A0A087WVD7_HUMAN Loading...

Adenylate kinase 6

AlphaFold DB , UniProt , Accession A0A087WVD7, Species HUMAN (Homo sapiens, Human), Gene AK6, Length 109 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
1M60.1Low93.5Very high237 Ų23759.3 Ų59.3100%1.16732%0.322SS*.  0137.10-72.5177.7-168.300106.7
2L83.8Confident93.8Very high123 Ų12359.3 Ų59.364%0.64433%0.327SS*.PPolyproline II helixtrans-69.4129.2173-159.977.1000108.1E71L2-E71 VanDerWaalsContact CD1-O 3.31Å; L2-E71 WeakPolarHBondContact CD1-O 3.35Å
3L97Very high94.1Very high95 Ų9555.5 Ų55.550%0.49731%0.311SS..BIsolated β-bridgetrans-81.5147177.1-68.4174.6000109.9G72 G73L3-G72 WeakPolarHBondContact O-CA 3.41Å; L3-G73 VanDerWaalsContact CB-CA 3.45Å; L3-G73 PolarHBondContact O-N 3.26Å; L3-G73 VanDerWaalsContact O-N 3.1Å
4P97.8Very high94.4Very high57 Ų5752.3 Ų52.337%0.3729%0.293SS..PPolyproline II helixtrans-73.1154.3-17831.6-35.7000111.7G73 H90P4-G73 VanDerWaalsContact O-CA 3.31Å; P4-G73 WeakPolarHBondContact O-CA 3.31Å; P4-G73 PolarHBondContact O-N 3.04Å; P4-H90 HydrophobicContact CB-CB 4.27Å
5N98.7Very high94.7Very high4 Ų450.5 Ų50.52%0.02129%0.291CS..  trans-107140.7169.2-65.4-27000110.4M69 G72 G73 V74 W88 F89 H90N5-M69 HydrophobicContact CB-CE 3.9Å; N5-M69 PolarHBondContact ND2-O 3.04Å; N5-G72 VanDerWaalsContact OD1-C 3.29Å; N5-G72 VanDerWaalsContact OD1-CA 3.23Å; N5-G72 WeakPolarHBondContact OD1-CA 3.27Å; N5-G73 PolarHBondContact OD1-N 3.08Å; N5-V74 CarbonylContact C-O 3.53Å; N5-V74 WeakPolarHBondContact CA-O 3.26Å; N5-V74 PolarHBondContact OD1-N 2.92Å; N5-W88 WeakPolarHBondContact CB-O 3.3Å; N5-W88 PolarHBondContact ND2-O 3.48Å; N5-F89 HydrophobicContact CB-CD1 4.4Å; N5-H90 PolarHBondContact N-CE1 3.1Å; N5-H90 PolarHBondContact N-ND1 3.47Å; N5-H90 PolarHBondContact O-N 3.26Å; N5-H90 PolarHBondContact O-ND1 3.48Å
6I98.8Very high94.9Very high31 Ų3148.3 Ų48.316%0.15928%0.277CS..EExtended strand (participates in β ladder)trans-129.9134.6-173.6-57.3173.8000109.1L8 L29 V74 I75 V76 I91 F93I6-L8 HydrophobicContact CG2-CD2 4.18Å; I6-L29 HydrophobicContact CD1-CD2 4.4Å; I6-V74 PolarHBondContact N-O 3.06Å; I6-I75 WeakPolarHBondContact O-CA 3.29Å; I6-V76 PolarHBondContact O-N 2.93Å; I6-I91 HydrophobicContact CB-CG2 4.48Å; I6-I91 HydrophobicContact CG1-CG2 4Å; I6-I91 HydrophobicContact CG2-CG2 4.18Å; I6-F93 HydrophobicContact CG2-CD2 3.8Å; I6-F93 HydrophobicContact CG2-CE2 4.04Å
7L98.8Very high95.1Very high4 Ų448.2 Ų48.22%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-101.4129.5168.1179.460.5000110.4V76 C81 F84 F89 I91 V92 F93L7-V76 HydrophobicContact CD1-CB 4.14Å; L7-V76 HydrophobicContact CD1-CG1 4.06Å; L7-C81 HydrophobicContact CD2-CB 3.71Å; L7-F84 HydrophobicContact CD1-CE2 4.3Å; L7-F84 HydrophobicContact CD2-CD2 4.44Å; L7-F89 HydrophobicContact CB-CD1 3.67Å; L7-F89 HydrophobicContact CB-CD2 4.13Å; L7-F89 HydrophobicContact CB-CE1 3.74Å; L7-F89 HydrophobicContact CB-CE2 4.17Å; L7-F89 HydrophobicContact CB-CG 3.87Å; L7-F89 HydrophobicContact CB-CZ 3.99Å; L7-F89 HydrophobicContact CD1-CE1 4.37Å; L7-F89 HydrophobicContact CD1-CE2 4.5Å; L7-F89 HydrophobicContact CD1-CZ 4.04Å; L7-F89 HydrophobicContact CD2-CD2 4.23Å; L7-F89 HydrophobicContact CD2-CE2 3.98Å; L7-F89 HydrophobicContact CD2-CZ 4.33Å; L7-F89 HydrophobicContact CG-CE2 4.45Å; L7-F89 HydrophobicContact CG-CZ 4.34Å; L7-I91 PolarHBondContact N-O 2.98Å; L7-V92 HydrophobicContact CB-CB 4.41Å; L7-V92 HydrophobicContact CB-CG1 4.12Å; L7-V92 HydrophobicContact CB-CG2 4.09Å; L7-V92 HydrophobicContact CD2-CG1 3.87Å; L7-V92 HydrophobicContact CD2-CG2 4.23Å; L7-V92 HydrophobicContact CG-CG1 4.11Å; L7-F93 PolarHBondContact O-N 3.37Å
8L98.8Very high95.3Very high1 Ų151.2 Ų51.21%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-105.9118.8165.4-57-177.2000108.4I6 L19 L23 I75 V76 Y78 F93 L95I6-L8 HydrophobicContact CG2-CD2 4.18Å; L8-L19 HydrophobicContact CD1-CB 4.43Å; L8-L19 HydrophobicContact CD1-CD2 4.21Å; L8-L19 HydrophobicContact CD1-CG 4.18Å; L8-L19 HydrophobicContact CD2-CD2 4.3Å; L8-L23 HydrophobicContact CD1-CD1 4.45Å; L8-I75 HydrophobicContact CD1-CG2 3.86Å; L8-I75 HydrophobicContact CG-CG2 4.01Å; L8-V76 PolarHBondContact N-O 3.49Å; L8-Y78 PolarHBondContact O-N 2.93Å; L8-F93 HydrophobicContact CD2-CB 4Å; L8-F93 HydrophobicContact CD2-CD2 4.23Å; L8-L95 HydrophobicContact CD2-CD1 4.43Å
9T98.7Very high95.5Very high9 Ų951.8 Ų51.86%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-133.6174.8179.8-165.60000112.8Y78 H79 V92 F93 V94 L95T9-Y78 VanDerWaalsContact CA-O 3.27Å; T9-Y78 WeakPolarHBondContact CA-O 3.34Å; T9-Y78 WeakPolarHBondContact CB-O 3.38Å; T9-Y78 PolarHBondContact OG1-O 3.45Å; T9-H79 PolarHBondContact OG1-O 2.99Å; T9-V92 HydrophobicContact CG2-CG1 4.14Å; T9-F93 PolarHBondContact N-O 3.23Å; T9-V94 HydrophobicContact CG2-CB 4.33Å; T9-V94 HydrophobicContact CG2-CG1 4.41Å; T9-V94 HydrophobicContact CG2-CG2 3.78Å; T9-L95 PolarHBondContact O-N 3.17Å
10G98.2Very high95.6Very high11 Ų1149.3 Ų49.311%0.11328%0.284CS..  trans129.7170.6-174.500000112.4K16G10-K16 PolarHBondContact O-NZ 2.95Å
11T97.9Very high95.8Very high80 Ų8052.6 Ų52.649%0.49130%0.295SS..SBendtrans-54.3146.8-176.9-46.30000112.1G13 V14 K16 L102T11-G13 PolarHBondContact O-N 3.1Å; T11-V14 WeakPolarHBondContact O-CG1 3.07Å; T11-V14 WeakPolarHBondContact O-CG2 3.23Å; T11-V14 PolarHBondContact O-N 3.17Å; T11-K16 PolarHBondContact O-NZ 3.44Å; T11-L102 HydrophobicContact CG2-CD2 4.19Å
12P97.6Very high97.6Very high59 Ų5945.7 Ų45.738%0.38326%0.26SS..THydrogen-bonded Turntrans-48.3137.4167.4-28.736.7000111.6H79P12-H79 HydrophobicContact CG-CB 4.44Å
13G97.4Very high98.3Very high11 Ų1143 Ų4311%0.11325%0.246CC..THydrogen-bonded Turntrans92.9-11.1-179.900000116.9T11 G15 R105T11-G13 PolarHBondContact O-N 3.1Å; G13-G15 PolarHBondContact O-N 2.77Å; G13-R105 WeakPolarHBondContact O-CD 3.45Å; G13-R105 PolarHBondContact O-NH1 3.36Å; G13-R105 VanDerWaalsContact O-NH1 3.08Å
14V98.4Very high98.3Very high10 Ų1039.3 Ų39.36%0.06123%0.229CC..SBendtrans-73.3-10.6-179.8-58.50000114.8T11 K16 L95 L102T11-V14 WeakPolarHBondContact O-CG1 3.07Å; T11-V14 WeakPolarHBondContact O-CG2 3.23Å; T11-V14 PolarHBondContact O-N 3.17Å; V14-K16 HydrophobicContact CG2-CD 4.49Å; V14-K16 HydrophobicContact CG2-CG 3.77Å; V14-L95 HydrophobicContact CB-CB 4.06Å; V14-L95 HydrophobicContact CG2-CB 3.54Å; V14-L95 HydrophobicContact CG2-CD2 4.43Å; V14-L102 HydrophobicContact CG1-CD1 4.16Å; V14-L102 HydrophobicContact CG1-CD2 4.47Å
15G98.1Very high98.4Very high25 Ų2541 Ų4126%0.25824%0.242SC..SBendtrans104.614.8173.700000116.6G13 T17 T18 L19G13-G15 PolarHBondContact O-N 2.77Å; G15-T17 PolarHBondContact O-N 3.04Å; G15-T18 PolarHBondContact O-N 2.74Å; G15-L19 PolarHBondContact O-N 2.79Å
16K98.6Very high98.4Very high16 Ų1648.2 Ų48.27%0.0727%0.273CS..Hα-helixtrans-49.4-53.6179.7-55.7-175-64.7-78.70113.1G10 T11 V14 T18 L19 G20 D77 L95G10-K16 PolarHBondContact O-NZ 2.95Å; T11-K16 PolarHBondContact O-NZ 3.44Å; V14-K16 HydrophobicContact CG2-CD 4.49Å; V14-K16 HydrophobicContact CG2-CG 3.77Å; K16-T18 PolarHBondContact O-N 2.83Å; K16-L19 PolarHBondContact O-N 3.46Å; K16-G20 PolarHBondContact O-N 3.23Å; K16-D77 VanDerWaalsContact CB-CG 3.43Å; K16-D77 WeakPolarHBondContact CB-OD1 3.14Å; K16-D77 WeakPolarHBondContact CB-OD2 3.33Å; K16-D77 VanDerWaalsContact CD-OD1 3.24Å; K16-D77 WeakPolarHBondContact CD-OD1 3.46Å; K16-D77 WeakPolarHBondContact CE-OD1 3.38Å; K16-L95 HydrophobicContact CG-CD2 4.44Å
17T98.3Very high98.3Very high46 Ų4650 Ų5028%0.28229%0.288SS..Hα-helixtrans-63.3-40.5-176.7-53.50000112.9G15 K21 Y31 D77G15-T17 PolarHBondContact O-N 3.04Å; T17-K21 HydrophobicContact CG2-CD 4.1Å; T17-K21 WeakPolarHBondContact O-CB 3.2Å; T17-K21 VanDerWaalsContact O-CG 3.32Å; T17-K21 WeakPolarHBondContact O-CG 3.41Å; T17-K21 PolarHBondContact O-N 2.99Å; T17-K21 VanDerWaalsContact O-N 3.11Å; T17-Y31 WeakPolarHBondContact CA-OH 3.37Å; T17-Y31 WeakPolarHBondContact CG2-OH 3.43Å; T17-D77 WeakPolarHBondContact CA-OD2 3.48Å; T17-D77 WeakPolarHBondContact CB-OD2 3.4Å; T17-D77 PolarHBondContact N-OD2 3.36Å; T17-D77 PolarHBondContact OG1-OD2 3.12Å
18T98.4Very high98.2Very high103 Ų10353 Ų5363%0.63232%0.321SS*.Hα-helixtrans-62.9-49.4176.8-55.30000110.4G15 K16 E22G15-T18 PolarHBondContact O-N 2.74Å; K16-T18 PolarHBondContact O-N 2.83Å; T18-E22 PolarHBondContact O-N 3.27Å
19L98.7Very high98.2Very high63 Ų6354.3 Ų54.333%0.3333%0.328SS..Hα-helixtrans-63.3-47.3179.2177.862.2000111.9L8 G15 K16 K21 E22 L23 L95L8-L19 HydrophobicContact CD1-CB 4.43Å; L8-L19 HydrophobicContact CD1-CD2 4.21Å; L8-L19 HydrophobicContact CD1-CG 4.18Å; L8-L19 HydrophobicContact CD2-CD2 4.3Å; G15-L19 PolarHBondContact O-N 2.79Å; K16-L19 PolarHBondContact O-N 3.46Å; L19-K21 PolarHBondContact O-N 3.24Å; L19-E22 PolarHBondContact O-N 3.44Å; L19-L23 HydrophobicContact CD1-CD1 4.05Å; L19-L23 HydrophobicContact CD1-CG 4.03Å; L19-L23 HydrophobicContact CG-CD1 3.9Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.24Å; L19-L95 HydrophobicContact CD2-CD1 4.06Å; L19-L95 HydrophobicContact CD2-CD2 3.95Å; L19-L95 HydrophobicContact CD2-CG 4.43Å
20G98.6Very high98.2Very high0 Ų058.9 Ų58.90%035%0.347CS..Hα-helixtrans-62.6-43-177.200000113.1K16 L23 A24K16-G20 PolarHBondContact O-N 3.23Å; G20-L23 PolarHBondContact O-N 3.01Å; G20-A24 WeakPolarHBondContact O-CB 3.46Å; G20-A24 PolarHBondContact O-N 3.18Å
21K98.5Very high98.2Very high119 Ų11960.2 Ų60.252%0.51735%0.349SS..Hα-helixtrans-63.1-42.9175.1-73.5178.8178-179.90112T17 L19 A24 S25 Y31T17-K21 HydrophobicContact CG2-CD 4.1Å; T17-K21 WeakPolarHBondContact O-CB 3.2Å; T17-K21 VanDerWaalsContact O-CG 3.32Å; T17-K21 WeakPolarHBondContact O-CG 3.41Å; T17-K21 PolarHBondContact O-N 2.99Å; T17-K21 VanDerWaalsContact O-N 3.11Å; L19-K21 PolarHBondContact O-N 3.24Å; K21-A24 PolarHBondContact O-N 2.93Å; K21-S25 PolarHBondContact O-N 2.64Å; K21-Y31 HydrophobicContact CG-CD1 3.93Å; K21-Y31 HydrophobicContact CG-CE1 3.89Å; K21-Y31 HydrophobicContact CG-CG 4.39Å
22E98.6Very high98.2Very high93 Ų9357.1 Ų57.144%0.43533%0.329SS..Hα-helixtrans-64.6-45.2177.7-171.4177.3169.200111.6T18 L19 A24 S25 K26T18-E22 PolarHBondContact O-N 3.27Å; L19-E22 PolarHBondContact O-N 3.44Å; E22-A24 PolarHBondContact O-N 2.88Å; E22-S25 PolarHBondContact O-N 3.28Å; E22-S25 PolarHBondContact O-OG 3.01Å; E22-K26 HydrophobicContact CG-CD 4.14Å; E22-K26 WeakPolarHBondContact O-CG 3.33Å; E22-K26 PolarHBondContact O-N 3.02Å; E22-K26 VanDerWaalsContact O-N 3.12Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 3.03Å; E22-K26 PolarHBondContact OE1-NZ 3.38Å
23L98.4Very high98.3Very high66 Ų6655.7 Ų55.735%0.34632%0.318SS..Hα-helixtrans-59.3-46176-73.5174.9000111.8L8 L19 G20 S25 K26 S27 I75L8-L23 HydrophobicContact CD1-CD1 4.45Å; L19-L23 HydrophobicContact CD1-CD1 4.05Å; L19-L23 HydrophobicContact CD1-CG 4.03Å; L19-L23 HydrophobicContact CG-CD1 3.9Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.24Å; G20-L23 PolarHBondContact O-N 3.01Å; L23-S25 PolarHBondContact O-N 2.92Å; L23-K26 PolarHBondContact O-N 2.99Å; L23-S27 VanDerWaalsContact O-CB 3.28Å; L23-S27 WeakPolarHBondContact O-CB 3.4Å; L23-S27 PolarHBondContact O-N 3.3Å; L23-S27 PolarHBondContact O-OG 3.3Å; L23-I75 HydrophobicContact CB-CD1 3.64Å; L23-I75 HydrophobicContact CD1-CD1 4.46Å
24A98.1Very high98.3Very high17 Ų1755.2 Ų55.214%0.1431%0.313CS..Hα-helixtrans-58.7-46.6176.200000111.7G20 K21 E22 K26 S27 G28 L29G20-A24 WeakPolarHBondContact O-CB 3.46Å; G20-A24 PolarHBondContact O-N 3.18Å; K21-A24 PolarHBondContact O-N 2.93Å; E22-A24 PolarHBondContact O-N 2.88Å; A24-K26 PolarHBondContact O-N 2.88Å; A24-S27 PolarHBondContact O-N 2.92Å; A24-G28 PolarHBondContact O-N 3.48Å; A24-L29 WeakPolarHBondContact CA-O 3.28Å; A24-L29 WeakPolarHBondContact CB-O 3.5Å
25S98.4Very high98.2Very high94 Ų9455.8 Ų55.866%0.65732%0.321SS*.Hα-helixtrans-60.3-32.8178.976.80000113.7K21 E22 L23K21-S25 PolarHBondContact O-N 2.64Å; E22-S25 PolarHBondContact O-N 3.28Å; E22-S25 PolarHBondContact O-OG 3.01Å; L23-S25 PolarHBondContact O-N 2.92Å
26K98.3Very high98.2Very high155 Ų15557 Ų5767%0.67432%0.322SS*.Hα-helixtrans-91.1-25-176.1-71.5178.4174.4177.90113.9E22 L23 A24E22-K26 HydrophobicContact CG-CD 4.14Å; E22-K26 WeakPolarHBondContact O-CG 3.33Å; E22-K26 PolarHBondContact O-N 3.02Å; E22-K26 VanDerWaalsContact O-N 3.12Å; E22-K26 WeakPolarHBondContact OE1-CE 3.41Å; E22-K26 IonicContact OE1-NZ 3.03Å; E22-K26 PolarHBondContact OE1-NZ 3.38Å; L23-K26 PolarHBondContact O-N 2.99Å; A24-K26 PolarHBondContact O-N 2.88Å
27S97.6Very high98.2Very high67 Ų6757.4 Ų57.447%0.46932%0.324SS..Hα-helixtrans-109.3-21-173.165.60000114.1L23 A24 L29L23-S27 VanDerWaalsContact O-CB 3.28Å; L23-S27 WeakPolarHBondContact O-CB 3.4Å; L23-S27 PolarHBondContact O-N 3.3Å; L23-S27 PolarHBondContact O-OG 3.3Å; A24-S27 PolarHBondContact O-N 2.92Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact OG-N 3.23Å
28G96.8Very high98.1Very high69 Ų6955.2 Ų55.271%0.71131%0.311SS*.  trans79.63.4-171.900000114.4A24A24-G28 PolarHBondContact O-N 3.48Å
29L98.2Very high98.1Very high27 Ų2757 Ų5714%0.14131%0.306CS..PPolyproline II helixtrans-68.5151.7171-8668.1000110.7I6 A24 S27 G73 I75I6-L29 HydrophobicContact CD1-CD2 4.4Å; A24-L29 WeakPolarHBondContact CA-O 3.28Å; A24-L29 WeakPolarHBondContact CB-O 3.5Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact OG-N 3.23Å; L29-G73 WeakPolarHBondContact CA-O 3.41Å; L29-G73 WeakPolarHBondContact CB-O 3.32Å; L29-G73 WeakPolarHBondContact CG-O 3.41Å; L29-I75 HydrophobicContact CB-CD1 3.94Å; L29-I75 HydrophobicContact CB-CG1 4Å; L29-I75 HydrophobicContact CD2-CD1 4.22Å; L29-I75 HydrophobicContact CD2-CG1 3.85Å
30K98.3Very high98Very high105 Ų10560.9 Ų60.946%0.45732%0.322SS..EExtended strand (participates in β ladder)trans-78.4130.3175.1-171.9178.6-177.6-174.20109.6I32 G73 V74 I75K30-I32 HydrophobicContact CD-CD1 4.37Å; K30-I32 HydrophobicContact CD-CG1 4.41Å; K30-I32 HydrophobicContact CG-CG1 4.32Å; K30-G73 PolarHBondContact N-O 3.5Å; K30-V74 CarbonylContact O-C 3.56Å; K30-V74 WeakPolarHBondContact O-CA 3.44Å; K30-I75 PolarHBondContact O-N 2.95Å
31Y98.7Very high97.9Very high40 Ų4065.4 Ų65.416%0.15734%0.344CS..EExtended strand (participates in β ladder)trans-97.9134.2171.9169.4-95.2000110.5T17 K21 N33 I75 D77T17-Y31 WeakPolarHBondContact CA-OH 3.37Å; T17-Y31 WeakPolarHBondContact CG2-OH 3.43Å; K21-Y31 HydrophobicContact CG-CD1 3.93Å; K21-Y31 HydrophobicContact CG-CE1 3.89Å; K21-Y31 HydrophobicContact CG-CG 4.39Å; Y31-N33 HydrophobicContact CE1-CB 3.97Å; Y31-I75 WeakPolarHBondContact CA-O 2.96Å; Y31-I75 HydrophobicContact CD2-CG2 4.34Å; Y31-D77 HydrophobicContact CE2-CB 3.65Å; Y31-D77 WeakPolarHBondContact OH-CB 3.34Å; Y31-D77 PolarHBondContact OH-OD2 3.29Å
32I98.6Very high97.9Very high14 Ų1465.6 Ų65.67%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-129.4124.4176.1-58.3-179.1000109K30 L37 L65 Q68 V74 I75 D77K30-I32 HydrophobicContact CD-CD1 4.37Å; K30-I32 HydrophobicContact CD-CG1 4.41Å; K30-I32 HydrophobicContact CG-CG1 4.32Å; I32-L37 HydrophobicContact CG2-CD2 4.43Å; I32-L65 HydrophobicContact CD1-CD2 3.66Å; I32-L65 HydrophobicContact CG2-CD2 4.15Å; I32-Q68 VanDerWaalsContact CD1-OE1 3.25Å; I32-V74 HydrophobicContact CD1-CG1 3.59Å; I32-V74 HydrophobicContact CG1-CG1 3.96Å; I32-I75 PolarHBondContact N-O 3.18Å; I32-D77 PolarHBondContact O-N 3.41Å
33N98.4Very high97.8Very high30 Ų3061.5 Ų61.516%0.1633%0.327CS..EExtended strand (participates in β ladder)trans-96.2116.3165.8-179.4-17.6000108.4Y31 G35 D36 L37Y31-N33 HydrophobicContact CE1-CB 3.97Å; N33-G35 VanDerWaalsContact C-N 3.26Å; N33-G35 PolarHBondContact O-N 3.16Å; N33-G35 PolarHBondContact OD1-N 3.03Å; N33-D36 HydrophobicContact CB-CB 4.04Å; N33-D36 WeakPolarHBondContact CB-OD2 3.27Å; N33-D36 VanDerWaalsContact CG-OD2 3.28Å; N33-D36 PolarHBondContact ND2-OD2 2.88Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.15Å; N33-L37 PolarHBondContact O-N 3.33Å
34V98.3Very high97.8Very high0 Ų061.1 Ų61.10%032%0.322CS..Hα-helixtrans-64.4-32.4-176.7172.30000112A38 L56 V61 L65 V76 D77 Y78 F84V34-A38 WeakPolarHBondContact O-CB 3.31Å; V34-A38 PolarHBondContact O-N 2.83Å; V34-L56 HydrophobicContact CG1-CD2 4.4Å; V34-V61 HydrophobicContact CG1-CG1 3.79Å; V34-V61 HydrophobicContact CG1-CG2 4.45Å; V34-L65 HydrophobicContact CG2-CD1 4.4Å; V34-V76 HydrophobicContact CG2-CG1 3.64Å; V34-D77 PolarHBondContact N-O 3.24Å; V34-D77 VanDerWaalsContact N-O 3.1Å; V34-Y78 HydrophobicContact CB-CD2 3.47Å; V34-Y78 VanDerWaalsContact CB-CD2 3.47Å; V34-Y78 HydrophobicContact CB-CE2 4.08Å; V34-Y78 HydrophobicContact CB-CG 3.78Å; V34-Y78 HydrophobicContact CG1-CD1 4.39Å; V34-Y78 HydrophobicContact CG1-CD2 3.73Å; V34-Y78 HydrophobicContact CG1-CE2 3.88Å; V34-Y78 HydrophobicContact CG1-CG 3.98Å; V34-Y78 HydrophobicContact CG2-CD2 4.43Å; V34-Y78 HydrophobicContact CG2-CG 4.29Å; V34-F84 HydrophobicContact CG2-CE1 4.48Å; V34-F84 HydrophobicContact CG2-CZ 4.02Å
35G96.9Very high97.7Very high22 Ų2266 Ų6623%0.22735%0.345CS..Hα-helixtrans-69.4-32.8176.100000113.5N33 R39N33-G35 VanDerWaalsContact C-N 3.26Å; N33-G35 PolarHBondContact O-N 3.16Å; N33-G35 PolarHBondContact OD1-N 3.03Å; G35-R39 PolarHBondContact O-N 2.75Å
36D97.7Very high97.5Very high52 Ų5263.9 Ų63.928%0.27834%0.338SS..Hα-helixtrans-75.6-42.9175.1-64.2-30.9000110.6N33 A38 R39 E40N33-D36 HydrophobicContact CB-CB 4.04Å; N33-D36 WeakPolarHBondContact CB-OD2 3.27Å; N33-D36 VanDerWaalsContact CG-OD2 3.28Å; N33-D36 PolarHBondContact ND2-OD2 2.88Å; N33-D36 PolarHBondContact O-N 3.09Å; N33-D36 VanDerWaalsContact O-N 3.15Å; D36-A38 VanDerWaalsContact C-N 3.34Å; D36-A38 PolarHBondContact O-N 2.87Å; D36-R39 WeakPolarHBondContact O-CB 3.45Å; D36-R39 PolarHBondContact O-N 3.43Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 IonicContact OD1-CZ 3.81Å; D36-R39 IonicContact OD1-NH1 2.79Å; D36-R39 PolarHBondContact OD1-NH1 2.85Å; D36-R39 IonicContact OD1-NH2 3.95Å; D36-E40 WeakPolarHBondContact O-CG 3.46Å; D36-E40 PolarHBondContact O-N 3.48Å
37L98Very high97.4Very high23 Ų2362.1 Ų62.112%0.1233%0.328CS..Hα-helixtrans-54.7-49.1173.3179.471.2000111.6I32 N33 R39 E40 E41 L43 E64 L65I32-L37 HydrophobicContact CG2-CD2 4.43Å; N33-L37 PolarHBondContact O-N 3.33Å; L37-R39 PolarHBondContact O-N 2.97Å; L37-E40 PolarHBondContact O-N 2.85Å; L37-E41 HydrophobicContact CD1-CG 3.98Å; L37-E41 WeakPolarHBondContact O-CB 3.18Å; L37-E41 PolarHBondContact O-N 3.29Å; L37-L43 HydrophobicContact CD2-CD1 4.45Å; L37-L43 HydrophobicContact CG-CD1 4.21Å; L37-E64 HydrophobicContact CD1-CG 4.15Å; L37-E64 HydrophobicContact CD2-CG 4.28Å; L37-L65 HydrophobicContact CD2-CD1 4.1Å; L37-L65 HydrophobicContact CD2-CD2 3.72Å; L37-L65 HydrophobicContact CD2-CG 3.8Å
38A97.3Very high97.3Very high0 Ų061.3 Ų61.30%032%0.319CS..Hα-helixtrans-60.7-35.5179.500000112.7V34 D36 Q42 L43 Y44 L56V34-A38 WeakPolarHBondContact O-CB 3.31Å; V34-A38 PolarHBondContact O-N 2.83Å; D36-A38 VanDerWaalsContact C-N 3.34Å; D36-A38 PolarHBondContact O-N 2.87Å; A38-Q42 CarbonylContact O-C 3.58Å; A38-Q42 VanDerWaalsContact O-CA 3.27Å; A38-Q42 WeakPolarHBondContact O-CA 3.42Å; A38-Q42 PolarHBondContact O-N 2.89Å; A38-L43 HydrophobicContact CB-CB 4.19Å; A38-L43 PolarHBondContact O-N 3.04Å; A38-Y44 HydrophobicContact CB-CE1 3.94Å; A38-Y44 WeakPolarHBondContact O-CE2 3.47Å; A38-L56 HydrophobicContact CB-CD1 3.28Å
39R96.6Very high97.2Very high140 Ų14066.7 Ų66.753%0.52833%0.325SS..Hα-helixtrans-70.8-44.6176.7-170.2-172.3-59107.83.3111.5G35 D36 L37 Q42 Y44G35-R39 PolarHBondContact O-N 2.75Å; D36-R39 WeakPolarHBondContact O-CB 3.45Å; D36-R39 PolarHBondContact O-N 3.43Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 IonicContact OD1-CZ 3.81Å; D36-R39 IonicContact OD1-NH1 2.79Å; D36-R39 PolarHBondContact OD1-NH1 2.85Å; D36-R39 IonicContact OD1-NH2 3.95Å; L37-R39 PolarHBondContact O-N 2.97Å; R39-Q42 PolarHBondContact O-NE2 3.47Å; R39-Y44 VanDerWaalsContact CA-OH 3.3Å; R39-Y44 WeakPolarHBondContact CA-OH 3.4Å; R39-Y44 PolarHBondContact N-OH 2.83Å
40E97.4Very high97.1Very high145 Ų14572.6 Ų72.668%0.67835%0.352SS*.Hα-helixtrans-66.2-43.8-178.7-71.9173.5-17400111.4D36 L37D36-E40 WeakPolarHBondContact O-CG 3.46Å; D36-E40 PolarHBondContact O-N 3.48Å; L37-E40 PolarHBondContact O-N 2.85Å
41E97.1Very high96.8Very high96 Ų9675.1 Ų75.145%0.44936%0.36SS..THydrogen-bonded Turntrans-96.54.5-175.4-58.3-57.8149.500113.7L37 L43L37-E41 HydrophobicContact CD1-CG 3.98Å; L37-E41 WeakPolarHBondContact O-CB 3.18Å; L37-E41 PolarHBondContact O-N 3.29Å; E41-L43 HydrophobicContact CB-CD1 4.08Å; E41-L43 HydrophobicContact CB-CD2 3.72Å; E41-L43 HydrophobicContact CB-CG 3.71Å; E41-L43 WeakPolarHBondContact O-CD2 3.48Å; E41-L43 PolarHBondContact O-N 3.27Å
42Q97.1Very high96.6Very high123 Ų12379 Ų7958%0.57538%0.384SS*.THydrogen-bonded Turntrans51.253-179.5-60.7-70.3-66.100112.3A38 R39 Y44 R60A38-Q42 CarbonylContact O-C 3.58Å; A38-Q42 VanDerWaalsContact O-CA 3.27Å; A38-Q42 WeakPolarHBondContact O-CA 3.42Å; A38-Q42 PolarHBondContact O-N 2.89Å; R39-Q42 PolarHBondContact O-NE2 3.47Å; Q42-Y44 VanDerWaalsContact C-N 3.29Å; Q42-Y44 PolarHBondContact O-N 3.47Å; Q42-R60 PolarHBondContact O-NH1 3.1Å; Q42-R60 PolarHBondContact O-NH2 3.15Å
43L97.6Very high96.4Very high6 Ų680.9 Ų80.93%0.03140%0.397CS..  trans-90.561.4-177.4-49179.6000110.7L37 A38 E41 D57 R60 V61 E64L37-L43 HydrophobicContact CD2-CD1 4.45Å; L37-L43 HydrophobicContact CG-CD1 4.21Å; A38-L43 HydrophobicContact CB-CB 4.19Å; A38-L43 PolarHBondContact O-N 3.04Å; E41-L43 HydrophobicContact CB-CD1 4.08Å; E41-L43 HydrophobicContact CB-CD2 3.72Å; E41-L43 HydrophobicContact CB-CG 3.71Å; E41-L43 WeakPolarHBondContact O-CD2 3.48Å; E41-L43 PolarHBondContact O-N 3.27Å; L43-D57 PolarHBondContact O-N 2.95Å; L43-R60 HydrophobicContact CD2-CB 4.19Å; L43-V61 HydrophobicContact CB-CG2 4.09Å; L43-V61 HydrophobicContact CD1-CG2 3.76Å; L43-E64 HydrophobicContact CD1-CB 4.31Å; L43-E64 HydrophobicContact CD1-CG 4.46Å
44Y97.6Very high96.2Very high59 Ų5982.2 Ų82.223%0.23141%0.407CS..EExtended strand (participates in β ladder)trans-126.1144.8-178.5-55.8-63.3000110.8A38 R39 Q42 P54 I55 L56A38-Y44 HydrophobicContact CB-CE1 3.94Å; A38-Y44 WeakPolarHBondContact O-CE2 3.47Å; R39-Y44 VanDerWaalsContact CA-OH 3.3Å; R39-Y44 WeakPolarHBondContact CA-OH 3.4Å; R39-Y44 PolarHBondContact N-OH 2.83Å; Q42-Y44 VanDerWaalsContact C-N 3.29Å; Q42-Y44 PolarHBondContact O-N 3.47Å; Y44-P54 HydrophobicContact CD1-CB 3.56Å; Y44-P54 HydrophobicContact CD2-CB 3.81Å; Y44-P54 HydrophobicContact CD2-CG 4.27Å; Y44-P54 HydrophobicContact CE1-CB 4.06Å; Y44-P54 HydrophobicContact CE2-CB 4.27Å; Y44-P54 HydrophobicContact CE2-CG 4.41Å; Y44-P54 HydrophobicContact CG-CB 3.42Å; Y44-P54 VanDerWaalsContact CG-CB 3.42Å; Y44-P54 HydrophobicContact CG-CG 4.36Å; Y44-I55 CarbonylContact C-O 3.51Å; Y44-I55 WeakPolarHBondContact CA-O 3.19Å; Y44-I55 WeakPolarHBondContact CB-O 3.38Å; Y44-L56 HydrophobicContact CE1-CD1 4.31Å
45D96.3Very high96.1Very high119 Ų11985.9 Ų85.964%0.63643%0.426SS*.EExtended strand (participates in β ladder)trans-133.2104.6171.2-174.419.9000109.8I55 D57D45-I55 PolarHBondContact N-O 3.48Å; D45-I55 WeakPolarHBondContact O-CB 3.45Å; D45-D57 HydrophobicContact CB-CB 4.08Å
46G95.6Very high96.1Very high49 Ų4986.2 Ų86.251%0.50542%0.423SS..EExtended strand (participates in β ladder)trans87.9-178.3-175.200000114.5I55G46-I55 PolarHBondContact O-N 3.25Å; G46-I55 VanDerWaalsContact O-N 3.17Å
47Y95.9Very high96.1Very high118 Ų11885.2 Ų85.246%0.46342%0.417SS..EExtended strand (participates in β ladder)trans-142.4136-175.6-163.1-93.7000109.7D52 P54Y47-D52 WeakPolarHBondContact CE1-OD1 3.33Å; Y47-D52 PolarHBondContact OH-O 2.93Å; Y47-D52 PolarHBondContact OH-OD1 3.24Å; Y47-P54 HydrophobicContact CD2-CB 4.47Å; Y47-P54 HydrophobicContact CD2-CG 4.23Å; Y47-P54 HydrophobicContact CE2-CG 4.15Å
48D94.4Very high96.1Very high51 Ų5188.4 Ų88.427%0.27343%0.432SS..EExtended strand (participates in β ladder)trans-94108.8175.9-168.6-46.3000109.1E50 Y51 D52 C53 I55D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.48Å; D48-E50 WeakPolarHBondContact OD1-CB 3.25Å; D48-E50 PolarHBondContact OD1-N 2.62Å; D48-Y51 PolarHBondContact OD1-N 2.98Å; D48-D52 WeakPolarHBondContact O-CA 3.37Å; D48-D52 PolarHBondContact O-N 3.12Å; D48-C53 WeakPolarHBondContact CB-O 3.32Å; D48-C53 PolarHBondContact N-O 3.41Å; D48-C53 PolarHBondContact O-N 2.71Å; D48-C53 VanDerWaalsContact O-N 3.16Å; D48-I55 HydrophobicContact CB-CD1 4.36Å; D48-I55 HydrophobicContact CB-CG1 4Å
49E96.1Very high96.1Very high181 Ų18194.4 Ų94.485%0.84646%0.464SS*.THydrogen-bonded Turntrans-72.6-24.6179.6-65.5-172.1174.100113.1
50E96.1Very high96.2Very high152 Ų15292.7 Ų92.771%0.7146%0.457SS*.THydrogen-bonded Turntrans-72.6-41.6-179.8-178.5-179.8152.900110.6D48D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.48Å; D48-E50 WeakPolarHBondContact OD1-CB 3.25Å; D48-E50 PolarHBondContact OD1-N 2.62Å
51Y91.9Very high96.2Very high157 Ų15785.8 Ų85.862%0.61643%0.425SS*.THydrogen-bonded Turntrans-101.32.2-177.8-64.8-77.3000114D48 C53D48-Y51 PolarHBondContact OD1-N 2.98Å; Y51-C53 VanDerWaalsContact C-N 3.32Å; Y51-C53 PolarHBondContact O-N 3.41Å
52D94.6Very high96.2Very high123 Ų12382.3 Ų82.366%0.65841%0.41SS*.THydrogen-bonded Turntrans48.550.2-178.7-163.831.3000112.4Y47 D48Y47-D52 WeakPolarHBondContact CE1-OD1 3.33Å; Y47-D52 PolarHBondContact OH-O 2.93Å; Y47-D52 PolarHBondContact OH-OD1 3.24Å; D48-D52 WeakPolarHBondContact O-CA 3.37Å; D48-D52 PolarHBondContact O-N 3.12Å
53C93Very high96.3Very high52 Ų5282.3 Ų82.335%0.35141%0.414SS..EExtended strand (participates in β ladder)trans-147.1153.8-178.865.20000114.2D48 Y51D48-C53 WeakPolarHBondContact CB-O 3.32Å; D48-C53 PolarHBondContact N-O 3.41Å; D48-C53 PolarHBondContact O-N 2.71Å; D48-C53 VanDerWaalsContact O-N 3.16Å; Y51-C53 VanDerWaalsContact C-N 3.32Å; Y51-C53 PolarHBondContact O-N 3.41Å
54P95.1Very high96.3Very high58 Ų5886 Ų8638%0.37743%0.431SS..EExtended strand (participates in β ladder)trans-65.5145173-2033000112.5Y44 Y47Y44-P54 HydrophobicContact CD1-CB 3.56Å; Y44-P54 HydrophobicContact CD2-CB 3.81Å; Y44-P54 HydrophobicContact CD2-CG 4.27Å; Y44-P54 HydrophobicContact CE1-CB 4.06Å; Y44-P54 HydrophobicContact CE2-CB 4.27Å; Y44-P54 HydrophobicContact CE2-CG 4.41Å; Y44-P54 HydrophobicContact CG-CB 3.42Å; Y44-P54 VanDerWaalsContact CG-CB 3.42Å; Y44-P54 HydrophobicContact CG-CG 4.36Å; Y47-P54 HydrophobicContact CD2-CB 4.47Å; Y47-P54 HydrophobicContact CD2-CG 4.23Å; Y47-P54 HydrophobicContact CE2-CG 4.15Å
55I96Very high96.3Very high78 Ų7883.2 Ų83.240%0.442%0.42SS..EExtended strand (participates in β ladder)trans-87.5131176.3-59.8168.6000108.7Y44 D45 G46 D48 D57Y44-I55 CarbonylContact C-O 3.51Å; Y44-I55 WeakPolarHBondContact CA-O 3.19Å; Y44-I55 WeakPolarHBondContact CB-O 3.38Å; D45-I55 PolarHBondContact N-O 3.48Å; D45-I55 WeakPolarHBondContact O-CB 3.45Å; G46-I55 PolarHBondContact O-N 3.25Å; G46-I55 VanDerWaalsContact O-N 3.17Å; D48-I55 HydrophobicContact CB-CD1 4.36Å; D48-I55 HydrophobicContact CB-CG1 4Å; I55-D57 PolarHBondContact O-N 3.11Å
56L97.3Very high96.4Very high29 Ų2978.5 Ų78.515%0.15240%0.395CS..EExtended strand (participates in β ladder)trans-65132.4-179.1-171.874.4000111.2V34 A38 Y44 E58 V61 Y78 F83V34-L56 HydrophobicContact CG1-CD2 4.4Å; A38-L56 HydrophobicContact CB-CD1 3.28Å; Y44-L56 HydrophobicContact CE1-CD1 4.31Å; L56-E58 PolarHBondContact O-N 3.32Å; L56-V61 HydrophobicContact CD1-CG2 3.82Å; L56-V61 HydrophobicContact CD2-CG2 4.16Å; L56-V61 HydrophobicContact CG-CG2 4.08Å; L56-Y78 HydrophobicContact CD2-CE1 4.09Å; L56-Y78 VanDerWaalsContact CD2-OH 3.25Å; L56-Y78 WeakPolarHBondContact CD2-OH 3.31Å; L56-F83 HydrophobicContact CD2-CZ 4.19Å
57D97.8Very high96.4Very high31 Ų3181.6 Ų81.617%0.16640%0.4CS..  trans-86.799.4167.9-172.8-36.6000109.4L43 D45 I55 D59 R60 V61L43-D57 PolarHBondContact O-N 2.95Å; D45-D57 HydrophobicContact CB-CB 4.08Å; I55-D57 PolarHBondContact O-N 3.11Å; D57-D59 PolarHBondContact OD1-N 3.41Å; D57-R60 HydrophobicContact CB-CB 4.16Å; D57-R60 HydrophobicContact CB-CG 4.36Å; D57-R60 VanDerWaalsContact CG-CD 3.49Å; D57-R60 VanDerWaalsContact CG-CG 3.48Å; D57-R60 WeakPolarHBondContact OD1-CG 3.37Å; D57-R60 PolarHBondContact OD1-N 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.45Å; D57-R60 WeakPolarHBondContact OD2-CG 3.12Å; D57-V61 WeakPolarHBondContact O-CG2 3.24Å; D57-V61 PolarHBondContact O-N 3.32Å; D57-V61 VanDerWaalsContact O-N 3.14Å
58E97.1Very high96.4Very high90 Ų9078.7 Ų78.742%0.42139%0.391SS..Hα-helixtrans-64.9-39.9-174.9-65.9-177.5167.500112.9L56 V61 V62 F83L56-E58 PolarHBondContact O-N 3.32Å; E58-V61 PolarHBondContact O-N 2.97Å; E58-V62 WeakPolarHBondContact O-CG2 3.13Å; E58-V62 PolarHBondContact O-N 3.28Å; E58-F83 HydrophobicContact CB-CB 4.03Å; E58-F83 HydrophobicContact CB-CD1 4.33Å; E58-F83 HydrophobicContact CB-CD2 3.82Å; E58-F83 HydrophobicContact CB-CE2 4.33Å; E58-F83 HydrophobicContact CB-CG 3.82Å; E58-F83 VanDerWaalsContact CD-CD1 3.49Å; E58-F83 HydrophobicContact CG-CB 4.27Å; E58-F83 HydrophobicContact CG-CD1 3.83Å; E58-F83 HydrophobicContact CG-CD2 4.17Å; E58-F83 HydrophobicContact CG-CE1 4.16Å; E58-F83 HydrophobicContact CG-CE2 4.46Å; E58-F83 HydrophobicContact CG-CG 3.85Å; E58-F83 HydrophobicContact CG-CZ 4.46Å; E58-F83 WeakPolarHBondContact OE1-CD1 3.48Å; E58-F83 WeakPolarHBondContact OE2-CB 3.48Å
59D97.4Very high96.6Very high126 Ų12676.6 Ų76.667%0.67438%0.38SS*.Hα-helixtrans-65.2-44.7-179.7-76.6-24.9000110.5D57 V61 V62 D63D57-D59 PolarHBondContact OD1-N 3.41Å; D59-V61 VanDerWaalsContact C-N 3.32Å; D59-V61 PolarHBondContact O-N 3.31Å; D59-V62 PolarHBondContact O-N 3.14Å; D59-V62 VanDerWaalsContact O-N 3.11Å; D59-D63 PolarHBondContact O-N 3.04Å
60R98.1Very high96.6Very high103 Ų10375.6 Ų75.639%0.38937%0.368SS..Hα-helixtrans-66.2-33.1177.1-70.3179.166.2-154.5-7.7112.8Q42 L43 D57 V62 E64Q42-R60 PolarHBondContact O-NH1 3.1Å; Q42-R60 PolarHBondContact O-NH2 3.15Å; L43-R60 HydrophobicContact CD2-CB 4.19Å; D57-R60 HydrophobicContact CB-CB 4.16Å; D57-R60 HydrophobicContact CB-CG 4.36Å; D57-R60 VanDerWaalsContact CG-CD 3.49Å; D57-R60 VanDerWaalsContact CG-CG 3.48Å; D57-R60 WeakPolarHBondContact OD1-CG 3.37Å; D57-R60 PolarHBondContact OD1-N 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.45Å; D57-R60 WeakPolarHBondContact OD2-CG 3.12Å; R60-V62 VanDerWaalsContact C-N 3.33Å; R60-E64 WeakPolarHBondContact O-CB 3.43Å; R60-E64 PolarHBondContact O-N 3.4Å
61V98.2Very high96.6Very high0 Ų075.4 Ų75.40%037%0.367CS..Hα-helixtrans-64.1-40.8171.7168.90000110.9V34 L43 L56 D57 E58 D59 L65 F83 F84V34-V61 HydrophobicContact CG1-CG1 3.79Å; V34-V61 HydrophobicContact CG1-CG2 4.45Å; L43-V61 HydrophobicContact CB-CG2 4.09Å; L43-V61 HydrophobicContact CD1-CG2 3.76Å; L56-V61 HydrophobicContact CD1-CG2 3.82Å; L56-V61 HydrophobicContact CD2-CG2 4.16Å; L56-V61 HydrophobicContact CG-CG2 4.08Å; D57-V61 WeakPolarHBondContact O-CG2 3.24Å; D57-V61 PolarHBondContact O-N 3.32Å; D57-V61 VanDerWaalsContact O-N 3.14Å; E58-V61 PolarHBondContact O-N 2.97Å; D59-V61 VanDerWaalsContact C-N 3.32Å; D59-V61 PolarHBondContact O-N 3.31Å; V61-L65 HydrophobicContact CG1-CD1 4.03Å; V61-L65 WeakPolarHBondContact O-CG 2.87Å; V61-L65 PolarHBondContact O-N 3.36Å; V61-F83 HydrophobicContact CB-CE2 4.39Å; V61-F83 HydrophobicContact CG1-CE2 3.98Å; V61-F84 HydrophobicContact CG1-CE1 4.34Å
62V98.1Very high96.9Very high24 Ų2468.7 Ų68.715%0.14535%0.346CS..Hα-helixtrans-64.2-46.6178.1171.70000111E58 D59 R60 E64 L65 D66 F83 P85 W88E58-V62 WeakPolarHBondContact O-CG2 3.13Å; E58-V62 PolarHBondContact O-N 3.28Å; D59-V62 PolarHBondContact O-N 3.14Å; D59-V62 VanDerWaalsContact O-N 3.11Å; R60-V62 VanDerWaalsContact C-N 3.33Å; V62-E64 PolarHBondContact O-N 2.74Å; V62-L65 PolarHBondContact O-N 2.7Å; V62-D66 PolarHBondContact O-N 2.88Å; V62-F83 HydrophobicContact CG2-CD2 3.89Å; V62-F83 HydrophobicContact CG2-CE2 4.43Å; V62-P85 HydrophobicContact CG1-CG 3.96Å; V62-W88 HydrophobicContact CB-CH2 4.31Å; V62-W88 HydrophobicContact CG1-CH2 4.09Å; V62-W88 HydrophobicContact CG1-CZ2 3.94Å; V62-W88 HydrophobicContact CG2-CH2 4.36Å
63D98Very high97.1Very high123 Ų12363.1 Ų63.166%0.65832%0.317SS*.Hα-helixtrans-60.5-43.8178.8-77.5-17.7000112.3D59 L65D59-D63 PolarHBondContact O-N 3.04Å; D63-L65 VanDerWaalsContact C-N 3.3Å; D63-L65 PolarHBondContact O-N 2.94Å
64E98.2Very high97.3Very high82 Ų8260.8 Ų60.838%0.38330%0.302SS..Hα-helixtrans-63.6-35.7179.8-176.753.5-143.700112.2L37 L43 R60 V62L37-E64 HydrophobicContact CD1-CG 4.15Å; L37-E64 HydrophobicContact CD2-CG 4.28Å; L43-E64 HydrophobicContact CD1-CB 4.31Å; L43-E64 HydrophobicContact CD1-CG 4.46Å; R60-E64 WeakPolarHBondContact O-CB 3.43Å; R60-E64 PolarHBondContact O-N 3.4Å; V62-E64 PolarHBondContact O-N 2.74Å
65L98.1Very high97.5Very high1 Ų158.1 Ų58.11%0.00528%0.284CS..Hα-helixtrans-89.6-21.6-176.1-71.6176.4000114.4I32 V34 L37 V61 V62 D63 N67 Q68 M69 W88I32-L65 HydrophobicContact CD1-CD2 3.66Å; I32-L65 HydrophobicContact CG2-CD2 4.15Å; V34-L65 HydrophobicContact CG2-CD1 4.4Å; L37-L65 HydrophobicContact CD2-CD1 4.1Å; L37-L65 HydrophobicContact CD2-CD2 3.72Å; L37-L65 HydrophobicContact CD2-CG 3.8Å; V61-L65 HydrophobicContact CG1-CD1 4.03Å; V61-L65 WeakPolarHBondContact O-CG 2.87Å; V61-L65 PolarHBondContact O-N 3.36Å; V62-L65 PolarHBondContact O-N 2.7Å; D63-L65 VanDerWaalsContact C-N 3.3Å; D63-L65 PolarHBondContact O-N 2.94Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.27Å; L65-N67 VanDerWaalsContact O-N 3.16Å; L65-Q68 PolarHBondContact O-N 2.86Å; L65-Q68 VanDerWaalsContact O-N 3.09Å; L65-M69 HydrophobicContact CB-CG 4.16Å; L65-M69 VanDerWaalsContact O-CG 3.29Å; L65-M69 WeakPolarHBondContact O-CG 3.37Å; L65-M69 PolarHBondContact O-N 3.37Å; L65-W88 HydrophobicContact CB-CH2 3.49Å; L65-W88 VanDerWaalsContact CB-CH2 3.49Å; L65-W88 HydrophobicContact CB-CZ2 4.23Å; L65-W88 HydrophobicContact CB-CZ3 3.96Å; L65-W88 HydrophobicContact CD1-CH2 4.36Å; L65-W88 HydrophobicContact CD1-CZ3 4.13Å
66D97.5Very high97.6Very high21 Ų2154.4 Ų54.411%0.11227%0.265CS..Hα-helixtrans-56.8-40.9-166.4-16761.4000113.4V62 M69 R70 R87 W88V62-D66 PolarHBondContact O-N 2.88Å; D66-M69 PolarHBondContact O-N 3.26Å; D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 3.1Å; D66-R70 IonicContact OD1-NE 2.62Å; D66-R70 IonicContact OD2-CZ 2.79Å; D66-R70 IonicContact OD2-NE 3.91Å; D66-R70 PolarHBondContact OD2-NE 3.23Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 3.18Å; D66-R87 IonicContact OD1-CZ 3.54Å; D66-R87 IonicContact OD1-NH1 2.77Å; D66-R87 PolarHBondContact OD1-NH1 3.23Å; D66-R87 IonicContact OD1-NH2 3.36Å; D66-R87 PolarHBondContact OD1-NH2 2.79Å; D66-W88 HydrophobicContact CB-CZ2 4.11Å; D66-W88 PolarHBondContact OD1-NE1 2.88Å
67N96.4Very high97.7Very high114 Ų11453.2 Ų53.261%0.6126%0.259SS*.Hα-helixtrans-64.5-47.3178.3-75.8-28.7000112.2L65 M69 R70 E71L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.27Å; L65-N67 VanDerWaalsContact O-N 3.16Å; N67-M69 VanDerWaalsContact C-N 3.31Å; N67-M69 PolarHBondContact O-N 3.4Å; N67-R70 PolarHBondContact O-N 3.27Å; N67-E71 PolarHBondContact O-N 2.92Å
68Q95.9Very high97.7Very high57 Ų5753.2 Ų53.227%0.26626%0.257SS..Hα-helixtrans-65.7-37.8179.6-65.5-178.414.400111.3I32 L65 R70 E71 G72I32-Q68 VanDerWaalsContact CD1-OE1 3.25Å; L65-Q68 PolarHBondContact O-N 2.86Å; L65-Q68 VanDerWaalsContact O-N 3.09Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.11Å; Q68-E71 PolarHBondContact O-N 3.21Å; Q68-G72 PolarHBondContact O-N 3.08Å
69M97.8Very high97.7Very high7 Ų753.8 Ų53.83%0.03426%0.259CS..Hα-helixtrans-67.3-31.6177.9-64.2-56.3-71.500112.2N5 L65 D66 N67 V74 V76 W88 F89N5-M69 HydrophobicContact CB-CE 3.9Å; N5-M69 PolarHBondContact ND2-O 3.04Å; L65-M69 HydrophobicContact CB-CG 4.16Å; L65-M69 VanDerWaalsContact O-CG 3.29Å; L65-M69 WeakPolarHBondContact O-CG 3.37Å; L65-M69 PolarHBondContact O-N 3.37Å; D66-M69 PolarHBondContact O-N 3.26Å; N67-M69 VanDerWaalsContact C-N 3.31Å; N67-M69 PolarHBondContact O-N 3.4Å; M69-V74 HydrophobicContact SD-CB 3.79Å; M69-V74 HydrophobicContact SD-CG1 3.8Å; M69-V74 HydrophobicContact SD-CG2 4.13Å; M69-V76 HydrophobicContact CE-CG2 3.93Å; M69-V76 HydrophobicContact SD-CG2 3.85Å; M69-W88 HydrophobicContact CB-CD2 3.87Å; M69-W88 HydrophobicContact CB-CE3 4.48Å; M69-W88 HydrophobicContact CB-CG 3.92Å; M69-W88 HydrophobicContact CB-CZ2 4.41Å; M69-W88 HydrophobicContact CE-CB 3.71Å; M69-W88 HydrophobicContact CE-CD2 4.11Å; M69-W88 HydrophobicContact CE-CE3 3.97Å; M69-W88 HydrophobicContact CE-CG 4.05Å; M69-W88 HydrophobicContact CG-CD2 3.69Å; M69-W88 HydrophobicContact CG-CE3 3.8Å; M69-W88 HydrophobicContact CG-CG 4.16Å; M69-W88 HydrophobicContact CG-CH2 4.22Å; M69-W88 HydrophobicContact CG-CZ2 4.15Å; M69-W88 HydrophobicContact CG-CZ3 4.05Å; M69-F89 HydrophobicContact CE-CD1 3.98Å; M69-F89 HydrophobicContact CE-CE1 3.46Å; M69-F89 VanDerWaalsContact CE-CE1 3.46Å; M69-F89 HydrophobicContact CE-CZ 4.02Å
70R96.4Very high97.4Very high160 Ų16048.7 Ų48.760%0.60424%0.237SC*.Hα-helixtrans-69.4-34.4173.1-73.6172.3-174.9-159.84113.3D66 N67 Q68 G72D66-R70 VanDerWaalsContact O-CG 3.26Å; D66-R70 WeakPolarHBondContact O-CG 3.42Å; D66-R70 PolarHBondContact O-N 3.1Å; D66-R70 IonicContact OD1-NE 2.62Å; D66-R70 IonicContact OD2-CZ 2.79Å; D66-R70 IonicContact OD2-NE 3.91Å; D66-R70 PolarHBondContact OD2-NE 3.23Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R70 PolarHBondContact OD2-NH2 3.18Å; N67-R70 PolarHBondContact O-N 3.27Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.11Å; R70-G72 VanDerWaalsContact C-N 3.31Å
71E96.3Very high97.2Very high147 Ų14746.8 Ų46.869%0.68724%0.238SC*.Hα-helixtrans-70.6-29.6177.2-69.6177.5-179.900112.3L2 N67 Q68L2-E71 VanDerWaalsContact CD1-O 3.31Å; L2-E71 WeakPolarHBondContact CD1-O 3.35Å; N67-E71 PolarHBondContact O-N 2.92Å; Q68-E71 PolarHBondContact O-N 3.21Å
72G97.7Very high97.1Very high16 Ų1653.5 Ų53.517%0.16527%0.274CS..BIsolated β-bridgetrans86.2173.6176.500000113.9L3 N5 Q68 R70L3-G72 WeakPolarHBondContact O-CA 3.41Å; N5-G72 VanDerWaalsContact OD1-C 3.29Å; N5-G72 VanDerWaalsContact OD1-CA 3.23Å; N5-G72 WeakPolarHBondContact OD1-CA 3.27Å; Q68-G72 PolarHBondContact O-N 3.08Å; R70-G72 VanDerWaalsContact C-N 3.31Å
73G98.2Very high97Very high6 Ų654 Ų546%0.06227%0.274CS..  trans81.329.8178.300000114.6L3 P4 N5 L29 K30L3-G73 VanDerWaalsContact CB-CA 3.45Å; L3-G73 PolarHBondContact O-N 3.26Å; L3-G73 VanDerWaalsContact O-N 3.1Å; P4-G73 VanDerWaalsContact O-CA 3.31Å; P4-G73 WeakPolarHBondContact O-CA 3.31Å; P4-G73 PolarHBondContact O-N 3.04Å; N5-G73 PolarHBondContact OD1-N 3.08Å; L29-G73 WeakPolarHBondContact CA-O 3.41Å; L29-G73 WeakPolarHBondContact CB-O 3.32Å; L29-G73 WeakPolarHBondContact CG-O 3.41Å; K30-G73 PolarHBondContact N-O 3.5Å
74V98.6Very high97Very high4 Ų448.8 Ų48.82%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-113134.4-175.6-172.20000111.7N5 I6 K30 I32 M69 V76N5-V74 CarbonylContact C-O 3.53Å; N5-V74 WeakPolarHBondContact CA-O 3.26Å; N5-V74 PolarHBondContact OD1-N 2.92Å; I6-V74 PolarHBondContact N-O 3.06Å; K30-V74 CarbonylContact O-C 3.56Å; K30-V74 WeakPolarHBondContact O-CA 3.44Å; I32-V74 HydrophobicContact CD1-CG1 3.59Å; I32-V74 HydrophobicContact CG1-CG1 3.96Å; M69-V74 HydrophobicContact SD-CB 3.79Å; M69-V74 HydrophobicContact SD-CG1 3.8Å; M69-V74 HydrophobicContact SD-CG2 4.13Å; V74-V76 HydrophobicContact CG1-CG2 3.86Å
75I98.8Very high97Very high2 Ų246.1 Ų46.11%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-104.9112.8167.6-55.2172.3000107.3I6 L8 L23 L29 K30 Y31 I32I6-I75 WeakPolarHBondContact O-CA 3.29Å; L8-I75 HydrophobicContact CD1-CG2 3.86Å; L8-I75 HydrophobicContact CG-CG2 4.01Å; L23-I75 HydrophobicContact CB-CD1 3.64Å; L23-I75 HydrophobicContact CD1-CD1 4.46Å; L29-I75 HydrophobicContact CB-CD1 3.94Å; L29-I75 HydrophobicContact CB-CG1 4Å; L29-I75 HydrophobicContact CD2-CD1 4.22Å; L29-I75 HydrophobicContact CD2-CG1 3.85Å; K30-I75 PolarHBondContact O-N 2.95Å; Y31-I75 WeakPolarHBondContact CA-O 2.96Å; Y31-I75 HydrophobicContact CD2-CG2 4.34Å; I32-I75 PolarHBondContact N-O 3.18Å
76V98.7Very high97Very high0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-97.5131.7177.4-178.40000109.4I6 L7 L8 V34 M69 V74 F84 F89I6-V76 PolarHBondContact O-N 2.93Å; L7-V76 HydrophobicContact CD1-CB 4.14Å; L7-V76 HydrophobicContact CD1-CG1 4.06Å; L8-V76 PolarHBondContact N-O 3.49Å; V34-V76 HydrophobicContact CG2-CG1 3.64Å; M69-V76 HydrophobicContact CE-CG2 3.93Å; M69-V76 HydrophobicContact SD-CG2 3.85Å; V74-V76 HydrophobicContact CG1-CG2 3.86Å; V76-F84 HydrophobicContact CG1-CZ 4.37Å; V76-F89 HydrophobicContact CB-CE1 3.89Å; V76-F89 HydrophobicContact CB-CZ 4.15Å; V76-F89 HydrophobicContact CG1-CZ 4.43Å; V76-F89 HydrophobicContact CG2-CE1 3.77Å; V76-F89 HydrophobicContact CG2-CZ 4.17Å
77D98.3Very high97Very high4 Ų461.7 Ų61.72%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-112.8116.3171.3173.14.7000109.6K16 T17 Y31 I32 V34K16-D77 VanDerWaalsContact CB-CG 3.43Å; K16-D77 WeakPolarHBondContact CB-OD1 3.14Å; K16-D77 WeakPolarHBondContact CB-OD2 3.33Å; K16-D77 VanDerWaalsContact CD-OD1 3.24Å; K16-D77 WeakPolarHBondContact CD-OD1 3.46Å; K16-D77 WeakPolarHBondContact CE-OD1 3.38Å; T17-D77 WeakPolarHBondContact CA-OD2 3.48Å; T17-D77 WeakPolarHBondContact CB-OD2 3.4Å; T17-D77 PolarHBondContact N-OD2 3.36Å; T17-D77 PolarHBondContact OG1-OD2 3.12Å; Y31-D77 HydrophobicContact CE2-CB 3.65Å; Y31-D77 WeakPolarHBondContact OH-CB 3.34Å; Y31-D77 PolarHBondContact OH-OD2 3.29Å; I32-D77 PolarHBondContact O-N 3.41Å; V34-D77 PolarHBondContact N-O 3.24Å; V34-D77 VanDerWaalsContact N-O 3.1Å
78Y98.4Very high97Very high31 Ų3156.5 Ų56.512%0.12227%0.273CS..  trans-153.6160.9166.4-159.1-125.2000112.1L8 T9 V34 L56 G80 F83 F84L8-Y78 PolarHBondContact O-N 2.93Å; T9-Y78 VanDerWaalsContact CA-O 3.27Å; T9-Y78 WeakPolarHBondContact CA-O 3.34Å; T9-Y78 WeakPolarHBondContact CB-O 3.38Å; T9-Y78 PolarHBondContact OG1-O 3.45Å; V34-Y78 HydrophobicContact CB-CD2 3.47Å; V34-Y78 VanDerWaalsContact CB-CD2 3.47Å; V34-Y78 HydrophobicContact CB-CE2 4.08Å; V34-Y78 HydrophobicContact CB-CG 3.78Å; V34-Y78 HydrophobicContact CG1-CD1 4.39Å; V34-Y78 HydrophobicContact CG1-CD2 3.73Å; V34-Y78 HydrophobicContact CG1-CE2 3.88Å; V34-Y78 HydrophobicContact CG1-CG 3.98Å; V34-Y78 HydrophobicContact CG2-CD2 4.43Å; V34-Y78 HydrophobicContact CG2-CG 4.29Å; L56-Y78 HydrophobicContact CD2-CE1 4.09Å; L56-Y78 VanDerWaalsContact CD2-OH 3.25Å; L56-Y78 WeakPolarHBondContact CD2-OH 3.31Å; Y78-G80 WeakPolarHBondContact CD1-O 3.38Å; Y78-F83 HydrophobicContact CD1-CE1 4.07Å; Y78-F83 HydrophobicContact CD1-CZ 4.09Å; Y78-F83 AromaticContact CE1-CE1 3.88Å; Y78-F83 HydrophobicContact CE1-CE1 3.88Å; Y78-F83 HydrophobicContact CE1-CZ 4.04Å; Y78-F84 HydrophobicContact CD1-CE2 4.48Å; Y78-F84 HydrophobicContact CD1-CZ 4.34Å
79H96.3Very high97.2Very high101 Ų10155.2 Ų55.247%0.46827%0.266SS..SBendtrans-90.1-26.6-178.765.4-80.8000113.3T9 P12T9-H79 PolarHBondContact OG1-O 2.99Å; P12-H79 HydrophobicContact CG-CB 4.44Å
80G92.4Very high97.2Very high20 Ų2060.3 Ų60.321%0.20629%0.29CS..  trans-95.1166.9166.300000112Y78Y78-G80 WeakPolarHBondContact CD1-O 3.38Å
81C93.8Very high97.3Very high62 Ų6256.5 Ų56.542%0.41928%0.281SS..  trans-158.5-2.9-179.363.50000116.9L7 F84L7-C81 HydrophobicContact CD2-CB 3.71Å; C81-F84 HydrophobicContact CB-CD2 4.17Å
82D94.9Very high97.4Very high141 Ų14153 Ų5375%0.75427%0.269SS*.THydrogen-bonded Turntrans-71.7-26.9-174.547.5-6.4000114.2
83F96.8Very high97.4Very high34 Ų3456.8 Ų56.815%0.14928%0.281CS..THydrogen-bonded Turntrans-85.7-11.517866.7-91.3000114.4L56 E58 V61 V62 Y78L56-F83 HydrophobicContact CD2-CZ 4.19Å; E58-F83 HydrophobicContact CB-CB 4.03Å; E58-F83 HydrophobicContact CB-CD1 4.33Å; E58-F83 HydrophobicContact CB-CD2 3.82Å; E58-F83 HydrophobicContact CB-CE2 4.33Å; E58-F83 HydrophobicContact CB-CG 3.82Å; E58-F83 VanDerWaalsContact CD-CD1 3.49Å; E58-F83 HydrophobicContact CG-CB 4.27Å; E58-F83 HydrophobicContact CG-CD1 3.83Å; E58-F83 HydrophobicContact CG-CD2 4.17Å; E58-F83 HydrophobicContact CG-CE1 4.16Å; E58-F83 HydrophobicContact CG-CE2 4.46Å; E58-F83 HydrophobicContact CG-CG 3.85Å; E58-F83 HydrophobicContact CG-CZ 4.46Å; E58-F83 WeakPolarHBondContact OE1-CD1 3.48Å; E58-F83 WeakPolarHBondContact OE2-CB 3.48Å; V61-F83 HydrophobicContact CB-CE2 4.39Å; V61-F83 HydrophobicContact CG1-CE2 3.98Å; V62-F83 HydrophobicContact CG2-CD2 3.89Å; V62-F83 HydrophobicContact CG2-CE2 4.43Å; Y78-F83 HydrophobicContact CD1-CE1 4.07Å; Y78-F83 HydrophobicContact CD1-CZ 4.09Å; Y78-F83 AromaticContact CE1-CE1 3.88Å; Y78-F83 HydrophobicContact CE1-CE1 3.88Å; Y78-F83 HydrophobicContact CE1-CZ 4.04Å
84F98Very high97.5Very high15 Ų1560.9 Ų60.97%0.06631%0.305CS..SBendtrans-74.1138.2179-63.9-54.1000111.8L7 V34 V61 V76 Y78 C81 E86 W88 F89L7-F84 HydrophobicContact CD1-CE2 4.3Å; L7-F84 HydrophobicContact CD2-CD2 4.44Å; V34-F84 HydrophobicContact CG2-CE1 4.48Å; V34-F84 HydrophobicContact CG2-CZ 4.02Å; V61-F84 HydrophobicContact CG1-CE1 4.34Å; V76-F84 HydrophobicContact CG1-CZ 4.37Å; Y78-F84 HydrophobicContact CD1-CE2 4.48Å; Y78-F84 HydrophobicContact CD1-CZ 4.34Å; C81-F84 HydrophobicContact CB-CD2 4.17Å; F84-E86 PolarHBondContact O-N 3.41Å; F84-W88 HydrophobicContact CB-CE3 4.23Å; F84-W88 AromaticContact CD1-CE3 3.94Å; F84-W88 HydrophobicContact CD1-CE3 3.94Å; F84-W88 HydrophobicContact CD1-CH2 4.47Å; F84-W88 AromaticContact CD1-CZ3 3.5Å; F84-W88 HydrophobicContact CD1-CZ3 3.5Å; F84-W88 HydrophobicContact CE1-CZ3 4.11Å; F84-W88 HydrophobicContact CG-CE3 4.37Å; F84-W88 HydrophobicContact CG-CZ3 4.36Å; F84-F89 HydrophobicContact CB-CE2 3.7Å; F84-F89 HydrophobicContact CB-CZ 4.45Å; F84-F89 AromaticContact CD2-CE2 3.98Å; F84-F89 HydrophobicContact CD2-CE2 3.98Å; F84-F89 HydrophobicContact CD2-CZ 4.25Å; F84-F89 AromaticContact CG-CE2 3.93Å; F84-F89 HydrophobicContact CG-CE2 3.93Å; F84-F89 HydrophobicContact CG-CZ 4.26Å
85P98.1Very high97.5Very high26 Ų2662.2 Ų62.217%0.16931%0.311CS..  trans-58.6125.2171.9-24.833.6000112.2V62 R87 W88V62-P85 HydrophobicContact CG1-CG 3.96Å; P85-R87 HydrophobicContact CB-CG 3.93Å; P85-R87 PolarHBondContact O-N 2.91Å; P85-W88 HydrophobicContact CB-CD2 4.34Å; P85-W88 HydrophobicContact CB-CG 4.17Å; P85-W88 HydrophobicContact CG-CD2 4.12Å; P85-W88 HydrophobicContact CG-CG 4.45Å; P85-W88 HydrophobicContact CG-CZ2 4.05Å; P85-W88 VanDerWaalsContact O-CB 3.27Å; P85-W88 WeakPolarHBondContact O-CB 3.27Å; P85-W88 PolarHBondContact O-N 2.95Å
86E97.2Very high97.4Very high187 Ų18772.1 Ų72.187%0.87435%0.349SS*.G310 helixtrans-53.5-35.7-178-171.7-179.3-179.900112.9F84 W88 F89F84-E86 PolarHBondContact O-N 3.41Å; E86-W88 PolarHBondContact O-N 2.8Å; E86-W88 VanDerWaalsContact O-N 3.08Å; E86-F89 PolarHBondContact O-N 3.32Å
87R97.3Very high97.4Very high161 Ų16173.7 Ų73.761%0.60836%0.358SS*.G310 helixtrans-59.6-17.4177.261.8177.2158.986.63.9114.9D66 P85D66-R87 IonicContact OD1-CZ 3.54Å; D66-R87 IonicContact OD1-NH1 2.77Å; D66-R87 PolarHBondContact OD1-NH1 3.23Å; D66-R87 IonicContact OD1-NH2 3.36Å; D66-R87 PolarHBondContact OD1-NH2 2.79Å; P85-R87 HydrophobicContact CB-CG 3.93Å; P85-R87 PolarHBondContact O-N 2.91Å
88W98.2Very high97.4Very high5 Ų579.6 Ų79.62%0.01939%0.39CS..G310 helixtrans-71.6-32.8-175.3-81.74.1000113.3N5 V62 L65 D66 M69 F84 P85 E86N5-W88 WeakPolarHBondContact CB-O 3.3Å; N5-W88 PolarHBondContact ND2-O 3.48Å; V62-W88 HydrophobicContact CB-CH2 4.31Å; V62-W88 HydrophobicContact CG1-CH2 4.09Å; V62-W88 HydrophobicContact CG1-CZ2 3.94Å; V62-W88 HydrophobicContact CG2-CH2 4.36Å; L65-W88 HydrophobicContact CB-CH2 3.49Å; L65-W88 VanDerWaalsContact CB-CH2 3.49Å; L65-W88 HydrophobicContact CB-CZ2 4.23Å; L65-W88 HydrophobicContact CB-CZ3 3.96Å; L65-W88 HydrophobicContact CD1-CH2 4.36Å; L65-W88 HydrophobicContact CD1-CZ3 4.13Å; D66-W88 HydrophobicContact CB-CZ2 4.11Å; D66-W88 PolarHBondContact OD1-NE1 2.88Å; M69-W88 HydrophobicContact CB-CD2 3.87Å; M69-W88 HydrophobicContact CB-CE3 4.48Å; M69-W88 HydrophobicContact CB-CG 3.92Å; M69-W88 HydrophobicContact CB-CZ2 4.41Å; M69-W88 HydrophobicContact CE-CB 3.71Å; M69-W88 HydrophobicContact CE-CD2 4.11Å; M69-W88 HydrophobicContact CE-CE3 3.97Å; M69-W88 HydrophobicContact CE-CG 4.05Å; M69-W88 HydrophobicContact CG-CD2 3.69Å; M69-W88 HydrophobicContact CG-CE3 3.8Å; M69-W88 HydrophobicContact CG-CG 4.16Å; M69-W88 HydrophobicContact CG-CH2 4.22Å; M69-W88 HydrophobicContact CG-CZ2 4.15Å; M69-W88 HydrophobicContact CG-CZ3 4.05Å; F84-W88 HydrophobicContact CB-CE3 4.23Å; F84-W88 AromaticContact CD1-CE3 3.94Å; F84-W88 HydrophobicContact CD1-CE3 3.94Å; F84-W88 HydrophobicContact CD1-CH2 4.47Å; F84-W88 AromaticContact CD1-CZ3 3.5Å; F84-W88 HydrophobicContact CD1-CZ3 3.5Å; F84-W88 HydrophobicContact CE1-CZ3 4.11Å; F84-W88 HydrophobicContact CG-CE3 4.37Å; F84-W88 HydrophobicContact CG-CZ3 4.36Å; P85-W88 HydrophobicContact CB-CD2 4.34Å; P85-W88 HydrophobicContact CB-CG 4.17Å; P85-W88 HydrophobicContact CG-CD2 4.12Å; P85-W88 HydrophobicContact CG-CG 4.45Å; P85-W88 HydrophobicContact CG-CZ2 4.05Å; P85-W88 VanDerWaalsContact O-CB 3.27Å; P85-W88 WeakPolarHBondContact O-CB 3.27Å; P85-W88 PolarHBondContact O-N 2.95Å; E86-W88 PolarHBondContact O-N 2.8Å; E86-W88 VanDerWaalsContact O-N 3.08Å
89F98.4Very high97.4Very high31 Ų3183.7 Ų83.714%0.13642%0.418CS..  trans-111.9131.8-167.1-58.1-65.3000112N5 L7 M69 V76 F84 E86 V92N5-F89 HydrophobicContact CB-CD1 4.4Å; L7-F89 HydrophobicContact CB-CD1 3.67Å; L7-F89 HydrophobicContact CB-CD2 4.13Å; L7-F89 HydrophobicContact CB-CE1 3.74Å; L7-F89 HydrophobicContact CB-CE2 4.17Å; L7-F89 HydrophobicContact CB-CG 3.87Å; L7-F89 HydrophobicContact CB-CZ 3.99Å; L7-F89 HydrophobicContact CD1-CE1 4.37Å; L7-F89 HydrophobicContact CD1-CE2 4.5Å; L7-F89 HydrophobicContact CD1-CZ 4.04Å; L7-F89 HydrophobicContact CD2-CD2 4.23Å; L7-F89 HydrophobicContact CD2-CE2 3.98Å; L7-F89 HydrophobicContact CD2-CZ 4.33Å; L7-F89 HydrophobicContact CG-CE2 4.45Å; L7-F89 HydrophobicContact CG-CZ 4.34Å; M69-F89 HydrophobicContact CE-CD1 3.98Å; M69-F89 HydrophobicContact CE-CE1 3.46Å; M69-F89 VanDerWaalsContact CE-CE1 3.46Å; M69-F89 HydrophobicContact CE-CZ 4.02Å; V76-F89 HydrophobicContact CB-CE1 3.89Å; V76-F89 HydrophobicContact CB-CZ 4.15Å; V76-F89 HydrophobicContact CG1-CZ 4.43Å; V76-F89 HydrophobicContact CG2-CE1 3.77Å; V76-F89 HydrophobicContact CG2-CZ 4.17Å; F84-F89 HydrophobicContact CB-CE2 3.7Å; F84-F89 HydrophobicContact CB-CZ 4.45Å; F84-F89 AromaticContact CD2-CE2 3.98Å; F84-F89 HydrophobicContact CD2-CE2 3.98Å; F84-F89 HydrophobicContact CD2-CZ 4.25Å; F84-F89 AromaticContact CG-CE2 3.93Å; F84-F89 HydrophobicContact CG-CE2 3.93Å; F84-F89 HydrophobicContact CG-CZ 4.26Å; E86-F89 PolarHBondContact O-N 3.32Å; F89-V92 HydrophobicContact CB-CG2 4.19Å
90H98.5Very high97.5Very high113 Ų11385.1 Ų85.152%0.52343%0.429SS..SBendtrans-84.1-25.7174.8-58.266.3000110.6P4 N5P4-H90 HydrophobicContact CB-CB 4.27Å; N5-H90 PolarHBondContact N-CE1 3.1Å; N5-H90 PolarHBondContact N-ND1 3.47Å; N5-H90 PolarHBondContact O-N 3.26Å; N5-H90 PolarHBondContact O-ND1 3.48Å
91I98.4Very high97.7Very high81 Ų8186.9 Ų86.942%0.41544%0.436SS..EExtended strand (participates in β ladder)trans-156.9149.6176.3-167.5159.8000110.3I6 L7 F93I6-I91 HydrophobicContact CB-CG2 4.48Å; I6-I91 HydrophobicContact CG1-CG2 4Å; I6-I91 HydrophobicContact CG2-CG2 4.18Å; L7-I91 PolarHBondContact N-O 2.98Å; I91-F93 HydrophobicContact CB-CE2 4.43Å; I91-F93 HydrophobicContact CD1-CE1 4.06Å; I91-F93 HydrophobicContact CD1-CE2 3.99Å; I91-F93 HydrophobicContact CD1-CZ 3.5Å; I91-F93 VanDerWaalsContact CD1-CZ 3.5Å; I91-F93 HydrophobicContact CG1-CE1 4.46Å; I91-F93 HydrophobicContact CG1-CE2 3.96Å; I91-F93 HydrophobicContact CG1-CZ 3.93Å; I91-F93 HydrophobicContact CG2-CD2 4.33Å; I91-F93 HydrophobicContact CG2-CE2 3.63Å; I91-F93 HydrophobicContact CG2-CZ 4.26Å
92V98.6Very high97.9Very high72 Ų7285.1 Ų85.144%0.43642%0.423SS..EExtended strand (participates in β ladder)trans-123.3131.2177.1-178.60000109.1L7 T9 F89L7-V92 HydrophobicContact CB-CB 4.41Å; L7-V92 HydrophobicContact CB-CG1 4.12Å; L7-V92 HydrophobicContact CB-CG2 4.09Å; L7-V92 HydrophobicContact CD2-CG1 3.87Å; L7-V92 HydrophobicContact CD2-CG2 4.23Å; L7-V92 HydrophobicContact CG-CG1 4.11Å; T9-V92 HydrophobicContact CG2-CG1 4.14Å; F89-V92 HydrophobicContact CB-CG2 4.19Å
93F98.7Very high98.1Very high97 Ų9785.2 Ų85.243%0.42541%0.413SS..EExtended strand (participates in β ladder)trans-115.3120.9174-65-79.1000110.7I6 L7 L8 T9 I91 L95I6-F93 HydrophobicContact CG2-CD2 3.8Å; I6-F93 HydrophobicContact CG2-CE2 4.04Å; L7-F93 PolarHBondContact O-N 3.37Å; L8-F93 HydrophobicContact CD2-CB 4Å; L8-F93 HydrophobicContact CD2-CD2 4.23Å; T9-F93 PolarHBondContact N-O 3.23Å; I91-F93 HydrophobicContact CB-CE2 4.43Å; I91-F93 HydrophobicContact CD1-CE1 4.06Å; I91-F93 HydrophobicContact CD1-CE2 3.99Å; I91-F93 HydrophobicContact CD1-CZ 3.5Å; I91-F93 VanDerWaalsContact CD1-CZ 3.5Å; I91-F93 HydrophobicContact CG1-CE1 4.46Å; I91-F93 HydrophobicContact CG1-CE2 3.96Å; I91-F93 HydrophobicContact CG1-CZ 3.93Å; I91-F93 HydrophobicContact CG2-CD2 4.33Å; I91-F93 HydrophobicContact CG2-CE2 3.63Å; I91-F93 HydrophobicContact CG2-CZ 4.26Å; F93-L95 HydrophobicContact CB-CD1 4.36Å
94V98.6Very high98.1Very high91 Ų9189.4 Ų89.455%0.55243%0.433SS*.EExtended strand (participates in β ladder)trans-96.3106.9174.6-171.70000109T9T9-V94 HydrophobicContact CG2-CB 4.33Å; T9-V94 HydrophobicContact CG2-CG1 4.41Å; T9-V94 HydrophobicContact CG2-CG2 3.78Å
95L98.5Very high98.1Very high32 Ų3294 Ų9417%0.16845%0.45CS..  trans-75.3139.3178.2-86.965.4000110.5L8 T9 V14 K16 L19 F93L8-L95 HydrophobicContact CD2-CD1 4.43Å; T9-L95 PolarHBondContact O-N 3.17Å; V14-L95 HydrophobicContact CB-CB 4.06Å; V14-L95 HydrophobicContact CG2-CB 3.54Å; V14-L95 HydrophobicContact CG2-CD2 4.43Å; K16-L95 HydrophobicContact CG-CD2 4.44Å; L19-L95 HydrophobicContact CD2-CD1 4.06Å; L19-L95 HydrophobicContact CD2-CD2 3.95Å; L19-L95 HydrophobicContact CD2-CG 4.43Å; F93-L95 HydrophobicContact CB-CD1 4.36Å
96R98.4Very high98.1Very high210 Ų21096.1 Ų96.179%0.79246%0.46SS*.  trans-124.5150.8178.2-56.7-60.9-60.9-77.9-2.3109.7
97T98.3Very high98.1Very high33 Ų3393.3 Ų93.320%0.20245%0.447CS..  trans-145.6141.3174.7-610000107.2V101 L102T97-V101 HydrophobicContact CG2-CB 3.9Å; T97-V101 HydrophobicContact CG2-CG1 3.8Å; T97-L102 HydrophobicContact CG2-CB 4.16Å
98D98.4Very high98Very high128 Ų12891.5 Ų91.568%0.68445%0.454SS*.  trans-60143177.9-66.1-30.8000111N100 V101 L102D98-N100 VanDerWaalsContact C-N 3.31Å; D98-N100 PolarHBondContact O-N 2.91Å; D98-V101 PolarHBondContact O-N 3.03Å; D98-V101 VanDerWaalsContact O-N 3.1Å; D98-L102 PolarHBondContact O-N 2.8Å
99T97.6Very high97.5Very high117 Ų117102.3 Ų102.372%0.71850%0.495SS*.Hα-helixtrans-55.5-42.8-172.4-52.80000112.9V101 L102 Y103T99-V101 PolarHBondContact O-N 2.99Å; T99-L102 PolarHBondContact O-N 2.78Å; T99-Y103 WeakPolarHBondContact O-CB 3.49Å; T99-Y103 PolarHBondContact O-N 2.92Å
100N97.8Very high97.5Very high131 Ų131105.9 Ų105.970%0.70151%0.512SS*.Hα-helixtrans-62.3-44.9179.9-67.2-5.7000111.6D98 Y103 E104D98-N100 VanDerWaalsContact C-N 3.31Å; D98-N100 PolarHBondContact O-N 2.91Å; N100-Y103 PolarHBondContact O-N 3.32Å; N100-E104 PolarHBondContact O-N 3.05Å
101V98.1Very high97.4Very high58 Ų58105.5 Ų105.535%0.35251%0.512SS..Hα-helixtrans-68.8-38.8178.7178.70000111T97 D98 T99 R105T97-V101 HydrophobicContact CG2-CB 3.9Å; T97-V101 HydrophobicContact CG2-CG1 3.8Å; D98-V101 PolarHBondContact O-N 3.03Å; D98-V101 VanDerWaalsContact O-N 3.1Å; T99-V101 PolarHBondContact O-N 2.99Å; V101-R105 VanDerWaalsContact O-CG 3.31Å; V101-R105 WeakPolarHBondContact O-CG 3.45Å; V101-R105 PolarHBondContact O-N 3.47Å
102L98.2Very high97.4Very high25 Ų25106.9 Ų106.913%0.13152%0.517CS..Hα-helixtrans-66.6-40178.7-172.961.1000111.5T11 V14 T97 D98 T99 R105 L106T11-L102 HydrophobicContact CG2-CD2 4.19Å; V14-L102 HydrophobicContact CG1-CD1 4.16Å; V14-L102 HydrophobicContact CG1-CD2 4.47Å; T97-L102 HydrophobicContact CG2-CB 4.16Å; D98-L102 PolarHBondContact O-N 2.8Å; T99-L102 PolarHBondContact O-N 2.78Å; L102-R105 PolarHBondContact O-N 2.81Å; L102-L106 HydrophobicContact CD1-CD1 4.35Å; L102-L106 HydrophobicContact CD1-CG 4.4Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 3.44Å; L102-L106 VanDerWaalsContact O-N 3.1Å
103Y98Very high97.3Very high142 Ų142108.9 Ų108.956%0.55752%0.522SS*.Hα-helixtrans-57.2-54175.6178.9-86.5000111.2T99 N100 R105 L106 E107T99-Y103 WeakPolarHBondContact O-CB 3.49Å; T99-Y103 PolarHBondContact O-N 2.92Å; N100-Y103 PolarHBondContact O-N 3.32Å; Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.93Å; Y103-L106 PolarHBondContact O-N 3.25Å; Y103-E107 HydrophobicContact CE1-CB 4.33Å; Y103-E107 WeakPolarHBondContact CE1-OE1 3.32Å; Y103-E107 PolarHBondContact O-N 3.16Å; Y103-E107 PolarHBondContact OH-OE1 3.39Å
104E97.9Very high97.2Very high122 Ų122109.7 Ų109.757%0.5753%0.528SS*.Hα-helixtrans-56.5-40.8179.8-69.8175.6-176.900112.3N100 L106 T108N100-E104 PolarHBondContact O-N 3.05Å; E104-L106 VanDerWaalsContact C-N 3.35Å; E104-L106 PolarHBondContact O-N 3.49Å; E104-T108 PolarHBondContact O-N 2.97Å; E104-T108 PolarHBondContact O-OG1 3.19Å
105R97.6Very high97.1Very high112 Ų112110.9 Ų110.942%0.42353%0.526SS..Hα-helixtrans-65.5-35.7177.9-72.6175.4-178-174.24.4113.4G13 V101 L102 Y103G13-R105 WeakPolarHBondContact O-CD 3.45Å; G13-R105 PolarHBondContact O-NH1 3.36Å; G13-R105 VanDerWaalsContact O-NH1 3.08Å; V101-R105 VanDerWaalsContact O-CG 3.31Å; V101-R105 WeakPolarHBondContact O-CG 3.45Å; V101-R105 PolarHBondContact O-N 3.47Å; L102-R105 PolarHBondContact O-N 2.81Å; Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.93Å
106L97.1Very high97Very high71 Ų71116.6 Ų116.637%0.37255%0.552SS.*Hα-helixtrans-82.1-33.5-178.1-69177.9000111.8L102 Y103 E104 T108 R109L102-L106 HydrophobicContact CD1-CD1 4.35Å; L102-L106 HydrophobicContact CD1-CG 4.4Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 3.44Å; L102-L106 VanDerWaalsContact O-N 3.1Å; Y103-L106 PolarHBondContact O-N 3.25Å; E104-L106 VanDerWaalsContact C-N 3.35Å; E104-L106 PolarHBondContact O-N 3.49Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 2.56Å; L106-R109 PolarHBondContact O-N 2.83Å
107E96.8Very high96.9Very high128 Ų128109.4 Ų109.460%0.59853%0.534SS*.Hα-helixtrans-66.4-29.6175.8-173176.1-119.400112.7Y103 R109Y103-E107 HydrophobicContact CE1-CB 4.33Å; Y103-E107 WeakPolarHBondContact CE1-OE1 3.32Å; Y103-E107 PolarHBondContact O-N 3.16Å; Y103-E107 PolarHBondContact OH-OE1 3.39Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.35Å
108T95.6Very high96.8Very high123 Ų123115.8 Ų115.876%0.75556%0.561SS**THydrogen-bonded Turntrans-87.25.2-179.4-40.70000113.6E104 L106E104-T108 PolarHBondContact O-N 2.97Å; E104-T108 PolarHBondContact O-OG1 3.19Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 2.56Å
109R88.8Confident96.7Very high232 Ų232114.6 Ų114.688%0.87555%0.55SS**  trans-90.70178.4-82.5-175.3169.3-155.7-7.1111.8L106 E107L106-R109 PolarHBondContact O-N 2.83Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.35Å

Retrieved 109 of 109 residues in 154.8 ms (Link to these results)

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