A0A024R7Q5_HUMAN Loading...

Testis-specific serine/threonine-protein kinase 6

Serine/threonine-protein kinase component of the sperm flagellar doublet microtubules. May act as a regulator of sperm motility by mediating phosphorylation of sperm doublet microtubule proteins. Plays a role in DNA condensation during postmeiotic chromatin remodeling and histone-to-protamine transition during spermatogenesis.

AlphaFold DB (Q9BXA6), UniProt , Accession A0A024R7Q5, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 273 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
1M52.6Low84.5Confident149 Ų14969.5 Ų69.573%0.73438%0.379SS*.  0137.40-110.6-174.8-78.500109.5K5M1-K5 HydrophobicContact CG-CD 4.28Å; M1-K5 HydrophobicContact SD-CD 4.42Å
2S73.6Confident85.5Confident79 Ų7964.1 Ų64.155%0.55235%0.349SS*.  trans-65.7146.1170.272.70000109D4 K5 L6S2-D4 PolarHBondContact O-N 3.29Å; S2-K5 PolarHBondContact O-N 3.15Å; S2-L6 PolarHBondContact O-N 2.86Å
3G78.8Confident86.3Confident5 Ų571.2 Ų71.25%0.05237%0.374CS..Hα-helixtrans-57.9-36.7-177.700000113.4K5 L6 L7 Y87G3-K5 PolarHBondContact O-N 3.05Å; G3-L6 PolarHBondContact O-N 3.03Å; G3-L7 WeakPolarHBondContact O-CG 3.49Å; G3-L7 PolarHBondContact O-N 3.13Å; G3-Y87 WeakPolarHBondContact CA-OH 3.49Å
4D81.6Confident86.9Confident91 Ų9168.6 Ų68.649%0.48736%0.361SS..Hα-helixtrans-66.3-36.2-179.6-65.112000112.3S2 L7 S8S2-D4 PolarHBondContact O-N 3.29Å; D4-L7 PolarHBondContact O-N 3.17Å; D4-S8 WeakPolarHBondContact O-CB 3.43Å; D4-S8 PolarHBondContact O-N 3.5Å
5K85.6Confident87.4Confident120 Ų12066.7 Ų66.752%0.52236%0.364SS..Hα-helixtrans-65.6-46.3176.1-172.1176.9176.7-1770111M1 S2 G3 L7 S8 E9M1-K5 HydrophobicContact CG-CD 4.28Å; M1-K5 HydrophobicContact SD-CD 4.42Å; S2-K5 PolarHBondContact O-N 3.15Å; G3-K5 PolarHBondContact O-N 3.05Å; K5-L7 PolarHBondContact O-N 3.34Å; K5-S8 WeakPolarHBondContact O-CB 3.18Å; K5-S8 PolarHBondContact O-N 3.43Å; K5-E9 VanDerWaalsContact CE-OE1 3.25Å; K5-E9 WeakPolarHBondContact CE-OE1 3.45Å; K5-E9 WeakPolarHBondContact O-CG 3.12Å; K5-E9 PolarHBondContact O-N 2.86Å
6L90.5Very high87.9Confident37 Ų3774.2 Ų74.219%0.19439%0.385CS..Hα-helixtrans-60.1-46.1175.9176.567.3000111.4S2 G3 S8 E9 L10 I79 V81S2-L6 PolarHBondContact O-N 2.86Å; G3-L6 PolarHBondContact O-N 3.03Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 2.81Å; L6-E9 PolarHBondContact O-N 2.89Å; L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.35Å; L6-L10 HydrophobicContact CG-CD1 4.02Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.31Å; L6-I79 HydrophobicContact CD2-CG2 4.2Å; L6-V81 HydrophobicContact CD2-CB 4.26Å; L6-V81 HydrophobicContact CD2-CG1 3.76Å; L6-V81 HydrophobicContact CD2-CG2 3.53Å
7L92.6Very high88.2Confident1 Ų173.4 Ų73.41%0.00539%0.385CS..Hα-helixtrans-59.1-42.3177-76.9177.8000111.7G3 D4 K5 L10 G11 Y12 L14 I79 Y87G3-L7 WeakPolarHBondContact O-CG 3.49Å; G3-L7 PolarHBondContact O-N 3.13Å; D4-L7 PolarHBondContact O-N 3.17Å; K5-L7 PolarHBondContact O-N 3.34Å; L7-L10 CarbonylContact O-C 3.31Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-G11 PolarHBondContact O-N 2.79Å; L7-G11 VanDerWaalsContact O-N 3.13Å; L7-Y12 CarbonylContact C-O 3.54Å; L7-Y12 VanDerWaalsContact C-O 3.31Å; L7-Y12 HydrophobicContact CD2-CD2 4.14Å; L7-Y12 WeakPolarHBondContact O-CA 3.45Å; L7-Y12 WeakPolarHBondContact O-CB 3.37Å; L7-Y12 PolarHBondContact O-N 3.21Å; L7-L14 HydrophobicContact CD1-CD1 3.59Å; L7-L14 HydrophobicContact CD1-CD2 3.92Å; L7-L14 HydrophobicContact CD1-CG 3.73Å; L7-I79 HydrophobicContact CD2-CD1 3.94Å; L7-Y87 HydrophobicContact CD1-CD1 3.65Å; L7-Y87 HydrophobicContact CD1-CE1 3.55Å; L7-Y87 HydrophobicContact CD1-CG 4.4Å; L7-Y87 HydrophobicContact CD2-CD1 4.19Å; L7-Y87 HydrophobicContact CD2-CG 4.17Å; L7-Y87 HydrophobicContact CG-CD1 4.28Å; L7-Y87 HydrophobicContact CG-CE1 4.3Å
8S92Very high88.4Confident80 Ų8073.8 Ų73.856%0.55939%0.386SS*.Hα-helixtrans-61.6-42.4175.9-1750000112.3D4 K5 L6 L10 G11 Y12D4-S8 WeakPolarHBondContact O-CB 3.43Å; D4-S8 PolarHBondContact O-N 3.5Å; K5-S8 WeakPolarHBondContact O-CB 3.18Å; K5-S8 PolarHBondContact O-N 3.43Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 2.81Å; S8-L10 VanDerWaalsContact C-N 3.32Å; S8-L10 PolarHBondContact O-N 2.94Å; S8-G11 PolarHBondContact O-N 3.23Å; S8-Y12 VanDerWaalsContact CA-O 3.3Å; S8-Y12 WeakPolarHBondContact CA-O 3.3Å; S8-Y12 PolarHBondContact N-O 3.23Å
9E92.8Very high88.3Confident116 Ų11671.4 Ų71.454%0.54238%0.381SS..Hα-helixtrans-63.3-37.3175-72.8169.6-172.200111.9K5 L6 G11K5-E9 VanDerWaalsContact CE-OE1 3.25Å; K5-E9 WeakPolarHBondContact CE-OE1 3.45Å; K5-E9 WeakPolarHBondContact O-CG 3.12Å; K5-E9 PolarHBondContact O-N 2.86Å; L6-E9 PolarHBondContact O-N 2.89Å; E9-G11 PolarHBondContact O-N 2.98Å
10L94.4Very high88.3Confident74 Ų7474.5 Ų74.539%0.38739%0.393SS..THydrogen-bonded Turntrans-761.6172.9-64.4174000113.5L6 L7 S8 Y12 I79L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.35Å; L6-L10 HydrophobicContact CG-CD1 4.02Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.31Å; L7-L10 CarbonylContact O-C 3.31Å; L7-L10 PolarHBondContact O-N 3.26Å; S8-L10 VanDerWaalsContact C-N 3.32Å; S8-L10 PolarHBondContact O-N 2.94Å; L10-Y12 HydrophobicContact CB-CD2 3.91Å; L10-Y12 HydrophobicContact CB-CE2 4.02Å; L10-I79 HydrophobicContact CD1-CD1 3.78Å; L10-I79 HydrophobicContact CD1-CG1 4.22Å; L10-I79 HydrophobicContact CD1-CG2 3.84Å
11G95.1Very high88.1Confident13 Ų1372.8 Ų72.813%0.13439%0.394CS..THydrogen-bonded Turntrans86.219.1175.500000115.1L7 S8 E9 K32L7-G11 PolarHBondContact O-N 2.79Å; L7-G11 VanDerWaalsContact O-N 3.13Å; S8-G11 PolarHBondContact O-N 3.23Å; E9-G11 PolarHBondContact O-N 2.98Å; G11-K32 PolarHBondContact O-N 2.94Å
12Y96.7Very high89.6Confident4 Ų470.7 Ų70.72%0.01639%0.394CS..EExtended strand (participates in β ladder)trans-105.1128.5173.9-58.9-76.7000112L7 S8 L10 T30 S31 Y34 V38 I40 E77 I79 V89L7-Y12 CarbonylContact C-O 3.54Å; L7-Y12 VanDerWaalsContact C-O 3.31Å; L7-Y12 HydrophobicContact CD2-CD2 4.14Å; L7-Y12 WeakPolarHBondContact O-CA 3.45Å; L7-Y12 WeakPolarHBondContact O-CB 3.37Å; L7-Y12 PolarHBondContact O-N 3.21Å; S8-Y12 VanDerWaalsContact CA-O 3.3Å; S8-Y12 WeakPolarHBondContact CA-O 3.3Å; S8-Y12 PolarHBondContact N-O 3.23Å; L10-Y12 HydrophobicContact CB-CD2 3.91Å; L10-Y12 HydrophobicContact CB-CE2 4.02Å; Y12-T30 WeakPolarHBondContact CA-O 3.36Å; Y12-S31 WeakPolarHBondContact CE1-OG 3.42Å; Y12-Y34 HydrophobicContact CE1-CD2 4.14Å; Y12-Y34 HydrophobicContact CE1-CE2 4.32Å; Y12-Y34 WeakPolarHBondContact OH-CE2 3.33Å; Y12-V38 HydrophobicContact CD1-CG2 4.05Å; Y12-V38 HydrophobicContact CE1-CG2 4.17Å; Y12-I40 HydrophobicContact CD1-CD1 3.9Å; Y12-I40 HydrophobicContact CG-CD1 4Å; Y12-E77 PolarHBondContact OH-OE1 3.24Å; Y12-I79 HydrophobicContact CD2-CD1 4.35Å; Y12-I79 HydrophobicContact CE2-CD1 4.01Å; Y12-V89 HydrophobicContact CD1-CG1 4.45Å; Y12-V89 HydrophobicContact CE1-CG1 3.67Å; Y12-V89 HydrophobicContact CE1-CG2 4.45Å
13K95.6Very high90.3Very high156 Ų15671.2 Ų71.268%0.67838%0.384SS*.EExtended strand (participates in β ladder)trans-108.8107.4169-173.3178.1179.7-178.90109.3A29 T30K13-A29 CarbonylContact O-C 3.54Å; K13-A29 WeakPolarHBondContact O-CA 3.47Å; K13-A29 WeakPolarHBondContact O-CB 3.46Å; K13-T30 PolarHBondContact N-O 2.97Å; K13-T30 PolarHBondContact O-N 3.43Å
14L94.8Very high90.9Very high36 Ų3672 Ų7219%0.18839%0.389CS..EExtended strand (participates in β ladder)trans-63.7139.1175.3-68.8179.9000110.9L7 K27 A29 I40L7-L14 HydrophobicContact CD1-CD1 3.59Å; L7-L14 HydrophobicContact CD1-CD2 3.92Å; L7-L14 HydrophobicContact CD1-CG 3.73Å; L14-K27 HydrophobicContact CB-CD 4.43Å; L14-K27 HydrophobicContact CD1-CD 4.18Å; L14-K27 HydrophobicContact CD2-CB 4.18Å; L14-K27 HydrophobicContact CD2-CD 4.28Å; L14-A29 HydrophobicContact CD2-CB 4.17Å; L14-I40 HydrophobicContact CD2-CB 4.21Å; L14-I40 HydrophobicContact CD2-CD1 3.93Å; L14-I40 HydrophobicContact CD2-CG2 4.48Å
15G94.6Very high91.5Very high40 Ų4071.2 Ų71.241%0.41238%0.381SS..EExtended strand (participates in β ladder)trans-116.5-146.5173.700000111.9V28G15-V28 WeakPolarHBondContact CA-O 3.34Å; G15-V28 PolarHBondContact N-O 2.82Å
16R94.5Very high92Very high186 Ų18667 Ų6770%0.70237%0.366SS*.EExtended strand (participates in β ladder)trans-64.5151-17969.4177.5-174.9-89.6-0.3112.5I18 K27 V28R16-I18 HydrophobicContact CG-CG2 4.19Å; R16-K27 WeakPolarHBondContact O-CA 3.03Å; R16-V28 HydrophobicContact CG-CG1 3.76Å; R16-V28 PolarHBondContact O-N 3.37Å
17T94.3Very high92.2Very high61 Ų6167.8 Ų67.837%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-69.9133.5166.9-54.90000109.1G19 K25 V26T17-G19 VanDerWaalsContact CG2-O 3.26Å; T17-G19 WeakPolarHBondContact CG2-O 3.4Å; T17-K25 HydrophobicContact CG2-CB 4.41Å; T17-V26 CarbonylContact C-O 3.56Å; T17-V26 WeakPolarHBondContact CA-O 3.45Å
18I91.2Very high92.4Very high81 Ų8169 Ų6942%0.41538%0.375SS..EExtended strand (participates in β ladder)trans-117.1-10.9177.459.2173.7000112.4R16 V26 V28 A39R16-I18 HydrophobicContact CG-CG2 4.19Å; I18-V26 HydrophobicContact CD1-CG1 3.94Å; I18-V26 HydrophobicContact CG1-CB 4.13Å; I18-V26 HydrophobicContact CG1-CG1 3.8Å; I18-V26 WeakPolarHBondContact CG1-O 3.44Å; I18-V26 PolarHBondContact N-O 2.95Å; I18-V28 HydrophobicContact CG2-CB 4.24Å; I18-A39 HydrophobicContact CD1-CB 4.33Å
19G87.1Confident92.6Very high27 Ų2765.3 Ų65.328%0.27835%0.349SS..EExtended strand (participates in β ladder)trans-158.2147.7172.800000110.9T17 K25 V26T17-G19 VanDerWaalsContact CG2-O 3.26Å; T17-G19 WeakPolarHBondContact CG2-O 3.4Å; G19-K25 CarbonylContact O-C 3.6Å; G19-K25 WeakPolarHBondContact O-CA 3.44Å; G19-V26 PolarHBondContact N-O 3.35Å; G19-V26 PolarHBondContact O-N 2.96Å
20E88.4Confident92.8Very high133 Ų13363.9 Ų63.962%0.62135%0.348SS*.EExtended strand (participates in β ladder)trans-138.8127179.2-177.5153.5-177.800109.3K25E20-K25 HydrophobicContact CG-CG 4.19Å; E20-K25 WeakPolarHBondContact OE1-CE 3.43Å; E20-K25 IonicContact OE1-NZ 3.17Å; E20-K25 PolarHBondContact OE1-NZ 2.67Å; E20-K25 IonicContact OE2-NZ 3.35Å; E20-K25 PolarHBondContact OE2-NZ 2.93Å
21G83.8Confident93Very high40 Ų4060.4 Ų60.441%0.41233%0.33SS..  trans-121.6-178.9171.500000110.4Y23 S24G21-Y23 VanDerWaalsContact C-N 3.28Å; G21-Y23 PolarHBondContact O-N 3.39Å; G21-Y23 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact N-O 3.48Å; G21-S24 VanDerWaalsContact O-O 3.11Å
22S83.6Confident93Very high105 Ų10568.1 Ų68.173%0.73436%0.36SS*.SBendtrans-55.9-38.5-171.8-48.60000114.2
23Y87.5Confident92.8Very high89 Ų8973.6 Ų73.635%0.34938%0.384SS..SBendtrans-130.310.9-175.9-43.3-63.5000113.3G21 D44 A48 P49 F52G21-Y23 VanDerWaalsContact C-N 3.28Å; G21-Y23 PolarHBondContact O-N 3.39Å; G21-Y23 VanDerWaalsContact O-N 3.14Å; Y23-D44 PolarHBondContact O-N 2.92Å; Y23-A48 HydrophobicContact CD1-CB 4.17Å; Y23-A48 HydrophobicContact CD2-CB 4.25Å; Y23-A48 HydrophobicContact CG-CB 3.83Å; Y23-P49 VanDerWaalsContact CE2-CD 3.48Å; Y23-P49 HydrophobicContact CE2-CG 3.98Å; Y23-P49 WeakPolarHBondContact OH-CD 3.25Å; Y23-F52 HydrophobicContact CD2-CD1 4.39Å; Y23-F52 HydrophobicContact CD2-CD2 4.18Å; Y23-F52 HydrophobicContact CD2-CE2 4.48Å; Y23-F52 HydrophobicContact CD2-CG 4.13Å
24S92.6Very high92.7Very high22 Ų2269.6 Ų69.615%0.15437%0.365CS..EExtended strand (participates in β ladder)trans-144.3152.2-178.375.20000112.6G21 K41 V42G21-S24 PolarHBondContact N-O 3.48Å; G21-S24 VanDerWaalsContact O-O 3.11Å; S24-K41 WeakPolarHBondContact OG-CE 3.37Å; S24-V42 CarbonylContact C-O 3.43Å; S24-V42 WeakPolarHBondContact CA-O 3.5Å; S24-V42 WeakPolarHBondContact CB-O 3.45Å
25K94.2Very high92.5Very high75 Ų7577.2 Ų77.233%0.32640%0.397SS..EExtended strand (participates in β ladder)trans-128135171.4-62.4-171.2-176.8-127.50109.3T17 G19 E20 K41 V42T17-K25 HydrophobicContact CG2-CB 4.41Å; G19-K25 CarbonylContact O-C 3.6Å; G19-K25 WeakPolarHBondContact O-CA 3.44Å; E20-K25 HydrophobicContact CG-CG 4.19Å; E20-K25 WeakPolarHBondContact OE1-CE 3.43Å; E20-K25 IonicContact OE1-NZ 3.17Å; E20-K25 PolarHBondContact OE1-NZ 2.67Å; E20-K25 IonicContact OE2-NZ 3.35Å; E20-K25 PolarHBondContact OE2-NZ 2.93Å; K25-K41 CarbonylContact O-C 3.51Å; K25-K41 WeakPolarHBondContact O-CA 3.19Å; K25-V42 PolarHBondContact N-O 3Å; K25-V42 PolarHBondContact O-N 2.68Å
26V95.2Very high92.4Very high32 Ų3276.8 Ų76.819%0.19439%0.392CS..EExtended strand (participates in β ladder)trans-97.8124.1171.4-170.70000108T17 I18 G19 A39 I40 K41 M90T17-V26 CarbonylContact C-O 3.56Å; T17-V26 WeakPolarHBondContact CA-O 3.45Å; I18-V26 HydrophobicContact CD1-CG1 3.94Å; I18-V26 HydrophobicContact CG1-CB 4.13Å; I18-V26 HydrophobicContact CG1-CG1 3.8Å; I18-V26 WeakPolarHBondContact CG1-O 3.44Å; I18-V26 PolarHBondContact N-O 2.95Å; G19-V26 PolarHBondContact N-O 3.35Å; G19-V26 PolarHBondContact O-N 2.96Å; V26-A39 HydrophobicContact CG1-CB 4.11Å; V26-I40 WeakPolarHBondContact CA-O 3.26Å; V26-K41 HydrophobicContact CG2-CB 4.13Å; V26-K41 HydrophobicContact CG2-CG 4.19Å; V26-M90 HydrophobicContact CG1-CE 4.1Å
27K95.7Very high92.4Very high52 Ų5272 Ų7223%0.22638%0.384CS..EExtended strand (participates in β ladder)trans-117.5141.8177.1-66.5-172.6171-168.50110.3L14 R16 A39 I40L14-K27 HydrophobicContact CB-CD 4.43Å; L14-K27 HydrophobicContact CD1-CD 4.18Å; L14-K27 HydrophobicContact CD2-CB 4.18Å; L14-K27 HydrophobicContact CD2-CD 4.28Å; R16-K27 WeakPolarHBondContact O-CA 3.03Å; K27-A39 CarbonylContact O-C 3.17Å; K27-A39 WeakPolarHBondContact O-CA 3.03Å; K27-I40 PolarHBondContact N-O 3.08Å; K27-I40 PolarHBondContact O-N 3.01Å
28V96.1Very high92.6Very high28 Ų2869.2 Ų69.217%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-69.6143.9163.671.50000108.6G15 R16 I18 T37G15-V28 WeakPolarHBondContact CA-O 3.34Å; G15-V28 PolarHBondContact N-O 2.82Å; R16-V28 HydrophobicContact CG-CG1 3.76Å; R16-V28 PolarHBondContact O-N 3.37Å; I18-V28 HydrophobicContact CG2-CB 4.24Å; V28-T37 HydrophobicContact CG2-CG2 3.3Å
29A97Very high92.9Very high2 Ų265.6 Ų65.62%0.01735%0.349CS..EExtended strand (participates in β ladder)trans-142.9150.2176.300000111.2K13 L14 T37 V38 I40K13-A29 CarbonylContact O-C 3.54Å; K13-A29 WeakPolarHBondContact O-CA 3.47Å; K13-A29 WeakPolarHBondContact O-CB 3.46Å; L14-A29 HydrophobicContact CD2-CB 4.17Å; A29-T37 WeakPolarHBondContact O-CA 3.23Å; A29-V38 HydrophobicContact CB-CG2 3.91Å; A29-V38 PolarHBondContact N-O 3.14Å; A29-V38 PolarHBondContact O-N 3.17Å; A29-I40 HydrophobicContact CB-CD1 3.63Å; A29-I40 HydrophobicContact CB-CG1 3.96Å
30T96.9Very high93.3Very high85 Ų8564.3 Ų64.352%0.52134%0.336SS..EExtended strand (participates in β ladder)trans-88.7132.3166.3-48.30000108.7Y12 K13Y12-T30 WeakPolarHBondContact CA-O 3.36Å; K13-T30 PolarHBondContact N-O 2.97Å; K13-T30 PolarHBondContact O-N 3.43Å
31S97.2Very high93.7Very high2 Ų258.7 Ų58.71%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-114.3122.3177.3-176.70000111Y12 K33 Y34 K35 G36Y12-S31 WeakPolarHBondContact CE1-OG 3.42Å; S31-K33 PolarHBondContact OG-N 2.87Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.32Å; S31-Y34 PolarHBondContact OG-N 3.39Å; S31-K35 WeakPolarHBondContact O-CA 3.46Å; S31-K35 PolarHBondContact O-N 3.12Å; S31-K35 VanDerWaalsContact O-N 3.15Å; S31-G36 PolarHBondContact N-O 3.47Å; S31-G36 PolarHBondContact O-N 2.81Å; S31-G36 VanDerWaalsContact O-N 3.17Å
32K95.6Very high94.2Very high175 Ų17557.8 Ų57.876%0.76130%0.295SS*.THydrogen-bonded Turntrans-68.9-38167.9-67.2-175.7179.9-179.80111.4G11G11-K32 PolarHBondContact O-N 2.94Å
33K93.2Very high94.8Very high119 Ų11952.8 Ų52.852%0.51726%0.26SS..THydrogen-bonded Turntrans-64.3-47.1-179-174.3178.5179.4-174.70112.3S31 E77S31-K33 PolarHBondContact OG-N 2.87Å; K33-E77 WeakPolarHBondContact CD-OE1 3.44Å; K33-E77 IonicContact NZ-OE1 3.92Å; K33-E77 PolarHBondContact NZ-OE1 3.13Å; K33-E77 IonicContact NZ-OE2 3.43Å; K33-E77 PolarHBondContact NZ-OE2 3.26Å
34Y93.2Very high95Very high72 Ų7250.1 Ų50.128%0.28225%0.252SS..THydrogen-bonded Turntrans-96.19.1-178.9-58.8-62.2000113.8Y12 S31 G36 V38 F76 E77 V89Y12-Y34 HydrophobicContact CE1-CD2 4.14Å; Y12-Y34 HydrophobicContact CE1-CE2 4.32Å; Y12-Y34 WeakPolarHBondContact OH-CE2 3.33Å; S31-Y34 WeakPolarHBondContact OG-CD2 3.32Å; S31-Y34 PolarHBondContact OG-N 3.39Å; Y34-G36 VanDerWaalsContact C-N 3.35Å; Y34-G36 PolarHBondContact O-N 2.75Å; Y34-V38 HydrophobicContact CD2-CG1 4.19Å; Y34-F76 HydrophobicContact CD1-CD1 4.03Å; Y34-F76 HydrophobicContact CD1-CE1 4.34Å; Y34-F76 HydrophobicContact CD1-CG 4.32Å; Y34-F76 HydrophobicContact CD2-CB 4.25Å; Y34-F76 HydrophobicContact CD2-CD2 4.13Å; Y34-F76 HydrophobicContact CD2-CG 4.11Å; Y34-F76 HydrophobicContact CE1-CB 4.03Å; Y34-F76 AromaticContact CE1-CD1 3.92Å; Y34-F76 HydrophobicContact CE1-CD1 3.92Å; Y34-F76 HydrophobicContact CE1-CG 4.11Å; Y34-F76 HydrophobicContact CE2-CB 3.5Å; Y34-F76 VanDerWaalsContact CE2-CB 3.5Å; Y34-F76 HydrophobicContact CE2-CD1 4.47Å; Y34-F76 HydrophobicContact CE2-CD2 4.21Å; Y34-F76 AromaticContact CE2-CG 3.85Å; Y34-F76 HydrophobicContact CE2-CG 3.85Å; Y34-F76 HydrophobicContact CG-CD1 4.41Å; Y34-F76 HydrophobicContact CG-CD2 4.49Å; Y34-F76 HydrophobicContact CG-CG 4.36Å; Y34-F76 VanDerWaalsContact CZ-CB 3.42Å; Y34-F76 AromaticContact CZ-CG 3.91Å; Y34-F76 WeakPolarHBondContact OH-CB 3.48Å; Y34-E77 PolarHBondContact OH-OE1 2.52Å; Y34-V89 HydrophobicContact CD2-CG1 4.45Å; Y34-V89 HydrophobicContact CE2-CG1 4.19Å
35K90.9Very high95Very high196 Ų19652.1 Ų52.185%0.85226%0.256SS*.THydrogen-bonded Turntrans47.950.7176.3-59.2-175.9-179.2-179.10113.5S31S31-K35 WeakPolarHBondContact O-CA 3.46Å; S31-K35 PolarHBondContact O-N 3.12Å; S31-K35 VanDerWaalsContact O-N 3.15Å
36G92.2Very high94.8Very high30 Ų3057 Ų5731%0.30927%0.273SS..EExtended strand (participates in β ladder)trans170-162.9-178.800000114.4S31 Y34S31-G36 PolarHBondContact N-O 3.47Å; S31-G36 PolarHBondContact O-N 2.81Å; S31-G36 VanDerWaalsContact O-N 3.17Å; Y34-G36 VanDerWaalsContact C-N 3.35Å; Y34-G36 PolarHBondContact O-N 2.75Å
37T95.4Very high94.6Very high87 Ų8764.4 Ų64.453%0.53430%0.297SS..EExtended strand (participates in β ladder)trans-85.7133.5178.5-55.90000110.5V28 A29 A92V28-T37 HydrophobicContact CG2-CG2 3.3Å; A29-T37 WeakPolarHBondContact O-CA 3.23Å; T37-A92 HydrophobicContact CG2-CB 3.91Å
38V97.1Very high94.3Very high2 Ų262.5 Ų62.51%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-126.4161.2174-59.40000109.7Y12 A29 Y34 I40 F76 V89 M90Y12-V38 HydrophobicContact CD1-CG2 4.05Å; Y12-V38 HydrophobicContact CE1-CG2 4.17Å; A29-V38 HydrophobicContact CB-CG2 3.91Å; A29-V38 PolarHBondContact N-O 3.14Å; A29-V38 PolarHBondContact O-N 3.17Å; Y34-V38 HydrophobicContact CD2-CG1 4.19Å; V38-I40 HydrophobicContact CG2-CD1 4.32Å; V38-I40 HydrophobicContact CG2-CG1 4.09Å; V38-F76 HydrophobicContact CG1-CD2 4.22Å; V38-F76 HydrophobicContact CG1-CE2 3.85Å; V38-V89 HydrophobicContact CB-CG1 4.24Å; V38-V89 HydrophobicContact CG2-CG1 4.05Å; V38-M90 WeakPolarHBondContact CB-O 3.48Å
39A97.3Very high94.1Very high5 Ų563.6 Ų63.64%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-102.2141.5165.900000109I18 V26 K27 M90I18-A39 HydrophobicContact CD1-CB 4.33Å; V26-A39 HydrophobicContact CG1-CB 4.11Å; K27-A39 CarbonylContact O-C 3.17Å; K27-A39 WeakPolarHBondContact O-CA 3.03Å; A39-M90 HydrophobicContact CB-CE 4.4Å; A39-M90 HydrophobicContact CB-CG 3.85Å; A39-M90 PolarHBondContact N-O 2.88Å; A39-M90 WeakPolarHBondContact O-CG 3.13Å; A39-M90 PolarHBondContact O-N 3.16Å
40I97.1Very high93.7Very high0 Ų067.8 Ų67.80%033%0.326CS..EExtended strand (participates in β ladder)trans-125.8111177.9-57.4-174.3000108.5Y12 L14 V26 K27 A29 V38 V42 Y87 I88 V89Y12-I40 HydrophobicContact CD1-CD1 3.9Å; Y12-I40 HydrophobicContact CG-CD1 4Å; L14-I40 HydrophobicContact CD2-CB 4.21Å; L14-I40 HydrophobicContact CD2-CD1 3.93Å; L14-I40 HydrophobicContact CD2-CG2 4.48Å; V26-I40 WeakPolarHBondContact CA-O 3.26Å; K27-I40 PolarHBondContact N-O 3.08Å; K27-I40 PolarHBondContact O-N 3.01Å; A29-I40 HydrophobicContact CB-CD1 3.63Å; A29-I40 HydrophobicContact CB-CG1 3.96Å; V38-I40 HydrophobicContact CG2-CD1 4.32Å; V38-I40 HydrophobicContact CG2-CG1 4.09Å; I40-V42 HydrophobicContact CG2-CG2 4.27Å; I40-Y87 HydrophobicContact CG2-CD1 3.9Å; I40-Y87 HydrophobicContact CG2-CG 4.42Å; I40-I88 WeakPolarHBondContact CA-O 3.09Å; I40-V89 HydrophobicContact CD1-CG2 4.31Å; I40-V89 HydrophobicContact CG1-CG1 4.36Å; I40-V89 HydrophobicContact CG1-CG2 4.32Å
41K95.7Very high93.2Very high15 Ų1569.5 Ų69.57%0.06533%0.332CS..EExtended strand (participates in β ladder)trans-81.8115.2169-178.3173-176.6-178.50108.2S24 K25 V26 V43 E60 Y87 I88 M90 D154S24-K41 WeakPolarHBondContact OG-CE 3.37Å; K25-K41 CarbonylContact O-C 3.51Å; K25-K41 WeakPolarHBondContact O-CA 3.19Å; V26-K41 HydrophobicContact CG2-CB 4.13Å; V26-K41 HydrophobicContact CG2-CG 4.19Å; K41-V43 HydrophobicContact CG-CG2 4.16Å; K41-E60 IonicContact NZ-OE1 3.6Å; K41-E60 PolarHBondContact NZ-OE1 2.72Å; K41-E60 IonicContact NZ-OE2 3.04Å; K41-Y87 WeakPolarHBondContact O-CA 3.48Å; K41-I88 HydrophobicContact CB-CB 4.24Å; K41-I88 HydrophobicContact CD-CD1 4.42Å; K41-I88 PolarHBondContact N-O 3.47Å; K41-I88 PolarHBondContact O-N 3.4Å; K41-M90 HydrophobicContact CB-CE 3.37Å; K41-D154 IonicContact NZ-OD1 2.95Å; K41-D154 PolarHBondContact NZ-OD1 3.45Å
42V95.2Very high92.8Very high20 Ų2071.1 Ų71.112%0.12134%0.339CS..EExtended strand (participates in β ladder)trans-96.5111.2177.4-172.10000107.6S24 K25 I40 K85 Y87S24-V42 CarbonylContact C-O 3.43Å; S24-V42 WeakPolarHBondContact CA-O 3.5Å; S24-V42 WeakPolarHBondContact CB-O 3.45Å; K25-V42 PolarHBondContact N-O 3Å; K25-V42 PolarHBondContact O-N 2.68Å; I40-V42 HydrophobicContact CG2-CG2 4.27Å; V42-K85 HydrophobicContact CG1-CD 4.27Å; V42-Y87 HydrophobicContact CB-CD1 4.3Å; V42-Y87 HydrophobicContact CB-CE1 4.24Å; V42-Y87 HydrophobicContact CG1-CD1 4.04Å; V42-Y87 HydrophobicContact CG1-CE1 3.58Å; V42-Y87 HydrophobicContact CG2-CD1 3.76Å; V42-Y87 HydrophobicContact CG2-CE1 3.8Å
43V94.6Very high92.6Very high0 Ų064.5 Ų64.50%031%0.313CS..EExtended strand (participates in β ladder)trans-102.3126.8176-176.60000108.7K41 F52 L57 K85 L86 I88K41-V43 HydrophobicContact CG-CG2 4.16Å; V43-F52 HydrophobicContact CG1-CE1 3.99Å; V43-L57 HydrophobicContact CG1-CD1 4.37Å; V43-L57 HydrophobicContact CG1-CD2 4.14Å; V43-L57 HydrophobicContact CG2-CD1 4.44Å; V43-K85 WeakPolarHBondContact O-CA 3.46Å; V43-L86 HydrophobicContact CB-CB 4.33Å; V43-L86 PolarHBondContact N-O 2.9Å; V43-L86 PolarHBondContact O-N 2.95Å; V43-I88 HydrophobicContact CG2-CD1 4.42Å
44D92.9Very high92.4Very high33 Ų3364.7 Ų64.718%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-99.492.8175.2-165.9-26.4000110.2Y23 R46 R47 A48Y23-D44 PolarHBondContact O-N 2.92Å; D44-R46 PolarHBondContact O-N 2.91Å; D44-R46 VanDerWaalsContact O-N 3.17Å; D44-R46 PolarHBondContact OD1-N 2.81Å; D44-R47 HydrophobicContact CB-CB 4.31Å; D44-R47 HydrophobicContact CB-CG 4.43Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 WeakPolarHBondContact OD2-CD 3.37Å; D44-A48 PolarHBondContact O-N 3.21Å
45R92.4Very high92.1Very high65 Ų6566.3 Ų66.325%0.24533%0.328CS..THydrogen-bonded Turntrans-62.6-23.5-176.6-62.1-179.8-82.3-167.5-8.1112.9V53 L57 E80 G84R45-V53 HydrophobicContact CB-CG1 4.44Å; R45-V53 HydrophobicContact CB-CG2 4.28Å; R45-V53 WeakPolarHBondContact O-CG2 3.44Å; R45-L57 HydrophobicContact CG-CD2 3.95Å; R45-E80 IonicContact CZ-OE2 2.75Å; R45-E80 IonicContact NH1-OE2 3.22Å; R45-E80 PolarHBondContact NH1-OE2 3.41Å; R45-E80 IonicContact NH2-OE2 2.72Å; R45-E80 PolarHBondContact NH2-OE2 3.46Å; R45-G84 WeakPolarHBondContact CB-O 3.41Å; R45-G84 VanDerWaalsContact CG-O 3.3Å; R45-G84 WeakPolarHBondContact CG-O 3.49Å; R45-G84 PolarHBondContact N-O 2.89Å; R45-G84 PolarHBondContact NE-O 2.85Å
46R90.1Very high92Very high176 Ų17658.9 Ų58.966%0.66430%0.296SS*.THydrogen-bonded Turntrans-78.3-24.7-179.1-65.2-176.5177.7-178.42.5112.8D44 C82 N83D44-R46 PolarHBondContact O-N 2.91Å; D44-R46 VanDerWaalsContact O-N 3.17Å; D44-R46 PolarHBondContact OD1-N 2.81Å; R46-C82 PolarHBondContact NH2-O 3.36Å; R46-C82 VanDerWaalsContact NH2-O 3.11Å; R46-N83 WeakPolarHBondContact CD-O 3.35Å; R46-N83 VanDerWaalsContact CZ-C 3.47Å; R46-N83 PolarHBondContact NE-O 2.87Å
47R90.2Very high92Very high188 Ų18857.7 Ų57.771%0.70928%0.283SS*.THydrogen-bonded Turntrans-94-10.1177.7-65.5-176.563.7-170.6-2.6113D44D44-R47 HydrophobicContact CB-CB 4.31Å; D44-R47 HydrophobicContact CB-CG 4.43Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 WeakPolarHBondContact OD2-CD 3.37Å
48A90Very high91.9Very high13 Ų1356.5 Ų56.511%0.10728%0.276CS..SBendtrans-87.6147.3-179.700000111.3Y23 D44 F52 V53Y23-A48 HydrophobicContact CD1-CB 4.17Å; Y23-A48 HydrophobicContact CD2-CB 4.25Å; Y23-A48 HydrophobicContact CG-CB 3.83Å; D44-A48 PolarHBondContact O-N 3.21Å; A48-F52 HydrophobicContact CB-CB 4.37Å; A48-F52 HydrophobicContact CB-CD1 3.54Å; A48-F52 HydrophobicContact CB-CE1 4.22Å; A48-F52 HydrophobicContact CB-CG 4.26Å; A48-V53 HydrophobicContact CB-CG2 3.71Å
49P91.4Very high91.7Very high50 Ų5058.9 Ų58.933%0.32529%0.285SS..  trans-65.3151.8175.826-33000111.1Y23 D51 F52 V53Y23-P49 VanDerWaalsContact CE2-CD 3.48Å; Y23-P49 HydrophobicContact CE2-CG 3.98Å; Y23-P49 WeakPolarHBondContact OH-CD 3.25Å; P49-D51 PolarHBondContact O-N 3.47Å; P49-F52 HydrophobicContact CG-CB 3.83Å; P49-F52 WeakPolarHBondContact O-CB 3.19Å; P49-F52 PolarHBondContact O-N 3.09Å; P49-V53 PolarHBondContact O-N 3.25Å; P49-V53 VanDerWaalsContact O-N 3.16Å
50P90.1Very high91.6Very high91 Ų9158.8 Ų58.859%0.59128%0.284SS*.Hα-helixtrans-52.8-40.6-179.4-28.135.3000113.5F52 V53 N54P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.12Å; P50-V53 PolarHBondContact O-N 3.17Å; P50-N54 VanDerWaalsContact O-CB 3.24Å; P50-N54 WeakPolarHBondContact O-CB 3.25Å; P50-N54 VanDerWaalsContact O-CG 3.26Å; P50-N54 PolarHBondContact O-N 2.76Å; P50-N54 PolarHBondContact O-ND2 3.28Å
51D85.7Confident91.5Very high121 Ų12159.4 Ų59.465%0.64729%0.287SS*.Hα-helixtrans-61.5-38.4178-73.7-12.7000112.7P49 K55 F56P49-D51 PolarHBondContact O-N 3.47Å; D51-K55 WeakPolarHBondContact O-CA 3.45Å; D51-K55 WeakPolarHBondContact O-CB 3.43Å; D51-K55 PolarHBondContact O-N 2.78Å; D51-F56 PolarHBondContact O-N 3.35Å
52F88.8Confident91.5Very high36 Ų3662.4 Ų62.416%0.15831%0.31CS..Iπ-helixtrans-64.2-50.4174.9177.5-91.5000110.7Y23 V43 A48 P49 P50 N54 F56 L57Y23-F52 HydrophobicContact CD2-CD1 4.39Å; Y23-F52 HydrophobicContact CD2-CD2 4.18Å; Y23-F52 HydrophobicContact CD2-CE2 4.48Å; Y23-F52 HydrophobicContact CD2-CG 4.13Å; V43-F52 HydrophobicContact CG1-CE1 3.99Å; A48-F52 HydrophobicContact CB-CB 4.37Å; A48-F52 HydrophobicContact CB-CD1 3.54Å; A48-F52 HydrophobicContact CB-CE1 4.22Å; A48-F52 HydrophobicContact CB-CG 4.26Å; P49-F52 HydrophobicContact CG-CB 3.83Å; P49-F52 WeakPolarHBondContact O-CB 3.19Å; P49-F52 PolarHBondContact O-N 3.09Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.12Å; F52-N54 PolarHBondContact O-N 2.85Å; F52-F56 HydrophobicContact CD2-CB 3.88Å; F52-F56 HydrophobicContact CE2-CB 4.24Å; F52-F56 PolarHBondContact O-N 2.73Å; F52-F56 VanDerWaalsContact O-N 3.07Å; F52-L57 HydrophobicContact CD1-CB 4.4Å; F52-L57 HydrophobicContact CE1-CB 4Å; F52-L57 HydrophobicContact CE1-CD2 4.48Å; F52-L57 HydrophobicContact CZ-CB 4.35Å; F52-L57 PolarHBondContact O-N 2.85Å
53V90.3Very high91.5Very high35 Ų3561.8 Ų61.821%0.21231%0.305CS..Iπ-helixtrans-66.4-38.2-175.8179.90000112.2R45 A48 P49 P50 P58R45-V53 HydrophobicContact CB-CG1 4.44Å; R45-V53 HydrophobicContact CB-CG2 4.28Å; R45-V53 WeakPolarHBondContact O-CG2 3.44Å; A48-V53 HydrophobicContact CB-CG2 3.71Å; P49-V53 PolarHBondContact O-N 3.25Å; P49-V53 VanDerWaalsContact O-N 3.16Å; P50-V53 PolarHBondContact O-N 3.17Å; V53-P58 WeakPolarHBondContact O-CD 3.35Å; V53-P58 VanDerWaalsContact O-CG 3.31Å; V53-P58 WeakPolarHBondContact O-CG 3.41Å
54N89.7Confident91.6Very high123 Ų12362.2 Ų62.266%0.65831%0.308SS*.Iπ-helixtrans-91.4-23.3-173.5-64.1-25.5000113.1P50 F52P50-N54 VanDerWaalsContact O-CB 3.24Å; P50-N54 WeakPolarHBondContact O-CB 3.25Å; P50-N54 VanDerWaalsContact O-CG 3.26Å; P50-N54 PolarHBondContact O-N 2.76Å; P50-N54 PolarHBondContact O-ND2 3.28Å; F52-N54 PolarHBondContact O-N 2.85Å
55K87Confident91.7Very high107 Ų10766.7 Ų66.747%0.46532%0.322SS..Iπ-helixtrans-120.8-51.6-174.1-163.3-175179.51740113.8D51 R59D51-K55 WeakPolarHBondContact O-CA 3.45Å; D51-K55 WeakPolarHBondContact O-CB 3.43Å; D51-K55 PolarHBondContact O-N 2.78Å; K55-R59 VanDerWaalsContact O-CG 3.28Å; K55-R59 WeakPolarHBondContact O-CG 3.24Å; K55-R59 PolarHBondContact O-NE 3Å
56F88.6Confident91.8Very high40 Ų4066.2 Ų66.218%0.17534%0.338CS..Iπ-helixtrans-77.9-50.9-173.8-70.7-88.9000111.9D51 F52 R59 E60 F157 T170D51-F56 PolarHBondContact O-N 3.35Å; F52-F56 HydrophobicContact CD2-CB 3.88Å; F52-F56 HydrophobicContact CE2-CB 4.24Å; F52-F56 PolarHBondContact O-N 2.73Å; F52-F56 VanDerWaalsContact O-N 3.07Å; F56-R59 VanDerWaalsContact CE1-NH2 3.25Å; F56-R59 PolarHBondContact O-N 2.91Å; F56-E60 PolarHBondContact O-N 2.75Å; F56-F157 HydrophobicContact CD1-CD1 4.36Å; F56-F157 HydrophobicContact CE1-CD1 4.13Å; F56-T170 HydrophobicContact CZ-CG2 4.4Å
57L92.4Very high92.1Very high5 Ų558.1 Ų58.13%0.02631%0.307CS..Hα-helixtrans-60.7-46.1-178.6-177.664.4000112.8V43 R45 F52 R59 E60 L61 L86V43-L57 HydrophobicContact CG1-CD1 4.37Å; V43-L57 HydrophobicContact CG1-CD2 4.14Å; V43-L57 HydrophobicContact CG2-CD1 4.44Å; R45-L57 HydrophobicContact CG-CD2 3.95Å; F52-L57 HydrophobicContact CD1-CB 4.4Å; F52-L57 HydrophobicContact CE1-CB 4Å; F52-L57 HydrophobicContact CE1-CD2 4.48Å; F52-L57 HydrophobicContact CZ-CB 4.35Å; F52-L57 PolarHBondContact O-N 2.85Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 3.37Å; L57-E60 PolarHBondContact O-N 3.06Å; L57-L61 HydrophobicContact CD1-CD1 4.31Å; L57-L61 HydrophobicContact CD1-CD2 4.37Å; L57-L61 HydrophobicContact CD1-CG 4.13Å; L57-L61 HydrophobicContact CG-CD1 4.08Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.96Å; L57-L86 HydrophobicContact CD1-CD2 4.03Å; L57-L86 HydrophobicContact CD2-CD2 4.09Å; L57-L86 HydrophobicContact CG-CD2 4.38Å
58P93.3Very high92.4Very high61 Ų6155.8 Ų55.840%0.39630%0.299SS..Hα-helixtrans-63.1-33.6178.9-25.438.1000112.8V53 S62V53-P58 WeakPolarHBondContact O-CD 3.35Å; V53-P58 VanDerWaalsContact O-CG 3.31Å; V53-P58 WeakPolarHBondContact O-CG 3.41Å; P58-S62 WeakPolarHBondContact O-CB 3.49Å; P58-S62 PolarHBondContact O-N 3.12Å
59R93.6Very high92.8Very high52 Ų5257.2 Ų57.220%0.19630%0.303CS..Hα-helixtrans-67.2-47.7174.2-75.4-175.5-67.8170.94.7111.6K55 F56 L57 L61 S62 I63K55-R59 VanDerWaalsContact O-CG 3.28Å; K55-R59 WeakPolarHBondContact O-CG 3.24Å; K55-R59 PolarHBondContact O-NE 3Å; F56-R59 VanDerWaalsContact CE1-NH2 3.25Å; F56-R59 PolarHBondContact O-N 2.91Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 3.37Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 2.76Å; R59-S62 WeakPolarHBondContact O-CB 3.2Å; R59-S62 PolarHBondContact O-N 3.03Å; R59-I63 WeakPolarHBondContact O-CG1 3.23Å; R59-I63 PolarHBondContact O-N 3.16Å
60E94.4Very high93Very high4 Ų458.9 Ų58.92%0.01931%0.314CS..Hα-helixtrans-55.5-48.7175-179.2179.3-171.900110.8K41 F56 L57 S62 I63 L64 F155K41-E60 IonicContact NZ-OE1 3.6Å; K41-E60 PolarHBondContact NZ-OE1 2.72Å; K41-E60 IonicContact NZ-OE2 3.04Å; F56-E60 PolarHBondContact O-N 2.75Å; L57-E60 PolarHBondContact O-N 3.06Å; E60-S62 PolarHBondContact O-N 3.14Å; E60-I63 PolarHBondContact O-N 2.94Å; E60-L64 HydrophobicContact CG-CD1 3.8Å; E60-L64 HydrophobicContact CG-CG 4.31Å; E60-L64 WeakPolarHBondContact O-CB 3.22Å; E60-L64 VanDerWaalsContact O-CG 3.31Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 3.49Å; E60-F155 HydrophobicContact CG-CB 4.2Å
61L95.2Very high93.4Very high13 Ų1356.4 Ų56.47%0.06830%0.295CS..Hα-helixtrans-64.5-37.8179.5-62.2176.9000112.9L57 R59 R65 F78 L86 I88L57-L61 HydrophobicContact CD1-CD1 4.31Å; L57-L61 HydrophobicContact CD1-CD2 4.37Å; L57-L61 HydrophobicContact CD1-CG 4.13Å; L57-L61 HydrophobicContact CG-CD1 4.08Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.96Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 2.76Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.28Å; L61-R65 PolarHBondContact O-N 3.27Å; L61-F78 HydrophobicContact CD2-CD1 3.63Å; L61-F78 HydrophobicContact CD2-CE1 3.34Å; L61-F78 HydrophobicContact CD2-CZ 4.31Å; L61-L86 HydrophobicContact CD1-CD2 3.79Å; L61-L86 HydrophobicContact CD2-CD2 3.83Å; L61-L86 HydrophobicContact CG-CD2 4.35Å; L61-I88 HydrophobicContact CD2-CD1 3.83Å; L61-I88 HydrophobicContact CD2-CG1 4.38Å
62S95.2Very high94Very high78 Ų7850.8 Ų50.855%0.54526%0.264SS..Hα-helixtrans-61.2-46.8175-174.50000111.1P58 R59 E60 R65 G66P58-S62 WeakPolarHBondContact O-CB 3.49Å; P58-S62 PolarHBondContact O-N 3.12Å; R59-S62 WeakPolarHBondContact O-CB 3.2Å; R59-S62 PolarHBondContact O-N 3.03Å; E60-S62 PolarHBondContact O-N 3.14Å; S62-R65 PolarHBondContact O-N 3.38Å; S62-G66 PolarHBondContact O-N 3.46Å
63I96.5Very high94.4Very high6 Ų649.3 Ų49.33%0.03126%0.258CS..Hα-helixtrans-60.8-54.1176.7-68.3169.5000110.4R59 E60 R65 G66 V67 L131 F155R59-I63 WeakPolarHBondContact O-CG1 3.23Å; R59-I63 PolarHBondContact O-N 3.16Å; E60-I63 PolarHBondContact O-N 2.94Å; I63-R65 PolarHBondContact O-N 3.46Å; I63-R65 VanDerWaalsContact O-N 3.16Å; I63-G66 PolarHBondContact O-N 3.06Å; I63-V67 HydrophobicContact CG2-CG1 3.91Å; I63-V67 WeakPolarHBondContact O-CG1 3.44Å; I63-V67 WeakPolarHBondContact O-CG2 3.4Å; I63-V67 PolarHBondContact O-N 2.9Å; I63-L131 HydrophobicContact CD1-CD2 4.49Å; I63-L131 HydrophobicContact CG1-CD1 4.46Å; I63-L131 HydrophobicContact CG1-CD2 3.94Å; I63-L131 HydrophobicContact CG2-CD1 4.27Å; I63-F155 HydrophobicContact CG2-CB 4.11Å; I63-F155 HydrophobicContact CG2-CD1 3.61Å; I63-F155 HydrophobicContact CG2-CE1 4.15Å; I63-F155 HydrophobicContact CG2-CG 3.86Å
64L96.1Very high94.6Very high9 Ų951 Ų515%0.04726%0.263CS..Hα-helixtrans-60.4-28.3-176.9-71.8176.4000113.4E60 V73 V75 F78 I88 F155E60-L64 HydrophobicContact CG-CD1 3.8Å; E60-L64 HydrophobicContact CG-CG 4.31Å; E60-L64 WeakPolarHBondContact O-CB 3.22Å; E60-L64 VanDerWaalsContact O-CG 3.31Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 3.49Å; L64-V73 HydrophobicContact CD2-CG1 4.36Å; L64-V75 HydrophobicContact CB-CG2 3.99Å; L64-V75 HydrophobicContact CD1-CG2 4.18Å; L64-V75 HydrophobicContact CD2-CG2 3.88Å; L64-V75 HydrophobicContact CG-CG2 4.24Å; L64-F78 HydrophobicContact CB-CE1 4.47Å; L64-F78 HydrophobicContact CB-CZ 3.98Å; L64-I88 HydrophobicContact CD1-CD1 4.4Å; L64-I88 HydrophobicContact CD1-CG2 4.34Å; L64-F155 HydrophobicContact CD2-CD2 3.62Å; L64-F155 HydrophobicContact CD2-CE2 4.22Å; L64-F155 HydrophobicContact CD2-CG 4.41Å
65R95.3Very high95Very high128 Ų12845.4 Ų45.448%0.48323%0.234SC..Hα-helixtrans-73.8-39.6173.4-76.6174.7-177.9133.4-1.4112.7L61 S62 I63 F78L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.28Å; L61-R65 PolarHBondContact O-N 3.27Å; S62-R65 PolarHBondContact O-N 3.38Å; I63-R65 PolarHBondContact O-N 3.46Å; I63-R65 VanDerWaalsContact O-N 3.16Å; R65-F78 HydrophobicContact CG-CD2 4.38Å; R65-F78 HydrophobicContact CG-CE2 3.48Å; R65-F78 VanDerWaalsContact CG-CE2 3.48Å; R65-F78 HydrophobicContact CG-CZ 3.88Å
66G94.3Very high95.4Very high55 Ų5543.4 Ų43.457%0.56723%0.226SC*.Hα-helixtrans-83.7-28.7-174.200000114.7S62 I63S62-G66 PolarHBondContact O-N 3.46Å; I63-G66 PolarHBondContact O-N 3.06Å
67V96.6Very high95.7Very high5 Ų543.4 Ų43.43%0.0323%0.226CC..  trans-78.8134.1-174.5-62.40000112.7I63 I72 Y125 L126 L131I63-V67 HydrophobicContact CG2-CG1 3.91Å; I63-V67 WeakPolarHBondContact O-CG1 3.44Å; I63-V67 WeakPolarHBondContact O-CG2 3.4Å; I63-V67 PolarHBondContact O-N 2.9Å; V67-I72 HydrophobicContact CB-CG2 4.49Å; V67-I72 HydrophobicContact CG2-CG2 3.9Å; V67-Y125 HydrophobicContact CB-CE1 4.16Å; V67-Y125 HydrophobicContact CG1-CE1 4.23Å; V67-L126 HydrophobicContact CG1-CD2 3.77Å; V67-L131 HydrophobicContact CG1-CD1 3.67Å
68R96.2Very high95.8Very high139 Ų13945.6 Ų45.653%0.52524%0.235SC..  trans-14299.7175.2-65.1-65.9178.9-116.310.2109Y125R68-Y125 PolarHBondContact N-OH 2.89Å; R68-Y125 PolarHBondContact O-OH 3.02Å
69H97.8Very high95.9Very high44 Ų4443.3 Ų43.320%0.20422%0.22CC..  trans-150.2141.6-179.2-173-97.6000110.5H71 I72 Y125H69-H71 AromaticContact CE1-CD2 3.67Å; H69-H71 PolarHBondContact ND1-N 2.87Å; H69-H71 PolarHBondContact O-N 3.2Å; H69-H71 VanDerWaalsContact O-N 3.12Å; H69-I72 HydrophobicContact CB-CB 4.11Å; H69-I72 HydrophobicContact CB-CD1 3.79Å; H69-I72 HydrophobicContact CB-CG1 3.9Å; H69-I72 PolarHBondContact O-N 2.81Å; H69-Y125 HydrophobicContact CB-CD1 3.88Å; H69-Y125 HydrophobicContact CB-CE1 3.99Å; H69-Y125 HydrophobicContact CB-CG 4.18Å; H69-Y125 AromaticContact CD2-CD2 3.95Å; H69-Y125 AromaticContact CD2-CG 3.7Å
70P97Very high95.9Very high85 Ų8545.9 Ų45.955%0.55223%0.234SC*.THydrogen-bonded Turntrans-59.4-25.5-179.122.2-34.8000113.9K151P70-K151 VanDerWaalsContact O-CD 3.26Å; P70-K151 WeakPolarHBondContact O-CD 2.95Å; P70-K151 WeakPolarHBondContact O-CE 3.47Å; P70-K151 PolarHBondContact O-NZ 2.77Å
71H98.2Very high95.6Very high39 Ų3946.4 Ų46.418%0.18124%0.237CC..THydrogen-bonded Turntrans-107.720.8-179-54.7-61.5000114.4H69 Q118 A122 V150 K151 L152H69-H71 AromaticContact CE1-CD2 3.67Å; H69-H71 PolarHBondContact ND1-N 2.87Å; H69-H71 PolarHBondContact O-N 3.2Å; H69-H71 VanDerWaalsContact O-N 3.12Å; H71-Q118 HydrophobicContact CB-CB 4.42Å; H71-Q118 VanDerWaalsContact CE1-CG 3.48Å; H71-Q118 WeakPolarHBondContact CE1-CG 3.46Å; H71-Q118 PolarHBondContact CE1-OE1 3.35Å; H71-Q118 PolarHBondContact ND1-OE1 3.46Å; H71-Q118 VanDerWaalsContact ND1-OE1 3.08Å; H71-A122 HydrophobicContact CB-CB 4.02Å; H71-V150 VanDerWaalsContact CA-O 3.23Å; H71-V150 WeakPolarHBondContact CA-O 3.49Å; H71-V150 WeakPolarHBondContact CB-O 3.34Å; H71-V150 PolarHBondContact ND1-O 2.83Å; H71-V150 VanDerWaalsContact ND1-O 3.16Å; H71-K151 WeakPolarHBondContact O-CA 3.31Å; H71-L152 PolarHBondContact O-N 2.91Å
72I98.1Very high95.1Very high3 Ų352 Ų522%0.01528%0.276CS..BIsolated β-bridgetrans-123142.3170.9-63.2177000107.8V67 H69 H74 A122 Y125 L126 L152 F155V67-I72 HydrophobicContact CB-CG2 4.49Å; V67-I72 HydrophobicContact CG2-CG2 3.9Å; H69-I72 HydrophobicContact CB-CB 4.11Å; H69-I72 HydrophobicContact CB-CD1 3.79Å; H69-I72 HydrophobicContact CB-CG1 3.9Å; H69-I72 PolarHBondContact O-N 2.81Å; I72-H74 PolarHBondContact O-N 3.25Å; I72-A122 HydrophobicContact CD1-CB 4.47Å; I72-A122 HydrophobicContact CG1-CB 4Å; I72-Y125 HydrophobicContact CD1-CD1 3.65Å; I72-Y125 HydrophobicContact CD1-CE1 3.99Å; I72-L126 HydrophobicContact CD1-CD1 4.23Å; I72-L126 HydrophobicContact CD1-CD2 3.82Å; I72-L126 HydrophobicContact CD1-CG 3.83Å; I72-L152 HydrophobicContact CG1-CB 4.42Å; I72-F155 HydrophobicContact CG2-CE2 3.73Å; I72-F155 HydrophobicContact CG2-CZ 3.63Å
73V96.6Very high94.6Very high5 Ų550.4 Ų50.43%0.0326%0.261CS..PPolyproline II helixtrans-55.1124.4-179.5740000110.7L64 M90 E91 L152L64-V73 HydrophobicContact CD2-CG1 4.36Å; V73-M90 HydrophobicContact CG2-CB 4.06Å; V73-M90 HydrophobicContact CG2-CG 4.25Å; V73-M90 HydrophobicContact CG2-SD 4.02Å; V73-E91 WeakPolarHBondContact CA-OE1 3.35Å; V73-E91 HydrophobicContact CG2-CG 3.63Å; V73-L152 WeakPolarHBondContact CB-O 3.3Å; V73-L152 PolarHBondContact N-O 2.89Å
74H95.6Very high94.2Very high69 Ų6950.7 Ų50.732%0.31927%0.266SS..PPolyproline II helixtrans-82.4120.6175.6-175.962000110.2I72 F76 M90 E91I72-H74 PolarHBondContact O-N 3.25Å; H74-F76 AromaticContact CD2-CD1 3.43Å; H74-F76 VanDerWaalsContact CD2-CD1 3.43Å; H74-F76 WeakPolarHBondContact CD2-CD1 3.44Å; H74-F76 AromaticContact CD2-CE1 3.5Å; H74-F76 VanDerWaalsContact CD2-CE1 3.5Å; H74-F76 WeakPolarHBondContact CD2-CE1 3.37Å; H74-F76 AromaticContact NE2-CD1 3.7Å; H74-M90 CarbonylContact O-C 3.55Å; H74-M90 VanDerWaalsContact O-CA 3.25Å; H74-M90 WeakPolarHBondContact O-CA 3.28Å; H74-M90 WeakPolarHBondContact O-CB 3.38Å; H74-E91 HydrophobicContact CB-CG 4.43Å; H74-E91 PolarHBondContact N-OE1 2.82Å; H74-E91 PolarHBondContact O-N 2.84Å
75V96.4Very high94.1Very high6 Ų653.3 Ų53.34%0.03628%0.277CS..EExtended strand (participates in β ladder)trans-88.4121.2169-177.70000109.1L64 F78 I88 V89 M90L64-V75 HydrophobicContact CB-CG2 3.99Å; L64-V75 HydrophobicContact CD1-CG2 4.18Å; L64-V75 HydrophobicContact CD2-CG2 3.88Å; L64-V75 HydrophobicContact CG-CG2 4.24Å; V75-F78 HydrophobicContact CB-CZ 4.33Å; V75-F78 HydrophobicContact CG1-CD1 4.43Å; V75-F78 HydrophobicContact CG1-CD2 4.39Å; V75-F78 HydrophobicContact CG1-CE1 3.93Å; V75-F78 HydrophobicContact CG1-CE2 3.87Å; V75-F78 HydrophobicContact CG1-CZ 3.64Å; V75-I88 HydrophobicContact CG1-CG2 3.71Å; V75-I88 HydrophobicContact CG2-CG2 4.03Å; V75-V89 WeakPolarHBondContact CG1-O 3.26Å; V75-M90 HydrophobicContact CG2-CB 4.38Å
76F95.6Very high94.1Very high66 Ų6647.3 Ų47.329%0.28925%0.254SS..EExtended strand (participates in β ladder)trans-79.4-46.8177.9-62.5-65.2000112.1Y34 V38 H74 V89 M90 E91Y34-F76 HydrophobicContact CD1-CD1 4.03Å; Y34-F76 HydrophobicContact CD1-CE1 4.34Å; Y34-F76 HydrophobicContact CD1-CG 4.32Å; Y34-F76 HydrophobicContact CD2-CB 4.25Å; Y34-F76 HydrophobicContact CD2-CD2 4.13Å; Y34-F76 HydrophobicContact CD2-CG 4.11Å; Y34-F76 HydrophobicContact CE1-CB 4.03Å; Y34-F76 AromaticContact CE1-CD1 3.92Å; Y34-F76 HydrophobicContact CE1-CD1 3.92Å; Y34-F76 HydrophobicContact CE1-CG 4.11Å; Y34-F76 HydrophobicContact CE2-CB 3.5Å; Y34-F76 VanDerWaalsContact CE2-CB 3.5Å; Y34-F76 HydrophobicContact CE2-CD1 4.47Å; Y34-F76 HydrophobicContact CE2-CD2 4.21Å; Y34-F76 AromaticContact CE2-CG 3.85Å; Y34-F76 HydrophobicContact CE2-CG 3.85Å; Y34-F76 HydrophobicContact CG-CD1 4.41Å; Y34-F76 HydrophobicContact CG-CD2 4.49Å; Y34-F76 HydrophobicContact CG-CG 4.36Å; Y34-F76 VanDerWaalsContact CZ-CB 3.42Å; Y34-F76 AromaticContact CZ-CG 3.91Å; Y34-F76 WeakPolarHBondContact OH-CB 3.48Å; V38-F76 HydrophobicContact CG1-CD2 4.22Å; V38-F76 HydrophobicContact CG1-CE2 3.85Å; H74-F76 AromaticContact CD2-CD1 3.43Å; H74-F76 VanDerWaalsContact CD2-CD1 3.43Å; H74-F76 WeakPolarHBondContact CD2-CD1 3.44Å; H74-F76 AromaticContact CD2-CE1 3.5Å; H74-F76 VanDerWaalsContact CD2-CE1 3.5Å; H74-F76 WeakPolarHBondContact CD2-CE1 3.37Å; H74-F76 AromaticContact NE2-CD1 3.7Å; F76-V89 HydrophobicContact CB-CG1 4.41Å; F76-V89 HydrophobicContact CD2-CG1 4.21Å; F76-V89 PolarHBondContact N-O 3.12Å; F76-M90 VanDerWaalsContact CE2-C 3.45Å; F76-E91 HydrophobicContact CE2-CB 4.22Å; F76-E91 HydrophobicContact CZ-CB 4.22Å
77E95.4Very high94.1Very high39 Ų3944.7 Ų44.718%0.18223%0.228CC..EExtended strand (participates in β ladder)trans-160.7163.1178.966.7-173.9102.600113.4Y12 K33 Y34 I79 V89Y12-E77 PolarHBondContact OH-OE1 3.24Å; K33-E77 WeakPolarHBondContact CD-OE1 3.44Å; K33-E77 IonicContact NZ-OE1 3.92Å; K33-E77 PolarHBondContact NZ-OE1 3.13Å; K33-E77 IonicContact NZ-OE2 3.43Å; K33-E77 PolarHBondContact NZ-OE2 3.26Å; Y34-E77 PolarHBondContact OH-OE1 2.52Å; E77-I79 HydrophobicContact CG-CD1 4.33Å; E77-I79 HydrophobicContact CG-CG1 4.22Å; E77-V89 HydrophobicContact CG-CB 3.83Å; E77-V89 HydrophobicContact CG-CG2 3.74Å; E77-V89 PolarHBondContact N-O 2.82Å; E77-V89 PolarHBondContact O-N 2.95Å
78F95.7Very high94.1Very high52 Ų5244.6 Ų44.623%0.22823%0.227CC..EExtended strand (participates in β ladder)trans-115.9127.5173.1-57.9-86.4000108.7L61 L64 R65 V75 L86 Y87 I88L61-F78 HydrophobicContact CD2-CD1 3.63Å; L61-F78 HydrophobicContact CD2-CE1 3.34Å; L61-F78 HydrophobicContact CD2-CZ 4.31Å; L64-F78 HydrophobicContact CB-CE1 4.47Å; L64-F78 HydrophobicContact CB-CZ 3.98Å; R65-F78 HydrophobicContact CG-CD2 4.38Å; R65-F78 HydrophobicContact CG-CE2 3.48Å; R65-F78 VanDerWaalsContact CG-CE2 3.48Å; R65-F78 HydrophobicContact CG-CZ 3.88Å; V75-F78 HydrophobicContact CB-CZ 4.33Å; V75-F78 HydrophobicContact CG1-CD1 4.43Å; V75-F78 HydrophobicContact CG1-CD2 4.39Å; V75-F78 HydrophobicContact CG1-CE1 3.93Å; V75-F78 HydrophobicContact CG1-CE2 3.87Å; V75-F78 HydrophobicContact CG1-CZ 3.64Å; F78-L86 HydrophobicContact CB-CD1 4.3Å; F78-Y87 CarbonylContact C-O 3.47Å; F78-Y87 WeakPolarHBondContact CA-O 3.39Å; F78-I88 HydrophobicContact CD1-CB 4.41Å; F78-I88 HydrophobicContact CD1-CG1 4.04Å; F78-I88 HydrophobicContact CD1-CG2 4.05Å; F78-I88 HydrophobicContact CE1-CD1 4.48Å; F78-I88 HydrophobicContact CE1-CG1 4.26Å; F78-I88 HydrophobicContact CE1-CG2 3.77Å
79I95Very high94.2Very high13 Ų1338 Ų387%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-118.3113.2179-55.2160.1000108L6 L7 L10 Y12 E77 V81 Y87 V89L6-I79 HydrophobicContact CD2-CG2 4.2Å; L7-I79 HydrophobicContact CD2-CD1 3.94Å; L10-I79 HydrophobicContact CD1-CD1 3.78Å; L10-I79 HydrophobicContact CD1-CG1 4.22Å; L10-I79 HydrophobicContact CD1-CG2 3.84Å; Y12-I79 HydrophobicContact CD2-CD1 4.35Å; Y12-I79 HydrophobicContact CE2-CD1 4.01Å; E77-I79 HydrophobicContact CG-CD1 4.33Å; E77-I79 HydrophobicContact CG-CG1 4.22Å; I79-V81 HydrophobicContact CG2-CG2 4.27Å; I79-Y87 PolarHBondContact N-O 3.33Å; I79-Y87 PolarHBondContact O-N 2.92Å; I79-V89 HydrophobicContact CD1-CG2 3.84Å
80E92.2Very high94.1Very high106 Ų10636.5 Ų36.550%0.49520%0.195SC..EExtended strand (participates in β ladder)trans-98.5137.1175.7-69.4-165.5-143.100110.9R45 L86R45-E80 IonicContact CZ-OE2 2.75Å; R45-E80 IonicContact NH1-OE2 3.22Å; R45-E80 PolarHBondContact NH1-OE2 3.41Å; R45-E80 IonicContact NH2-OE2 2.72Å; R45-E80 PolarHBondContact NH2-OE2 3.46Å; E80-L86 HydrophobicContact CG-CD1 3.6Å
81V89.9Confident94Very high14 Ų1434.4 Ų34.49%0.08518%0.178CC..  trans-126.7142.9-175.5-161.70000110L6 I79 N83 G84 K85 Y87L6-V81 HydrophobicContact CD2-CB 4.26Å; L6-V81 HydrophobicContact CD2-CG1 3.76Å; L6-V81 HydrophobicContact CD2-CG2 3.53Å; I79-V81 HydrophobicContact CG2-CG2 4.27Å; V81-N83 PolarHBondContact O-N 3.45Å; V81-G84 PolarHBondContact O-N 3.29Å; V81-K85 PolarHBondContact N-O 2.99Å; V81-Y87 HydrophobicContact CB-CE2 4.38Å; V81-Y87 HydrophobicContact CG2-CD2 3.73Å; V81-Y87 HydrophobicContact CG2-CE2 3.4Å; V81-Y87 VanDerWaalsContact CG2-CE2 3.4Å
82C83.9Confident93.7Very high130 Ų13034.3 Ų34.388%0.87818%0.184SC*.THydrogen-bonded Turntrans-58.1-20-174.6-48.10000114R46 G84R46-C82 PolarHBondContact NH2-O 3.36Å; R46-C82 VanDerWaalsContact NH2-O 3.11Å; C82-G84 PolarHBondContact O-N 3.23Å
83N84.6Confident93.4Very high45 Ų4535.8 Ų35.824%0.24120%0.197CC..THydrogen-bonded Turntrans-75.48.2173.870.51.5000113.7R46 V81 K85R46-N83 WeakPolarHBondContact CD-O 3.35Å; R46-N83 VanDerWaalsContact CZ-C 3.47Å; R46-N83 PolarHBondContact NE-O 2.87Å; V81-N83 PolarHBondContact O-N 3.45Å; N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 2.84Å; N83-K85 WeakPolarHBondContact OD1-CB 3.46Å; N83-K85 PolarHBondContact OD1-N 3.04Å
84G88.5Confident93.1Very high13 Ų1338.6 Ų38.613%0.13422%0.22CC..SBendtrans83.6-4.7179.300000114.2R45 V81 C82R45-G84 WeakPolarHBondContact CB-O 3.41Å; R45-G84 VanDerWaalsContact CG-O 3.3Å; R45-G84 WeakPolarHBondContact CG-O 3.49Å; R45-G84 PolarHBondContact N-O 2.89Å; R45-G84 PolarHBondContact NE-O 2.85Å; V81-G84 PolarHBondContact O-N 3.29Å; C82-G84 PolarHBondContact O-N 3.23Å
85K93Very high93.1Very high64 Ų6436.1 Ų36.128%0.27821%0.21SC..EExtended strand (participates in β ladder)trans-75.7144.9174.8-65.1-173.6177-174.80111.2V42 V43 V81 N83 Y87V42-K85 HydrophobicContact CG1-CD 4.27Å; V43-K85 WeakPolarHBondContact O-CA 3.46Å; V81-K85 PolarHBondContact N-O 2.99Å; N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 2.84Å; N83-K85 WeakPolarHBondContact OD1-CB 3.46Å; N83-K85 PolarHBondContact OD1-N 3.04Å; K85-Y87 HydrophobicContact CB-CE2 3.72Å; K85-Y87 VanDerWaalsContact CD-OH 3.26Å; K85-Y87 WeakPolarHBondContact CD-OH 3.43Å
86L94.9Very high93.1Very high1 Ų137 Ų371%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-120.2131.8169.6166.668.8000107.9V43 L57 L61 F78 E80 I88V43-L86 HydrophobicContact CB-CB 4.33Å; V43-L86 PolarHBondContact N-O 2.9Å; V43-L86 PolarHBondContact O-N 2.95Å; L57-L86 HydrophobicContact CD1-CD2 4.03Å; L57-L86 HydrophobicContact CD2-CD2 4.09Å; L57-L86 HydrophobicContact CG-CD2 4.38Å; L61-L86 HydrophobicContact CD1-CD2 3.79Å; L61-L86 HydrophobicContact CD2-CD2 3.83Å; L61-L86 HydrophobicContact CG-CD2 4.35Å; F78-L86 HydrophobicContact CB-CD1 4.3Å; E80-L86 HydrophobicContact CG-CD1 3.6Å; L86-I88 HydrophobicContact CD2-CD1 4.4Å; L86-I88 HydrophobicContact CD2-CG1 4.3Å; L86-I88 HydrophobicContact CG-CG1 4.17Å
87Y95.7Very high93.2Very high1 Ų134 Ų340%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-112.2125.3175.3-55.8-95.5000108.6G3 L7 I40 K41 V42 F78 I79 V81 K85G3-Y87 WeakPolarHBondContact CA-OH 3.49Å; L7-Y87 HydrophobicContact CD1-CD1 3.65Å; L7-Y87 HydrophobicContact CD1-CE1 3.55Å; L7-Y87 HydrophobicContact CD1-CG 4.4Å; L7-Y87 HydrophobicContact CD2-CD1 4.19Å; L7-Y87 HydrophobicContact CD2-CG 4.17Å; L7-Y87 HydrophobicContact CG-CD1 4.28Å; L7-Y87 HydrophobicContact CG-CE1 4.3Å; I40-Y87 HydrophobicContact CG2-CD1 3.9Å; I40-Y87 HydrophobicContact CG2-CG 4.42Å; K41-Y87 WeakPolarHBondContact O-CA 3.48Å; V42-Y87 HydrophobicContact CB-CD1 4.3Å; V42-Y87 HydrophobicContact CB-CE1 4.24Å; V42-Y87 HydrophobicContact CG1-CD1 4.04Å; V42-Y87 HydrophobicContact CG1-CE1 3.58Å; V42-Y87 HydrophobicContact CG2-CD1 3.76Å; V42-Y87 HydrophobicContact CG2-CE1 3.8Å; F78-Y87 CarbonylContact C-O 3.47Å; F78-Y87 WeakPolarHBondContact CA-O 3.39Å; I79-Y87 PolarHBondContact N-O 3.33Å; I79-Y87 PolarHBondContact O-N 2.92Å; V81-Y87 HydrophobicContact CB-CE2 4.38Å; V81-Y87 HydrophobicContact CG2-CD2 3.73Å; V81-Y87 HydrophobicContact CG2-CE2 3.4Å; V81-Y87 VanDerWaalsContact CG2-CE2 3.4Å; K85-Y87 HydrophobicContact CB-CE2 3.72Å; K85-Y87 VanDerWaalsContact CD-OH 3.26Å; K85-Y87 WeakPolarHBondContact CD-OH 3.43Å
88I96.3Very high93.3Very high2 Ų234.1 Ų34.11%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-108.2105.2176.9-49.5179.1000106.4I40 K41 V43 L61 L64 V75 F78 L86I40-I88 WeakPolarHBondContact CA-O 3.09Å; K41-I88 HydrophobicContact CB-CB 4.24Å; K41-I88 HydrophobicContact CD-CD1 4.42Å; K41-I88 PolarHBondContact N-O 3.47Å; K41-I88 PolarHBondContact O-N 3.4Å; V43-I88 HydrophobicContact CG2-CD1 4.42Å; L61-I88 HydrophobicContact CD2-CD1 3.83Å; L61-I88 HydrophobicContact CD2-CG1 4.38Å; L64-I88 HydrophobicContact CD1-CD1 4.4Å; L64-I88 HydrophobicContact CD1-CG2 4.34Å; V75-I88 HydrophobicContact CG1-CG2 3.71Å; V75-I88 HydrophobicContact CG2-CG2 4.03Å; F78-I88 HydrophobicContact CD1-CB 4.41Å; F78-I88 HydrophobicContact CD1-CG1 4.04Å; F78-I88 HydrophobicContact CD1-CG2 4.05Å; F78-I88 HydrophobicContact CE1-CD1 4.48Å; F78-I88 HydrophobicContact CE1-CG1 4.26Å; F78-I88 HydrophobicContact CE1-CG2 3.77Å; L86-I88 HydrophobicContact CD2-CD1 4.4Å; L86-I88 HydrophobicContact CD2-CG1 4.3Å; L86-I88 HydrophobicContact CG-CG1 4.17Å
89V97.1Very high93.3Very high0 Ų036.2 Ų36.20%021%0.214CC..EExtended strand (participates in β ladder)trans-88.3120.3-178.8-172.30000108.2Y12 Y34 V38 I40 V75 F76 E77 I79Y12-V89 HydrophobicContact CD1-CG1 4.45Å; Y12-V89 HydrophobicContact CE1-CG1 3.67Å; Y12-V89 HydrophobicContact CE1-CG2 4.45Å; Y34-V89 HydrophobicContact CD2-CG1 4.45Å; Y34-V89 HydrophobicContact CE2-CG1 4.19Å; V38-V89 HydrophobicContact CB-CG1 4.24Å; V38-V89 HydrophobicContact CG2-CG1 4.05Å; I40-V89 HydrophobicContact CD1-CG2 4.31Å; I40-V89 HydrophobicContact CG1-CG1 4.36Å; I40-V89 HydrophobicContact CG1-CG2 4.32Å; V75-V89 WeakPolarHBondContact CG1-O 3.26Å; F76-V89 HydrophobicContact CB-CG1 4.41Å; F76-V89 HydrophobicContact CD2-CG1 4.21Å; F76-V89 PolarHBondContact N-O 3.12Å; E77-V89 HydrophobicContact CG-CB 3.83Å; E77-V89 HydrophobicContact CG-CG2 3.74Å; E77-V89 PolarHBondContact N-O 2.82Å; E77-V89 PolarHBondContact O-N 2.95Å; I79-V89 HydrophobicContact CD1-CG2 3.84Å
90M96.8Very high93.5Very high13 Ų1335.6 Ų35.66%0.06421%0.21CC..EExtended strand (participates in β ladder)trans-139166.3-172.164.1-175.2132.900112.1V26 V38 A39 K41 V73 H74 V75 F76 A92V26-M90 HydrophobicContact CG1-CE 4.1Å; V38-M90 WeakPolarHBondContact CB-O 3.48Å; A39-M90 HydrophobicContact CB-CE 4.4Å; A39-M90 HydrophobicContact CB-CG 3.85Å; A39-M90 PolarHBondContact N-O 2.88Å; A39-M90 WeakPolarHBondContact O-CG 3.13Å; A39-M90 PolarHBondContact O-N 3.16Å; K41-M90 HydrophobicContact CB-CE 3.37Å; V73-M90 HydrophobicContact CG2-CB 4.06Å; V73-M90 HydrophobicContact CG2-CG 4.25Å; V73-M90 HydrophobicContact CG2-SD 4.02Å; H74-M90 CarbonylContact O-C 3.55Å; H74-M90 VanDerWaalsContact O-CA 3.25Å; H74-M90 WeakPolarHBondContact O-CA 3.28Å; H74-M90 WeakPolarHBondContact O-CB 3.38Å; V75-M90 HydrophobicContact CG2-CB 4.38Å; F76-M90 VanDerWaalsContact CE2-C 3.45Å; M90-A92 PolarHBondContact O-N 3.17Å
91E94.1Very high93.7Very high42 Ų4230.7 Ų30.720%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-57.2138.2173.869.3-177.8142.500111.2V73 H74 F76 K151V73-E91 WeakPolarHBondContact CA-OE1 3.35Å; V73-E91 HydrophobicContact CG2-CG 3.63Å; H74-E91 HydrophobicContact CB-CG 4.43Å; H74-E91 PolarHBondContact N-OE1 2.82Å; H74-E91 PolarHBondContact O-N 2.84Å; F76-E91 HydrophobicContact CE2-CB 4.22Å; F76-E91 HydrophobicContact CZ-CB 4.22Å; E91-K151 VanDerWaalsContact CD-CE 3.44Å; E91-K151 WeakPolarHBondContact OE1-CD 3.29Å; E91-K151 WeakPolarHBondContact OE1-CE 3.38Å; E91-K151 IonicContact OE1-NZ 2.67Å; E91-K151 PolarHBondContact OE1-NZ 2.78Å; E91-K151 WeakPolarHBondContact OE2-CE 3.34Å; E91-K151 IonicContact OE2-NZ 2.77Å; E91-K151 PolarHBondContact OE2-NZ 3.06Å
92A93.2Very high94.1Very high36 Ų3636.5 Ų36.530%0.29821%0.214SC..  trans-83.9145.2173.800000110.2T37 M90T37-A92 HydrophobicContact CG2-CB 3.91Å; M90-A92 PolarHBondContact O-N 3.17Å
93A90.7Very high94.7Very high35 Ų3537 Ų3729%0.28920%0.197SC..  trans-111.4161.4168.200000110.7L142A93-L142 HydrophobicContact CB-CB 3.49Å; A93-L142 VanDerWaalsContact CB-CB 3.49Å; A93-L142 HydrophobicContact CB-CD1 3.79Å; A93-L142 HydrophobicContact CB-CD2 4.45Å; A93-L142 HydrophobicContact CB-CG 4.11Å
94A90.8Very high95.2Very high63 Ų6338.7 Ų38.752%0.52121%0.206SC..SBendtrans-80.5-42.2179.700000111.9L143 P145A94-L143 PolarHBondContact N-O 3.43Å; A94-L143 VanDerWaalsContact N-O 3.12Å; A94-P145 HydrophobicContact CB-CB 4.22Å; A94-P145 HydrophobicContact CB-CG 4.14Å
95T95Very high95.5Very high18 Ų1840.2 Ų40.211%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-154.3179.7179.6-166.20000109.9Q99 L143 E147T95-Q99 VanDerWaalsContact OG1-CB 3.23Å; T95-Q99 WeakPolarHBondContact OG1-CB 3.33Å; T95-Q99 PolarHBondContact OG1-OE1 2.95Å; T95-Q99 VanDerWaalsContact OG1-OE1 3.12Å; T95-L143 HydrophobicContact CG2-CB 4.09Å; T95-L143 HydrophobicContact CG2-CD1 4.26Å; T95-L143 PolarHBondContact O-N 3.42Å; T95-E147 HydrophobicContact CG2-CG 4.46Å
96D96.5Very high95.6Very high25 Ų2543 Ų4313%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-110.1166.1169.762.658000110.8L98 Q99 A100 V141 L142D96-L98 VanDerWaalsContact C-N 3.25Å; D96-L98 PolarHBondContact O-N 3.03Å; D96-L98 WeakPolarHBondContact OD1-CA 3.44Å; D96-L98 WeakPolarHBondContact OD1-CB 3.43Å; D96-L98 PolarHBondContact OD1-N 3.34Å; D96-Q99 PolarHBondContact O-N 3.26Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.36Å; D96-Q99 PolarHBondContact OD1-N 3.28Å; D96-Q99 PolarHBondContact OD2-NE2 2.9Å; D96-A100 PolarHBondContact O-N 2.96Å; D96-A100 VanDerWaalsContact O-N 3.12Å; D96-V141 CarbonylContact C-O 3.6Å; D96-V141 WeakPolarHBondContact CA-O 3.44Å; D96-L142 HydrophobicContact CB-CD2 4.1Å
97L98Very high95.7Very high1 Ų143 Ų431%0.00523%0.231CC..Hα-helixtrans-64.7-31.3-177-177.364.9000112.1A100 V101 I107 I119 C138 V141 L143 V201 M205L97-A100 PolarHBondContact O-N 3.01Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.4Å; L97-V101 PolarHBondContact O-N 3.03Å; L97-I107 HydrophobicContact CD1-CD1 4.45Å; L97-I107 HydrophobicContact CD1-CG1 4.16Å; L97-I119 HydrophobicContact CD2-CD1 4.41Å; L97-C138 HydrophobicContact CB-CB 4.25Å; L97-C138 WeakPolarHBondContact CB-O 3.3Å; L97-C138 HydrophobicContact CD2-CB 4.42Å; L97-C138 HydrophobicContact CG-CB 4.39Å; L97-C138 PolarHBondContact N-O 3.37Å; L97-V141 HydrophobicContact CB-CB 3.84Å; L97-V141 HydrophobicContact CB-CG1 4.01Å; L97-V141 WeakPolarHBondContact CB-O 3.4Å; L97-V141 HydrophobicContact CD2-CB 3.99Å; L97-V141 HydrophobicContact CD2-CG1 3.91Å; L97-V141 HydrophobicContact CD2-CG2 4.32Å; L97-V141 PolarHBondContact N-O 2.92Å; L97-L143 HydrophobicContact CD1-CD1 4.27Å; L97-V201 HydrophobicContact CD2-CG1 3.7Å; L97-M205 HydrophobicContact CD1-CE 4.45Å; L97-M205 HydrophobicContact CD1-CG 4.06Å; L97-M205 HydrophobicContact CD1-SD 4.49Å; L97-M205 HydrophobicContact CD2-CG 3.61Å; L97-M205 HydrophobicContact CD2-SD 3.7Å; L97-M205 HydrophobicContact CG-CG 4.13Å
98L97.2Very high95.5Very high43 Ų4346.5 Ų46.523%0.22525%0.254CS..Hα-helixtrans-66.2-48.3179.3-17860.8000110.6D96 A100 V101 Q102 C138 E139D96-L98 VanDerWaalsContact C-N 3.25Å; D96-L98 PolarHBondContact O-N 3.03Å; D96-L98 WeakPolarHBondContact OD1-CA 3.44Å; D96-L98 WeakPolarHBondContact OD1-CB 3.43Å; D96-L98 PolarHBondContact OD1-N 3.34Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 3.16Å; L98-V101 PolarHBondContact O-N 3.04Å; L98-Q102 HydrophobicContact CD1-CG 4.41Å; L98-Q102 HydrophobicContact CG-CG 4.47Å; L98-Q102 WeakPolarHBondContact O-CB 3.31Å; L98-Q102 VanDerWaalsContact O-CG 3.3Å; L98-Q102 WeakPolarHBondContact O-CG 3.44Å; L98-Q102 PolarHBondContact O-N 3.44Å; L98-C138 HydrophobicContact CB-CB 3.69Å; L98-C138 HydrophobicContact CD1-CB 4.33Å; L98-E139 HydrophobicContact CB-CG 4.23Å; L98-E139 HydrophobicContact CD2-CG 3.63Å
99Q96.6Very high95.3Very high95 Ų9548.3 Ų48.344%0.44427%0.273SS..Hα-helixtrans-60-40.3175.5-73.1178.448.500111.6T95 D96 Q102 R103T95-Q99 VanDerWaalsContact OG1-CB 3.23Å; T95-Q99 WeakPolarHBondContact OG1-CB 3.33Å; T95-Q99 PolarHBondContact OG1-OE1 2.95Å; T95-Q99 VanDerWaalsContact OG1-OE1 3.12Å; D96-Q99 PolarHBondContact O-N 3.26Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.36Å; D96-Q99 PolarHBondContact OD1-N 3.28Å; D96-Q99 PolarHBondContact OD2-NE2 2.9Å; Q99-Q102 PolarHBondContact O-N 3.47Å; Q99-R103 WeakPolarHBondContact O-CB 3.26Å; Q99-R103 PolarHBondContact O-N 3.19Å
100A97.4Very high95.1Very high0 Ų052.6 Ų52.60%030%0.299CS..Hα-helixtrans-64.1-41.4176.200000112.3D96 L97 L98 N104 I107 L143D96-A100 PolarHBondContact O-N 2.96Å; D96-A100 VanDerWaalsContact O-N 3.12Å; L97-A100 PolarHBondContact O-N 3.01Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 3.16Å; A100-N104 WeakPolarHBondContact O-CB 3.46Å; A100-N104 PolarHBondContact O-N 3.11Å; A100-N104 VanDerWaalsContact O-N 3.15Å; A100-N104 PolarHBondContact O-ND2 3.18Å; A100-I107 HydrophobicContact CB-CD1 4.17Å; A100-L143 HydrophobicContact CB-CD1 3.61Å
101V97.9Very high95Very high4 Ų454.4 Ų54.42%0.02431%0.307CS..Hα-helixtrans-64.2-48.6173.8169.60000110.7L97 L98 R103 N104 G105 I107 V204L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.4Å; L97-V101 PolarHBondContact O-N 3.03Å; L98-V101 PolarHBondContact O-N 3.04Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 2.89Å; V101-N104 PolarHBondContact O-N 2.79Å; V101-G105 CarbonylContact O-C 3.56Å; V101-G105 VanDerWaalsContact O-C 3.28Å; V101-G105 VanDerWaalsContact O-CA 3.29Å; V101-G105 WeakPolarHBondContact O-CA 3.4Å; V101-G105 PolarHBondContact O-N 3.41Å; V101-I107 HydrophobicContact CG2-CD1 3.9Å; V101-I107 HydrophobicContact CG2-CG1 3.83Å; V101-V204 HydrophobicContact CG1-CG1 4.21Å
102Q96.9Very high95.1Very high135 Ų13552.4 Ų52.463%0.63130%0.298SS*.Hα-helixtrans-58.5-39.9179.3-74.3173.8-16.900112.6L98 Q99L98-Q102 HydrophobicContact CD1-CG 4.41Å; L98-Q102 HydrophobicContact CG-CG 4.47Å; L98-Q102 WeakPolarHBondContact O-CB 3.31Å; L98-Q102 VanDerWaalsContact O-CG 3.3Å; L98-Q102 WeakPolarHBondContact O-CG 3.44Å; L98-Q102 PolarHBondContact O-N 3.44Å; Q99-Q102 PolarHBondContact O-N 3.47Å
103R96.6Very high95.3Very high141 Ų14152.4 Ų52.453%0.53229%0.29SS..Hα-helixtrans-69.2-37.8178.3-174.4-174.964.5-140.1-14.4112.6Q99 V101 E147Q99-R103 WeakPolarHBondContact O-CB 3.26Å; Q99-R103 PolarHBondContact O-N 3.19Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 2.89Å; R103-E147 IonicContact CZ-OE1 2.95Å; R103-E147 IonicContact CZ-OE2 2.73Å; R103-E147 IonicContact NH1-OE1 3.18Å; R103-E147 PolarHBondContact NH1-OE1 2.96Å; R103-E147 IonicContact NH2-OE1 3.87Å; R103-E147 PolarHBondContact NH2-OE1 2.87Å; R103-E147 IonicContact NH2-OE2 3.85Å; R103-E147 PolarHBondContact NH2-OE2 3.35Å
104N95Very high95.6Very high80 Ų8054 Ų5443%0.42829%0.294SS..Hα-helixtrans-100.3-5.7-172.5-65.5-42.4000113.7A100 V101 R106A100-N104 WeakPolarHBondContact O-CB 3.46Å; A100-N104 PolarHBondContact O-N 3.11Å; A100-N104 VanDerWaalsContact O-N 3.15Å; A100-N104 PolarHBondContact O-ND2 3.18Å; V101-N104 PolarHBondContact O-N 2.79Å; N104-R106 WeakPolarHBondContact CB-O 3.38Å; N104-R106 PolarHBondContact O-N 3.23Å
105G96.3Very high95.9Very high46 Ų4651 Ų5147%0.47427%0.269SS..SBendtrans75.8-53.1-165.900000112.1V101 G208V101-G105 CarbonylContact O-C 3.56Å; V101-G105 VanDerWaalsContact O-C 3.28Å; V101-G105 VanDerWaalsContact O-CA 3.29Å; V101-G105 WeakPolarHBondContact O-CA 3.4Å; V101-G105 PolarHBondContact O-N 3.41Å; G105-G208 WeakPolarHBondContact O-CA 3.34Å
106R95.6Very high96.1Very high122 Ų12250.2 Ų50.246%0.4626%0.264SS..SBendtrans-148.4163.417262173.1-180-107.17.8110.8N104 V206 L234N104-R106 WeakPolarHBondContact CB-O 3.38Å; N104-R106 PolarHBondContact O-N 3.23Å; R106-V206 WeakPolarHBondContact CD-O 3.47Å; R106-L234 VanDerWaalsContact CZ-CD1 3.43Å
107I96.6Very high96.1Very high2 Ų250.9 Ų50.91%0.0127%0.274CS..  trans-81128.3170.4-52.5-48.8000109.2L97 A100 V101 Q111 A112 L115 M205L97-I107 HydrophobicContact CD1-CD1 4.45Å; L97-I107 HydrophobicContact CD1-CG1 4.16Å; A100-I107 HydrophobicContact CB-CD1 4.17Å; V101-I107 HydrophobicContact CG2-CD1 3.9Å; V101-I107 HydrophobicContact CG2-CG1 3.83Å; I107-Q111 HydrophobicContact CG2-CB 3.85Å; I107-Q111 HydrophobicContact CG2-CG 3.79Å; I107-A112 HydrophobicContact CB-CB 4.01Å; I107-A112 HydrophobicContact CG2-CB 3.86Å; I107-L115 HydrophobicContact CG2-CD1 4.25Å; I107-M205 HydrophobicContact CG1-CB 4.32Å; I107-M205 PolarHBondContact N-O 3.05Å
108P91.9Very high96.1Very high74 Ų7452.4 Ų52.448%0.48128%0.28SS..  trans-56.2141.7176.5-26.134.7000112.9V110 Q111 A112P108-V110 PolarHBondContact O-N 3.24Å; P108-V110 VanDerWaalsContact O-N 3.14Å; P108-Q111 CarbonylContact O-C 3.58Å; P108-Q111 WeakPolarHBondContact O-CA 3.31Å; P108-Q111 WeakPolarHBondContact O-CB 3.45Å; P108-Q111 PolarHBondContact O-N 2.97Å; P108-A112 PolarHBondContact O-N 3Å
109G90.9Very high96.2Very high40 Ų4050.4 Ų50.441%0.41227%0.27SS..Hα-helixtrans-51.3-44.8-166.500000115.8A112 R113G109-A112 PolarHBondContact O-N 2.94Å; G109-R113 WeakPolarHBondContact O-CB 3.2Å; G109-R113 PolarHBondContact O-N 2.95Å
110V92.6Very high96.3Very high89 Ų8945.9 Ų45.954%0.53925%0.249SC..Hα-helixtrans-62.3-47.3176.7176.10000111.3P108 R113 D114P108-V110 PolarHBondContact O-N 3.24Å; P108-V110 VanDerWaalsContact O-N 3.14Å; V110-R113 PolarHBondContact O-N 2.74Å; V110-D114 PolarHBondContact O-N 3.02Å
111Q95.2Very high96.3Very high51 Ų5147 Ų4724%0.23826%0.26CS..Hα-helixtrans-66.5-40.7178-174.1179.917.700111.1I107 P108 R113 D114 L115 E147I107-Q111 HydrophobicContact CG2-CB 3.85Å; I107-Q111 HydrophobicContact CG2-CG 3.79Å; P108-Q111 CarbonylContact O-C 3.58Å; P108-Q111 WeakPolarHBondContact O-CA 3.31Å; P108-Q111 WeakPolarHBondContact O-CB 3.45Å; P108-Q111 PolarHBondContact O-N 2.97Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.18Å; Q111-D114 PolarHBondContact O-N 2.77Å; Q111-L115 HydrophobicContact CG-CD1 3.91Å; Q111-L115 HydrophobicContact CG-CG 4.22Å; Q111-L115 WeakPolarHBondContact O-CB 3.44Å; Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.22Å; Q111-L115 PolarHBondContact O-N 2.93Å; Q111-E147 PolarHBondContact NE2-O 3.15Å
112A96.8Very high96.3Very high0 Ų046.8 Ų46.80%026%0.259CS..Hα-helixtrans-61-44.6178.500000111.1I107 P108 G109 F116 M205 V206I107-A112 HydrophobicContact CB-CB 4.01Å; I107-A112 HydrophobicContact CG2-CB 3.86Å; P108-A112 PolarHBondContact O-N 3Å; G109-A112 PolarHBondContact O-N 2.94Å; A112-F116 WeakPolarHBondContact O-CB 3.25Å; A112-F116 PolarHBondContact O-N 3.31Å; A112-M205 HydrophobicContact CB-CE 4.16Å; A112-M205 VanDerWaalsContact O-CE 3.25Å; A112-M205 WeakPolarHBondContact O-CE 3.41Å; A112-V206 HydrophobicContact CB-CG1 3.82Å
113R96.4Very high96.4Very high37 Ų3740.4 Ų40.414%0.1423%0.229CC..Hα-helixtrans-58.5-50.6173.8-177-164.863.9-147.23.7111.7G109 V110 Q111 L115 F116 A117 W266 L267G109-R113 WeakPolarHBondContact O-CB 3.2Å; G109-R113 PolarHBondContact O-N 2.95Å; V110-R113 PolarHBondContact O-N 2.74Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.18Å; R113-L115 PolarHBondContact O-N 3.22Å; R113-F116 PolarHBondContact O-N 2.8Å; R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.12Å; R113-W266 HydrophobicContact CB-CH2 3.6Å; R113-W266 HydrophobicContact CB-CZ2 3.61Å; R113-W266 HydrophobicContact CB-CZ3 4.11Å; R113-W266 VanDerWaalsContact CD-O 3.22Å; R113-W266 WeakPolarHBondContact CD-O 3.21Å; R113-W266 HydrophobicContact CG-CD2 4.22Å; R113-W266 HydrophobicContact CG-CE3 4.2Å; R113-W266 HydrophobicContact CG-CH2 4.09Å; R113-W266 HydrophobicContact CG-CZ2 4.07Å; R113-W266 HydrophobicContact CG-CZ3 4.15Å; R113-L267 HydrophobicContact CG-CD2 4.18Å
114D96.4Very high96.5Very high67 Ų6738.3 Ų38.336%0.35822%0.221SC..Hα-helixtrans-65.9-40.8-175.4-64.9-8.6000111.4V110 Q111 Q118V110-D114 PolarHBondContact O-N 3.02Å; Q111-D114 PolarHBondContact O-N 2.77Å; D114-Q118 WeakPolarHBondContact O-CG 3.26Å; D114-Q118 PolarHBondContact O-N 3.42Å; D114-Q118 PolarHBondContact O-NE2 3.4Å
115L97.9Very high96.7Very high2 Ų236.5 Ų36.51%0.0121%0.209CC..Hα-helixtrans-67.1-42.6174.1-67.1176.1000111.5I107 Q111 R113 A117 Q118 I119 L143 V150 M205I107-L115 HydrophobicContact CG2-CD1 4.25Å; Q111-L115 HydrophobicContact CG-CD1 3.91Å; Q111-L115 HydrophobicContact CG-CG 4.22Å; Q111-L115 WeakPolarHBondContact O-CB 3.44Å; Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.22Å; Q111-L115 PolarHBondContact O-N 2.93Å; R113-L115 PolarHBondContact O-N 3.22Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.41Å; L115-Q118 WeakPolarHBondContact O-CB 3.47Å; L115-Q118 PolarHBondContact O-N 2.82Å; L115-Q118 VanDerWaalsContact O-N 3.13Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.39Å; L115-L143 HydrophobicContact CD1-CD2 4.21Å; L115-L143 HydrophobicContact CD2-CD2 4.01Å; L115-V150 HydrophobicContact CB-CG2 4.05Å; L115-V150 HydrophobicContact CD2-CG2 3.79Å; L115-V150 HydrophobicContact CG-CG2 4.48Å; L115-M205 HydrophobicContact CB-CE 3.79Å; L115-M205 HydrophobicContact CD1-CE 4.47Å
116F98.4Very high96.8Very high0 Ų034.4 Ų34.40%019%0.187CC..Hα-helixtrans-67.7-33.5179.6-168.3-98.8000112.5A112 R113 Q118 I119 A120 M198 L202 M205 L243 L247 V261 W266 L267A112-F116 WeakPolarHBondContact O-CB 3.25Å; A112-F116 PolarHBondContact O-N 3.31Å; R113-F116 PolarHBondContact O-N 2.8Å; F116-Q118 PolarHBondContact O-N 2.75Å; F116-I119 HydrophobicContact CD2-CD1 4.27Å; F116-I119 PolarHBondContact O-N 2.73Å; F116-A120 HydrophobicContact CE1-CB 4.49Å; F116-A120 WeakPolarHBondContact O-CB 3.38Å; F116-A120 PolarHBondContact O-N 3.41Å; F116-M198 HydrophobicContact CE2-CB 4.08Å; F116-M198 VanDerWaalsContact CE2-O 3.29Å; F116-M198 WeakPolarHBondContact CE2-O 3.03Å; F116-M198 HydrophobicContact CZ-CB 3.99Å; F116-L202 HydrophobicContact CB-CD1 4.1Å; F116-L202 HydrophobicContact CD1-CD1 4.33Å; F116-L202 HydrophobicContact CD1-CD2 4.17Å; F116-L202 HydrophobicContact CD2-CB 3.77Å; F116-L202 HydrophobicContact CD2-CD1 3.99Å; F116-L202 HydrophobicContact CD2-CG 4.31Å; F116-L202 HydrophobicContact CE1-CD2 3.99Å; F116-L202 HydrophobicContact CE2-CB 3.56Å; F116-L202 HydrophobicContact CE2-CD2 4.44Å; F116-L202 HydrophobicContact CE2-CG 4.39Å; F116-L202 HydrophobicContact CG-CB 4.38Å; F116-L202 HydrophobicContact CG-CD1 3.86Å; F116-L202 HydrophobicContact CG-CD2 4.43Å; F116-L202 HydrophobicContact CG-CG 4.45Å; F116-L202 HydrophobicContact CZ-CB 3.96Å; F116-L202 HydrophobicContact CZ-CD2 4.12Å; F116-M205 HydrophobicContact CB-CE 4.27Å; F116-M205 HydrophobicContact CD2-SD 4.26Å; F116-L243 HydrophobicContact CD1-CD2 4.36Å; F116-L243 HydrophobicContact CE1-CD2 4.03Å; F116-L247 HydrophobicContact CE1-CD1 4.17Å; F116-L247 HydrophobicContact CZ-CD1 3.74Å; F116-V261 HydrophobicContact CE1-CG1 4.14Å; F116-W266 HydrophobicContact CB-CZ3 4.5Å; F116-W266 HydrophobicContact CD1-CZ3 4.42Å; F116-L267 HydrophobicContact CD1-CD1 4.23Å; F116-L267 HydrophobicContact CD1-CD2 3.87Å
117A97.8Very high96.9Very high40 Ų4029 Ų2933%0.33117%0.167SC..Hα-helixtrans-59.4-38171.900000111.7R113 L115 G121 L267R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.12Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.41Å; A117-G121 PolarHBondContact O-N 2.93Å; A117-L267 HydrophobicContact CB-CD2 4.28Å
118Q98.1Very high96.9Very high32 Ų3233.3 Ų33.315%0.1519%0.19CC..Hα-helixtrans-69.6-41.2175.7-62.8172.93600112.2H71 D114 L115 F116 G121 A122 R148 R149 V150H71-Q118 HydrophobicContact CB-CB 4.42Å; H71-Q118 VanDerWaalsContact CE1-CG 3.48Å; H71-Q118 WeakPolarHBondContact CE1-CG 3.46Å; H71-Q118 PolarHBondContact CE1-OE1 3.35Å; H71-Q118 PolarHBondContact ND1-OE1 3.46Å; H71-Q118 VanDerWaalsContact ND1-OE1 3.08Å; D114-Q118 WeakPolarHBondContact O-CG 3.26Å; D114-Q118 PolarHBondContact O-N 3.42Å; D114-Q118 PolarHBondContact O-NE2 3.4Å; L115-Q118 WeakPolarHBondContact O-CB 3.47Å; L115-Q118 PolarHBondContact O-N 2.82Å; L115-Q118 VanDerWaalsContact O-N 3.13Å; F116-Q118 PolarHBondContact O-N 2.75Å; Q118-G121 PolarHBondContact O-N 2.86Å; Q118-A122 WeakPolarHBondContact O-CB 3.16Å; Q118-A122 PolarHBondContact O-N 3.16Å; Q118-R148 PolarHBondContact NE2-O 3.29Å; Q118-R149 VanDerWaalsContact OE1-CA 3.25Å; Q118-V150 HydrophobicContact CB-CB 4.11Å; Q118-V150 HydrophobicContact CB-CG2 4.41Å
119I98.8Very high97.1Very high2 Ų234.7 Ų34.71%0.0119%0.19CC..Hα-helixtrans-59-53.3173.3-64.9166.9000109.7L97 L115 F116 G121 A122 V123 V141 V150 L152 M198 V201 M205L97-I119 HydrophobicContact CD2-CD1 4.41Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.39Å; F116-I119 HydrophobicContact CD2-CD1 4.27Å; F116-I119 PolarHBondContact O-N 2.73Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.82Å; I119-A122 PolarHBondContact O-N 3.33Å; I119-A122 VanDerWaalsContact O-N 3.12Å; I119-V123 HydrophobicContact CG2-CG2 4.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.36Å; I119-V141 HydrophobicContact CD1-CG1 3.88Å; I119-V141 HydrophobicContact CD1-CG2 4.23Å; I119-V141 HydrophobicContact CG1-CG1 4.11Å; I119-V150 HydrophobicContact CD1-CG2 4.47Å; I119-V150 HydrophobicContact CG1-CB 4.42Å; I119-V150 HydrophobicContact CG1-CG1 3.83Å; I119-V150 HydrophobicContact CG1-CG2 4.05Å; I119-L152 HydrophobicContact CG2-CD2 4.5Å; I119-M198 HydrophobicContact CG2-CG 4.28Å; I119-M198 HydrophobicContact CG2-SD 4.32Å; I119-V201 HydrophobicContact CD1-CG1 4.06Å; I119-M205 HydrophobicContact CD1-SD 4.1Å
120A98.5Very high97.4Very high0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-59.3-39.9179.700000111.9F116 R124 V261 L267F116-A120 HydrophobicContact CE1-CB 4.49Å; F116-A120 WeakPolarHBondContact O-CB 3.38Å; F116-A120 PolarHBondContact O-N 3.41Å; A120-R124 VanDerWaalsContact O-CB 3.22Å; A120-R124 WeakPolarHBondContact O-CB 3.46Å; A120-R124 PolarHBondContact O-N 3.4Å; A120-V261 HydrophobicContact CB-CG1 4.05Å; A120-L267 HydrophobicContact CB-CD1 4.26Å
121G98.2Very high97.6Very high23 Ų2333.5 Ų33.524%0.23717%0.168CC..Hα-helixtrans-61.7-45173.800000113A117 Q118 I119 Y125A117-G121 PolarHBondContact O-N 2.93Å; Q118-G121 PolarHBondContact O-N 2.86Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.82Å; G121-Y125 PolarHBondContact O-N 3.37Å
122A98.6Very high97.7Very high0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-65.3-44177.300000112.6H71 I72 Q118 I119 Y125 L126 L152H71-A122 HydrophobicContact CB-CB 4.02Å; I72-A122 HydrophobicContact CD1-CB 4.47Å; I72-A122 HydrophobicContact CG1-CB 4Å; Q118-A122 WeakPolarHBondContact O-CB 3.16Å; Q118-A122 PolarHBondContact O-N 3.16Å; I119-A122 PolarHBondContact O-N 3.33Å; I119-A122 VanDerWaalsContact O-N 3.12Å; A122-Y125 WeakPolarHBondContact O-CB 3.35Å; A122-Y125 PolarHBondContact O-N 2.78Å; A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 3.36Å; A122-L152 HydrophobicContact CB-CD1 3.58Å; A122-L152 HydrophobicContact CB-CG 4.03Å
123V98.7Very high97.8Very high0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-67.2-40.6178.1176.60000111I119 Y125 L126 H127 L136 L152 D194 M198 A258I119-V123 HydrophobicContact CG2-CG2 4.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.36Å; V123-Y125 VanDerWaalsContact C-N 3.35Å; V123-Y125 PolarHBondContact O-N 2.94Å; V123-L126 WeakPolarHBondContact O-CB 3.42Å; V123-L126 PolarHBondContact O-N 3.17Å; V123-H127 PolarHBondContact O-CD2 3.05Å; V123-H127 PolarHBondContact O-N 3Å; V123-L136 HydrophobicContact CG1-CD1 4.43Å; V123-L136 HydrophobicContact CG2-CD1 3.66Å; V123-L136 HydrophobicContact CG2-CD2 4.25Å; V123-L152 HydrophobicContact CG2-CD1 3.9Å; V123-D194 HydrophobicContact CG1-CB 4.24Å; V123-M198 HydrophobicContact CB-CE 4.43Å; V123-M198 HydrophobicContact CB-SD 3.68Å; V123-M198 HydrophobicContact CG1-CE 4.04Å; V123-M198 HydrophobicContact CG1-SD 3.84Å; V123-M198 HydrophobicContact CG2-CG 4.15Å; V123-M198 HydrophobicContact CG2-SD 3.66Å; V123-A258 HydrophobicContact CG1-CB 4.1Å
124R98.2Very high97.8Very high97 Ų9729.4 Ų29.437%0.36615%0.15SC..Hα-helixtrans-56.7-49.6171176.1-169164.6-176.7-6.1110.9A120 L126 H127 D128 A258A120-R124 VanDerWaalsContact O-CB 3.22Å; A120-R124 WeakPolarHBondContact O-CB 3.46Å; A120-R124 PolarHBondContact O-N 3.4Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.83Å; R124-H127 PolarHBondContact O-N 2.96Å; R124-H127 VanDerWaalsContact O-N 3.13Å; R124-D128 WeakPolarHBondContact CG-OD2 3.14Å; R124-D128 IonicContact NE-OD2 3.83Å; R124-D128 PolarHBondContact NE-OD2 2.67Å; R124-D128 IonicContact NH2-OD2 2.76Å; R124-D128 WeakPolarHBondContact O-CB 3.5Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.77Å; R124-A258 HydrophobicContact CB-CB 4.14Å
125Y98.5Very high97.8Very high43 Ų4326.3 Ų26.317%0.16913%0.134CC..Hα-helixtrans-54.3-46.2177.9165.8-91.8000111.5V67 R68 H69 I72 G121 A122 V123 H129V67-Y125 HydrophobicContact CB-CE1 4.16Å; V67-Y125 HydrophobicContact CG1-CE1 4.23Å; R68-Y125 PolarHBondContact N-OH 2.89Å; R68-Y125 PolarHBondContact O-OH 3.02Å; H69-Y125 HydrophobicContact CB-CD1 3.88Å; H69-Y125 HydrophobicContact CB-CE1 3.99Å; H69-Y125 HydrophobicContact CB-CG 4.18Å; H69-Y125 AromaticContact CD2-CD2 3.95Å; H69-Y125 AromaticContact CD2-CG 3.7Å; I72-Y125 HydrophobicContact CD1-CD1 3.65Å; I72-Y125 HydrophobicContact CD1-CE1 3.99Å; G121-Y125 PolarHBondContact O-N 3.37Å; A122-Y125 WeakPolarHBondContact O-CB 3.35Å; A122-Y125 PolarHBondContact O-N 2.78Å; V123-Y125 VanDerWaalsContact C-N 3.35Å; V123-Y125 PolarHBondContact O-N 2.94Å; Y125-H129 AromaticContact CD2-CE1 3.55Å; Y125-H129 AromaticContact CD2-ND1 3.75Å; Y125-H129 AromaticContact CE2-CE1 3.2Å; Y125-H129 WeakPolarHBondContact CE2-CE1 3.19Å; Y125-H129 AromaticContact CE2-ND1 3.62Å; Y125-H129 AromaticContact CE2-NE2 3.87Å; Y125-H129 AromaticContact CZ-CE1 3.85Å; Y125-H129 AromaticContact CZ-ND1 3.97Å; Y125-H129 PolarHBondContact O-N 3.33Å; Y125-H129 PolarHBondContact O-ND1 3.01Å
126L98.3Very high97.9Very high1 Ų126.3 Ų26.31%0.00513%0.134CC..Hα-helixtrans-59.4-50.5175.7-69167.9000111.3V67 I72 A122 V123 R124 D128 H129 H130 L131 L152 F155V67-L126 HydrophobicContact CG1-CD2 3.77Å; I72-L126 HydrophobicContact CD1-CD1 4.23Å; I72-L126 HydrophobicContact CD1-CD2 3.82Å; I72-L126 HydrophobicContact CD1-CG 3.83Å; A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 3.36Å; V123-L126 WeakPolarHBondContact O-CB 3.42Å; V123-L126 PolarHBondContact O-N 3.17Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.83Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.19Å; L126-H129 CarbonylContact O-C 3.28Å; L126-H129 WeakPolarHBondContact O-CA 3.44Å; L126-H129 PolarHBondContact O-N 2.93Å; L126-H130 PolarHBondContact O-N 3.43Å; L126-L131 CarbonylContact C-O 3.57Å; L126-L131 HydrophobicContact CB-CB 4.22Å; L126-L131 HydrophobicContact CD2-CB 4.08Å; L126-L131 HydrophobicContact CD2-CD1 4.25Å; L126-L131 WeakPolarHBondContact O-CA 3.22Å; L126-L131 WeakPolarHBondContact O-CB 3.42Å; L126-L131 PolarHBondContact O-N 3.42Å; L126-L131 VanDerWaalsContact O-O 3.11Å; L126-L152 HydrophobicContact CD1-CD1 4.43Å; L126-F155 HydrophobicContact CD1-CE1 3.71Å; L126-F155 HydrophobicContact CD1-CZ 4.24Å; L126-F155 HydrophobicContact CD2-CE1 3.85Å; L126-F155 HydrophobicContact CD2-CZ 4.4Å; L126-F155 HydrophobicContact CG-CE1 4.44Å
127H97.7Very high97.8Very high9 Ų927.9 Ų27.94%0.04214%0.141CC..Hα-helixtrans-64-37.5-176.8-72.6-168.4000112.8V123 R124 H129 H130 L131 K191 D194 A258V123-H127 PolarHBondContact O-CD2 3.05Å; V123-H127 PolarHBondContact O-N 3Å; R124-H127 PolarHBondContact O-N 2.96Å; R124-H127 VanDerWaalsContact O-N 3.13Å; H127-H129 PolarHBondContact O-N 3.02Å; H127-H130 PolarHBondContact O-N 2.93Å; H127-L131 PolarHBondContact CD2-O 2.85Å; H127-L131 VanDerWaalsContact CD2-O 3.3Å; H127-L131 PolarHBondContact N-O 2.75Å; H127-K191 HydrophobicContact CB-CD 4.23Å; H127-K191 PolarHBondContact CE1-O 3.12Å; H127-K191 VanDerWaalsContact CE1-O 3.24Å; H127-K191 WeakPolarHBondContact O-CE 3.35Å; H127-K191 PolarHBondContact O-NZ 2.95Å; H127-D194 IonicContact CD2-OD2 3.34Å; H127-D194 IonicContact CE1-OD2 2.74Å; H127-D194 WeakPolarHBondContact NE2-CB 3.48Å; H127-D194 IonicContact NE2-OD2 3.43Å; H127-D194 PolarHBondContact NE2-OD2 3.36Å; H127-A258 WeakPolarHBondContact ND1-CB 3.31Å
128D96.7Very high97.8Very high93 Ų9326 Ų2650%0.49713%0.125SC..Hα-helixtrans-65-26.9175.5-71.7-9.2000111R124 L126R124-D128 WeakPolarHBondContact CG-OD2 3.14Å; R124-D128 IonicContact NE-OD2 3.83Å; R124-D128 PolarHBondContact NE-OD2 2.67Å; R124-D128 IonicContact NH2-OD2 2.76Å; R124-D128 WeakPolarHBondContact O-CB 3.5Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.77Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.19Å
129H96.8Very high97.8Very high103 Ų10327.6 Ų27.648%0.47713%0.133SC..THydrogen-bonded Turntrans-94.116.5172.8-67.577.4000113.4Y125 L126 H127 L131Y125-H129 AromaticContact CD2-CE1 3.55Å; Y125-H129 AromaticContact CD2-ND1 3.75Å; Y125-H129 AromaticContact CE2-CE1 3.2Å; Y125-H129 WeakPolarHBondContact CE2-CE1 3.19Å; Y125-H129 AromaticContact CE2-ND1 3.62Å; Y125-H129 AromaticContact CE2-NE2 3.87Å; Y125-H129 AromaticContact CZ-CE1 3.85Å; Y125-H129 AromaticContact CZ-ND1 3.97Å; Y125-H129 PolarHBondContact O-N 3.33Å; Y125-H129 PolarHBondContact O-ND1 3.01Å; L126-H129 CarbonylContact O-C 3.28Å; L126-H129 WeakPolarHBondContact O-CA 3.44Å; L126-H129 PolarHBondContact O-N 2.93Å; H127-H129 PolarHBondContact O-N 3.02Å; H129-L131 HydrophobicContact CB-CG 4.46Å; H129-L131 PolarHBondContact O-N 2.91Å
130H96.6Very high97.7Very high78 Ų7828 Ų2836%0.36113%0.134SC..THydrogen-bonded Turntrans56.631-176.2-54.4-73.9000113.8L126 H127 Q160 A161 H162L126-H130 PolarHBondContact O-N 3.43Å; H127-H130 PolarHBondContact O-N 2.93Å; H130-Q160 HydrophobicContact CB-CG 4.29Å; H130-Q160 CarbonylContact O-C 3.58Å; H130-Q160 WeakPolarHBondContact O-CA 3.46Å; H130-Q160 WeakPolarHBondContact O-CG 3.47Å; H130-A161 CarbonylContact C-O 3.39Å; H130-A161 WeakPolarHBondContact CA-O 3.41Å; H130-A161 PolarHBondContact O-N 2.89Å; H130-H162 AromaticContact CE1-ND1 3.99Å; H130-H162 AromaticContact CG-ND1 3.74Å; H130-H162 AromaticContact ND1-ND1 3.62Å
131L97.3Very high97.7Very high26 Ų2628 Ų2814%0.13614%0.135CC..EExtended strand (participates in β ladder)trans-108.8146.8174.3-61.9177.8000110I63 V67 L126 H127 H129 Q160I63-L131 HydrophobicContact CD1-CD2 4.49Å; I63-L131 HydrophobicContact CG1-CD1 4.46Å; I63-L131 HydrophobicContact CG1-CD2 3.94Å; I63-L131 HydrophobicContact CG2-CD1 4.27Å; V67-L131 HydrophobicContact CG1-CD1 3.67Å; L126-L131 CarbonylContact C-O 3.57Å; L126-L131 HydrophobicContact CB-CB 4.22Å; L126-L131 HydrophobicContact CD2-CB 4.08Å; L126-L131 HydrophobicContact CD2-CD1 4.25Å; L126-L131 WeakPolarHBondContact O-CA 3.22Å; L126-L131 WeakPolarHBondContact O-CB 3.42Å; L126-L131 PolarHBondContact O-N 3.42Å; L126-L131 VanDerWaalsContact O-O 3.11Å; H127-L131 PolarHBondContact CD2-O 2.85Å; H127-L131 VanDerWaalsContact CD2-O 3.3Å; H127-L131 PolarHBondContact N-O 2.75Å; H129-L131 HydrophobicContact CB-CG 4.46Å; H129-L131 PolarHBondContact O-N 2.91Å; L131-Q160 HydrophobicContact CD2-CB 4.44Å
132V97.5Very high97.7Very high1 Ų128.4 Ų28.41%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-132.8149.9174.7-700000110R134 G158 R159 A161 P190 K191 D194V132-R134 HydrophobicContact CB-CG 4.11Å; V132-R134 HydrophobicContact CG2-CG 3.79Å; V132-G158 WeakPolarHBondContact O-CA 3.46Å; V132-R159 HydrophobicContact CG2-CG 3.67Å; V132-R159 VanDerWaalsContact CG2-O 3.29Å; V132-R159 WeakPolarHBondContact CG2-O 3.34Å; V132-R159 PolarHBondContact N-O 2.86Å; V132-R159 PolarHBondContact O-N 3.49Å; V132-A161 HydrophobicContact CB-CB 4.49Å; V132-A161 HydrophobicContact CG1-CB 3.94Å; V132-A161 HydrophobicContact CG2-CB 3.72Å; V132-P190 HydrophobicContact CB-CB 4.08Å; V132-P190 HydrophobicContact CG1-CB 3.97Å; V132-P190 HydrophobicContact CG2-CB 3.7Å; V132-K191 HydrophobicContact CG1-CB 4.36Å; V132-K191 HydrophobicContact CG1-CG 3.53Å; V132-D194 WeakPolarHBondContact CA-OD2 3.28Å; V132-D194 WeakPolarHBondContact CB-OD2 3.48Å
133H98Very high97.6Very high0 Ų028.5 Ų28.50%013%0.132CC..  trans-89.2-49.7-177-168.6-61.6000112D135 L136 T153 D154 F155 F157 G158 D194H133-D135 PolarHBondContact CE1-O 3.2Å; H133-D135 PolarHBondContact ND1-N 3.18Å; H133-D135 PolarHBondContact ND1-O 2.94Å; H133-D135 PolarHBondContact O-N 2.71Å; H133-L136 HydrophobicContact CB-CD2 4.12Å; H133-L136 HydrophobicContact CB-CG 3.94Å; H133-T153 PolarHBondContact NE2-O 3.16Å; H133-D154 PolarHBondContact CE1-O 3.4Å; H133-D154 PolarHBondContact NE2-O 3.09Å; H133-F155 AromaticContact CD2-CD1 3.89Å; H133-F155 AromaticContact CD2-CE1 3.68Å; H133-F157 CarbonylContact O-C 3.57Å; H133-G158 PolarHBondContact O-N 2.91Å; H133-D194 PolarHBondContact N-OD1 2.91Å; H133-D194 PolarHBondContact N-OD2 3.45Å
134R97.2Very high97.4Very high0 Ų029.5 Ų29.50%014%0.139CC..SBendtrans61.818.7179.4-49.4-168.8-60153.93.9116.2V132 F157 S168 C172 Y188 P190 Y193 D194V132-R134 HydrophobicContact CB-CG 4.11Å; V132-R134 HydrophobicContact CG2-CG 3.79Å; R134-F157 HydrophobicContact CB-CB 4.35Å; R134-F157 PolarHBondContact NE-O 2.97Å; R134-F157 PolarHBondContact NH2-O 3.18Å; R134-S168 PolarHBondContact NH1-OG 2.8Å; R134-C172 VanDerWaalsContact CZ-SG 3.58Å; R134-Y188 PolarHBondContact NH1-OH 2.91Å; R134-P190 HydrophobicContact CG-CB 4.25Å; R134-Y193 HydrophobicContact CB-CD1 4.14Å; R134-Y193 HydrophobicContact CB-CE1 4.05Å; R134-Y193 HydrophobicContact CG-CD1 4.35Å; R134-D194 WeakPolarHBondContact CA-OD1 3.29Å; R134-D194 PolarHBondContact N-OD1 3.24Å
135D97Very high97.1Very high3 Ų330.4 Ų30.42%0.01616%0.157CC..  trans-157.644.4171.9-164.538.9000110.1H133 K137 N140 F157 G173 S174H133-D135 PolarHBondContact CE1-O 3.2Å; H133-D135 PolarHBondContact ND1-N 3.18Å; H133-D135 PolarHBondContact ND1-O 2.94Å; H133-D135 PolarHBondContact O-N 2.71Å; D135-K137 PolarHBondContact O-N 3.39Å; D135-K137 WeakPolarHBondContact OD2-CE 3.39Å; D135-K137 IonicContact OD2-NZ 3.96Å; D135-N140 PolarHBondContact O-ND2 3.37Å; D135-N140 PolarHBondContact OD2-ND2 2.86Å; D135-F157 HydrophobicContact CB-CB 4.37Å; D135-F157 HydrophobicContact CB-CD2 3.59Å; D135-F157 HydrophobicContact CB-CE2 4.36Å; D135-F157 HydrophobicContact CB-CG 4.4Å; D135-G173 VanDerWaalsContact OD1-CA 3.23Å; D135-G173 WeakPolarHBondContact OD1-CA 3.46Å; D135-S174 PolarHBondContact OD1-N 3Å; D135-S174 PolarHBondContact OD1-OG 3.28Å
136L98.4Very high96.9Very high2 Ų232.7 Ų32.71%0.0117%0.172CC..  trans-70.8122.2172.8-71.3169.6000108.6V123 H133 L152 D194 S197 M198V123-L136 HydrophobicContact CG1-CD1 4.43Å; V123-L136 HydrophobicContact CG2-CD1 3.66Å; V123-L136 HydrophobicContact CG2-CD2 4.25Å; H133-L136 HydrophobicContact CB-CD2 4.12Å; H133-L136 HydrophobicContact CB-CG 3.94Å; L136-L152 HydrophobicContact CD2-CD1 4.05Å; L136-L152 HydrophobicContact CD2-CD2 4.11Å; L136-D194 HydrophobicContact CD1-CB 3.86Å; L136-S197 WeakPolarHBondContact O-CB 3.45Å; L136-M198 HydrophobicContact CD1-CG 3.87Å
137K97.8Very high96.8Very high33 Ų3334 Ų3414%0.14318%0.178CC..  trans-156.9164.2178.758.5-177.3173.8178.50109.5D135 E139 N140 V141 S174 Y177D135-K137 PolarHBondContact O-N 3.39Å; D135-K137 WeakPolarHBondContact OD2-CE 3.39Å; D135-K137 IonicContact OD2-NZ 3.96Å; K137-E139 HydrophobicContact CD-CB 4.42Å; K137-E139 HydrophobicContact CG-CB 4.32Å; K137-E139 PolarHBondContact O-N 3.13Å; K137-N140 VanDerWaalsContact CE-ND2 3.35Å; K137-N140 WeakPolarHBondContact CE-ND2 3.32Å; K137-N140 HydrophobicContact CG-CB 4.01Å; K137-N140 PolarHBondContact O-N 3.39Å; K137-V141 PolarHBondContact O-N 3.15Å; K137-S174 VanDerWaalsContact CD-OG 3.26Å; K137-S174 WeakPolarHBondContact CD-OG 3.49Å; K137-S174 WeakPolarHBondContact CE-OG 3.49Å; K137-S174 PolarHBondContact NZ-OG 2.95Å; K137-Y177 HydrophobicContact CB-CD1 3.9Å; K137-Y177 HydrophobicContact CB-CD2 3.63Å; K137-Y177 HydrophobicContact CB-CE1 3.78Å; K137-Y177 HydrophobicContact CB-CE2 3.49Å; K137-Y177 VanDerWaalsContact CB-CE2 3.49Å; K137-Y177 HydrophobicContact CB-CG 3.84Å
138C98Very high96.7Very high0 Ų041.6 Ų41.60%021%0.207CC..G310 helixtrans-58.7-34.6-174.9-62.60000112.4L97 L98 N140 V141 Y177L97-C138 HydrophobicContact CB-CB 4.25Å; L97-C138 WeakPolarHBondContact CB-O 3.3Å; L97-C138 HydrophobicContact CD2-CB 4.42Å; L97-C138 HydrophobicContact CG-CB 4.39Å; L97-C138 PolarHBondContact N-O 3.37Å; L98-C138 HydrophobicContact CB-CB 3.69Å; L98-C138 HydrophobicContact CD1-CB 4.33Å; C138-N140 VanDerWaalsContact C-N 3.26Å; C138-N140 PolarHBondContact O-N 3.19Å; C138-V141 PolarHBondContact O-N 2.91Å; C138-V141 VanDerWaalsContact O-N 3.16Å; C138-Y177 PolarHBondContact N-OH 3.28Å; C138-Y177 PolarHBondContact SG-OH 3.14Å; C138-Y177 VanDerWaalsContact SG-OH 3.37Å
139E96.3Very high96.7Very high66 Ų6644.9 Ų44.931%0.30821%0.212SC..G310 helixtrans-65.3-27.6177-53.697109.300113.2L98 K137 V141 Y177L98-E139 HydrophobicContact CB-CG 4.23Å; L98-E139 HydrophobicContact CD2-CG 3.63Å; K137-E139 HydrophobicContact CD-CB 4.42Å; K137-E139 HydrophobicContact CG-CB 4.32Å; K137-E139 PolarHBondContact O-N 3.13Å; E139-V141 VanDerWaalsContact C-N 3.33Å; E139-Y177 PolarHBondContact OE2-OH 2.91Å
140N97.4Very high96.8Very high9 Ų940 Ų405%0.04819%0.189CC..G310 helixtrans-92.85.6179.1-71.4-9.7000112.5D135 K137 C138 L152 T153D135-N140 PolarHBondContact O-ND2 3.37Å; D135-N140 PolarHBondContact OD2-ND2 2.86Å; K137-N140 VanDerWaalsContact CE-ND2 3.35Å; K137-N140 WeakPolarHBondContact CE-ND2 3.32Å; K137-N140 HydrophobicContact CG-CB 4.01Å; K137-N140 PolarHBondContact O-N 3.39Å; C138-N140 VanDerWaalsContact C-N 3.26Å; C138-N140 PolarHBondContact O-N 3.19Å; N140-L152 WeakPolarHBondContact O-CA 3.21Å; N140-T153 HydrophobicContact CB-CG2 4.48Å; N140-T153 PolarHBondContact O-N 2.84Å
141V98.3Very high96.8Very high1 Ų138.2 Ų38.21%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-108.897.4172.8-177.60000107.9D96 L97 I119 K137 C138 E139 V150 L152D96-V141 CarbonylContact C-O 3.6Å; D96-V141 WeakPolarHBondContact CA-O 3.44Å; L97-V141 HydrophobicContact CB-CB 3.84Å; L97-V141 HydrophobicContact CB-CG1 4.01Å; L97-V141 WeakPolarHBondContact CB-O 3.4Å; L97-V141 HydrophobicContact CD2-CB 3.99Å; L97-V141 HydrophobicContact CD2-CG1 3.91Å; L97-V141 HydrophobicContact CD2-CG2 4.32Å; L97-V141 PolarHBondContact N-O 2.92Å; I119-V141 HydrophobicContact CD1-CG1 3.88Å; I119-V141 HydrophobicContact CD1-CG2 4.23Å; I119-V141 HydrophobicContact CG1-CG1 4.11Å; K137-V141 PolarHBondContact O-N 3.15Å; C138-V141 PolarHBondContact O-N 2.91Å; C138-V141 VanDerWaalsContact O-N 3.16Å; E139-V141 VanDerWaalsContact C-N 3.33Å; V141-V150 HydrophobicContact CG1-CB 4.35Å; V141-V150 HydrophobicContact CG1-CG1 3.59Å; V141-V150 HydrophobicContact CG1-CG2 3.93Å; V141-L152 HydrophobicContact CG2-CD2 3.86Å
142L97.6Very high96.9Very high32 Ų3237 Ų3717%0.16817%0.174CC..EExtended strand (participates in β ladder)trans-82.9152.4179.4-52.2179.4000111.5A93 D96 V150 K151 T153A93-L142 HydrophobicContact CB-CB 3.49Å; A93-L142 VanDerWaalsContact CB-CB 3.49Å; A93-L142 HydrophobicContact CB-CD1 3.79Å; A93-L142 HydrophobicContact CB-CD2 4.45Å; A93-L142 HydrophobicContact CB-CG 4.11Å; D96-L142 HydrophobicContact CB-CD2 4.1Å; L142-V150 CarbonylContact O-C 3.41Å; L142-V150 WeakPolarHBondContact O-CA 3.36Å; L142-K151 HydrophobicContact CB-CB 4.19Å; L142-K151 WeakPolarHBondContact CB-O 3.11Å; L142-K151 PolarHBondContact N-O 3.23Å; L142-K151 PolarHBondContact O-N 2.83Å; L142-T153 HydrophobicContact CD1-CG2 3.76Å; L142-T153 HydrophobicContact CD2-CG2 3.92Å; L142-T153 HydrophobicContact CG-CG2 3.61Å
143L97.4Very high96.8Very high2 Ų237.9 Ų37.91%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-118.3141.8-179.9-62.5177.5000112.2A94 T95 L97 A100 L115 E147 R149 V150A94-L143 PolarHBondContact N-O 3.43Å; A94-L143 VanDerWaalsContact N-O 3.12Å; T95-L143 HydrophobicContact CG2-CB 4.09Å; T95-L143 HydrophobicContact CG2-CD1 4.26Å; T95-L143 PolarHBondContact O-N 3.42Å; L97-L143 HydrophobicContact CD1-CD1 4.27Å; A100-L143 HydrophobicContact CB-CD1 3.61Å; L115-L143 HydrophobicContact CD1-CD2 4.21Å; L115-L143 HydrophobicContact CD2-CD2 4.01Å; L143-E147 HydrophobicContact CB-CG 4.27Å; L143-E147 HydrophobicContact CD1-CB 4.33Å; L143-E147 HydrophobicContact CD1-CG 4.23Å; L143-R149 WeakPolarHBondContact CA-O 3.37Å; L143-V150 HydrophobicContact CD2-CG2 4.06Å
144S94.7Very high96.6Very high21 Ų2140.4 Ų40.415%0.14719%0.193CC..  trans-61.8162.4168.453.80000111.8D146 E147 R148 R149S144-D146 WeakPolarHBondContact CB-OD1 3.47Å; S144-D146 PolarHBondContact O-N 3.27Å; S144-D146 PolarHBondContact OG-OD1 2.96Å; S144-E147 WeakPolarHBondContact O-CA 3.18Å; S144-E147 PolarHBondContact O-N 3.29Å; S144-R148 PolarHBondContact OG-N 2.96Å; S144-R149 PolarHBondContact N-O 3.03Å; S144-R149 WeakPolarHBondContact OG-CB 3.47Å; S144-R149 PolarHBondContact OG-N 3.39Å; S144-R149 PolarHBondContact OG-O 3.4Å
145P92.6Very high96.5Very high115 Ų11540.4 Ų40.475%0.74719%0.193SC*.THydrogen-bonded Turntrans-56.6-30.7179.2-26.934.7000115.4A94 E147A94-P145 HydrophobicContact CB-CB 4.22Å; A94-P145 HydrophobicContact CB-CG 4.14Å; P145-E147 VanDerWaalsContact C-N 3.31Å
146D94.1Very high96.2Very high92 Ų9240.7 Ų40.749%0.49220%0.197SC..THydrogen-bonded Turntrans-86.9-0.1174.666.6-12.2000113.4S144 R148S144-D146 WeakPolarHBondContact CB-OD1 3.47Å; S144-D146 PolarHBondContact O-N 3.27Å; S144-D146 PolarHBondContact OG-OD1 2.96Å; D146-R148 PolarHBondContact O-N 3.23Å; D146-R148 VanDerWaalsContact O-N 3.14Å; D146-R148 PolarHBondContact OD1-N 3.06Å
147E95.3Very high95.9Very high28 Ų2843.9 Ų43.913%0.13121%0.211CC..SBendtrans53.330-178.3-59.5-177.1-174.300114.4T95 R103 Q111 L143 S144 P145T95-E147 HydrophobicContact CG2-CG 4.46Å; R103-E147 IonicContact CZ-OE1 2.95Å; R103-E147 IonicContact CZ-OE2 2.73Å; R103-E147 IonicContact NH1-OE1 3.18Å; R103-E147 PolarHBondContact NH1-OE1 2.96Å; R103-E147 IonicContact NH2-OE1 3.87Å; R103-E147 PolarHBondContact NH2-OE1 2.87Å; R103-E147 IonicContact NH2-OE2 3.85Å; R103-E147 PolarHBondContact NH2-OE2 3.35Å; Q111-E147 PolarHBondContact NE2-O 3.15Å; L143-E147 HydrophobicContact CB-CG 4.27Å; L143-E147 HydrophobicContact CD1-CB 4.33Å; L143-E147 HydrophobicContact CD1-CG 4.23Å; S144-E147 WeakPolarHBondContact O-CA 3.18Å; S144-E147 PolarHBondContact O-N 3.29Å; P145-E147 VanDerWaalsContact C-N 3.31Å
148R95.8Very high95.8Very high168 Ų16842.3 Ų42.363%0.63420%0.204SC*.  trans-103.9-13.6176.7-68.9-177.3176.6-82.6-1.5113.6Q118 S144 D146Q118-R148 PolarHBondContact NE2-O 3.29Å; S144-R148 PolarHBondContact OG-N 2.96Å; D146-R148 PolarHBondContact O-N 3.23Å; D146-R148 VanDerWaalsContact O-N 3.14Å; D146-R148 PolarHBondContact OD1-N 3.06Å
149R97Very high95.6Very high162 Ų16244.6 Ų44.661%0.61121%0.212SC*.  trans-124.3132.2-178.6-58.1-177.9-178.1-169-0.3112Q118 L143 S144Q118-R149 VanDerWaalsContact OE1-CA 3.25Å; L143-R149 WeakPolarHBondContact CA-O 3.37Å; S144-R149 PolarHBondContact N-O 3.03Å; S144-R149 WeakPolarHBondContact OG-CB 3.47Å; S144-R149 PolarHBondContact OG-N 3.39Å; S144-R149 PolarHBondContact OG-O 3.4Å
150V98Very high95.6Very high0 Ų046.8 Ų46.80%022%0.223CC..EExtended strand (participates in β ladder)trans-87.6145.4172.9166.20000111.1H71 L115 Q118 I119 V141 L142 L143 L152H71-V150 VanDerWaalsContact CA-O 3.23Å; H71-V150 WeakPolarHBondContact CA-O 3.49Å; H71-V150 WeakPolarHBondContact CB-O 3.34Å; H71-V150 PolarHBondContact ND1-O 2.83Å; H71-V150 VanDerWaalsContact ND1-O 3.16Å; L115-V150 HydrophobicContact CB-CG2 4.05Å; L115-V150 HydrophobicContact CD2-CG2 3.79Å; L115-V150 HydrophobicContact CG-CG2 4.48Å; Q118-V150 HydrophobicContact CB-CB 4.11Å; Q118-V150 HydrophobicContact CB-CG2 4.41Å; I119-V150 HydrophobicContact CD1-CG2 4.47Å; I119-V150 HydrophobicContact CG1-CB 4.42Å; I119-V150 HydrophobicContact CG1-CG1 3.83Å; I119-V150 HydrophobicContact CG1-CG2 4.05Å; V141-V150 HydrophobicContact CG1-CB 4.35Å; V141-V150 HydrophobicContact CG1-CG1 3.59Å; V141-V150 HydrophobicContact CG1-CG2 3.93Å; L142-V150 CarbonylContact O-C 3.41Å; L142-V150 WeakPolarHBondContact O-CA 3.36Å; L143-V150 HydrophobicContact CD2-CG2 4.06Å; V150-L152 HydrophobicContact CG1-CD2 4.25Å
151K98Very high95.4Very high42 Ų4246.4 Ų46.418%0.18322%0.221CC..EExtended strand (participates in β ladder)trans-132.1114.3162-62-67-167.8148.30110.3P70 H71 E91 L142P70-K151 VanDerWaalsContact O-CD 3.26Å; P70-K151 WeakPolarHBondContact O-CD 2.95Å; P70-K151 WeakPolarHBondContact O-CE 3.47Å; P70-K151 PolarHBondContact O-NZ 2.77Å; H71-K151 WeakPolarHBondContact O-CA 3.31Å; E91-K151 VanDerWaalsContact CD-CE 3.44Å; E91-K151 WeakPolarHBondContact OE1-CD 3.29Å; E91-K151 WeakPolarHBondContact OE1-CE 3.38Å; E91-K151 IonicContact OE1-NZ 2.67Å; E91-K151 PolarHBondContact OE1-NZ 2.78Å; E91-K151 WeakPolarHBondContact OE2-CE 3.34Å; E91-K151 IonicContact OE2-NZ 2.77Å; E91-K151 PolarHBondContact OE2-NZ 3.06Å; L142-K151 HydrophobicContact CB-CB 4.19Å; L142-K151 WeakPolarHBondContact CB-O 3.11Å; L142-K151 PolarHBondContact N-O 3.23Å; L142-K151 PolarHBondContact O-N 2.83Å
152L98.2Very high94.9Very high0 Ų051.2 Ų51.20%024%0.243CC..EExtended strand (participates in β ladder)trans-69136.9169.6-61-173.8000110.6H71 I72 V73 I119 A122 V123 L126 L136 N140 V141 V150H71-L152 PolarHBondContact O-N 2.91Å; I72-L152 HydrophobicContact CG1-CB 4.42Å; V73-L152 WeakPolarHBondContact CB-O 3.3Å; V73-L152 PolarHBondContact N-O 2.89Å; I119-L152 HydrophobicContact CG2-CD2 4.5Å; A122-L152 HydrophobicContact CB-CD1 3.58Å; A122-L152 HydrophobicContact CB-CG 4.03Å; V123-L152 HydrophobicContact CG2-CD1 3.9Å; L126-L152 HydrophobicContact CD1-CD1 4.43Å; L136-L152 HydrophobicContact CD2-CD1 4.05Å; L136-L152 HydrophobicContact CD2-CD2 4.11Å; N140-L152 WeakPolarHBondContact O-CA 3.21Å; V141-L152 HydrophobicContact CG2-CD2 3.86Å; V150-L152 HydrophobicContact CG1-CD2 4.25Å
153T96.4Very high93.9Very high19 Ų1950 Ų5012%0.11724%0.238CC..  trans-136.8173.2-179.3-164.80000111.7H133 N140 L142H133-T153 PolarHBondContact NE2-O 3.16Å; N140-T153 HydrophobicContact CB-CG2 4.48Å; N140-T153 PolarHBondContact O-N 2.84Å; L142-T153 HydrophobicContact CD1-CG2 3.76Å; L142-T153 HydrophobicContact CD2-CG2 3.92Å; L142-T153 HydrophobicContact CG-CG2 3.61Å
154D93.3Very high93Very high53 Ų5359 Ų5928%0.28327%0.274SS..  trans61.971.7174.9-155.910.2000115.8K41 H133 G156K41-D154 IonicContact NZ-OD1 2.95Å; K41-D154 PolarHBondContact NZ-OD1 3.45Å; H133-D154 PolarHBondContact CE1-O 3.4Å; H133-D154 PolarHBondContact NE2-O 3.09Å; D154-G156 PolarHBondContact O-N 2.85Å; D154-G156 VanDerWaalsContact O-N 3.16Å
155F94.7Very high92.4Very high0 Ų063.1 Ų63.10%030%0.299CS..G310 helixtrans-82.823.6176.6-65.6-93.3000113.2E60 I63 L64 I72 L126 H133 F157 G158E60-F155 HydrophobicContact CG-CB 4.2Å; I63-F155 HydrophobicContact CG2-CB 4.11Å; I63-F155 HydrophobicContact CG2-CD1 3.61Å; I63-F155 HydrophobicContact CG2-CE1 4.15Å; I63-F155 HydrophobicContact CG2-CG 3.86Å; L64-F155 HydrophobicContact CD2-CD2 3.62Å; L64-F155 HydrophobicContact CD2-CE2 4.22Å; L64-F155 HydrophobicContact CD2-CG 4.41Å; I72-F155 HydrophobicContact CG2-CE2 3.73Å; I72-F155 HydrophobicContact CG2-CZ 3.63Å; L126-F155 HydrophobicContact CD1-CE1 3.71Å; L126-F155 HydrophobicContact CD1-CZ 4.24Å; L126-F155 HydrophobicContact CD2-CE1 3.85Å; L126-F155 HydrophobicContact CD2-CZ 4.4Å; L126-F155 HydrophobicContact CG-CE1 4.44Å; H133-F155 AromaticContact CD2-CD1 3.89Å; H133-F155 AromaticContact CD2-CE1 3.68Å; F155-F157 PolarHBondContact O-N 3.07Å; F155-F157 VanDerWaalsContact O-N 3.15Å; F155-G158 WeakPolarHBondContact O-CA 3.25Å; F155-G158 PolarHBondContact O-N 3.3Å
156G91.7Very high92.2Very high9 Ų960 Ų609%0.09328%0.276CS..G310 helixtrans-58.5-28-177.200000114D154D154-G156 PolarHBondContact O-N 2.85Å; D154-G156 VanDerWaalsContact O-N 3.16Å
157F92.3Very high92.2Very high70 Ų7058.8 Ų58.831%0.30727%0.27SS..G310 helixtrans-100.2-0.6173.5-61.8-66.7000113.7F56 H133 R134 D135 F155 C172F56-F157 HydrophobicContact CD1-CD1 4.36Å; F56-F157 HydrophobicContact CE1-CD1 4.13Å; H133-F157 CarbonylContact O-C 3.57Å; R134-F157 HydrophobicContact CB-CB 4.35Å; R134-F157 PolarHBondContact NE-O 2.97Å; R134-F157 PolarHBondContact NH2-O 3.18Å; D135-F157 HydrophobicContact CB-CB 4.37Å; D135-F157 HydrophobicContact CB-CD2 3.59Å; D135-F157 HydrophobicContact CB-CE2 4.36Å; D135-F157 HydrophobicContact CB-CG 4.4Å; F155-F157 PolarHBondContact O-N 3.07Å; F155-F157 VanDerWaalsContact O-N 3.15Å; F157-C172 HydrophobicContact CD1-CB 3.57Å; F157-C172 HydrophobicContact CE1-CB 3.88Å; F157-C172 HydrophobicContact CG-CB 4.22Å
158G94.9Very high92.2Very high0 Ų057.6 Ų57.60%026%0.264CS..  trans-63150.8-177.900000112.6V132 H133 F155V132-G158 WeakPolarHBondContact O-CA 3.46Å; H133-G158 PolarHBondContact O-N 2.91Å; F155-G158 WeakPolarHBondContact O-CA 3.25Å; F155-G158 PolarHBondContact O-N 3.3Å
159R94.6Very high92.1Very high47 Ų4754.2 Ų54.218%0.17726%0.262CS..EExtended strand (participates in β ladder)trans-152.5166.7171.264.6168.8-76.1-153.1-10.1110.9V132 D166V132-R159 HydrophobicContact CG2-CG 3.67Å; V132-R159 VanDerWaalsContact CG2-O 3.29Å; V132-R159 WeakPolarHBondContact CG2-O 3.34Å; V132-R159 PolarHBondContact N-O 2.86Å; V132-R159 PolarHBondContact O-N 3.49Å; R159-D166 IonicContact CZ-OD1 2.78Å; R159-D166 IonicContact NH1-OD1 2.8Å; R159-D166 IonicContact NH2-OD1 2.7Å; R159-D166 PolarHBondContact NH2-OD1 3.17Å; R159-D166 IonicContact NH2-OD2 3.57Å; R159-D166 PolarHBondContact NH2-OD2 3.1Å
160Q94.8Very high91.9Very high113 Ų11348.4 Ų48.453%0.52825%0.245SC..EExtended strand (participates in β ladder)trans-70.9133.7160.6-166.7174.515.600109.6H130 L131H130-Q160 HydrophobicContact CB-CG 4.29Å; H130-Q160 CarbonylContact O-C 3.58Å; H130-Q160 WeakPolarHBondContact O-CA 3.46Å; H130-Q160 WeakPolarHBondContact O-CG 3.47Å; L131-Q160 HydrophobicContact CD2-CB 4.44Å
161A93.6Very high91.7Very high0 Ų053 Ų530%026%0.263CS..  trans-145.8124.7176.100000109.9H130 V132 G163 D166 P190 K191H130-A161 CarbonylContact C-O 3.39Å; H130-A161 WeakPolarHBondContact CA-O 3.41Å; H130-A161 PolarHBondContact O-N 2.89Å; V132-A161 HydrophobicContact CB-CB 4.49Å; V132-A161 HydrophobicContact CG1-CB 3.94Å; V132-A161 HydrophobicContact CG2-CB 3.72Å; A161-G163 VanDerWaalsContact C-N 3.34Å; A161-D166 WeakPolarHBondContact CA-OD2 3.45Å; A161-P190 HydrophobicContact CB-CB 4.19Å; A161-P190 HydrophobicContact CB-CG 4.13Å; A161-K191 WeakPolarHBondContact O-CE 3.43Å
162H88.8Confident91.4Very high102 Ų10251.9 Ų51.947%0.47226%0.26SS..  trans-83-14.9-179.5-68.2-85.3000112.9H130 D166H130-H162 AromaticContact CE1-ND1 3.99Å; H130-H162 AromaticContact CG-ND1 3.74Å; H130-H162 AromaticContact ND1-ND1 3.62Å; H162-D166 HydrophobicContact CB-CB 4.36Å; H162-D166 IonicContact CD2-OD2 2.74Å; H162-D166 PolarHBondContact N-OD2 3Å; H162-D166 VanDerWaalsContact N-OD2 3.07Å
163G76Confident91.1Very high7 Ų753.1 Ų53.17%0.07227%0.273CS..BIsolated β-bridgetrans85.6-172.3-168.400000110.2A161 D166A161-G163 VanDerWaalsContact C-N 3.34Å; G163-D166 WeakPolarHBondContact O-CA 3.42Å; G163-D166 VanDerWaalsContact O-CB 3.31Å; G163-D166 WeakPolarHBondContact O-CB 3.42Å; G163-D166 PolarHBondContact O-N 3.4Å
164Y77.6Confident91Very high192 Ų19253.6 Ų53.675%0.75328%0.277SS*.THydrogen-bonded Turntrans-50.6131.2-177-171.2-89.6000112.6L167Y164-L167 HydrophobicContact CD2-CD2 4.4Å
165P82.6Confident91.2Very high106 Ų10652.9 Ų52.969%0.68828%0.279SS*.THydrogen-bonded Turncis-91.48.47.336.3-35.9000116.3L167P165-L167 VanDerWaalsContact C-N 3.27Å; P165-L167 PolarHBondContact O-N 3.23Å
166D88.5Confident91.3Very high49 Ų4953.6 Ų53.626%0.26229%0.285SS..BIsolated β-bridgetrans-71.776.6176.8176.924.5000111.4R159 A161 H162 G163R159-D166 IonicContact CZ-OD1 2.78Å; R159-D166 IonicContact NH1-OD1 2.8Å; R159-D166 IonicContact NH2-OD1 2.7Å; R159-D166 PolarHBondContact NH2-OD1 3.17Å; R159-D166 IonicContact NH2-OD2 3.57Å; R159-D166 PolarHBondContact NH2-OD2 3.1Å; A161-D166 WeakPolarHBondContact CA-OD2 3.45Å; H162-D166 HydrophobicContact CB-CB 4.36Å; H162-D166 IonicContact CD2-OD2 2.74Å; H162-D166 PolarHBondContact N-OD2 3Å; H162-D166 VanDerWaalsContact N-OD2 3.07Å; G163-D166 WeakPolarHBondContact O-CA 3.42Å; G163-D166 VanDerWaalsContact O-CB 3.31Å; G163-D166 WeakPolarHBondContact O-CB 3.42Å; G163-D166 PolarHBondContact O-N 3.4Å
167L94.5Very high91.6Very high68 Ų6853.8 Ų53.836%0.35628%0.283SS..  trans-81.5143.7175.1-58.9-179.5000111.1Y164 P165 P187 Y188 D189Y164-L167 HydrophobicContact CD2-CD2 4.4Å; P165-L167 VanDerWaalsContact C-N 3.27Å; P165-L167 PolarHBondContact O-N 3.23Å; L167-P187 HydrophobicContact CB-CB 4.14Å; L167-P187 HydrophobicContact CD1-CB 4.16Å; L167-Y188 CarbonylContact C-O 3.58Å; L167-Y188 WeakPolarHBondContact CA-O 3.34Å; L167-D189 HydrophobicContact CD2-CB 4.28Å
168S94.8Very high91.8Very high2 Ų250.7 Ų50.71%0.01427%0.27CS..BIsolated β-bridgetrans-93.6138.5175.3-163.90000111.5R134 T170 P187 Y188R134-S168 PolarHBondContact NH1-OG 2.8Å; S168-T170 PolarHBondContact OG-N 3.33Å; S168-P187 WeakPolarHBondContact O-CA 3.29Å; S168-Y188 PolarHBondContact N-O 3.12Å; S168-Y188 WeakPolarHBondContact O-CD1 3.41Å; S168-Y188 WeakPolarHBondContact O-CE1 3.34Å; S168-Y188 PolarHBondContact O-N 3.14Å; S168-Y188 VanDerWaalsContact O-N 3.14Å
169T94.7Very high92Very high97 Ų9750.7 Ų50.760%0.59527%0.27SS*.  trans-110.912.2172.554.70000112.6Y171 P187T169-Y171 WeakPolarHBondContact O-CE2 3.41Å; T169-P187 HydrophobicContact CG2-CB 4.23Å; T169-P187 HydrophobicContact CG2-CG 4.16Å
170T92.6Very high92.1Very high40 Ų4048.5 Ų48.525%0.24526%0.262CS..  trans-102.7111.2176-56.90000108.1F56 S168 Y188F56-T170 HydrophobicContact CZ-CG2 4.4Å; S168-T170 PolarHBondContact OG-N 3.33Å; T170-Y188 WeakPolarHBondContact O-CE1 3.45Å; T170-Y188 PolarHBondContact O-OH 3.32Å
171Y93.4Very high92.3Very high98 Ų9843.6 Ų43.638%0.38424%0.239SC..  trans-90.6108.1-178.9-48.9-72.4000108.7T169 V182 G185 Y188T169-Y171 WeakPolarHBondContact O-CE2 3.41Å; Y171-V182 HydrophobicContact CD1-CG1 4.32Å; Y171-V182 WeakPolarHBondContact CD1-O 3.44Å; Y171-G185 VanDerWaalsContact CZ-C 3.41Å; Y171-G185 PolarHBondContact OH-O 3.36Å; Y171-Y188 HydrophobicContact CD1-CD1 4.22Å; Y171-Y188 AromaticContact CD1-CE1 3.95Å; Y171-Y188 HydrophobicContact CD1-CE1 3.95Å; Y171-Y188 HydrophobicContact CE1-CD1 4.01Å; Y171-Y188 HydrophobicContact CE1-CE1 4.1Å
172C91.8Very high92.4Very high17 Ų1744.2 Ų44.212%0.11524%0.242CC..  trans-147.1171-17560.90000111.1R134 F157 Y193R134-C172 VanDerWaalsContact CZ-SG 3.58Å; F157-C172 HydrophobicContact CD1-CB 3.57Å; F157-C172 HydrophobicContact CE1-CB 3.88Å; F157-C172 HydrophobicContact CG-CB 4.22Å; C172-Y193 PolarHBondContact O-OH 3.18Å
173G91.8Very high92.8Very high27 Ų2741.6 Ų41.628%0.27823%0.232SC..SBendtrans95.8176.4-174.200000111.7D135D135-G173 VanDerWaalsContact OD1-CA 3.23Å; D135-G173 WeakPolarHBondContact OD1-CA 3.46Å
174S94.6Very high93.8Very high28 Ų2845.6 Ų45.620%0.19625%0.251CS..  trans-79.1124.1-172.6-54.50000110.8D135 K137 A176 Y177 A178D135-S174 PolarHBondContact OD1-N 3Å; D135-S174 PolarHBondContact OD1-OG 3.28Å; K137-S174 VanDerWaalsContact CD-OG 3.26Å; K137-S174 WeakPolarHBondContact CD-OG 3.49Å; K137-S174 WeakPolarHBondContact CE-OG 3.49Å; K137-S174 PolarHBondContact NZ-OG 2.95Å; S174-A176 VanDerWaalsContact C-N 3.28Å; S174-A176 PolarHBondContact O-N 3.41Å; S174-A176 VanDerWaalsContact O-N 3.17Å; S174-Y177 PolarHBondContact O-N 3.27Å; S174-A178 PolarHBondContact O-N 3.44Å
175A96Very high94.7Very high38 Ų3838.3 Ų38.331%0.31424%0.235SC..G310 helixtrans-57.2-37.1-168.500000114Y177 A178 I217A175-Y177 PolarHBondContact O-N 2.91Å; A175-A178 VanDerWaalsContact O-CB 3.23Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 3.19Å; A175-I217 HydrophobicContact CB-CD1 3.75Å; A175-I217 HydrophobicContact CB-CG1 4.33Å; A175-I217 HydrophobicContact CB-CG2 4.08Å
176A96.9Very high95.4Very high16 Ų1637.2 Ų37.213%0.13222%0.222CC..G310 helixtrans-62.5-25.117800000113.7S174 M210 D214S174-A176 VanDerWaalsContact C-N 3.28Å; S174-A176 PolarHBondContact O-N 3.41Å; S174-A176 VanDerWaalsContact O-N 3.17Å; A176-M210 HydrophobicContact CB-CE 3.56Å; A176-M210 VanDerWaalsContact O-CE 3.27Å; A176-M210 WeakPolarHBondContact O-CE 3.19Å; A176-D214 HydrophobicContact CB-CB 4.05Å; A176-D214 WeakPolarHBondContact CB-OD2 3.39Å
177Y98.2Very high95.8Very high13 Ų1338 Ų385%0.05123%0.229CC..G310 helixtrans-103.52.2178.2-63-97.4000112.4K137 C138 E139 S174 A175 S197 V200 V201K137-Y177 HydrophobicContact CB-CD1 3.9Å; K137-Y177 HydrophobicContact CB-CD2 3.63Å; K137-Y177 HydrophobicContact CB-CE1 3.78Å; K137-Y177 HydrophobicContact CB-CE2 3.49Å; K137-Y177 VanDerWaalsContact CB-CE2 3.49Å; K137-Y177 HydrophobicContact CB-CG 3.84Å; C138-Y177 PolarHBondContact N-OH 3.28Å; C138-Y177 PolarHBondContact SG-OH 3.14Å; C138-Y177 VanDerWaalsContact SG-OH 3.37Å; E139-Y177 PolarHBondContact OE2-OH 2.91Å; S174-Y177 PolarHBondContact O-N 3.27Å; A175-Y177 PolarHBondContact O-N 2.91Å; Y177-S197 PolarHBondContact O-OG 2.87Å; Y177-V200 HydrophobicContact CD1-CB 3.82Å; Y177-V200 HydrophobicContact CD1-CG1 3.43Å; Y177-V200 VanDerWaalsContact CD1-CG1 3.43Å; Y177-V200 HydrophobicContact CE1-CB 4.37Å; Y177-V200 HydrophobicContact CE1-CG1 3.7Å; Y177-V200 HydrophobicContact CG-CG1 4.13Å; Y177-V201 HydrophobicContact CD1-CG2 4.16Å; Y177-V201 HydrophobicContact CE1-CG2 3.89Å
178A98Very high95.9Very high4 Ų434.9 Ų34.93%0.03321%0.213CC..  trans-74.6137.7-175.700000111.8S174 A175 V182 L183 Y193 W196 Q224S174-A178 PolarHBondContact O-N 3.44Å; A175-A178 VanDerWaalsContact O-CB 3.23Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 3.19Å; A178-V182 HydrophobicContact CB-CG1 4.3Å; A178-L183 HydrophobicContact CB-CD1 4.24Å; A178-L183 HydrophobicContact CB-CD2 3.73Å; A178-L183 HydrophobicContact CB-CG 3.71Å; A178-Y193 HydrophobicContact CB-CE2 4.49Å; A178-W196 PolarHBondContact O-NE1 3.21Å; A178-W196 VanDerWaalsContact O-NE1 3.11Å; A178-Q224 PolarHBondContact O-NE2 3.28Å
179S97.8Very high96Very high0 Ų036.2 Ų36.20%022%0.22CC..  trans-72.8156.3174.156.30000112E181 V182 L183 Y193 W196S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CB-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.37Å; S179-E181 VanDerWaalsContact OG-CD 3.24Å; S179-E181 PolarHBondContact OG-OE1 3.45Å; S179-E181 PolarHBondContact OG-OE2 3.17Å; S179-V182 WeakPolarHBondContact O-CB 3.4Å; S179-V182 PolarHBondContact O-N 3.1Å; S179-V182 VanDerWaalsContact OG-CG2 3.29Å; S179-V182 WeakPolarHBondContact OG-CG2 3.26Å; S179-L183 PolarHBondContact O-N 2.87Å; S179-L183 VanDerWaalsContact O-N 3.11Å; S179-Y193 WeakPolarHBondContact OG-CD2 3.35Å; S179-W196 VanDerWaalsContact CA-CD1 3.5Å
180P97.8Very high96.1Very high1 Ų131.6 Ų31.61%0.00619%0.192CC..Hα-helixtrans-51.2-45.7-178.1-24.727.6000114.1V182 L183 L184 W196 Q224 F250P180-V182 VanDerWaalsContact C-N 3.29Å; P180-V182 PolarHBondContact O-N 2.9Å; P180-L183 PolarHBondContact O-N 3.46Å; P180-L184 VanDerWaalsContact O-CB 3.31Å; P180-L184 WeakPolarHBondContact O-CB 3.42Å; P180-L184 WeakPolarHBondContact O-CD1 3.37Å; P180-L184 WeakPolarHBondContact O-CG 3.39Å; P180-L184 PolarHBondContact O-N 3.47Å; P180-W196 HydrophobicContact CG-CE3 4.44Å; P180-W196 HydrophobicContact CG-CH2 3.78Å; P180-W196 HydrophobicContact CG-CZ2 4.25Å; P180-W196 HydrophobicContact CG-CZ3 3.87Å; P180-Q224 VanDerWaalsContact CA-OE1 3.27Å; P180-Q224 HydrophobicContact CG-CB 4.23Å; P180-Q224 VanDerWaalsContact CG-OE1 3.24Å; P180-F250 HydrophobicContact CB-CD2 3.83Å; P180-F250 HydrophobicContact CB-CE1 4.47Å; P180-F250 HydrophobicContact CB-CE2 3.46Å; P180-F250 VanDerWaalsContact CB-CE2 3.46Å; P180-F250 HydrophobicContact CB-CG 4.49Å; P180-F250 HydrophobicContact CB-CZ 3.82Å; P180-F250 HydrophobicContact CG-CD2 3.54Å; P180-F250 HydrophobicContact CG-CE2 3.7Å; P180-F250 HydrophobicContact CG-CG 4.19Å; P180-F250 HydrophobicContact CG-CZ 4.45Å
181E97.4Very high96.3Very high11 Ų1131.4 Ų31.45%0.05119%0.187CC..Hα-helixtrans-65.4-30.7-179.165.7-82.7-157.900113.1S179 G185 I186 Y188 P252 R255S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CB-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.37Å; S179-E181 VanDerWaalsContact OG-CD 3.24Å; S179-E181 PolarHBondContact OG-OE1 3.45Å; S179-E181 PolarHBondContact OG-OE2 3.17Å; E181-G185 PolarHBondContact O-N 2.98Å; E181-I186 HydrophobicContact CB-CB 4.18Å; E181-I186 PolarHBondContact O-N 3.25Å; E181-Y188 HydrophobicContact CG-CG 4.37Å; E181-P252 HydrophobicContact CB-CG 4.45Å; E181-P252 VanDerWaalsContact CD-CG 3.43Å; E181-P252 HydrophobicContact CG-CG 4.05Å; E181-P252 WeakPolarHBondContact OE1-CG 3.22Å; E181-R255 IonicContact OE1-CZ 3.58Å; E181-R255 IonicContact OE1-NH1 3.78Å; E181-R255 PolarHBondContact OE1-NH1 3.15Å; E181-R255 IonicContact OE1-NH2 2.91Å; E181-R255 PolarHBondContact OE1-NH2 2.62Å; E181-R255 IonicContact OE2-CZ 2.71Å; E181-R255 IonicContact OE2-NH1 3.94Å; E181-R255 IonicContact OE2-NH2 3.62Å; E181-R255 PolarHBondContact OE2-NH2 2.96Å
182V97.5Very high96.5Very high12 Ų1228.6 Ų28.67%0.07318%0.177CC..Hα-helixtrans-72.6-45175.8171.50000109.8Y171 A178 S179 P180 L184 G185 Y188 Y193Y171-V182 HydrophobicContact CD1-CG1 4.32Å; Y171-V182 WeakPolarHBondContact CD1-O 3.44Å; A178-V182 HydrophobicContact CB-CG1 4.3Å; S179-V182 WeakPolarHBondContact O-CB 3.4Å; S179-V182 PolarHBondContact O-N 3.1Å; S179-V182 VanDerWaalsContact OG-CG2 3.29Å; S179-V182 WeakPolarHBondContact OG-CG2 3.26Å; P180-V182 VanDerWaalsContact C-N 3.29Å; P180-V182 PolarHBondContact O-N 2.9Å; V182-L184 VanDerWaalsContact C-N 3.28Å; V182-L184 PolarHBondContact O-N 3.27Å; V182-G185 PolarHBondContact O-N 3.27Å; V182-Y188 HydrophobicContact CG2-CD1 3.75Å; V182-Y188 HydrophobicContact CG2-CD2 3.87Å; V182-Y188 HydrophobicContact CG2-CE1 3.82Å; V182-Y188 HydrophobicContact CG2-CE2 3.94Å; V182-Y188 HydrophobicContact CG2-CG 3.79Å; V182-Y193 HydrophobicContact CG2-CD1 4.09Å; V182-Y193 HydrophobicContact CG2-CD2 4.1Å; V182-Y193 HydrophobicContact CG2-CE1 4.23Å; V182-Y193 HydrophobicContact CG2-CE2 4.32Å; V182-Y193 HydrophobicContact CG2-CG 3.99Å
183L97.2Very high96.8Very high47 Ų4727.8 Ų27.825%0.24617%0.172CC..Hα-helixtrans-65.3-31.5177.4-68.1168.7000112.7A178 S179 P180 G185 I217 L220 P221A178-L183 HydrophobicContact CB-CD1 4.24Å; A178-L183 HydrophobicContact CB-CD2 3.73Å; A178-L183 HydrophobicContact CB-CG 3.71Å; S179-L183 PolarHBondContact O-N 2.87Å; S179-L183 VanDerWaalsContact O-N 3.11Å; P180-L183 PolarHBondContact O-N 3.46Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-I217 HydrophobicContact CD2-CG2 4.15Å; L183-L220 HydrophobicContact CD1-CB 4.12Å; L183-L220 HydrophobicContact CD1-CD2 3.72Å; L183-L220 HydrophobicContact CD1-CG 4.01Å; L183-P221 HydrophobicContact CB-CG 3.73Å; L183-P221 HydrophobicContact CD1-CG 4.16Å
184L96.5Very high97.1Very high92 Ų9226.5 Ų26.548%0.48216%0.159SC..THydrogen-bonded Turntrans-85.4-1.1178.1-67.9169.6000113.6P180 V182 I186 P221 F250P180-L184 VanDerWaalsContact O-CB 3.31Å; P180-L184 WeakPolarHBondContact O-CB 3.42Å; P180-L184 WeakPolarHBondContact O-CD1 3.37Å; P180-L184 WeakPolarHBondContact O-CG 3.39Å; P180-L184 PolarHBondContact O-N 3.47Å; V182-L184 VanDerWaalsContact C-N 3.28Å; V182-L184 PolarHBondContact O-N 3.27Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 HydrophobicContact CB-CD1 3.8Å; L184-I186 HydrophobicContact CB-CG1 3.94Å; L184-I186 HydrophobicContact CD1-CD1 4.11Å; L184-I186 PolarHBondContact O-N 2.8Å; L184-P221 HydrophobicContact CD1-CB 4.35Å; L184-P221 HydrophobicContact CD2-CB 3.95Å; L184-P221 HydrophobicContact CD2-CG 4.03Å; L184-P221 HydrophobicContact CG-CB 4.05Å; L184-P221 HydrophobicContact CG-CG 4.14Å; L184-F250 HydrophobicContact CD1-CZ 4.38Å
185G96.3Very high97.3Very high39 Ų3925.2 Ų25.240%0.40215%0.149SC..THydrogen-bonded Turntrans66.930.7-179.700000113.7Y171 E181 V182 L183Y171-G185 VanDerWaalsContact CZ-C 3.41Å; Y171-G185 PolarHBondContact OH-O 3.36Å; E181-G185 PolarHBondContact O-N 2.98Å; V182-G185 PolarHBondContact O-N 3.27Å; L183-G185 VanDerWaalsContact C-N 3.33Å
186I96.7Very high97.4Very high83 Ų8323.4 Ų23.443%0.42613%0.134SC..  trans-96.1133.4179.3-58.9171.1000108.5E181 L184 Y188E181-I186 HydrophobicContact CB-CB 4.18Å; E181-I186 PolarHBondContact O-N 3.25Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 HydrophobicContact CB-CD1 3.8Å; L184-I186 HydrophobicContact CB-CG1 3.94Å; L184-I186 HydrophobicContact CD1-CD1 4.11Å; L184-I186 PolarHBondContact O-N 2.8Å; I186-Y188 PolarHBondContact O-N 2.93Å
187P96.7Very high97.5Very high64 Ų6422.6 Ų22.642%0.41613%0.128SC..  trans-52.2129.6172.7-25.533.5000111.5L167 S168 T169L167-P187 HydrophobicContact CB-CB 4.14Å; L167-P187 HydrophobicContact CD1-CB 4.16Å; S168-P187 WeakPolarHBondContact O-CA 3.29Å; T169-P187 HydrophobicContact CG2-CB 4.23Å; T169-P187 HydrophobicContact CG2-CG 4.16Å
188Y96.7Very high97.6Very high3 Ų322 Ų221%0.01213%0.126CC..BIsolated β-bridgetrans-131.6154.9-16566.1-86.4000113.1R134 L167 S168 T170 Y171 E181 V182 I186 P190 Y193R134-Y188 PolarHBondContact NH1-OH 2.91Å; L167-Y188 CarbonylContact C-O 3.58Å; L167-Y188 WeakPolarHBondContact CA-O 3.34Å; S168-Y188 PolarHBondContact N-O 3.12Å; S168-Y188 WeakPolarHBondContact O-CD1 3.41Å; S168-Y188 WeakPolarHBondContact O-CE1 3.34Å; S168-Y188 PolarHBondContact O-N 3.14Å; S168-Y188 VanDerWaalsContact O-N 3.14Å; T170-Y188 WeakPolarHBondContact O-CE1 3.45Å; T170-Y188 PolarHBondContact O-OH 3.32Å; Y171-Y188 HydrophobicContact CD1-CD1 4.22Å; Y171-Y188 AromaticContact CD1-CE1 3.95Å; Y171-Y188 HydrophobicContact CD1-CE1 3.95Å; Y171-Y188 HydrophobicContact CE1-CD1 4.01Å; Y171-Y188 HydrophobicContact CE1-CE1 4.1Å; E181-Y188 HydrophobicContact CG-CG 4.37Å; V182-Y188 HydrophobicContact CG2-CD1 3.75Å; V182-Y188 HydrophobicContact CG2-CD2 3.87Å; V182-Y188 HydrophobicContact CG2-CE1 3.82Å; V182-Y188 HydrophobicContact CG2-CE2 3.94Å; V182-Y188 HydrophobicContact CG2-CG 3.79Å; I186-Y188 PolarHBondContact O-N 2.93Å; Y188-P190 HydrophobicContact CD2-CG 4.36Å; Y188-P190 HydrophobicContact CE2-CB 4.14Å; Y188-P190 HydrophobicContact CE2-CG 4.04Å; Y188-P190 VanDerWaalsContact O-CD 3.25Å; Y188-P190 WeakPolarHBondContact O-CD 3.42Å; Y188-Y193 HydrophobicContact CD2-CD1 4.43Å; Y188-Y193 HydrophobicContact CD2-CG 4.41Å; Y188-Y193 AromaticContact CE2-CD1 3.73Å; Y188-Y193 HydrophobicContact CE2-CD1 3.73Å; Y188-Y193 HydrophobicContact CE2-CG 4.15Å
189D96.7Very high97.6Very high30 Ų3021.9 Ų21.916%0.1612%0.124CC..  trans-78.5113.1168.5-179.1-20.8000109.1L167 K191 K192 Y193L167-D189 HydrophobicContact CD2-CB 4.28Å; D189-K191 PolarHBondContact O-N 3.42Å; D189-K191 WeakPolarHBondContact OD1-CB 3.15Å; D189-K191 PolarHBondContact OD1-N 3.21Å; D189-K192 HydrophobicContact CB-CB 4.14Å; D189-K192 HydrophobicContact CB-CG 3.92Å; D189-K192 PolarHBondContact O-N 3.49Å; D189-K192 VanDerWaalsContact O-N 3.09Å; D189-Y193 PolarHBondContact O-N 3.31Å
190P97Very high97.6Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-63.6-24.5-177.1-25.739.2000114.6V132 R134 A161 Y188 Y193 D194V132-P190 HydrophobicContact CB-CB 4.08Å; V132-P190 HydrophobicContact CG1-CB 3.97Å; V132-P190 HydrophobicContact CG2-CB 3.7Å; R134-P190 HydrophobicContact CG-CB 4.25Å; A161-P190 HydrophobicContact CB-CB 4.19Å; A161-P190 HydrophobicContact CB-CG 4.13Å; Y188-P190 HydrophobicContact CD2-CG 4.36Å; Y188-P190 HydrophobicContact CE2-CB 4.14Å; Y188-P190 HydrophobicContact CE2-CG 4.04Å; Y188-P190 VanDerWaalsContact O-CD 3.25Å; Y188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-Y193 WeakPolarHBondContact O-CB 3.35Å; P190-Y193 PolarHBondContact O-N 3.17Å; P190-D194 PolarHBondContact O-N 2.81Å; P190-D194 VanDerWaalsContact O-N 3.07Å
191K97.7Very high97.7Very high36 Ų3621.9 Ų21.916%0.15712%0.124CC..Hα-helixtrans-71.2-40.9175.4-66-178.5173.8-173.30110.3H127 V132 A161 D189 Y193 D194 V195H127-K191 HydrophobicContact CB-CD 4.23Å; H127-K191 PolarHBondContact CE1-O 3.12Å; H127-K191 VanDerWaalsContact CE1-O 3.24Å; H127-K191 WeakPolarHBondContact O-CE 3.35Å; H127-K191 PolarHBondContact O-NZ 2.95Å; V132-K191 HydrophobicContact CG1-CB 4.36Å; V132-K191 HydrophobicContact CG1-CG 3.53Å; A161-K191 WeakPolarHBondContact O-CE 3.43Å; D189-K191 PolarHBondContact O-N 3.42Å; D189-K191 WeakPolarHBondContact OD1-CB 3.15Å; D189-K191 PolarHBondContact OD1-N 3.21Å; K191-Y193 VanDerWaalsContact C-N 3.26Å; K191-Y193 PolarHBondContact O-N 3.31Å; K191-D194 PolarHBondContact O-N 3.32Å; K191-V195 WeakPolarHBondContact O-CG2 3.16Å; K191-V195 PolarHBondContact O-N 3.3Å; K191-V195 VanDerWaalsContact O-N 3.12Å
192K97.7Very high97.8Very high39 Ų3921.4 Ų21.417%0.1712%0.122CC..Hα-helixtrans-68.8-27.2174.3-60.7-52.1-168.3890112.3D189 W196 P252 R255D189-K192 HydrophobicContact CB-CB 4.14Å; D189-K192 HydrophobicContact CB-CG 3.92Å; D189-K192 PolarHBondContact O-N 3.49Å; D189-K192 VanDerWaalsContact O-N 3.09Å; K192-W196 PolarHBondContact O-N 3.45Å; K192-W196 VanDerWaalsContact O-N 3.15Å; K192-P252 HydrophobicContact CB-CB 4.12Å; K192-P252 HydrophobicContact CG-CB 4.44Å; K192-P252 PolarHBondContact NZ-O 3.28Å; K192-R255 HydrophobicContact CD-CB 4.32Å; K192-R255 PolarHBondContact NZ-O 2.84Å; K192-R255 PolarHBondContact O-NH1 3.26Å
193Y97.9Very high97.8Very high1 Ų121.1 Ų21.10%0.00412%0.12CC..Hα-helixtrans-65.8-50.8170.6177.7-147.9000111.5R134 C172 A178 S179 V182 Y188 D189 P190 K191 V195 W196 S197R134-Y193 HydrophobicContact CB-CD1 4.14Å; R134-Y193 HydrophobicContact CB-CE1 4.05Å; R134-Y193 HydrophobicContact CG-CD1 4.35Å; C172-Y193 PolarHBondContact O-OH 3.18Å; A178-Y193 HydrophobicContact CB-CE2 4.49Å; S179-Y193 WeakPolarHBondContact OG-CD2 3.35Å; V182-Y193 HydrophobicContact CG2-CD1 4.09Å; V182-Y193 HydrophobicContact CG2-CD2 4.1Å; V182-Y193 HydrophobicContact CG2-CE1 4.23Å; V182-Y193 HydrophobicContact CG2-CE2 4.32Å; V182-Y193 HydrophobicContact CG2-CG 3.99Å; Y188-Y193 HydrophobicContact CD2-CD1 4.43Å; Y188-Y193 HydrophobicContact CD2-CG 4.41Å; Y188-Y193 AromaticContact CE2-CD1 3.73Å; Y188-Y193 HydrophobicContact CE2-CD1 3.73Å; Y188-Y193 HydrophobicContact CE2-CG 4.15Å; D189-Y193 PolarHBondContact O-N 3.31Å; P190-Y193 WeakPolarHBondContact O-CB 3.35Å; P190-Y193 PolarHBondContact O-N 3.17Å; K191-Y193 VanDerWaalsContact C-N 3.26Å; K191-Y193 PolarHBondContact O-N 3.31Å; Y193-V195 PolarHBondContact O-N 2.74Å; Y193-W196 WeakPolarHBondContact O-CB 3.24Å; Y193-W196 PolarHBondContact O-N 3.32Å; Y193-S197 WeakPolarHBondContact CE2-OG 3.31Å; Y193-S197 PolarHBondContact O-N 2.76Å; Y193-S197 PolarHBondContact O-OG 3.21Å
194D98.4Very high97.9Very high0 Ų019.1 Ų19.10%011%0.11CC..Hα-helixtrans-55.6-39.1175.2-77.8-14.9000112.1V123 H127 V132 H133 R134 L136 P190 K191 S197 M198V123-D194 HydrophobicContact CG1-CB 4.24Å; H127-D194 IonicContact CD2-OD2 3.34Å; H127-D194 IonicContact CE1-OD2 2.74Å; H127-D194 WeakPolarHBondContact NE2-CB 3.48Å; H127-D194 IonicContact NE2-OD2 3.43Å; H127-D194 PolarHBondContact NE2-OD2 3.36Å; V132-D194 WeakPolarHBondContact CA-OD2 3.28Å; V132-D194 WeakPolarHBondContact CB-OD2 3.48Å; H133-D194 PolarHBondContact N-OD1 2.91Å; H133-D194 PolarHBondContact N-OD2 3.45Å; R134-D194 WeakPolarHBondContact CA-OD1 3.29Å; R134-D194 PolarHBondContact N-OD1 3.24Å; L136-D194 HydrophobicContact CD1-CB 3.86Å; P190-D194 PolarHBondContact O-N 2.81Å; P190-D194 VanDerWaalsContact O-N 3.07Å; K191-D194 PolarHBondContact O-N 3.32Å; D194-S197 PolarHBondContact O-N 2.91Å; D194-M198 WeakPolarHBondContact O-CG 3.28Å; D194-M198 PolarHBondContact O-N 3.22Å
195V98.7Very high98Very high0 Ų014.8 Ų14.80%09%0.087CC..Hα-helixtrans-62.4-42.3176.7173.10000112.4K191 Y193 M198 G199 L247 R255 P256 V261K191-V195 WeakPolarHBondContact O-CG2 3.16Å; K191-V195 PolarHBondContact O-N 3.3Å; K191-V195 VanDerWaalsContact O-N 3.12Å; Y193-V195 PolarHBondContact O-N 2.74Å; V195-M198 HydrophobicContact CB-CE 4.22Å; V195-M198 HydrophobicContact CG1-CE 4.48Å; V195-M198 HydrophobicContact CG2-CE 3.89Å; V195-M198 PolarHBondContact O-N 3.16Å; V195-G199 PolarHBondContact O-N 2.82Å; V195-G199 VanDerWaalsContact O-N 3.17Å; V195-L247 HydrophobicContact CG1-CD2 3.56Å; V195-R255 HydrophobicContact CG1-CB 4.17Å; V195-P256 HydrophobicContact CG1-CG 4.33Å; V195-V261 HydrophobicContact CG1-CG2 4.43Å
196W98.7Very high98Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-60.9-49.2173.8173-82.1000111.1A178 S179 P180 K192 Y193 M198 G199 V200 F212 Q224 L248 Q249A178-W196 PolarHBondContact O-NE1 3.21Å; A178-W196 VanDerWaalsContact O-NE1 3.11Å; S179-W196 VanDerWaalsContact CA-CD1 3.5Å; P180-W196 HydrophobicContact CG-CE3 4.44Å; P180-W196 HydrophobicContact CG-CH2 3.78Å; P180-W196 HydrophobicContact CG-CZ2 4.25Å; P180-W196 HydrophobicContact CG-CZ3 3.87Å; K192-W196 PolarHBondContact O-N 3.45Å; K192-W196 VanDerWaalsContact O-N 3.15Å; Y193-W196 WeakPolarHBondContact O-CB 3.24Å; Y193-W196 PolarHBondContact O-N 3.32Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.48Å; W196-G199 WeakPolarHBondContact O-CA 3.36Å; W196-G199 PolarHBondContact O-N 3.46Å; W196-V200 PolarHBondContact O-N 2.82Å; W196-V200 VanDerWaalsContact O-N 3.1Å; W196-F212 HydrophobicContact CH2-CE2 4.01Å; W196-F212 HydrophobicContact CH2-CZ 4.1Å; W196-F212 HydrophobicContact CZ2-CD2 4.36Å; W196-F212 AromaticContact CZ2-CE2 3.57Å; W196-F212 HydrophobicContact CZ2-CE2 3.57Å; W196-F212 HydrophobicContact CZ2-CZ 4.14Å; W196-Q224 HydrophobicContact CH2-CB 3.92Å; W196-Q224 HydrophobicContact CH2-CG 3.97Å; W196-Q224 HydrophobicContact CZ2-CB 4.18Å; W196-Q224 VanDerWaalsContact CZ2-CD 3.46Å; W196-Q224 HydrophobicContact CZ2-CG 3.69Å; W196-L248 HydrophobicContact CD2-CD2 3.97Å; W196-L248 HydrophobicContact CE3-CD2 4.18Å; W196-L248 HydrophobicContact CG-CD2 4.43Å; W196-L248 HydrophobicContact CH2-CD2 4.45Å; W196-L248 HydrophobicContact CZ2-CD2 4.24Å; W196-L248 HydrophobicContact CZ3-CB 4.3Å; W196-L248 HydrophobicContact CZ3-CD2 4.43Å; W196-L248 WeakPolarHBondContact CZ3-O 3.22Å; W196-Q249 WeakPolarHBondContact CZ3-O 3.48Å
197S98.8Very high98.1Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-62-35-179.2-57.30000112L136 Y177 Y193 D194 G199 V200 V201L136-S197 WeakPolarHBondContact O-CB 3.45Å; Y177-S197 PolarHBondContact O-OG 2.87Å; Y193-S197 WeakPolarHBondContact CE2-OG 3.31Å; Y193-S197 PolarHBondContact O-N 2.76Å; Y193-S197 PolarHBondContact O-OG 3.21Å; D194-S197 PolarHBondContact O-N 2.91Å; S197-G199 VanDerWaalsContact C-N 3.32Å; S197-G199 PolarHBondContact O-N 2.98Å; S197-V200 PolarHBondContact O-N 2.83Å; S197-V201 WeakPolarHBondContact O-CG2 3.43Å; S197-V201 PolarHBondContact O-N 3.37Å
198M98.7Very high98.1Very high1 Ų18.3 Ų8.31%0.0055%0.049CC..Hα-helixtrans-59.8-40.4168.9-72.4-167.1-61.900112.3F116 I119 V123 L136 D194 V195 W196 V200 V201 L202 A258 V261F116-M198 HydrophobicContact CE2-CB 4.08Å; F116-M198 VanDerWaalsContact CE2-O 3.29Å; F116-M198 WeakPolarHBondContact CE2-O 3.03Å; F116-M198 HydrophobicContact CZ-CB 3.99Å; I119-M198 HydrophobicContact CG2-CG 4.28Å; I119-M198 HydrophobicContact CG2-SD 4.32Å; V123-M198 HydrophobicContact CB-CE 4.43Å; V123-M198 HydrophobicContact CB-SD 3.68Å; V123-M198 HydrophobicContact CG1-CE 4.04Å; V123-M198 HydrophobicContact CG1-SD 3.84Å; V123-M198 HydrophobicContact CG2-CG 4.15Å; V123-M198 HydrophobicContact CG2-SD 3.66Å; L136-M198 HydrophobicContact CD1-CG 3.87Å; D194-M198 WeakPolarHBondContact O-CG 3.28Å; D194-M198 PolarHBondContact O-N 3.22Å; V195-M198 HydrophobicContact CB-CE 4.22Å; V195-M198 HydrophobicContact CG1-CE 4.48Å; V195-M198 HydrophobicContact CG2-CE 3.89Å; V195-M198 PolarHBondContact O-N 3.16Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.48Å; M198-V200 VanDerWaalsContact C-N 3.33Å; M198-V200 PolarHBondContact O-N 3.07Å; M198-V201 PolarHBondContact O-N 3Å; M198-L202 PolarHBondContact O-N 3.23Å; M198-A258 HydrophobicContact CE-CB 4.44Å; M198-V261 HydrophobicContact CE-CG1 4.46Å; M198-V261 HydrophobicContact CE-CG2 4.48Å
199G98.8Very high98.1Very high0 Ų010.5 Ų10.50%06%0.064CC..Hα-helixtrans-60.1-41.6175.300000112.8V195 W196 S197 L202 Y203V195-G199 PolarHBondContact O-N 2.82Å; V195-G199 VanDerWaalsContact O-N 3.17Å; W196-G199 WeakPolarHBondContact O-CA 3.36Å; W196-G199 PolarHBondContact O-N 3.46Å; S197-G199 VanDerWaalsContact C-N 3.32Å; S197-G199 PolarHBondContact O-N 2.98Å; G199-L202 PolarHBondContact O-N 2.77Å; G199-Y203 WeakPolarHBondContact O-CB 3.42Å; G199-Y203 PolarHBondContact O-N 2.84Å
200V98.8Very high98.1Very high0 Ų011.5 Ų11.50%07%0.068CC..Hα-helixtrans-64.2-45.5175-179.30000110.5Y177 W196 S197 M198 L202 Y203 V204 M210 P211 L248Y177-V200 HydrophobicContact CD1-CB 3.82Å; Y177-V200 HydrophobicContact CD1-CG1 3.43Å; Y177-V200 VanDerWaalsContact CD1-CG1 3.43Å; Y177-V200 HydrophobicContact CE1-CB 4.37Å; Y177-V200 HydrophobicContact CE1-CG1 3.7Å; Y177-V200 HydrophobicContact CG-CG1 4.13Å; W196-V200 PolarHBondContact O-N 2.82Å; W196-V200 VanDerWaalsContact O-N 3.1Å; S197-V200 PolarHBondContact O-N 2.83Å; M198-V200 VanDerWaalsContact C-N 3.33Å; M198-V200 PolarHBondContact O-N 3.07Å; V200-L202 PolarHBondContact O-N 3.07Å; V200-Y203 PolarHBondContact O-N 3.16Å; V200-V204 HydrophobicContact CG1-CG2 4.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.31Å; V200-M210 HydrophobicContact CG1-CE 3.76Å; V200-M210 HydrophobicContact CG1-SD 4.48Å; V200-P211 HydrophobicContact CB-CG 4.37Å; V200-P211 HydrophobicContact CG1-CG 3.93Å; V200-P211 HydrophobicContact CG2-CG 4.2Å; V200-L248 HydrophobicContact CG2-CD2 3.89Å
201V98.8Very high98.1Very high2 Ų212.1 Ų12.11%0.0127%0.072CC..Hα-helixtrans-58.7-48.1176.2170.20000111.4L97 I119 Y177 S197 M198 Y203 V204 M205L97-V201 HydrophobicContact CD2-CG1 3.7Å; I119-V201 HydrophobicContact CD1-CG1 4.06Å; Y177-V201 HydrophobicContact CD1-CG2 4.16Å; Y177-V201 HydrophobicContact CE1-CG2 3.89Å; S197-V201 WeakPolarHBondContact O-CG2 3.43Å; S197-V201 PolarHBondContact O-N 3.37Å; M198-V201 PolarHBondContact O-N 3Å; V201-Y203 VanDerWaalsContact C-N 3.32Å; V201-Y203 PolarHBondContact O-N 3.14Å; V201-V204 PolarHBondContact O-N 3.29Å; V201-M205 HydrophobicContact CG1-CG 4.35Å; V201-M205 HydrophobicContact CG1-SD 3.87Å; V201-M205 WeakPolarHBondContact O-CG 3.49Å; V201-M205 PolarHBondContact O-N 3.24Å
202L98.7Very high98.1Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-59.2-44.9177.8179.555.1000111.6F116 M198 G199 V200 M205 V206 L243 I244 L247 W266F116-L202 HydrophobicContact CB-CD1 4.1Å; F116-L202 HydrophobicContact CD1-CD1 4.33Å; F116-L202 HydrophobicContact CD1-CD2 4.17Å; F116-L202 HydrophobicContact CD2-CB 3.77Å; F116-L202 HydrophobicContact CD2-CD1 3.99Å; F116-L202 HydrophobicContact CD2-CG 4.31Å; F116-L202 HydrophobicContact CE1-CD2 3.99Å; F116-L202 HydrophobicContact CE2-CB 3.56Å; F116-L202 HydrophobicContact CE2-CD2 4.44Å; F116-L202 HydrophobicContact CE2-CG 4.39Å; F116-L202 HydrophobicContact CG-CB 4.38Å; F116-L202 HydrophobicContact CG-CD1 3.86Å; F116-L202 HydrophobicContact CG-CD2 4.43Å; F116-L202 HydrophobicContact CG-CG 4.45Å; F116-L202 HydrophobicContact CZ-CB 3.96Å; F116-L202 HydrophobicContact CZ-CD2 4.12Å; M198-L202 PolarHBondContact O-N 3.23Å; G199-L202 PolarHBondContact O-N 2.77Å; V200-L202 PolarHBondContact O-N 3.07Å; L202-M205 WeakPolarHBondContact O-CB 3.18Å; L202-M205 PolarHBondContact O-N 3.38Å; L202-V206 HydrophobicContact CD1-CG1 3.99Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.49Å; L202-V206 VanDerWaalsContact O-N 3.1Å; L202-L243 HydrophobicContact CD2-CD2 3.84Å; L202-L243 HydrophobicContact CD2-CG 4.03Å; L202-I244 HydrophobicContact CB-CG1 4.48Å; L202-I244 HydrophobicContact CD2-CD1 4.47Å; L202-I244 HydrophobicContact CD2-CG1 3.67Å; L202-I244 HydrophobicContact CG-CD1 4.23Å; L202-I244 HydrophobicContact CG-CG1 3.84Å; L202-L247 HydrophobicContact CD2-CD1 4.25Å; L202-W266 HydrophobicContact CD1-CH2 3.83Å; L202-W266 HydrophobicContact CD1-CZ3 3.85Å; L202-W266 HydrophobicContact CD2-CZ3 4.21Å
203Y98.6Very high97.9Very high7 Ų713.1 Ų13.13%0.0278%0.081CC..Hα-helixtrans-58.8-50.5177.8-176.7-80.4000110.8G199 V200 V201 M205 V206 T207 C209 M210 P211 V228 L229 Y230 I244G199-Y203 WeakPolarHBondContact O-CB 3.42Å; G199-Y203 PolarHBondContact O-N 2.84Å; V200-Y203 PolarHBondContact O-N 3.16Å; V201-Y203 VanDerWaalsContact C-N 3.32Å; V201-Y203 PolarHBondContact O-N 3.14Å; Y203-M205 VanDerWaalsContact C-N 3.28Å; Y203-M205 PolarHBondContact O-N 2.96Å; Y203-V206 PolarHBondContact O-N 3.48Å; Y203-T207 HydrophobicContact CD1-CG2 3.99Å; Y203-T207 VanDerWaalsContact CD1-OG1 3.28Å; Y203-T207 WeakPolarHBondContact CD1-OG1 3.4Å; Y203-T207 HydrophobicContact CD2-CG2 4.01Å; Y203-T207 HydrophobicContact CE1-CG2 3.7Å; Y203-T207 WeakPolarHBondContact CE1-OG1 3.43Å; Y203-T207 HydrophobicContact CE2-CG2 3.71Å; Y203-T207 HydrophobicContact CG-CG2 4.14Å; Y203-T207 WeakPolarHBondContact O-CB 3.35Å; Y203-T207 WeakPolarHBondContact O-CG2 3.27Å; Y203-T207 PolarHBondContact O-N 3.21Å; Y203-T207 PolarHBondContact O-OG1 3.39Å; Y203-C209 WeakPolarHBondContact CD1-O 3.48Å; Y203-C209 WeakPolarHBondContact CE1-O 3.5Å; Y203-M210 VanDerWaalsContact CE1-C 3.49Å; Y203-P211 HydrophobicContact CD1-CB 3.62Å; Y203-P211 HydrophobicContact CD1-CG 4.05Å; Y203-P211 HydrophobicContact CD2-CB 3.95Å; Y203-P211 HydrophobicContact CE1-CB 3.9Å; Y203-P211 VanDerWaalsContact CE1-N 3.34Å; Y203-P211 HydrophobicContact CE2-CB 4.21Å; Y203-P211 HydrophobicContact CG-CB 3.65Å; Y203-P211 HydrophobicContact CG-CG 4.19Å; Y203-V228 HydrophobicContact CD2-CG2 3.8Å; Y203-V228 HydrophobicContact CE2-CG2 3.51Å; Y203-L229 WeakPolarHBondContact CE2-O 3.47Å; Y203-L229 PolarHBondContact OH-O 3.49Å; Y203-Y230 HydrophobicContact CD2-CD1 4.47Å; Y203-Y230 HydrophobicContact CD2-CE1 4.07Å; Y203-Y230 AromaticContact CE2-CD1 3.79Å; Y203-Y230 HydrophobicContact CE2-CD1 3.79Å; Y203-Y230 AromaticContact CE2-CE1 3.81Å; Y203-Y230 HydrophobicContact CE2-CE1 3.81Å; Y203-I244 HydrophobicContact CD2-CD1 4.42Å; Y203-I244 HydrophobicContact CD2-CG2 4.16Å
204V98.5Very high97.5Very high5 Ų516.2 Ų16.23%0.0310%0.097CC..Hα-helixtrans-58.9-41178.31740000111.2V101 V200 V201 V206 G208 C209 M210V101-V204 HydrophobicContact CG1-CG1 4.21Å; V200-V204 HydrophobicContact CG1-CG2 4.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.31Å; V201-V204 PolarHBondContact O-N 3.29Å; V204-V206 VanDerWaalsContact C-N 3.34Å; V204-V206 PolarHBondContact O-N 2.92Å; V204-G208 WeakPolarHBondContact O-CA 3.4Å; V204-G208 PolarHBondContact O-N 2.93Å; V204-C209 WeakPolarHBondContact CA-O 3.25Å; V204-C209 WeakPolarHBondContact CG2-O 3.36Å; V204-M210 HydrophobicContact CG2-SD 3.67Å
205M98.4Very high97.2Very high0 Ų020.7 Ų20.70%013%0.128CC..Hα-helixtrans-57.6-46.1177.1-71.4169.16700112.2L97 I107 A112 L115 F116 I119 V201 L202 Y203L97-M205 HydrophobicContact CD1-CE 4.45Å; L97-M205 HydrophobicContact CD1-CG 4.06Å; L97-M205 HydrophobicContact CD1-SD 4.49Å; L97-M205 HydrophobicContact CD2-CG 3.61Å; L97-M205 HydrophobicContact CD2-SD 3.7Å; L97-M205 HydrophobicContact CG-CG 4.13Å; I107-M205 HydrophobicContact CG1-CB 4.32Å; I107-M205 PolarHBondContact N-O 3.05Å; A112-M205 HydrophobicContact CB-CE 4.16Å; A112-M205 VanDerWaalsContact O-CE 3.25Å; A112-M205 WeakPolarHBondContact O-CE 3.41Å; L115-M205 HydrophobicContact CB-CE 3.79Å; L115-M205 HydrophobicContact CD1-CE 4.47Å; F116-M205 HydrophobicContact CB-CE 4.27Å; F116-M205 HydrophobicContact CD2-SD 4.26Å; I119-M205 HydrophobicContact CD1-SD 4.1Å; V201-M205 HydrophobicContact CG1-CG 4.35Å; V201-M205 HydrophobicContact CG1-SD 3.87Å; V201-M205 WeakPolarHBondContact O-CG 3.49Å; V201-M205 PolarHBondContact O-N 3.24Å; L202-M205 WeakPolarHBondContact O-CB 3.18Å; L202-M205 PolarHBondContact O-N 3.38Å; Y203-M205 VanDerWaalsContact C-N 3.28Å; Y203-M205 PolarHBondContact O-N 2.96Å
206V97.7Very high96.9Very high4 Ų424.2 Ų24.22%0.02415%0.147CC..Hα-helixtrans-92.3-17.3-170.8-56.30000113.8R106 A112 L202 Y203 V204 L236 I244R106-V206 WeakPolarHBondContact CD-O 3.47Å; A112-V206 HydrophobicContact CB-CG1 3.82Å; L202-V206 HydrophobicContact CD1-CG1 3.99Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.49Å; L202-V206 VanDerWaalsContact O-N 3.1Å; Y203-V206 PolarHBondContact O-N 3.48Å; V204-V206 VanDerWaalsContact C-N 3.34Å; V204-V206 PolarHBondContact O-N 2.92Å; V206-L236 HydrophobicContact CB-CD1 4.45Å; V206-L236 HydrophobicContact CB-CD2 3.82Å; V206-L236 HydrophobicContact CG2-CD1 3.73Å; V206-L236 HydrophobicContact CG2-CD2 4.03Å; V206-I244 HydrophobicContact CG2-CD1 3.91Å
207T97.5Very high96.7Very high15 Ų1527.6 Ų27.69%0.09216%0.164CC..Hα-helixtrans-110.1-27.1-179.270.30000113.6Y203 C209 Y230 L234 L236Y203-T207 HydrophobicContact CD1-CG2 3.99Å; Y203-T207 VanDerWaalsContact CD1-OG1 3.28Å; Y203-T207 WeakPolarHBondContact CD1-OG1 3.4Å; Y203-T207 HydrophobicContact CD2-CG2 4.01Å; Y203-T207 HydrophobicContact CE1-CG2 3.7Å; Y203-T207 WeakPolarHBondContact CE1-OG1 3.43Å; Y203-T207 HydrophobicContact CE2-CG2 3.71Å; Y203-T207 HydrophobicContact CG-CG2 4.14Å; Y203-T207 WeakPolarHBondContact O-CB 3.35Å; Y203-T207 WeakPolarHBondContact O-CG2 3.27Å; Y203-T207 PolarHBondContact O-N 3.21Å; Y203-T207 PolarHBondContact O-OG1 3.39Å; T207-C209 VanDerWaalsContact C-N 3.28Å; T207-C209 PolarHBondContact OG1-N 2.93Å; T207-C209 VanDerWaalsContact OG1-N 3.14Å; T207-C209 PolarHBondContact OG1-O 3.28Å; T207-C209 PolarHBondContact OG1-SG 3.34Å; T207-C209 VanDerWaalsContact OG1-SG 3.38Å; T207-Y230 HydrophobicContact CG2-CD1 4.28Å; T207-L234 HydrophobicContact CG2-CD2 3.63Å; T207-L236 HydrophobicContact CG2-CD1 4.35Å
208G97.2Very high96.4Very high32 Ų3231.9 Ų31.933%0.3320%0.2SC..SBendtrans81.7-0.2-171.600000115.3G105 V204G105-G208 WeakPolarHBondContact O-CA 3.34Å; V204-G208 WeakPolarHBondContact O-CA 3.4Å; V204-G208 PolarHBondContact O-N 2.93Å
209C96.8Very high96.3Very high49 Ų4932.3 Ų32.333%0.33121%0.205SC..SBendtrans-133.8167.9-177.3650000112Y203 V204 T207Y203-C209 WeakPolarHBondContact CD1-O 3.48Å; Y203-C209 WeakPolarHBondContact CE1-O 3.5Å; V204-C209 WeakPolarHBondContact CA-O 3.25Å; V204-C209 WeakPolarHBondContact CG2-O 3.36Å; T207-C209 VanDerWaalsContact C-N 3.28Å; T207-C209 PolarHBondContact OG1-N 2.93Å; T207-C209 VanDerWaalsContact OG1-N 3.14Å; T207-C209 PolarHBondContact OG1-O 3.28Å; T207-C209 PolarHBondContact OG1-SG 3.34Å; T207-C209 VanDerWaalsContact OG1-SG 3.38Å
210M97.4Very high96.1Very high51 Ų5132.4 Ų32.425%0.25121%0.205SC..  trans-73142.1174.6-68.6-62.2-64.200110.8A176 V200 Y203 V204 F212A176-M210 HydrophobicContact CB-CE 3.56Å; A176-M210 VanDerWaalsContact O-CE 3.27Å; A176-M210 WeakPolarHBondContact O-CE 3.19Å; V200-M210 HydrophobicContact CG1-CE 3.76Å; V200-M210 HydrophobicContact CG1-SD 4.48Å; Y203-M210 VanDerWaalsContact CE1-C 3.49Å; V204-M210 HydrophobicContact CG2-SD 3.67Å; M210-F212 PolarHBondContact O-N 3Å
211P97.6Very high96Very high12 Ų1233 Ų338%0.07821%0.209CC..SBendtrans-67.6-24.9177.524.8-32.2000113.3V200 Y203 L248V200-P211 HydrophobicContact CB-CG 4.37Å; V200-P211 HydrophobicContact CG1-CG 3.93Å; V200-P211 HydrophobicContact CG2-CG 4.2Å; Y203-P211 HydrophobicContact CD1-CB 3.62Å; Y203-P211 HydrophobicContact CD1-CG 4.05Å; Y203-P211 HydrophobicContact CD2-CB 3.95Å; Y203-P211 HydrophobicContact CE1-CB 3.9Å; Y203-P211 VanDerWaalsContact CE1-N 3.34Å; Y203-P211 HydrophobicContact CE2-CB 4.21Å; Y203-P211 HydrophobicContact CG-CB 3.65Å; Y203-P211 HydrophobicContact CG-CG 4.19Å; P211-L248 HydrophobicContact CB-CD1 4.2Å; P211-L248 HydrophobicContact CG-CD1 4.46Å
212F96.8Very high95.9Very high12 Ų1242.8 Ų42.85%0.05325%0.246CC..SBendtrans-135.5133179.6-45.4-70.1000107.8W196 M210 D214 L220 Q224 L248W196-F212 HydrophobicContact CH2-CE2 4.01Å; W196-F212 HydrophobicContact CH2-CZ 4.1Å; W196-F212 HydrophobicContact CZ2-CD2 4.36Å; W196-F212 AromaticContact CZ2-CE2 3.57Å; W196-F212 HydrophobicContact CZ2-CE2 3.57Å; W196-F212 HydrophobicContact CZ2-CZ 4.14Å; M210-F212 PolarHBondContact O-N 3Å; F212-D214 PolarHBondContact O-N 3.1Å; F212-L220 HydrophobicContact CB-CD1 3.6Å; F212-Q224 HydrophobicContact CD1-CG 4.2Å; F212-Q224 HydrophobicContact CD2-CG 3.71Å; F212-Q224 HydrophobicContact CE1-CB 4.48Å; F212-Q224 HydrophobicContact CE1-CG 4.33Å; F212-Q224 HydrophobicContact CE2-CG 3.86Å; F212-Q224 HydrophobicContact CG-CG 3.9Å; F212-Q224 HydrophobicContact CZ-CB 4.46Å; F212-Q224 HydrophobicContact CZ-CG 4.16Å; F212-L248 HydrophobicContact CE2-CD1 4.31Å; F212-L248 HydrophobicContact CZ-CD1 4.24Å
213D92.3Very high95.7Very high85 Ų8546.4 Ų46.446%0.45526%0.26SS..  trans-64.5120.5174.5165.617.8000109.5S215 L220 R223D213-S215 VanDerWaalsContact CG-OG 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.18Å; D213-S215 PolarHBondContact OD1-N 2.8Å; D213-S215 PolarHBondContact OD1-OG 2.87Å; D213-S215 PolarHBondContact OD2-OG 3.3Å; D213-L220 VanDerWaalsContact O-CD1 3.3Å; D213-L220 WeakPolarHBondContact O-CD1 3.34Å; D213-R223 PolarHBondContact O-NH1 3.2Å; D213-R223 IonicContact OD1-NH1 3.54Å; D213-R223 IonicContact OD2-CZ 3.64Å; D213-R223 IonicContact OD2-NH1 2.69Å; D213-R223 PolarHBondContact OD2-NH1 3.35Å; D213-R223 IonicContact OD2-NH2 3.78Å
214D90.7Very high95.7Very high65 Ų6546.1 Ų46.135%0.34826%0.259SS..  trans-102.99.1-173.365.7-29.3000113.2A176 F212 D216 I217A176-D214 HydrophobicContact CB-CB 4.05Å; A176-D214 WeakPolarHBondContact CB-OD2 3.39Å; F212-D214 PolarHBondContact O-N 3.1Å; D214-D216 PolarHBondContact O-N 3.03Å; D214-I217 HydrophobicContact CB-CD1 4.2Å; D214-I217 WeakPolarHBondContact O-CD1 3.34Å
215S92.2Very high95.6Very high94 Ų9453.3 Ų53.366%0.65729%0.29SS*.SBendtrans-60.6-29.1173.158.50000113.3D213D213-S215 VanDerWaalsContact CG-OG 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.18Å; D213-S215 PolarHBondContact OD1-N 2.8Å; D213-S215 PolarHBondContact OD1-OG 2.87Å; D213-S215 PolarHBondContact OD2-OG 3.3Å
216D93Very high95.5Very high74 Ų7464 Ų6440%0.39633%0.33SS..  trans-121.792.7173.2173.222.1000110.2D214 A218 G219 L220D214-D216 PolarHBondContact O-N 3.03Å; D216-A218 PolarHBondContact O-N 3.06Å; D216-A218 WeakPolarHBondContact OD1-CB 3.23Å; D216-A218 PolarHBondContact OD1-N 2.82Å; D216-A218 VanDerWaalsContact OD1-N 3.14Å; D216-G219 PolarHBondContact O-N 3.15Å; D216-G219 VanDerWaalsContact O-N 3.14Å; D216-G219 PolarHBondContact OD1-N 2.78Å; D216-G219 WeakPolarHBondContact OD2-CA 3.49Å; D216-G219 PolarHBondContact OD2-N 3.37Å; D216-L220 PolarHBondContact O-N 3.17Å
217I92.9Very high95.3Very high71 Ų7165.5 Ų65.536%0.36435%0.346SS..THydrogen-bonded Turntrans-59.7-33179.8-58.2-58.1000111.8A175 L183 D214 G219 L220A175-I217 HydrophobicContact CB-CD1 3.75Å; A175-I217 HydrophobicContact CB-CG1 4.33Å; A175-I217 HydrophobicContact CB-CG2 4.08Å; L183-I217 HydrophobicContact CD2-CG2 4.15Å; D214-I217 HydrophobicContact CB-CD1 4.2Å; D214-I217 WeakPolarHBondContact O-CD1 3.34Å; I217-G219 VanDerWaalsContact C-N 3.35Å; I217-L220 HydrophobicContact CD1-CD2 4.5Å; I217-L220 VanDerWaalsContact O-CB 3.3Å; I217-L220 WeakPolarHBondContact O-CB 3.49Å; I217-L220 PolarHBondContact O-N 2.78Å
218A93.3Very high95.2Very high90 Ų9066.1 Ų66.174%0.74435%0.349SS*.THydrogen-bonded Turntrans-70.9-32.9179.600000111.9D216 L220D216-A218 PolarHBondContact O-N 3.06Å; D216-A218 WeakPolarHBondContact OD1-CB 3.23Å; D216-A218 PolarHBondContact OD1-N 2.82Å; D216-A218 VanDerWaalsContact OD1-N 3.14Å; A218-L220 VanDerWaalsContact C-N 3.34Å
219G95.6Very high95.1Very high11 Ų1171.3 Ų71.311%0.11337%0.369CS..THydrogen-bonded Turntrans-77.9-15174.300000114.6D216 I217 R222 R223D216-G219 PolarHBondContact O-N 3.15Å; D216-G219 VanDerWaalsContact O-N 3.14Å; D216-G219 PolarHBondContact OD1-N 2.78Å; D216-G219 WeakPolarHBondContact OD2-CA 3.49Å; D216-G219 PolarHBondContact OD2-N 3.37Å; I217-G219 VanDerWaalsContact C-N 3.35Å; G219-R222 WeakPolarHBondContact O-CB 3.25Å; G219-R222 PolarHBondContact O-N 3.03Å; G219-R222 VanDerWaalsContact O-N 3.09Å; G219-R223 PolarHBondContact O-N 2.98Å
220L95.7Very high95.1Very high1 Ų172.4 Ų72.41%0.00537%0.366CS..Hα-helixtrans-58-44.6-170.7-16363.4000113.8L183 F212 D213 D216 I217 A218 R222 R223 Q224L183-L220 HydrophobicContact CD1-CB 4.12Å; L183-L220 HydrophobicContact CD1-CD2 3.72Å; L183-L220 HydrophobicContact CD1-CG 4.01Å; F212-L220 HydrophobicContact CB-CD1 3.6Å; D213-L220 VanDerWaalsContact O-CD1 3.3Å; D213-L220 WeakPolarHBondContact O-CD1 3.34Å; D216-L220 PolarHBondContact O-N 3.17Å; I217-L220 HydrophobicContact CD1-CD2 4.5Å; I217-L220 VanDerWaalsContact O-CB 3.3Å; I217-L220 WeakPolarHBondContact O-CB 3.49Å; I217-L220 PolarHBondContact O-N 2.78Å; A218-L220 VanDerWaalsContact C-N 3.34Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.07Å; L220-R223 WeakPolarHBondContact O-CB 3.16Å; L220-R223 PolarHBondContact O-N 3.42Å; L220-Q224 HydrophobicContact CG-CG 4.4Å; L220-Q224 VanDerWaalsContact O-CG 3.31Å; L220-Q224 WeakPolarHBondContact O-CG 3.31Å; L220-Q224 PolarHBondContact O-N 2.84Å
221P96.6Very high94.9Very high13 Ų1372.4 Ų72.48%0.08437%0.37CS..Hα-helixtrans-59.6-35.3177.1-25.636000113.5L183 L184 R223 K225 F250L183-P221 HydrophobicContact CB-CG 3.73Å; L183-P221 HydrophobicContact CD1-CG 4.16Å; L184-P221 HydrophobicContact CD1-CB 4.35Å; L184-P221 HydrophobicContact CD2-CB 3.95Å; L184-P221 HydrophobicContact CD2-CG 4.03Å; L184-P221 HydrophobicContact CG-CB 4.05Å; L184-P221 HydrophobicContact CG-CG 4.14Å; P221-R223 VanDerWaalsContact C-N 3.33Å; P221-K225 WeakPolarHBondContact O-CB 3.21Å; P221-K225 PolarHBondContact O-N 3.24Å; P221-F250 WeakPolarHBondContact O-CE2 3.41Å
222R96.4Very high94.7Very high208 Ų20881.4 Ų81.479%0.78541%0.411SS*.Hα-helixtrans-67.3-36.1177.2-67.5-178.7176.6-177.2-0.6111.5G219 L220G219-R222 WeakPolarHBondContact O-CB 3.25Å; G219-R222 PolarHBondContact O-N 3.03Å; G219-R222 VanDerWaalsContact O-N 3.09Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.07Å
223R95.7Very high94.5Very high75 Ų7584.7 Ų84.728%0.28345%0.448SS..Hα-helixtrans-71.3-46.6176.6-61.6172.4-171.5-161.5-6.6110.6D213 G219 L220 P221 K225 R226D213-R223 PolarHBondContact O-NH1 3.2Å; D213-R223 IonicContact OD1-NH1 3.54Å; D213-R223 IonicContact OD2-CZ 3.64Å; D213-R223 IonicContact OD2-NH1 2.69Å; D213-R223 PolarHBondContact OD2-NH1 3.35Å; D213-R223 IonicContact OD2-NH2 3.78Å; G219-R223 PolarHBondContact O-N 2.98Å; L220-R223 WeakPolarHBondContact O-CB 3.16Å; L220-R223 PolarHBondContact O-N 3.42Å; P221-R223 VanDerWaalsContact C-N 3.33Å; R223-K225 PolarHBondContact O-N 3.37Å; R223-R226 WeakPolarHBondContact O-CB 3.41Å; R223-R226 PolarHBondContact O-N 3.09Å
224Q97.2Very high94.4Very high2 Ų281.7 Ų81.71%0.00943%0.432CS..Hα-helixtrans-54.4-38.6174.4-70.7176.7-13.900112.4A178 P180 W196 F212 L220 R226 G227 F250A178-Q224 PolarHBondContact O-NE2 3.28Å; P180-Q224 VanDerWaalsContact CA-OE1 3.27Å; P180-Q224 HydrophobicContact CG-CB 4.23Å; P180-Q224 VanDerWaalsContact CG-OE1 3.24Å; W196-Q224 HydrophobicContact CH2-CB 3.92Å; W196-Q224 HydrophobicContact CH2-CG 3.97Å; W196-Q224 HydrophobicContact CZ2-CB 4.18Å; W196-Q224 VanDerWaalsContact CZ2-CD 3.46Å; W196-Q224 HydrophobicContact CZ2-CG 3.69Å; F212-Q224 HydrophobicContact CD1-CG 4.2Å; F212-Q224 HydrophobicContact CD2-CG 3.71Å; F212-Q224 HydrophobicContact CE1-CB 4.48Å; F212-Q224 HydrophobicContact CE1-CG 4.33Å; F212-Q224 HydrophobicContact CE2-CG 3.86Å; F212-Q224 HydrophobicContact CG-CG 3.9Å; F212-Q224 HydrophobicContact CZ-CB 4.46Å; F212-Q224 HydrophobicContact CZ-CG 4.16Å; L220-Q224 HydrophobicContact CG-CG 4.4Å; L220-Q224 VanDerWaalsContact O-CG 3.31Å; L220-Q224 WeakPolarHBondContact O-CG 3.31Å; L220-Q224 PolarHBondContact O-N 2.84Å; Q224-R226 VanDerWaalsContact C-N 3.27Å; Q224-R226 PolarHBondContact O-N 2.66Å; Q224-G227 PolarHBondContact O-N 2.98Å; Q224-F250 HydrophobicContact CB-CD2 4.35Å; Q224-F250 HydrophobicContact CB-CE2 4.47Å
225K96.8Very high94.5Very high156 Ų15687.2 Ų87.268%0.67846%0.456SS*.Hα-helixtrans-64.9-25.8177.1-166.5173.9-179.6179.90114.1P221 R223 G227 F250P221-K225 WeakPolarHBondContact O-CB 3.21Å; P221-K225 PolarHBondContact O-N 3.24Å; R223-K225 PolarHBondContact O-N 3.37Å; K225-G227 PolarHBondContact O-N 3.18Å; K225-F250 VanDerWaalsContact CA-CD2 3.47Å; K225-F250 HydrophobicContact CB-CD2 3.75Å; K225-F250 HydrophobicContact CB-CE2 3.62Å; K225-F250 HydrophobicContact CB-CG 4.43Å; K225-F250 HydrophobicContact CB-CZ 4.21Å; K225-F250 HydrophobicContact CD-CZ 4.37Å; K225-F250 HydrophobicContact CG-CD2 4.17Å; K225-F250 HydrophobicContact CG-CE2 4.16Å; K225-F250 HydrophobicContact CG-CG 4.38Å; K225-F250 HydrophobicContact CG-CZ 4.36Å
226R95.5Very high94.5Very high225 Ų22584 Ų8485%0.84943%0.431SS*.Hα-helixtrans-75.7-14.8178.1-64.3179.5-178.1-160.9-1.2112.8R223 Q224R223-R226 WeakPolarHBondContact O-CB 3.41Å; R223-R226 PolarHBondContact O-N 3.09Å; Q224-R226 VanDerWaalsContact C-N 3.27Å; Q224-R226 PolarHBondContact O-N 2.66Å
227G93.9Very high94.5Very high34 Ų3482.2 Ų82.235%0.35143%0.425SS..  trans87.7170.2-172.800000112.7Q224 K225Q224-G227 PolarHBondContact O-N 2.98Å; K225-G227 PolarHBondContact O-N 3.18Å
228V95.4Very high94.5Very high28 Ų2885.2 Ų85.217%0.1744%0.437CS..  trans-78.9138.4-179.116.60000109.9Y203 Y230 I244 L248Y203-V228 HydrophobicContact CD2-CG2 3.8Å; Y203-V228 HydrophobicContact CE2-CG2 3.51Å; V228-Y230 HydrophobicContact CG2-CD2 4.39Å; V228-Y230 HydrophobicContact CG2-CE1 4.11Å; V228-Y230 HydrophobicContact CG2-CE2 3.85Å; V228-I244 HydrophobicContact CG1-CG2 4.22Å; V228-I244 HydrophobicContact CG2-CG2 4.32Å; V228-L248 HydrophobicContact CB-CD1 4.34Å; V228-L248 HydrophobicContact CG1-CB 4.3Å; V228-L248 HydrophobicContact CG1-CD1 3.96Å
229L95.2Very high94.6Very high142 Ų14285.7 Ų85.774%0.74342%0.42SS*.  trans-110.3158.8167.3-61.6177.2000108.9Y203Y203-L229 WeakPolarHBondContact CE2-O 3.47Å; Y203-L229 PolarHBondContact OH-O 3.49Å
230Y96.2Very high94.6Very high71 Ų7185.3 Ų85.328%0.27842%0.415SS..  trans-115.3149.5179-62.8-86.7000110.5Y203 T207 V228 L236 K241 I244Y203-Y230 HydrophobicContact CD2-CD1 4.47Å; Y203-Y230 HydrophobicContact CD2-CE1 4.07Å; Y203-Y230 AromaticContact CE2-CD1 3.79Å; Y203-Y230 HydrophobicContact CE2-CD1 3.79Å; Y203-Y230 AromaticContact CE2-CE1 3.81Å; Y203-Y230 HydrophobicContact CE2-CE1 3.81Å; T207-Y230 HydrophobicContact CG2-CD1 4.28Å; V228-Y230 HydrophobicContact CG2-CD2 4.39Å; V228-Y230 HydrophobicContact CG2-CE1 4.11Å; V228-Y230 HydrophobicContact CG2-CE2 3.85Å; Y230-L236 HydrophobicContact CD1-CD1 3.73Å; Y230-L236 HydrophobicContact CE1-CD1 3.78Å; Y230-K241 HydrophobicContact CE1-CG 4.24Å; Y230-K241 HydrophobicContact CE2-CD 4.32Å; Y230-K241 HydrophobicContact CE2-CG 4.18Å; Y230-K241 WeakPolarHBondContact OH-CA 3.48Å; Y230-I244 HydrophobicContact CE1-CD1 4.16Å
231P94.5Very high94.6Very high51 Ų5187.9 Ų87.933%0.33143%0.426SS..  trans-56.9141.8173.4-23.534000111.8L234P231-L234 HydrophobicContact CB-CB 4.31Å; P231-L234 HydrophobicContact CG-CD2 4.31Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.41Å; P231-L234 PolarHBondContact O-N 3.49Å
232E93.1Very high94.6Very high202 Ų20289.4 Ų89.494%0.94444%0.44SS*.THydrogen-bonded Turntrans-62.4138.1178.1-165.9171-170.600111L234E232-L234 PolarHBondContact O-N 3.28Å
233G91.9Very high94.7Very high80 Ų8079.5 Ų79.583%0.82540%0.403SS*.THydrogen-bonded Turntrans74.80.6-17700000115.5E235G233-E235 PolarHBondContact O-N 2.77Å
234L91.6Very high94.8Very high23 Ų2376 Ų7612%0.1239%0.389CS..  trans-79113.5174.9-17669.6000111.3R106 T207 P231 E232 L236R106-L234 VanDerWaalsContact CZ-CD1 3.43Å; T207-L234 HydrophobicContact CG2-CD2 3.63Å; P231-L234 HydrophobicContact CB-CB 4.31Å; P231-L234 HydrophobicContact CG-CD2 4.31Å; P231-L234 VanDerWaalsContact O-CB 3.31Å; P231-L234 WeakPolarHBondContact O-CB 3.41Å; P231-L234 PolarHBondContact O-N 3.49Å; E232-L234 PolarHBondContact O-N 3.28Å; L234-L236 HydrophobicContact CD2-CD1 3.78Å; L234-L236 HydrophobicContact CD2-CD2 4.26Å; L234-L236 HydrophobicContact CD2-CG 3.87Å; L234-L236 HydrophobicContact CG-CD1 4.41Å; L234-L236 HydrophobicContact CG-CD2 4.33Å; L234-L236 HydrophobicContact CG-CG 3.97Å
235E91.5Very high94.8Very high180 Ų18077.8 Ų77.884%0.84141%0.405SS*.  trans-85.5113.8171-63.1-169.4152.500110.9G233G233-E235 PolarHBondContact O-N 2.77Å
236L92.7Very high94.9Very high27 Ų2774.4 Ų74.414%0.14139%0.392CS..  trans-124.5144.7169.9-64.1176.7000108.7V206 T207 Y230 L234 K241V206-L236 HydrophobicContact CB-CD1 4.45Å; V206-L236 HydrophobicContact CB-CD2 3.82Å; V206-L236 HydrophobicContact CG2-CD1 3.73Å; V206-L236 HydrophobicContact CG2-CD2 4.03Å; T207-L236 HydrophobicContact CG2-CD1 4.35Å; Y230-L236 HydrophobicContact CD1-CD1 3.73Å; Y230-L236 HydrophobicContact CE1-CD1 3.78Å; L234-L236 HydrophobicContact CD2-CD1 3.78Å; L234-L236 HydrophobicContact CD2-CD2 4.26Å; L234-L236 HydrophobicContact CD2-CG 3.87Å; L234-L236 HydrophobicContact CG-CD1 4.41Å; L234-L236 HydrophobicContact CG-CD2 4.33Å; L234-L236 HydrophobicContact CG-CG 3.97Å; L236-K241 HydrophobicContact CB-CG 4.1Å; L236-K241 WeakPolarHBondContact O-CE 3.23Å
237S92.7Very high95Very high37 Ų3763.7 Ų63.726%0.25935%0.351SS..  trans-62.3144175.477.10000110.9R239 C240 K241 W266 D271S237-R239 PolarHBondContact O-N 2.95Å; S237-C240 WeakPolarHBondContact O-CB 3.47Å; S237-C240 PolarHBondContact O-N 3.24Å; S237-C240 PolarHBondContact OG-N 3.36Å; S237-K241 PolarHBondContact O-N 3.24Å; S237-W266 PolarHBondContact OG-NE1 3.43Å; S237-D271 WeakPolarHBondContact CB-OD1 3.44Å; S237-D271 PolarHBondContact OG-OD1 3.19Å; S237-D271 PolarHBondContact OG-OD2 3.28Å
238E93.5Very high95.3Very high133 Ų13362.5 Ų62.562%0.62134%0.337SS*.Hα-helixtrans-59.5-30.6179.2-67-55.2121.700111.9K241 A242E238-K241 PolarHBondContact O-N 3.24Å; E238-K241 IonicContact OE1-NZ 2.67Å; E238-K241 PolarHBondContact OE1-NZ 2.95Å; E238-A242 VanDerWaalsContact O-CB 3.25Å; E238-A242 WeakPolarHBondContact O-CB 3.43Å; E238-A242 PolarHBondContact O-N 3.22Å
239R94.7Very high95.4Very high101 Ų10164.9 Ų64.938%0.38135%0.346SS..Hα-helixtrans-65.4-39.8173.5-69.4-174.9-179159.45.2112.5S237 L243 W266 G270S237-R239 PolarHBondContact O-N 2.95Å; R239-L243 PolarHBondContact O-N 2.77Å; R239-L243 VanDerWaalsContact O-N 3.1Å; R239-W266 HydrophobicContact CB-CB 3.93Å; R239-W266 HydrophobicContact CB-CG 4.07Å; R239-G270 PolarHBondContact NH1-O 3.23Å; R239-G270 VanDerWaalsContact NH1-O 3.16Å
240C95.8Very high95.5Very high3 Ų361.3 Ų61.32%0.0233%0.325CS..Hα-helixtrans-64.8-48.4174.8-172.70000110.9S237 A242 L243 I244 W266S237-C240 WeakPolarHBondContact O-CB 3.47Å; S237-C240 PolarHBondContact O-N 3.24Å; S237-C240 PolarHBondContact OG-N 3.36Å; C240-A242 VanDerWaalsContact C-N 3.31Å; C240-A242 PolarHBondContact O-N 3.44Å; C240-L243 PolarHBondContact O-N 2.95Å; C240-I244 WeakPolarHBondContact O-CG1 3.29Å; C240-I244 PolarHBondContact O-N 3.07Å; C240-W266 HydrophobicContact CB-CD2 4.23Å; C240-W266 HydrophobicContact CB-CZ2 3.97Å
241K96.5Very high95.6Very high54 Ų5460.3 Ų60.324%0.23533%0.328CS..Hα-helixtrans-59.9-41.4177.2-64.5179.8-169.8161.10112Y230 L236 S237 E238 I244 A245Y230-K241 HydrophobicContact CE1-CG 4.24Å; Y230-K241 HydrophobicContact CE2-CD 4.32Å; Y230-K241 HydrophobicContact CE2-CG 4.18Å; Y230-K241 WeakPolarHBondContact OH-CA 3.48Å; L236-K241 HydrophobicContact CB-CG 4.1Å; L236-K241 WeakPolarHBondContact O-CE 3.23Å; S237-K241 PolarHBondContact O-N 3.24Å; E238-K241 PolarHBondContact O-N 3.24Å; E238-K241 IonicContact OE1-NZ 2.67Å; E238-K241 PolarHBondContact OE1-NZ 2.95Å; K241-I244 PolarHBondContact O-N 2.74Å; K241-A245 WeakPolarHBondContact O-CB 3.35Å; K241-A245 PolarHBondContact O-N 3.35Å
242A96.4Very high95.7Very high46 Ų4659.7 Ų59.738%0.3832%0.324SS..Hα-helixtrans-60.7-46.1176.700000111.6E238 C240 I244 A245 E246E238-A242 VanDerWaalsContact O-CB 3.25Å; E238-A242 WeakPolarHBondContact O-CB 3.43Å; E238-A242 PolarHBondContact O-N 3.22Å; C240-A242 VanDerWaalsContact C-N 3.31Å; C240-A242 PolarHBondContact O-N 3.44Å; A242-I244 PolarHBondContact O-N 3.17Å; A242-A245 PolarHBondContact O-N 2.82Å; A242-E246 WeakPolarHBondContact O-CG 3.36Å; A242-E246 PolarHBondContact O-N 3.36Å
243L97.7Very high95.8Very high0 Ų054.9 Ų54.90%031%0.313CS..Hα-helixtrans-62.2-44.3176176.258.9000112F116 L202 R239 C240 A245 E246 L247 V261 N264 W266 L267F116-L243 HydrophobicContact CD1-CD2 4.36Å; F116-L243 HydrophobicContact CE1-CD2 4.03Å; L202-L243 HydrophobicContact CD2-CD2 3.84Å; L202-L243 HydrophobicContact CD2-CG 4.03Å; R239-L243 PolarHBondContact O-N 2.77Å; R239-L243 VanDerWaalsContact O-N 3.1Å; C240-L243 PolarHBondContact O-N 2.95Å; L243-A245 VanDerWaalsContact C-N 3.29Å; L243-A245 PolarHBondContact O-N 3.11Å; L243-E246 WeakPolarHBondContact O-CB 3.36Å; L243-E246 PolarHBondContact O-N 3.45Å; L243-L247 HydrophobicContact CD1-CD1 3.99Å; L243-L247 HydrophobicContact CD1-CD2 4.41Å; L243-L247 HydrophobicContact CD1-CG 3.98Å; L243-L247 HydrophobicContact CG-CD1 3.98Å; L243-L247 HydrophobicContact CG-CG 4.4Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 3.26Å; L243-V261 HydrophobicContact CD1-CG1 4.3Å; L243-N264 HydrophobicContact CD1-CB 4.13Å; L243-W266 HydrophobicContact CD2-CE3 3.62Å; L243-W266 HydrophobicContact CD2-CZ3 4.19Å; L243-L267 HydrophobicContact CD2-CD1 4.48Å; L243-L267 HydrophobicContact CD2-CD2 4.37Å; L243-L267 HydrophobicContact CD2-CG 4.26Å
244I98.3Very high96Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-58.1-44.5175.8-68.8170.5000110.5L202 Y203 V206 V228 Y230 C240 K241 A242 E246 L247 L248L202-I244 HydrophobicContact CB-CG1 4.48Å; L202-I244 HydrophobicContact CD2-CD1 4.47Å; L202-I244 HydrophobicContact CD2-CG1 3.67Å; L202-I244 HydrophobicContact CG-CD1 4.23Å; L202-I244 HydrophobicContact CG-CG1 3.84Å; Y203-I244 HydrophobicContact CD2-CD1 4.42Å; Y203-I244 HydrophobicContact CD2-CG2 4.16Å; V206-I244 HydrophobicContact CG2-CD1 3.91Å; V228-I244 HydrophobicContact CG1-CG2 4.22Å; V228-I244 HydrophobicContact CG2-CG2 4.32Å; Y230-I244 HydrophobicContact CE1-CD1 4.16Å; C240-I244 WeakPolarHBondContact O-CG1 3.29Å; C240-I244 PolarHBondContact O-N 3.07Å; K241-I244 PolarHBondContact O-N 2.74Å; A242-I244 PolarHBondContact O-N 3.17Å; I244-E246 PolarHBondContact O-N 3.25Å; I244-L247 PolarHBondContact O-N 3.34Å; I244-L248 HydrophobicContact CG2-CD1 3.79Å; I244-L248 HydrophobicContact CG2-CG 4.38Å; I244-L248 WeakPolarHBondContact O-CB 3.49Å; I244-L248 WeakPolarHBondContact O-CG 3.19Å; I244-L248 PolarHBondContact O-N 2.85Å
245A97.6Very high96.3Very high41 Ų4152.7 Ų52.734%0.33929%0.29SS..Hα-helixtrans-64.9-3617800000112.9K241 A242 L243 Q249K241-A245 WeakPolarHBondContact O-CB 3.35Å; K241-A245 PolarHBondContact O-N 3.35Å; A242-A245 PolarHBondContact O-N 2.82Å; L243-A245 VanDerWaalsContact C-N 3.29Å; L243-A245 PolarHBondContact O-N 3.11Å; A245-Q249 WeakPolarHBondContact O-CG 3.3Å; A245-Q249 PolarHBondContact O-NE2 3.49Å
246E97.9Very high96.6Very high84 Ų8445 Ų4539%0.39326%0.255SS..Hα-helixtrans-64.9-41.4173.3-73.9173.2-168.400112.1A242 L243 I244 Q249 P256 N264A242-E246 WeakPolarHBondContact O-CG 3.36Å; A242-E246 PolarHBondContact O-N 3.36Å; L243-E246 WeakPolarHBondContact O-CB 3.36Å; L243-E246 PolarHBondContact O-N 3.45Å; I244-E246 PolarHBondContact O-N 3.25Å; E246-Q249 WeakPolarHBondContact O-CG 3.43Å; E246-P256 HydrophobicContact CB-CG 4.45Å; E246-P256 WeakPolarHBondContact O-CD 3.4Å; E246-N264 PolarHBondContact OE2-ND2 3.42Å; E246-N264 VanDerWaalsContact OE2-ND2 3.12Å
247L98.7Very high96.9Very high0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-72.8-40.4-178.6-65.2172.4000112.2F116 V195 L202 L243 I244 Q249 P256 V261F116-L247 HydrophobicContact CE1-CD1 4.17Å; F116-L247 HydrophobicContact CZ-CD1 3.74Å; V195-L247 HydrophobicContact CG1-CD2 3.56Å; L202-L247 HydrophobicContact CD2-CD1 4.25Å; L243-L247 HydrophobicContact CD1-CD1 3.99Å; L243-L247 HydrophobicContact CD1-CD2 4.41Å; L243-L247 HydrophobicContact CD1-CG 3.98Å; L243-L247 HydrophobicContact CG-CD1 3.98Å; L243-L247 HydrophobicContact CG-CG 4.4Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 3.26Å; I244-L247 PolarHBondContact O-N 3.34Å; L247-Q249 VanDerWaalsContact C-N 3.26Å; L247-Q249 PolarHBondContact O-N 3.2Å; L247-P256 HydrophobicContact CD2-CG 4.21Å; L247-V261 HydrophobicContact CD2-CB 4.43Å; L247-V261 HydrophobicContact CD2-CG1 4.08Å; L247-V261 HydrophobicContact CD2-CG2 3.42Å; L247-V261 VanDerWaalsContact CD2-CG2 3.42Å
248L98.6Very high97.1Very high9 Ų944.3 Ų44.35%0.04725%0.252CS..THydrogen-bonded Turntrans-91.632.9-176.5-61-177.3000113W196 V200 P211 F212 V228 I244 F250W196-L248 HydrophobicContact CD2-CD2 3.97Å; W196-L248 HydrophobicContact CE3-CD2 4.18Å; W196-L248 HydrophobicContact CG-CD2 4.43Å; W196-L248 HydrophobicContact CH2-CD2 4.45Å; W196-L248 HydrophobicContact CZ2-CD2 4.24Å; W196-L248 HydrophobicContact CZ3-CB 4.3Å; W196-L248 HydrophobicContact CZ3-CD2 4.43Å; W196-L248 WeakPolarHBondContact CZ3-O 3.22Å; V200-L248 HydrophobicContact CG2-CD2 3.89Å; P211-L248 HydrophobicContact CB-CD1 4.2Å; P211-L248 HydrophobicContact CG-CD1 4.46Å; F212-L248 HydrophobicContact CE2-CD1 4.31Å; F212-L248 HydrophobicContact CZ-CD1 4.24Å; V228-L248 HydrophobicContact CB-CD1 4.34Å; V228-L248 HydrophobicContact CG1-CB 4.3Å; V228-L248 HydrophobicContact CG1-CD1 3.96Å; I244-L248 HydrophobicContact CG2-CD1 3.79Å; I244-L248 HydrophobicContact CG2-CG 4.38Å; I244-L248 WeakPolarHBondContact O-CB 3.49Å; I244-L248 WeakPolarHBondContact O-CG 3.19Å; I244-L248 PolarHBondContact O-N 2.85Å; L248-F250 PolarHBondContact O-N 3.11Å
249Q98.3Very high97.3Very high78 Ų7838.4 Ų38.436%0.36423%0.227SC..  trans-68127.8171.2-71.5-64.4-41.400110.9W196 A245 E246 L247 S251 A254 R255W196-Q249 WeakPolarHBondContact CZ3-O 3.48Å; A245-Q249 WeakPolarHBondContact O-CG 3.3Å; A245-Q249 PolarHBondContact O-NE2 3.49Å; E246-Q249 WeakPolarHBondContact O-CG 3.43Å; L247-Q249 VanDerWaalsContact C-N 3.26Å; L247-Q249 PolarHBondContact O-N 3.2Å; Q249-S251 VanDerWaalsContact C-N 3.29Å; Q249-S251 PolarHBondContact O-N 3Å; Q249-A254 HydrophobicContact CB-CB 3.95Å; Q249-A254 HydrophobicContact CG-CB 4.07Å; Q249-R255 HydrophobicContact CB-CG 3.85Å; Q249-R255 PolarHBondContact O-NE 2.69Å; Q249-R255 PolarHBondContact O-NH2 2.74Å
250F97.9Very high97.4Very high67 Ų6738.6 Ų38.629%0.29423%0.232SC..SBendtrans-58.3-43.4179.2-170.7-93.4000111.4P180 L184 P221 Q224 K225 L248 R255P180-F250 HydrophobicContact CB-CD2 3.83Å; P180-F250 HydrophobicContact CB-CE1 4.47Å; P180-F250 HydrophobicContact CB-CE2 3.46Å; P180-F250 VanDerWaalsContact CB-CE2 3.46Å; P180-F250 HydrophobicContact CB-CG 4.49Å; P180-F250 HydrophobicContact CB-CZ 3.82Å; P180-F250 HydrophobicContact CG-CD2 3.54Å; P180-F250 HydrophobicContact CG-CE2 3.7Å; P180-F250 HydrophobicContact CG-CG 4.19Å; P180-F250 HydrophobicContact CG-CZ 4.45Å; L184-F250 HydrophobicContact CD1-CZ 4.38Å; P221-F250 WeakPolarHBondContact O-CE2 3.41Å; Q224-F250 HydrophobicContact CB-CD2 4.35Å; Q224-F250 HydrophobicContact CB-CE2 4.47Å; K225-F250 VanDerWaalsContact CA-CD2 3.47Å; K225-F250 HydrophobicContact CB-CD2 3.75Å; K225-F250 HydrophobicContact CB-CE2 3.62Å; K225-F250 HydrophobicContact CB-CG 4.43Å; K225-F250 HydrophobicContact CB-CZ 4.21Å; K225-F250 HydrophobicContact CD-CZ 4.37Å; K225-F250 HydrophobicContact CG-CD2 4.17Å; K225-F250 HydrophobicContact CG-CE2 4.16Å; K225-F250 HydrophobicContact CG-CG 4.38Å; K225-F250 HydrophobicContact CG-CZ 4.36Å; L248-F250 PolarHBondContact O-N 3.11Å; F250-R255 PolarHBondContact O-NH2 3.29Å
251S97.1Very high97.6Very high51 Ų5138.5 Ų38.536%0.35723%0.232SC..SBendtrans-76.9125.4174.7-176.80000111.4Q249 S253 A254Q249-S251 VanDerWaalsContact C-N 3.29Å; Q249-S251 PolarHBondContact O-N 3Å; S251-S253 PolarHBondContact O-N 3.27Å; S251-S253 PolarHBondContact OG-OG 3.16Å; S251-A254 PolarHBondContact O-N 2.7Å; S251-A254 VanDerWaalsContact O-N 3.16Å
252P96.5Very high97.5Very high38 Ų3837.2 Ų37.225%0.24723%0.232CC..THydrogen-bonded Turntrans-63.2-29.4178.5-21.333.1000113.3E181 K192 A254 R255E181-P252 HydrophobicContact CB-CG 4.45Å; E181-P252 VanDerWaalsContact CD-CG 3.43Å; E181-P252 HydrophobicContact CG-CG 4.05Å; E181-P252 WeakPolarHBondContact OE1-CG 3.22Å; K192-P252 HydrophobicContact CB-CB 4.12Å; K192-P252 HydrophobicContact CG-CB 4.44Å; K192-P252 PolarHBondContact NZ-O 3.28Å; P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 2.83Å; P252-R255 PolarHBondContact O-N 3.14Å
253S95.5Very high97.5Very high100 Ų10041.5 Ų41.570%0.69924%0.238SC*.THydrogen-bonded Turntrans-69.1-30.5178.358.80000112.4S251 R255S251-S253 PolarHBondContact O-N 3.27Å; S251-S253 PolarHBondContact OG-OG 3.16Å; S253-R255 VanDerWaalsContact C-N 3.34Å
254A97.4Very high97.4Very high54 Ų5442.3 Ų42.345%0.44624%0.242SC..THydrogen-bonded Turntrans-78.5-17.3177.900000113.2Q249 S251 P252Q249-A254 HydrophobicContact CB-CB 3.95Å; Q249-A254 HydrophobicContact CG-CB 4.07Å; S251-A254 PolarHBondContact O-N 2.7Å; S251-A254 VanDerWaalsContact O-N 3.16Å; P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 2.83Å
255R97.9Very high97.1Very high4 Ų445.7 Ų45.72%0.01527%0.265CS..SBendtrans-69.7139.5174.5-63.2179.3-151.9144.110.6110.7E181 K192 V195 Q249 F250 P252 S253E181-R255 IonicContact OE1-CZ 3.58Å; E181-R255 IonicContact OE1-NH1 3.78Å; E181-R255 PolarHBondContact OE1-NH1 3.15Å; E181-R255 IonicContact OE1-NH2 2.91Å; E181-R255 PolarHBondContact OE1-NH2 2.62Å; E181-R255 IonicContact OE2-CZ 2.71Å; E181-R255 IonicContact OE2-NH1 3.94Å; E181-R255 IonicContact OE2-NH2 3.62Å; E181-R255 PolarHBondContact OE2-NH2 2.96Å; K192-R255 HydrophobicContact CD-CB 4.32Å; K192-R255 PolarHBondContact NZ-O 2.84Å; K192-R255 PolarHBondContact O-NH1 3.26Å; V195-R255 HydrophobicContact CG1-CB 4.17Å; Q249-R255 HydrophobicContact CB-CG 3.85Å; Q249-R255 PolarHBondContact O-NE 2.69Å; Q249-R255 PolarHBondContact O-NH2 2.74Å; F250-R255 PolarHBondContact O-NH2 3.29Å; P252-R255 PolarHBondContact O-N 3.14Å; S253-R255 VanDerWaalsContact C-N 3.34Å
256P98Very high96.9Very high18 Ų1843.8 Ų43.812%0.11725%0.249CC..PPolyproline II helixtrans-65.2163.3173.528.6-35.2000111.7V195 E246 L247 Q260 V261V195-P256 HydrophobicContact CG1-CG 4.33Å; E246-P256 HydrophobicContact CB-CG 4.45Å; E246-P256 WeakPolarHBondContact O-CD 3.4Å; L247-P256 HydrophobicContact CD2-CG 4.21Å; P256-Q260 HydrophobicContact CB-CB 3.88Å; P256-V261 HydrophobicContact CB-CG2 4.03Å; P256-V261 HydrophobicContact CG-CG2 3.55Å
257S97.8Very high96.6Very high47 Ų4740.8 Ų40.833%0.32924%0.236SC..PPolyproline II helixtrans-73.4154.9162.460.40000110.8G259 Q260 V261S257-G259 PolarHBondContact O-N 3.47Å; S257-G259 VanDerWaalsContact O-N 3.14Å; S257-Q260 WeakPolarHBondContact O-CA 3.3Å; S257-Q260 WeakPolarHBondContact O-CB 3.48Å; S257-Q260 PolarHBondContact O-N 3.21Å; S257-Q260 WeakPolarHBondContact OG-CG 3.17Å; S257-Q260 PolarHBondContact OG-N 3.22Å; S257-Q260 PolarHBondContact OG-OE1 3.02Å; S257-V261 WeakPolarHBondContact O-CG2 3.31Å; S257-V261 PolarHBondContact O-N 3.33Å
258A97.6Very high96Very high2 Ų250.1 Ų50.12%0.01727%0.271CS..Hα-helixtrans-55.3-33.2173.100000112.5V123 R124 H127 M198 V261 A262V123-A258 HydrophobicContact CG1-CB 4.1Å; R124-A258 HydrophobicContact CB-CB 4.14Å; H127-A258 WeakPolarHBondContact ND1-CB 3.31Å; M198-A258 HydrophobicContact CE-CB 4.44Å; A258-V261 PolarHBondContact O-N 2.87Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 2.96Å
259G97Very high94.6Very high9 Ų952.3 Ų52.39%0.09329%0.29CS..Hα-helixtrans-64.4-36.6172.900000114.1S257 R263S257-G259 PolarHBondContact O-N 3.47Å; S257-G259 VanDerWaalsContact O-N 3.14Å; G259-R263 WeakPolarHBondContact O-CG 3.35Å; G259-R263 VanDerWaalsContact O-CZ 3.26Å; G259-R263 PolarHBondContact O-NE 3.37Å
260Q97.9Very high92.7Very high105 Ų10549 Ų4949%0.49128%0.278SS..Hα-helixtrans-71.2-42.6172.3-75161.7-57.100111.3P256 S257 A262 R263 N264P256-Q260 HydrophobicContact CB-CB 3.88Å; S257-Q260 WeakPolarHBondContact O-CA 3.3Å; S257-Q260 WeakPolarHBondContact O-CB 3.48Å; S257-Q260 PolarHBondContact O-N 3.21Å; S257-Q260 WeakPolarHBondContact OG-CG 3.17Å; S257-Q260 PolarHBondContact OG-N 3.22Å; S257-Q260 PolarHBondContact OG-OE1 3.02Å; Q260-A262 PolarHBondContact O-N 3.05Å; Q260-R263 CarbonylContact O-C 3.52Å; Q260-R263 PolarHBondContact O-N 3.24Å; Q260-N264 PolarHBondContact O-N 2.9Å
261V98.3Very high90.5Very high1 Ų149 Ų491%0.00628%0.28CS..Hα-helixtrans-56.1-49.7175.9177.50000110.6F116 A120 V195 M198 L243 L247 P256 S257 A258 R263 N264 L267F116-V261 HydrophobicContact CE1-CG1 4.14Å; A120-V261 HydrophobicContact CB-CG1 4.05Å; V195-V261 HydrophobicContact CG1-CG2 4.43Å; M198-V261 HydrophobicContact CE-CG1 4.46Å; M198-V261 HydrophobicContact CE-CG2 4.48Å; L243-V261 HydrophobicContact CD1-CG1 4.3Å; L247-V261 HydrophobicContact CD2-CB 4.43Å; L247-V261 HydrophobicContact CD2-CG1 4.08Å; L247-V261 HydrophobicContact CD2-CG2 3.42Å; L247-V261 VanDerWaalsContact CD2-CG2 3.42Å; P256-V261 HydrophobicContact CB-CG2 4.03Å; P256-V261 HydrophobicContact CG-CG2 3.55Å; S257-V261 WeakPolarHBondContact O-CG2 3.31Å; S257-V261 PolarHBondContact O-N 3.33Å; A258-V261 PolarHBondContact O-N 2.87Å; V261-R263 PolarHBondContact O-N 3.3Å; V261-N264 WeakPolarHBondContact O-CB 3.4Å; V261-N264 PolarHBondContact O-N 3.29Å; V261-L267 WeakPolarHBondContact O-CD1 3.49Å
262A95.9Very high88Confident28 Ų2851.4 Ų51.423%0.23130%0.297CS..THydrogen-bonded Turntrans-62.1-14.3178.900000114.2A258 Q260A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 2.96Å; Q260-A262 PolarHBondContact O-N 3.05Å
263R94.9Very high85.2Confident136 Ų13656.3 Ų56.351%0.51336%0.355SS..THydrogen-bonded Turntrans-103.6-0.5175.5-67.7-173.3-63.7-107.21.4113.4G259 Q260 V261G259-R263 WeakPolarHBondContact O-CG 3.35Å; G259-R263 VanDerWaalsContact O-CZ 3.26Å; G259-R263 PolarHBondContact O-NE 3.37Å; Q260-R263 CarbonylContact O-C 3.52Å; Q260-R263 PolarHBondContact O-N 3.24Å; V261-R263 PolarHBondContact O-N 3.3Å
264N96Very high84.7Confident17 Ų1754.1 Ų54.19%0.09134%0.337CS..  trans-58.1143-178.2-177.5-74.4000110.9L243 E246 Q260 V261 W266 L267 R268L243-N264 HydrophobicContact CD1-CB 4.13Å; E246-N264 PolarHBondContact OE2-ND2 3.42Å; E246-N264 VanDerWaalsContact OE2-ND2 3.12Å; Q260-N264 PolarHBondContact O-N 2.9Å; V261-N264 WeakPolarHBondContact O-CB 3.4Å; V261-N264 PolarHBondContact O-N 3.29Å; N264-W266 VanDerWaalsContact C-N 3.3Å; N264-W266 PolarHBondContact O-N 3.28Å; N264-W266 WeakPolarHBondContact OD1-CB 3.49Å; N264-W266 PolarHBondContact OD1-N 2.86Å; N264-L267 PolarHBondContact O-N 2.83Å; N264-R268 PolarHBondContact O-N 3.23Å
265C91.6Very high84Confident70 Ų7054.1 Ų54.147%0.47333%0.332SS..Hα-helixtrans-62-34.6-173.659.70000113L267 R268 A269C265-L267 VanDerWaalsContact C-N 3.27Å; C265-L267 PolarHBondContact O-N 2.96Å; C265-R268 PolarHBondContact O-N 3.26Å; C265-A269 VanDerWaalsContact O-CB 3.28Å; C265-A269 WeakPolarHBondContact O-CB 3.45Å; C265-A269 PolarHBondContact O-N 3.23Å
266W93.8Very high83.3Confident2 Ų256.9 Ų56.91%0.00835%0.349CS..Hα-helixtrans-60.4-39.3177.4-17563000111.8R113 F116 L202 S237 R239 C240 L243 N264 D271R113-W266 HydrophobicContact CB-CH2 3.6Å; R113-W266 HydrophobicContact CB-CZ2 3.61Å; R113-W266 HydrophobicContact CB-CZ3 4.11Å; R113-W266 VanDerWaalsContact CD-O 3.22Å; R113-W266 WeakPolarHBondContact CD-O 3.21Å; R113-W266 HydrophobicContact CG-CD2 4.22Å; R113-W266 HydrophobicContact CG-CE3 4.2Å; R113-W266 HydrophobicContact CG-CH2 4.09Å; R113-W266 HydrophobicContact CG-CZ2 4.07Å; R113-W266 HydrophobicContact CG-CZ3 4.15Å; F116-W266 HydrophobicContact CB-CZ3 4.5Å; F116-W266 HydrophobicContact CD1-CZ3 4.42Å; L202-W266 HydrophobicContact CD1-CH2 3.83Å; L202-W266 HydrophobicContact CD1-CZ3 3.85Å; L202-W266 HydrophobicContact CD2-CZ3 4.21Å; S237-W266 PolarHBondContact OG-NE1 3.43Å; R239-W266 HydrophobicContact CB-CB 3.93Å; R239-W266 HydrophobicContact CB-CG 4.07Å; C240-W266 HydrophobicContact CB-CD2 4.23Å; C240-W266 HydrophobicContact CB-CZ2 3.97Å; L243-W266 HydrophobicContact CD2-CE3 3.62Å; L243-W266 HydrophobicContact CD2-CZ3 4.19Å; N264-W266 VanDerWaalsContact C-N 3.3Å; N264-W266 PolarHBondContact O-N 3.28Å; N264-W266 WeakPolarHBondContact OD1-CB 3.49Å; N264-W266 PolarHBondContact OD1-N 2.86Å; W266-D271 PolarHBondContact NE1-OD1 3.14Å; W266-D271 PolarHBondContact NE1-OD2 3.29Å
267L92.9Very high82.4Confident21 Ų2159.2 Ų59.211%0.1136%0.363CS..Hα-helixtrans-75.7-30.3179.5-58.6-179.3000113.2R113 F116 A117 A120 L243 V261 N264 C265R113-L267 HydrophobicContact CG-CD2 4.18Å; F116-L267 HydrophobicContact CD1-CD1 4.23Å; F116-L267 HydrophobicContact CD1-CD2 3.87Å; A117-L267 HydrophobicContact CB-CD2 4.28Å; A120-L267 HydrophobicContact CB-CD1 4.26Å; L243-L267 HydrophobicContact CD2-CD1 4.48Å; L243-L267 HydrophobicContact CD2-CD2 4.37Å; L243-L267 HydrophobicContact CD2-CG 4.26Å; V261-L267 WeakPolarHBondContact O-CD1 3.49Å; N264-L267 PolarHBondContact O-N 2.83Å; C265-L267 VanDerWaalsContact C-N 3.27Å; C265-L267 PolarHBondContact O-N 2.96Å
268R85.5Confident81.4Confident195 Ų19559.9 Ų59.974%0.73637%0.365SS*.Hα-helixtrans-91.9-38.6-175.5-66.4-166.170.8175.22.4114.4N264 C265N264-R268 PolarHBondContact O-N 3.23Å; C265-R268 PolarHBondContact O-N 3.26Å
269A69.2Low80.4Confident55 Ų5563.8 Ų63.846%0.45539%0.388SS..Hα-helixtrans-94.5-13.2-168.400000113.5C265C265-A269 VanDerWaalsContact O-CB 3.28Å; C265-A269 WeakPolarHBondContact O-CB 3.45Å; C265-A269 PolarHBondContact O-N 3.23Å
270G58Low79.2Confident10 Ų1067.7 Ų67.710%0.10341%0.409CS..  trans61.6172.9-165.100000112.8R239 S272R239-G270 PolarHBondContact NH1-O 3.23Å; R239-G270 VanDerWaalsContact NH1-O 3.16Å; G270-S272 PolarHBondContact O-N 3.09Å
271D52.7Low77.7Confident66 Ų6664.8 Ų64.835%0.35340%0.403SS..SBendtrans-82.651173.9-72.5-40.5000110.3S237 W266 G273S237-D271 WeakPolarHBondContact CB-OD1 3.44Å; S237-D271 PolarHBondContact OG-OD1 3.19Å; S237-D271 PolarHBondContact OG-OD2 3.28Å; W266-D271 PolarHBondContact NE1-OD1 3.14Å; W266-D271 PolarHBondContact NE1-OD2 3.29Å; D271-G273 PolarHBondContact O-N 3.14Å
272S43.8Very low76Confident101 Ų10170.2 Ų70.271%0.70644%0.436SS*.  trans-77.186.5163.9-53.20000107G270G270-S272 PolarHBondContact O-N 3.09Å
273G38Very low74.2Confident141 Ų14174 Ų74100%1.45446%0.455SS*.  trans-155017600000108.8D271D271-G273 PolarHBondContact O-N 3.14Å

Retrieved 273 of 273 residues in 252.7 ms (Link to these results)

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