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Ras-related protein Rab-13

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB13 is involved in endocytic recycling and regulates the transport to the plasma membrane of transmembrane proteins like the tight junction protein OCLN/occludin. Thereby, it regulates the assembly and the activity of tight junctions. Moreover, it may also regulate tight junction assembly by activating the PKA signaling pathway and by reorganizing the actin cytoskeleton through the activation of the downstream effectors PRKACA and MICALL2 respectively. Through its role in tight junction assembly, may play a role in the establishment of Sertoli cell barrier. Plays also a role in angiogenesis through regulation of endothelial cells chemotaxis. Also involved in neurite outgrowth. Has also been proposed to play a role in post-Golgi membrane trafficking from the TGN to the recycling endosome. Finally, it has been involved in insulin-induced transport to the plasma membrane of the glucose transporter GLUT4 and therefore may play a role in glucose homeostasis.

AlphaFold DB , UniProt , Accession P51153, Species HUMAN (Homo sapiens, Human), Gene RAB13, Length 203 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
1M46.4Very low84.4Confident243 Ų24384.3 Ų84.3100%1.19746%0.456SS*.  0124.20-72.3177.2-169.900108.2
2A59.1Low85.3Confident101 Ų10177.3 Ų77.384%0.83542%0.418SS*.  trans-59.8140.3174.900000109.9A4A2-A4 PolarHBondContact O-N 3.23Å
3K70.1Confident86.1Confident185 Ų18571.3 Ų71.380%0.80439%0.386SS*.  trans-62.3126.5174.3-75.7-175.7177179.40108.4Y5K3-Y5 PolarHBondContact O-N 3.38Å; K3-Y5 VanDerWaalsContact O-N 3.17Å
4A86.9Confident86.6Confident83 Ų8366.2 Ų66.269%0.68636%0.358SS*.SBendtrans-71.6-2.5-179.900000114.1A2A2-A4 PolarHBondContact O-N 3.23Å
5Y91.8Very high87.1Confident73 Ų7361.8 Ų61.829%0.28633%0.334SS..  trans-151.8151.3-177.561-92.7000110.6K3 H7 L8 K56 K58K3-Y5 PolarHBondContact O-N 3.38Å; K3-Y5 VanDerWaalsContact O-N 3.17Å; Y5-H7 WeakPolarHBondContact CD2-O 3.32Å; Y5-L8 HydrophobicContact CD2-CB 4.39Å; Y5-L8 HydrophobicContact CE2-CB 3.72Å; Y5-K56 CarbonylContact C-O 3.6Å; Y5-K56 WeakPolarHBondContact CB-O 3.5Å; Y5-K58 HydrophobicContact CD1-CB 4.11Å; Y5-K58 HydrophobicContact CD1-CD 3.78Å; Y5-K58 HydrophobicContact CD2-CB 4.15Å; Y5-K58 HydrophobicContact CE1-CD 3.79Å; Y5-K58 HydrophobicContact CG-CB 3.85Å; Y5-K58 HydrophobicContact CG-CD 4.38Å
6D93.6Very high87.4Confident80 Ų8059.8 Ų59.843%0.42832%0.323SS..SBendtrans-81.4-39.6176.5-62.6-80.5000111.7K55 K56D6-K55 HydrophobicContact CB-CB 4.25Å; D6-K55 HydrophobicContact CB-CD 4.02Å; D6-K55 WeakPolarHBondContact OD2-CA 3.32Å; D6-K56 PolarHBondContact N-O 3.3Å; D6-K56 PolarHBondContact OD2-N 3.22Å
7H95.5Very high87.6Confident57 Ų5758.5 Ų58.526%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-135.3147-174.9-63.2-76.2000112.1Y5 F9 K56 I57 K58Y5-H7 WeakPolarHBondContact CD2-O 3.32Å; H7-F9 HydrophobicContact CB-CD1 4.25Å; H7-F9 HydrophobicContact CB-CE1 3.63Å; H7-F9 HydrophobicContact CB-CZ 3.84Å; H7-K56 PolarHBondContact N-O 2.71Å; H7-I57 HydrophobicContact CB-CG1 4.41Å; H7-I57 HydrophobicContact CB-CG2 4.28Å; H7-K58 PolarHBondContact O-N 3.44Å
8L95.4Very high87.8Confident68 Ų6856.7 Ų56.736%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-118.4116171.7176.967.2000108.1Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.39Å; Y5-L8 HydrophobicContact CE2-CB 3.72Å; L8-K58 CarbonylContact C-O 3.59Å; L8-K58 WeakPolarHBondContact CA-O 3.47Å; L8-K58 HydrophobicContact CD1-CB 3.91Å; L8-K58 HydrophobicContact CD1-CD 4.04Å; L8-K58 HydrophobicContact CD1-CG 3.86Å; L8-K58 WeakPolarHBondContact CD1-O 3.36Å; L8-Q60 HydrophobicContact CD1-CG 3.87Å
9F96.9Very high88.2Confident3 Ų353.7 Ų53.71%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-112.9135.5177.8-59.2-22.3000111.3H7 I57 K58 L59 Q60 M82 A166 I169 L170H7-F9 HydrophobicContact CB-CD1 4.25Å; H7-F9 HydrophobicContact CB-CE1 3.63Å; H7-F9 HydrophobicContact CB-CZ 3.84Å; F9-I57 HydrophobicContact CB-CG2 4.49Å; F9-I57 HydrophobicContact CD2-CD1 4.46Å; F9-I57 HydrophobicContact CD2-CG2 3.34Å; F9-I57 HydrophobicContact CE2-CD1 3.71Å; F9-I57 HydrophobicContact CE2-CG2 3.55Å; F9-I57 HydrophobicContact CG-CG2 3.87Å; F9-I57 HydrophobicContact CZ-CD1 4.27Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; F9-K58 PolarHBondContact N-O 3.25Å; F9-L59 HydrophobicContact CB-CD2 3.86Å; F9-L59 HydrophobicContact CD2-CD2 4.05Å; F9-L59 HydrophobicContact CG-CD2 4.41Å; F9-Q60 PolarHBondContact O-N 3.36Å; F9-M82 HydrophobicContact CB-SD 4.17Å; F9-M82 HydrophobicContact CD1-CE 3.42Å; F9-M82 VanDerWaalsContact CD1-CE 3.42Å; F9-M82 HydrophobicContact CD1-SD 3.52Å; F9-M82 VanDerWaalsContact CD1-SD 3.52Å; F9-M82 HydrophobicContact CE1-CE 3.63Å; F9-M82 HydrophobicContact CE1-SD 4.33Å; F9-M82 HydrophobicContact CG-CE 4.35Å; F9-M82 HydrophobicContact CG-SD 4.19Å; F9-A166 HydrophobicContact CD2-CB 4.42Å; F9-A166 WeakPolarHBondContact CE2-O 3.49Å; F9-I169 HydrophobicContact CD1-CG2 3.82Å; F9-I169 HydrophobicContact CD2-CB 3.99Å; F9-I169 HydrophobicContact CD2-CD1 4.35Å; F9-I169 HydrophobicContact CD2-CG2 3.68Å; F9-I169 HydrophobicContact CE1-CG2 3.75Å; F9-I169 HydrophobicContact CE2-CB 3.85Å; F9-I169 HydrophobicContact CE2-CG2 3.61Å; F9-I169 HydrophobicContact CG-CG2 3.81Å; F9-I169 HydrophobicContact CZ-CB 4.31Å; F9-I169 HydrophobicContact CZ-CG2 3.67Å; F9-L170 HydrophobicContact CE2-CB 4.22Å; F9-L170 HydrophobicContact CZ-CB 4.21Å; F9-L170 HydrophobicContact CZ-CD1 4.22Å
10K95.9Very high88.5Confident34 Ų3451.7 Ų51.715%0.14829%0.292CS..EExtended strand (participates in β ladder)trans-96.4116.8172.2177173.8172.1-169.10109.2Y77 R79 M82 G83K10-Y77 WeakPolarHBondContact CE-O 3.31Å; K10-Y77 PolarHBondContact NZ-O 3.49Å; K10-R79 PolarHBondContact NZ-O 3.5Å; K10-M82 PolarHBondContact O-N 2.91Å; K10-G83 PolarHBondContact O-N 2.82Å
11L97.2Very high88.8Confident0 Ų049.7 Ų49.70%028%0.28CS..EExtended strand (participates in β ladder)trans-107.4141.4173.5-54-173.6000109.7L59 Q60 V61 W62 G83 F162 L165 I169L11-L59 HydrophobicContact CD1-CD1 4.22Å; L11-L59 HydrophobicContact CD1-CD2 4.26Å; L11-Q60 PolarHBondContact N-O 3.15Å; L11-V61 HydrophobicContact CB-CG2 4.49Å; L11-V61 HydrophobicContact CD1-CG2 4.36Å; L11-W62 WeakPolarHBondContact O-CB 3.35Å; L11-W62 PolarHBondContact O-N 3.02Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.21Å; L11-F162 HydrophobicContact CD1-CD1 4.04Å; L11-L165 HydrophobicContact CD1-CD2 4.45Å; L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.32Å; L11-I169 HydrophobicContact CD2-CD1 3.47Å; L11-I169 VanDerWaalsContact CD2-CD1 3.47Å
12L95.2Very high91.1Very high0 Ų040.1 Ų40.10%024%0.235CC..EExtended strand (participates in β ladder)trans-122.2127.9176.4-176.269.8000109.4I14 W62 T64 Y78 A81 G83 I84 I85L12-I14 HydrophobicContact CD2-CG2 3.84Å; L12-I14 HydrophobicContact CG-CG2 3.82Å; L12-W62 HydrophobicContact CD1-CB 3.71Å; L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.16Å; L12-Y78 HydrophobicContact CD2-CD1 3.94Å; L12-Y78 HydrophobicContact CD2-CE1 4.11Å; L12-Y78 HydrophobicContact CD2-CG 4.43Å; L12-A81 HydrophobicContact CB-CB 4.35Å; L12-G83 PolarHBondContact N-O 2.85Å; L12-I84 HydrophobicContact CB-CG1 4.26Å; L12-I84 CarbonylContact O-C 3.59Å; L12-I84 WeakPolarHBondContact O-CA 3.31Å; L12-I85 PolarHBondContact O-N 2.94Å
13L95.2Very high92.8Very high0 Ų037.1 Ų37.10%021%0.208CC..EExtended strand (participates in β ladder)trans-95.1130.8170.7-80.874000110K21 L24 I25 V61 W62 T64 I85 V87 F162L13-K21 HydrophobicContact CB-CB 4.33Å; L13-K21 HydrophobicContact CB-CD 4.3Å; L13-K21 HydrophobicContact CB-CG 4.45Å; L13-K21 HydrophobicContact CD2-CB 4.12Å; L13-L24 HydrophobicContact CD2-CB 4.44Å; L13-I25 HydrophobicContact CB-CD1 4.33Å; L13-I25 HydrophobicContact CD1-CD1 3.9Å; L13-I25 HydrophobicContact CD1-CG1 3.92Å; L13-I25 HydrophobicContact CD2-CD1 3.76Å; L13-I25 HydrophobicContact CD2-CG1 3.51Å; L13-I25 HydrophobicContact CG-CD1 4.19Å; L13-I25 HydrophobicContact CG-CG1 4.25Å; L13-V61 HydrophobicContact CD1-CG1 3.33Å; L13-W62 PolarHBondContact N-O 3.23Å; L13-T64 WeakPolarHBondContact O-CB 3.41Å; L13-T64 VanDerWaalsContact O-CG2 3.24Å; L13-T64 WeakPolarHBondContact O-CG2 3.32Å; L13-T64 PolarHBondContact O-OG1 3.03Å; L13-I85 WeakPolarHBondContact CA-O 3.43Å; L13-I85 HydrophobicContact CD1-CB 4.43Å; L13-I85 HydrophobicContact CD1-CD1 4.08Å; L13-I85 HydrophobicContact CG-CB 4.05Å; L13-I85 HydrophobicContact CG-CD1 4.42Å; L13-I85 HydrophobicContact CG-CG2 4.35Å; L13-V87 HydrophobicContact CD2-CG2 4.34Å; L13-F162 HydrophobicContact CD1-CE1 4Å; L13-F162 HydrophobicContact CD1-CZ 4.09Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å
14I93.5Very high94.1Very high0 Ų028.3 Ų28.30%017%0.169CC..EExtended strand (participates in β ladder)trans-132.2157.3178.474.7173.2000110.2L12 I73 I84 I85 L86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.84Å; L12-I14 HydrophobicContact CG-CG2 3.82Å; I14-I73 HydrophobicContact CB-CD1 3.72Å; I14-I73 HydrophobicContact CG2-CD1 3.23Å; I14-I84 HydrophobicContact CD1-CG2 3.85Å; I14-I84 HydrophobicContact CG1-CG2 3.96Å; I14-I84 HydrophobicContact CG2-CG2 4.17Å; I14-I85 PolarHBondContact N-O 3.1Å; I14-L86 HydrophobicContact CD1-CD2 4.15Å; I14-L86 HydrophobicContact CD1-CG 4.05Å; I14-L86 HydrophobicContact CG1-CB 4.43Å; I14-L86 HydrophobicContact CG1-CD2 4.44Å; I14-L86 HydrophobicContact CG1-CG 3.95Å; I14-L86 WeakPolarHBondContact O-CA 3.48Å; I14-V87 PolarHBondContact O-N 3Å; I14-W102 HydrophobicContact CB-CE3 4.24Å; I14-W102 HydrophobicContact CD1-CB 3.88Å; I14-W102 HydrophobicContact CD1-CD2 4.41Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.41Å; I14-W102 HydrophobicContact CG1-CB 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; I14-I106 HydrophobicContact CD1-CD1 3.66Å; I14-I106 HydrophobicContact CD1-CG1 3.68Å
15G93.7Very high94.5Very high0 Ų024.5 Ų24.50%014%0.138CC..  trans143.8170.4-174.800000111.4K21 V87G15-K21 PolarHBondContact O-NZ 2.79Å; G15-V87 WeakPolarHBondContact CA-O 3.23Å
16D92.2Very high94.6Very high29 Ų2923.3 Ų23.316%0.15514%0.136CC..  trans-63.9166.6-174.5-75.516.9000113.3V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.84Å; D16-V19 VanDerWaalsContact O-CG2 3.25Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; D16-K21 PolarHBondContact O-NZ 2.81Å; D16-N98 PolarHBondContact OD2-ND2 3.31Å; D16-W102 PolarHBondContact OD1-NE1 2.97Å
17S90.3Very high94.8Very high38 Ų3821.3 Ų21.327%0.26612%0.122SC..THydrogen-bonded Turntrans-58.5145.8170.5-149.10000110.6V19 Y37 G66S17-V19 PolarHBondContact O-N 3.32Å; S17-V19 VanDerWaalsContact O-N 3.07Å; S17-Y37 PolarHBondContact OG-OH 3.39Å; S17-Y37 VanDerWaalsContact OG-OH 3.08Å; S17-G66 WeakPolarHBondContact CA-O 3.39Å; S17-G66 WeakPolarHBondContact CB-O 3.22Å; S17-G66 PolarHBondContact N-O 3.21Å; S17-G66 VanDerWaalsContact N-O 3.13Å
18G91.2Very high94.8Very high26 Ų2618.8 Ų18.827%0.26811%0.11SC..THydrogen-bonded Turntrans74.2-8.6173.800000117G20 Y37 K122G18-G20 PolarHBondContact O-N 2.96Å; G18-Y37 PolarHBondContact N-OH 2.93Å; G18-K122 WeakPolarHBondContact O-CE 3.41Å; G18-K122 PolarHBondContact O-NZ 3.07Å
19V95.2Very high94.8Very high1 Ų116.9 Ų16.91%0.00610%0.104CC..SBendtrans-68-15.7-179.7-54.60000113.9D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.84Å; D16-V19 VanDerWaalsContact O-CG2 3.25Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; S17-V19 PolarHBondContact O-N 3.32Å; S17-V19 VanDerWaalsContact O-N 3.07Å; V19-K21 HydrophobicContact CG2-CD 4.47Å; V19-K21 HydrophobicContact CG2-CG 3.76Å; V19-V87 HydrophobicContact CB-CG1 4.28Å; V19-V87 HydrophobicContact CG2-CB 3.94Å; V19-V87 HydrophobicContact CG2-CG1 3.79Å; V19-D89 HydrophobicContact CB-CB 4.26Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; V19-N121 PolarHBondContact O-ND2 2.8Å
20G94.9Very high94.6Very high12 Ų1221.2 Ų21.212%0.12413%0.125CC..  trans99.525.2173.600000115.8G18 T22 C23 L24G18-G20 PolarHBondContact O-N 2.96Å; G20-T22 PolarHBondContact O-N 2.99Å; G20-C23 PolarHBondContact O-N 3.17Å; G20-L24 WeakPolarHBondContact O-CG 3.47Å; G20-L24 PolarHBondContact O-N 3.28Å
21K95Very high94.5Very high10 Ų1025.1 Ų25.14%0.04315%0.147CC..Hα-helixtrans-51-55175-60.4-174.6-62.3-75.70112.3L13 G15 D16 V19 C23 L24 I25 T64 V87L13-K21 HydrophobicContact CB-CB 4.33Å; L13-K21 HydrophobicContact CB-CD 4.3Å; L13-K21 HydrophobicContact CB-CG 4.45Å; L13-K21 HydrophobicContact CD2-CB 4.12Å; G15-K21 PolarHBondContact O-NZ 2.79Å; D16-K21 PolarHBondContact O-NZ 2.81Å; V19-K21 HydrophobicContact CG2-CD 4.47Å; V19-K21 HydrophobicContact CG2-CG 3.76Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.34Å; K21-L24 WeakPolarHBondContact O-CB 3.35Å; K21-L24 PolarHBondContact O-N 3.32Å; K21-L24 VanDerWaalsContact O-N 3.14Å; K21-I25 WeakPolarHBondContact O-CG1 3.42Å; K21-I25 PolarHBondContact O-N 2.95Å; K21-T64 WeakPolarHBondContact CE-O 3.43Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.19Å
22T93.8Very high94.3Very high42 Ų4229.4 Ų29.426%0.25817%0.17SC..Hα-helixtrans-58.4-43.5178.3-45.30000112.1G20 L24 I25 I26 T40 D63G20-T22 PolarHBondContact O-N 2.99Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 2.71Å; T22-I25 PolarHBondContact O-N 3.45Å; T22-I26 HydrophobicContact CG2-CD1 3.88Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 3.27Å; T22-T40 PolarHBondContact OG1-OG1 3.35Å; T22-D63 WeakPolarHBondContact CA-OD2 3.31Å; T22-D63 VanDerWaalsContact CB-OD2 3.27Å; T22-D63 WeakPolarHBondContact CB-OD2 3.3Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.38Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å
23C95.3Very high94.1Very high38 Ų3832 Ų3226%0.25718%0.182SC..Hα-helixtrans-62.7-40177.5-57.10000112.1G20 K21 R27 F33 A152G20-C23 PolarHBondContact O-N 3.17Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.34Å; C23-R27 WeakPolarHBondContact O-CB 3.25Å; C23-R27 PolarHBondContact O-N 3.26Å; C23-F33 HydrophobicContact CB-CD2 4.25Å; C23-F33 HydrophobicContact CB-CE2 4.07Å; C23-A152 HydrophobicContact CB-CB 3.64Å
24L97Very high93.6Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-63.6-42.7174.7-74.6168.3000111.6L13 G20 K21 T22 R27 F28 V87 L119 N121 A152 V158 F162L13-L24 HydrophobicContact CD2-CB 4.44Å; G20-L24 WeakPolarHBondContact O-CG 3.47Å; G20-L24 PolarHBondContact O-N 3.28Å; K21-L24 WeakPolarHBondContact O-CB 3.35Å; K21-L24 PolarHBondContact O-N 3.32Å; K21-L24 VanDerWaalsContact O-N 3.14Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 2.71Å; L24-R27 PolarHBondContact O-N 3.01Å; L24-F28 VanDerWaalsContact O-CB 3.25Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.41Å; L24-V87 HydrophobicContact CD1-CG1 3.76Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; L24-L119 HydrophobicContact CD1-CD1 4.13Å; L24-N121 HydrophobicContact CD1-CB 4.24Å; L24-A152 HydrophobicContact CD2-CB 4.02Å; L24-A152 HydrophobicContact CG-CB 4.23Å; L24-V158 HydrophobicContact CD2-CG1 4.39Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å; L24-F162 HydrophobicContact CB-CE2 4.49Å
25I95.6Very high93.1Very high4 Ų442.9 Ų42.92%0.02124%0.239CC..Hα-helixtrans-65.9-46179.1-63.6170.6000110.8L13 K21 T22 F28 A29 K46 V61 D63 F162L13-I25 HydrophobicContact CB-CD1 4.33Å; L13-I25 HydrophobicContact CD1-CD1 3.9Å; L13-I25 HydrophobicContact CD1-CG1 3.92Å; L13-I25 HydrophobicContact CD2-CD1 3.76Å; L13-I25 HydrophobicContact CD2-CG1 3.51Å; L13-I25 HydrophobicContact CG-CD1 4.19Å; L13-I25 HydrophobicContact CG-CG1 4.25Å; K21-I25 WeakPolarHBondContact O-CG1 3.42Å; K21-I25 PolarHBondContact O-N 2.95Å; T22-I25 PolarHBondContact O-N 3.45Å; I25-F28 PolarHBondContact O-N 2.91Å; I25-A29 VanDerWaalsContact O-CB 3.23Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.42Å; I25-K46 HydrophobicContact CG2-CB 3.74Å; I25-K46 HydrophobicContact CG2-CG 3.65Å; I25-V61 HydrophobicContact CB-CG1 4.46Å; I25-V61 HydrophobicContact CD1-CG1 3.95Å; I25-V61 HydrophobicContact CG1-CG1 3.68Å; I25-V61 HydrophobicContact CG2-CB 4.39Å; I25-V61 HydrophobicContact CG2-CG1 4.07Å; I25-D63 HydrophobicContact CD1-CB 3.36Å; I25-F162 HydrophobicContact CG1-CZ 4.48Å
26I94.5Very high92.5Very high47 Ų4747.2 Ų47.224%0.24127%0.266CS..Hα-helixtrans-63.4-46.1177.6-67.8169.5000110T22 F28 A29 E30 D31 N32T22-I26 HydrophobicContact CG2-CD1 3.88Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 3.27Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.16Å; I26-A29 PolarHBondContact O-N 3.36Å; I26-E30 WeakPolarHBondContact O-CA 3.48Å; I26-E30 WeakPolarHBondContact O-CB 3.49Å; I26-E30 PolarHBondContact O-N 3.43Å; I26-D31 PolarHBondContact O-N 2.91Å; I26-N32 HydrophobicContact CG2-CB 4Å
27R96.8Very high91.7Very high39 Ų3952.3 Ų52.315%0.14728%0.284CS..Hα-helixtrans-58.3-44.3175.917555.572.8-170.4-1.2111.1C23 L24 D31 N32 A152 K153 V158C23-R27 WeakPolarHBondContact O-CB 3.25Å; C23-R27 PolarHBondContact O-N 3.26Å; L24-R27 PolarHBondContact O-N 3.01Å; R27-D31 WeakPolarHBondContact CD-OD1 3.21Å; R27-D31 IonicContact CZ-OD1 2.69Å; R27-D31 PolarHBondContact NH1-O 3.43Å; R27-D31 IonicContact NH1-OD1 3.43Å; R27-D31 PolarHBondContact NH1-OD1 2.98Å; R27-D31 VanDerWaalsContact O-CA 3.26Å; R27-D31 WeakPolarHBondContact O-CA 3.48Å; R27-D31 PolarHBondContact O-N 3.13Å; R27-D31 VanDerWaalsContact O-N 3.12Å; R27-N32 VanDerWaalsContact CA-O 3.31Å; R27-N32 WeakPolarHBondContact CA-O 3.46Å; R27-N32 PolarHBondContact N-O 3.05Å; R27-A152 PolarHBondContact NE-O 3.15Å; R27-K153 PolarHBondContact NH2-O 2.81Å; R27-V158 HydrophobicContact CB-CG1 4.3Å; R27-V158 HydrophobicContact CG-CB 4.1Å; R27-V158 HydrophobicContact CG-CG1 3.92Å; R27-V158 HydrophobicContact CG-CG2 3.97Å
28F96.8Very high91.1Very high4 Ų456.5 Ų56.52%0.01830%0.302CS..Hα-helixtrans-67.3-44.8178177.4-107.1000112.6L24 I25 I26 R48 V50 L59 V61 V158 F162L24-F28 VanDerWaalsContact O-CB 3.25Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.41Å; I25-F28 PolarHBondContact O-N 2.91Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 3.16Å; F28-R48 HydrophobicContact CD1-CB 4.47Å; F28-R48 HydrophobicContact CE1-CB 3.89Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 HydrophobicContact CZ-CB 4.49Å; F28-R48 HydrophobicContact CZ-CG 4.4Å; F28-R48 WeakPolarHBondContact O-CD 3.39Å; F28-R48 PolarHBondContact O-NE 3.5Å; F28-R48 PolarHBondContact O-NH1 3.38Å; F28-V50 HydrophobicContact CZ-CG1 3.9Å; F28-L59 HydrophobicContact CE1-CD1 3.96Å; F28-L59 HydrophobicContact CZ-CD1 3.74Å; F28-V61 HydrophobicContact CD1-CG2 4.41Å; F28-V61 HydrophobicContact CE1-CG2 4.3Å; F28-V158 HydrophobicContact CB-CG1 3.89Å; F28-F162 HydrophobicContact CB-CD2 3.93Å; F28-F162 HydrophobicContact CB-CE2 3.85Å; F28-F162 HydrophobicContact CB-CG 4.39Å; F28-F162 HydrophobicContact CB-CZ 4.27Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 AromaticContact CD1-CD1 3.89Å; F28-F162 HydrophobicContact CD1-CD1 3.89Å; F28-F162 HydrophobicContact CD1-CD2 4.36Å; F28-F162 HydrophobicContact CD1-CE1 4.19Å; F28-F162 AromaticContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD2-CB 3.56Å; F28-F162 HydrophobicContact CD2-CD1 4.38Å; F28-F162 AromaticContact CD2-CD2 3.71Å; F28-F162 HydrophobicContact CD2-CD2 3.71Å; F28-F162 HydrophobicContact CD2-CE2 4.48Å; F28-F162 AromaticContact CD2-CG 3.64Å; F28-F162 HydrophobicContact CD2-CG 3.64Å; F28-F162 HydrophobicContact CE1-CB 4.18Å; F28-F162 HydrophobicContact CE1-CD1 4.01Å; F28-F162 HydrophobicContact CE1-CG 4.15Å; F28-F162 HydrophobicContact CE2-CB 3.29Å; F28-F162 HydrophobicContact CE2-CD2 4.36Å; F28-F162 AromaticContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CG-CB 4.13Å; F28-F162 HydrophobicContact CG-CD1 4.09Å; F28-F162 AromaticContact CG-CD2 3.72Å; F28-F162 HydrophobicContact CG-CD2 3.72Å; F28-F162 HydrophobicContact CG-CE1 4.42Å; F28-F162 HydrophobicContact CG-CE2 4.08Å; F28-F162 AromaticContact CG-CG 3.72Å; F28-F162 HydrophobicContact CG-CG 3.72Å; F28-F162 HydrophobicContact CG-CZ 4.41Å; F28-F162 HydrophobicContact CZ-CB 3.64Å; F28-F162 HydrophobicContact CZ-CD1 4.33Å; F28-F162 HydrophobicContact CZ-CG 4.1Å
29A94.3Very high90.6Very high27 Ų2757.6 Ų57.622%0.22331%0.306CS..Hα-helixtrans-82.2-32.3-171.400000113.5I25 I26 K46I25-A29 VanDerWaalsContact O-CB 3.23Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.42Å; I26-A29 PolarHBondContact O-N 3.36Å; A29-K46 HydrophobicContact CB-CB 3.8Å; A29-K46 HydrophobicContact CB-CG 4.23Å
30E93.2Very high89.5Confident95 Ų9559 Ų5944%0.44431%0.314SS..Hα-helixtrans-129.9-1.5-165.1-60.1173.4-170.900113.3I26 N32 K46I26-E30 WeakPolarHBondContact O-CA 3.48Å; I26-E30 WeakPolarHBondContact O-CB 3.49Å; I26-E30 PolarHBondContact O-N 3.43Å; E30-N32 HydrophobicContact CB-CB 4.3Å; E30-N32 PolarHBondContact O-N 2.99Å; E30-K46 VanDerWaalsContact OE1-CE 3.25Å; E30-K46 WeakPolarHBondContact OE1-CE 3.31Å; E30-K46 IonicContact OE1-NZ 3.33Å; E30-K46 PolarHBondContact OE1-NZ 3.13Å
31D93.3Very high88.5Confident115 Ų11566.3 Ų66.362%0.61535%0.349SS*.SBendtrans48.540.1-172.4-162.329000113.7I26 R27I26-D31 PolarHBondContact O-N 2.91Å; R27-D31 WeakPolarHBondContact CD-OD1 3.21Å; R27-D31 IonicContact CZ-OD1 2.69Å; R27-D31 PolarHBondContact NH1-O 3.43Å; R27-D31 IonicContact NH1-OD1 3.43Å; R27-D31 PolarHBondContact NH1-OD1 2.98Å; R27-D31 VanDerWaalsContact O-CA 3.26Å; R27-D31 WeakPolarHBondContact O-CA 3.48Å; R27-D31 PolarHBondContact O-N 3.13Å; R27-D31 VanDerWaalsContact O-N 3.12Å
32N93Very high87.6Confident90 Ų9067.9 Ų67.948%0.48137%0.368SS..  trans-123.3158.6-178.1-164.75.3000111.5I26 R27 E30I26-N32 HydrophobicContact CG2-CB 4Å; R27-N32 VanDerWaalsContact CA-O 3.31Å; R27-N32 WeakPolarHBondContact CA-O 3.46Å; R27-N32 PolarHBondContact N-O 3.05Å; E30-N32 HydrophobicContact CB-CB 4.3Å; E30-N32 PolarHBondContact O-N 2.99Å
33F90.6Very high86.9Confident56 Ų5668.2 Ų68.225%0.24637%0.368CS..  trans-148.9131.7174.8178.3-100.9000111.1C23 N35 A152 K153C23-F33 HydrophobicContact CB-CD2 4.25Å; C23-F33 HydrophobicContact CB-CE2 4.07Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.39Å; F33-A152 HydrophobicContact CD2-CB 4.08Å; F33-A152 WeakPolarHBondContact CD2-O 2.91Å; F33-A152 HydrophobicContact CE2-CB 4.06Å; F33-K153 HydrophobicContact CD1-CB 4.26Å; F33-K153 HydrophobicContact CD1-CG 4.09Å; F33-K153 HydrophobicContact CD2-CB 4.48Å; F33-K153 HydrophobicContact CE1-CB 3.77Å; F33-K153 HydrophobicContact CE1-CD 4.35Å; F33-K153 HydrophobicContact CE1-CG 3.61Å; F33-K153 HydrophobicContact CE2-CB 4.05Å; F33-K153 HydrophobicContact CZ-CB 3.67Å; F33-K153 HydrophobicContact CZ-CG 4.01Å
34N84.8Confident86.4Confident97 Ų9770.5 Ų70.552%0.51938%0.377SS..  trans-116131.3175.3-167.6-17.3000109.7T36N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.28Å; N34-T36 PolarHBondContact OD1-N 3.1Å; N34-T36 PolarHBondContact OD1-OG1 2.72Å
35N83.2Confident86Confident130 Ų13075 Ų7570%0.69540%0.397SS*.  trans-72.4-21.4176-82.1-36000112.8F33 Y37F33-N35 WeakPolarHBondContact CE1-OD1 3.39Å; N35-Y37 PolarHBondContact O-N 3.2Å
36T81.7Confident85.9Confident92 Ų9278 Ų7856%0.56441%0.41SS*.SBendtrans-73.7115.3-178.3-56.20000110.1N34 I38N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.28Å; N34-T36 PolarHBondContact OD1-N 3.1Å; N34-T36 PolarHBondContact OD1-OG1 2.72Å; T36-I38 HydrophobicContact CG2-CG1 4.13Å; T36-I38 PolarHBondContact O-N 2.81Å
37Y75.7Confident85.9Confident135 Ų13579.2 Ų79.253%0.52942%0.416SS..  trans-74.4114.1173.7-179.1-106.5000110.3S17 G18 N35 S39S17-Y37 PolarHBondContact OG-OH 3.39Å; S17-Y37 VanDerWaalsContact OG-OH 3.08Å; G18-Y37 PolarHBondContact N-OH 2.93Å; N35-Y37 PolarHBondContact O-N 3.2Å; Y37-S39 VanDerWaalsContact CE1-OG 3.27Å; Y37-S39 WeakPolarHBondContact CE1-OG 2.92Å; Y37-S39 PolarHBondContact OH-OG 2.88Å
38I77.8Confident85.8Confident127 Ų12781.1 Ų81.165%0.65142%0.423SS*.  trans-116.7116.3170.1-56.8176.7000106.5T36 T40T36-I38 HydrophobicContact CG2-CG1 4.13Å; T36-I38 PolarHBondContact O-N 2.81Å; I38-T40 PolarHBondContact O-N 3.35Å
39S79.1Confident85.8Confident49 Ų4984.4 Ų84.434%0.34344%0.444SS..PPolyproline II helixtrans-60.4123.8175.8-66.60000110Y37 I41Y37-S39 VanDerWaalsContact CE1-OG 3.27Å; Y37-S39 WeakPolarHBondContact CE1-OG 2.92Å; Y37-S39 PolarHBondContact OH-OG 2.88Å; S39-I41 PolarHBondContact O-N 2.83Å
40T74Confident85.8Confident30 Ų3083.8 Ų83.818%0.18444%0.437CS..PPolyproline II helixtrans-61.2125.1173.6-47.90000109.8T22 I38 D63 A65T22-T40 PolarHBondContact OG1-OG1 3.35Å; I38-T40 PolarHBondContact O-N 3.35Å; T40-D63 PolarHBondContact OG1-OD2 3.32Å; T40-A65 WeakPolarHBondContact O-CB 3.25Å
41I73.8Confident86Confident165 Ų16584.2 Ų84.285%0.84644%0.443SS*.PPolyproline II helixtrans-98.3120.8173.2-59.2176.3000107.3S39S39-I41 PolarHBondContact O-N 2.83Å
42G74.2Confident86Confident43 Ų4379 Ų7944%0.44342%0.415SS..SBendtrans72.2-135-179.500000112.9A65G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.8Å
43I79.3Confident86Confident50 Ų5080.8 Ų80.826%0.25642%0.42SS..EExtended strand (participates in β ladder)trans-135.3133-176.2-63.1-149.4000109W62 D63 T64 Y77I43-W62 HydrophobicContact CG2-CE3 3.6Å; I43-W62 HydrophobicContact CG2-CZ3 4.11Å; I43-D63 WeakPolarHBondContact CA-O 3.35Å; I43-D63 WeakPolarHBondContact CG2-O 3.43Å; I43-T64 HydrophobicContact CD1-CG2 4.06Å; I43-Y77 HydrophobicContact CB-CE1 4.2Å; I43-Y77 HydrophobicContact CD1-CD1 3.59Å; I43-Y77 HydrophobicContact CD1-CD2 3.29Å; I43-Y77 HydrophobicContact CD1-CE1 3.55Å; I43-Y77 HydrophobicContact CD1-CE2 3.23Å; I43-Y77 HydrophobicContact CD1-CG 3.46Å; I43-Y77 VanDerWaalsContact CD1-CG 3.46Å; I43-Y77 HydrophobicContact CG1-CD2 4.49Å; I43-Y77 HydrophobicContact CG1-CE1 4.19Å; I43-Y77 HydrophobicContact CG1-CE2 4.01Å; I43-Y77 HydrophobicContact CG2-CD1 4.33Å; I43-Y77 HydrophobicContact CG2-CE1 4.02Å
44D85.9Confident86.1Confident85 Ų8581 Ų8146%0.45544%0.439SS..EExtended strand (participates in β ladder)trans-121.2165.4173.1-166.612.1000109.3D63D44-D63 PolarHBondContact N-O 2.87Å; D44-D63 PolarHBondContact O-N 3.49Å
45F88.5Confident86.6Confident94 Ų9480.6 Ų80.641%0.41243%0.432SS..EExtended strand (participates in β ladder)trans-141.3144.4170.671-88000112.3I47 V61 W62F45-I47 HydrophobicContact CD2-CD1 4.41Å; F45-I47 HydrophobicContact CD2-CG1 4.04Å; F45-I47 HydrophobicContact CE2-CD1 3.91Å; F45-I47 HydrophobicContact CE2-CG1 4.03Å; F45-V61 CarbonylContact C-O 3.46Å; F45-V61 WeakPolarHBondContact CA-O 3.29Å; F45-V61 WeakPolarHBondContact CB-O 3.44Å; F45-W62 HydrophobicContact CB-CD2 4.04Å; F45-W62 HydrophobicContact CB-CE3 4.33Å; F45-W62 HydrophobicContact CB-CG 4.2Å; F45-W62 HydrophobicContact CD1-CH2 4.29Å; F45-W62 HydrophobicContact CD1-CZ2 4.49Å; F45-W62 HydrophobicContact CD1-CZ3 4.36Å
46K93.3Very high87.2Confident67 Ų6779.9 Ų79.929%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-111.2152.9170.3-65.8-69.3178.8167.10110.4I25 A29 E30 V61I25-K46 HydrophobicContact CG2-CB 3.74Å; I25-K46 HydrophobicContact CG2-CG 3.65Å; A29-K46 HydrophobicContact CB-CB 3.8Å; A29-K46 HydrophobicContact CB-CG 4.23Å; E30-K46 VanDerWaalsContact OE1-CE 3.25Å; E30-K46 WeakPolarHBondContact OE1-CE 3.31Å; E30-K46 IonicContact OE1-NZ 3.33Å; E30-K46 PolarHBondContact OE1-NZ 3.13Å; K46-V61 PolarHBondContact N-O 2.79Å; K46-V61 PolarHBondContact O-N 2.98Å
47I94.7Very high87.9Confident74 Ų7475.5 Ų75.538%0.37940%0.396SS..EExtended strand (participates in β ladder)trans-118.5128.1176.9-64.9-178.7000108.6F45 K58 L59 Q60F45-I47 HydrophobicContact CD2-CD1 4.41Å; F45-I47 HydrophobicContact CD2-CG1 4.04Å; F45-I47 HydrophobicContact CE2-CD1 3.91Å; F45-I47 HydrophobicContact CE2-CG1 4.03Å; I47-K58 HydrophobicContact CG2-CD 4.2Å; I47-K58 HydrophobicContact CG2-CG 3.83Å; I47-L59 VanDerWaalsContact CA-O 3.29Å; I47-L59 WeakPolarHBondContact CA-O 3Å; I47-Q60 HydrophobicContact CD1-CG 4.41Å; I47-Q60 HydrophobicContact CG1-CG 4.19Å
48R95Very high88.9Confident78 Ų7871.9 Ų71.929%0.29438%0.383SS..EExtended strand (participates in β ladder)trans-135.1135.7167.9-177.5168173.4-144.2-8.1109.3F28 V50 L59 D159F28-R48 HydrophobicContact CD1-CB 4.47Å; F28-R48 HydrophobicContact CE1-CB 3.89Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 HydrophobicContact CZ-CB 4.49Å; F28-R48 HydrophobicContact CZ-CG 4.4Å; F28-R48 WeakPolarHBondContact O-CD 3.39Å; F28-R48 PolarHBondContact O-NE 3.5Å; F28-R48 PolarHBondContact O-NH1 3.38Å; R48-V50 HydrophobicContact CG-CG1 4.31Å; R48-L59 PolarHBondContact N-O 3.42Å; R48-L59 VanDerWaalsContact N-O 3.14Å; R48-L59 WeakPolarHBondContact O-CB 3.45Å; R48-L59 PolarHBondContact O-N 3.35Å; R48-D159 IonicContact CZ-OD1 2.82Å; R48-D159 VanDerWaalsContact CZ-OD1 3.23Å; R48-D159 IonicContact NH1-OD1 3.98Å; R48-D159 PolarHBondContact NH1-OD1 2.66Å; R48-D159 IonicContact NH2-OD1 2.66Å; R48-D159 PolarHBondContact NH2-OD1 2.9Å
49T95.9Very high89.8Confident73 Ų7365.8 Ų65.845%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-95.5128.5171.5-57.10000108.6K56 I57T49-K56 HydrophobicContact CG2-CB 4.31Å; T49-I57 CarbonylContact C-O 3.57Å; T49-I57 VanDerWaalsContact CA-O 3.31Å; T49-I57 WeakPolarHBondContact CA-O 3.44Å
50V95.6Very high90.7Very high14 Ų1465.7 Ų65.79%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-118156.6176.7-62.30000110F28 R48 I52 I57 L59F28-V50 HydrophobicContact CZ-CG1 3.9Å; R48-V50 HydrophobicContact CG-CG1 4.31Å; V50-I52 HydrophobicContact CG2-CD1 3.59Å; V50-I52 HydrophobicContact CG2-CG1 3.96Å; V50-I57 HydrophobicContact CG2-CB 4.08Å; V50-I57 PolarHBondContact N-O 3.1Å; V50-I57 PolarHBondContact O-N 3.44Å; V50-L59 HydrophobicContact CG1-CD1 4.22Å; V50-L59 HydrophobicContact CG2-CD1 3.89Å; V50-L59 HydrophobicContact CG2-CG 4.13Å
51D95.7Very high91.7Very high105 Ų10564.4 Ų64.456%0.56134%0.338SS*.EExtended strand (participates in β ladder)trans-104.5118.8171.7-162.8-44.2000108.8G54 K55D51-G54 WeakPolarHBondContact OD1-CA 3.29Å; D51-G54 PolarHBondContact OD1-N 2.73Å; D51-K55 WeakPolarHBondContact CA-O 3.14Å
52I94.7Very high92.7Very high6 Ų659 Ų593%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-136123.4-177.6-66174.5000107.9V50 G54 K55 I57 S163 A166 R167 L170V50-I52 HydrophobicContact CG2-CD1 3.59Å; V50-I52 HydrophobicContact CG2-CG1 3.96Å; I52-G54 PolarHBondContact O-N 3.37Å; I52-K55 PolarHBondContact N-O 3.22Å; I52-K55 WeakPolarHBondContact O-CB 3.13Å; I52-K55 PolarHBondContact O-N 3.41Å; I52-I57 HydrophobicContact CB-CD1 3.84Å; I52-I57 HydrophobicContact CD1-CD1 4.21Å; I52-I57 HydrophobicContact CG1-CD1 4.47Å; I52-I57 HydrophobicContact CG2-CD1 4.32Å; I52-S163 WeakPolarHBondContact CD1-O 3.36Å; I52-A166 HydrophobicContact CD1-CB 3.36Å; I52-R167 HydrophobicContact CG2-CB 3.9Å; I52-R167 HydrophobicContact CG2-CG 4.07Å; I52-L170 HydrophobicContact CG2-CD2 4.08Å
53E92.4Very high93.5Very high127 Ų12757.3 Ų57.359%0.59329%0.287SS*.THydrogen-bonded Turntrans52.736.6-177-50.6-55.1139.800112.9K55 R167 L170E53-K55 PolarHBondContact O-N 2.59Å; E53-R167 IonicContact OE1-NE 2.74Å; E53-R167 PolarHBondContact OE1-NE 2.65Å; E53-L170 HydrophobicContact CB-CD2 3.96Å; E53-L170 HydrophobicContact CG-CD2 4.06Å
54G93.2Very high93.8Very high61 Ų6155 Ų5563%0.62928%0.276SS*.THydrogen-bonded Turntrans70.912.7-177.900000114.4D51 I52D51-G54 WeakPolarHBondContact OD1-CA 3.29Å; D51-G54 PolarHBondContact OD1-N 2.73Å; I52-G54 PolarHBondContact O-N 3.37Å
55K94.7Very high93.4Very high87 Ų8752.4 Ų52.438%0.37827%0.266SS..EExtended strand (participates in β ladder)trans-107.6131.7175.5-61.8-62.9-178.1-173.10110D6 D51 I52 E53 I57 L170D6-K55 HydrophobicContact CB-CB 4.25Å; D6-K55 HydrophobicContact CB-CD 4.02Å; D6-K55 WeakPolarHBondContact OD2-CA 3.32Å; D51-K55 WeakPolarHBondContact CA-O 3.14Å; I52-K55 PolarHBondContact N-O 3.22Å; I52-K55 WeakPolarHBondContact O-CB 3.13Å; I52-K55 PolarHBondContact O-N 3.41Å; E53-K55 PolarHBondContact O-N 2.59Å; K55-I57 HydrophobicContact CB-CG1 4.33Å; K55-I57 PolarHBondContact O-N 2.8Å; K55-L170 HydrophobicContact CG-CD2 4.46Å
56K96Very high92Very high115 Ų11548.4 Ų48.450%0.525%0.252SS..EExtended strand (participates in β ladder)trans-78.9111171.1-68.3-173.8-175.2-116.10109.1Y5 D6 H7 T49Y5-K56 CarbonylContact C-O 3.6Å; Y5-K56 WeakPolarHBondContact CB-O 3.5Å; D6-K56 PolarHBondContact N-O 3.3Å; D6-K56 PolarHBondContact OD2-N 3.22Å; H7-K56 PolarHBondContact N-O 2.71Å; T49-K56 HydrophobicContact CG2-CB 4.31Å
57I96.8Very high90.3Very high0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-109.4117.3-177.9-51.1-172000109.1H7 F9 T49 V50 I52 K55 L59 L170H7-I57 HydrophobicContact CB-CG1 4.41Å; H7-I57 HydrophobicContact CB-CG2 4.28Å; F9-I57 HydrophobicContact CB-CG2 4.49Å; F9-I57 HydrophobicContact CD2-CD1 4.46Å; F9-I57 HydrophobicContact CD2-CG2 3.34Å; F9-I57 HydrophobicContact CE2-CD1 3.71Å; F9-I57 HydrophobicContact CE2-CG2 3.55Å; F9-I57 HydrophobicContact CG-CG2 3.87Å; F9-I57 HydrophobicContact CZ-CD1 4.27Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; T49-I57 CarbonylContact C-O 3.57Å; T49-I57 VanDerWaalsContact CA-O 3.31Å; T49-I57 WeakPolarHBondContact CA-O 3.44Å; V50-I57 HydrophobicContact CG2-CB 4.08Å; V50-I57 PolarHBondContact N-O 3.1Å; V50-I57 PolarHBondContact O-N 3.44Å; I52-I57 HydrophobicContact CB-CD1 3.84Å; I52-I57 HydrophobicContact CD1-CD1 4.21Å; I52-I57 HydrophobicContact CG1-CD1 4.47Å; I52-I57 HydrophobicContact CG2-CD1 4.32Å; K55-I57 HydrophobicContact CB-CG1 4.33Å; K55-I57 PolarHBondContact O-N 2.8Å; I57-L59 HydrophobicContact CG2-CD2 3.7Å; I57-L59 HydrophobicContact CG2-CG 4.48Å; I57-L170 HydrophobicContact CD1-CB 4.21Å; I57-L170 HydrophobicContact CD1-CD1 4.14Å; I57-L170 HydrophobicContact CD1-CD2 4.1Å; I57-L170 HydrophobicContact CD1-CG 4.37Å
58K96.7Very high88.2Confident59 Ų5950 Ų5026%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-84.4113.9172.3-170.4171.8-172.9179.20108.9Y5 H7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.11Å; Y5-K58 HydrophobicContact CD1-CD 3.78Å; Y5-K58 HydrophobicContact CD2-CB 4.15Å; Y5-K58 HydrophobicContact CE1-CD 3.79Å; Y5-K58 HydrophobicContact CG-CB 3.85Å; Y5-K58 HydrophobicContact CG-CD 4.38Å; H7-K58 PolarHBondContact O-N 3.44Å; L8-K58 CarbonylContact C-O 3.59Å; L8-K58 WeakPolarHBondContact CA-O 3.47Å; L8-K58 HydrophobicContact CD1-CB 3.91Å; L8-K58 HydrophobicContact CD1-CD 4.04Å; L8-K58 HydrophobicContact CD1-CG 3.86Å; L8-K58 WeakPolarHBondContact CD1-O 3.36Å; F9-K58 PolarHBondContact N-O 3.25Å; I47-K58 HydrophobicContact CG2-CD 4.2Å; I47-K58 HydrophobicContact CG2-CG 3.83Å
59L97.2Very high86.1Confident0 Ų055.4 Ų55.40%028%0.279CS..EExtended strand (participates in β ladder)trans-94125.6176.1-56.4179.6000109.4F9 L11 F28 I47 R48 V50 I57 V61 A166F9-L59 HydrophobicContact CB-CD2 3.86Å; F9-L59 HydrophobicContact CD2-CD2 4.05Å; F9-L59 HydrophobicContact CG-CD2 4.41Å; L11-L59 HydrophobicContact CD1-CD1 4.22Å; L11-L59 HydrophobicContact CD1-CD2 4.26Å; F28-L59 HydrophobicContact CE1-CD1 3.96Å; F28-L59 HydrophobicContact CZ-CD1 3.74Å; I47-L59 VanDerWaalsContact CA-O 3.29Å; I47-L59 WeakPolarHBondContact CA-O 3Å; R48-L59 PolarHBondContact N-O 3.42Å; R48-L59 VanDerWaalsContact N-O 3.14Å; R48-L59 WeakPolarHBondContact O-CB 3.45Å; R48-L59 PolarHBondContact O-N 3.35Å; V50-L59 HydrophobicContact CG1-CD1 4.22Å; V50-L59 HydrophobicContact CG2-CD1 3.89Å; V50-L59 HydrophobicContact CG2-CG 4.13Å; I57-L59 HydrophobicContact CG2-CD2 3.7Å; I57-L59 HydrophobicContact CG2-CG 4.48Å; L59-V61 HydrophobicContact CB-CG2 4.15Å; L59-A166 HydrophobicContact CD1-CB 4.25Å; L59-A166 HydrophobicContact CD2-CB 3.87Å
60Q96.4Very high84.1Confident47 Ų4759.1 Ų59.122%0.2229%0.289CS..EExtended strand (participates in β ladder)trans-99108.1163.7-71.4179.1-7.900107.7L8 F9 L11 I47L8-Q60 HydrophobicContact CD1-CG 3.87Å; F9-Q60 PolarHBondContact O-N 3.36Å; L11-Q60 PolarHBondContact N-O 3.15Å; I47-Q60 HydrophobicContact CD1-CG 4.41Å; I47-Q60 HydrophobicContact CG1-CG 4.19Å
61V95.9Very high82.1Confident2 Ų265.4 Ų65.41%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-103.1110-175.6-174.10000108.7L11 L13 I25 F28 F45 K46 L59 F162L11-V61 HydrophobicContact CB-CG2 4.49Å; L11-V61 HydrophobicContact CD1-CG2 4.36Å; L13-V61 HydrophobicContact CD1-CG1 3.33Å; I25-V61 HydrophobicContact CB-CG1 4.46Å; I25-V61 HydrophobicContact CD1-CG1 3.95Å; I25-V61 HydrophobicContact CG1-CG1 3.68Å; I25-V61 HydrophobicContact CG2-CB 4.39Å; I25-V61 HydrophobicContact CG2-CG1 4.07Å; F28-V61 HydrophobicContact CD1-CG2 4.41Å; F28-V61 HydrophobicContact CE1-CG2 4.3Å; F45-V61 CarbonylContact C-O 3.46Å; F45-V61 WeakPolarHBondContact CA-O 3.29Å; F45-V61 WeakPolarHBondContact CB-O 3.44Å; K46-V61 PolarHBondContact N-O 2.79Å; K46-V61 PolarHBondContact O-N 2.98Å; L59-V61 HydrophobicContact CB-CG2 4.15Å; V61-F162 HydrophobicContact CG1-CE1 3.65Å; V61-F162 HydrophobicContact CG1-CZ 4.29Å; V61-F162 HydrophobicContact CG2-CD1 4.39Å; V61-F162 HydrophobicContact CG2-CE1 4.12Å
62W94.2Very high80.3Confident52 Ų5265.2 Ų65.220%0.19732%0.318CS..EExtended strand (participates in β ladder)trans-92.2119.2-176-67.472000110.2L11 L12 L13 I43 F45 Y77L11-W62 WeakPolarHBondContact O-CB 3.35Å; L11-W62 PolarHBondContact O-N 3.02Å; L12-W62 HydrophobicContact CD1-CB 3.71Å; L13-W62 PolarHBondContact N-O 3.23Å; I43-W62 HydrophobicContact CG2-CE3 3.6Å; I43-W62 HydrophobicContact CG2-CZ3 4.11Å; F45-W62 HydrophobicContact CB-CD2 4.04Å; F45-W62 HydrophobicContact CB-CE3 4.33Å; F45-W62 HydrophobicContact CB-CG 4.2Å; F45-W62 HydrophobicContact CD1-CH2 4.29Å; F45-W62 HydrophobicContact CD1-CZ2 4.49Å; F45-W62 HydrophobicContact CD1-CZ3 4.36Å; W62-Y77 HydrophobicContact CE3-CD1 4.36Å; W62-Y77 HydrophobicContact CZ3-CD1 4.38Å; W62-Y77 HydrophobicContact CZ3-CE1 4.32Å
63D91Very high79Confident7 Ų765.6 Ų65.64%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-88.5128.6174.6-166.317.2000110.1T22 I25 T40 I43 D44T22-D63 WeakPolarHBondContact CA-OD2 3.31Å; T22-D63 VanDerWaalsContact CB-OD2 3.27Å; T22-D63 WeakPolarHBondContact CB-OD2 3.3Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.38Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å; I25-D63 HydrophobicContact CD1-CB 3.36Å; T40-D63 PolarHBondContact OG1-OD2 3.32Å; I43-D63 WeakPolarHBondContact CA-O 3.35Å; I43-D63 WeakPolarHBondContact CG2-O 3.43Å; D44-D63 PolarHBondContact N-O 2.87Å; D44-D63 PolarHBondContact O-N 3.49Å
64T85.7Confident77.9Confident2 Ų263 Ų631%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-105.4135.9177.8630000110.4L12 L13 K21 I43 G66 I73L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.16Å; L13-T64 WeakPolarHBondContact O-CB 3.41Å; L13-T64 VanDerWaalsContact O-CG2 3.24Å; L13-T64 WeakPolarHBondContact O-CG2 3.32Å; L13-T64 PolarHBondContact O-OG1 3.03Å; K21-T64 WeakPolarHBondContact CE-O 3.43Å; I43-T64 HydrophobicContact CD1-CG2 4.06Å; T64-G66 PolarHBondContact O-N 3.49Å; T64-I73 HydrophobicContact CG2-CD1 4.03Å; T64-I73 HydrophobicContact CG2-CG1 4.34Å
65A77.2Confident77Confident30 Ų3063.8 Ų63.825%0.24831%0.306CS..  trans-58.3126166.500000110.2T40 G42 Q67T40-A65 WeakPolarHBondContact O-CB 3.25Å; G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.8Å; A65-Q67 PolarHBondContact O-N 2.74Å; A65-Q67 VanDerWaalsContact O-N 3.17Å
66G60.5Low76.3Confident11 Ų1162.3 Ų62.311%0.11331%0.31CS..  trans-79.821.7176.400000114.4S17 T64 E68S17-G66 WeakPolarHBondContact CA-O 3.39Å; S17-G66 WeakPolarHBondContact CB-O 3.22Å; S17-G66 PolarHBondContact N-O 3.21Å; S17-G66 VanDerWaalsContact N-O 3.13Å; T64-G66 PolarHBondContact O-N 3.49Å; G66-E68 PolarHBondContact O-N 2.82Å; G66-E68 VanDerWaalsContact O-N 3.08Å
67Q57.4Low75.8Confident67 Ų6760.5 Ų60.531%0.31330%0.3SS..  trans-66.7110.2-172.8-86.3-86.8-3.500111.9A65 R69 F70A65-Q67 PolarHBondContact O-N 2.74Å; A65-Q67 VanDerWaalsContact O-N 3.17Å; Q67-R69 PolarHBondContact O-N 2.7Å; Q67-F70 PolarHBondContact O-N 2.82Å
68E49.6Very low75.4Confident106 Ų10660.5 Ų60.550%0.49530%0.3SS..THydrogen-bonded Turntrans-58.9-22.9-177.665.1-67.8155.500114.3G66 F70 K71G66-E68 PolarHBondContact O-N 2.82Å; G66-E68 VanDerWaalsContact O-N 3.08Å; E68-F70 VanDerWaalsContact C-N 3.3Å; E68-F70 PolarHBondContact O-N 2.9Å; E68-K71 WeakPolarHBondContact O-CG 3.25Å
69R50.6Low74.9Confident193 Ų19366.6 Ų66.673%0.72832%0.322SS*.THydrogen-bonded Turntrans-72.3-23.4179.6-76.6-170.7-69.9166.5-1.6113.7Q67Q67-R69 PolarHBondContact O-N 2.7Å
70F53.7Low74.5Confident151 Ų15168.6 Ų68.666%0.66234%0.342SS*.THydrogen-bonded Turntrans-104.7-19.3-177.8-64-67.6000113.6Q67 E68 T72Q67-F70 PolarHBondContact O-N 2.82Å; E68-F70 VanDerWaalsContact C-N 3.3Å; E68-F70 PolarHBondContact O-N 2.9Å; F70-T72 WeakPolarHBondContact O-CA 3.44Å; F70-T72 WeakPolarHBondContact O-CB 3.05Å; F70-T72 PolarHBondContact O-N 2.71Å; F70-T72 PolarHBondContact O-OG1 3.4Å
71K54.1Low74.4Confident145 Ų14566.6 Ų66.663%0.6333%0.334SS*.  trans35.619.1179.4-64.8-158.9177.9-177.30116.5E68E68-K71 WeakPolarHBondContact O-CG 3.25Å
72T58Low74.5Confident102 Ų10269.5 Ų69.563%0.62635%0.348SS*.  trans-143.695.6-165.6-49.30000105.8F70 T74F70-T72 WeakPolarHBondContact O-CA 3.44Å; F70-T72 WeakPolarHBondContact O-CB 3.05Å; F70-T72 PolarHBondContact O-N 2.71Å; F70-T72 PolarHBondContact O-OG1 3.4Å; T72-T74 PolarHBondContact O-N 2.71Å
73I67Low74.6Confident14 Ų1467 Ų677%0.07234%0.339CS..  trans-61.8124.1156.8-64167.7000105.1I14 T64 T75 Y77 Y78 W102I14-I73 HydrophobicContact CB-CD1 3.72Å; I14-I73 HydrophobicContact CG2-CD1 3.23Å; T64-I73 HydrophobicContact CG2-CD1 4.03Å; T64-I73 HydrophobicContact CG2-CG1 4.34Å; I73-T75 PolarHBondContact O-N 3.14Å; I73-Y77 HydrophobicContact CG2-CD2 4.11Å; I73-Y77 HydrophobicContact CG2-CG 4.41Å; I73-Y78 HydrophobicContact CB-CD2 4.44Å; I73-Y78 HydrophobicContact CB-CE2 3.74Å; I73-Y78 HydrophobicContact CG2-CD2 4.07Å; I73-Y78 HydrophobicContact CG2-CE2 3.82Å; I73-W102 HydrophobicContact CD1-CE3 4.34Å; I73-W102 HydrophobicContact CD1-CH2 4.36Å; I73-W102 HydrophobicContact CD1-CZ3 3.64Å; I73-W102 HydrophobicContact CG1-CZ3 4.03Å
74T69Low74.9Confident72 Ų7266.7 Ų66.744%0.44234%0.337SS..  trans-59.2140.1179.767.10000109T72 A76 Y77T72-T74 PolarHBondContact O-N 2.71Å; T74-A76 PolarHBondContact O-N 2.97Å; T74-Y77 PolarHBondContact O-N 3.34Å; T74-Y77 WeakPolarHBondContact OG1-CD2 3.23Å; T74-Y77 WeakPolarHBondContact OG1-CE2 3.32Å
75T75.6Confident75.5Confident78 Ų7866.6 Ų66.648%0.47934%0.336SS..Hα-helixtrans-52.2-26-179.2610000112.6I73 Y77 Y78 R79 N109I73-T75 PolarHBondContact O-N 3.14Å; T75-Y77 VanDerWaalsContact C-N 3.29Å; T75-Y77 PolarHBondContact O-N 2.82Å; T75-Y78 PolarHBondContact O-N 3.23Å; T75-R79 PolarHBondContact O-N 3.08Å; T75-N109 HydrophobicContact CG2-CB 4.46Å; T75-N109 WeakPolarHBondContact CG2-OD1 3.43Å
76A80.2Confident76.4Confident56 Ų5665.2 Ų65.246%0.46333%0.325SS..Hα-helixtrans-56.5-35.4173.900000114T74 R79T74-A76 PolarHBondContact O-N 2.97Å; A76-R79 WeakPolarHBondContact O-CB 3.26Å; A76-R79 PolarHBondContact O-N 3.17Å
77Y84.3Confident78.2Confident77 Ų7764.7 Ų64.730%0.30232%0.319SS..Hα-helixtrans-80-34-178.1-63.7-66.6000113K10 I43 W62 I73 T74 T75 R79K10-Y77 WeakPolarHBondContact CE-O 3.31Å; K10-Y77 PolarHBondContact NZ-O 3.49Å; I43-Y77 HydrophobicContact CB-CE1 4.2Å; I43-Y77 HydrophobicContact CD1-CD1 3.59Å; I43-Y77 HydrophobicContact CD1-CD2 3.29Å; I43-Y77 HydrophobicContact CD1-CE1 3.55Å; I43-Y77 HydrophobicContact CD1-CE2 3.23Å; I43-Y77 HydrophobicContact CD1-CG 3.46Å; I43-Y77 VanDerWaalsContact CD1-CG 3.46Å; I43-Y77 HydrophobicContact CG1-CD2 4.49Å; I43-Y77 HydrophobicContact CG1-CE1 4.19Å; I43-Y77 HydrophobicContact CG1-CE2 4.01Å; I43-Y77 HydrophobicContact CG2-CD1 4.33Å; I43-Y77 HydrophobicContact CG2-CE1 4.02Å; W62-Y77 HydrophobicContact CE3-CD1 4.36Å; W62-Y77 HydrophobicContact CZ3-CD1 4.38Å; W62-Y77 HydrophobicContact CZ3-CE1 4.32Å; I73-Y77 HydrophobicContact CG2-CD2 4.11Å; I73-Y77 HydrophobicContact CG2-CG 4.41Å; T74-Y77 PolarHBondContact O-N 3.34Å; T74-Y77 WeakPolarHBondContact OG1-CD2 3.23Å; T74-Y77 WeakPolarHBondContact OG1-CE2 3.32Å; T75-Y77 VanDerWaalsContact C-N 3.29Å; T75-Y77 PolarHBondContact O-N 2.82Å; Y77-R79 PolarHBondContact O-N 2.97Å
78Y88.4Confident80.1Confident0 Ų061.5 Ų61.50%030%0.304CS..Hα-helixtrans-61.8-33.4170.5-73.2-74000111.9L12 I73 T75 G80 A81 I84 S105 I106 N109 A110L12-Y78 HydrophobicContact CD2-CD1 3.94Å; L12-Y78 HydrophobicContact CD2-CE1 4.11Å; L12-Y78 HydrophobicContact CD2-CG 4.43Å; I73-Y78 HydrophobicContact CB-CD2 4.44Å; I73-Y78 HydrophobicContact CB-CE2 3.74Å; I73-Y78 HydrophobicContact CG2-CD2 4.07Å; I73-Y78 HydrophobicContact CG2-CE2 3.82Å; T75-Y78 PolarHBondContact O-N 3.23Å; Y78-G80 PolarHBondContact O-N 2.99Å; Y78-A81 WeakPolarHBondContact O-CB 3.25Å; Y78-A81 PolarHBondContact O-N 3.02Å; Y78-I84 HydrophobicContact CD1-CD1 3.76Å; Y78-I84 HydrophobicContact CE1-CD1 4.05Å; Y78-S105 WeakPolarHBondContact OH-CB 3.35Å; Y78-S105 PolarHBondContact OH-OG 3.19Å; Y78-I106 HydrophobicContact CE1-CG1 3.95Å; Y78-N109 WeakPolarHBondContact CB-O 3.23Å; Y78-N109 HydrophobicContact CD2-CB 3.5Å; Y78-N109 VanDerWaalsContact CD2-CB 3.5Å; Y78-N109 HydrophobicContact CE2-CB 3.98Å; Y78-N109 HydrophobicContact CG-CB 3.78Å; Y78-A110 HydrophobicContact CD1-CB 4.13Å
79R86Confident82.4Confident187 Ų18756.9 Ų56.971%0.70628%0.283SS*.THydrogen-bonded Turntrans-58.4125.4178.8-170.4178.9-70.2164.2-1.7111K10 T75 A76 Y77 A81K10-R79 PolarHBondContact NZ-O 3.5Å; T75-R79 PolarHBondContact O-N 3.08Å; A76-R79 WeakPolarHBondContact O-CB 3.26Å; A76-R79 PolarHBondContact O-N 3.17Å; Y77-R79 PolarHBondContact O-N 2.97Å; R79-A81 PolarHBondContact O-N 2.94Å
80G89.9Confident84.7Confident42 Ų4247.7 Ų47.743%0.43325%0.249SC..THydrogen-bonded Turntrans75.90.9179.300000115.1Y78 M82Y78-G80 PolarHBondContact O-N 2.99Å; G80-M82 PolarHBondContact O-N 2.9Å
81A94.8Very high86.9Confident5 Ų541.5 Ų41.54%0.04122%0.223CC..  trans-63.2127.216900000109.3L12 Y78 R79 I84 V114L12-A81 HydrophobicContact CB-CB 4.35Å; Y78-A81 WeakPolarHBondContact O-CB 3.25Å; Y78-A81 PolarHBondContact O-N 3.02Å; R79-A81 PolarHBondContact O-N 2.94Å; A81-I84 HydrophobicContact CB-CD1 4.43Å; A81-I84 HydrophobicContact CB-CG1 4.09Å; A81-V114 HydrophobicContact CB-CG2 4.47Å; A81-V114 WeakPolarHBondContact O-CG2 3.36Å
82M96.7Very high88.9Confident63 Ų6337.4 Ų37.431%0.3121%0.208SC..SBendtrans-94.7-29.5176.8-61.7178.873.300110.8F9 K10 G80 E115 I169F9-M82 HydrophobicContact CB-SD 4.17Å; F9-M82 HydrophobicContact CD1-CE 3.42Å; F9-M82 VanDerWaalsContact CD1-CE 3.42Å; F9-M82 HydrophobicContact CD1-SD 3.52Å; F9-M82 VanDerWaalsContact CD1-SD 3.52Å; F9-M82 HydrophobicContact CE1-CE 3.63Å; F9-M82 HydrophobicContact CE1-SD 4.33Å; F9-M82 HydrophobicContact CG-CE 4.35Å; F9-M82 HydrophobicContact CG-SD 4.19Å; K10-M82 PolarHBondContact O-N 2.91Å; G80-M82 PolarHBondContact O-N 2.9Å; M82-E115 PolarHBondContact O-N 3.02Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.49Å; M82-I169 HydrophobicContact CB-CG2 3.91Å; M82-I169 HydrophobicContact CE-CG2 3.6Å
83G97.6Very high90.8Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-135.6147.6170.300000111.8K10 L11 L12 E115K10-G83 PolarHBondContact O-N 2.82Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.21Å; L12-G83 PolarHBondContact N-O 2.85Å; G83-E115 CarbonylContact C-O 3.55Å; G83-E115 VanDerWaalsContact CA-O 3.25Å; G83-E115 WeakPolarHBondContact CA-O 3.19Å
84I96.8Very high92.2Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-127.8127.8174.9-61.7170.9000108.7L12 I14 Y78 A81 I106 A110 V114 E115 R116 L117L12-I84 HydrophobicContact CB-CG1 4.26Å; L12-I84 CarbonylContact O-C 3.59Å; L12-I84 WeakPolarHBondContact O-CA 3.31Å; I14-I84 HydrophobicContact CD1-CG2 3.85Å; I14-I84 HydrophobicContact CG1-CG2 3.96Å; I14-I84 HydrophobicContact CG2-CG2 4.17Å; Y78-I84 HydrophobicContact CD1-CD1 3.76Å; Y78-I84 HydrophobicContact CE1-CD1 4.05Å; A81-I84 HydrophobicContact CB-CD1 4.43Å; A81-I84 HydrophobicContact CB-CG1 4.09Å; I84-I106 HydrophobicContact CB-CD1 4.25Å; I84-I106 HydrophobicContact CD1-CB 4.47Å; I84-I106 HydrophobicContact CD1-CD1 4.38Å; I84-I106 HydrophobicContact CD1-CG1 3.97Å; I84-I106 HydrophobicContact CD1-CG2 3.83Å; I84-I106 HydrophobicContact CG2-CD1 3.64Å; I84-I106 HydrophobicContact CG2-CG1 4.09Å; I84-A110 HydrophobicContact CD1-CB 3.8Å; I84-V114 HydrophobicContact CB-CG2 4.48Å; I84-V114 HydrophobicContact CD1-CG1 4.17Å; I84-V114 HydrophobicContact CD1-CG2 3.72Å; I84-V114 HydrophobicContact CG1-CG2 3.67Å; I84-E115 PolarHBondContact N-O 2.88Å; I84-R116 VanDerWaalsContact O-CA 3.3Å; I84-R116 WeakPolarHBondContact O-CA 3.45Å; I84-L117 PolarHBondContact O-N 2.76Å
85I97.9Very high93.5Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-104.9117.8177.1-60174.8000107.5L12 L13 I14 V87 L117 L119 F162 L165L12-I85 PolarHBondContact O-N 2.94Å; L13-I85 WeakPolarHBondContact CA-O 3.43Å; L13-I85 HydrophobicContact CD1-CB 4.43Å; L13-I85 HydrophobicContact CD1-CD1 4.08Å; L13-I85 HydrophobicContact CG-CB 4.05Å; L13-I85 HydrophobicContact CG-CD1 4.42Å; L13-I85 HydrophobicContact CG-CG2 4.35Å; I14-I85 PolarHBondContact N-O 3.1Å; I85-V87 HydrophobicContact CG2-CG2 3.89Å; I85-L117 CarbonylContact C-O 3.51Å; I85-L117 WeakPolarHBondContact CA-O 3.17Å; I85-L117 HydrophobicContact CG1-CB 4.31Å; I85-L117 HydrophobicContact CG1-CD2 4.4Å; I85-L119 HydrophobicContact CG2-CD1 3.35Å; I85-L119 HydrophobicContact CG2-CG 3.66Å; I85-F162 HydrophobicContact CD1-CD1 3.72Å; I85-F162 HydrophobicContact CD1-CE1 3.47Å; I85-F162 VanDerWaalsContact CD1-CE1 3.47Å; I85-F162 HydrophobicContact CD1-CE2 4.42Å; I85-F162 HydrophobicContact CD1-CG 4.29Å; I85-F162 HydrophobicContact CD1-CZ 3.88Å; I85-L165 HydrophobicContact CD1-CD2 3.94Å; I85-L165 HydrophobicContact CG1-CD2 3.38Å
86L96.8Very high94.5Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-92.2127.9172.9-58.793.7000108.9I14 I99 W102 M103 I106 R116 L117 L118 L119I14-L86 HydrophobicContact CD1-CD2 4.15Å; I14-L86 HydrophobicContact CD1-CG 4.05Å; I14-L86 HydrophobicContact CG1-CB 4.43Å; I14-L86 HydrophobicContact CG1-CD2 4.44Å; I14-L86 HydrophobicContact CG1-CG 3.95Å; I14-L86 WeakPolarHBondContact O-CA 3.48Å; L86-I99 HydrophobicContact CB-CD1 4.19Å; L86-I99 HydrophobicContact CD2-CG2 4.15Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; L86-M103 HydrophobicContact CD1-CE 3.8Å; L86-M103 HydrophobicContact CD1-SD 4.06Å; L86-M103 HydrophobicContact CD2-CE 3.61Å; L86-M103 HydrophobicContact CD2-CG 3.91Å; L86-M103 HydrophobicContact CD2-SD 3.62Å; L86-M103 HydrophobicContact CG-CE 4.27Å; L86-I106 HydrophobicContact CD1-CD1 3.67Å; L86-I106 HydrophobicContact CD2-CD1 3.78Å; L86-I106 HydrophobicContact CG-CD1 3.85Å; L86-R116 HydrophobicContact CD1-CB 4.46Å; L86-L117 PolarHBondContact N-O 2.85Å; L86-L118 HydrophobicContact CB-CD1 4.05Å; L86-L118 CarbonylContact O-C 3.56Å; L86-L119 PolarHBondContact O-N 2.82Å
87V97.6Very high95.3Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-121.6130.1-175.9-169.80000110L13 I14 G15 V19 K21 L24 I85 L119 N121L13-V87 HydrophobicContact CD2-CG2 4.34Å; I14-V87 PolarHBondContact O-N 3Å; G15-V87 WeakPolarHBondContact CA-O 3.23Å; V19-V87 HydrophobicContact CB-CG1 4.28Å; V19-V87 HydrophobicContact CG2-CB 3.94Å; V19-V87 HydrophobicContact CG2-CG1 3.79Å; K21-V87 HydrophobicContact CG-CB 4.15Å; K21-V87 HydrophobicContact CG-CG2 4.19Å; L24-V87 HydrophobicContact CD1-CG1 3.76Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; I85-V87 HydrophobicContact CG2-CG2 3.89Å; V87-L119 WeakPolarHBondContact CA-O 3.47Å; V87-L119 HydrophobicContact CG2-CB 4.43Å; V87-L119 HydrophobicContact CG2-CD1 4.48Å; V87-N121 HydrophobicContact CG1-CB 3.88Å
88Y98Very high95.8Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-122.3167.8164.876-83.1000110.2I90 F96 I99 L118 L119 N121 V131 A136 F147Y88-I90 HydrophobicContact CE2-CB 4.47Å; Y88-I90 HydrophobicContact CE2-CG2 3.92Å; Y88-F96 AromaticContact CD1-CD2 3.89Å; Y88-F96 HydrophobicContact CD1-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CB 3.71Å; Y88-F96 AromaticContact CD2-CD2 3.87Å; Y88-F96 HydrophobicContact CD2-CD2 3.87Å; Y88-F96 HydrophobicContact CD2-CG 4.22Å; Y88-F96 AromaticContact CE1-CD2 3.85Å; Y88-F96 HydrophobicContact CE1-CD2 3.85Å; Y88-F96 HydrophobicContact CE1-CE2 4.25Å; Y88-F96 HydrophobicContact CE2-CB 4.23Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.34Å; Y88-F96 HydrophobicContact CG-CB 4.1Å; Y88-F96 AromaticContact CG-CD2 3.9Å; Y88-F96 HydrophobicContact CG-CD2 3.9Å; Y88-F96 AromaticContact CZ-CD2 3.86Å; Y88-I99 HydrophobicContact CD1-CG1 4.41Å; Y88-L118 HydrophobicContact CD1-CD1 3.99Å; Y88-L118 HydrophobicContact CD1-CG 4.47Å; Y88-L118 HydrophobicContact CE1-CD1 4.31Å; Y88-L118 HydrophobicContact CE1-CD2 4.49Å; Y88-L118 HydrophobicContact CE1-CG 4.3Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 2.98Å; Y88-N121 PolarHBondContact O-N 2.78Å; Y88-V131 HydrophobicContact CD2-CG2 4.4Å; Y88-V131 HydrophobicContact CE2-CB 3.88Å; Y88-V131 HydrophobicContact CE2-CG1 3.74Å; Y88-V131 HydrophobicContact CE2-CG2 4.1Å; Y88-A136 HydrophobicContact CE1-CB 4.08Å; Y88-A136 WeakPolarHBondContact OH-CB 3.44Å; Y88-F147 HydrophobicContact CE1-CE2 4.05Å
89D98.2Very high96.1Very high10 Ų1037.5 Ų37.55%0.05318%0.182CC..EExtended strand (participates in β ladder)trans-102.4124.1174.4177.2-12.2000109.3V19 T91 D92 S95 K122V19-D89 HydrophobicContact CB-CB 4.26Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.03Å; D89-T91 WeakPolarHBondContact OD1-CA 3.38Å; D89-T91 WeakPolarHBondContact OD1-CB 3.45Å; D89-T91 PolarHBondContact OD1-N 2.84Å; D89-T91 PolarHBondContact OD1-OG1 3.18Å; D89-T91 PolarHBondContact OD2-OG1 3.34Å; D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 CarbonylContact O-C 3.58Å; D89-D92 PolarHBondContact O-N 3.3Å; D89-S95 PolarHBondContact N-OG 2.8Å; D89-S95 PolarHBondContact O-OG 3.02Å; D89-K122 VanDerWaalsContact OD2-CD 3.29Å; D89-K122 WeakPolarHBondContact OD2-CD 3.22Å; D89-K122 WeakPolarHBondContact OD2-CE 3.32Å; D89-K122 IonicContact OD2-NZ 2.8Å; D89-K122 PolarHBondContact OD2-NZ 3.23Å
90I98.7Very high96.5Very high0 Ų032.5 Ų32.50%017%0.167CC..THydrogen-bonded Turntrans-62.3-16.9-178.865.8143.3000113.6Y88 N121 K122 C123 R129 K130 V131Y88-I90 HydrophobicContact CE2-CB 4.47Å; Y88-I90 HydrophobicContact CE2-CG2 3.92Å; I90-N121 WeakPolarHBondContact CG1-O 3.25Å; I90-N121 PolarHBondContact N-O 3.01Å; I90-K122 WeakPolarHBondContact CD1-O 3.16Å; I90-K122 WeakPolarHBondContact CG1-O 3.27Å; I90-C123 HydrophobicContact CD1-CB 4.28Å; I90-R129 HydrophobicContact CD1-CB 4.2Å; I90-R129 HydrophobicContact CD1-CG 4.31Å; I90-K130 PolarHBondContact O-N 3.4Å; I90-V131 PolarHBondContact O-N 2.9Å
91T98.4Very high96.6Very high21 Ų2135.1 Ų35.113%0.12917%0.171CC..THydrogen-bonded Turntrans-94.2-2.1178.374.30000113.3D89 M125 K128 K130D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.03Å; D89-T91 WeakPolarHBondContact OD1-CA 3.38Å; D89-T91 WeakPolarHBondContact OD1-CB 3.45Å; D89-T91 PolarHBondContact OD1-N 2.84Å; D89-T91 PolarHBondContact OD1-OG1 3.18Å; D89-T91 PolarHBondContact OD2-OG1 3.34Å; T91-M125 HydrophobicContact CG2-CB 3.69Å; T91-M125 HydrophobicContact CG2-CE 4.44Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; T91-K128 WeakPolarHBondContact CA-O 3.4Å; T91-K128 WeakPolarHBondContact CB-O 3.47Å; T91-K128 HydrophobicContact CG2-CB 3.82Å; T91-K130 WeakPolarHBondContact O-CD 3.26Å; T91-K130 VanDerWaalsContact O-CE 3.25Å; T91-K130 WeakPolarHBondContact O-CE 3.49Å; T91-K130 WeakPolarHBondContact O-CG 3.37Å
92D97.5Very high96.5Very high58 Ų5836.2 Ų36.231%0.3117%0.174SC..  trans-129.398179.8-176.53.7000111.2D89 K94 S95 F96D89-D92 HydrophobicContact CB-CB 4.09Å; D89-D92 CarbonylContact O-C 3.58Å; D89-D92 PolarHBondContact O-N 3.3Å; D92-K94 VanDerWaalsContact C-N 3.27Å; D92-K94 PolarHBondContact O-N 3.31Å; D92-K94 WeakPolarHBondContact OD1-CB 3.09Å; D92-K94 PolarHBondContact OD1-N 2.89Å; D92-K94 VanDerWaalsContact OD1-N 3.1Å; D92-S95 WeakPolarHBondContact O-CB 3.48Å; D92-S95 PolarHBondContact O-N 2.81Å; D92-S95 VanDerWaalsContact O-N 3.15Å; D92-S95 PolarHBondContact O-OG 2.85Å; D92-F96 PolarHBondContact O-N 2.86Å
93E97.5Very high96.3Very high97 Ų9733.7 Ų33.745%0.45316%0.161SC..Hα-helixtrans-57.6-37178.6-172.9170.6-156.300113S95 F96 E97 K130 V131E93-S95 VanDerWaalsContact C-N 3.29Å; E93-S95 PolarHBondContact O-N 3.08Å; E93-F96 WeakPolarHBondContact O-CB 3.48Å; E93-F96 PolarHBondContact O-N 3.01Å; E93-E97 WeakPolarHBondContact O-CG 3.43Å; E93-E97 PolarHBondContact O-N 3.46Å; E93-K130 HydrophobicContact CB-CB 4.31Å; E93-V131 HydrophobicContact CB-CG2 4.49Å
94K96.1Very high96Very high136 Ų13639.7 Ų39.759%0.59119%0.188SC*.Hα-helixtrans-64.6-36.9179.1-176178.3179.9178.60111.7D92 F96 E97 N98D92-K94 VanDerWaalsContact C-N 3.27Å; D92-K94 PolarHBondContact O-N 3.31Å; D92-K94 WeakPolarHBondContact OD1-CB 3.09Å; D92-K94 PolarHBondContact OD1-N 2.89Å; D92-K94 VanDerWaalsContact OD1-N 3.1Å; K94-F96 PolarHBondContact O-N 3.49Å; K94-E97 PolarHBondContact O-N 2.86Å; K94-N98 PolarHBondContact O-N 3.12Å; K94-N98 PolarHBondContact O-ND2 3.26Å
95S96.1Very high95.6Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-63.5-32.6175.980.30000112D89 D92 E93D89-S95 PolarHBondContact N-OG 2.8Å; D89-S95 PolarHBondContact O-OG 3.02Å; D92-S95 WeakPolarHBondContact O-CB 3.48Å; D92-S95 PolarHBondContact O-N 2.81Å; D92-S95 VanDerWaalsContact O-N 3.15Å; D92-S95 PolarHBondContact O-OG 2.85Å; E93-S95 VanDerWaalsContact C-N 3.29Å; E93-S95 PolarHBondContact O-N 3.08Å
96F98Very high95.4Very high28 Ų2841 Ų4112%0.12320%0.196CC..Hα-helixtrans-74.9-44.4175.4178.2-108.7000112.2Y88 D92 E93 K94 N98 I99 V131 Q135 A136 L139Y88-F96 AromaticContact CD1-CD2 3.89Å; Y88-F96 HydrophobicContact CD1-CD2 3.89Å; Y88-F96 HydrophobicContact CD2-CB 3.71Å; Y88-F96 AromaticContact CD2-CD2 3.87Å; Y88-F96 HydrophobicContact CD2-CD2 3.87Å; Y88-F96 HydrophobicContact CD2-CG 4.22Å; Y88-F96 AromaticContact CE1-CD2 3.85Å; Y88-F96 HydrophobicContact CE1-CD2 3.85Å; Y88-F96 HydrophobicContact CE1-CE2 4.25Å; Y88-F96 HydrophobicContact CE2-CB 4.23Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.34Å; Y88-F96 HydrophobicContact CG-CB 4.1Å; Y88-F96 AromaticContact CG-CD2 3.9Å; Y88-F96 HydrophobicContact CG-CD2 3.9Å; Y88-F96 AromaticContact CZ-CD2 3.86Å; D92-F96 PolarHBondContact O-N 2.86Å; E93-F96 WeakPolarHBondContact O-CB 3.48Å; E93-F96 PolarHBondContact O-N 3.01Å; K94-F96 PolarHBondContact O-N 3.49Å; F96-N98 PolarHBondContact O-N 2.84Å; F96-I99 WeakPolarHBondContact O-CB 3.19Å; F96-I99 WeakPolarHBondContact O-CG1 3.46Å; F96-I99 PolarHBondContact O-N 3.37Å; F96-V131 HydrophobicContact CB-CG1 4.24Å; F96-V131 HydrophobicContact CB-CG2 3.68Å; F96-V131 HydrophobicContact CD1-CG1 3.82Å; F96-V131 HydrophobicContact CD1-CG2 4.36Å; F96-V131 HydrophobicContact CD2-CG1 3.92Å; F96-V131 HydrophobicContact CE1-CG1 4.12Å; F96-V131 HydrophobicContact CE2-CG1 4.21Å; F96-V131 HydrophobicContact CG-CG1 3.71Å; F96-V131 HydrophobicContact CG-CG2 4.07Å; F96-V131 HydrophobicContact CZ-CG1 4.3Å; F96-Q135 HydrophobicContact CE1-CB 4.36Å; F96-Q135 HydrophobicContact CZ-CB 4.39Å; F96-A136 HydrophobicContact CD2-CB 4.49Å; F96-A136 HydrophobicContact CE2-CB 3.67Å; F96-A136 HydrophobicContact CZ-CB 4.17Å; F96-L139 HydrophobicContact CD2-CD2 4.49Å; F96-L139 HydrophobicContact CE2-CB 4.47Å; F96-L139 HydrophobicContact CE2-CD2 3.63Å; F96-L139 HydrophobicContact CZ-CB 4.11Å; F96-L139 HydrophobicContact CZ-CD2 3.66Å; F96-L139 HydrophobicContact CZ-CG 4.46Å
97E96.2Very high95.1Very high117 Ų11749.8 Ų49.855%0.54723%0.234SC..Hα-helixtrans-55.4-40.8174.4-69.1174.4171.300111.8E93 K94 I99 Q100E93-E97 WeakPolarHBondContact O-CG 3.43Å; E93-E97 PolarHBondContact O-N 3.46Å; K94-E97 PolarHBondContact O-N 2.86Å; E97-I99 PolarHBondContact O-N 3.37Å; E97-Q100 PolarHBondContact O-N 2.84Å
98N94.7Very high94.8Very high24 Ų2455.7 Ų55.713%0.12826%0.262CS..THydrogen-bonded Turntrans-67.8-14.1179.3-76.5-33.9000114.2D16 K94 F96 Q100 N101 W102D16-N98 PolarHBondContact OD2-ND2 3.31Å; K94-N98 PolarHBondContact O-N 3.12Å; K94-N98 PolarHBondContact O-ND2 3.26Å; F96-N98 PolarHBondContact O-N 2.84Å; N98-Q100 PolarHBondContact O-N 3.31Å; N98-N101 WeakPolarHBondContact O-CB 3.47Å; N98-N101 PolarHBondContact O-N 3.2Å; N98-N101 PolarHBondContact OD1-ND2 2.66Å; N98-W102 PolarHBondContact O-N 3.5Å; N98-W102 VanDerWaalsContact O-N 3.07Å
99I95.2Very high94.5Very high0 Ų058.1 Ų58.10%028%0.275CS..Hα-helixtrans-56.2-34.8174.9-65.8-58.1000111.4L86 Y88 F96 E97 N101 W102 M103 L118 L139L86-I99 HydrophobicContact CB-CD1 4.19Å; L86-I99 HydrophobicContact CD2-CG2 4.15Å; Y88-I99 HydrophobicContact CD1-CG1 4.41Å; F96-I99 WeakPolarHBondContact O-CB 3.19Å; F96-I99 WeakPolarHBondContact O-CG1 3.46Å; F96-I99 PolarHBondContact O-N 3.37Å; E97-I99 PolarHBondContact O-N 3.37Å; I99-N101 VanDerWaalsContact C-N 3.33Å; I99-N101 PolarHBondContact O-N 3.32Å; I99-W102 PolarHBondContact O-N 3.4Å; I99-M103 HydrophobicContact CG2-CE 4.13Å; I99-M103 HydrophobicContact CG2-CG 4.3Å; I99-M103 VanDerWaalsContact O-CG 3.32Å; I99-M103 WeakPolarHBondContact O-CG 3.4Å; I99-M103 PolarHBondContact O-N 2.89Å; I99-L118 HydrophobicContact CD1-CD1 4.11Å; I99-L118 HydrophobicContact CG1-CD1 4.15Å; I99-L118 HydrophobicContact CG2-CD1 3.85Å; I99-L139 HydrophobicContact CB-CD2 4.32Å; I99-L139 HydrophobicContact CG2-CD2 3.94Å
100Q93Very high94.2Very high81 Ų8158.5 Ų58.538%0.37928%0.279SS..Hα-helixtrans-61.7-40.5175.5-70.6-58.7-63.800112.5E97 N98 M103 K104 H143E97-Q100 PolarHBondContact O-N 2.84Å; N98-Q100 PolarHBondContact O-N 3.31Å; Q100-M103 PolarHBondContact O-N 2.78Å; Q100-K104 PolarHBondContact O-N 3.48Å; Q100-H143 PolarHBondContact NE2-CE1 3.04Å
101N92.2Very high93.8Very high97 Ų9761.9 Ų61.952%0.51930%0.303SS..Hα-helixtrans-66.7-40.4176-63.9-38.7000111.2N98 I99 K104 S105N98-N101 WeakPolarHBondContact O-CB 3.47Å; N98-N101 PolarHBondContact O-N 3.2Å; N98-N101 PolarHBondContact OD1-ND2 2.66Å; I99-N101 VanDerWaalsContact C-N 3.33Å; I99-N101 PolarHBondContact O-N 3.32Å; N101-K104 PolarHBondContact O-N 2.94Å; N101-S105 PolarHBondContact O-N 3.32Å
102W92.4Very high93.3Very high29 Ų2966.6 Ų66.611%0.1134%0.344CS..Hα-helixtrans-63.4-42.1174.7-68.5117.3000112.2I14 D16 I73 L86 N98 I99 K104 S105 I106I14-W102 HydrophobicContact CB-CE3 4.24Å; I14-W102 HydrophobicContact CD1-CB 3.88Å; I14-W102 HydrophobicContact CD1-CD2 4.41Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.41Å; I14-W102 HydrophobicContact CG1-CB 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; D16-W102 PolarHBondContact OD1-NE1 2.97Å; I73-W102 HydrophobicContact CD1-CE3 4.34Å; I73-W102 HydrophobicContact CD1-CH2 4.36Å; I73-W102 HydrophobicContact CD1-CZ3 3.64Å; I73-W102 HydrophobicContact CG1-CZ3 4.03Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; N98-W102 PolarHBondContact O-N 3.5Å; N98-W102 VanDerWaalsContact O-N 3.07Å; I99-W102 PolarHBondContact O-N 3.4Å; W102-K104 VanDerWaalsContact C-N 3.34Å; W102-K104 PolarHBondContact O-N 2.9Å; W102-S105 WeakPolarHBondContact O-CB 3.32Å; W102-S105 PolarHBondContact O-N 3.4Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 3.25Å
103M92.4Very high93Very high10 Ų1065.1 Ų65.15%0.04934%0.342CS..Hα-helixtrans-59.2-43.7174.1-73.1-64.9-176.900112.3L86 I99 Q100 I106 K107 H143 I145L86-M103 HydrophobicContact CD1-CE 3.8Å; L86-M103 HydrophobicContact CD1-SD 4.06Å; L86-M103 HydrophobicContact CD2-CE 3.61Å; L86-M103 HydrophobicContact CD2-CG 3.91Å; L86-M103 HydrophobicContact CD2-SD 3.62Å; L86-M103 HydrophobicContact CG-CE 4.27Å; I99-M103 HydrophobicContact CG2-CE 4.13Å; I99-M103 HydrophobicContact CG2-CG 4.3Å; I99-M103 VanDerWaalsContact O-CG 3.32Å; I99-M103 WeakPolarHBondContact O-CG 3.4Å; I99-M103 PolarHBondContact O-N 2.89Å; Q100-M103 PolarHBondContact O-N 2.78Å; M103-I106 PolarHBondContact O-N 3.44Å; M103-I106 HydrophobicContact SD-CD1 4.44Å; M103-K107 PolarHBondContact O-N 3.22Å; M103-H143 HydrophobicContact CE-CB 4.48Å; M103-I145 HydrophobicContact CE-CD1 3.19Å; M103-I145 HydrophobicContact CE-CG1 4.48Å; M103-I145 HydrophobicContact SD-CD1 4.49Å
104K91.7Very high92.9Very high126 Ų12661.1 Ų61.155%0.54833%0.325SS..Hα-helixtrans-60.4-45.7175.2-177.6178.2173.1-178.40111.2Q100 N101 W102 I106 K107 E108Q100-K104 PolarHBondContact O-N 3.48Å; N101-K104 PolarHBondContact O-N 2.94Å; W102-K104 VanDerWaalsContact C-N 3.34Å; W102-K104 PolarHBondContact O-N 2.9Å; K104-I106 VanDerWaalsContact C-N 3.32Å; K104-I106 PolarHBondContact O-N 3.45Å; K104-K107 WeakPolarHBondContact O-CB 3.25Å; K104-K107 PolarHBondContact O-N 2.94Å; K104-K107 VanDerWaalsContact O-N 3.12Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact CG-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.31Å
105S89.6Confident93Very high20 Ų2056.5 Ų56.514%0.1431%0.305CS..Hα-helixtrans-60.3-39.7176.6-171.30000112.5Y78 N101 W102 E108 N109Y78-S105 WeakPolarHBondContact OH-CB 3.35Å; Y78-S105 PolarHBondContact OH-OG 3.19Å; N101-S105 PolarHBondContact O-N 3.32Å; W102-S105 WeakPolarHBondContact O-CB 3.32Å; W102-S105 PolarHBondContact O-N 3.4Å; S105-E108 PolarHBondContact O-N 3.16Å; S105-N109 WeakPolarHBondContact O-CB 3.31Å; S105-N109 PolarHBondContact O-N 3.41Å; S105-N109 VanDerWaalsContact O-N 3.08Å; S105-N109 PolarHBondContact O-ND2 3.05Å; S105-N109 PolarHBondContact OG-ND2 3.24Å
106I92.3Very high93Very high6 Ų659.9 Ų59.93%0.03132%0.318CS..Hα-helixtrans-60.7-47.9173.5-65.7169.1000110.6I14 Y78 I84 L86 W102 M103 K104 E108 N109 A110 V114 R116I14-I106 HydrophobicContact CD1-CD1 3.66Å; I14-I106 HydrophobicContact CD1-CG1 3.68Å; Y78-I106 HydrophobicContact CE1-CG1 3.95Å; I84-I106 HydrophobicContact CB-CD1 4.25Å; I84-I106 HydrophobicContact CD1-CB 4.47Å; I84-I106 HydrophobicContact CD1-CD1 4.38Å; I84-I106 HydrophobicContact CD1-CG1 3.97Å; I84-I106 HydrophobicContact CD1-CG2 3.83Å; I84-I106 HydrophobicContact CG2-CD1 3.64Å; I84-I106 HydrophobicContact CG2-CG1 4.09Å; L86-I106 HydrophobicContact CD1-CD1 3.67Å; L86-I106 HydrophobicContact CD2-CD1 3.78Å; L86-I106 HydrophobicContact CG-CD1 3.85Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 3.25Å; M103-I106 PolarHBondContact O-N 3.44Å; M103-I106 HydrophobicContact SD-CD1 4.44Å; K104-I106 VanDerWaalsContact C-N 3.32Å; K104-I106 PolarHBondContact O-N 3.45Å; I106-E108 PolarHBondContact O-N 2.89Å; I106-N109 PolarHBondContact O-N 3.08Å; I106-A110 HydrophobicContact CG2-CB 3.83Å; I106-A110 VanDerWaalsContact O-CB 3.23Å; I106-A110 WeakPolarHBondContact O-CB 3.05Å; I106-A110 PolarHBondContact O-N 2.69Å; I106-V114 HydrophobicContact CG2-CG1 3.91Å; I106-R116 HydrophobicContact CD1-CG 4.46Å; I106-R116 HydrophobicContact CG2-CG 4.47Å
107K91.7Very high93Very high186 Ų18658.6 Ų58.681%0.80931%0.312SS*.Hα-helixtrans-60.1-35.2-178.3-173.4179.4178.3-178.90112.3M103 K104M103-K107 PolarHBondContact O-N 3.22Å; K104-K107 WeakPolarHBondContact O-CB 3.25Å; K104-K107 PolarHBondContact O-N 2.94Å; K104-K107 VanDerWaalsContact O-N 3.12Å
108E91Very high93.1Very high124 Ų12453 Ų5358%0.57929%0.286SS*.Hα-helixtrans-80.2-30.6-179-70.6169.5176.900113.4K104 S105 I106K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact CG-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.31Å; S105-E108 PolarHBondContact O-N 3.16Å; I106-E108 PolarHBondContact O-N 2.89Å
109N90.8Very high93.3Very high50 Ų5051.9 Ų51.927%0.26728%0.28SS..Hα-helixtrans-120.6-21.8-165.1-60.2-70.2000115.3T75 Y78 S105 I106T75-N109 HydrophobicContact CG2-CB 4.46Å; T75-N109 WeakPolarHBondContact CG2-OD1 3.43Å; Y78-N109 WeakPolarHBondContact CB-O 3.23Å; Y78-N109 HydrophobicContact CD2-CB 3.5Å; Y78-N109 VanDerWaalsContact CD2-CB 3.5Å; Y78-N109 HydrophobicContact CE2-CB 3.98Å; Y78-N109 HydrophobicContact CG-CB 3.78Å; S105-N109 WeakPolarHBondContact O-CB 3.31Å; S105-N109 PolarHBondContact O-N 3.41Å; S105-N109 VanDerWaalsContact O-N 3.08Å; S105-N109 PolarHBondContact O-ND2 3.05Å; S105-N109 PolarHBondContact OG-ND2 3.24Å; I106-N109 PolarHBondContact O-N 3.08Å
110A91.7Very high93.5Very high19 Ų1951.9 Ų51.916%0.15728%0.28CS..SBendtrans-91165.3-178.800000112.3Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.13Å; I84-A110 HydrophobicContact CD1-CB 3.8Å; I106-A110 HydrophobicContact CG2-CB 3.83Å; I106-A110 VanDerWaalsContact O-CB 3.23Å; I106-A110 WeakPolarHBondContact O-CB 3.05Å; I106-A110 PolarHBondContact O-N 2.69Å; A110-V114 HydrophobicContact CB-CB 4.31Å; A110-V114 HydrophobicContact CB-CG1 3.74Å
111S91.2Very high93.8Very high71 Ų7148.1 Ų48.150%0.49726%0.263SS..  trans-66.5140.6172.9-61.90000110.5G113 V114S111-G113 PolarHBondContact O-N 3.33Å; S111-V114 WeakPolarHBondContact O-CB 3.45Å; S111-V114 WeakPolarHBondContact O-CG1 3.43Å; S111-V114 PolarHBondContact O-N 2.98Å
112A88.5Confident94Very high119 Ų11946 Ų4698%0.98325%0.249SC*.THydrogen-bonded Turntrans-55.5-20.1-177.200000114.8
113G90.5Very high94.3Very high27 Ų2745 Ų4528%0.27825%0.247SC..THydrogen-bonded Turntrans-100.613.9177.700000115.2S111 E115 K172S111-G113 PolarHBondContact O-N 3.33Å; G113-E115 PolarHBondContact O-N 2.79Å; G113-K172 VanDerWaalsContact C-NZ 3.29Å; G113-K172 VanDerWaalsContact O-CE 3.28Å; G113-K172 WeakPolarHBondContact O-CE 3.16Å; G113-K172 PolarHBondContact O-NZ 3.08Å
114V95.4Very high94.6Very high14 Ų1447.4 Ų47.49%0.08526%0.26CS..  trans-66.7132.317971.80000110.8A81 I84 I106 A110 S111 R116A81-V114 HydrophobicContact CB-CG2 4.47Å; A81-V114 WeakPolarHBondContact O-CG2 3.36Å; I84-V114 HydrophobicContact CB-CG2 4.48Å; I84-V114 HydrophobicContact CD1-CG1 4.17Å; I84-V114 HydrophobicContact CD1-CG2 3.72Å; I84-V114 HydrophobicContact CG1-CG2 3.67Å; I106-V114 HydrophobicContact CG2-CG1 3.91Å; A110-V114 HydrophobicContact CB-CB 4.31Å; A110-V114 HydrophobicContact CB-CG1 3.74Å; S111-V114 WeakPolarHBondContact O-CB 3.45Å; S111-V114 WeakPolarHBondContact O-CG1 3.43Å; S111-V114 PolarHBondContact O-N 2.98Å; V114-R116 HydrophobicContact CG1-CG 4.36Å
115E97.4Very high94.8Very high39 Ų3944.4 Ų44.418%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-76.2148.9172.3-69.9-52.6131.800110.7M82 G83 I84 G113 L165 D168 I169 K172M82-E115 PolarHBondContact O-N 3.02Å; G83-E115 CarbonylContact C-O 3.55Å; G83-E115 VanDerWaalsContact CA-O 3.25Å; G83-E115 WeakPolarHBondContact CA-O 3.19Å; I84-E115 PolarHBondContact N-O 2.88Å; G113-E115 PolarHBondContact O-N 2.79Å; E115-L165 HydrophobicContact CB-CD1 3.51Å; E115-D168 HydrophobicContact CG-CB 4.08Å; E115-I169 HydrophobicContact CB-CG1 3.79Å; E115-I169 HydrophobicContact CG-CG1 3.73Å; E115-K172 HydrophobicContact CG-CD 4.39Å; E115-K172 WeakPolarHBondContact OE1-CD 3.12Å; E115-K172 WeakPolarHBondContact OE1-CE 3.27Å; E115-K172 IonicContact OE1-NZ 3.01Å; E115-K172 PolarHBondContact OE1-NZ 3.43Å
116R97.3Very high95.2Very high71 Ų7148.5 Ų48.527%0.26827%0.265SS..EExtended strand (participates in β ladder)trans-134.9142.1-172.8-68.1173.8-64.61569.1110.9I84 L86 I106 V114 H143 I145I84-R116 VanDerWaalsContact O-CA 3.3Å; I84-R116 WeakPolarHBondContact O-CA 3.45Å; L86-R116 HydrophobicContact CD1-CB 4.46Å; I106-R116 HydrophobicContact CD1-CG 4.46Å; I106-R116 HydrophobicContact CG2-CG 4.47Å; V114-R116 HydrophobicContact CG1-CG 4.36Å; R116-H143 PolarHBondContact NH2-O 3.23Å; R116-H143 VanDerWaalsContact NH2-O 3.17Å; R116-I145 HydrophobicContact CB-CB 4.42Å; R116-I145 HydrophobicContact CB-CG2 3.61Å
117L98.3Very high95.4Very high0 Ų053.4 Ų53.40%031%0.307CS..EExtended strand (participates in β ladder)trans-137.5133.3179.3-175.163.2000109.9I84 I85 L86 L119 R146 F148 A161 L165I84-L117 PolarHBondContact O-N 2.76Å; I85-L117 CarbonylContact C-O 3.51Å; I85-L117 WeakPolarHBondContact CA-O 3.17Å; I85-L117 HydrophobicContact CG1-CB 4.31Å; I85-L117 HydrophobicContact CG1-CD2 4.4Å; L86-L117 PolarHBondContact N-O 2.85Å; L117-L119 HydrophobicContact CD2-CD2 3.85Å; L117-L119 HydrophobicContact CD2-CG 4.43Å; L117-L119 HydrophobicContact CG-CD2 3.94Å; L117-L119 HydrophobicContact CG-CG 4.43Å; L117-R146 HydrophobicContact CD1-CB 3.65Å; L117-F148 HydrophobicContact CD1-CD2 3.74Å; L117-F148 HydrophobicContact CD1-CE2 3.8Å; L117-F148 HydrophobicContact CD2-CD2 4.48Å; L117-A161 HydrophobicContact CD2-CB 4.04Å; L117-A161 WeakPolarHBondContact CD2-O 3.33Å; L117-L165 HydrophobicContact CB-CD1 4.38Å; L117-L165 HydrophobicContact CB-CD2 4.28Å; L117-L165 HydrophobicContact CD2-CB 4.17Å
118L98.6Very high95.7Very high0 Ų051.1 Ų51.10%030%0.296CS..EExtended strand (participates in β ladder)trans-99.4131.7171.9-177.962.8000110.4L86 Y88 I99 A140 I145 R146 F147 F148L86-L118 HydrophobicContact CB-CD1 4.05Å; L86-L118 CarbonylContact O-C 3.56Å; Y88-L118 HydrophobicContact CD1-CD1 3.99Å; Y88-L118 HydrophobicContact CD1-CG 4.47Å; Y88-L118 HydrophobicContact CE1-CD1 4.31Å; Y88-L118 HydrophobicContact CE1-CD2 4.49Å; Y88-L118 HydrophobicContact CE1-CG 4.3Å; I99-L118 HydrophobicContact CD1-CD1 4.11Å; I99-L118 HydrophobicContact CG1-CD1 4.15Å; I99-L118 HydrophobicContact CG2-CD1 3.85Å; L118-A140 HydrophobicContact CD2-CB 4.2Å; L118-I145 HydrophobicContact CB-CD1 3.83Å; L118-R146 PolarHBondContact N-O 3.21Å; L118-F147 HydrophobicContact CB-CD2 4.23Å; L118-F147 HydrophobicContact CD2-CD2 4.06Å; L118-F147 HydrophobicContact CG-CD2 3.95Å; L118-F147 VanDerWaalsContact O-CA 3.31Å; L118-F147 WeakPolarHBondContact O-CA 3.49Å; L118-F147 WeakPolarHBondContact O-CD2 2.98Å; L118-F148 PolarHBondContact O-N 3.05Å; L118-F148 VanDerWaalsContact O-N 3.1Å
119L98.7Very high96.1Very high0 Ų046.9 Ų46.90%028%0.275CS..EExtended strand (participates in β ladder)trans-121.8125.9174.7-57.2-175.9000111.6L24 I85 L86 V87 Y88 L117 F148 T150 A161L24-L119 HydrophobicContact CD1-CD1 4.13Å; I85-L119 HydrophobicContact CG2-CD1 3.35Å; I85-L119 HydrophobicContact CG2-CG 3.66Å; L86-L119 PolarHBondContact O-N 2.82Å; V87-L119 WeakPolarHBondContact CA-O 3.47Å; V87-L119 HydrophobicContact CG2-CB 4.43Å; V87-L119 HydrophobicContact CG2-CD1 4.48Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 2.98Å; L117-L119 HydrophobicContact CD2-CD2 3.85Å; L117-L119 HydrophobicContact CD2-CG 4.43Å; L117-L119 HydrophobicContact CG-CD2 3.94Å; L117-L119 HydrophobicContact CG-CG 4.43Å; L119-F148 VanDerWaalsContact CA-O 3.31Å; L119-F148 WeakPolarHBondContact CA-O 3.49Å; L119-F148 HydrophobicContact CD2-CB 3.83Å; L119-F148 HydrophobicContact CD2-CD2 4.31Å; L119-T150 HydrophobicContact CD1-CG2 4.25Å; L119-T150 HydrophobicContact CD2-CG2 3.88Å; L119-T150 HydrophobicContact CG-CG2 4.45Å; L119-A161 HydrophobicContact CD1-CB 4.36Å; L119-A161 HydrophobicContact CD2-CB 3.7Å
120G98.8Very high96.5Very high0 Ų050.5 Ų50.50%029%0.289CS..EExtended strand (participates in β ladder)trans-93.297.1165.100000109.8F148 E149 T150G120-F148 PolarHBondContact N-O 3.12Å; G120-E149 CarbonylContact O-C 3.56Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.27Å; G120-T150 PolarHBondContact O-N 3.08Å
121N98.7Very high96.8Very high3 Ų349.7 Ų49.72%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-84.2163.3-175.5-16733.6000112.3V19 L24 V87 Y88 I90 T150 A152V19-N121 PolarHBondContact O-ND2 2.8Å; L24-N121 HydrophobicContact CD1-CB 4.24Å; V87-N121 HydrophobicContact CG1-CB 3.88Å; Y88-N121 PolarHBondContact O-N 2.78Å; I90-N121 WeakPolarHBondContact CG1-O 3.25Å; I90-N121 PolarHBondContact N-O 3.01Å; N121-T150 CarbonylContact C-O 3.46Å; N121-T150 VanDerWaalsContact CA-O 3.25Å; N121-T150 WeakPolarHBondContact CA-O 3.36Å; N121-T150 PolarHBondContact OD1-O 3Å; N121-T150 VanDerWaalsContact OD1-O 3.11Å; N121-T150 PolarHBondContact OD1-OG1 2.86Å; N121-A152 PolarHBondContact OD1-N 2.84Å
122K98.1Very high97.1Very high51 Ų5150.8 Ų50.822%0.22228%0.279CS..  trans68.632.3179.8-44.6-170.1-165.8167.90114.1G18 D89 I90 D124 M125 T150G18-K122 WeakPolarHBondContact O-CE 3.41Å; G18-K122 PolarHBondContact O-NZ 3.07Å; D89-K122 VanDerWaalsContact OD2-CD 3.29Å; D89-K122 WeakPolarHBondContact OD2-CD 3.22Å; D89-K122 WeakPolarHBondContact OD2-CE 3.32Å; D89-K122 IonicContact OD2-NZ 2.8Å; D89-K122 PolarHBondContact OD2-NZ 3.23Å; I90-K122 WeakPolarHBondContact CD1-O 3.16Å; I90-K122 WeakPolarHBondContact CG1-O 3.27Å; K122-D124 PolarHBondContact O-N 2.88Å; K122-D124 VanDerWaalsContact O-N 3.09Å; K122-M125 HydrophobicContact CB-CG 4.33Å; K122-M125 HydrophobicContact CB-SD 4.15Å; K122-M125 HydrophobicContact CD-SD 4.06Å; K122-M125 WeakPolarHBondContact O-CB 3.38Å; K122-M125 PolarHBondContact O-N 3.03Å; K122-T150 PolarHBondContact N-O 3.03Å
123C98.1Very high97.5Very high10 Ų1050.3 Ų50.37%0.06826%0.255CS..G310 helixtrans-65.1-6.9174.254.10000114.7I90 M125 E149 T150 M156I90-C123 HydrophobicContact CD1-CB 4.28Å; C123-M125 PolarHBondContact O-N 3.27Å; C123-E149 HydrophobicContact CB-CB 3.98Å; C123-T150 PolarHBondContact N-O 3.46Å; C123-T150 PolarHBondContact SG-O 3.39Å; C123-M156 HydrophobicContact CB-CE 4.1Å; C123-M156 WeakPolarHBondContact SG-CE 3.43Å
124D97.9Very high97.9Very high60 Ų6055 Ų5532%0.32127%0.269SS..G310 helixtrans-68.6-14.816459.2-78.9000113.5K122 E126 S151 K153K122-D124 PolarHBondContact O-N 2.88Å; K122-D124 VanDerWaalsContact O-N 3.09Å; D124-E126 PolarHBondContact O-N 3.09Å; D124-S151 WeakPolarHBondContact CB-OG 3.21Å; D124-S151 VanDerWaalsContact CG-OG 3.26Å; D124-S151 VanDerWaalsContact OD1-CB 3.31Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.04Å; D124-K153 VanDerWaalsContact OD2-CD 3.23Å; D124-K153 WeakPolarHBondContact OD2-CD 3.44Å
125M96.9Very high98Very high62 Ų6258.7 Ų58.731%0.30529%0.286SS..G310 helixtrans-98.541.6-178.8-58-175.261.300112.5T91 K122 C123 A127 K128 R129T91-M125 HydrophobicContact CG2-CB 3.69Å; T91-M125 HydrophobicContact CG2-CE 4.44Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; K122-M125 HydrophobicContact CB-CG 4.33Å; K122-M125 HydrophobicContact CB-SD 4.15Å; K122-M125 HydrophobicContact CD-SD 4.06Å; K122-M125 WeakPolarHBondContact O-CB 3.38Å; K122-M125 PolarHBondContact O-N 3.03Å; C123-M125 PolarHBondContact O-N 3.27Å; M125-A127 VanDerWaalsContact C-N 3.25Å; M125-A127 PolarHBondContact O-N 3.11Å; M125-A127 VanDerWaalsContact O-N 3.15Å; M125-K128 HydrophobicContact CE-CD 3.7Å; M125-K128 PolarHBondContact O-N 3.36Å; M125-R129 PolarHBondContact O-N 2.85Å
126E96.8Very high98Very high107 Ų10756.8 Ų56.850%0.528%0.277SS..G310 helixtrans-52.3-39.7-174.3-168.558.3-144.200113.5D124 K128 R129D124-E126 PolarHBondContact O-N 3.09Å; E126-K128 PolarHBondContact O-N 3.26Å; E126-R129 VanDerWaalsContact CD-NE 3.25Å; E126-R129 VanDerWaalsContact O-CB 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.32Å; E126-R129 PolarHBondContact O-N 2.99Å; E126-R129 WeakPolarHBondContact OE1-CD 3.23Å; E126-R129 IonicContact OE1-CZ 3.84Å; E126-R129 IonicContact OE1-NE 3.23Å; E126-R129 PolarHBondContact OE1-NE 2.83Å; E126-R129 IonicContact OE1-NH2 3.72Å; E126-R129 IonicContact OE2-CZ 2.76Å; E126-R129 VanDerWaalsContact OE2-CZ 3.31Å; E126-R129 IonicContact OE2-NE 2.65Å; E126-R129 PolarHBondContact OE2-NE 3.33Å; E126-R129 IonicContact OE2-NH2 3.74Å; E126-R129 PolarHBondContact OE2-NH2 2.9Å
127A97.9Very high98Very high109 Ų10956.3 Ų56.390%0.90128%0.279SS*.G310 helixtrans-62.5-14.7177.600000114.6M125M125-A127 VanDerWaalsContact C-N 3.25Å; M125-A127 PolarHBondContact O-N 3.11Å; M125-A127 VanDerWaalsContact O-N 3.15Å
128K97.9Very high98Very high137 Ų13762.1 Ų62.160%0.59631%0.305SS*.G310 helixtrans-114.110.1178-62.3-175.9-177.2179.80112.4T91 M125 E126 K130T91-K128 WeakPolarHBondContact CA-O 3.4Å; T91-K128 WeakPolarHBondContact CB-O 3.47Å; T91-K128 HydrophobicContact CG2-CB 3.82Å; M125-K128 HydrophobicContact CE-CD 3.7Å; M125-K128 PolarHBondContact O-N 3.36Å; E126-K128 PolarHBondContact O-N 3.26Å; K128-K130 PolarHBondContact O-N 3.49Å
129R98.5Very high97.9Very high36 Ų3663 Ų6314%0.13631%0.309CS..  trans-56.8130.3179.9179179.1-68.7-86.66.9110.4I90 M125 E126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.2Å; I90-R129 HydrophobicContact CD1-CG 4.31Å; M125-R129 PolarHBondContact O-N 2.85Å; E126-R129 VanDerWaalsContact CD-NE 3.25Å; E126-R129 VanDerWaalsContact O-CB 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.32Å; E126-R129 PolarHBondContact O-N 2.99Å; E126-R129 WeakPolarHBondContact OE1-CD 3.23Å; E126-R129 IonicContact OE1-CZ 3.84Å; E126-R129 IonicContact OE1-NE 3.23Å; E126-R129 PolarHBondContact OE1-NE 2.83Å; E126-R129 IonicContact OE1-NH2 3.72Å; E126-R129 IonicContact OE2-CZ 2.76Å; E126-R129 VanDerWaalsContact OE2-CZ 3.31Å; E126-R129 IonicContact OE2-NE 2.65Å; E126-R129 PolarHBondContact OE2-NE 3.33Å; E126-R129 IonicContact OE2-NH2 3.74Å; E126-R129 PolarHBondContact OE2-NH2 2.9Å; R129-V131 WeakPolarHBondContact CD-O 3.46Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.44Å; R129-V131 PolarHBondContact NH1-O 2.82Å; R129-E149 IonicContact CZ-OE1 2.79Å; R129-E149 IonicContact CZ-OE2 2.85Å; R129-E149 IonicContact NH1-OE1 3.02Å; R129-E149 PolarHBondContact NH1-OE1 3.3Å; R129-E149 IonicContact NH1-OE2 2.59Å; R129-E149 IonicContact NH2-OE1 3.31Å; R129-E149 PolarHBondContact NH2-OE1 3.39Å; R129-E149 IonicContact NH2-OE2 2.66Å; R129-E149 PolarHBondContact NH2-OE2 2.82Å
130K98.5Very high97.9Very high126 Ų12663.1 Ų63.155%0.54831%0.31SS..  trans-115.2-24.8171.3-61.1-169.9-171.5169.70112.5I90 T91 E93 K128I90-K130 PolarHBondContact O-N 3.4Å; T91-K130 WeakPolarHBondContact O-CD 3.26Å; T91-K130 VanDerWaalsContact O-CE 3.25Å; T91-K130 WeakPolarHBondContact O-CE 3.49Å; T91-K130 WeakPolarHBondContact O-CG 3.37Å; E93-K130 HydrophobicContact CB-CB 4.31Å; K128-K130 PolarHBondContact O-N 3.49Å
131V98.3Very high97.8Very high1 Ų171.2 Ų71.21%0.00634%0.341CS..SBendtrans-106.1118.6179-175.30000109.5Y88 I90 E93 F96 R129Y88-V131 HydrophobicContact CD2-CG2 4.4Å; Y88-V131 HydrophobicContact CE2-CB 3.88Å; Y88-V131 HydrophobicContact CE2-CG1 3.74Å; Y88-V131 HydrophobicContact CE2-CG2 4.1Å; I90-V131 PolarHBondContact O-N 2.9Å; E93-V131 HydrophobicContact CB-CG2 4.49Å; F96-V131 HydrophobicContact CB-CG1 4.24Å; F96-V131 HydrophobicContact CB-CG2 3.68Å; F96-V131 HydrophobicContact CD1-CG1 3.82Å; F96-V131 HydrophobicContact CD1-CG2 4.36Å; F96-V131 HydrophobicContact CD2-CG1 3.92Å; F96-V131 HydrophobicContact CE1-CG1 4.12Å; F96-V131 HydrophobicContact CE2-CG1 4.21Å; F96-V131 HydrophobicContact CG-CG1 3.71Å; F96-V131 HydrophobicContact CG-CG2 4.07Å; F96-V131 HydrophobicContact CZ-CG1 4.3Å; R129-V131 WeakPolarHBondContact CD-O 3.46Å; R129-V131 VanDerWaalsContact CG-O 3.22Å; R129-V131 WeakPolarHBondContact CG-O 3.44Å; R129-V131 PolarHBondContact NH1-O 2.82Å
132Q98Very high97.7Very high95 Ų9576.9 Ų76.944%0.44437%0.367SS..  trans-72.4143.3176.5-58.9-56.6-35.800110.4E134 Q135 A136Q132-E134 PolarHBondContact O-N 2.57Å; Q132-Q135 HydrophobicContact CB-CG 4.19Å; Q132-Q135 WeakPolarHBondContact O-CB 3.43Å; Q132-Q135 PolarHBondContact O-N 3.44Å; Q132-Q135 VanDerWaalsContact O-N 3.08Å; Q132-A136 PolarHBondContact O-N 3.44Å
133K97.6Very high97.5Very high108 Ų10876.8 Ų76.847%0.4737%0.367SS..Hα-helixtrans-58.9-36.1-177.3-172.5178178.31790111.5Q135 A136 D137 F147 E149K133-Q135 VanDerWaalsContact C-N 3.33Å; K133-Q135 PolarHBondContact O-N 2.98Å; K133-A136 PolarHBondContact O-N 3.14Å; K133-D137 WeakPolarHBondContact O-CB 3.37Å; K133-D137 PolarHBondContact O-N 3.01Å; K133-F147 HydrophobicContact CG-CE1 3.81Å; K133-F147 HydrophobicContact CG-CZ 4.36Å; K133-E149 HydrophobicContact CG-CG 4.33Å
134E97.8Very high97.3Very high126 Ų12679.5 Ų79.559%0.58940%0.397SS*.Hα-helixtrans-65.3-34.8179.8-6368.2-148.500112Q132 K138Q132-E134 PolarHBondContact O-N 2.57Å; E134-K138 VanDerWaalsContact O-CB 3.27Å; E134-K138 WeakPolarHBondContact O-CB 3.15Å; E134-K138 PolarHBondContact O-N 2.81Å
135Q97.4Very high97.2Very high91 Ų9177.6 Ų77.643%0.42539%0.387SS..Hα-helixtrans-66.8-44.7176.9-66.1172-68.400110.6F96 Q132 K133 K138 L139F96-Q135 HydrophobicContact CE1-CB 4.36Å; F96-Q135 HydrophobicContact CZ-CB 4.39Å; Q132-Q135 HydrophobicContact CB-CG 4.19Å; Q132-Q135 WeakPolarHBondContact O-CB 3.43Å; Q132-Q135 PolarHBondContact O-N 3.44Å; Q132-Q135 VanDerWaalsContact O-N 3.08Å; K133-Q135 VanDerWaalsContact C-N 3.33Å; K133-Q135 PolarHBondContact O-N 2.98Å; Q135-K138 PolarHBondContact O-N 2.94Å; Q135-L139 PolarHBondContact O-N 2.92Å
136A97.7Very high97.2Very high0 Ų078.2 Ų78.20%039%0.386CS..Hα-helixtrans-69.9-39178.500000112.8Y88 F96 Q132 K133 L139 A140 F147Y88-A136 HydrophobicContact CE1-CB 4.08Å; Y88-A136 WeakPolarHBondContact OH-CB 3.44Å; F96-A136 HydrophobicContact CD2-CB 4.49Å; F96-A136 HydrophobicContact CE2-CB 3.67Å; F96-A136 HydrophobicContact CZ-CB 4.17Å; Q132-A136 PolarHBondContact O-N 3.44Å; K133-A136 PolarHBondContact O-N 3.14Å; A136-L139 WeakPolarHBondContact O-CB 3.34Å; A136-L139 PolarHBondContact O-N 3.45Å; A136-A140 WeakPolarHBondContact O-CB 3.29Å; A136-A140 PolarHBondContact O-N 3.38Å; A136-F147 HydrophobicContact CB-CD2 4.35Å; A136-F147 HydrophobicContact CB-CE1 3.92Å; A136-F147 HydrophobicContact CB-CE2 3.72Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å
137D97.8Very high97.3Very high60 Ų6074.5 Ų74.532%0.32137%0.368SS..Hα-helixtrans-62.9-43173.8178.879.9000111.9K133 L139 A140 R141 F147K133-D137 WeakPolarHBondContact O-CB 3.37Å; K133-D137 PolarHBondContact O-N 3.01Å; D137-L139 PolarHBondContact O-N 3.22Å; D137-A140 PolarHBondContact O-N 3.37Å; D137-R141 WeakPolarHBondContact O-CG 3.25Å; D137-R141 PolarHBondContact O-N 3.36Å; D137-R141 IonicContact OD2-CZ 2.91Å; D137-R141 IonicContact OD2-NE 3.41Å; D137-R141 PolarHBondContact OD2-NE 3.02Å; D137-R141 IonicContact OD2-NH2 3.38Å; D137-R141 PolarHBondContact OD2-NH2 3.2Å; D137-F147 HydrophobicContact CB-CD1 4.02Å; D137-F147 HydrophobicContact CB-CE1 4.32Å
138K98Very high97.4Very high122 Ų12271.3 Ų71.353%0.5333%0.334SS..Hα-helixtrans-58.4-48.1173.1-176.5-175.9176.7-167.10111.1E134 Q135 A140 R141 E142E134-K138 VanDerWaalsContact O-CB 3.27Å; E134-K138 WeakPolarHBondContact O-CB 3.15Å; E134-K138 PolarHBondContact O-N 2.81Å; Q135-K138 PolarHBondContact O-N 2.94Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.89Å; K138-R141 PolarHBondContact O-N 3.05Å; K138-E142 WeakPolarHBondContact CE-OE1 3.24Å; K138-E142 IonicContact NZ-OE1 3.75Å; K138-E142 WeakPolarHBondContact O-CG 2.94Å; K138-E142 PolarHBondContact O-N 3.34Å
139L97.1Very high97.4Very high19 Ų1965.7 Ų65.710%0.09931%0.309CS..Hα-helixtrans-59.2-42.9178.8-166.867.6000112.3F96 I99 Q135 A136 D137 E142 H143F96-L139 HydrophobicContact CD2-CD2 4.49Å; F96-L139 HydrophobicContact CE2-CB 4.47Å; F96-L139 HydrophobicContact CE2-CD2 3.63Å; F96-L139 HydrophobicContact CZ-CB 4.11Å; F96-L139 HydrophobicContact CZ-CD2 3.66Å; F96-L139 HydrophobicContact CZ-CG 4.46Å; I99-L139 HydrophobicContact CB-CD2 4.32Å; I99-L139 HydrophobicContact CG2-CD2 3.94Å; Q135-L139 PolarHBondContact O-N 2.92Å; A136-L139 WeakPolarHBondContact O-CB 3.34Å; A136-L139 PolarHBondContact O-N 3.45Å; D137-L139 PolarHBondContact O-N 3.22Å; L139-E142 PolarHBondContact O-N 3.38Å; L139-H143 PolarHBondContact O-N 3.43Å; L139-H143 PolarHBondContact O-ND1 2.84Å
140A97.7Very high97.4Very high2 Ų264 Ų642%0.01730%0.303CS..Hα-helixtrans-64.4-43.1178.200000111.8L118 A136 D137 K138 H143 G144 I145 F147L118-A140 HydrophobicContact CD2-CB 4.2Å; A136-A140 WeakPolarHBondContact O-CB 3.29Å; A136-A140 PolarHBondContact O-N 3.38Å; D137-A140 PolarHBondContact O-N 3.37Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.89Å; A140-H143 CarbonylContact O-C 3.58Å; A140-H143 PolarHBondContact O-N 3.06Å; A140-G144 PolarHBondContact O-N 3.3Å; A140-I145 CarbonylContact C-O 3.59Å; A140-I145 HydrophobicContact CB-CG1 4.01Å; A140-I145 PolarHBondContact O-N 2.96Å; A140-F147 HydrophobicContact CB-CB 3.64Å
141R96.9Very high97.4Very high171 Ų17158 Ų5865%0.64528%0.277SS*.Hα-helixtrans-61.2-44.4174.6-76.8-172.7-78.3173.8-6112.5D137 K138 H143 G144D137-R141 WeakPolarHBondContact O-CG 3.25Å; D137-R141 PolarHBondContact O-N 3.36Å; D137-R141 IonicContact OD2-CZ 2.91Å; D137-R141 IonicContact OD2-NE 3.41Å; D137-R141 PolarHBondContact OD2-NE 3.02Å; D137-R141 IonicContact OD2-NH2 3.38Å; D137-R141 PolarHBondContact OD2-NH2 3.2Å; K138-R141 PolarHBondContact O-N 3.05Å; R141-H143 PolarHBondContact O-N 2.82Å; R141-G144 PolarHBondContact O-N 3.27Å; R141-G144 VanDerWaalsContact O-N 3.08Å
142E96.2Very high97.4Very high122 Ų12258 Ų5857%0.5728%0.278SS*.Hα-helixtrans-58.8-31176.3-73.3172.1176.100112.6K138 L139K138-E142 WeakPolarHBondContact CE-OE1 3.24Å; K138-E142 IonicContact NZ-OE1 3.75Å; K138-E142 WeakPolarHBondContact O-CG 2.94Å; K138-E142 PolarHBondContact O-N 3.34Å; L139-E142 PolarHBondContact O-N 3.38Å
143H94Very high97.3Very high48 Ų4859 Ų5922%0.22228%0.28CS..Hα-helixtrans-95-2.9179.1-70.273.7000114.1Q100 M103 R116 L139 A140 R141 I145Q100-H143 PolarHBondContact NE2-CE1 3.04Å; M103-H143 HydrophobicContact CE-CB 4.48Å; R116-H143 PolarHBondContact NH2-O 3.23Å; R116-H143 VanDerWaalsContact NH2-O 3.17Å; L139-H143 PolarHBondContact O-N 3.43Å; L139-H143 PolarHBondContact O-ND1 2.84Å; A140-H143 CarbonylContact O-C 3.58Å; A140-H143 PolarHBondContact O-N 3.06Å; R141-H143 PolarHBondContact O-N 2.82Å; H143-I145 HydrophobicContact CB-CD1 4.43Å; H143-I145 HydrophobicContact CB-CG1 4.18Å; H143-I145 HydrophobicContact CB-CG2 4.49Å
144G95Very high97.3Very high67 Ų6756.8 Ų56.869%0.69128%0.279SS*.THydrogen-bonded Turntrans63.839.1-177.600000113.3A140 R141A140-G144 PolarHBondContact O-N 3.3Å; R141-G144 PolarHBondContact O-N 3.27Å; R141-G144 VanDerWaalsContact O-N 3.08Å
145I96.2Very high97.2Very high21 Ų2153.6 Ų53.611%0.10827%0.27CS..  trans-124.9159.6-178.964.8171.5000111M103 R116 L118 A140 H143M103-I145 HydrophobicContact CE-CD1 3.19Å; M103-I145 HydrophobicContact CE-CG1 4.48Å; M103-I145 HydrophobicContact SD-CD1 4.49Å; R116-I145 HydrophobicContact CB-CB 4.42Å; R116-I145 HydrophobicContact CB-CG2 3.61Å; L118-I145 HydrophobicContact CB-CD1 3.83Å; A140-I145 CarbonylContact C-O 3.59Å; A140-I145 HydrophobicContact CB-CG1 4.01Å; A140-I145 PolarHBondContact O-N 2.96Å; H143-I145 HydrophobicContact CB-CD1 4.43Å; H143-I145 HydrophobicContact CB-CG1 4.18Å; H143-I145 HydrophobicContact CB-CG2 4.49Å
146R96.9Very high97.3Very high75 Ų7553.3 Ų53.328%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-77.3158.1173.3-70.1-172.9-60.3-151.1-4.8111.7L117 L118 F148 S164 D168L117-R146 HydrophobicContact CD1-CB 3.65Å; L118-R146 PolarHBondContact N-O 3.21Å; R146-F148 HydrophobicContact CB-CE2 4.36Å; R146-S164 PolarHBondContact NH2-O 3.1Å; R146-D168 IonicContact CZ-OD1 3.74Å; R146-D168 IonicContact CZ-OD2 3.21Å; R146-D168 IonicContact NE-OD2 2.71Å; R146-D168 PolarHBondContact NE-OD2 3.29Å; R146-D168 IonicContact NH1-OD1 2.71Å; R146-D168 PolarHBondContact NH1-OD1 2.74Å; R146-D168 IonicContact NH1-OD2 3.1Å; R146-D168 PolarHBondContact NH1-OD2 3.39Å; R146-D168 IonicContact NH2-OD1 3.03Å; R146-D168 PolarHBondContact NH2-OD1 2.87Å; R146-D168 IonicContact NH2-OD2 2.71Å; R146-D168 PolarHBondContact NH2-OD2 3.38Å
147F98.4Very high97.3Very high29 Ų2956.6 Ų56.613%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-135.2136.5178.3168.6-122.2000111Y88 L118 K133 A136 D137 A140 E149Y88-F147 HydrophobicContact CE1-CE2 4.05Å; L118-F147 HydrophobicContact CB-CD2 4.23Å; L118-F147 HydrophobicContact CD2-CD2 4.06Å; L118-F147 HydrophobicContact CG-CD2 3.95Å; L118-F147 VanDerWaalsContact O-CA 3.31Å; L118-F147 WeakPolarHBondContact O-CA 3.49Å; L118-F147 WeakPolarHBondContact O-CD2 2.98Å; K133-F147 HydrophobicContact CG-CE1 3.81Å; K133-F147 HydrophobicContact CG-CZ 4.36Å; A136-F147 HydrophobicContact CB-CD2 4.35Å; A136-F147 HydrophobicContact CB-CE1 3.92Å; A136-F147 HydrophobicContact CB-CE2 3.72Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å; D137-F147 HydrophobicContact CB-CD1 4.02Å; D137-F147 HydrophobicContact CB-CE1 4.32Å; A140-F147 HydrophobicContact CB-CB 3.64Å; F147-E149 HydrophobicContact CE1-CG 4.18Å; F147-E149 HydrophobicContact CE2-CG 4.22Å; F147-E149 HydrophobicContact CZ-CG 3.52Å
148F98.6Very high97.3Very high41 Ų4153.9 Ų53.918%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-132.7144.7167.8-62.7-97.4000109.6L117 L118 L119 G120 R146 T150 E160 A161 S164L117-F148 HydrophobicContact CD1-CD2 3.74Å; L117-F148 HydrophobicContact CD1-CE2 3.8Å; L117-F148 HydrophobicContact CD2-CD2 4.48Å; L118-F148 PolarHBondContact O-N 3.05Å; L118-F148 VanDerWaalsContact O-N 3.1Å; L119-F148 VanDerWaalsContact CA-O 3.31Å; L119-F148 WeakPolarHBondContact CA-O 3.49Å; L119-F148 HydrophobicContact CD2-CB 3.83Å; L119-F148 HydrophobicContact CD2-CD2 4.31Å; G120-F148 PolarHBondContact N-O 3.12Å; R146-F148 HydrophobicContact CB-CE2 4.36Å; F148-T150 HydrophobicContact CB-CG2 4.24Å; F148-E160 HydrophobicContact CE1-CG 3.93Å; F148-E160 HydrophobicContact CZ-CG 4.37Å; F148-A161 HydrophobicContact CD2-CB 4.26Å; F148-A161 HydrophobicContact CG-CB 4.37Å; F148-S164 WeakPolarHBondContact CE2-OG 3.38Å
149E98.7Very high97.3Very high19 Ų1951.4 Ų51.49%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-88.3134158.1-66.5-164154.300109.2G120 C123 R129 K133 F147 N157G120-E149 CarbonylContact O-C 3.56Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.27Å; C123-E149 HydrophobicContact CB-CB 3.98Å; R129-E149 IonicContact CZ-OE1 2.79Å; R129-E149 IonicContact CZ-OE2 2.85Å; R129-E149 IonicContact NH1-OE1 3.02Å; R129-E149 PolarHBondContact NH1-OE1 3.3Å; R129-E149 IonicContact NH1-OE2 2.59Å; R129-E149 IonicContact NH2-OE1 3.31Å; R129-E149 PolarHBondContact NH2-OE1 3.39Å; R129-E149 IonicContact NH2-OE2 2.66Å; R129-E149 PolarHBondContact NH2-OE2 2.82Å; K133-E149 HydrophobicContact CG-CG 4.33Å; F147-E149 HydrophobicContact CE1-CG 4.18Å; F147-E149 HydrophobicContact CE2-CG 4.22Å; F147-E149 HydrophobicContact CZ-CG 3.52Å; E149-N157 VanDerWaalsContact O-CB 3.32Å; E149-N157 WeakPolarHBondContact O-CB 3.38Å; E149-N157 PolarHBondContact O-ND2 3.33Å
150T98.7Very high97.3Very high0 Ų054.7 Ų54.70%028%0.281CS..EExtended strand (participates in β ladder)trans-128.7154-174.860.30000111.7L119 G120 N121 K122 C123 F148 M156 N157 A161L119-T150 HydrophobicContact CD1-CG2 4.25Å; L119-T150 HydrophobicContact CD2-CG2 3.88Å; L119-T150 HydrophobicContact CG-CG2 4.45Å; G120-T150 PolarHBondContact O-N 3.08Å; N121-T150 CarbonylContact C-O 3.46Å; N121-T150 VanDerWaalsContact CA-O 3.25Å; N121-T150 WeakPolarHBondContact CA-O 3.36Å; N121-T150 PolarHBondContact OD1-O 3Å; N121-T150 VanDerWaalsContact OD1-O 3.11Å; N121-T150 PolarHBondContact OD1-OG1 2.86Å; K122-T150 PolarHBondContact N-O 3.03Å; C123-T150 PolarHBondContact N-O 3.46Å; C123-T150 PolarHBondContact SG-O 3.39Å; F148-T150 HydrophobicContact CB-CG2 4.24Å; T150-M156 VanDerWaalsContact CA-O 3.32Å; T150-M156 WeakPolarHBondContact CA-O 3.39Å; T150-N157 HydrophobicContact CG2-CB 4.06Å; T150-A161 HydrophobicContact CG2-CB 4.24Å
151S98.4Very high97.4Very high0 Ų054.6 Ų54.60%028%0.28CS..  trans-131108168.7170.80000108.7D124 K153 S154 S155 M156D124-S151 WeakPolarHBondContact CB-OG 3.21Å; D124-S151 VanDerWaalsContact CG-OG 3.26Å; D124-S151 VanDerWaalsContact OD1-CB 3.31Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.04Å; S151-K153 PolarHBondContact O-N 3.46Å; S151-K153 PolarHBondContact OG-N 2.88Å; S151-S154 WeakPolarHBondContact CB-OG 3.48Å; S151-S154 PolarHBondContact O-N 3.05Å; S151-S154 PolarHBondContact OG-N 3.02Å; S151-S154 PolarHBondContact OG-OG 3.34Å; S151-S155 CarbonylContact O-C 3.34Å; S151-S155 VanDerWaalsContact O-CA 3.23Å; S151-S155 WeakPolarHBondContact O-CA 3.43Å; S151-S155 PolarHBondContact O-N 2.97Å; S151-M156 PolarHBondContact N-O 2.88Å; S151-M156 PolarHBondContact O-N 2.86Å
152A97.6Very high97.4Very high3 Ų346.5 Ų46.53%0.02525%0.249CC..THydrogen-bonded Turntrans-58.3-31.7171.200000111.9C23 L24 R27 F33 N121C23-A152 HydrophobicContact CB-CB 3.64Å; L24-A152 HydrophobicContact CD2-CB 4.02Å; L24-A152 HydrophobicContact CG-CB 4.23Å; R27-A152 PolarHBondContact NE-O 3.15Å; F33-A152 HydrophobicContact CD2-CB 4.08Å; F33-A152 WeakPolarHBondContact CD2-O 2.91Å; F33-A152 HydrophobicContact CE2-CB 4.06Å; N121-A152 PolarHBondContact OD1-N 2.84Å
153K97.1Very high97.4Very high114 Ų11441.3 Ų41.350%0.49623%0.226SC..THydrogen-bonded Turntrans-66.8-53.6179.8-176.4-178.5-176.5-176.40112R27 F33 D124 S151R27-K153 PolarHBondContact NH2-O 2.81Å; F33-K153 HydrophobicContact CD1-CB 4.26Å; F33-K153 HydrophobicContact CD1-CG 4.09Å; F33-K153 HydrophobicContact CD2-CB 4.48Å; F33-K153 HydrophobicContact CE1-CB 3.77Å; F33-K153 HydrophobicContact CE1-CD 4.35Å; F33-K153 HydrophobicContact CE1-CG 3.61Å; F33-K153 HydrophobicContact CE2-CB 4.05Å; F33-K153 HydrophobicContact CZ-CB 3.67Å; F33-K153 HydrophobicContact CZ-CG 4.01Å; D124-K153 VanDerWaalsContact OD2-CD 3.23Å; D124-K153 WeakPolarHBondContact OD2-CD 3.44Å; S151-K153 PolarHBondContact O-N 3.46Å; S151-K153 PolarHBondContact OG-N 2.88Å
154S96.6Very high97.6Very high63 Ų6339 Ų3944%0.44122%0.216SC..THydrogen-bonded Turntrans-94.45.3-176.264.80000114.2S151 M156S151-S154 WeakPolarHBondContact CB-OG 3.48Å; S151-S154 PolarHBondContact O-N 3.05Å; S151-S154 PolarHBondContact OG-N 3.02Å; S151-S154 PolarHBondContact OG-OG 3.34Å; S154-M156 PolarHBondContact O-N 2.99Å; S154-M156 VanDerWaalsContact O-N 3.08Å
155S97.2Very high97.7Very high58 Ų5835.9 Ų35.941%0.40618%0.183SC..  trans60.72.1-172.776.30000116.4S151 N157 V158S151-S155 CarbonylContact O-C 3.34Å; S151-S155 VanDerWaalsContact O-CA 3.23Å; S151-S155 WeakPolarHBondContact O-CA 3.43Å; S151-S155 PolarHBondContact O-N 2.97Å; S155-N157 PolarHBondContact O-N 3.39Å; S155-V158 PolarHBondContact O-N 3.23Å
156M98.4Very high97.8Very high85 Ų8534.9 Ų34.942%0.41918%0.178SC..THydrogen-bonded Turntrans-55.9126-177.5-171.5168.470.100112.1C123 T150 S151 S154 V158C123-M156 HydrophobicContact CB-CE 4.1Å; C123-M156 WeakPolarHBondContact SG-CE 3.43Å; T150-M156 VanDerWaalsContact CA-O 3.32Å; T150-M156 WeakPolarHBondContact CA-O 3.39Å; S151-M156 PolarHBondContact N-O 2.88Å; S151-M156 PolarHBondContact O-N 2.86Å; S154-M156 PolarHBondContact O-N 2.99Å; S154-M156 VanDerWaalsContact O-N 3.08Å; M156-V158 PolarHBondContact O-N 2.7Å
157N98.2Very high97.8Very high70 Ų7034.6 Ų34.637%0.37418%0.177SC..THydrogen-bonded Turntrans56.48.5179.8-62.5-30.5000116.2E149 T150 S155 A161E149-N157 VanDerWaalsContact O-CB 3.32Å; E149-N157 WeakPolarHBondContact O-CB 3.38Å; E149-N157 PolarHBondContact O-ND2 3.33Å; T150-N157 HydrophobicContact CG2-CB 4.06Å; S155-N157 PolarHBondContact O-N 3.39Å; N157-A161 WeakPolarHBondContact O-CB 3.04Å; N157-A161 PolarHBondContact O-N 3.47Å
158V98.4Very high97.7Very high3 Ų335 Ų352%0.01818%0.18CC..Hα-helixtrans-66.9-53.4-177.6179.60000110.6L24 R27 F28 S155 M156 E160 A161 F162L24-V158 HydrophobicContact CD2-CG1 4.39Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å; R27-V158 HydrophobicContact CB-CG1 4.3Å; R27-V158 HydrophobicContact CG-CB 4.1Å; R27-V158 HydrophobicContact CG-CG1 3.92Å; R27-V158 HydrophobicContact CG-CG2 3.97Å; F28-V158 HydrophobicContact CB-CG1 3.89Å; S155-V158 PolarHBondContact O-N 3.23Å; M156-V158 PolarHBondContact O-N 2.7Å; V158-E160 PolarHBondContact O-N 2.94Å; V158-A161 PolarHBondContact O-N 2.57Å; V158-F162 HydrophobicContact CG1-CD2 4.26Å; V158-F162 HydrophobicContact CG1-CE2 4.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.25Å; V158-F162 PolarHBondContact O-N 3.17Å
159D97.3Very high97.6Very high69 Ų6933.3 Ų33.337%0.36917%0.173SC..Hα-helixtrans-62.3-46.6-180-16490000111.9R48 A161 F162 S163R48-D159 IonicContact CZ-OD1 2.82Å; R48-D159 VanDerWaalsContact CZ-OD1 3.23Å; R48-D159 IonicContact NH1-OD1 3.98Å; R48-D159 PolarHBondContact NH1-OD1 2.66Å; R48-D159 IonicContact NH2-OD1 2.66Å; R48-D159 PolarHBondContact NH2-OD1 2.9Å; D159-A161 VanDerWaalsContact C-N 3.33Å; D159-A161 PolarHBondContact O-N 3.39Å; D159-F162 PolarHBondContact O-N 2.83Å; D159-S163 VanDerWaalsContact O-CB 3.25Å; D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 2.8Å; D159-S163 PolarHBondContact O-OG 3.31Å; D159-S163 VanDerWaalsContact O-OG 3.1Å; D159-S163 PolarHBondContact OD2-OG 2.93Å
160E97.5Very high97.5Very high89 Ų8933.3 Ų33.342%0.41617%0.174SC..Hα-helixtrans-60.6-40.9-179.6-175.355.3-147.900112.2F148 V158 S164F148-E160 HydrophobicContact CE1-CG 3.93Å; F148-E160 HydrophobicContact CZ-CG 4.37Å; V158-E160 PolarHBondContact O-N 2.94Å; E160-S164 WeakPolarHBondContact O-CB 3.4Å; E160-S164 PolarHBondContact O-N 3.23Å; E160-S164 PolarHBondContact O-OG 3.36Å
161A98.4Very high97.3Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-58.6-52.4176.700000111.7L117 L119 F148 T150 N157 V158 D159 S164 L165L117-A161 HydrophobicContact CD2-CB 4.04Å; L117-A161 WeakPolarHBondContact CD2-O 3.33Å; L119-A161 HydrophobicContact CD1-CB 4.36Å; L119-A161 HydrophobicContact CD2-CB 3.7Å; F148-A161 HydrophobicContact CD2-CB 4.26Å; F148-A161 HydrophobicContact CG-CB 4.37Å; T150-A161 HydrophobicContact CG2-CB 4.24Å; N157-A161 WeakPolarHBondContact O-CB 3.04Å; N157-A161 PolarHBondContact O-N 3.47Å; V158-A161 PolarHBondContact O-N 2.57Å; D159-A161 VanDerWaalsContact C-N 3.33Å; D159-A161 PolarHBondContact O-N 3.39Å; A161-S164 PolarHBondContact O-N 3.35Å; A161-S164 PolarHBondContact O-OG 2.96Å; A161-L165 PolarHBondContact O-N 3.06Å
162F98.1Very high96.9Very high1 Ų142.1 Ų42.10%0.00422%0.217CC..Hα-helixtrans-66.7-43.4-179.7-82-92.3000112.5L11 L13 L24 I25 F28 V61 I85 V158 D159 L165 A166L11-F162 HydrophobicContact CD1-CD1 4.04Å; L13-F162 HydrophobicContact CD1-CE1 4Å; L13-F162 HydrophobicContact CD1-CZ 4.09Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å; L24-F162 HydrophobicContact CB-CE2 4.49Å; I25-F162 HydrophobicContact CG1-CZ 4.48Å; F28-F162 HydrophobicContact CB-CD2 3.93Å; F28-F162 HydrophobicContact CB-CE2 3.85Å; F28-F162 HydrophobicContact CB-CG 4.39Å; F28-F162 HydrophobicContact CB-CZ 4.27Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 AromaticContact CD1-CD1 3.89Å; F28-F162 HydrophobicContact CD1-CD1 3.89Å; F28-F162 HydrophobicContact CD1-CD2 4.36Å; F28-F162 HydrophobicContact CD1-CE1 4.19Å; F28-F162 AromaticContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD2-CB 3.56Å; F28-F162 HydrophobicContact CD2-CD1 4.38Å; F28-F162 AromaticContact CD2-CD2 3.71Å; F28-F162 HydrophobicContact CD2-CD2 3.71Å; F28-F162 HydrophobicContact CD2-CE2 4.48Å; F28-F162 AromaticContact CD2-CG 3.64Å; F28-F162 HydrophobicContact CD2-CG 3.64Å; F28-F162 HydrophobicContact CE1-CB 4.18Å; F28-F162 HydrophobicContact CE1-CD1 4.01Å; F28-F162 HydrophobicContact CE1-CG 4.15Å; F28-F162 HydrophobicContact CE2-CB 3.29Å; F28-F162 HydrophobicContact CE2-CD2 4.36Å; F28-F162 AromaticContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CE2-CG 3.85Å; F28-F162 HydrophobicContact CG-CB 4.13Å; F28-F162 HydrophobicContact CG-CD1 4.09Å; F28-F162 AromaticContact CG-CD2 3.72Å; F28-F162 HydrophobicContact CG-CD2 3.72Å; F28-F162 HydrophobicContact CG-CE1 4.42Å; F28-F162 HydrophobicContact CG-CE2 4.08Å; F28-F162 AromaticContact CG-CG 3.72Å; F28-F162 HydrophobicContact CG-CG 3.72Å; F28-F162 HydrophobicContact CG-CZ 4.41Å; F28-F162 HydrophobicContact CZ-CB 3.64Å; F28-F162 HydrophobicContact CZ-CD1 4.33Å; F28-F162 HydrophobicContact CZ-CG 4.1Å; V61-F162 HydrophobicContact CG1-CE1 3.65Å; V61-F162 HydrophobicContact CG1-CZ 4.29Å; V61-F162 HydrophobicContact CG2-CD1 4.39Å; V61-F162 HydrophobicContact CG2-CE1 4.12Å; I85-F162 HydrophobicContact CD1-CD1 3.72Å; I85-F162 HydrophobicContact CD1-CE1 3.47Å; I85-F162 VanDerWaalsContact CD1-CE1 3.47Å; I85-F162 HydrophobicContact CD1-CE2 4.42Å; I85-F162 HydrophobicContact CD1-CG 4.29Å; I85-F162 HydrophobicContact CD1-CZ 3.88Å; V158-F162 HydrophobicContact CG1-CD2 4.26Å; V158-F162 HydrophobicContact CG1-CE2 4.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.25Å; V158-F162 PolarHBondContact O-N 3.17Å; D159-F162 PolarHBondContact O-N 2.83Å; F162-L165 PolarHBondContact O-N 3.07Å; F162-A166 WeakPolarHBondContact O-CB 3.16Å; F162-A166 PolarHBondContact O-N 2.83Å
163S97Very high96.4Very high12 Ų1244 Ų448%0.08423%0.23CC..Hα-helixtrans-64.2-39.3178.2-68.30000111.6I52 D159 A166 R167I52-S163 WeakPolarHBondContact CD1-O 3.36Å; D159-S163 VanDerWaalsContact O-CB 3.25Å; D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 2.8Å; D159-S163 PolarHBondContact O-OG 3.31Å; D159-S163 VanDerWaalsContact O-OG 3.1Å; D159-S163 PolarHBondContact OD2-OG 2.93Å; S163-A166 PolarHBondContact O-N 3.24Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 PolarHBondContact O-N 3.39Å
164S97.4Very high95.3Very high1 Ų140.7 Ų40.71%0.00723%0.228CC..Hα-helixtrans-61.3-48.2175.576.90000111.2R146 F148 E160 A161 A166 R167 D168R146-S164 PolarHBondContact NH2-O 3.1Å; F148-S164 WeakPolarHBondContact CE2-OG 3.38Å; E160-S164 WeakPolarHBondContact O-CB 3.4Å; E160-S164 PolarHBondContact O-N 3.23Å; E160-S164 PolarHBondContact O-OG 3.36Å; A161-S164 PolarHBondContact O-N 3.35Å; A161-S164 PolarHBondContact O-OG 2.96Å; S164-A166 VanDerWaalsContact C-N 3.33Å; S164-A166 PolarHBondContact O-N 3.31Å; S164-R167 WeakPolarHBondContact O-CB 3.39Å; S164-R167 PolarHBondContact O-N 3.39Å; S164-R167 VanDerWaalsContact O-N 3.13Å; S164-D168 PolarHBondContact O-N 3.07Å
165L97.9Very high93.5Very high0 Ų040.4 Ų40.40%024%0.235CC..Hα-helixtrans-62.4-42.8179.4179.860.1000111.3L11 I85 E115 L117 A161 F162 R167 D168 I169L11-L165 HydrophobicContact CD1-CD2 4.45Å; L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.32Å; I85-L165 HydrophobicContact CD1-CD2 3.94Å; I85-L165 HydrophobicContact CG1-CD2 3.38Å; E115-L165 HydrophobicContact CB-CD1 3.51Å; L117-L165 HydrophobicContact CB-CD1 4.38Å; L117-L165 HydrophobicContact CB-CD2 4.28Å; L117-L165 HydrophobicContact CD2-CB 4.17Å; A161-L165 PolarHBondContact O-N 3.06Å; F162-L165 PolarHBondContact O-N 3.07Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 3.45Å; L165-D168 PolarHBondContact O-N 3.49Å; L165-I169 HydrophobicContact CD1-CD1 4.46Å; L165-I169 HydrophobicContact CG-CD1 4.15Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 3.23Å; L165-I169 VanDerWaalsContact O-N 3.1Å
166A97.5Very high91.4Very high0 Ų046.9 Ų46.90%025%0.25CS..Hα-helixtrans-61.6-37.4175.500000112.1F9 I52 L59 F162 S163 S164 I169 L170F9-A166 HydrophobicContact CD2-CB 4.42Å; F9-A166 WeakPolarHBondContact CE2-O 3.49Å; I52-A166 HydrophobicContact CD1-CB 3.36Å; L59-A166 HydrophobicContact CD1-CB 4.25Å; L59-A166 HydrophobicContact CD2-CB 3.87Å; F162-A166 WeakPolarHBondContact O-CB 3.16Å; F162-A166 PolarHBondContact O-N 2.83Å; S163-A166 PolarHBondContact O-N 3.24Å; S164-A166 VanDerWaalsContact C-N 3.33Å; S164-A166 PolarHBondContact O-N 3.31Å; A166-I169 PolarHBondContact O-N 2.66Å; A166-L170 WeakPolarHBondContact O-CB 3.14Å; A166-L170 PolarHBondContact O-N 3.07Å
167R96.9Very high89.2Confident69 Ų6953.3 Ų53.326%0.2627%0.27SS..Hα-helixtrans-62.3-44.4173.6-170.9-177.2-66.4105.40.4112.2I52 E53 S163 S164 L165 I169 L170 L171I52-R167 HydrophobicContact CG2-CB 3.9Å; I52-R167 HydrophobicContact CG2-CG 4.07Å; E53-R167 IonicContact OE1-NE 2.74Å; E53-R167 PolarHBondContact OE1-NE 2.65Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 PolarHBondContact O-N 3.39Å; S164-R167 WeakPolarHBondContact O-CB 3.39Å; S164-R167 PolarHBondContact O-N 3.39Å; S164-R167 VanDerWaalsContact O-N 3.13Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 3.45Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 3.28Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 2.98Å; R167-L170 VanDerWaalsContact O-N 3.16Å; R167-L171 HydrophobicContact CG-CD1 4.2Å; R167-L171 HydrophobicContact CG-CG 4.45Å; R167-L171 WeakPolarHBondContact O-CG 3.42Å; R167-L171 PolarHBondContact O-N 3.2Å
168D96Very high86.6Confident38 Ų3855.8 Ų55.820%0.20329%0.293CS..Hα-helixtrans-62.6-42.5178.2-75.212.5000111.9E115 R146 S164 L165 L170 L171 K172E115-D168 HydrophobicContact CG-CB 4.08Å; R146-D168 IonicContact CZ-OD1 3.74Å; R146-D168 IonicContact CZ-OD2 3.21Å; R146-D168 IonicContact NE-OD2 2.71Å; R146-D168 PolarHBondContact NE-OD2 3.29Å; R146-D168 IonicContact NH1-OD1 2.71Å; R146-D168 PolarHBondContact NH1-OD1 2.74Å; R146-D168 IonicContact NH1-OD2 3.1Å; R146-D168 PolarHBondContact NH1-OD2 3.39Å; R146-D168 IonicContact NH2-OD1 3.03Å; R146-D168 PolarHBondContact NH2-OD1 2.87Å; R146-D168 IonicContact NH2-OD2 2.71Å; R146-D168 PolarHBondContact NH2-OD2 3.38Å; S164-D168 PolarHBondContact O-N 3.07Å; L165-D168 PolarHBondContact O-N 3.49Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 2.68Å; D168-L171 PolarHBondContact O-N 3.15Å; D168-K172 WeakPolarHBondContact O-CB 3.17Å; D168-K172 PolarHBondContact O-N 3.17Å
169I96.9Very high83.6Confident5 Ų558.5 Ų58.53%0.02632%0.322CS..Hα-helixtrans-61.2-41.8175.9-63.7166.2000110.4F9 L11 M82 E115 L165 A166 R167 S173F9-I169 HydrophobicContact CD1-CG2 3.82Å; F9-I169 HydrophobicContact CD2-CB 3.99Å; F9-I169 HydrophobicContact CD2-CD1 4.35Å; F9-I169 HydrophobicContact CD2-CG2 3.68Å; F9-I169 HydrophobicContact CE1-CG2 3.75Å; F9-I169 HydrophobicContact CE2-CB 3.85Å; F9-I169 HydrophobicContact CE2-CG2 3.61Å; F9-I169 HydrophobicContact CG-CG2 3.81Å; F9-I169 HydrophobicContact CZ-CB 4.31Å; F9-I169 HydrophobicContact CZ-CG2 3.67Å; L11-I169 HydrophobicContact CD2-CD1 3.47Å; L11-I169 VanDerWaalsContact CD2-CD1 3.47Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.49Å; M82-I169 HydrophobicContact CB-CG2 3.91Å; M82-I169 HydrophobicContact CE-CG2 3.6Å; E115-I169 HydrophobicContact CB-CG1 3.79Å; E115-I169 HydrophobicContact CG-CG1 3.73Å; L165-I169 HydrophobicContact CD1-CD1 4.46Å; L165-I169 HydrophobicContact CG-CD1 4.15Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.37Å; L165-I169 PolarHBondContact O-N 3.23Å; L165-I169 VanDerWaalsContact O-N 3.1Å; A166-I169 PolarHBondContact O-N 2.66Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 3.28Å; I169-S173 VanDerWaalsContact O-CB 3.31Å; I169-S173 WeakPolarHBondContact O-CB 3.07Å; I169-S173 PolarHBondContact O-N 3.05Å; I169-S173 PolarHBondContact O-OG 2.8Å
170L95.9Very high80.8Confident19 Ų1962.6 Ų62.610%0.09934%0.343CS..Hα-helixtrans-62.6-50.2177.1-176.469.8000111.3F9 I52 E53 K55 I57 A166 R167 D168 K172 S173 G174F9-L170 HydrophobicContact CE2-CB 4.22Å; F9-L170 HydrophobicContact CZ-CB 4.21Å; F9-L170 HydrophobicContact CZ-CD1 4.22Å; I52-L170 HydrophobicContact CG2-CD2 4.08Å; E53-L170 HydrophobicContact CB-CD2 3.96Å; E53-L170 HydrophobicContact CG-CD2 4.06Å; K55-L170 HydrophobicContact CG-CD2 4.46Å; I57-L170 HydrophobicContact CD1-CB 4.21Å; I57-L170 HydrophobicContact CD1-CD1 4.14Å; I57-L170 HydrophobicContact CD1-CD2 4.1Å; I57-L170 HydrophobicContact CD1-CG 4.37Å; A166-L170 WeakPolarHBondContact O-CB 3.14Å; A166-L170 PolarHBondContact O-N 3.07Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 2.98Å; R167-L170 VanDerWaalsContact O-N 3.16Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 2.68Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.3Å; L170-S173 WeakPolarHBondContact O-CB 3.15Å; L170-S173 PolarHBondContact O-N 3.27Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L170-G174 PolarHBondContact O-N 3.3Å
171L93.8Very high77.8Confident109 Ų10961.9 Ų61.957%0.57136%0.36SS*.Hα-helixtrans-59.6-44180-70173.5000111.6R167 D168 S173 G174 G175R167-L171 HydrophobicContact CG-CD1 4.2Å; R167-L171 HydrophobicContact CG-CG 4.45Å; R167-L171 WeakPolarHBondContact O-CG 3.42Å; R167-L171 PolarHBondContact O-N 3.2Å; D168-L171 PolarHBondContact O-N 3.15Å; L171-S173 VanDerWaalsContact C-N 3.33Å; L171-S173 PolarHBondContact O-N 3.29Å; L171-G174 PolarHBondContact O-N 3.13Å; L171-G175 PolarHBondContact O-N 3.28Å
172K91.6Very high74.9Confident77 Ų7769 Ų6934%0.33540%0.398SS..Hα-helixtrans-65.3-35.4176.1-172.9165.9-172.5173.30113.2G113 E115 D168 L170G113-K172 VanDerWaalsContact C-NZ 3.29Å; G113-K172 VanDerWaalsContact O-CE 3.28Å; G113-K172 WeakPolarHBondContact O-CE 3.16Å; G113-K172 PolarHBondContact O-NZ 3.08Å; E115-K172 HydrophobicContact CG-CD 4.39Å; E115-K172 WeakPolarHBondContact OE1-CD 3.12Å; E115-K172 WeakPolarHBondContact OE1-CE 3.27Å; E115-K172 IonicContact OE1-NZ 3.01Å; E115-K172 PolarHBondContact OE1-NZ 3.43Å; D168-K172 WeakPolarHBondContact O-CB 3.17Å; D168-K172 PolarHBondContact O-N 3.17Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.3Å
173S85.9Confident72.2Confident42 Ų4278.6 Ų78.629%0.29444%0.44SS..Hα-helixtrans-70.6-33.2176.3-60.20000112.1I169 L170 L171I169-S173 VanDerWaalsContact O-CB 3.31Å; I169-S173 WeakPolarHBondContact O-CB 3.07Å; I169-S173 PolarHBondContact O-N 3.05Å; I169-S173 PolarHBondContact O-OG 2.8Å; L170-S173 WeakPolarHBondContact O-CB 3.15Å; L170-S173 PolarHBondContact O-N 3.27Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L171-S173 VanDerWaalsContact C-N 3.33Å; L171-S173 PolarHBondContact O-N 3.29Å
174G74.4Confident69.7Low44 Ų4483.6 Ų83.645%0.45447%0.472SS..Hα-helixtrans-71.9-39.317500000113.5L170 L171 R176 R177L170-G174 PolarHBondContact O-N 3.3Å; L171-G174 PolarHBondContact O-N 3.13Å; G174-R176 PolarHBondContact O-N 3.26Å; G174-R177 PolarHBondContact O-N 3.31Å; G174-R177 VanDerWaalsContact O-N 3.15Å
175G58.7Low66.9Low57 Ų5789 Ų8959%0.58851%0.507SS*.Hα-helixtrans-63.5-24.5-179.200000114.8L171 R177L171-G175 PolarHBondContact O-N 3.28Å; G175-R177 VanDerWaalsContact C-N 3.26Å; G175-R177 PolarHBondContact O-N 3.46Å
176R54.3Low64Low194 Ų19494.2 Ų94.273%0.73254%0.543SS*.THydrogen-bonded Turntrans-75.2-7.9176.6-76.3-175.2178.1171.2-0.6114.5G174G174-R176 PolarHBondContact O-N 3.26Å
177R50.2Low61.4Low220 Ų220100 Ų10083%0.8358%0.579SS**THydrogen-bonded Turntrans-95.11.8-177.4-75.9-173.2173.3-178.7-1.2115.3G174 G175G174-R177 PolarHBondContact O-N 3.31Å; G174-R177 VanDerWaalsContact O-N 3.15Å; G175-R177 VanDerWaalsContact C-N 3.26Å; G175-R177 PolarHBondContact O-N 3.46Å
178S44.8Very low58.6Low122 Ų122103.9 Ų103.985%0.85361%0.605SS**SBendtrans-105.217.7-180-66.80000115.2
179G35.7Very low55.9Low61 Ų61109.8 Ų109.863%0.62964%0.636SS**SBendtrans-142.8126.717600000112.2
180N38.3Very low53.1Low155 Ų155119 Ų11983%0.82968%0.676SS**  trans77.193.9-179.1-91.213.5000118.3N182N180-N182 PolarHBondContact O-N 2.74Å
181G33.6Very low50.2Low74 Ų74124.2 Ų124.276%0.76371%0.708SS**  trans-60.4115.5141.900000109.8
182N38.4Very low47.6Very low150 Ų150125.3 Ų125.380%0.80272%0.723SS**  trans-155114.4147.7-109-11.7000107.8N180N180-N182 PolarHBondContact O-N 2.74Å
183K41Very low45Very low201 Ų201128.7 Ų128.787%0.87475%0.745SS**PPolyproline II helixtrans-55.4133.8174.6-78174.6172.4176.60109.4
184P44.1Very low43.1Very low117 Ų117136.7 Ų136.776%0.7678%0.775SS**PPolyproline II helixtrans-72144.5159.222.3-15.1000109.1
185P39.1Very low41.5Very low116 Ų116144.1 Ų144.175%0.75380%0.795SS**PPolyproline II helixtrans-67135.8179.127.2-30.6000110.2T187P185-T187 PolarHBondContact O-N 2.63Å
186S37.7Very low40.6Very low108 Ų108148.7 Ų148.776%0.75581%0.805SS**PPolyproline II helixtrans-60.8117.3169.450.10000110
187T41.7Very low40Very low123 Ų123144.8 Ų144.876%0.75580%0.804SS**  trans-107.7108.2159.745.60000108.3P185 L189P185-T187 PolarHBondContact O-N 2.63Å; T187-L189 PolarHBondContact O-N 3.08Å
188D38.7Very low40Very low149 Ų149141.9 Ų141.980%0.79780%0.804SS**  trans-52.2118.7169.3-71.7-62.8000111.2
189L38.1Very low39.8Very low163 Ų163145.8 Ų145.885%0.85381%0.806SS**  trans-98.5104.1154.1-105.286.9000107.8T187 T191T187-L189 PolarHBondContact O-N 3.08Å; L189-T191 PolarHBondContact O-N 3.24Å
190K39.7Very low39.9Very low199 Ų199149 Ų14987%0.86582%0.818SS**  trans-57.8120.7168.1-79178.7173.91770110.1
191T34Very low39.9Very low128 Ų128146.6 Ų146.679%0.78581%0.813SS**  trans-65.9126157.1230000109.5L189L189-T191 PolarHBondContact O-N 3.24Å
192C39Very low40.3Very low131 Ų131151.8 Ų151.889%0.88582%0.822SS**  trans-107.895.3162.9-96.50000108.2
193D37.1Very low40.7Very low149 Ų149152 Ų15280%0.79786%0.859SS**  trans-79.9117.4159.2-86.8-54.7000108.7
194K46.7Very low40.7Very low210 Ų210149.5 Ų149.591%0.91386%0.859SS**  trans-134.298.2154.7-88.3-170.9178.2177.70109.2N196K194-N196 PolarHBondContact O-N 3.18Å
195K39.7Very low40.5Very low200 Ų200151.2 Ų151.287%0.8786%0.864SS**  trans-58.7125.8153-73175.9176.6175.50108
196N41Very low40.6Very low152 Ų152153.2 Ų153.281%0.81387%0.87SS**  trans-147.6117.7140.4-1496.7000110K194K194-N196 PolarHBondContact O-N 3.18Å
197T41.8Very low40.8Very low113 Ų113155.8 Ų155.869%0.69388%0.877SS**  trans-62.9140169.645.60000109.8
198N49.2Very low40.7Very low159 Ų159157.9 Ų157.985%0.8588%0.884SS**  trans-165.5127133.1-91.8-21.7000111.3
199K40.2Very low40.8Very low204 Ų204158.5 Ų158.589%0.88789%0.89SS**  trans-57.9145.7166.1-81.7171.6166.6176.70110.3
200C38.9Very low41Very low129 Ų129158.1 Ų158.187%0.87289%0.893SS**  trans-156.1117.5137.2-119.80000110.1
201S38.6Very low41.1Very low104 Ų104155 Ų15573%0.72790%0.895SS**  trans-97.8135.2160.343.10000107.4
202L41.1Very low41.7Very low182 Ų182157.3 Ų157.395%0.95390%0.904SS**  trans179.3125.5154.4-97145.6000108.6
203G47.5Very low42Very low154 Ų154159.6 Ų159.6100%1.58891%0.906SS**  trans139.90178.300000111.7

Retrieved 203 of 203 residues in 61.7 ms (Link to these results)