high52 Ų5253 Ų5324%0.24128%0.284CS..EExtended strand (participates in β ladder)trans-141.1139.4168.1178.274.4000108.6L122 L123 V124 Q158 K174 M178L122-H156 PolarHBondContact O-N 3.47Å; L123-H156 HydrophobicContact CD1-CB 4.33Å; V124-H156 PolarHBondContact N-O 2.78Å; H156-Q158 PolarHBondContact NE2-OE1 3.19Å; H156-K174 HydrophobicContact CB-CB 4.22Å; H156-M178 HydrophobicContact CB-CE 3.97Å
157V98.9Very high97Very high11 Ų1153.2 Ų53.27%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-107.2123.5173.7-164.10000108.8V124 A126 V137 E141 L146 Y155V124-V157 HydrophobicContact CB-CB 4.43Å; V124-V157 HydrophobicContact CB-CG1 4.08Å; V124-V157 HydrophobicContact CB-CG2 4.21Å; V124-V157 HydrophobicContact CG1-CG1 4.03Å; V124-V157 CarbonylContact O-C 3.46Å; V124-V157 WeakPolarHBondContact O-CA 3Å; A126-V157 HydrophobicContact CB-CG1 4.25Å; V137-V157 HydrophobicContact CG1-CB 3.68Å; V137-V157 HydrophobicContact CG1-CG1 3.6Å; E141-V157 HydrophobicContact CB-CG2 4.18Å; E141-V157 HydrophobicContact CG-CG2 4.41Å; L146-V157 HydrophobicContact CD1-CG2 3.33Å; Y155-V157 HydrophobicContact CD2-CG2 4.36Å
158Q98.8Very high97Very high24 Ų2447.3 Ų47.311%0.11226%0.259CS..EExtended strand (participates in β ladder)trans-116.7120.5-177-177.462.745.400110L123 V124 I125 A126 H156 G167L123-Q158 HydrophobicContact CD1-CB 4.06Å; V124-Q158 PolarHBondContact O-N 3.12Å; I125-Q158 HydrophobicContact CD1-CB 4.18Å; A126-Q158 PolarHBondContact N-O 2.98Å; H156-Q158 PolarHBondContact NE2-OE1 3.19Å; Q158-G167 WeakPolarHBondContact CG-O 3.41Å
159P98.8Very high97Very high53 Ų5343.7 Ų43.734%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-66.1134.8168.326.2-30.3000109.7Q129 V137Q129-P159 HydrophobicContact CG-CB 4.04Å; V137-P159 HydrophobicContact CG2-CB 3.55Å; V137-P159 HydrophobicContact CG2-CG 3.78Å
160C98.7Very high97.1Very high2 Ų247.9 Ų47.91%0.01426%0.261CS..  trans-144.8152.5-179.1-67.70000113.9I125 A126 N127 K128 Q129 E166 L168I125-C160 HydrophobicContact CG2-CB 3.64Å; A126-C160 PolarHBondContact O-N 3.42Å; N127-C160 CarbonylContact C-O 3.58Å; N127-C160 WeakPolarHBondContact CA-O 3.46Å; K128-C160 PolarHBondContact N-O 3.18Å; K128-C160 VanDerWaalsContact N-O 3.12Å; Q129-C160 PolarHBondContact N-O 2.99Å; C160-E166 VanDerWaalsContact CA-O 3.23Å; C160-E166 WeakPolarHBondContact CA-O 3.4Å; C160-E166 WeakPolarHBondContact CB-O 3.24Å; C160-L168 HydrophobicContact CB-CD2 4.15Å
161C98.5Very high97.3Very high1 Ų146 Ų461%0.00725%0.25CC..BIsolated β-bridgetrans-121.997.3163.2176.80000109.3D130 I163 I164 G165 E166D130-C161 HydrophobicContact CB-CB 4.34Å; D130-C161 PolarHBondContact OD1-SG 2.87Å; C161-I163 PolarHBondContact O-N 2.86Å; C161-I163 WeakPolarHBondContact SG-CG1 3.38Å; C161-I164 HydrophobicContact CB-CD1 4.06Å; C161-I164 HydrophobicContact CB-CG1 3.86Å; C161-I164 PolarHBondContact O-N 2.87Å; C161-G165 PolarHBondContact O-N 2.89Å; C161-E166 HydrophobicContact CB-CB 4.26Å; C161-E166 PolarHBondContact N-O 3.23Å; C161-E166 VanDerWaalsContact N-O 3.1Å; C161-E166 PolarHBondContact O-N 2.82Å
162A98Very high97.6Very high2 Ų239.7 Ų39.72%0.01721%0.208CC..THydrogen-bonded Turntrans-62.1-26.1-176.100000113.9T28 V29 R32 N127 I164T28-A162 HydrophobicContact CG2-CB 3.83Å; V29-A162 HydrophobicContact CG2-CB 3.62Å; R32-A162 PolarHBondContact NE-O 2.89Å; N127-A162 VanDerWaalsContact OD1-CB 3.31Å; N127-A162 WeakPolarHBondContact OD1-CB 3.47Å; N127-A162 PolarHBondContact OD1-N 3.19Å; A162-I164 VanDerWaalsContact C-N 3.25Å; A162-I164 PolarHBondContact O-N 3.22Å
163I97.8Very high97.9Very high77 Ų7738.5 Ų38.540%0.39520%0.198SC..THydrogen-bonded Turntrans-77.3-8.1-179.465.7159.8000113.8T28 R32 F38 D130 C161T28-I163 HydrophobicContact CG2-CG2 4.24Å; R32-I163 PolarHBondContact NH2-O 2.96Å; F38-I163 HydrophobicContact CD2-CB 4.08Å; F38-I163 HydrophobicContact CD2-CG2 3.9Å; F38-I163 HydrophobicContact CE2-CB 4.36Å; F38-I163 HydrophobicContact CE2-CG2 3.7Å; D130-I163 WeakPolarHBondContact OD2-CD1 3.5Å; C161-I163 PolarHBondContact O-N 2.86Å; C161-I163 WeakPolarHBondContact SG-CG1 3.38Å
164I97.3Very high98.1Very high103 Ų10342.1 Ų42.153%0.52821%0.213SC..THydrogen-bonded Turntrans-129.2-11.2170.469.5-172.3000113.1C161 A162 E166C161-I164 HydrophobicContact CB-CD1 4.06Å; C161-I164 HydrophobicContact CB-CG1 3.86Å; C161-I164 PolarHBondContact O-N 2.87Å; A162-I164 VanDerWaalsContact C-N 3.25Å; A162-I164 PolarHBondContact O-N 3.22Å; I164-E166 HydrophobicContact CD1-CB 4.14Å; I164-E166 HydrophobicContact CG1-CB 3.97Å
165G97.2Very high98.1Very high13 Ų1339.4 Ų39.413%0.13420%0.196CC..THydrogen-bonded Turntrans88.53.6177.800000115.6R32 C161 G167 L168R32-G165 VanDerWaalsContact CG-CA 3.49Å; C161-G165 PolarHBondContact O-N 2.89Å; G165-G167 PolarHBondContact O-N 2.61Å; G165-L168 PolarHBondContact O-N 3.29Å
166E98Very high98Very high131 Ų13138.2 Ų38.261%0.61219%0.191SC*.BIsolated β-bridgetrans-59.4134.4177.2-171.8178.7176.700111.4C160 C161 I164 L168C160-E166 VanDerWaalsContact CA-O 3.23Å; C160-E166 WeakPolarHBondContact CA-O 3.4Å; C160-E166 WeakPolarHBondContact CB-O 3.24Å; C161-E166 HydrophobicContact CB-CB 4.26Å; C161-E166 PolarHBondContact N-O 3.23Å; C161-E166 VanDerWaalsContact N-O 3.1Å; C161-E166 PolarHBondContact O-N 2.82Å; I164-E166 HydrophobicContact CD1-CB 4.14Å; I164-E166 HydrophobicContact CG1-CB 3.97Å; E166-L168 PolarHBondContact O-N 2.79Å
167G98.1Very high97.9Very high5 Ų540.2 Ų40.25%0.05220%0.201CC..THydrogen-bonded Turntrans79-11.917800000115.2Q158 G165 E170 G171Q158-G167 WeakPolarHBondContact CG-O 3.41Å; G165-G167 PolarHBondContact O-N 2.61Å; G167-E170 WeakPolarHBondContact CA-OE2 3.32Å; G167-E170 PolarHBondContact N-OE2 3.05Å; G167-G171 PolarHBondContact O-N 2.86Å
168L97.6Very high97.9Very high5 Ų541 Ų413%0.02620%0.204CC..Hα-helixtrans-69-39.7-174.9-66.8-175.3000112.5V29 R32 L33 C160 G165 E166 G171 M172V29-L168 HydrophobicContact CB-CD2 4.49Å; V29-L168 HydrophobicContact CG1-CD2 3.81Å; V29-L168 HydrophobicContact CG2-CD2 4.14Å; R32-L168 HydrophobicContact CB-CD1 3.73Å; R32-L168 HydrophobicContact CG-CD1 3.33Å; L33-L168 HydrophobicContact CD2-CB 4.06Å; L33-L168 HydrophobicContact CD2-CD1 4.46Å; L33-L168 HydrophobicContact CG-CD1 4.32Å; C160-L168 HydrophobicContact CB-CD2 4.15Å; G165-L168 PolarHBondContact O-N 3.29Å; E166-L168 PolarHBondContact O-N 2.79Å; L168-G171 PolarHBondContact O-N 2.88Å; L168-M172 WeakPolarHBondContact O-CB 3.5Å; L168-M172 VanDerWaalsContact O-CG 3.28Å; L168-M172 WeakPolarHBondContact O-CG 3.49Å; L168-M172 PolarHBondContact O-N 2.83Å
169H96.6Very high97.8Very high52 Ų5239.9 Ų39.924%0.24120%0.199CC..Hα-helixtrans-69.1-41.8179.8-67.6-54.4000111.4N56 G171 M172 D173N56-H169 HydrophobicContact CB-CB 4.5Å; N56-H169 PolarHBondContact ND2-CE1 3.24Å; N56-H169 VanDerWaalsContact ND2-CE1 3.32Å; N56-H169 PolarHBondContact ND2-NE2 2.9Å; H169-G171 VanDerWaalsContact C-N 3.34Å; H169-G171 PolarHBondContact O-N 3.31Å; H169-M172 PolarHBondContact O-N 3.11Å; H169-D173 WeakPolarHBondContact O-CB 3.46Å; H169-D173 PolarHBondContact O-N 3.23Å
170E98.1Very high97.6Very high102 Ų10238.5 Ų38.548%0.47719%0.19SC..Hα-helixtrans-61-44175.3-62.979.1-17800111G167 D173 K174G167-E170 WeakPolarHBondContact CA-OE2 3.32Å; G167-E170 PolarHBondContact N-OE2 3.05Å; E170-D173 PolarHBondContact O-N 2.93Å; E170-K174 WeakPolarHBondContact O-CG 3.35Å; E170-K174 PolarHBondContact O-N 3.11Å
171G98.4Very high97.4Very high0 Ų045.7 Ų45.70%022%0.22CC..Hα-helixtrans-62-45.4174.900000112.5L123 G167 L168 H169 D173 K174 L175L123-G171 VanDerWaalsContact CD2-O 3.28Å; L123-G171 WeakPolarHBondContact CD2-O 3.46Å; G167-G171 PolarHBondContact O-N 2.86Å; L168-G171 PolarHBondContact O-N 2.88Å; H169-G171 VanDerWaalsContact C-N 3.34Å; H169-G171 PolarHBondContact O-N 3.31Å; G171-D173 VanDerWaalsContact C-N 3.35Å; G171-D173 PolarHBondContact O-N 2.88Å; G171-K174 PolarHBondContact O-N 3.15Å; G171-L175 PolarHBondContact O-N 3.5Å
172M98.1Very high97.1Very high9 Ų948.5 Ų48.54%0.04423%0.231CC..Hα-helixtrans-65-37.7178-72.4-52.3-52.700112.7L33 L54 F66 I90 L168 H169 L175 Y176L33-M172 HydrophobicContact CD1-CG 4.34Å; L33-M172 HydrophobicContact CD1-SD 4.24Å; L33-M172 HydrophobicContact CD2-CG 4.04Å; L54-M172 HydrophobicContact CD1-CB 4.37Å; L54-M172 HydrophobicContact CD1-CE 4.08Å; L54-M172 HydrophobicContact CD2-CE 4.45Å; L54-M172 HydrophobicContact CD2-CG 4.44Å; F66-M172 HydrophobicContact CE1-CE 4.25Å; F66-M172 HydrophobicContact CE1-SD 4.3Å; F66-M172 HydrophobicContact CZ-CE 3.73Å; F66-M172 HydrophobicContact CZ-SD 4.08Å; I90-M172 HydrophobicContact CD1-SD 3.73Å; L168-M172 WeakPolarHBondContact O-CB 3.5Å; L168-M172 VanDerWaalsContact O-CG 3.28Å; L168-M172 WeakPolarHBondContact O-CG 3.49Å; L168-M172 PolarHBondContact O-N 2.83Å; H169-M172 PolarHBondContact O-N 3.11Å; M172-L175 HydrophobicContact CE-CD2 4.19Å; M172-L175 PolarHBondContact O-N 2.85Å; M172-L175 HydrophobicContact SD-CD2 4.45Å; M172-Y176 WeakPolarHBondContact O-CB 3.39Å; M172-Y176 PolarHBondContact O-N 3.42Å
173D97.4Very high96.9Very high30 Ų3050.7 Ų50.716%0.1624%0.239CC..Hα-helixtrans-61.4-45.8173.4-86.60.3000111.1G57 T58 A59 H169 E170 G171 L175 Y176 E177G57-D173 WeakPolarHBondContact CA-OD1 3.27Å; G57-D173 WeakPolarHBondContact CA-OD2 3.25Å; T58-D173 VanDerWaalsContact N-CG 3.26Å; T58-D173 PolarHBondContact N-OD1 2.93Å; T58-D173 PolarHBondContact N-OD2 3.23Å; T58-D173 PolarHBondContact OG1-OD1 3.09Å; T58-D173 PolarHBondContact OG1-OD2 3.31Å; A59-D173 WeakPolarHBondContact CB-OD1 3.33Å; A59-D173 PolarHBondContact N-OD1 3.45Å; H169-D173 WeakPolarHBondContact O-CB 3.46Å; H169-D173 PolarHBondContact O-N 3.23Å; E170-D173 PolarHBondContact O-N 2.93Å; G171-D173 VanDerWaalsContact C-N 3.35Å; G171-D173 PolarHBondContact O-N 2.88Å; D173-L175 PolarHBondContact O-N 3.06Å; D173-Y176 WeakPolarHBondContact O-CB 3.25Å; D173-Y176 PolarHBondContact O-N 2.71Å; D173-E177 WeakPolarHBondContact O-CG 3.18Å; D173-E177 PolarHBondContact O-N 3.48Å
174K98.4Very high96.5Very high84 Ų8451 Ų5137%0.36524%0.237SC..Hα-helixtrans-62.9-42.9177.1-71.7-75.3158.2-147.40112.3H156 E170 G171 Y176 E177 M178H156-K174 HydrophobicContact CB-CB 4.22Å; E170-K174 WeakPolarHBondContact O-CG 3.35Å; E170-K174 PolarHBondContact O-N 3.11Å; G171-K174 PolarHBondContact O-N 3.15Å; K174-Y176 VanDerWaalsContact C-N 3.34Å; K174-Y176 PolarHBondContact O-N 2.68Å; K174-E177 IonicContact NZ-OE2 2.81Å; K174-E177 PolarHBondContact NZ-OE2 3.33Å; K174-E177 PolarHBondContact O-N 2.94Å; K174-M178 WeakPolarHBondContact O-CG 2.98Å; K174-M178 PolarHBondContact O-N 3.02Å; K174-M178 VanDerWaalsContact O-N 3.09Å
175L98.4Very high96.2Very high1 Ų148.7 Ų48.71%0.00523%0.23CC..Hα-helixtrans-61.2-45.6175-177.957.9000111.2I16 I90 P121 L123 G171 M172 D173 E177 M178 I179I16-L175 HydrophobicContact CD1-CD2 4.16Å; I16-L175 HydrophobicContact CG2-CD2 4.17Å; I90-L175 HydrophobicContact CD1-CD2 4.05Å; I90-L175 HydrophobicContact CG1-CD2 3.72Å; P121-L175 HydrophobicContact CB-CD1 4.1Å; L123-L175 HydrophobicContact CB-CB 4.18Å; L123-L175 HydrophobicContact CB-CD1 4.12Å; L123-L175 HydrophobicContact CB-CD2 4.31Å; L123-L175 HydrophobicContact CB-CG 4.43Å; L123-L175 HydrophobicContact CD2-CB 4.12Å; L123-L175 HydrophobicContact CD2-CD2 4.34Å; G171-L175 PolarHBondContact O-N 3.5Å; M172-L175 HydrophobicContact CE-CD2 4.19Å; M172-L175 PolarHBondContact O-N 2.85Å; M172-L175 HydrophobicContact SD-CD2 4.45Å; D173-L175 PolarHBondContact O-N 3.06Å; L175-E177 PolarHBondContact O-N 3.23Å; L175-M178 HydrophobicContact CD1-CE 4.37Å; L175-M178 PolarHBondContact O-N 2.99Å; L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CG-CD1 3.86Å; L175-I179 HydrophobicContact CG-CG1 4.5Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.49Å
176Y96.8Very high95.7Very high46 Ų4652.1 Ų52.118%0.1825%0.245CC..Hα-helixtrans-59.5-47.3177.7177.5-115.5000112I8 L14 A59 I62 M172 D173 K174 M178 I179 V180I8-Y176 HydrophobicContact CD1-CE2 4.31Å; L14-Y176 HydrophobicContact CD1-CD2 3.93Å; L14-Y176 HydrophobicContact CD1-CE2 4.39Å; A59-Y176 HydrophobicContact CB-CD1 3.93Å; A59-Y176 HydrophobicContact CB-CG 3.83Å; I62-Y176 HydrophobicContact CD1-CE2 3.9Å; I62-Y176 HydrophobicContact CG1-CD2 4.3Å; I62-Y176 HydrophobicContact CG1-CE2 3.77Å; M172-Y176 WeakPolarHBondContact O-CB 3.39Å; M172-Y176 PolarHBondContact O-N 3.42Å; D173-Y176 WeakPolarHBondContact O-CB 3.25Å; D173-Y176 PolarHBondContact O-N 2.71Å; K174-Y176 VanDerWaalsContact C-N 3.34Å; K174-Y176 PolarHBondContact O-N 2.68Å; Y176-M178 VanDerWaalsContact C-N 3.33Å; Y176-M178 PolarHBondContact O-N 3.42Å; Y176-I179 PolarHBondContact O-N 3.25Å; Y176-V180 HydrophobicContact CD1-CG2 4.29Å; Y176-V180 HydrophobicContact CD2-CG2 3.99Å; Y176-V180 HydrophobicContact CE1-CG2 3.9Å; Y176-V180 HydrophobicContact CE2-CG2 3.59Å; Y176-V180 HydrophobicContact CG-CG2 4.32Å; Y176-V180 WeakPolarHBondContact O-CG2 3.26Å; Y176-V180 PolarHBondContact O-N 2.77Å
177E96.7Very high95.2Very high93 Ų9351.9 Ų51.944%0.43524%0.242SC..Hα-helixtrans-54.6-47.7175.6-76.2-177.1150.700111.8D173 K174 L175 I179 V180 K181D173-E177 WeakPolarHBondContact O-CG 3.18Å; D173-E177 PolarHBondContact O-N 3.48Å; K174-E177 IonicContact NZ-OE2 2.81Å; K174-E177 PolarHBondContact NZ-OE2 3.33Å; K174-E177 PolarHBondContact O-N 2.94Å; L175-E177 PolarHBondContact O-N 3.23Å; E177-I179 PolarHBondContact O-N 3.31Å; E177-V180 PolarHBondContact O-N 2.63Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 2.82Å
178M97.9Very high94.6Very high27 Ų2757.7 Ų57.713%0.13327%0.267CS..Hα-helixtrans-64-41178.4-66.7-168-73.700112.3P121 H156 K174 L175 Y176 K181 R182P121-M178 HydrophobicContact CB-CB 3.63Å; P121-M178 HydrophobicContact CB-CE 4.16Å; P121-M178 HydrophobicContact CB-SD 4.29Å; P121-M178 HydrophobicContact CG-CB 3.97Å; H156-M178 HydrophobicContact CB-CE 3.97Å; K174-M178 WeakPolarHBondContact O-CG 2.98Å; K174-M178 PolarHBondContact O-N 3.02Å; K174-M178 VanDerWaalsContact O-N 3.09Å; L175-M178 HydrophobicContact CD1-CE 4.37Å; L175-M178 PolarHBondContact O-N 2.99Å; Y176-M178 VanDerWaalsContact C-N 3.33Å; Y176-M178 PolarHBondContact O-N 3.42Å; M178-K181 PolarHBondContact O-N 3.02Å; M178-R182 PolarHBondContact O-N 2.96Å
179I96.5Very high93.8Very high2 Ų264.2 Ų64.21%0.0130%0.296CS..Hα-helixtrans-61.5-46.8176.3-69.7170.3000110.8L14 I16 D87 P121 L175 Y176 E177 K181 R182 R183L14-I179 HydrophobicContact CD1-CD1 4.16Å; L14-I179 HydrophobicContact CD2-CG2 4.18Å; I16-I179 HydrophobicContact CD1-CD1 3.72Å; D87-I179 HydrophobicContact CB-CD1 4.12Å; D87-I179 HydrophobicContact CB-CG2 4.24Å; D87-I179 WeakPolarHBondContact O-CG1 3.26Å; P121-I179 HydrophobicContact CG-CG1 4.07Å; L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CG-CD1 3.86Å; L175-I179 HydrophobicContact CG-CG1 4.5Å; L175-I179 VanDerWaalsContact O-CG1 3.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.49Å; Y176-I179 PolarHBondContact O-N 3.25Å; E177-I179 PolarHBondContact O-N 3.31Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.17Å; I179-R182 PolarHBondContact O-N 3.36Å; I179-R183 HydrophobicContact CG2-CG 4.49Å; I179-R183 WeakPolarHBondContact O-CB 3.42Å; I179-R183 WeakPolarHBondContact O-CG 3.23Å; I179-R183 PolarHBondContact O-N 3.09Å
180V94.4Very high92.9Very high24 Ų2470.5 Ų70.515%0.14532%0.322CS..Hα-helixtrans-60.4-45.5178175.40000110.4I8 Y176 E177 R183 K184I8-V180 HydrophobicContact CD1-CB 4.16Å; I8-V180 HydrophobicContact CD1-CG1 4.2Å; I8-V180 HydrophobicContact CD1-CG2 3.39Å; Y176-V180 HydrophobicContact CD1-CG2 4.29Å; Y176-V180 HydrophobicContact CD2-CG2 3.99Å; Y176-V180 HydrophobicContact CE1-CG2 3.9Å; Y176-V180 HydrophobicContact CE2-CG2 3.59Å; Y176-V180 HydrophobicContact CG-CG2 4.32Å; Y176-V180 WeakPolarHBondContact O-CG2 3.26Å; Y176-V180 PolarHBondContact O-N 2.77Å; E177-V180 PolarHBondContact O-N 2.63Å; V180-R183 PolarHBondContact O-N 2.8Å; V180-K184 HydrophobicContact CG1-CD 4.14Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 3.1Å
181K94.6Very high91.7Very high152 Ų15274.5 Ų74.566%0.66134%0.338SS*.Hα-helixtrans-60.1-46.7178.1-172.4178.6-179.8-178.40111.6E177 M178 I179 K184 S185E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 2.82Å; M178-K181 PolarHBondContact O-N 3.02Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.17Å; K181-K184 PolarHBondContact O-N 2.93Å; K181-S185 PolarHBondContact O-N 3.4Å; K181-S185 VanDerWaalsContact O-N 3.07Å
182R93.9Very high89.8Confident61 Ų6187.6 Ų87.623%0.2339%0.388CS..Hα-helixtrans-58.9-50.9175.8-178.7-172.3-174.8-166.414.4111.6Q118 G119 T120 P121 M178 I179 K184 S185 L186Q118-R182 PolarHBondContact O-NH2 3.43Å; Q118-R182 VanDerWaalsContact O-NH2 3.07Å; G119-R182 WeakPolarHBondContact O-CD 3.42Å; G119-R182 VanDerWaalsContact O-CZ 3.3Å; G119-R182 PolarHBondContact O-NE 2.99Å; T120-R182 VanDerWaalsContact CA-CZ 3.47Å; T120-R182 PolarHBondContact OG1-NH1 2.95Å; T120-R182 PolarHBondContact OG1-NH2 3.12Å; P121-R182 HydrophobicContact CG-CB 4.49Å; M178-R182 PolarHBondContact O-N 2.96Å; I179-R182 PolarHBondContact O-N 3.36Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 2.98Å; R182-S185 WeakPolarHBondContact O-CB 3.46Å; R182-S185 PolarHBondContact O-N 2.81Å; R182-S185 VanDerWaalsContact O-N 3.16Å; R182-L186 HydrophobicContact CG-CD1 4.12Å; R182-L186 HydrophobicContact CG-CG 4.47Å; R182-L186 WeakPolarHBondContact O-CG 3.23Å; R182-L186 PolarHBondContact O-N 3.45Å
183R91.9Very high89.4Confident47 Ų4791.5 Ų91.518%0.17741%0.405CS..Hα-helixtrans-60.2-39.6-179-75.2177.9169.1-167.3-5.2111.9L14 D87 I179 V180 K187L14-R183 VanDerWaalsContact CD2-CZ 3.49Å; L14-R183 VanDerWaalsContact CD2-NH1 3.34Å; D87-R183 IonicContact OD1-CZ 3.36Å; D87-R183 IonicContact OD1-NE 3.29Å; D87-R183 PolarHBondContact OD1-NE 3.21Å; D87-R183 IonicContact OD1-NH2 2.68Å; D87-R183 PolarHBondContact OD1-NH2 2.82Å; D87-R183 IonicContact OD2-NH2 3.01Å; D87-R183 PolarHBondContact OD2-NH2 3.44Å; I179-R183 HydrophobicContact CG2-CG 4.49Å; I179-R183 WeakPolarHBondContact O-CB 3.42Å; I179-R183 WeakPolarHBondContact O-CG 3.23Å; I179-R183 PolarHBondContact O-N 3.09Å; V180-R183 PolarHBondContact O-N 2.8Å; R183-K187 WeakPolarHBondContact O-CG 3.13Å; R183-K187 PolarHBondContact O-N 3.24Å; R183-K187 VanDerWaalsContact O-N 3.09Å
184K91Very high89Confident85 Ų8594.7 Ų94.737%0.3742%0.418SS..Hα-helixtrans-62-46.9174.1-74.6176.7178.51790111.7S6 V180 K181 R182 L186 K187 Q188S6-K184 WeakPolarHBondContact OG-CE 3.46Å; V180-K184 HydrophobicContact CG1-CD 4.14Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 3.1Å; K181-K184 PolarHBondContact O-N 2.93Å; R182-K184 VanDerWaalsContact C-N 3.31Å; R182-K184 PolarHBondContact O-N 2.98Å; K184-L186 PolarHBondContact O-N 2.95Å; K184-K187 PolarHBondContact O-N 2.87Å; K184-Q188 WeakPolarHBondContact O-CG 3.5Å; K184-Q188 PolarHBondContact O-N 2.61Å; K184-Q188 VanDerWaalsContact O-N 3.08Å
185S89.6Confident88.5Confident53 Ų5395.3 Ų95.337%0.37142%0.42SS..Hα-helixtrans-59.3-45.1177178.10000112.4K181 R182 K187 Q188 K189K181-S185 PolarHBondContact O-N 3.4Å; K181-S185 VanDerWaalsContact O-N 3.07Å; R182-S185 WeakPolarHBondContact O-CB 3.46Å; R182-S185 PolarHBondContact O-N 2.81Å; R182-S185 VanDerWaalsContact O-N 3.16Å; S185-K187 PolarHBondContact O-N 3.43Å; S185-Q188 PolarHBondContact O-N 2.71Å; S185-K189 WeakPolarHBondContact O-CG 3.43Å; S185-K189 PolarHBondContact O-N 2.62Å
186L87.9Confident87.9Confident85 Ų85100.9 Ų100.945%0.44545%0.445SS..Hα-helixtrans-63.6-39.8177.5-68.4174.7000112.8R182 K184 Q188 K189 K190R182-L186 HydrophobicContact CG-CD1 4.12Å; R182-L186 HydrophobicContact CG-CG 4.47Å; R182-L186 WeakPolarHBondContact O-CG 3.23Å; R182-L186 PolarHBondContact O-N 3.45Å; K184-L186 PolarHBondContact O-N 2.95Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-K189 PolarHBondContact O-N 2.81Å; L186-K190 WeakPolarHBondContact O-CG 2.92Å; L186-K190 PolarHBondContact O-N 2.98Å; L186-K190 VanDerWaalsContact O-N 3.15Å
187K87.1Confident87.3Confident127 Ų127104.3 Ų104.355%0.55246%0.461SS*.Hα-helixtrans-64.5-37.6175.5-75180-179.2-177.10112.3R183 K184 S185 K190 K191R183-K187 WeakPolarHBondContact O-CG 3.13Å; R183-K187 PolarHBondContact O-N 3.24Å; R183-K187 VanDerWaalsContact O-N 3.09Å; K184-K187 PolarHBondContact O-N 2.87Å; S185-K187 PolarHBondContact O-N 3.43Å; K187-K190 PolarHBondContact O-N 3.08Å; K187-K191 WeakPolarHBondContact O-CG 3.13Å; K187-K191 PolarHBondContact O-N 3.26Å
188Q84.4Confident86.7Confident126 Ų126105.1 Ų105.159%0.58946%0.463SS*.Hα-helixtrans-68.5-40.4177.1-71.3173.75.700111.7K184 S185 L186 K190 K191K184-Q188 WeakPolarHBondContact O-CG 3.5Å; K184-Q188 PolarHBondContact O-N 2.61Å; K184-Q188 VanDerWaalsContact O-N 3.08Å; S185-Q188 PolarHBondContact O-N 2.71Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.11Å; Q188-K191 PolarHBondContact O-N 3.32Å
189K82.7Confident85.9Confident143 Ų143110.6 Ų110.662%0.62249%0.487SS*.Hα-helixtrans-63.1-35.5175.4-71.6-177.6-179.7-174.20113.1S185 L186 K191 R192S185-K189 WeakPolarHBondContact O-CG 3.43Å; S185-K189 PolarHBondContact O-N 2.62Å; L186-K189 PolarHBondContact O-N 2.81Å; K189-K191 VanDerWaalsContact C-N 3.28Å; K189-K191 PolarHBondContact O-N 3.12Å; K189-R192 PolarHBondContact O-N 3.23Å
190K77.6Confident85.1Confident183 Ų183119 Ų11980%0.79652%0.523SS*.THydrogen-bonded Turntrans-72.2-16.9176.9-73.8-174.3178.1-170.30114.7L186 K187 Q188L186-K190 WeakPolarHBondContact O-CG 2.92Å; L186-K190 PolarHBondContact O-N 2.98Å; L186-K190 VanDerWaalsContact O-N 3.15Å; K187-K190 PolarHBondContact O-N 3.08Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.11Å
191K71.8Confident84.3Confident187 Ų187126.9 Ų126.981%0.81356%0.555SS**THydrogen-bonded Turntrans-94.2-7.3178.9-73.1-175.2175.7-166.80113K187 Q188 K189K187-K191 WeakPolarHBondContact O-CG 3.13Å; K187-K191 PolarHBondContact O-N 3.26Å; Q188-K191 PolarHBondContact O-N 3.32Å; K189-K191 VanDerWaalsContact C-N 3.28Å; K189-K191 PolarHBondContact O-N 3.12Å
192R58.8Low83.3Confident274 Ų274124.6 Ų124.6100%1.03455%0.545SS*.  trans-98.60172.5-69.1-179.4174.5-172.7-2.5108.2K189K189-R192 PolarHBondContact O-N 3.23Å

Retrieved 192 of 192 residues in 608.1 ms (Link to these results)

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