A0A060WV21_ONCMY Loading...

Ribonuclease P/MRP protein subunit POP5

Component of ribonuclease P, a protein complex that generates mature tRNA molecules by cleaving their 5'-ends. Also a component of the MRP ribonuclease complex, which cleaves pre-rRNA sequences.

AlphaFold DB , UniProt , Accession A0A060WV21, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pop5, Length 158 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.9Low89.6Confident239 Ų23986.6 Ų86.6100%1.17741%0.41SS*.  0115.70-169.7164.6122.500109.7
2V84.3Confident90Very high153 Ų15382.9 Ų82.993%0.92739%0.392SS*.  trans-99.3120.6-175.5-174.20000109.7
3R86.3Confident90.3Very high213 Ų21376.8 Ų76.880%0.80436%0.364SS*.  trans-113.8137.1178.2179-178.6179.3-1794.8110.8K5R3-K5 PolarHBondContact O-N 3.26Å
4L87.1Confident90.4Very high102 Ų10273.5 Ų73.553%0.53435%0.352SS..  trans-67.3115.8170.9-16584.3000110.9R70L4-R70 VanDerWaalsContact CD1-NH2 3.29Å
5K91.9Very high90.4Very high139 Ų13970.3 Ų70.360%0.60434%0.339SS*.  trans-84122.4179.8-64.5-174.8-179.3179.60111R3 K71R3-K5 PolarHBondContact O-N 3.26Å; K5-K71 HydrophobicContact CB-CB 4.02Å; K5-K71 HydrophobicContact CB-CD 4.05Å; K5-K71 HydrophobicContact CD-CD 4.26Å; K5-K71 VanDerWaalsContact O-CB 3.28Å; K5-K71 WeakPolarHBondContact O-CB 3.43Å; K5-K71 PolarHBondContact O-N 2.78Å
6S93Very high90.2Very high16 Ų1673.4 Ų73.411%0.11237%0.37CS..EExtended strand (participates in β ladder)trans-99165.2173.9-56.80000111.5R68 C69S6-R68 PolarHBondContact OG-NE 3.17Å; S6-R68 PolarHBondContact OG-NH2 3.38Å; S6-R68 VanDerWaalsContact OG-NH2 3.11Å; S6-C69 CarbonylContact C-O 3.53Å; S6-C69 WeakPolarHBondContact CA-O 3.46Å
7R95.4Very high90Very high61 Ų6173.2 Ų73.223%0.2337%0.371CS..EExtended strand (participates in β ladder)trans-130147.9169.5-72.7-70-179.7-104.217.3108.7C69 K71 Y74 G104R7-C69 PolarHBondContact N-O 2.77Å; R7-C69 PolarHBondContact O-N 2.81Å; R7-K71 HydrophobicContact CG-CB 4.01Å; R7-K71 HydrophobicContact CG-CG 4.16Å; R7-Y74 HydrophobicContact CB-CG 4.27Å; R7-Y74 HydrophobicContact CG-CD1 4.09Å; R7-Y74 HydrophobicContact CG-CG 4.16Å; R7-G104 WeakPolarHBondContact CA-O 3.29Å; R7-G104 WeakPolarHBondContact CD-O 3.45Å
8Y96.4Very high89.6Confident30 Ų3077.7 Ų77.712%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-118.6124.8177.8-63.4-85.6000108.2L67 R68 V103 G104 I107Y8-L67 CarbonylContact C-O 3.39Å; Y8-L67 WeakPolarHBondContact CA-O 3.05Å; Y8-R68 HydrophobicContact CD1-CB 4.06Å; Y8-R68 HydrophobicContact CD1-CG 4.32Å; Y8-R68 HydrophobicContact CE1-CB 3.85Å; Y8-R68 HydrophobicContact CE1-CG 3.8Å; Y8-V103 CarbonylContact O-C 3.58Å; Y8-V103 WeakPolarHBondContact O-CA 3.31Å; Y8-G104 PolarHBondContact N-O 3.48Å; Y8-G104 PolarHBondContact O-N 3.02Å; Y8-I107 HydrophobicContact CD1-CD1 4.39Å; Y8-I107 HydrophobicContact CD1-CG1 3.78Å; Y8-I107 HydrophobicContact CD2-CG1 4.18Å; Y8-I107 HydrophobicContact CE1-CD1 3.71Å; Y8-I107 HydrophobicContact CE1-CG1 3.47Å; Y8-I107 VanDerWaalsContact CE1-CG1 3.47Å; Y8-I107 HydrophobicContact CE2-CG1 3.9Å; Y8-I107 HydrophobicContact CG-CG1 4.12Å
9L96.8Very high89.4Confident0 Ų084.1 Ų84.10%040%0.402CS..EExtended strand (participates in β ladder)trans-97.3119.3171.9-56.2157.8000106.3L67 Y74 I77 W78 L81 V103L9-L67 HydrophobicContact CB-CB 4.18Å; L9-L67 HydrophobicContact CD1-CB 4.41Å; L9-L67 PolarHBondContact N-O 3.42Å; L9-L67 PolarHBondContact O-N 3.22Å; L9-Y74 HydrophobicContact CD2-CD2 4.43Å; L9-I77 HydrophobicContact CD1-CB 4.41Å; L9-I77 HydrophobicContact CD1-CG2 3.86Å; L9-W78 HydrophobicContact CD2-CB 4.2Å; L9-W78 HydrophobicContact CD2-CG 4.33Å; L9-L81 HydrophobicContact CD1-CD1 4.37Å; L9-V103 HydrophobicContact CD2-CB 4.31Å; L9-V103 HydrophobicContact CD2-CG1 3.96Å; L9-V103 HydrophobicContact CD2-CG2 3.61Å
10L97.1Very high89.1Confident0 Ų082.2 Ų82.20%039%0.394CS..EExtended strand (participates in β ladder)trans-89.1116.3169.2177.767.8000107.3I64 F66 L101 H102 F113 L114L10-I64 HydrophobicContact CD1-CG2 3.55Å; L10-F66 HydrophobicContact CD1-CD2 3.75Å; L10-F66 HydrophobicContact CD1-CE1 4.42Å; L10-F66 HydrophobicContact CD1-CE2 3.27Å; L10-F66 HydrophobicContact CD1-CZ 3.66Å; L10-L101 HydrophobicContact CD2-CB 4.26Å; L10-L101 HydrophobicContact CD2-CD1 4.41Å; L10-L101 HydrophobicContact CG-CB 4.31Å; L10-L101 HydrophobicContact CG-CD1 4.44Å; L10-L101 PolarHBondContact O-N 2.94Å; L10-H102 HydrophobicContact CB-CB 4.16Å; L10-H102 HydrophobicContact CD2-CB 4.26Å; L10-H102 PolarHBondContact N-O 2.99Å; L10-H102 PolarHBondContact O-N 3.49Å; L10-F113 HydrophobicContact CD2-CD1 3.6Å; L10-F113 HydrophobicContact CD2-CE1 4.01Å; L10-L114 HydrophobicContact CD1-CD1 4.35Å; L10-L114 HydrophobicContact CD1-CD2 4.42Å; L10-L114 HydrophobicContact CD2-CB 4.04Å; L10-L114 HydrophobicContact CD2-CD1 4.19Å
11C96Very high88.9Confident0 Ų078.5 Ų78.50%038%0.376CS..EExtended strand (participates in β ladder)trans-123152.4-177.3-53.60000111.4I64 V65 L81 N99C11-I64 CarbonylContact O-C 3.46Å; C11-I64 WeakPolarHBondContact O-CA 3.39Å; C11-V65 HydrophobicContact CB-CB 4.4Å; C11-V65 PolarHBondContact N-O 3.46Å; C11-V65 PolarHBondContact O-N 3.43Å; C11-L81 VanDerWaalsContact SG-CD1 3.56Å; C11-N99 CarbonylContact C-O 3.59Å; C11-N99 WeakPolarHBondContact CA-O 3.47Å; C11-N99 VanDerWaalsContact CB-O 3.31Å; C11-N99 WeakPolarHBondContact CB-O 3.48Å
12E95.3Very high90Very high42 Ų4271.2 Ų71.220%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-114.5127.7172.3-177.4177.7-172.800108.1G63 I64 N99 L101 Y117E12-G63 CarbonylContact C-O 3.11Å; E12-G63 WeakPolarHBondContact CA-O 3.41Å; E12-I64 HydrophobicContact CB-CD1 4.09Å; E12-I64 HydrophobicContact CG-CD1 4.19Å; E12-N99 HydrophobicContact CB-CB 4.34Å; E12-N99 PolarHBondContact N-O 3.46Å; E12-N99 PolarHBondContact O-N 3.08Å; E12-L101 HydrophobicContact CB-CD1 4.09Å; E12-L101 HydrophobicContact CB-CG 4.24Å; E12-Y117 PolarHBondContact OE2-OH 2.85Å; E12-Y117 VanDerWaalsContact OE2-OH 3.12Å
13V93.8Very high89.9Confident4 Ų466.7 Ų66.72%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-89.7112.1174.3-174.30000107.6V15 L21 L24 G63 V65 L87 C96 L98V13-V15 HydrophobicContact CG1-CG2 3.94Å; V13-L21 HydrophobicContact CB-CD2 4.4Å; V13-L21 HydrophobicContact CG1-CD2 4.37Å; V13-L24 HydrophobicContact CB-CD1 4.2Å; V13-L24 HydrophobicContact CG1-CD1 3.67Å; V13-L24 HydrophobicContact CG2-CD1 4.47Å; V13-G63 PolarHBondContact N-O 2.89Å; V13-V65 HydrophobicContact CG2-CG2 3.52Å; V13-L87 HydrophobicContact CG1-CD1 4.23Å; V13-C96 HydrophobicContact CG1-CB 3.98Å; V13-L98 HydrophobicContact CG2-CG 4.21Å
14C91.3Very high89.9Confident30 Ų3057.2 Ų57.220%0.20328%0.284CS..EExtended strand (participates in β ladder)trans-99.5122.8178.8-61.90000109.1C96 F97C14-C96 CarbonylContact O-C 3.56Å; C14-C96 VanDerWaalsContact O-CA 3.24Å; C14-C96 WeakPolarHBondContact O-CA 3.46Å; C14-C96 WeakPolarHBondContact O-CB 3.29Å; C14-F97 HydrophobicContact CB-CD1 3.36Å; C14-F97 HydrophobicContact CB-CD2 4.46Å; C14-F97 HydrophobicContact CB-CE1 3.03Å; C14-F97 HydrophobicContact CB-CE2 4.21Å; C14-F97 HydrophobicContact CB-CG 4.08Å; C14-F97 HydrophobicContact CB-CZ 3.5Å; C14-F97 VanDerWaalsContact CB-CZ 3.5Å; C14-F97 PolarHBondContact N-O 3.33Å; C14-F97 PolarHBondContact O-N 3.29Å; C14-F97 WeakPolarHBondContact SG-CZ 3.47Å
15V90.9Very high90Very high25 Ų2555.6 Ų55.615%0.15228%0.276CS..EExtended strand (participates in β ladder)trans-127146.2-178-172.20000108.5V13 D17 N20 L21 V94 C96V13-V15 HydrophobicContact CG1-CG2 3.94Å; V15-D17 VanDerWaalsContact CG1-O 3.29Å; V15-D17 WeakPolarHBondContact CG1-O 3.3Å; V15-N20 HydrophobicContact CG1-CB 3.91Å; V15-L21 HydrophobicContact CB-CD2 4.31Å; V15-L21 HydrophobicContact CG2-CD2 3.53Å; V15-L21 HydrophobicContact CG2-CG 4.26Å; V15-V94 HydrophobicContact CG1-CG1 3.57Å; V15-V94 HydrophobicContact CG2-CG1 4.28Å; V15-C96 HydrophobicContact CG2-CB 3.82Å
16S86.3Confident90Very high120 Ų12052.3 Ų52.384%0.83927%0.265SS*.SBendtrans-62.8-42.6178.5-53.70000112.8
17D86.6Confident89.9Confident71 Ų7160.6 Ų60.638%0.3829%0.294SS..SBendtrans-111.4121.5172.7-174.3-6.9000110V15 R19 N20V15-D17 VanDerWaalsContact CG1-O 3.29Å; V15-D17 WeakPolarHBondContact CG1-O 3.3Å; D17-R19 PolarHBondContact O-N 3.47Å; D17-R19 WeakPolarHBondContact OD1-CG 3.29Å; D17-R19 PolarHBondContact OD1-N 3.34Å; D17-N20 WeakPolarHBondContact O-CB 3.47Å; D17-N20 PolarHBondContact O-N 3.1Å
18R84Confident89.8Confident154 Ų15458 Ų5858%0.58129%0.285SS*.G310 helixtrans-64.3-24.1-178.7-64.3-166.171.185.95.7113N20 L21 H61R18-N20 PolarHBondContact O-N 3.41Å; R18-L21 HydrophobicContact CB-CD1 4.37Å; R18-L21 VanDerWaalsContact O-CB 3.31Å; R18-L21 WeakPolarHBondContact O-CB 3.3Å; R18-L21 WeakPolarHBondContact O-CG 3.42Å; R18-L21 PolarHBondContact O-N 3.41Å; R18-H61 PolarHBondContact NH2-O 2.76Å; R18-H61 VanDerWaalsContact NH2-O 3.09Å
19R84.4Confident89.6Confident199 Ų19956.5 Ų56.575%0.75128%0.28SS*.G310 helixtrans-59.5-33.6176.8-65.4176.1179.9-175.11.4111.5D17 L21 S22D17-R19 PolarHBondContact O-N 3.47Å; D17-R19 WeakPolarHBondContact OD1-CG 3.29Å; D17-R19 PolarHBondContact OD1-N 3.34Å; R19-L21 PolarHBondContact O-N 2.94Å; R19-S22 PolarHBondContact O-N 3.17Å; R19-S22 PolarHBondContact O-OG 3.49Å
20N84.7Confident89.5Confident45 Ų4560 Ų6024%0.24129%0.293CS..G310 helixtrans-69.8-13.5179.3-64-28.8000113.5V15 D17 R18 S22 L23 V94V15-N20 HydrophobicContact CG1-CB 3.91Å; D17-N20 WeakPolarHBondContact O-CB 3.47Å; D17-N20 PolarHBondContact O-N 3.1Å; R18-N20 PolarHBondContact O-N 3.41Å; N20-S22 PolarHBondContact O-N 2.94Å; N20-L23 HydrophobicContact CB-CD1 4.43Å; N20-L23 WeakPolarHBondContact O-CB 3.25Å; N20-L23 PolarHBondContact O-N 3.01Å; N20-L23 VanDerWaalsContact O-N 3.13Å; N20-V94 HydrophobicContact CB-CG1 3.64Å; N20-V94 HydrophobicContact CB-CG2 4.08Å
21L83.6Confident89.3Confident5 Ų563.4 Ų63.43%0.02631%0.314CS..G310 helixtrans-65.1-32174.3-66.7171.1000111.9V13 V15 R18 R19 L23 L24 A60V13-L21 HydrophobicContact CB-CD2 4.4Å; V13-L21 HydrophobicContact CG1-CD2 4.37Å; V15-L21 HydrophobicContact CB-CD2 4.31Å; V15-L21 HydrophobicContact CG2-CD2 3.53Å; V15-L21 HydrophobicContact CG2-CG 4.26Å; R18-L21 HydrophobicContact CB-CD1 4.37Å; R18-L21 VanDerWaalsContact O-CB 3.31Å; R18-L21 WeakPolarHBondContact O-CB 3.3Å; R18-L21 WeakPolarHBondContact O-CG 3.42Å; R18-L21 PolarHBondContact O-N 3.41Å; R19-L21 PolarHBondContact O-N 2.94Å; L21-L23 PolarHBondContact O-N 3.2Å; L21-L24 HydrophobicContact CD2-CD1 3.72Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 WeakPolarHBondContact O-CG 3.32Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-A60 CarbonylContact C-O 3.53Å; L21-A60 WeakPolarHBondContact CB-O 3.34Å
22S84.1Confident89.2Confident86 Ų8664.2 Ų64.260%0.60132%0.321SS*.G310 helixtrans-65.4-20.6174.467.80000113.5R19 N20 L24R19-S22 PolarHBondContact O-N 3.17Å; R19-S22 PolarHBondContact O-OG 3.49Å; N20-S22 PolarHBondContact O-N 2.94Å; S22-L24 VanDerWaalsContact C-N 3.28Å
23L84Confident89.1Confident59 Ų5962.3 Ų62.331%0.30931%0.312SS..G310 helixtrans-86.51.2176.4-57171000111.8N20 L21 N89 V94N20-L23 HydrophobicContact CB-CD1 4.43Å; N20-L23 WeakPolarHBondContact O-CB 3.25Å; N20-L23 PolarHBondContact O-N 3.01Å; N20-L23 VanDerWaalsContact O-N 3.13Å; L21-L23 PolarHBondContact O-N 3.2Å; L23-N89 WeakPolarHBondContact O-CB 3.36Å; L23-N89 PolarHBondContact O-ND2 3.26Å; L23-V94 HydrophobicContact CD1-CG2 4.49Å
24L84.9Confident89.1Confident13 Ų1364.5 Ų64.57%0.06832%0.321CS..  trans-86.3134.8179.8-60.5-178.9000110.8V13 L21 S22 L58 L87V13-L24 HydrophobicContact CB-CD1 4.2Å; V13-L24 HydrophobicContact CG1-CD1 3.67Å; V13-L24 HydrophobicContact CG2-CD1 4.47Å; L21-L24 HydrophobicContact CD2-CD1 3.72Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 WeakPolarHBondContact O-CG 3.32Å; L21-L24 PolarHBondContact O-N 3.01Å; S22-L24 VanDerWaalsContact C-N 3.28Å; L24-L58 HydrophobicContact CB-CD2 4.27Å; L24-L87 HydrophobicContact CD1-CD1 4.33Å; L24-L87 HydrophobicContact CD2-CB 4.04Å; L24-L87 HydrophobicContact CD2-CD1 3.58Å; L24-L87 HydrophobicContact CD2-CG 4.43Å
25D90.1Very high89.3Confident68 Ų6865.4 Ų65.436%0.36433%0.331SS..  trans-121.5151.4176.8-174.625.2000110.3R27 A28 I29 N89D25-R27 PolarHBondContact O-N 3.37Å; D25-A28 HydrophobicContact CB-CB 4.49Å; D25-A28 WeakPolarHBondContact O-CB 3.37Å; D25-A28 PolarHBondContact O-N 2.91Å; D25-A28 VanDerWaalsContact O-N 3.08Å; D25-I29 PolarHBondContact O-N 3.24Å; D25-N89 WeakPolarHBondContact CB-ND2 3.33Å
26D91.9Very high89.4Confident71 Ų7164.2 Ų64.238%0.3832%0.324SS..Hα-helixtrans-56.1-40.2178.7-76.8-33.5000111.1I29 Y30 V55 L58D26-I29 PolarHBondContact O-N 2.97Å; D26-Y30 WeakPolarHBondContact O-CB 3.41Å; D26-Y30 PolarHBondContact O-N 3.21Å; D26-V55 HydrophobicContact CB-CG1 4.46Å; D26-L58 WeakPolarHBondContact OD1-CB 3.35Å
27R91.4Very high89.9Confident189 Ų18958.6 Ų58.671%0.71329%0.285SS*.Hα-helixtrans-64.1-41.7178.8-174.2175.2176.6173-1.7111.7D25 I29 Y30 T31D25-R27 PolarHBondContact O-N 3.37Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-I29 PolarHBondContact O-N 3.38Å; R27-Y30 PolarHBondContact O-N 3.12Å; R27-T31 HydrophobicContact CG-CG2 4.38Å; R27-T31 WeakPolarHBondContact O-CG2 3.24Å; R27-T31 PolarHBondContact O-N 3.04Å; R27-T31 PolarHBondContact O-OG1 3.4Å; R27-T31 VanDerWaalsContact O-OG1 3.05Å
28A91.6Very high90.3Very high6 Ų657 Ų575%0.0528%0.282CS..Hα-helixtrans-63.4-41.2179.800000111.3D25 T31 A32 E88 N89D25-A28 HydrophobicContact CB-CB 4.49Å; D25-A28 WeakPolarHBondContact O-CB 3.37Å; D25-A28 PolarHBondContact O-N 2.91Å; D25-A28 VanDerWaalsContact O-N 3.08Å; A28-T31 PolarHBondContact O-OG1 3.16Å; A28-A32 WeakPolarHBondContact O-CB 3.49Å; A28-A32 PolarHBondContact O-N 3.07Å; A28-E88 WeakPolarHBondContact CB-O 3.2Å; A28-N89 HydrophobicContact CB-CB 4.32Å
29I93.1Very high90.9Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-67.2-42.4176.7-63.3174.7000110.8D25 D26 R27 T33 V55 L58 V65 L67 L87 L98D25-I29 PolarHBondContact O-N 3.24Å; D26-I29 PolarHBondContact O-N 2.97Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-I29 PolarHBondContact O-N 3.38Å; I29-T33 WeakPolarHBondContact O-CB 3.35Å; I29-T33 PolarHBondContact O-N 3.39Å; I29-T33 PolarHBondContact O-OG1 2.92Å; I29-V55 HydrophobicContact CB-CG2 4.42Å; I29-V55 HydrophobicContact CG2-CG2 4.16Å; I29-L58 HydrophobicContact CD1-CD1 3.59Å; I29-L58 HydrophobicContact CD1-CD2 3.81Å; I29-L58 HydrophobicContact CD1-CG 4.22Å; I29-V65 HydrophobicContact CD1-CG1 4.37Å; I29-V65 HydrophobicContact CD1-CG2 3.85Å; I29-V65 HydrophobicContact CG2-CG1 4.23Å; I29-L67 HydrophobicContact CG2-CD2 4.15Å; I29-L87 HydrophobicContact CG1-CD1 4.12Å; I29-L87 HydrophobicContact CG1-CD2 4.28Å; I29-L98 HydrophobicContact CG2-CD2 4.4Å
30Y94.1Very high91.4Very high73 Ų7350.2 Ų50.229%0.28627%0.266SS..Hα-helixtrans-60.2-50177.8-179.7-92.7000112.1D26 R27 T33 K34 F53 V55D26-Y30 WeakPolarHBondContact O-CB 3.41Å; D26-Y30 PolarHBondContact O-N 3.21Å; R27-Y30 PolarHBondContact O-N 3.12Å; Y30-T33 PolarHBondContact O-N 3.01Å; Y30-K34 HydrophobicContact CD1-CD 4.5Å; Y30-K34 HydrophobicContact CE1-CD 3.79Å; Y30-K34 HydrophobicContact CE1-CG 4.47Å; Y30-K34 PolarHBondContact O-N 2.84Å; Y30-K34 VanDerWaalsContact O-N 3.08Å; Y30-K34 WeakPolarHBondContact OH-CE 3.49Å; Y30-K34 PolarHBondContact OH-NZ 3.22Å; Y30-F53 AromaticContact CD2-CD1 3.57Å; Y30-F53 HydrophobicContact CD2-CD1 3.57Å; Y30-F53 AromaticContact CD2-CE1 3.53Å; Y30-F53 HydrophobicContact CD2-CE1 3.53Å; Y30-F53 AromaticContact CE2-CD1 3.44Å; Y30-F53 HydrophobicContact CE2-CD1 3.44Å; Y30-F53 VanDerWaalsContact CE2-CD1 3.44Å; Y30-F53 AromaticContact CE2-CE1 3.93Å; Y30-F53 HydrophobicContact CE2-CE1 3.93Å; Y30-F53 HydrophobicContact CE2-CG 4.45Å; Y30-F53 HydrophobicContact CG-CE1 4.26Å; Y30-V55 HydrophobicContact CD2-CG2 4.43Å
31T93Very high91.9Very high71 Ų7151 Ų5144%0.43627%0.268SS..Hα-helixtrans-65.9-44.2-179.152.60000111.2R27 A28 T33 K34 A35R27-T31 HydrophobicContact CG-CG2 4.38Å; R27-T31 WeakPolarHBondContact O-CG2 3.24Å; R27-T31 PolarHBondContact O-N 3.04Å; R27-T31 PolarHBondContact O-OG1 3.4Å; R27-T31 VanDerWaalsContact O-OG1 3.05Å; A28-T31 PolarHBondContact O-OG1 3.16Å; T31-T33 PolarHBondContact O-N 3.42Å; T31-K34 PolarHBondContact O-N 2.81Å; T31-A35 WeakPolarHBondContact O-CB 3.05Å; T31-A35 PolarHBondContact O-N 3.43Å
32A93.8Very high92.4Very high18 Ų1852.3 Ų52.315%0.14928%0.283CS..Hα-helixtrans-64.3-40.1178.800000112.7A28 A35 A36 I84 L87A28-A32 WeakPolarHBondContact O-CB 3.49Å; A28-A32 PolarHBondContact O-N 3.07Å; A32-A35 PolarHBondContact O-N 3.4Å; A32-A36 WeakPolarHBondContact O-CB 3.21Å; A32-A36 PolarHBondContact O-N 2.87Å; A32-I84 HydrophobicContact CB-CG2 4.24Å; A32-L87 HydrophobicContact CB-CD2 3.32Å
33T94.1Very high93Very high1 Ų155.1 Ų55.11%0.00629%0.291CS..Hα-helixtrans-64.7-44.6176.8-53.20000110.9I29 Y30 T31 A36 V37 F53 I77 L81I29-T33 WeakPolarHBondContact O-CB 3.35Å; I29-T33 PolarHBondContact O-N 3.39Å; I29-T33 PolarHBondContact O-OG1 2.92Å; Y30-T33 PolarHBondContact O-N 3.01Å; T31-T33 PolarHBondContact O-N 3.42Å; T33-A36 PolarHBondContact O-N 3.06Å; T33-V37 VanDerWaalsContact O-CG2 3.3Å; T33-V37 WeakPolarHBondContact O-CG2 3.48Å; T33-V37 PolarHBondContact O-N 3.26Å; T33-F53 HydrophobicContact CG2-CE1 4.12Å; T33-F53 HydrophobicContact CG2-CE2 4.03Å; T33-F53 HydrophobicContact CG2-CZ 3.47Å; T33-F53 VanDerWaalsContact CG2-CZ 3.47Å; T33-I77 HydrophobicContact CG2-CG2 3.99Å; T33-L81 HydrophobicContact CG2-CD2 4.03Å
34K93.8Very high93.4Very high50 Ų5060.1 Ų60.122%0.21731%0.307CS..Hα-helixtrans-62.4-43.6175.3-83.1-162.4171.9-172.90112.5Y30 T31 A36 V37 A38 S50 F53Y30-K34 HydrophobicContact CD1-CD 4.5Å; Y30-K34 HydrophobicContact CE1-CD 3.79Å; Y30-K34 HydrophobicContact CE1-CG 4.47Å; Y30-K34 PolarHBondContact O-N 2.84Å; Y30-K34 VanDerWaalsContact O-N 3.08Å; Y30-K34 WeakPolarHBondContact OH-CE 3.49Å; Y30-K34 PolarHBondContact OH-NZ 3.22Å; T31-K34 PolarHBondContact O-N 2.81Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.42Å; K34-V37 PolarHBondContact O-N 2.68Å; K34-A38 WeakPolarHBondContact O-CB 3.4Å; K34-A38 PolarHBondContact O-N 3.26Å; K34-S50 WeakPolarHBondContact CE-OG 3.37Å; K34-S50 PolarHBondContact NZ-OG 3.34Å; K34-F53 HydrophobicContact CG-CD1 4.41Å
35A94.3Very high93.8Very high50 Ų5059.6 Ų59.641%0.41330%0.304SS..Hα-helixtrans-62.5-40.4177.100000111.5T31 A32 A38 R39T31-A35 WeakPolarHBondContact O-CB 3.05Å; T31-A35 PolarHBondContact O-N 3.43Å; A32-A35 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 3.03Å; A35-R39 WeakPolarHBondContact O-CB 3.45Å; A35-R39 WeakPolarHBondContact O-CG 3.3Å; A35-R39 PolarHBondContact O-N 2.98Å
36A94.8Very high94Very high0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-64.9-42.5175.100000112.2A32 T33 K34 R39 A40 A80 I84A32-A36 WeakPolarHBondContact O-CB 3.21Å; A32-A36 PolarHBondContact O-N 2.87Å; T33-A36 PolarHBondContact O-N 3.06Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 3.42Å; A36-R39 PolarHBondContact O-N 2.89Å; A36-A40 WeakPolarHBondContact O-CB 3.4Å; A36-A40 PolarHBondContact O-N 3.39Å; A36-A80 HydrophobicContact CB-CB 4.47Å; A36-I84 HydrophobicContact CB-CD1 4.38Å; A36-I84 HydrophobicContact CB-CG1 3.57Å
37V95.7Very high94Very high1 Ų157.2 Ų57.21%0.00630%0.304CS..Hα-helixtrans-63.4-44.1175.5172.70000111.1T33 K34 R39 A40 H41 G45 I77 A80T33-V37 VanDerWaalsContact O-CG2 3.3Å; T33-V37 WeakPolarHBondContact O-CG2 3.48Å; T33-V37 PolarHBondContact O-N 3.26Å; K34-V37 PolarHBondContact O-N 2.68Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 3.09Å; V37-A40 PolarHBondContact O-N 3.19Å; V37-H41 WeakPolarHBondContact O-CB 3.31Å; V37-H41 PolarHBondContact O-N 3.24Å; V37-G45 VanDerWaalsContact CG1-C 3.46Å; V37-G45 VanDerWaalsContact CG1-O 3.31Å; V37-G45 WeakPolarHBondContact CG1-O 3.46Å; V37-I77 HydrophobicContact CG2-CG1 4.25Å; V37-A80 HydrophobicContact CB-CB 4.3Å; V37-A80 HydrophobicContact CG2-CB 3.55Å
38A95.8Very high94Very high39 Ų3949.7 Ų49.732%0.32228%0.277SS..Hα-helixtrans-62.1-42.1177.400000111.7K34 A35 G42 A46K34-A38 WeakPolarHBondContact O-CB 3.4Å; K34-A38 PolarHBondContact O-N 3.26Å; A35-A38 PolarHBondContact O-N 3.03Å; A38-G42 WeakPolarHBondContact O-CA 3.37Å; A38-G42 PolarHBondContact O-N 3.42Å; A38-A46 HydrophobicContact CB-CB 3.94Å
39R95.3Very high93.9Very high166 Ų16649.6 Ų49.663%0.62628%0.277SS*.Hα-helixtrans-65.2-38.6175.7-74.1-173.4-60.6118.3-2.2113.1A35 A36 V37 F83A35-R39 WeakPolarHBondContact O-CB 3.45Å; A35-R39 WeakPolarHBondContact O-CG 3.3Å; A35-R39 PolarHBondContact O-N 2.98Å; A36-R39 PolarHBondContact O-N 2.89Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-R39 PolarHBondContact O-N 3.09Å; R39-F83 PolarHBondContact NH2-O 3.12Å
40A95.4Very high93.7Very high44 Ų4452.5 Ų52.536%0.36430%0.297SS..Hα-helixtrans-84.4-36.4-174.900000113.6A36 V37 A80 F83A36-A40 WeakPolarHBondContact O-CB 3.4Å; A36-A40 PolarHBondContact O-N 3.39Å; V37-A40 PolarHBondContact O-N 3.19Å; A40-A80 HydrophobicContact CB-CB 4.47Å; A40-F83 HydrophobicContact CB-CD2 3.99Å; A40-F83 HydrophobicContact CB-CE2 4.25Å
41H94.6Very high93.3Very high61 Ų6153.3 Ų53.328%0.28231%0.305SS..Hα-helixtrans-123.15.7-169.1-60.8-70.3000113.6V37 G45 L76 S79V37-H41 WeakPolarHBondContact O-CB 3.31Å; V37-H41 PolarHBondContact O-N 3.24Å; H41-G45 PolarHBondContact O-N 2.93Å; H41-L76 HydrophobicContact CB-CD2 4.48Å; H41-L76 PolarHBondContact CD2-O 3.13Å; H41-L76 WeakPolarHBondContact ND1-CD2 3.43Å; H41-L76 PolarHBondContact NE2-O 3.49Å; H41-L76 VanDerWaalsContact NE2-O 3.1Å; H41-S79 PolarHBondContact CE1-OG 3.41Å; H41-S79 PolarHBondContact NE2-OG 3.36Å
42G95.5Very high93Very high33 Ų3351.9 Ų51.934%0.3431%0.305SS..Hα-helixtrans64.5-159.8-179.500000114.1A38 Y44 G45 A46A38-G42 WeakPolarHBondContact O-CA 3.37Å; A38-G42 PolarHBondContact O-N 3.42Å; G42-Y44 VanDerWaalsContact C-N 3.28Å; G42-Y44 PolarHBondContact O-N 2.87Å; G42-G45 PolarHBondContact O-N 3.41Å; G42-A46 PolarHBondContact O-N 2.91Å
43D95Very high93Very high144 Ų14451.5 Ų51.577%0.7730%0.3SS*.Hα-helixtrans-64.5-33.4-176.3-62.6-26.2000112.7A46 A47D43-A46 PolarHBondContact O-N 3.43Å; D43-A47 WeakPolarHBondContact O-CB 3.5Å; D43-A47 PolarHBondContact O-N 3.5Å
44Y93.9Very high93Very high165 Ų16552.9 Ų52.965%0.64731%0.31SS*.Hα-helixtrans-60.8-50.1176.2-180-103.8000111.4G42 A46 A47 L48G42-Y44 VanDerWaalsContact C-N 3.28Å; G42-Y44 PolarHBondContact O-N 2.87Å; Y44-A46 VanDerWaalsContact C-N 3.34Å; Y44-A46 PolarHBondContact O-N 3.18Å; Y44-A47 PolarHBondContact O-N 3.48Å; Y44-L48 HydrophobicContact CD1-CD1 4.02Å; Y44-L48 HydrophobicContact CE1-CD1 3.39Å; Y44-L48 HydrophobicContact CE1-CG 4.34Å; Y44-L48 HydrophobicContact CE2-CD1 4.13Å; Y44-L48 HydrophobicContact CE2-CG 4.42Å; Y44-L48 VanDerWaalsContact CZ-CD1 3.45Å; Y44-L48 WeakPolarHBondContact O-CG 3.3Å; Y44-L48 PolarHBondContact O-N 3.12Å
45G93.1Very high93.1Very high1 Ų151.7 Ų51.71%0.0131%0.306CS..Hα-helixtrans-64.7-38.3176.100000112.6V37 H41 G42 L48 S49V37-G45 VanDerWaalsContact CG1-C 3.46Å; V37-G45 VanDerWaalsContact CG1-O 3.31Å; V37-G45 WeakPolarHBondContact CG1-O 3.46Å; H41-G45 PolarHBondContact O-N 2.93Å; G42-G45 PolarHBondContact O-N 3.41Å; G45-L48 PolarHBondContact O-N 3.18Å; G45-S49 VanDerWaalsContact O-CB 3.31Å; G45-S49 WeakPolarHBondContact O-CB 3.49Å; G45-S49 PolarHBondContact O-N 2.94Å; G45-S49 PolarHBondContact O-OG 3.45Å
46A93.3Very high93.1Very high24 Ų2454.6 Ų54.620%0.19831%0.31CS..Hα-helixtrans-63.1-42.1177.500000112.4A38 G42 D43 Y44 S49 S50A38-A46 HydrophobicContact CB-CB 3.94Å; G42-A46 PolarHBondContact O-N 2.91Å; D43-A46 PolarHBondContact O-N 3.43Å; Y44-A46 VanDerWaalsContact C-N 3.34Å; Y44-A46 PolarHBondContact O-N 3.18Å; A46-S49 PolarHBondContact O-OG 3.01Å; A46-S50 WeakPolarHBondContact O-CB 3.49Å; A46-S50 PolarHBondContact O-N 3.05Å; A46-S50 PolarHBondContact O-OG 3.46Å
47A93.2Very high93.1Very high65 Ų6559.7 Ų59.754%0.53733%0.33SS..Hα-helixtrans-66.8-46.8176.800000111.5D43 Y44 S49 S50 L51D43-A47 WeakPolarHBondContact O-CB 3.5Å; D43-A47 PolarHBondContact O-N 3.5Å; Y44-A47 PolarHBondContact O-N 3.48Å; A47-S49 PolarHBondContact O-N 3.33Å; A47-S50 WeakPolarHBondContact O-CB 3.38Å; A47-S50 PolarHBondContact O-N 2.98Å; A47-L51 PolarHBondContact O-N 3.43Å
48L91.4Very high93Very high31 Ų3161.1 Ų61.116%0.16234%0.337CS..Hα-helixtrans-65.4-39.7179.4-71.4-174.3000113.1Y44 G45 S50 L51 L76Y44-L48 HydrophobicContact CD1-CD1 4.02Å; Y44-L48 HydrophobicContact CE1-CD1 3.39Å; Y44-L48 HydrophobicContact CE1-CG 4.34Å; Y44-L48 HydrophobicContact CE2-CD1 4.13Å; Y44-L48 HydrophobicContact CE2-CG 4.42Å; Y44-L48 VanDerWaalsContact CZ-CD1 3.45Å; Y44-L48 WeakPolarHBondContact O-CG 3.3Å; Y44-L48 PolarHBondContact O-N 3.12Å; G45-L48 PolarHBondContact O-N 3.18Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L76 HydrophobicContact CD1-CD1 3.79Å
49S88.6Confident92.9Very high5 Ų561 Ų614%0.03533%0.331CS..Hα-helixtrans-68.3-33.117660.80000111.4G45 A46 A47 L51 F53G45-S49 VanDerWaalsContact O-CB 3.31Å; G45-S49 WeakPolarHBondContact O-CB 3.49Å; G45-S49 PolarHBondContact O-N 2.94Å; G45-S49 PolarHBondContact O-OG 3.45Å; A46-S49 PolarHBondContact O-OG 3.01Å; A47-S49 PolarHBondContact O-N 3.33Å; S49-L51 PolarHBondContact O-N 3.08Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-F53 WeakPolarHBondContact O-CB 3.43Å
50S88.1Confident92.5Very high60 Ų6054.6 Ų54.642%0.4231%0.314SS..Hα-helixtrans-61.5-23.8174.5-64.90000113.2K34 A46 A47 L48 G52K34-S50 WeakPolarHBondContact CE-OG 3.37Å; K34-S50 PolarHBondContact NZ-OG 3.34Å; A46-S50 WeakPolarHBondContact O-CB 3.49Å; A46-S50 PolarHBondContact O-N 3.05Å; A46-S50 PolarHBondContact O-OG 3.46Å; A47-S50 WeakPolarHBondContact O-CB 3.38Å; A47-S50 PolarHBondContact O-N 2.98Å; L48-S50 VanDerWaalsContact C-N 3.31Å; S50-G52 PolarHBondContact O-N 2.95Å
51L87.4Confident92.2Very high90 Ų9060 Ų6047%0.47133%0.331SS..THydrogen-bonded Turntrans-8690.2-179-160.168.1000112.3A47 L48 S49 R70A47-L51 PolarHBondContact O-N 3.43Å; L48-L51 PolarHBondContact O-N 2.88Å; S49-L51 PolarHBondContact O-N 3.08Å; S49-L51 VanDerWaalsContact O-N 3.13Å; L51-R70 WeakPolarHBondContact O-CD 3.32Å
52G85.4Confident92Very high41 Ų4159.8 Ų59.842%0.42333%0.334SS..THydrogen-bonded Turntrans83.614.8171.600000115.2S50S50-G52 PolarHBondContact O-N 2.95Å
53F94.4Very high91.8Very high10 Ų1058.2 Ų58.24%0.04432%0.318CS..  trans-76.5131.6163.7-180-113.6000110.8Y30 T33 K34 S49 L67 R68 I77Y30-F53 AromaticContact CD2-CD1 3.57Å; Y30-F53 HydrophobicContact CD2-CD1 3.57Å; Y30-F53 AromaticContact CD2-CE1 3.53Å; Y30-F53 HydrophobicContact CD2-CE1 3.53Å; Y30-F53 AromaticContact CE2-CD1 3.44Å; Y30-F53 HydrophobicContact CE2-CD1 3.44Å; Y30-F53 VanDerWaalsContact CE2-CD1 3.44Å; Y30-F53 AromaticContact CE2-CE1 3.93Å; Y30-F53 HydrophobicContact CE2-CE1 3.93Å; Y30-F53 HydrophobicContact CE2-CG 4.45Å; Y30-F53 HydrophobicContact CG-CE1 4.26Å; T33-F53 HydrophobicContact CG2-CE1 4.12Å; T33-F53 HydrophobicContact CG2-CE2 4.03Å; T33-F53 HydrophobicContact CG2-CZ 3.47Å; T33-F53 VanDerWaalsContact CG2-CZ 3.47Å; K34-F53 HydrophobicContact CG-CD1 4.41Å; S49-F53 WeakPolarHBondContact O-CB 3.43Å; F53-L67 HydrophobicContact CE2-CB 3.99Å; F53-L67 HydrophobicContact CE2-CD1 4.34Å; F53-L67 HydrophobicContact CE2-CD2 4.23Å; F53-L67 HydrophobicContact CE2-CG 4.43Å; F53-L67 HydrophobicContact CZ-CD2 4.06Å; F53-R68 VanDerWaalsContact CA-O 3.26Å; F53-R68 WeakPolarHBondContact CA-O 3.47Å; F53-R68 WeakPolarHBondContact CD2-O 3.47Å; F53-I77 HydrophobicContact CB-CD1 4.47Å; F53-I77 HydrophobicContact CD2-CD1 3.81Å; F53-I77 HydrophobicContact CD2-CG2 4.48Å; F53-I77 HydrophobicContact CE2-CD1 4.43Å; F53-I77 HydrophobicContact CE2-CG2 4.04Å; F53-I77 HydrophobicContact CG-CD1 4.4Å
54S94.8Very high91.8Very high31 Ų3151.6 Ų51.622%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-152.1143.2171.739.70000110.5R68S54-R68 PolarHBondContact N-O 2.95Å; S54-R68 VanDerWaalsContact N-O 3.11Å; S54-R68 PolarHBondContact O-N 3.07Å
55V95.5Very high91.9Very high24 Ų2443.7 Ų43.715%0.14525%0.252CS..EExtended strand (participates in β ladder)trans-77.2128.1164.4-173.20000106.9D26 I29 Y30 V65 L67D26-V55 HydrophobicContact CB-CG1 4.46Å; I29-V55 HydrophobicContact CB-CG2 4.42Å; I29-V55 HydrophobicContact CG2-CG2 4.16Å; Y30-V55 HydrophobicContact CD2-CG2 4.43Å; V55-V65 HydrophobicContact CG1-CG1 4.08Å; V55-L67 HydrophobicContact CB-CD2 4.36Å; V55-L67 HydrophobicContact CG1-CD2 4.32Å; V55-L67 HydrophobicContact CG2-CD2 3.76Å
56K94.8Very high92Very high111 Ų11144.1 Ų44.148%0.48325%0.253SS..EExtended strand (participates in β ladder)trans-107.8-27.5-175.4-77.7-58.8-169.6-178.70113.8F66 R68K56-F66 HydrophobicContact CB-CB 4.19Å; K56-F66 PolarHBondContact N-O 2.68Å; K56-R68 HydrophobicContact CG-CB 3.93Å
57Y94.6Very high92.1Very high107 Ų10743 Ų4342%0.4224%0.244SC..EExtended strand (participates in β ladder)trans-156.4136-178.8177.5-103.1000107.8N59 V65 F66Y57-N59 HydrophobicContact CE1-CB 3.71Å; Y57-N59 WeakPolarHBondContact OH-CB 3.48Å; Y57-N59 PolarHBondContact OH-ND2 3.13Å; Y57-N59 VanDerWaalsContact OH-ND2 3.08Å; Y57-V65 CarbonylContact O-C 3.58Å; Y57-V65 VanDerWaalsContact O-CA 3.29Å; Y57-V65 WeakPolarHBondContact O-CA 3.33Å; Y57-F66 AromaticContact CD1-CD2 3.78Å; Y57-F66 HydrophobicContact CD1-CD2 3.78Å; Y57-F66 HydrophobicContact CD1-CE2 4.15Å; Y57-F66 HydrophobicContact CG-CD2 4.32Å; Y57-F66 PolarHBondContact O-N 3.27Å
58L93.5Very high92.2Very high32 Ų3243.6 Ų43.617%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-132.7130.6167.7168.761.8000106.9L24 D26 I29 I64 V65L24-L58 HydrophobicContact CB-CD2 4.27Å; D26-L58 WeakPolarHBondContact OD1-CB 3.35Å; I29-L58 HydrophobicContact CD1-CD1 3.59Å; I29-L58 HydrophobicContact CD1-CD2 3.81Å; I29-L58 HydrophobicContact CD1-CG 4.22Å; L58-I64 WeakPolarHBondContact CA-O 3.48Å; L58-V65 HydrophobicContact CD1-CG2 3.68Å
59N92.9Very high92.4Very high36 Ų3642.2 Ų42.219%0.19323%0.225CC..  trans-109.8109.4167.7-172.2-35.5000109.1Y57 H61 T62 G63 I64Y57-N59 HydrophobicContact CE1-CB 3.71Å; Y57-N59 WeakPolarHBondContact OH-CB 3.48Å; Y57-N59 PolarHBondContact OH-ND2 3.13Å; Y57-N59 VanDerWaalsContact OH-ND2 3.08Å; N59-H61 PolarHBondContact O-N 3.2Å; N59-H61 WeakPolarHBondContact OD1-CB 3.5Å; N59-H61 PolarHBondContact OD1-N 3.1Å; N59-T62 VanDerWaalsContact CB-OG1 3.24Å; N59-T62 WeakPolarHBondContact CB-OG1 3.49Å; N59-T62 PolarHBondContact ND2-OG1 2.92Å; N59-T62 PolarHBondContact OD1-N 2.8Å; N59-T62 VanDerWaalsContact OD1-N 3.15Å; N59-T62 PolarHBondContact OD1-OG1 3.22Å; N59-G63 VanDerWaalsContact O-CA 3.26Å; N59-G63 WeakPolarHBondContact O-CA 3.26Å; N59-G63 PolarHBondContact O-N 3.15Å; N59-I64 PolarHBondContact N-O 3.28Å
60A87.8Confident92.6Very high32 Ų3245.5 Ų45.526%0.26424%0.236SC..THydrogen-bonded Turntrans-69.6-14.2-179.200000113.9L21L21-A60 CarbonylContact C-O 3.53Å; L21-A60 WeakPolarHBondContact CB-O 3.34Å
61H88.6Confident92.8Very high158 Ų15847 Ų4773%0.73124%0.235SC*.THydrogen-bonded Turntrans-90.2-44.3177.8-61.7-79.1000112.1R18 N59R18-H61 PolarHBondContact NH2-O 2.76Å; R18-H61 VanDerWaalsContact NH2-O 3.09Å; N59-H61 PolarHBondContact O-N 3.2Å; N59-H61 WeakPolarHBondContact OD1-CB 3.5Å; N59-H61 PolarHBondContact OD1-N 3.1Å
62T89.3Confident93Very high55 Ų5546.7 Ų46.734%0.33724%0.241SC..THydrogen-bonded Turntrans-89.9-20.9-179.158.60000112.9N59 I64N59-T62 VanDerWaalsContact CB-OG1 3.24Å; N59-T62 WeakPolarHBondContact CB-OG1 3.49Å; N59-T62 PolarHBondContact ND2-OG1 2.92Å; N59-T62 PolarHBondContact OD1-N 2.8Å; N59-T62 VanDerWaalsContact OD1-N 3.15Å; N59-T62 PolarHBondContact OD1-OG1 3.22Å; T62-I64 VanDerWaalsContact C-N 3.31Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.31Å
63G91.6Very high93.3Very high0 Ų046.7 Ų46.70%023%0.23CC..  trans78.513.1-174.300000113.3E12 V13 N59E12-G63 CarbonylContact C-O 3.11Å; E12-G63 WeakPolarHBondContact CA-O 3.41Å; V13-G63 PolarHBondContact N-O 2.89Å; N59-G63 VanDerWaalsContact O-CA 3.26Å; N59-G63 WeakPolarHBondContact O-CA 3.26Å; N59-G63 PolarHBondContact O-N 3.15Å
64I95.1Very high93.3Very high5 Ų548.5 Ų48.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-84136.1-177.6-60.5-64.3000111.1L10 C11 E12 L58 N59 T62 F66 L101 L114L10-I64 HydrophobicContact CD1-CG2 3.55Å; C11-I64 CarbonylContact O-C 3.46Å; C11-I64 WeakPolarHBondContact O-CA 3.39Å; E12-I64 HydrophobicContact CB-CD1 4.09Å; E12-I64 HydrophobicContact CG-CD1 4.19Å; L58-I64 WeakPolarHBondContact CA-O 3.48Å; N59-I64 PolarHBondContact N-O 3.28Å; T62-I64 VanDerWaalsContact C-N 3.31Å; T62-I64 WeakPolarHBondContact OG1-CG1 3.31Å; I64-F66 HydrophobicContact CG2-CD2 4.44Å; I64-F66 HydrophobicContact CG2-CE2 4.19Å; I64-L101 HydrophobicContact CD1-CD1 4.12Å; I64-L114 HydrophobicContact CD1-CD1 4.1Å; I64-L114 HydrophobicContact CG1-CD1 4.16Å; I64-L114 HydrophobicContact CG2-CD1 4.07Å; I64-L114 HydrophobicContact CG2-CD2 3.99Å
65V95.9Very high93.3Very high0 Ų055.4 Ų55.40%026%0.258CS..EExtended strand (participates in β ladder)trans-130.8137.5-175.8-173.70000110.7C11 V13 I29 V55 Y57 L58 L67C11-V65 HydrophobicContact CB-CB 4.4Å; C11-V65 PolarHBondContact N-O 3.46Å; C11-V65 PolarHBondContact O-N 3.43Å; V13-V65 HydrophobicContact CG2-CG2 3.52Å; I29-V65 HydrophobicContact CD1-CG1 4.37Å; I29-V65 HydrophobicContact CD1-CG2 3.85Å; I29-V65 HydrophobicContact CG2-CG1 4.23Å; V55-V65 HydrophobicContact CG1-CG1 4.08Å; Y57-V65 CarbonylContact O-C 3.58Å; Y57-V65 VanDerWaalsContact O-CA 3.29Å; Y57-V65 WeakPolarHBondContact O-CA 3.33Å; L58-V65 HydrophobicContact CD1-CG2 3.68Å; V65-L67 HydrophobicContact CG1-CD2 3.61Å; V65-L67 HydrophobicContact CG1-CG 4.01Å
66F96.1Very high93.2Very high9 Ų956.3 Ų56.34%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-109.1119.3167.9-78.5-120.3000110.2L10 K56 Y57 I64 I107 C110 Q111 L114L10-F66 HydrophobicContact CD1-CD2 3.75Å; L10-F66 HydrophobicContact CD1-CE1 4.42Å; L10-F66 HydrophobicContact CD1-CE2 3.27Å; L10-F66 HydrophobicContact CD1-CZ 3.66Å; K56-F66 HydrophobicContact CB-CB 4.19Å; K56-F66 PolarHBondContact N-O 2.68Å; Y57-F66 AromaticContact CD1-CD2 3.78Å; Y57-F66 HydrophobicContact CD1-CD2 3.78Å; Y57-F66 HydrophobicContact CD1-CE2 4.15Å; Y57-F66 HydrophobicContact CG-CD2 4.32Å; Y57-F66 PolarHBondContact O-N 3.27Å; I64-F66 HydrophobicContact CG2-CD2 4.44Å; I64-F66 HydrophobicContact CG2-CE2 4.19Å; F66-I107 HydrophobicContact CE1-CG2 4.23Å; F66-C110 HydrophobicContact CD1-CB 4.39Å; F66-C110 HydrophobicContact CE1-CB 3.48Å; F66-C110 VanDerWaalsContact CE1-CB 3.48Å; F66-C110 HydrophobicContact CZ-CB 4.05Å; F66-Q111 HydrophobicContact CZ-CG 4.31Å; F66-L114 HydrophobicContact CE2-CD2 4.1Å; F66-L114 HydrophobicContact CZ-CD2 4.4Å
67L95.6Very high93.2Very high0 Ų051.4 Ų51.40%024%0.241CC..EExtended strand (participates in β ladder)trans-107.7122174.4-52.6175.1000109.6Y8 L9 I29 F53 V55 V65 L81Y8-L67 CarbonylContact C-O 3.39Å; Y8-L67 WeakPolarHBondContact CA-O 3.05Å; L9-L67 HydrophobicContact CB-CB 4.18Å; L9-L67 HydrophobicContact CD1-CB 4.41Å; L9-L67 PolarHBondContact N-O 3.42Å; L9-L67 PolarHBondContact O-N 3.22Å; I29-L67 HydrophobicContact CG2-CD2 4.15Å; F53-L67 HydrophobicContact CE2-CB 3.99Å; F53-L67 HydrophobicContact CE2-CD1 4.34Å; F53-L67 HydrophobicContact CE2-CD2 4.23Å; F53-L67 HydrophobicContact CE2-CG 4.43Å; F53-L67 HydrophobicContact CZ-CD2 4.06Å; V55-L67 HydrophobicContact CB-CD2 4.36Å; V55-L67 HydrophobicContact CG1-CD2 4.32Å; V55-L67 HydrophobicContact CG2-CD2 3.76Å; V65-L67 HydrophobicContact CG1-CD2 3.61Å; V65-L67 HydrophobicContact CG1-CG 4.01Å; L67-L81 HydrophobicContact CD1-CD1 4.39Å; L67-L81 HydrophobicContact CD1-CD2 3.7Å
68R95.6Very high93.2Very high79 Ų7952.1 Ų52.130%0.29824%0.243SC..EExtended strand (participates in β ladder)trans-89.2133.6172.3-178.9-179178.1-173.31.7109.6S6 Y8 F53 S54 K56S6-R68 PolarHBondContact OG-NE 3.17Å; S6-R68 PolarHBondContact OG-NH2 3.38Å; S6-R68 VanDerWaalsContact OG-NH2 3.11Å; Y8-R68 HydrophobicContact CD1-CB 4.06Å; Y8-R68 HydrophobicContact CD1-CG 4.32Å; Y8-R68 HydrophobicContact CE1-CB 3.85Å; Y8-R68 HydrophobicContact CE1-CG 3.8Å; F53-R68 VanDerWaalsContact CA-O 3.26Å; F53-R68 WeakPolarHBondContact CA-O 3.47Å; F53-R68 WeakPolarHBondContact CD2-O 3.47Å; S54-R68 PolarHBondContact N-O 2.95Å; S54-R68 VanDerWaalsContact N-O 3.11Å; S54-R68 PolarHBondContact O-N 3.07Å; K56-R68 HydrophobicContact CG-CB 3.93Å
69C94.2Very high93.3Very high1 Ų153 Ų531%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-137.4163.3176.8-54.20000110.9S6 R7 I77S6-C69 CarbonylContact C-O 3.53Å; S6-C69 WeakPolarHBondContact CA-O 3.46Å; R7-C69 PolarHBondContact N-O 2.77Å; R7-C69 PolarHBondContact O-N 2.81Å; C69-I77 HydrophobicContact CB-CD1 3.88Å; C69-I77 WeakPolarHBondContact SG-CD1 3.44Å
70R93.3Very high93.4Very high74 Ų7451.3 Ų51.328%0.27924%0.242SC..EExtended strand (participates in β ladder)trans-72144.1167.6-76.6-176.7145.4-159.8-3.5111L4 L51 S72 H73 Y74L4-R70 VanDerWaalsContact CD1-NH2 3.29Å; L51-R70 WeakPolarHBondContact O-CD 3.32Å; R70-S72 PolarHBondContact O-N 3.5Å; R70-H73 PolarHBondContact O-N 2.8Å; R70-Y74 PolarHBondContact O-N 2.89Å; R70-Y74 VanDerWaalsContact O-N 3.14Å
71K93.4Very high93.7Very high92 Ų9249.8 Ų49.840%0.423%0.23SC..THydrogen-bonded Turntrans-59.8-31177.6-178.9-176.5175.1-169.60113K5 R7 H73 Y74K5-K71 HydrophobicContact CB-CB 4.02Å; K5-K71 HydrophobicContact CB-CD 4.05Å; K5-K71 HydrophobicContact CD-CD 4.26Å; K5-K71 VanDerWaalsContact O-CB 3.28Å; K5-K71 WeakPolarHBondContact O-CB 3.43Å; K5-K71 PolarHBondContact O-N 2.78Å; R7-K71 HydrophobicContact CG-CB 4.01Å; R7-K71 HydrophobicContact CG-CG 4.16Å; K71-H73 VanDerWaalsContact C-N 3.35Å; K71-Y74 VanDerWaalsContact O-CD1 3.25Å; K71-Y74 WeakPolarHBondContact O-CD1 3.47Å
72S91.6Very high93.9Very high83 Ų8346.2 Ų46.258%0.5822%0.221SC*.THydrogen-bonded Turntrans-69.6-30.8-178.252.20000113.2R70R70-S72 PolarHBondContact O-N 3.5Å
73H90.6Very high94Very high42 Ų4249 Ų4919%0.19423%0.229CC..THydrogen-bonded Turntrans-126.110.1-167.7-42.3129.1000113.9R70 K71 R75 L76R70-H73 PolarHBondContact O-N 2.8Å; K71-H73 VanDerWaalsContact C-N 3.35Å; H73-R75 PolarHBondContact O-N 3.34Å; H73-L76 HydrophobicContact CB-CD1 4.24Å; H73-L76 PolarHBondContact O-N 2.68Å
74Y94Very high94.1Very high47 Ų4749.2 Ų49.218%0.18423%0.23CC..Hα-helixtrans-60.6-28.8-177.481-81.5000113.2R7 L9 R70 K71 L76 I77 W78 V103R7-Y74 HydrophobicContact CB-CG 4.27Å; R7-Y74 HydrophobicContact CG-CD1 4.09Å; R7-Y74 HydrophobicContact CG-CG 4.16Å; L9-Y74 HydrophobicContact CD2-CD2 4.43Å; R70-Y74 PolarHBondContact O-N 2.89Å; R70-Y74 VanDerWaalsContact O-N 3.14Å; K71-Y74 VanDerWaalsContact O-CD1 3.25Å; K71-Y74 WeakPolarHBondContact O-CD1 3.47Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; Y74-L76 PolarHBondContact O-N 3.26Å; Y74-I77 PolarHBondContact O-N 2.93Å; Y74-W78 WeakPolarHBondContact O-CB 3.3Å; Y74-W78 PolarHBondContact O-N 3.36Å; Y74-V103 HydrophobicContact CD2-CG1 3.83Å; Y74-V103 HydrophobicContact CE2-CG1 3.87Å
75R94.8Very high93.9Very high176 Ų17653.4 Ų53.466%0.66426%0.255SS*.Hα-helixtrans-64.6-34.5179-68.1-176.5176.4-177-4.9112.8H73 W78 S79H73-R75 PolarHBondContact O-N 3.34Å; R75-W78 PolarHBondContact O-N 2.83Å; R75-S79 WeakPolarHBondContact O-CB 3.45Å; R75-S79 PolarHBondContact O-N 2.99Å; R75-S79 PolarHBondContact O-OG 3.33Å; R75-S79 VanDerWaalsContact O-OG 3.13Å
76L94.1Very high93.7Very high44 Ų4454.7 Ų54.723%0.2326%0.264CS..Hα-helixtrans-65.4-43176.6-71.2166.5000111H41 L48 H73 Y74 S79 A80H41-L76 HydrophobicContact CB-CD2 4.48Å; H41-L76 PolarHBondContact CD2-O 3.13Å; H41-L76 WeakPolarHBondContact ND1-CD2 3.43Å; H41-L76 PolarHBondContact NE2-O 3.49Å; H41-L76 VanDerWaalsContact NE2-O 3.1Å; L48-L76 HydrophobicContact CD1-CD1 3.79Å; H73-L76 HydrophobicContact CB-CD1 4.24Å; H73-L76 PolarHBondContact O-N 2.68Å; Y74-L76 VanDerWaalsContact C-N 3.32Å; Y74-L76 PolarHBondContact O-N 3.26Å; L76-S79 PolarHBondContact O-OG 3.16Å; L76-S79 VanDerWaalsContact O-OG 3.08Å; L76-A80 PolarHBondContact O-N 3.25Å
77I94Very high93.3Very high7 Ų754.3 Ų54.34%0.03626%0.263CS..Hα-helixtrans-68.5-45.2177.1-63.6168.6000109.3L9 T33 V37 F53 C69 Y74 S79 A80 L81L9-I77 HydrophobicContact CD1-CB 4.41Å; L9-I77 HydrophobicContact CD1-CG2 3.86Å; T33-I77 HydrophobicContact CG2-CG2 3.99Å; V37-I77 HydrophobicContact CG2-CG1 4.25Å; F53-I77 HydrophobicContact CB-CD1 4.47Å; F53-I77 HydrophobicContact CD2-CD1 3.81Å; F53-I77 HydrophobicContact CD2-CG2 4.48Å; F53-I77 HydrophobicContact CE2-CD1 4.43Å; F53-I77 HydrophobicContact CE2-CG2 4.04Å; F53-I77 HydrophobicContact CG-CD1 4.4Å; C69-I77 HydrophobicContact CB-CD1 3.88Å; C69-I77 WeakPolarHBondContact SG-CD1 3.44Å; Y74-I77 PolarHBondContact O-N 2.93Å; I77-S79 PolarHBondContact O-N 3.25Å; I77-A80 PolarHBondContact O-N 3.37Å; I77-A80 VanDerWaalsContact O-N 3.08Å; I77-L81 WeakPolarHBondContact O-CG 3.46Å; I77-L81 PolarHBondContact O-N 3.38Å; I77-L81 VanDerWaalsContact O-N 3.17Å
78W95.3Very high92.8Very high122 Ų12260.9 Ų60.946%0.46229%0.293SS..Hα-helixtrans-59.8-42.3-179.8-175.337.4000113L9 Y74 R75 A80 L81 C100L9-W78 HydrophobicContact CD2-CB 4.2Å; L9-W78 HydrophobicContact CD2-CG 4.33Å; Y74-W78 WeakPolarHBondContact O-CB 3.3Å; Y74-W78 PolarHBondContact O-N 3.36Å; R75-W78 PolarHBondContact O-N 2.83Å; W78-A80 VanDerWaalsContact C-N 3.25Å; W78-A80 PolarHBondContact O-N 3.19Å; W78-L81 PolarHBondContact O-N 3.42Å; W78-C100 PolarHBondContact NE1-SG 3.25Å
79S95.4Very high92.1Very high51 Ų5158.5 Ų58.536%0.35729%0.287SS..Hα-helixtrans-70.2-20.7176.961.80000113.7H41 R75 L76 I77 F83H41-S79 PolarHBondContact CE1-OG 3.41Å; H41-S79 PolarHBondContact NE2-OG 3.36Å; R75-S79 WeakPolarHBondContact O-CB 3.45Å; R75-S79 PolarHBondContact O-N 2.99Å; R75-S79 PolarHBondContact O-OG 3.33Å; R75-S79 VanDerWaalsContact O-OG 3.13Å; L76-S79 PolarHBondContact O-OG 3.16Å; L76-S79 VanDerWaalsContact O-OG 3.08Å; I77-S79 PolarHBondContact O-N 3.25Å; S79-F83 WeakPolarHBondContact O-CE2 3.17Å
80A94.9Very high91.3Very high0 Ų069.7 Ų69.70%033%0.329CS..Hα-helixtrans-86.4-21.7177.600000113.7A36 V37 A40 L76 I77 W78 P82 F83A36-A80 HydrophobicContact CB-CB 4.47Å; V37-A80 HydrophobicContact CB-CB 4.3Å; V37-A80 HydrophobicContact CG2-CB 3.55Å; A40-A80 HydrophobicContact CB-CB 4.47Å; L76-A80 PolarHBondContact O-N 3.25Å; I77-A80 PolarHBondContact O-N 3.37Å; I77-A80 VanDerWaalsContact O-N 3.08Å; W78-A80 VanDerWaalsContact C-N 3.25Å; W78-A80 PolarHBondContact O-N 3.19Å; A80-P82 VanDerWaalsContact C-CD 3.48Å; A80-F83 PolarHBondContact O-N 3.02Å; A80-F83 VanDerWaalsContact O-N 3.1Å
81L93.8Very high90.4Very high1 Ų169.3 Ų69.31%0.00535%0.348CS..G310 helixtrans-55.1-43.5-178.1-69.4177000114.1L9 C11 T33 L67 I77 W78 F83 I84 L98 C100L9-L81 HydrophobicContact CD1-CD1 4.37Å; C11-L81 VanDerWaalsContact SG-CD1 3.56Å; T33-L81 HydrophobicContact CG2-CD2 4.03Å; L67-L81 HydrophobicContact CD1-CD1 4.39Å; L67-L81 HydrophobicContact CD1-CD2 3.7Å; I77-L81 WeakPolarHBondContact O-CG 3.46Å; I77-L81 PolarHBondContact O-N 3.38Å; I77-L81 VanDerWaalsContact O-N 3.17Å; W78-L81 PolarHBondContact O-N 3.42Å; L81-F83 PolarHBondContact O-N 3.05Å; L81-I84 HydrophobicContact CD2-CD1 4.04Å; L81-I84 WeakPolarHBondContact O-CB 3.39Å; L81-I84 WeakPolarHBondContact O-CG1 3.41Å; L81-I84 PolarHBondContact O-N 3.08Å; L81-L98 HydrophobicContact CB-CB 4.48Å; L81-L98 HydrophobicContact CD2-CD2 4.11Å; L81-C100 HydrophobicContact CD1-CB 4.12Å
82P92.6Very high89.9Confident83 Ų8370.2 Ų70.254%0.53935%0.353SS..G310 helixtrans-65.7-20.2-180-21.434.5000113.8A80 I84A80-P82 VanDerWaalsContact C-CD 3.48Å; P82-I84 PolarHBondContact O-N 2.8Å
83F92.9Very high89.6Confident114 Ų11475 Ų7550%0.536%0.359SS..G310 helixtrans-84.42.8-179.7-57.5-43.3000113.7R39 A40 S79 A80 L81 T85R39-F83 PolarHBondContact NH2-O 3.12Å; A40-F83 HydrophobicContact CB-CD2 3.99Å; A40-F83 HydrophobicContact CB-CE2 4.25Å; S79-F83 WeakPolarHBondContact O-CE2 3.17Å; A80-F83 PolarHBondContact O-N 3.02Å; A80-F83 VanDerWaalsContact O-N 3.1Å; L81-F83 PolarHBondContact O-N 3.05Å; F83-T85 PolarHBondContact O-N 2.95Å
84I93.1Very high89.5Confident4 Ų473.2 Ų73.22%0.02135%0.351CS..  trans-83107.3170.4-56.6165.9000107.1A32 A36 L81 P82 L87 L98A32-I84 HydrophobicContact CB-CG2 4.24Å; A36-I84 HydrophobicContact CB-CD1 4.38Å; A36-I84 HydrophobicContact CB-CG1 3.57Å; L81-I84 HydrophobicContact CD2-CD1 4.04Å; L81-I84 WeakPolarHBondContact O-CB 3.39Å; L81-I84 WeakPolarHBondContact O-CG1 3.41Å; L81-I84 PolarHBondContact O-N 3.08Å; P82-I84 PolarHBondContact O-N 2.8Å; I84-L87 HydrophobicContact CG2-CD2 4.43Å; I84-L98 HydrophobicContact CB-CD1 3.95Å; I84-L98 HydrophobicContact CD1-CD1 3.95Å; I84-L98 HydrophobicContact CD1-CD2 4.05Å; I84-L98 HydrophobicContact CD1-CG 4.42Å; I84-L98 HydrophobicContact CG2-CD1 3.67Å
85T91.4Very high89.3Confident92 Ų9274.4 Ų74.456%0.56437%0.365SS*.  trans-101.2-19.2-178.453.90000113.4F83 P95 C96F83-T85 PolarHBondContact O-N 2.95Å; T85-P95 WeakPolarHBondContact O-CA 3.3Å; T85-C96 CarbonylContact C-O 3.56Å; T85-C96 WeakPolarHBondContact CA-O 3.34Å; T85-C96 PolarHBondContact O-N 2.86Å; T85-C96 VanDerWaalsContact O-O 3.06Å
86S90.4Very high89.1Confident27 Ų2766.5 Ų66.519%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-156.2141.8179.759.80000111.4R93 V94S86-R93 VanDerWaalsContact CB-NE 3.33Å; S86-R93 PolarHBondContact OG-NE 3.47Å; S86-R93 PolarHBondContact OG-NH2 2.86Å; S86-V94 CarbonylContact C-O 3.52Å; S86-V94 WeakPolarHBondContact CA-O 3.44Å
87L88.4Confident89Confident1 Ų169.6 Ų69.61%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-102.2134.8169.4-70.7165.5000108.9V13 L24 I29 A32 I84 V94 C96V13-L87 HydrophobicContact CG1-CD1 4.23Å; L24-L87 HydrophobicContact CD1-CD1 4.33Å; L24-L87 HydrophobicContact CD2-CB 4.04Å; L24-L87 HydrophobicContact CD2-CD1 3.58Å; L24-L87 HydrophobicContact CD2-CG 4.43Å; I29-L87 HydrophobicContact CG1-CD1 4.12Å; I29-L87 HydrophobicContact CG1-CD2 4.28Å; A32-L87 HydrophobicContact CB-CD2 3.32Å; I84-L87 HydrophobicContact CG2-CD2 4.43Å; L87-V94 PolarHBondContact N-O 3.38Å; L87-V94 PolarHBondContact O-N 3.33Å; L87-C96 WeakPolarHBondContact CD1-SG 3.24Å; L87-C96 WeakPolarHBondContact CG-SG 3.49Å
88E84.7Confident89Confident138 Ų13869.4 Ų69.465%0.64535%0.347SS*.EExtended strand (participates in β ladder)trans-104123.5174.6-171.4-179.5169.500108.7A28 Q92A28-E88 WeakPolarHBondContact CB-O 3.2Å; E88-Q92 WeakPolarHBondContact CA-O 3.35Å
89N81.1Confident89Confident30 Ų3066.7 Ų66.716%0.1634%0.341CS..EExtended strand (participates in β ladder)trans-136.7129.7171.5-163.48.8000110.6L23 D25 A28 G91 Q92L23-N89 WeakPolarHBondContact O-CB 3.36Å; L23-N89 PolarHBondContact O-ND2 3.26Å; D25-N89 WeakPolarHBondContact CB-ND2 3.33Å; A28-N89 HydrophobicContact CB-CB 4.32Å; N89-G91 PolarHBondContact O-N 2.95Å; N89-G91 VanDerWaalsContact O-N 3.08Å; N89-Q92 PolarHBondContact N-O 3.44Å; N89-Q92 PolarHBondContact O-N 3.49Å
90R77.1Confident89Confident235 Ų23565.5 Ų65.589%0.88733%0.333SS*.THydrogen-bonded Turntrans4837.3178.1-59.9177.4-174.9-171.80.9114.1Q92R90-Q92 VanDerWaalsContact C-N 3.3Å; R90-Q92 PolarHBondContact O-N 3.38Å
91G75.9Confident89Confident66 Ų6667.1 Ų67.168%0.6834%0.342SS*.THydrogen-bonded Turntrans80.91.1-179.500000115.4N89N89-G91 PolarHBondContact O-N 2.95Å; N89-G91 VanDerWaalsContact O-N 3.08Å
92Q81.6Confident89.1Confident111 Ų11169.9 Ų69.952%0.51935%0.354SS..EExtended strand (participates in β ladder)trans-101.3129.6172.7-65.9-177.3-10.600110.2E88 N89 R90E88-Q92 WeakPolarHBondContact CA-O 3.35Å; N89-Q92 PolarHBondContact N-O 3.44Å; N89-Q92 PolarHBondContact O-N 3.49Å; R90-Q92 VanDerWaalsContact C-N 3.3Å; R90-Q92 PolarHBondContact O-N 3.38Å
93R85.4Confident89.3Confident183 Ų18368 Ų6869%0.69134%0.341SS*.EExtended strand (participates in β ladder)trans-98.3111.5178.3-171.1175.4-176.9-173.1-0.9109.6S86S86-R93 VanDerWaalsContact CB-NE 3.33Å; S86-R93 PolarHBondContact OG-NE 3.47Å; S86-R93 PolarHBondContact OG-NH2 2.86Å
94V87.8Confident89.3Confident5 Ų562.8 Ų62.83%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-97.3115.7177.7179.50000108.7V15 N20 L23 S86 L87 C96V15-V94 HydrophobicContact CG1-CG1 3.57Å; V15-V94 HydrophobicContact CG2-CG1 4.28Å; N20-V94 HydrophobicContact CB-CG1 3.64Å; N20-V94 HydrophobicContact CB-CG2 4.08Å; L23-V94 HydrophobicContact CD1-CG2 4.49Å; S86-V94 CarbonylContact C-O 3.52Å; S86-V94 WeakPolarHBondContact CA-O 3.44Å; L87-V94 PolarHBondContact N-O 3.38Å; L87-V94 PolarHBondContact O-N 3.33Å; V94-C96 PolarHBondContact O-N 2.87Å
95P90.7Very high89.3Confident73 Ų7364.3 Ų64.347%0.47434%0.336SS..EExtended strand (participates in β ladder)trans-69.2125.8173.529.1-32.7000109.3T85T85-P95 WeakPolarHBondContact O-CA 3.3Å
96C90.9Very high89.4Confident9 Ų963.2 Ų63.26%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-154.5157.8-176.966.30000110.9V13 C14 V15 T85 L87 V94V13-C96 HydrophobicContact CG1-CB 3.98Å; C14-C96 CarbonylContact O-C 3.56Å; C14-C96 VanDerWaalsContact O-CA 3.24Å; C14-C96 WeakPolarHBondContact O-CA 3.46Å; C14-C96 WeakPolarHBondContact O-CB 3.29Å; V15-C96 HydrophobicContact CG2-CB 3.82Å; T85-C96 CarbonylContact C-O 3.56Å; T85-C96 WeakPolarHBondContact CA-O 3.34Å; T85-C96 PolarHBondContact O-N 2.86Å; T85-C96 VanDerWaalsContact O-O 3.06Å; L87-C96 WeakPolarHBondContact CD1-SG 3.24Å; L87-C96 WeakPolarHBondContact CG-SG 3.49Å; V94-C96 PolarHBondContact O-N 2.87Å
97F92.7Very high89.5Confident109 Ų10965 Ų6548%0.47834%0.336SS..EExtended strand (participates in β ladder)trans-123.3146.2166.186.8-95.2000110.2C14 N99C14-F97 HydrophobicContact CB-CD1 3.36Å; C14-F97 HydrophobicContact CB-CD2 4.46Å; C14-F97 HydrophobicContact CB-CE1 3.03Å; C14-F97 HydrophobicContact CB-CE2 4.21Å; C14-F97 HydrophobicContact CB-CG 4.08Å; C14-F97 HydrophobicContact CB-CZ 3.5Å; C14-F97 VanDerWaalsContact CB-CZ 3.5Å; C14-F97 PolarHBondContact N-O 3.33Å; C14-F97 PolarHBondContact O-N 3.29Å; C14-F97 WeakPolarHBondContact SG-CZ 3.47Å; F97-N99 HydrophobicContact CD2-CB 4.3Å; F97-N99 HydrophobicContact CE2-CB 3.59Å; F97-N99 HydrophobicContact CZ-CB 4.36Å
98L93.4Very high89.7Confident4 Ų473 Ų732%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-99.3110.7175.1-80.580.6000109.5V13 I29 L81 I84V13-L98 HydrophobicContact CG2-CG 4.21Å; I29-L98 HydrophobicContact CG2-CD2 4.4Å; L81-L98 HydrophobicContact CB-CB 4.48Å; L81-L98 HydrophobicContact CD2-CD2 4.11Å; I84-L98 HydrophobicContact CB-CD1 3.95Å; I84-L98 HydrophobicContact CD1-CD1 3.95Å; I84-L98 HydrophobicContact CD1-CD2 4.05Å; I84-L98 HydrophobicContact CD1-CG 4.42Å; I84-L98 HydrophobicContact CG2-CD1 3.67Å
99N94.4Very high90.1Very high64 Ų6469.6 Ų69.634%0.34236%0.355SS..EExtended strand (participates in β ladder)trans-85.1131.4171.2-165.210.6000110C11 E12 F97C11-N99 CarbonylContact C-O 3.59Å; C11-N99 WeakPolarHBondContact CA-O 3.47Å; C11-N99 VanDerWaalsContact CB-O 3.31Å; C11-N99 WeakPolarHBondContact CB-O 3.48Å; E12-N99 HydrophobicContact CB-CB 4.34Å; E12-N99 PolarHBondContact N-O 3.46Å; E12-N99 PolarHBondContact O-N 3.08Å; F97-N99 HydrophobicContact CD2-CB 4.3Å; F97-N99 HydrophobicContact CE2-CB 3.59Å; F97-N99 HydrophobicContact CZ-CB 4.36Å
100C95Very high90.7Very high27 Ų2768.2 Ų68.218%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-95.4110.5173-1750000110W78 L81W78-C100 PolarHBondContact NE1-SG 3.25Å; L81-C100 HydrophobicContact CD1-CB 4.12Å
101L95.5Very high91.5Very high34 Ų3461.8 Ų61.818%0.17833%0.328CS..EExtended strand (participates in β ladder)trans-79.7-43.3-178.5-61.4178.1000112.4L10 E12 I64 F113 Y117L10-L101 HydrophobicContact CD2-CB 4.26Å; L10-L101 HydrophobicContact CD2-CD1 4.41Å; L10-L101 HydrophobicContact CG-CB 4.31Å; L10-L101 HydrophobicContact CG-CD1 4.44Å; L10-L101 PolarHBondContact O-N 2.94Å; E12-L101 HydrophobicContact CB-CD1 4.09Å; E12-L101 HydrophobicContact CB-CG 4.24Å; I64-L101 HydrophobicContact CD1-CD1 4.12Å; L101-F113 HydrophobicContact CB-CE1 4.13Å; L101-Y117 HydrophobicContact CD1-CD1 4.02Å; L101-Y117 HydrophobicContact CD1-CE1 3.67Å; L101-Y117 HydrophobicContact CD1-CE2 4.45Å; L101-Y117 HydrophobicContact CD2-CE1 4.4Å; L101-Y117 HydrophobicContact CD2-CE2 4Å
102H95.9Very high92.4Very high58 Ų5864.9 Ų64.927%0.26932%0.322SS..EExtended strand (participates in β ladder)trans-152.9150.4-173.9-174.468.8000113L10 F113L10-H102 HydrophobicContact CB-CB 4.16Å; L10-H102 HydrophobicContact CD2-CB 4.26Å; L10-H102 PolarHBondContact N-O 2.99Å; L10-H102 PolarHBondContact O-N 3.49Å; H102-F113 HydrophobicContact CB-CD1 3.59Å; H102-F113 HydrophobicContact CB-CD2 4.39Å; H102-F113 HydrophobicContact CB-CE1 3.6Å; H102-F113 HydrophobicContact CB-CE2 4.39Å; H102-F113 HydrophobicContact CB-CG 4Å; H102-F113 HydrophobicContact CB-CZ 4.01Å; H102-F113 AromaticContact CG-CG 3.88Å; H102-F113 AromaticContact ND1-CD2 3.96Å
103V96.1Very high93.1Very high44 Ų4462.8 Ų62.827%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-120.3108.1173.2-170.90000109.7Y8 L9 Y74Y8-V103 CarbonylContact O-C 3.58Å; Y8-V103 WeakPolarHBondContact O-CA 3.31Å; L9-V103 HydrophobicContact CD2-CB 4.31Å; L9-V103 HydrophobicContact CD2-CG1 3.96Å; L9-V103 HydrophobicContact CD2-CG2 3.61Å; Y74-V103 HydrophobicContact CD2-CG1 3.83Å; Y74-V103 HydrophobicContact CE2-CG1 3.87Å
104G94.6Very high93.5Very high5 Ų555.2 Ų55.25%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-108.9162.3-178.800000114.2R7 Y8 C110R7-G104 WeakPolarHBondContact CA-O 3.29Å; R7-G104 WeakPolarHBondContact CD-O 3.45Å; Y8-G104 PolarHBondContact N-O 3.48Å; Y8-G104 PolarHBondContact O-N 3.02Å; G104-C110 VanDerWaalsContact CA-SG 3.54Å
105G93.4Very high93.7Very high35 Ų3559.3 Ų59.336%0.36131%0.309SS..SBendtrans-86.4-28.9171.900000113.4
106T92.3Very high93.7Very high70 Ų7064.2 Ų64.243%0.42932%0.319SS..SBendtrans-131156.6-177.663.10000110.1R108 T109 C110T106-R108 VanDerWaalsContact C-N 3.35Å; T106-T109 PolarHBondContact N-OG1 3.2Å; T106-T109 PolarHBondContact O-OG1 3.41Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.35Å; T106-T109 PolarHBondContact OG1-N 2.74Å; T106-T109 PolarHBondContact OG1-OG1 3.25Å; T106-C110 PolarHBondContact O-N 2.84Å; T106-C110 PolarHBondContact O-SG 3.31Å
107I92.2Very high93.9Very high63 Ų6365.8 Ų65.832%0.32332%0.323SS..Hα-helixtrans-65.9-41.4176.3-63.5174.3000110.1Y8 F66 T109 C110 Q111Y8-I107 HydrophobicContact CD1-CD1 4.39Å; Y8-I107 HydrophobicContact CD1-CG1 3.78Å; Y8-I107 HydrophobicContact CD2-CG1 4.18Å; Y8-I107 HydrophobicContact CE1-CD1 3.71Å; Y8-I107 HydrophobicContact CE1-CG1 3.47Å; Y8-I107 VanDerWaalsContact CE1-CG1 3.47Å; Y8-I107 HydrophobicContact CE2-CG1 3.9Å; Y8-I107 HydrophobicContact CG-CG1 4.12Å; F66-I107 HydrophobicContact CE1-CG2 4.23Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.93Å; I107-C110 WeakPolarHBondContact O-CB 3.32Å; I107-C110 PolarHBondContact O-N 3.3Å; I107-C110 VanDerWaalsContact O-N 3.09Å; I107-Q111 HydrophobicContact CG2-CG 4.07Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 2.98Å
108R92.4Very high93.9Very high169 Ų16963.7 Ų63.764%0.63832%0.318SS*.Hα-helixtrans-54.5-44.9177.7-68.2-170.3-177.1-168.52.7112.8T106 Q111 K112 E156T106-R108 VanDerWaalsContact C-N 3.35Å; R108-Q111 PolarHBondContact O-N 2.95Å; R108-K112 WeakPolarHBondContact O-CG 3.42Å; R108-K112 PolarHBondContact O-N 2.93Å; R108-E156 IonicContact NH1-OE1 3.62Å
109T93.4Very high93.7Very high68 Ų6865.5 Ų65.542%0.41733%0.329SS..Hα-helixtrans-65.9-39.7178.148.60000112.2T106 I107 K112 F113T106-T109 PolarHBondContact N-OG1 3.2Å; T106-T109 PolarHBondContact O-OG1 3.41Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.35Å; T106-T109 PolarHBondContact OG1-N 2.74Å; T106-T109 PolarHBondContact OG1-OG1 3.25Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.93Å; T109-K112 PolarHBondContact O-N 3.48Å; T109-F113 PolarHBondContact O-N 2.88Å
110C95.1Very high93.5Very high0 Ų067 Ų670%033%0.334CS..Hα-helixtrans-65.9-37.5174.7-62.10000112.1F66 G104 T106 I107 F113 L114F66-C110 HydrophobicContact CD1-CB 4.39Å; F66-C110 HydrophobicContact CE1-CB 3.48Å; F66-C110 VanDerWaalsContact CE1-CB 3.48Å; F66-C110 HydrophobicContact CZ-CB 4.05Å; G104-C110 VanDerWaalsContact CA-SG 3.54Å; T106-C110 PolarHBondContact O-N 2.84Å; T106-C110 PolarHBondContact O-SG 3.31Å; I107-C110 WeakPolarHBondContact O-CB 3.32Å; I107-C110 PolarHBondContact O-N 3.3Å; I107-C110 VanDerWaalsContact O-N 3.09Å; C110-F113 PolarHBondContact O-N 2.84Å; C110-L114 WeakPolarHBondContact O-CB 3.02Å; C110-L114 PolarHBondContact O-N 3.08Å
111Q93.6Very high93.4Very high100 Ų10067.9 Ų67.947%0.46734%0.335SS..Hα-helixtrans-66.4-47.8175.7-73.9171.1-40.600111.4F66 I107 R108 F113 L114 V115F66-Q111 HydrophobicContact CZ-CG 4.31Å; I107-Q111 HydrophobicContact CG2-CG 4.07Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 2.98Å; R108-Q111 PolarHBondContact O-N 2.95Å; Q111-F113 PolarHBondContact O-N 3.08Å; Q111-L114 PolarHBondContact O-N 2.98Å; Q111-V115 WeakPolarHBondContact O-CG2 3.43Å; Q111-V115 PolarHBondContact O-N 3.1Å
112K93.7Very high93.1Very high131 Ų13168.1 Ų68.157%0.5734%0.336SS*.Hα-helixtrans-56.3-40.5174.1-70.4-171.8-178.6-165.30110.8R108 T109 R116R108-K112 WeakPolarHBondContact O-CG 3.42Å; R108-K112 PolarHBondContact O-N 2.93Å; T109-K112 PolarHBondContact O-N 3.48Å; K112-R116 VanDerWaalsContact O-CG 3.32Å; K112-R116 WeakPolarHBondContact O-CG 3.38Å; K112-R116 PolarHBondContact O-N 3.33Å
113F95.8Very high92.8Very high67 Ų6770 Ų7029%0.29435%0.345SS..Hα-helixtrans-64.8-46.6173.1178.1-86.7000112.5L10 L101 H102 T109 C110 Q111 V115 R116 Y117L10-F113 HydrophobicContact CD2-CD1 3.6Å; L10-F113 HydrophobicContact CD2-CE1 4.01Å; L101-F113 HydrophobicContact CB-CE1 4.13Å; H102-F113 HydrophobicContact CB-CD1 3.59Å; H102-F113 HydrophobicContact CB-CD2 4.39Å; H102-F113 HydrophobicContact CB-CE1 3.6Å; H102-F113 HydrophobicContact CB-CE2 4.39Å; H102-F113 HydrophobicContact CB-CG 4Å; H102-F113 HydrophobicContact CB-CZ 4.01Å; H102-F113 AromaticContact CG-CG 3.88Å; H102-F113 AromaticContact ND1-CD2 3.96Å; T109-F113 PolarHBondContact O-N 2.88Å; C110-F113 PolarHBondContact O-N 2.84Å; Q111-F113 PolarHBondContact O-N 3.08Å; F113-V115 VanDerWaalsContact C-N 3.33Å; F113-V115 PolarHBondContact O-N 3.34Å; F113-R116 PolarHBondContact O-N 3.08Å; F113-Y117 WeakPolarHBondContact O-CB 3.31Å; F113-Y117 PolarHBondContact O-N 2.88Å
114L94.5Very high92.6Very high24 Ų2474.9 Ų74.913%0.12636%0.359CS..Hα-helixtrans-60.7-41.7-179178.862.4000112L10 I64 F66 C110 Q111 Y117 N118L10-L114 HydrophobicContact CD1-CD1 4.35Å; L10-L114 HydrophobicContact CD1-CD2 4.42Å; L10-L114 HydrophobicContact CD2-CB 4.04Å; L10-L114 HydrophobicContact CD2-CD1 4.19Å; I64-L114 HydrophobicContact CD1-CD1 4.1Å; I64-L114 HydrophobicContact CG1-CD1 4.16Å; I64-L114 HydrophobicContact CG2-CD1 4.07Å; I64-L114 HydrophobicContact CG2-CD2 3.99Å; F66-L114 HydrophobicContact CE2-CD2 4.1Å; F66-L114 HydrophobicContact CZ-CD2 4.4Å; C110-L114 WeakPolarHBondContact O-CB 3.02Å; C110-L114 PolarHBondContact O-N 3.08Å; Q111-L114 PolarHBondContact O-N 2.98Å; L114-Y117 PolarHBondContact O-N 3.34Å; L114-N118 WeakPolarHBondContact O-CB 3.43Å; L114-N118 PolarHBondContact O-N 3.13Å
115V92.1Very high92.3Very high91 Ų9179 Ų7955%0.55238%0.378SS*.Hα-helixtrans-59.8-50.5174.7173.60000110Q111 F113 Y117 N118 T119Q111-V115 WeakPolarHBondContact O-CG2 3.43Å; Q111-V115 PolarHBondContact O-N 3.1Å; F113-V115 VanDerWaalsContact C-N 3.33Å; F113-V115 PolarHBondContact O-N 3.34Å; V115-Y117 VanDerWaalsContact C-N 3.31Å; V115-Y117 PolarHBondContact O-N 3.44Å; V115-N118 PolarHBondContact O-N 2.94Å; V115-T119 PolarHBondContact O-N 3.29Å; V115-T119 PolarHBondContact O-OG1 3.5Å
116R91.8Very high92.1Very high176 Ų17679.1 Ų79.166%0.66437%0.37SS*.Hα-helixtrans-59.5-41.6177.9-68.517678.6174.56.2112.3K112 F113 Q120K112-R116 VanDerWaalsContact O-CG 3.32Å; K112-R116 WeakPolarHBondContact O-CG 3.38Å; K112-R116 PolarHBondContact O-N 3.33Å; F113-R116 PolarHBondContact O-N 3.08Å; R116-Q120 VanDerWaalsContact O-CG 3.3Å; R116-Q120 WeakPolarHBondContact O-CG 3.31Å; R116-Q120 PolarHBondContact O-N 3.06Å
117Y94Very high91.9Very high42 Ų4280.8 Ų80.817%0.16538%0.382CS..Hα-helixtrans-60.8-51.4176.4178.6-102000111E12 L101 F113 L114 V115 T119 Q120 Q121E12-Y117 PolarHBondContact OE2-OH 2.85Å; E12-Y117 VanDerWaalsContact OE2-OH 3.12Å; L101-Y117 HydrophobicContact CD1-CD1 4.02Å; L101-Y117 HydrophobicContact CD1-CE1 3.67Å; L101-Y117 HydrophobicContact CD1-CE2 4.45Å; L101-Y117 HydrophobicContact CD2-CE1 4.4Å; L101-Y117 HydrophobicContact CD2-CE2 4Å; F113-Y117 WeakPolarHBondContact O-CB 3.31Å; F113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 PolarHBondContact O-N 3.34Å; V115-Y117 VanDerWaalsContact C-N 3.31Å; V115-Y117 PolarHBondContact O-N 3.44Å; Y117-T119 PolarHBondContact O-N 3.4Å; Y117-Q120 WeakPolarHBondContact O-CB 3.36Å; Y117-Q120 PolarHBondContact O-N 3.4Å; Y117-Q121 HydrophobicContact CD1-CG 4.24Å; Y117-Q121 HydrophobicContact CE1-CG 3.97Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.34Å; Y117-Q121 VanDerWaalsContact CZ-NE2 3.34Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.29Å; Y117-Q121 PolarHBondContact OH-NE2 2.9Å
118N92.1Very high91.8Very high66 Ų6684.4 Ų84.435%0.35340%0.401SS..Hα-helixtrans-62-42.6179.9-73-9.8000112.1L114 V115 Q120 Q121 L122L114-N118 WeakPolarHBondContact O-CB 3.43Å; L114-N118 PolarHBondContact O-N 3.13Å; V115-N118 PolarHBondContact O-N 2.94Å; N118-Q120 VanDerWaalsContact C-N 3.33Å; N118-Q120 PolarHBondContact O-N 3Å; N118-Q121 PolarHBondContact O-N 2.92Å; N118-L122 WeakPolarHBondContact O-CG 3.25Å; N118-L122 PolarHBondContact O-N 2.83Å
119T89.9Confident91.6Very high41 Ų4177.7 Ų77.725%0.25238%0.38SS..Hα-helixtrans-58.9-44.7175.1-55.70000111.3V115 Y117 Q121 L122 H123V115-T119 PolarHBondContact O-N 3.29Å; V115-T119 PolarHBondContact O-OG1 3.5Å; Y117-T119 PolarHBondContact O-N 3.4Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 3.42Å; T119-L122 PolarHBondContact O-N 3.37Å; T119-H123 PolarHBondContact O-CD2 2.84Å; T119-H123 PolarHBondContact O-N 3.35Å
120Q91.2Very high91.4Very high96 Ų9683.9 Ų83.945%0.44940%0.404SS..Hα-helixtrans-63.7-37.8176.2-72.61762.300112.7R116 Y117 N118 H123 R124R116-Q120 VanDerWaalsContact O-CG 3.3Å; R116-Q120 WeakPolarHBondContact O-CG 3.31Å; R116-Q120 PolarHBondContact O-N 3.06Å; Y117-Q120 WeakPolarHBondContact O-CB 3.36Å; Y117-Q120 PolarHBondContact O-N 3.4Å; N118-Q120 VanDerWaalsContact C-N 3.33Å; N118-Q120 PolarHBondContact O-N 3Å; Q120-H123 PolarHBondContact O-N 3.03Å; Q120-R124 WeakPolarHBondContact O-CG 3.41Å; Q120-R124 PolarHBondContact O-N 3.48Å
121Q91.5Very high91.3Very high45 Ų4586.3 Ų86.321%0.2142%0.421CS..Hα-helixtrans-63.6-44.8175.6-66.5-59.9-21.100111.4Y117 N118 T119 H123 R124 M125Y117-Q121 HydrophobicContact CD1-CG 4.24Å; Y117-Q121 HydrophobicContact CE1-CG 3.97Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.34Å; Y117-Q121 VanDerWaalsContact CZ-NE2 3.34Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.29Å; Y117-Q121 PolarHBondContact OH-NE2 2.9Å; N118-Q121 PolarHBondContact O-N 2.92Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 3.42Å; Q121-H123 VanDerWaalsContact C-N 3.33Å; Q121-H123 PolarHBondContact O-N 3.29Å; Q121-R124 PolarHBondContact O-N 3.31Å; Q121-R124 VanDerWaalsContact O-N 3.12Å; Q121-M125 VanDerWaalsContact O-CG 3.3Å; Q121-M125 WeakPolarHBondContact O-CG 3.41Å; Q121-M125 PolarHBondContact O-N 3.47Å
122L90.3Very high91.1Very high40 Ų4089.6 Ų89.621%0.20944%0.436CS..Hα-helixtrans-59.8-42.6176.1-67.9173.9000111.9N118 T119 R124 M125 L126 I138 V142N118-L122 WeakPolarHBondContact O-CG 3.25Å; N118-L122 PolarHBondContact O-N 2.83Å; T119-L122 PolarHBondContact O-N 3.37Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.89Å; L122-M125 PolarHBondContact O-N 2.91Å; L122-L126 PolarHBondContact O-N 2.83Å; L122-L126 VanDerWaalsContact O-N 3.16Å; L122-I138 HydrophobicContact CB-CG2 4.41Å; L122-I138 HydrophobicContact CD2-CG2 4.31Å; L122-V142 HydrophobicContact CB-CG2 3.93Å; L122-V142 HydrophobicContact CD1-CG2 4.31Å
123H89.4Confident91Very high98 Ų9886.6 Ų86.645%0.45444%0.436SS..Hα-helixtrans-62.8-36.6175.4-72.9-61.8000113.1T119 Q120 Q121 P127T119-H123 PolarHBondContact O-CD2 2.84Å; T119-H123 PolarHBondContact O-N 3.35Å; Q120-H123 PolarHBondContact O-N 3.03Å; Q121-H123 VanDerWaalsContact C-N 3.33Å; Q121-H123 PolarHBondContact O-N 3.29Å; H123-P127 VanDerWaalsContact O-CD 3.3Å; H123-P127 WeakPolarHBondContact O-CD 3.44Å
124R91.4Very high90.6Very high145 Ų14588.1 Ų88.155%0.54744%0.444SS..Hα-helixtrans-71.6-30175.5-71175.5-169.7170.23112.8Q120 Q121 L122 P127Q120-R124 WeakPolarHBondContact O-CG 3.41Å; Q120-R124 PolarHBondContact O-N 3.48Å; Q121-R124 PolarHBondContact O-N 3.31Å; Q121-R124 VanDerWaalsContact O-N 3.12Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.89Å; R124-P127 VanDerWaalsContact O-CD 3.31Å; R124-P127 WeakPolarHBondContact O-CD 3.43Å; R124-P127 WeakPolarHBondContact O-CG 3.39Å
125M89Confident90.4Very high92 Ų9292.5 Ų92.545%0.45346%0.459SS..Hα-helixtrans-73.2-35.9178.4-72.2174.1178.900112.5Q121 L122 L128 C129 I138Q121-M125 VanDerWaalsContact O-CG 3.3Å; Q121-M125 WeakPolarHBondContact O-CG 3.41Å; Q121-M125 PolarHBondContact O-N 3.47Å; L122-M125 PolarHBondContact O-N 2.91Å; M125-L128 PolarHBondContact O-N 3.02Å; M125-C129 PolarHBondContact O-N 3.33Å; M125-C129 PolarHBondContact O-SG 2.83Å; M125-I138 HydrophobicContact CB-CD1 4.32Å
126L88.1Confident90.3Very high37 Ų3790.7 Ų90.719%0.19445%0.45CS..G310 helixtrans-46.8-48.2-179.2-79.9172.9000116L122 L128 R135 I138 R139L122-L126 PolarHBondContact O-N 2.83Å; L122-L126 VanDerWaalsContact O-N 3.16Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.81Å; L126-R135 HydrophobicContact CD2-CG 4.4Å; L126-I138 HydrophobicContact CD2-CB 3.96Å; L126-I138 HydrophobicContact CD2-CG2 3.47Å; L126-I138 VanDerWaalsContact CD2-CG2 3.47Å; L126-I138 HydrophobicContact CG-CG2 3.73Å; L126-R139 HydrophobicContact CD2-CG 4.2Å
127P88.7Confident90.2Very high106 Ų10688.6 Ų88.669%0.68845%0.448SS*.G310 helixtrans-73.1-19.8178.628-36.4000113.9H123 R124H123-P127 VanDerWaalsContact O-CD 3.3Å; H123-P127 WeakPolarHBondContact O-CD 3.44Å; R124-P127 VanDerWaalsContact O-CD 3.31Å; R124-P127 WeakPolarHBondContact O-CD 3.43Å; R124-P127 WeakPolarHBondContact O-CG 3.39Å
128L89.9Confident89.9Confident138 Ų13887.8 Ų87.872%0.72345%0.446SS*.G310 helixtrans-88-8.7-177.7-62.4173.1000113.2M125 L126 Q130M125-L128 PolarHBondContact O-N 3.02Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.81Å; L128-Q130 PolarHBondContact O-N 3.46Å
129C87.8Confident89.7Confident29 Ų2990.6 Ų90.620%0.19645%0.452CS..  trans-71.8127.3-176.9-61.90000111.1M125 R135 I138M125-C129 PolarHBondContact O-N 3.33Å; M125-C129 PolarHBondContact O-SG 2.83Å; C129-R135 HydrophobicContact CB-CB 4.41Å; C129-I138 WeakPolarHBondContact SG-CD1 3.41Å
130Q89.1Confident89.7Confident198 Ų19895.3 Ų95.393%0.92547%0.469SS*.  trans-90.2-29.5178.1-63.1-1783.900111.9L128L128-Q130 PolarHBondContact O-N 3.46Å
131S93.3Very high89.6Confident51 Ų5193 Ų9336%0.35746%0.463SS..  trans-95.8139.6-179177.70000112.5A133 R135S131-A133 VanDerWaalsContact C-N 3.28Å; S131-A133 PolarHBondContact O-N 3.18Å; S131-A133 PolarHBondContact OG-N 3.18Å; S131-R135 PolarHBondContact O-N 2.84Å
132E89.5Confident89.3Confident168 Ų16892 Ų9279%0.78546%0.461SS*.Hα-helixtrans-67.3-31173.6-169.9170.2-164.200112.1R135 S136E132-R135 PolarHBondContact O-N 3.09Å; E132-S136 WeakPolarHBondContact O-CB 3.47Å; E132-S136 PolarHBondContact O-N 3.31Å
133A90.8Very high89.1Confident68 Ų6895.4 Ų95.456%0.56248%0.478SS*.Hα-helixtrans-64.9-47.717700000111.6S131 R135 S136 E137S131-A133 VanDerWaalsContact C-N 3.28Å; S131-A133 PolarHBondContact O-N 3.18Å; S131-A133 PolarHBondContact OG-N 3.18Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.14Å; A133-S136 WeakPolarHBondContact O-CB 3.43Å; A133-S136 PolarHBondContact O-N 3.31Å; A133-E137 PolarHBondContact O-N 2.85Å
134E89.1Confident88.9Confident100 Ų10094 Ų9447%0.46748%0.479SS..Hα-helixtrans-61.1-42.1176.1-67.9176169.600111.1S136 E137 I138E134-S136 VanDerWaalsContact C-N 3.31Å; E134-S136 PolarHBondContact O-N 3.29Å; E134-E137 PolarHBondContact O-N 2.87Å; E134-I138 WeakPolarHBondContact O-CG1 3.37Å; E134-I138 PolarHBondContact O-N 2.85Å
135R89.4Confident88Confident116 Ų11690 Ų9044%0.43847%0.473SS..Hα-helixtrans-63.6-38.4178.2-166.5177.2-174.1-176.72112L126 C129 S131 E132 A133 R139L126-R135 HydrophobicContact CD2-CG 4.4Å; C129-R135 HydrophobicContact CB-CB 4.41Å; S131-R135 PolarHBondContact O-N 2.84Å; E132-R135 PolarHBondContact O-N 3.09Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 3.14Å; R135-R139 WeakPolarHBondContact O-CB 3.04Å; R135-R139 VanDerWaalsContact O-CG 3.25Å; R135-R139 WeakPolarHBondContact O-CG 3.39Å; R135-R139 PolarHBondContact O-N 3.3Å
136S89.8Confident87Confident52 Ų5290 Ų9036%0.36448%0.478SS..Hα-helixtrans-64.6-43.7174.8-174.70000111.4E132 A133 E134 R139 K140E132-S136 WeakPolarHBondContact O-CB 3.47Å; E132-S136 PolarHBondContact O-N 3.31Å; A133-S136 WeakPolarHBondContact O-CB 3.43Å; A133-S136 PolarHBondContact O-N 3.31Å; E134-S136 VanDerWaalsContact C-N 3.31Å; E134-S136 PolarHBondContact O-N 3.29Å; S136-R139 PolarHBondContact O-N 2.92Å; S136-K140 WeakPolarHBondContact O-CG 3.38Å; S136-K140 PolarHBondContact O-N 3.37Å
137E90.2Very high85.4Confident132 Ų13294.6 Ų94.662%0.61750%0.502SS*.Hα-helixtrans-64-47.6177.9-170.1168.9-164.900112.1A133 E134 R139 K140 S141A133-E137 PolarHBondContact O-N 2.85Å; E134-E137 PolarHBondContact O-N 2.87Å; E137-R139 VanDerWaalsContact C-N 3.31Å; E137-R139 PolarHBondContact O-N 3.45Å; E137-K140 WeakPolarHBondContact O-CB 2.86Å; E137-K140 PolarHBondContact O-N 2.88Å; E137-K140 VanDerWaalsContact O-N 3.12Å; E137-S141 PolarHBondContact O-N 2.86Å; E137-S141 PolarHBondContact O-OG 3.05Å
138I88.5Confident83.9Confident25 Ų2597.2 Ų97.213%0.12850%0.503CS..Hα-helixtrans-62.7-39.7177.5-64.4165.6000110.8L122 M125 L126 C129 E134 K140 S141 V142L122-I138 HydrophobicContact CB-CG2 4.41Å; L122-I138 HydrophobicContact CD2-CG2 4.31Å; M125-I138 HydrophobicContact CB-CD1 4.32Å; L126-I138 HydrophobicContact CD2-CB 3.96Å; L126-I138 HydrophobicContact CD2-CG2 3.47Å; L126-I138 VanDerWaalsContact CD2-CG2 3.47Å; L126-I138 HydrophobicContact CG-CG2 3.73Å; C129-I138 WeakPolarHBondContact SG-CD1 3.41Å; E134-I138 WeakPolarHBondContact O-CG1 3.37Å; E134-I138 PolarHBondContact O-N 2.85Å; I138-K140 PolarHBondContact O-N 3.45Å; I138-S141 PolarHBondContact O-N 3.07Å; I138-V142 HydrophobicContact CG2-CG2 4.3Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.26Å; I138-V142 PolarHBondContact O-N 3.5Å
139R87.4Confident82.1Confident125 Ų12598.3 Ų98.347%0.47250%0.502SS..Hα-helixtrans-59.6-44.6173.8-81.2174.9175.3167.5-2.3111.8L126 R135 S136 E137 S141 V142 L143L126-R139 HydrophobicContact CD2-CG 4.2Å; R135-R139 WeakPolarHBondContact O-CB 3.04Å; R135-R139 VanDerWaalsContact O-CG 3.25Å; R135-R139 WeakPolarHBondContact O-CG 3.39Å; R135-R139 PolarHBondContact O-N 3.3Å; S136-R139 PolarHBondContact O-N 2.92Å; E137-R139 VanDerWaalsContact C-N 3.31Å; E137-R139 PolarHBondContact O-N 3.45Å; R139-S141 VanDerWaalsContact C-N 3.34Å; R139-S141 PolarHBondContact O-N 3.42Å; R139-V142 PolarHBondContact O-N 3.13Å; R139-L143 WeakPolarHBondContact O-CB 3.34Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.28Å; R139-L143 PolarHBondContact O-N 3.11Å
140K89.8Confident79.9Confident141 Ų141104.1 Ų104.161%0.61353%0.526SS*.Hα-helixtrans-60-44.8175.1-70.6171-174.9179.40111.1S136 E137 I138 L143 S144S136-K140 WeakPolarHBondContact O-CG 3.38Å; S136-K140 PolarHBondContact O-N 3.37Å; E137-K140 WeakPolarHBondContact O-CB 2.86Å; E137-K140 PolarHBondContact O-N 2.88Å; E137-K140 VanDerWaalsContact O-N 3.12Å; I138-K140 PolarHBondContact O-N 3.45Å; K140-L143 PolarHBondContact O-N 2.89Å; K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 2.83Å
141S87.9Confident78Confident46 Ų4697.6 Ų97.632%0.32251%0.506SS..Hα-helixtrans-61.4-45.7176.7-56.60000112E137 I138 R139 L143 S144 C145E137-S141 PolarHBondContact O-N 2.86Å; E137-S141 PolarHBondContact O-OG 3.05Å; I138-S141 PolarHBondContact O-N 3.07Å; R139-S141 VanDerWaalsContact C-N 3.34Å; R139-S141 PolarHBondContact O-N 3.42Å; S141-L143 PolarHBondContact O-N 2.87Å; S141-S144 PolarHBondContact O-N 3.49Å; S141-S144 PolarHBondContact O-OG 3.27Å; S141-C145 PolarHBondContact O-N 3.44Å; S141-C145 VanDerWaalsContact O-N 3.13Å; S141-C145 PolarHBondContact O-SG 3.24Å
142V86.4Confident75.8Confident26 Ų26100.6 Ų100.616%0.15852%0.518CS..Hα-helixtrans-61.2-46.3178171.80000111.3L122 I138 R139 S144 C145 T146L122-V142 HydrophobicContact CB-CG2 3.93Å; L122-V142 HydrophobicContact CD1-CG2 4.31Å; I138-V142 HydrophobicContact CG2-CG2 4.3Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.26Å; I138-V142 PolarHBondContact O-N 3.5Å; R139-V142 PolarHBondContact O-N 3.13Å; V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.25Å; V142-C145 PolarHBondContact O-N 3.24Å; V142-C145 VanDerWaalsContact O-N 3.16Å; V142-T146 PolarHBondContact O-N 2.79Å; V142-T146 PolarHBondContact O-OG1 3.19Å
143L85.1Confident73.7Confident111 Ų11197.8 Ų97.858%0.58151%0.508SS*.Hα-helixtrans-60.9-39.5176.6-72.7164.7000112R139 K140 S141 C145 T146R139-L143 WeakPolarHBondContact O-CB 3.34Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.28Å; R139-L143 PolarHBondContact O-N 3.11Å; K140-L143 PolarHBondContact O-N 2.89Å; S141-L143 PolarHBondContact O-N 2.87Å; L143-C145 VanDerWaalsContact C-N 3.26Å; L143-C145 PolarHBondContact O-N 3.01Å; L143-T146 WeakPolarHBondContact CA-OG1 3.42Å; L143-T146 PolarHBondContact O-N 3.11Å; L143-T146 PolarHBondContact O-OG1 2.83Å
144S85Confident71.3Confident67 Ų67101.9 Ų101.947%0.46952%0.516SS..Hα-helixtrans-65.9-28.4177.478.50000113.2K140 S141 V142K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 2.83Å; S141-S144 PolarHBondContact O-N 3.49Å; S141-S144 PolarHBondContact O-OG 3.27Å; V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.25Å
145C73.6Confident69.2Low63 Ų63104.8 Ų104.843%0.42653%0.529SS..Hα-helixtrans-77.8-26.9178.4-66.60000113S141 V142 L143S141-C145 PolarHBondContact O-N 3.44Å; S141-C145 VanDerWaalsContact O-N 3.13Å; S141-C145 PolarHBondContact O-SG 3.24Å; V142-C145 PolarHBondContact O-N 3.24Å; V142-C145 VanDerWaalsContact O-N 3.16Å; L143-C145 VanDerWaalsContact C-N 3.26Å; L143-C145 PolarHBondContact O-N 3.01Å
146T67.6Low67Low90 Ų90105.1 Ų105.155%0.55254%0.536SS*.Hα-helixtrans-76.7-31.3-17932.20000113.6V142 L143 K148V142-T146 PolarHBondContact O-N 2.79Å; V142-T146 PolarHBondContact O-OG1 3.19Å; L143-T146 WeakPolarHBondContact CA-OG1 3.42Å; L143-T146 PolarHBondContact O-N 3.11Å; L143-T146 PolarHBondContact O-OG1 2.83Å; T146-K148 PolarHBondContact O-N 3.26Å
147L55.7Low64.6Low135 Ų135109.9 Ų109.971%0.70756%0.557SS**THydrogen-bonded Turntrans-78.3-12.3-172.9-67.6167.2000114.7
148K56.4Low61.9Low161 Ų161115.7 Ų115.770%0.758%0.584SS**THydrogen-bonded Turntrans-88.9-8.4-178.2-77.1-172.2174.1-174.80114.9T146 E150T146-K148 PolarHBondContact O-N 3.26Å; K148-E150 VanDerWaalsContact C-N 3.3Å; K148-E150 PolarHBondContact O-N 3.24Å
149K51.2Low60.6Low160 Ų160120.2 Ų120.270%0.69661%0.607SS**Hα-helixtrans-72.8-24-174.1-123.3-178.4-178.9-176.40113.4
150E43Very low59.2Low152 Ų152119.9 Ų119.971%0.7161%0.614SS**Hα-helixtrans-80.6-28-175.5-66.2177.9169.600112.6K148K148-E150 VanDerWaalsContact C-N 3.3Å; K148-E150 PolarHBondContact O-N 3.24Å
151A47.5Very low57.5Low60 Ų60118.8 Ų118.850%0.49661%0.614SS.*Hα-helixtrans-81.5-31.1-176.200000114.4
152D48.2Very low55.7Low115 Ų115123.1 Ų123.162%0.61563%0.631SS**Hα-helixtrans-81.8-21.2-178-81.3-6.1000112.8
153D44.9Very low53.8Low108 Ų108129.1 Ų129.158%0.57866%0.661SS**Hα-helixtrans-83.5-20.7178.7-73.2-22.3000111.6
154E41.5Very low51.7Low154 Ų154130.3 Ų130.372%0.7267%0.666SS**Hα-helixtrans-83.3-21.4175.9-70-177.8174.400113.3
155E43.5Very low49.3Very low161 Ų161134.9 Ų134.975%0.75268%0.68SS**SBendtrans-92-7.2178.9-69.3-172.5179.200114.1
156E43.8Very low47.4Very low124 Ų124140.4 Ų140.458%0.57970%0.7SS**SBendtrans-89.7-3.9175.8-75-165.6156.900113.5R108R108-E156 IonicContact NH1-OE1 3.62Å
157D38.4Very low45.7Very low151 Ų151144.6 Ų144.681%0.80771%0.712SS**  trans-109.49.3-177.7-80.8-23.3000115.3
158E34.9Very low44.8Very low254 Ų254145.5 Ų145.5100%1.18771%0.713SS**  trans-111.50171-71.9-167.7166.800114.4

Retrieved 158 of 158 residues in 522.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).