A0A087Y049_POEFO Loading...

COMM domain-containing protein 6

Scaffold protein in the commander complex that is essential for endosomal recycling of transmembrane cargos; the commander complex is composed of the CCC subcomplex and the retriever subcomplex. May modulate activity of cullin-RING E3 ubiquitin ligase (CRL) complexes. Down-regulates activation of NF-kappa-B. Inhibits TNF-induced NFKB1 activation.

AlphaFold DB , UniProt , Accession A0A087Y049, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 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
1M35.9Very low52.2Low212 Ų21298.4 Ų98.4100%1.04456%0.561SS**  0790-72.7165.659.500109.5
2P41.3Very low54.7Low101 Ų10199.9 Ų99.966%0.65655%0.551SS**  trans-93.4-25.8-173.4-4.124.4000114.9A4 E5P2-A4 VanDerWaalsContact C-N 3.31Å; P2-A4 PolarHBondContact O-N 3.26Å; P2-E5 PolarHBondContact O-N 3.18Å
3A38.9Very low56.8Low76 Ų7693.1 Ų93.163%0.62852%0.516SS*.Hα-helixtrans-70.2-22.8-171.700000114.6S7A3-S7 PolarHBondContact O-N 2.87Å; A3-S7 PolarHBondContact O-OG 3.05Å; A3-S7 VanDerWaalsContact O-OG 3.06Å
4A36.2Very low58.9Low53 Ų5386.4 Ų86.444%0.43848%0.479SS..Hα-helixtrans-76.7-28-178.300000113.1P2 S7 H8P2-A4 VanDerWaalsContact C-N 3.31Å; P2-A4 PolarHBondContact O-N 3.26Å; A4-S7 WeakPolarHBondContact CA-OG 3.44Å; A4-S7 PolarHBondContact O-OG 3.23Å; A4-H8 PolarHBondContact O-N 2.86Å; A4-H8 PolarHBondContact O-ND1 3.05Å
5E38.2Very low60.8Low158 Ų15885.3 Ų85.374%0.73847%0.471SS*.Hα-helixtrans-80.4-37.7179.1-69.4-177.2162.500111.7P2 H8 G9P2-E5 PolarHBondContact O-N 3.18Å; E5-H8 PolarHBondContact O-N 3.34Å; E5-G9 PolarHBondContact O-N 3.49Å
6E51.4Low62.3Low143 Ų14382.8 Ų82.867%0.66845%0.454SS*.Hα-helixtrans-64.5-40.7175.6-72.5-176.7156.700112.2H8 G9 I10E6-H8 VanDerWaalsContact C-N 3.32Å; E6-H8 PolarHBondContact O-N 3.23Å; E6-G9 PolarHBondContact O-N 2.95Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.99Å
7S55.5Low63.8Low47 Ų4777.9 Ų77.933%0.32943%0.428SS..Hα-helixtrans-66.1-30.3176.453.20000113.4A3 A4 N11A3-S7 PolarHBondContact O-N 2.87Å; A3-S7 PolarHBondContact O-OG 3.05Å; A3-S7 VanDerWaalsContact O-OG 3.06Å; A4-S7 WeakPolarHBondContact CA-OG 3.44Å; A4-S7 PolarHBondContact O-OG 3.23Å; S7-N11 WeakPolarHBondContact O-CB 3.33Å; S7-N11 PolarHBondContact O-N 3.37Å; S7-N11 PolarHBondContact O-ND2 2.85Å
8H58.1Low65.1Low141 Ų14175.4 Ų75.465%0.65342%0.416SS*.Hα-helixtrans-68.8-40.2173.2-85.271.9000111.9A4 E5 E6 R12A4-H8 PolarHBondContact O-N 2.86Å; A4-H8 PolarHBondContact O-ND1 3.05Å; E5-H8 PolarHBondContact O-N 3.34Å; E6-H8 VanDerWaalsContact C-N 3.32Å; E6-H8 PolarHBondContact O-N 3.23Å; H8-R12 WeakPolarHBondContact O-CB 3.31Å; H8-R12 PolarHBondContact O-N 3.35Å
9G67.9Low66.1Low45 Ų4575.9 Ų75.946%0.46443%0.425SS..Hα-helixtrans-64.2-43.8175.800000112.8E5 E6 R12 A13E5-G9 PolarHBondContact O-N 3.49Å; E6-G9 PolarHBondContact O-N 2.95Å; G9-R12 PolarHBondContact O-N 3.49Å; G9-A13 PolarHBondContact O-N 3.45Å; G9-A13 VanDerWaalsContact O-N 3.13Å
10I71Confident67Low66 Ų6672.5 Ų72.534%0.33841%0.406SS..Hα-helixtrans-62.8-49.3177.1-67.9166000110.5E6 R12 A13 V14 F70E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.99Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.34Å; I10-A13 PolarHBondContact O-N 3.27Å; I10-A13 VanDerWaalsContact O-N 3.1Å; I10-V14 HydrophobicContact CG2-CG2 4.21Å; I10-V14 WeakPolarHBondContact O-CG2 2.81Å; I10-V14 PolarHBondContact O-N 2.94Å; I10-F70 HydrophobicContact CG2-CE2 3.94Å
11N80.3Confident67.8Low40 Ų4070.8 Ų70.821%0.21440%0.398CS..Hα-helixtrans-62.9-37.9-179.5-76.6-46.6000112.6S7 A13 V14 D15 S96S7-N11 WeakPolarHBondContact O-CB 3.33Å; S7-N11 PolarHBondContact O-N 3.37Å; S7-N11 PolarHBondContact O-ND2 2.85Å; N11-A13 VanDerWaalsContact C-N 3.32Å; N11-A13 PolarHBondContact O-N 2.99Å; N11-V14 PolarHBondContact O-N 3.39Å; N11-D15 WeakPolarHBondContact O-CB 3.29Å; N11-D15 VanDerWaalsContact O-CG 3.3Å; N11-D15 PolarHBondContact O-N 3.01Å; N11-S96 WeakPolarHBondContact OD1-CB 3.37Å; N11-S96 PolarHBondContact OD1-OG 3.42Å
12R81.8Confident70Confident117 Ų11764 Ų6444%0.44237%0.37SS..Hα-helixtrans-62.3-38.8173.9-174.2-179.4179.5-147.3-3.6111.8H8 G9 I10 K16 E62H8-R12 WeakPolarHBondContact O-CB 3.31Å; H8-R12 PolarHBondContact O-N 3.35Å; G9-R12 PolarHBondContact O-N 3.49Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.34Å; R12-K16 VanDerWaalsContact O-CG 3.32Å; R12-K16 WeakPolarHBondContact O-CG 3.39Å; R12-K16 PolarHBondContact O-N 3.01Å; R12-E62 IonicContact CZ-OE1 3.86Å; R12-E62 IonicContact CZ-OE2 3.37Å; R12-E62 IonicContact NH1-OE1 3.27Å; R12-E62 PolarHBondContact NH1-OE1 3.26Å; R12-E62 IonicContact NH1-OE2 3.83Å; R12-E62 PolarHBondContact NH1-OE2 2.91Å; R12-E62 IonicContact NH2-OE1 2.72Å; R12-E62 IonicContact NH2-OE2 3.66Å; R12-E62 PolarHBondContact NH2-OE2 3.28Å
13A82.4Confident72.1Confident11 Ų1165 Ų659%0.09136%0.361CS..Hα-helixtrans-69.4-43.8176.200000111.6G9 I10 N11 K16 I17 F70G9-A13 PolarHBondContact O-N 3.45Å; G9-A13 VanDerWaalsContact O-N 3.13Å; I10-A13 PolarHBondContact O-N 3.27Å; I10-A13 VanDerWaalsContact O-N 3.1Å; N11-A13 VanDerWaalsContact C-N 3.32Å; N11-A13 PolarHBondContact O-N 2.99Å; A13-K16 PolarHBondContact O-N 3.44Å; A13-I17 WeakPolarHBondContact O-CB 2.99Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.5Å; A13-I17 PolarHBondContact O-N 2.94Å; A13-F70 HydrophobicContact CB-CB 4.3Å; A13-F70 HydrophobicContact CB-CG 4.41Å
14V86.3Confident74.3Confident0 Ų061.4 Ų61.40%033%0.332CS..Hα-helixtrans-62-43.4177.7174.80000111.5I10 N11 K16 I17 C18 F70 K98 W99I10-V14 HydrophobicContact CG2-CG2 4.21Å; I10-V14 WeakPolarHBondContact O-CG2 2.81Å; I10-V14 PolarHBondContact O-N 2.94Å; N11-V14 PolarHBondContact O-N 3.39Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 3.21Å; V14-I17 PolarHBondContact O-N 2.96Å; V14-C18 WeakPolarHBondContact O-CB 3.33Å; V14-C18 PolarHBondContact O-N 3.44Å; V14-C18 PolarHBondContact O-SG 3.02Å; V14-F70 HydrophobicContact CG2-CZ 4.33Å; V14-K98 HydrophobicContact CG1-CB 4.08Å; V14-W99 HydrophobicContact CG1-CD2 3.71Å; V14-W99 HydrophobicContact CG1-CE3 4.24Å; V14-W99 HydrophobicContact CG1-CG 3.91Å; V14-W99 HydrophobicContact CG1-CZ2 4.23Å; V14-W99 HydrophobicContact CG2-CH2 4.5Å; V14-W99 HydrophobicContact CG2-CZ2 3.69Å
15D86.3Confident76.8Confident69 Ų6959 Ų5937%0.36931%0.311SS..Hα-helixtrans-56.9-47.6174.9-77.8-37.8000111.2N11 C18 S19 K98N11-D15 WeakPolarHBondContact O-CB 3.29Å; N11-D15 VanDerWaalsContact O-CG 3.3Å; N11-D15 PolarHBondContact O-N 3.01Å; D15-C18 PolarHBondContact O-N 3.5Å; D15-S19 PolarHBondContact O-N 3.22Å; D15-K98 WeakPolarHBondContact OD1-CD 3.49Å; D15-K98 IonicContact OD1-NZ 2.72Å; D15-K98 PolarHBondContact OD1-NZ 3.03Å; D15-K98 IonicContact OD2-NZ 3.96Å; D15-K98 PolarHBondContact OD2-NZ 3.38Å
16K85.9Confident79.2Confident46 Ų4654 Ų5420%0.229%0.292CS..Hα-helixtrans-66.1-39.5178.5-70.1-179.1167.7-168.90111.6R12 A13 V14 S19 L20 D60 A63 I67R12-K16 VanDerWaalsContact O-CG 3.32Å; R12-K16 WeakPolarHBondContact O-CG 3.39Å; R12-K16 PolarHBondContact O-N 3.01Å; A13-K16 PolarHBondContact O-N 3.44Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 3.21Å; K16-S19 PolarHBondContact O-N 3.3Å; K16-S19 PolarHBondContact O-OG 3.1Å; K16-L20 PolarHBondContact O-N 3.4Å; K16-D60 IonicContact NZ-OD1 3.46Å; K16-D60 PolarHBondContact NZ-OD1 3.42Å; K16-D60 IonicContact NZ-OD2 2.67Å; K16-D60 PolarHBondContact NZ-OD2 2.91Å; K16-A63 HydrophobicContact CD-CB 3.48Å; K16-A63 VanDerWaalsContact CD-CB 3.48Å; K16-A63 VanDerWaalsContact NZ-CB 3.29Å; K16-I67 HydrophobicContact CB-CD1 4.01Å; K16-I67 HydrophobicContact CB-CG1 4.31Å
17I86.5Confident80.9Confident0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-62.3-43.6174.8-71.4165000111.4A13 V14 S19 L20 L25 I67 F70 L71 W99A13-I17 WeakPolarHBondContact O-CB 2.99Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.5Å; A13-I17 PolarHBondContact O-N 2.94Å; V14-I17 PolarHBondContact O-N 2.96Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.44Å; I17-L20 WeakPolarHBondContact O-CB 3.23Å; I17-L20 PolarHBondContact O-N 3.37Å; I17-L20 VanDerWaalsContact O-N 3.16Å; I17-L25 HydrophobicContact CG2-CD1 3.79Å; I17-L25 HydrophobicContact CG2-CD2 4.09Å; I17-I67 HydrophobicContact CD1-CG2 4.33Å; I17-I67 HydrophobicContact CG1-CB 4.39Å; I17-I67 HydrophobicContact CG1-CG1 4.01Å; I17-I67 HydrophobicContact CG1-CG2 3.81Å; I17-F70 HydrophobicContact CD1-CD1 3.54Å; I17-F70 HydrophobicContact CD1-CE1 4Å; I17-F70 HydrophobicContact CD1-CG 4.4Å; I17-L71 HydrophobicContact CD1-CD2 4.22Å; I17-L71 HydrophobicContact CD1-CG 4.3Å; I17-W99 HydrophobicContact CB-CH2 4.49Å; I17-W99 HydrophobicContact CB-CZ3 4.41Å; I17-W99 HydrophobicContact CD1-CH2 4.08Å; I17-W99 HydrophobicContact CG2-CH2 3.89Å; I17-W99 HydrophobicContact CG2-CZ3 3.55Å
18C87.4Confident82.5Confident32 Ų3248.1 Ų48.122%0.21626%0.26CS..Hα-helixtrans-72.8-22.6-178.9-64.80000112.7V14 D15 L20 S100V14-C18 WeakPolarHBondContact O-CB 3.33Å; V14-C18 PolarHBondContact O-N 3.44Å; V14-C18 PolarHBondContact O-SG 3.02Å; D15-C18 PolarHBondContact O-N 3.5Å; C18-L20 VanDerWaalsContact C-N 3.29Å; C18-S100 PolarHBondContact SG-N 3.04Å
19S85.3Confident84.1Confident85 Ų8541.4 Ų41.459%0.59423%0.229SC*.Hα-helixtrans-76.1-15171.776.30000113.7D15 K16 I17D15-S19 PolarHBondContact O-N 3.22Å; K16-S19 PolarHBondContact O-N 3.3Å; K16-S19 PolarHBondContact O-OG 3.1Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.44Å
20L83.3Confident85.2Confident8 Ų842 Ų424%0.04222%0.219CC..SBendtrans-73.9138178.1-73.5171.4000111.1K16 I17 C18 L24 L52 I59 I67K16-L20 PolarHBondContact O-N 3.4Å; I17-L20 WeakPolarHBondContact O-CB 3.23Å; I17-L20 PolarHBondContact O-N 3.37Å; I17-L20 VanDerWaalsContact O-N 3.16Å; C18-L20 VanDerWaalsContact C-N 3.29Å; L20-L24 HydrophobicContact CD2-CB 4.46Å; L20-L52 HydrophobicContact CD2-CD2 3.96Å; L20-I59 HydrophobicContact CD2-CD1 3.3Å; L20-I59 HydrophobicContact CG-CD1 4.3Å; L20-I67 HydrophobicContact CD1-CD1 4.16Å
21P83.4Confident86.1Confident37 Ų3741.2 Ų41.224%0.2421%0.214CC..  trans-54.3141.1164.2-25.734.1000111.6Y23 L24 L25P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 HydrophobicContact CB-CD1 3.64Å; P21-Y23 HydrophobicContact CB-CE1 3.2Å; P21-Y23 HydrophobicContact CG-CE1 4Å; P21-Y23 PolarHBondContact O-N 3.26Å; P21-Y23 VanDerWaalsContact O-N 3.15Å; P21-L24 HydrophobicContact CB-CD1 4.38Å; P21-L24 HydrophobicContact CB-CG 4.48Å; P21-L24 HydrophobicContact CG-CD1 3.96Å; P21-L24 PolarHBondContact O-N 2.79Å; P21-L25 PolarHBondContact O-N 2.7Å; P21-L25 VanDerWaalsContact O-N 3.12Å
22P83.3Confident86.7Confident69 Ų6939.3 Ų39.345%0.44820%0.204SC..Hα-helixtrans-53.5-39.6-176.4-29.535.2000114.1L24 L25 T26P22-L24 PolarHBondContact O-N 3.42Å; P22-L25 PolarHBondContact O-N 3.25Å; P22-T26 PolarHBondContact O-N 3.35Å; P22-T26 PolarHBondContact O-OG1 3.26Å
23Y84.6Confident87.2Confident122 Ų12233.7 Ų33.748%0.47818%0.183SC..Hα-helixtrans-65.5-34.9179.470.3-86.8000113.2P21 T26 E27 V55P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 HydrophobicContact CB-CD1 3.64Å; P21-Y23 HydrophobicContact CB-CE1 3.2Å; P21-Y23 HydrophobicContact CG-CE1 4Å; P21-Y23 PolarHBondContact O-N 3.26Å; P21-Y23 VanDerWaalsContact O-N 3.15Å; Y23-T26 WeakPolarHBondContact O-CB 3.48Å; Y23-T26 PolarHBondContact O-N 3.26Å; Y23-E27 WeakPolarHBondContact O-CB 3.47Å; Y23-E27 PolarHBondContact O-N 3.26Å; Y23-V55 HydrophobicContact CE2-CG1 4.17Å; Y23-V55 WeakPolarHBondContact OH-CG1 3.36Å
24L84.9Confident87.6Confident1 Ų134.6 Ų34.61%0.00519%0.187CC..Hα-helixtrans-73.8-36.4176.7-69.1175.9000111.5L20 P21 P22 T26 E27 T28 L52 V55 V57L20-L24 HydrophobicContact CD2-CB 4.46Å; P21-L24 HydrophobicContact CB-CD1 4.38Å; P21-L24 HydrophobicContact CB-CG 4.48Å; P21-L24 HydrophobicContact CG-CD1 3.96Å; P21-L24 PolarHBondContact O-N 2.79Å; P22-L24 PolarHBondContact O-N 3.42Å; L24-T26 VanDerWaalsContact C-N 3.32Å; L24-E27 PolarHBondContact O-N 3.07Å; L24-T28 WeakPolarHBondContact O-CB 3.45Å; L24-T28 PolarHBondContact O-N 3.46Å; L24-T28 PolarHBondContact O-OG1 3.47Å; L24-L52 HydrophobicContact CB-CD2 3.94Å; L24-L52 HydrophobicContact CD1-CD2 3.69Å; L24-L52 HydrophobicContact CD2-CD2 4.02Å; L24-L52 HydrophobicContact CG-CD2 4.06Å; L24-V55 HydrophobicContact CD2-CG2 4.45Å; L24-V57 HydrophobicContact CD1-CB 4.43Å; L24-V57 HydrophobicContact CD1-CG2 3.79Å
25L88.4Confident87.9Confident1 Ų137.8 Ų37.81%0.00520%0.199CC..Hα-helixtrans-62.7-42.6171.6178.458.2000110.7I17 P21 P22 S29 L71 T106I17-L25 HydrophobicContact CG2-CD1 3.79Å; I17-L25 HydrophobicContact CG2-CD2 4.09Å; P21-L25 PolarHBondContact O-N 2.7Å; P21-L25 VanDerWaalsContact O-N 3.12Å; P22-L25 PolarHBondContact O-N 3.25Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 3.02Å; L25-L71 HydrophobicContact CD1-CD1 4.11Å; L25-T106 HydrophobicContact CD2-CG2 4.24Å; L25-T106 HydrophobicContact CG-CG2 4.24Å
26T89.9Confident88.1Confident54 Ų5434.9 Ų34.933%0.33118%0.184SC..Hα-helixtrans-59.6-51.6175.4-59.80000111.1P22 Y23 L24 T28 S29 Q30 T106 L110P22-T26 PolarHBondContact O-N 3.35Å; P22-T26 PolarHBondContact O-OG1 3.26Å; Y23-T26 WeakPolarHBondContact O-CB 3.48Å; Y23-T26 PolarHBondContact O-N 3.26Å; L24-T26 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 3.3Å; T26-S29 PolarHBondContact O-N 2.99Å; T26-Q30 WeakPolarHBondContact O-CB 3.21Å; T26-Q30 PolarHBondContact O-N 3.27Å; T26-T106 WeakPolarHBondContact OG1-CG2 3.32Å; T26-L110 HydrophobicContact CG2-CD1 4.31Å; T26-L110 HydrophobicContact CG2-CD2 4.15Å
27E86.9Confident88.4Confident60 Ų6033.6 Ų33.628%0.2818%0.179SC..Hα-helixtrans-61.5-45.4-178.6-172.2179.4-174.200112.4Y23 L24 S29 Q30 H31 R51Y23-E27 WeakPolarHBondContact O-CB 3.47Å; Y23-E27 PolarHBondContact O-N 3.26Å; L24-E27 PolarHBondContact O-N 3.07Å; E27-S29 PolarHBondContact O-N 3.37Å; E27-Q30 WeakPolarHBondContact O-CB 2.94Å; E27-Q30 PolarHBondContact O-N 3.46Å; E27-H31 PolarHBondContact O-N 2.67Å; E27-R51 WeakPolarHBondContact OE1-CD 3.49Å; E27-R51 IonicContact OE1-CZ 2.86Å; E27-R51 IonicContact OE1-NE 3.7Å; E27-R51 IonicContact OE1-NH1 2.95Å; E27-R51 PolarHBondContact OE1-NH1 3.48Å
28T88.6Confident88.3Confident7 Ų735.5 Ų35.54%0.04320%0.198CC..Hα-helixtrans-61.7-45.4177.5-56.60000111L24 T26 Q30 H31 I32 I48 I67 L71L24-T28 WeakPolarHBondContact O-CB 3.45Å; L24-T28 PolarHBondContact O-N 3.46Å; L24-T28 PolarHBondContact O-OG1 3.47Å; T26-T28 PolarHBondContact O-N 3.3Å; T28-Q30 VanDerWaalsContact C-N 3.32Å; T28-Q30 PolarHBondContact O-N 2.83Å; T28-H31 PolarHBondContact O-N 3.12Å; T28-I32 HydrophobicContact CG2-CD1 4.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.41Å; T28-I32 PolarHBondContact O-N 3.43Å; T28-I48 HydrophobicContact CG2-CD1 4.4Å; T28-I48 HydrophobicContact CG2-CG2 4.12Å; T28-I67 HydrophobicContact CG2-CG2 4.49Å; T28-L71 HydrophobicContact CG2-CD1 4.32Å
29S92.1Very high88.3Confident0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-65.1-37.6177.6-60.60000111.4L25 T26 E27 I32 L33 L110L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 3.02Å; T26-S29 PolarHBondContact O-N 2.99Å; E27-S29 PolarHBondContact O-N 3.37Å; S29-I32 PolarHBondContact O-N 2.98Å; S29-L33 WeakPolarHBondContact O-CB 3.39Å; S29-L33 VanDerWaalsContact O-CG 3.26Å; S29-L33 WeakPolarHBondContact O-CG 3.2Å; S29-L33 PolarHBondContact O-N 2.8Å; S29-L110 VanDerWaalsContact CB-CD1 3.48Å
30Q91.1Very high88.3Confident56 Ų5639.2 Ų39.226%0.26221%0.207SC..Hα-helixtrans-61.9-48.9177.4-165.566.221.800111.5T26 E27 T28 I32 L33 T34 H114T26-Q30 WeakPolarHBondContact O-CB 3.21Å; T26-Q30 PolarHBondContact O-N 3.27Å; E27-Q30 WeakPolarHBondContact O-CB 2.94Å; E27-Q30 PolarHBondContact O-N 3.46Å; T28-Q30 VanDerWaalsContact C-N 3.32Å; T28-Q30 PolarHBondContact O-N 2.83Å; Q30-I32 PolarHBondContact O-N 2.72Å; Q30-L33 PolarHBondContact O-N 2.97Å; Q30-L33 VanDerWaalsContact O-N 3.11Å; Q30-T34 WeakPolarHBondContact O-CB 3.37Å; Q30-T34 PolarHBondContact O-N 3.01Å; Q30-T34 PolarHBondContact O-OG1 3.12Å; Q30-T34 VanDerWaalsContact O-OG1 3.04Å; Q30-H114 PolarHBondContact NE2-CE1 3.37Å; Q30-H114 VanDerWaalsContact NE2-CE1 3.32Å; Q30-H114 PolarHBondContact NE2-NE2 3.33Å; Q30-H114 PolarHBondContact OE1-NE2 3.2Å
31H89.5Confident87.9Confident50 Ų5045 Ų4523%0.23125%0.248CC..Hα-helixtrans-55.5-39.9176.3-92.1-125.3000111.9E27 T28 Y35 E47 I48E27-H31 PolarHBondContact O-N 2.67Å; T28-H31 PolarHBondContact O-N 3.12Å; H31-Y35 PolarHBondContact O-N 2.86Å; H31-Y35 VanDerWaalsContact O-N 3.17Å; H31-E47 IonicContact CE1-OE1 2.78Å; H31-E47 IonicContact CE1-OE2 3.57Å; H31-I48 HydrophobicContact CB-CD1 4.47Å
32I92.5Very high87.8Confident0 Ų044.9 Ų44.90%025%0.254CS..Hα-helixtrans-69.5-43177.4-65.6168.3000111.4T28 S29 Q30 Y35 L36 V43 T68 L71 L72 F75T28-I32 HydrophobicContact CG2-CD1 4.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.41Å; T28-I32 PolarHBondContact O-N 3.43Å; S29-I32 PolarHBondContact O-N 2.98Å; Q30-I32 PolarHBondContact O-N 2.72Å; I32-Y35 WeakPolarHBondContact O-CB 3.35Å; I32-Y35 PolarHBondContact O-N 3.41Å; I32-L36 HydrophobicContact CG2-CD1 4.13Å; I32-L36 HydrophobicContact CG2-CG 4.49Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.35Å; I32-V43 HydrophobicContact CG1-CG1 4.05Å; I32-V43 HydrophobicContact CG1-CG2 4.24Å; I32-T68 HydrophobicContact CD1-CG2 4.17Å; I32-T68 HydrophobicContact CG1-CG2 4.34Å; I32-L71 HydrophobicContact CD1-CB 3.59Å; I32-L71 HydrophobicContact CD1-CD1 4.13Å; I32-L72 HydrophobicContact CG2-CB 3.99Å; I32-L72 HydrophobicContact CG2-CD1 3.84Å; I32-F75 HydrophobicContact CG2-CD2 4.01Å
33L93.1Very high87.8Confident0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-66-42.6179.1-72.4165.9000111.5S29 Q30 Y35 L36 Q37 F75 L110 W111 H114 V118S29-L33 WeakPolarHBondContact O-CB 3.39Å; S29-L33 VanDerWaalsContact O-CG 3.26Å; S29-L33 WeakPolarHBondContact O-CG 3.2Å; S29-L33 PolarHBondContact O-N 2.8Å; Q30-L33 PolarHBondContact O-N 2.97Å; Q30-L33 VanDerWaalsContact O-N 3.11Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 3.48Å; L33-L36 CarbonylContact O-C 3.57Å; L33-L36 PolarHBondContact O-N 3.33Å; L33-L36 VanDerWaalsContact O-N 3.12Å; L33-Q37 WeakPolarHBondContact O-CB 3.5Å; L33-Q37 WeakPolarHBondContact O-CG 3.43Å; L33-Q37 PolarHBondContact O-N 3.39Å; L33-F75 HydrophobicContact CD1-CE2 4.4Å; L33-F75 HydrophobicContact CD1-CZ 4.47Å; L33-F75 HydrophobicContact CD2-CB 4.28Å; L33-F75 HydrophobicContact CD2-CD1 4.3Å; L33-F75 HydrophobicContact CD2-CD2 3.9Å; L33-F75 HydrophobicContact CD2-CE2 4.26Å; L33-F75 HydrophobicContact CD2-CG 3.93Å; L33-F75 HydrophobicContact CG-CD2 4.13Å; L33-F75 HydrophobicContact CG-CE2 4.11Å; L33-L110 HydrophobicContact CD1-CB 4.01Å; L33-W111 HydrophobicContact CD2-CE3 4.22Å; L33-W111 HydrophobicContact CD2-CZ3 4.23Å; L33-H114 HydrophobicContact CB-CB 4.43Å; L33-H114 HydrophobicContact CD1-CB 4.02Å; L33-H114 HydrophobicContact CD2-CB 4.16Å; L33-H114 HydrophobicContact CG-CB 4.43Å; L33-V118 HydrophobicContact CD2-CG2 3.92Å
34T91.3Very high87.6Confident29 Ų2941.4 Ų41.418%0.17824%0.241CC..Hα-helixtrans-56.6-43.5172.6-63.80000111.3Q30 Q37 G38 Q39 T40Q30-T34 WeakPolarHBondContact O-CB 3.37Å; Q30-T34 PolarHBondContact O-N 3.01Å; Q30-T34 PolarHBondContact O-OG1 3.12Å; Q30-T34 VanDerWaalsContact O-OG1 3.04Å; T34-Q37 PolarHBondContact O-N 3.15Å; T34-G38 PolarHBondContact O-N 3.16Å; T34-Q39 HydrophobicContact CG2-CB 3.68Å; T34-Q39 WeakPolarHBondContact O-CB 3.34Å; T34-Q39 PolarHBondContact O-N 3.23Å; T34-T40 HydrophobicContact CG2-CG2 3.77Å
35Y91.4Very high87.2Confident67 Ų6742.7 Ų42.726%0.26325%0.25SC..Hα-helixtrans-63.1-46173167.3-108.3000112.5H31 I32 L33 Q37 G38 T40 G42 V43 L72H31-Y35 PolarHBondContact O-N 2.86Å; H31-Y35 VanDerWaalsContact O-N 3.17Å; I32-Y35 WeakPolarHBondContact O-CB 3.35Å; I32-Y35 PolarHBondContact O-N 3.41Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 3.48Å; Y35-Q37 PolarHBondContact O-N 2.85Å; Y35-G38 WeakPolarHBondContact O-CA 3.39Å; Y35-G38 PolarHBondContact O-N 3.43Å; Y35-T40 WeakPolarHBondContact CA-OG1 3.46Å; Y35-T40 WeakPolarHBondContact CB-OG1 3.49Å; Y35-T40 WeakPolarHBondContact CD2-O 3.39Å; Y35-T40 PolarHBondContact N-OG1 3.2Å; Y35-G42 VanDerWaalsContact CD2-CA 3.45Å; Y35-V43 HydrophobicContact CD1-CG2 3.59Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CE1-CG2 4.42Å; Y35-V43 HydrophobicContact CG-CG2 3.61Å; Y35-L72 HydrophobicContact CD1-CD1 3.73Å; Y35-L72 HydrophobicContact CE1-CD1 3.75Å
36L90.8Very high86.7Confident9 Ų945.4 Ų45.45%0.04727%0.272CS..Hα-helixtrans-66-27.3179.1-74.3176.1000113.4I32 L33 G38 L72 F75 R76 V118 Q121I32-L36 HydrophobicContact CG2-CD1 4.13Å; I32-L36 HydrophobicContact CG2-CG 4.49Å; I32-L36 WeakPolarHBondContact O-CG 3.24Å; I32-L36 PolarHBondContact O-N 3.35Å; L33-L36 CarbonylContact O-C 3.57Å; L33-L36 PolarHBondContact O-N 3.33Å; L33-L36 VanDerWaalsContact O-N 3.12Å; L36-G38 PolarHBondContact O-N 2.92Å; L36-L72 HydrophobicContact CD1-CD1 4.16Å; L36-L72 HydrophobicContact CD2-CD1 3.62Å; L36-L72 HydrophobicContact CG-CD1 3.83Å; L36-F75 HydrophobicContact CD1-CB 3.46Å; L36-F75 VanDerWaalsContact CD1-CB 3.46Å; L36-R76 HydrophobicContact CD2-CB 4.1Å; L36-R76 HydrophobicContact CD2-CG 4.48Å; L36-V118 HydrophobicContact CB-CG1 4.1Å; L36-V118 HydrophobicContact CB-CG2 4.01Å; L36-V118 HydrophobicContact CD1-CG1 4.47Å; L36-Q121 WeakPolarHBondContact O-CG 3.28Å
37Q91.9Very high86.2Confident19 Ų1946.2 Ų46.29%0.08927%0.273CS..THydrogen-bonded Turntrans-76.6-2.5171-69.8165-6.700112.8L33 T34 Y35 Q39 H114 V118L33-Q37 WeakPolarHBondContact O-CB 3.5Å; L33-Q37 WeakPolarHBondContact O-CG 3.43Å; L33-Q37 PolarHBondContact O-N 3.39Å; T34-Q37 PolarHBondContact O-N 3.15Å; Y35-Q37 PolarHBondContact O-N 2.85Å; Q37-Q39 VanDerWaalsContact C-N 3.29Å; Q37-Q39 HydrophobicContact CB-CG 4.17Å; Q37-Q39 PolarHBondContact O-N 2.84Å; Q37-H114 PolarHBondContact NE2-ND1 3.28Å; Q37-H114 VanDerWaalsContact NE2-ND1 3.12Å; Q37-V118 HydrophobicContact CG-CG2 3.93Å
38G85.6Confident85.8Confident39 Ų3943.8 Ų43.840%0.40226%0.261SS..THydrogen-bonded Turntrans74.815.4179.400000114.6T34 Y35 L36T34-G38 PolarHBondContact O-N 3.16Å; Y35-G38 WeakPolarHBondContact O-CA 3.39Å; Y35-G38 PolarHBondContact O-N 3.43Å; L36-G38 PolarHBondContact O-N 2.92Å
39Q85.6Confident85.3Confident133 Ų13344.5 Ų44.562%0.62127%0.268SS*.SBendtrans-81.7-17.8179.7-63175.71.300112.5T34 Q37T34-Q39 HydrophobicContact CG2-CB 3.68Å; T34-Q39 WeakPolarHBondContact O-CB 3.34Å; T34-Q39 PolarHBondContact O-N 3.23Å; Q37-Q39 VanDerWaalsContact C-N 3.29Å; Q37-Q39 HydrophobicContact CB-CG 4.17Å; Q37-Q39 PolarHBondContact O-N 2.84Å
40T85.8Confident84.6Confident62 Ų6249 Ų4938%0.3829%0.291SS..SBendtrans-130.5156.1174.557.40000110.9T34 Y35 G42T34-T40 HydrophobicContact CG2-CG2 3.77Å; Y35-T40 WeakPolarHBondContact CA-OG1 3.46Å; Y35-T40 WeakPolarHBondContact CB-OG1 3.49Å; Y35-T40 WeakPolarHBondContact CD2-O 3.39Å; Y35-T40 PolarHBondContact N-OG1 3.2Å; T40-G42 VanDerWaalsContact C-N 3.34Å; T40-G42 PolarHBondContact OG1-O 2.85Å
41S75.4Confident83.9Confident130 Ų13050.4 Ų50.491%0.90930%0.295SS*.SBendtrans-78.5-16.3-178.954.80000113.9
42G81.4Confident83.2Confident35 Ų3548.3 Ų48.336%0.36129%0.285SS..  trans-170.7170.7-178.300000112.7Y35 T40Y35-G42 VanDerWaalsContact CD2-CA 3.45Å; T40-G42 VanDerWaalsContact C-N 3.34Å; T40-G42 PolarHBondContact OG1-O 2.85Å
43V82Confident82.5Confident32 Ų3255.2 Ų55.219%0.19432%0.317CS..  trans-100.8112.3170.3-175.20000108.3I32 Y35 S45 I48 T68I32-V43 HydrophobicContact CG1-CG1 4.05Å; I32-V43 HydrophobicContact CG1-CG2 4.24Å; Y35-V43 HydrophobicContact CD1-CG2 3.59Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CE1-CG2 4.42Å; Y35-V43 HydrophobicContact CG-CG2 3.61Å; V43-S45 PolarHBondContact O-N 3.1Å; V43-I48 HydrophobicContact CG1-CD1 3.58Å; V43-T68 HydrophobicContact CB-CG2 4.27Å; V43-T68 HydrophobicContact CG1-CG2 3.66Å
44D80.9Confident81.7Confident86 Ų8664.3 Ų64.346%0.4635%0.352SS..  trans-80.897.1177.6-169.9-22.3000110.7A46 E47 I48D44-A46 PolarHBondContact O-N 3.13Å; D44-A46 WeakPolarHBondContact OD1-CA 3.48Å; D44-A46 VanDerWaalsContact OD1-CB 3.31Å; D44-A46 WeakPolarHBondContact OD1-CB 3.34Å; D44-A46 PolarHBondContact OD1-N 3.45Å; D44-E47 HydrophobicContact CB-CB 3.85Å; D44-E47 PolarHBondContact O-N 3.06Å; D44-E47 PolarHBondContact OD1-N 2.91Å; D44-I48 WeakPolarHBondContact O-CG1 3.45Å; D44-I48 PolarHBondContact O-N 3.26Å; D44-I48 VanDerWaalsContact O-N 3.12Å
45S77.3Confident80.9Confident27 Ų2766.5 Ų66.519%0.18937%0.365CS..Hα-helixtrans-65.3-24.5176.9-55.60000113.3V43 A49V43-S45 PolarHBondContact O-N 3.1Å; S45-A49 WeakPolarHBondContact O-CB 3.22Å; S45-A49 PolarHBondContact O-N 3.42Å
46A77.7Confident79.9Confident58 Ų5866.2 Ų66.248%0.47938%0.382SS..Hα-helixtrans-75.5-38.8176.700000110.8D44 A49 L50D44-A46 PolarHBondContact O-N 3.13Å; D44-A46 WeakPolarHBondContact OD1-CA 3.48Å; D44-A46 VanDerWaalsContact OD1-CB 3.31Å; D44-A46 WeakPolarHBondContact OD1-CB 3.34Å; D44-A46 PolarHBondContact OD1-N 3.45Å; A46-A49 PolarHBondContact O-N 3.05Å; A46-L50 WeakPolarHBondContact O-CB 3.49Å; A46-L50 PolarHBondContact O-N 2.89Å
47E79Confident79.2Confident72 Ų7267.6 Ų67.634%0.33639%0.391SS..Hα-helixtrans-61.5-46.7172-168.3-172.7173.600111.2H31 D44 A49 L50 R51H31-E47 IonicContact CE1-OE1 2.78Å; H31-E47 IonicContact CE1-OE2 3.57Å; D44-E47 HydrophobicContact CB-CB 3.85Å; D44-E47 PolarHBondContact O-N 3.06Å; D44-E47 PolarHBondContact OD1-N 2.91Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 2.91Å; E47-L50 PolarHBondContact O-N 3.46Å; E47-R51 WeakPolarHBondContact O-CG 3.44Å; E47-R51 PolarHBondContact O-N 3.06Å; E47-R51 IonicContact OE1-CZ 3.34Å; E47-R51 IonicContact OE1-NE 3.49Å; E47-R51 PolarHBondContact OE1-NE 3.24Å; E47-R51 IonicContact OE1-NH2 2.72Å; E47-R51 PolarHBondContact OE1-NH2 3.35Å
48I79.8Confident78.3Confident8 Ų873.3 Ų73.34%0.04143%0.428CS..Hα-helixtrans-59.1-46.3176.6-65.6166.6000110.3T28 H31 V43 D44 L50 R51 L52 V64T28-I48 HydrophobicContact CG2-CD1 4.4Å; T28-I48 HydrophobicContact CG2-CG2 4.12Å; H31-I48 HydrophobicContact CB-CD1 4.47Å; V43-I48 HydrophobicContact CG1-CD1 3.58Å; D44-I48 WeakPolarHBondContact O-CG1 3.45Å; D44-I48 PolarHBondContact O-N 3.26Å; D44-I48 VanDerWaalsContact O-N 3.12Å; I48-L50 PolarHBondContact O-N 3.3Å; I48-R51 PolarHBondContact O-N 2.72Å; I48-L52 HydrophobicContact CG2-CD1 4.03Å; I48-L52 HydrophobicContact CG2-CG 4.48Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.35Å; I48-L52 PolarHBondContact O-N 3.41Å; I48-V64 HydrophobicContact CB-CG1 4.19Å; I48-V64 HydrophobicContact CG2-CG1 3.79Å
49A76.9Confident77.8Confident23 Ų2373.6 Ų73.619%0.1942%0.419CS..Hα-helixtrans-61.4-42.2178.200000112.6S45 A46 E47 R51 L52 Q53 V64S45-A49 WeakPolarHBondContact O-CB 3.22Å; S45-A49 PolarHBondContact O-N 3.42Å; A46-A49 PolarHBondContact O-N 3.05Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 2.91Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.46Å; A49-L52 PolarHBondContact O-N 2.72Å; A49-Q53 WeakPolarHBondContact O-CB 3.24Å; A49-Q53 PolarHBondContact O-N 3.25Å; A49-V64 HydrophobicContact CB-CG1 4.35Å; A49-V64 HydrophobicContact CB-CG2 4.1Å
50L77.8Confident77.6Confident93 Ų9370.8 Ų70.849%0.48741%0.409SS..Hα-helixtrans-65.8-38.7179.8-162.5156000111.5A46 E47 I48 Q53 R54A46-L50 WeakPolarHBondContact O-CB 3.49Å; A46-L50 PolarHBondContact O-N 2.89Å; E47-L50 PolarHBondContact O-N 3.46Å; I48-L50 PolarHBondContact O-N 3.3Å; L50-Q53 PolarHBondContact O-N 3.28Å; L50-R54 PolarHBondContact O-N 3.47Å
51R75.6Confident77.3Confident87 Ų8772.6 Ų72.633%0.32841%0.413SS..Hα-helixtrans-67-44.2175.3-69.6-172.4-174.4-1525.9112.1E27 E47 I48 A49 Q53 R54 V55E27-R51 WeakPolarHBondContact OE1-CD 3.49Å; E27-R51 IonicContact OE1-CZ 2.86Å; E27-R51 IonicContact OE1-NE 3.7Å; E27-R51 IonicContact OE1-NH1 2.95Å; E27-R51 PolarHBondContact OE1-NH1 3.48Å; E47-R51 WeakPolarHBondContact O-CG 3.44Å; E47-R51 PolarHBondContact O-N 3.06Å; E47-R51 IonicContact OE1-CZ 3.34Å; E47-R51 IonicContact OE1-NE 3.49Å; E47-R51 PolarHBondContact OE1-NE 3.24Å; E47-R51 IonicContact OE1-NH2 2.72Å; E47-R51 PolarHBondContact OE1-NH2 3.35Å; I48-R51 PolarHBondContact O-N 2.72Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.46Å; R51-Q53 VanDerWaalsContact C-N 3.29Å; R51-Q53 PolarHBondContact O-N 3.49Å; R51-R54 PolarHBondContact O-N 2.96Å; R51-V55 WeakPolarHBondContact O-CG2 3.1Å; R51-V55 PolarHBondContact O-N 3.03Å
52L75.5Confident77.7Confident6 Ų671.7 Ų71.73%0.03139%0.394CS..Hα-helixtrans-57.1-43.6174.1-69.8169.9000111.5L20 L24 I48 A49 R54 V55 V57 I59 V64L20-L52 HydrophobicContact CD2-CD2 3.96Å; L24-L52 HydrophobicContact CB-CD2 3.94Å; L24-L52 HydrophobicContact CD1-CD2 3.69Å; L24-L52 HydrophobicContact CD2-CD2 4.02Å; L24-L52 HydrophobicContact CG-CD2 4.06Å; I48-L52 HydrophobicContact CG2-CD1 4.03Å; I48-L52 HydrophobicContact CG2-CG 4.48Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.35Å; I48-L52 PolarHBondContact O-N 3.41Å; A49-L52 PolarHBondContact O-N 2.72Å; L52-R54 PolarHBondContact O-N 3.42Å; L52-V55 PolarHBondContact O-N 3.29Å; L52-V57 PolarHBondContact O-N 2.94Å; L52-I59 HydrophobicContact CD1-CD1 4.32Å; L52-V64 HydrophobicContact CD1-CG2 3.87Å
53Q77.2Confident77.7Confident144 Ų14470.2 Ų70.267%0.67338%0.378SS*.Hα-helixtrans-66.6-36.8179.3-166175.719.700112.8A49 L50 R51 V55 G56A49-Q53 WeakPolarHBondContact O-CB 3.24Å; A49-Q53 PolarHBondContact O-N 3.25Å; L50-Q53 PolarHBondContact O-N 3.28Å; R51-Q53 VanDerWaalsContact C-N 3.29Å; R51-Q53 PolarHBondContact O-N 3.49Å; Q53-V55 PolarHBondContact O-N 2.96Å; Q53-G56 PolarHBondContact O-N 3.46Å
54R76.8Confident77.8Confident192 Ų19268.9 Ų68.973%0.72537%0.37SS*.Hα-helixtrans-62.3-27.9177.6-169.4-178.1-65.6166.20.5112.6L50 R51 L52 G56L50-R54 PolarHBondContact O-N 3.47Å; R51-R54 PolarHBondContact O-N 2.96Å; L52-R54 PolarHBondContact O-N 3.42Å; R54-G56 VanDerWaalsContact C-N 3.29Å
55V75.3Confident78Confident74 Ų7469.5 Ų69.545%0.44837%0.37SS..THydrogen-bonded Turntrans-91.98.7179.1-165.80000112.2Y23 L24 R51 L52 Q53 V57Y23-V55 HydrophobicContact CE2-CG1 4.17Å; Y23-V55 WeakPolarHBondContact OH-CG1 3.36Å; L24-V55 HydrophobicContact CD2-CG2 4.45Å; R51-V55 WeakPolarHBondContact O-CG2 3.1Å; R51-V55 PolarHBondContact O-N 3.03Å; L52-V55 PolarHBondContact O-N 3.29Å; Q53-V55 PolarHBondContact O-N 2.96Å; V55-V57 VanDerWaalsContact C-N 3.35Å
56G70.5Confident78.4Confident62 Ų6269.7 Ų69.764%0.63938%0.376SS*.THydrogen-bonded Turntrans80.912.1175.300000114.3Q53 R54Q53-G56 PolarHBondContact O-N 3.46Å; R54-G56 VanDerWaalsContact C-N 3.29Å
57V75.8Confident78.9Confident37 Ų3767.1 Ų67.122%0.22436%0.355CS..  trans-92.2109.4177.6179.30000109.1L24 L52 V55 I59L24-V57 HydrophobicContact CD1-CB 4.43Å; L24-V57 HydrophobicContact CD1-CG2 3.79Å; L52-V57 PolarHBondContact O-N 2.94Å; V55-V57 VanDerWaalsContact C-N 3.35Å; V57-I59 HydrophobicContact CG1-CD1 3.46Å; V57-I59 VanDerWaalsContact CG1-CD1 3.46Å; V57-I59 HydrophobicContact CG1-CG1 3.7Å; V57-I59 PolarHBondContact O-N 2.88Å
58T71.9Confident79.4Confident140 Ų14064.1 Ų64.186%0.85934%0.341SS*.  trans-83.195177.452.80000110.3
59I75.4Confident79.9Confident45 Ų4572.3 Ų72.323%0.23137%0.372CS..  trans-115.1132.8173.8-73.2170.1000108.4L20 L52 V57 A63 V64L20-I59 HydrophobicContact CD2-CD1 3.3Å; L20-I59 HydrophobicContact CG-CD1 4.3Å; L52-I59 HydrophobicContact CD1-CD1 4.32Å; V57-I59 HydrophobicContact CG1-CD1 3.46Å; V57-I59 VanDerWaalsContact CG1-CD1 3.46Å; V57-I59 HydrophobicContact CG1-CG1 3.7Å; V57-I59 PolarHBondContact O-N 2.88Å; I59-A63 HydrophobicContact CG2-CB 3.23Å; I59-V64 HydrophobicContact CB-CG2 4.43Å; I59-V64 HydrophobicContact CG2-CG2 3.61Å
60D81.3Confident80.6Confident74 Ų7472.8 Ų72.840%0.39637%0.369SS..  trans-65.7149.5177.459.52.5000111.2K16 E62 A63 V64K16-D60 IonicContact NZ-OD1 3.46Å; K16-D60 PolarHBondContact NZ-OD1 3.42Å; K16-D60 IonicContact NZ-OD2 2.67Å; K16-D60 PolarHBondContact NZ-OD2 2.91Å; D60-E62 PolarHBondContact O-N 2.91Å; D60-A63 WeakPolarHBondContact O-CB 3.36Å; D60-A63 PolarHBondContact O-N 2.77Å; D60-A63 VanDerWaalsContact OD1-CA 3.32Å; D60-A63 WeakPolarHBondContact OD1-CA 3.4Å; D60-A63 WeakPolarHBondContact OD1-CB 3.47Å; D60-A63 PolarHBondContact OD1-N 2.96Å; D60-V64 PolarHBondContact O-N 3.31Å
61H79.8Confident81.3Confident100 Ų10068.4 Ų68.446%0.46335%0.346SS..Hα-helixtrans-58.3-34.3-179.2-174.269.1000112.2V64 Q65H61-V64 PolarHBondContact O-N 3.42Å; H61-Q65 PolarHBondContact NE2-NE2 3.17Å; H61-Q65 WeakPolarHBondContact O-CG 3.35Å; H61-Q65 PolarHBondContact O-N 3Å; H61-Q65 VanDerWaalsContact O-N 3.1Å
62E83.5Confident82.1Confident111 Ų11165.6 Ų65.652%0.51934%0.338SS..Hα-helixtrans-62.2-41.1175.6-161.8-154.7167.400112.2R12 D60 G66R12-E62 IonicContact CZ-OE1 3.86Å; R12-E62 IonicContact CZ-OE2 3.37Å; R12-E62 IonicContact NH1-OE1 3.27Å; R12-E62 PolarHBondContact NH1-OE1 3.26Å; R12-E62 IonicContact NH1-OE2 3.83Å; R12-E62 PolarHBondContact NH1-OE2 2.91Å; R12-E62 IonicContact NH2-OE1 2.72Å; R12-E62 IonicContact NH2-OE2 3.66Å; R12-E62 PolarHBondContact NH2-OE2 3.28Å; D60-E62 PolarHBondContact O-N 2.91Å; E62-G66 PolarHBondContact O-N 3.04Å
63A82.3Confident82.9Confident4 Ų469.7 Ų69.73%0.03336%0.359CS..Hα-helixtrans-58.5-50171.700000111.5K16 I59 D60 Q65 G66 I67K16-A63 HydrophobicContact CD-CB 3.48Å; K16-A63 VanDerWaalsContact CD-CB 3.48Å; K16-A63 VanDerWaalsContact NZ-CB 3.29Å; I59-A63 HydrophobicContact CG2-CB 3.23Å; D60-A63 WeakPolarHBondContact O-CB 3.36Å; D60-A63 PolarHBondContact O-N 2.77Å; D60-A63 VanDerWaalsContact OD1-CA 3.32Å; D60-A63 WeakPolarHBondContact OD1-CA 3.4Å; D60-A63 WeakPolarHBondContact OD1-CB 3.47Å; D60-A63 PolarHBondContact OD1-N 2.96Å; A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 2.81Å; A63-G66 CarbonylContact O-C 3.58Å; A63-G66 WeakPolarHBondContact O-CA 3.22Å; A63-G66 PolarHBondContact O-N 3.25Å; A63-I67 HydrophobicContact CB-CD1 4.4Å; A63-I67 WeakPolarHBondContact O-CB 3.44Å; A63-I67 VanDerWaalsContact O-CG1 3.23Å; A63-I67 WeakPolarHBondContact O-CG1 3.41Å; A63-I67 PolarHBondContact O-N 2.98Å
64V84.4Confident83.6Confident3 Ų363.9 Ų63.92%0.01833%0.334CS..Hα-helixtrans-59.3-46.2-173.3-179.50000108.8I48 A49 L52 I59 D60 H61 G66 I67 T68I48-V64 HydrophobicContact CB-CG1 4.19Å; I48-V64 HydrophobicContact CG2-CG1 3.79Å; A49-V64 HydrophobicContact CB-CG1 4.35Å; A49-V64 HydrophobicContact CB-CG2 4.1Å; L52-V64 HydrophobicContact CD1-CG2 3.87Å; I59-V64 HydrophobicContact CB-CG2 4.43Å; I59-V64 HydrophobicContact CG2-CG2 3.61Å; D60-V64 PolarHBondContact O-N 3.31Å; H61-V64 PolarHBondContact O-N 3.42Å; V64-G66 PolarHBondContact O-N 3.1Å; V64-I67 PolarHBondContact O-N 3.47Å; V64-T68 WeakPolarHBondContact O-CB 3.45Å; V64-T68 PolarHBondContact O-N 3.31Å; V64-T68 PolarHBondContact O-OG1 3.04Å
65Q84.4Confident84.5Confident99 Ų9954.8 Ų54.846%0.46330%0.299SS..Hα-helixtrans-60.3-43.1174.3-69.4-171.2-9.700112.7H61 A63 T68 R69H61-Q65 PolarHBondContact NE2-NE2 3.17Å; H61-Q65 WeakPolarHBondContact O-CG 3.35Å; H61-Q65 PolarHBondContact O-N 3Å; H61-Q65 VanDerWaalsContact O-N 3.1Å; A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 2.81Å; Q65-T68 PolarHBondContact O-N 3.05Å; Q65-R69 WeakPolarHBondContact O-CB 3.26Å; Q65-R69 PolarHBondContact O-N 2.83Å
66G86.9Confident85.3Confident31 Ų3155 Ų5532%0.3229%0.292SS..Hα-helixtrans-61.1-45.4177.100000112.9E62 A63 V64 F70E62-G66 PolarHBondContact O-N 3.04Å; A63-G66 CarbonylContact O-C 3.58Å; A63-G66 WeakPolarHBondContact O-CA 3.22Å; A63-G66 PolarHBondContact O-N 3.25Å; V64-G66 PolarHBondContact O-N 3.1Å; G66-F70 VanDerWaalsContact O-CB 3.28Å; G66-F70 WeakPolarHBondContact O-CB 3.39Å; G66-F70 PolarHBondContact O-N 3.49Å
67I87.8Confident86.4Confident5 Ų554.8 Ų54.83%0.02628%0.281CS..Hα-helixtrans-64.1-50.7177-65.5167.1000110K16 I17 L20 T28 A63 V64 R69 F70 L71K16-I67 HydrophobicContact CB-CD1 4.01Å; K16-I67 HydrophobicContact CB-CG1 4.31Å; I17-I67 HydrophobicContact CD1-CG2 4.33Å; I17-I67 HydrophobicContact CG1-CB 4.39Å; I17-I67 HydrophobicContact CG1-CG1 4.01Å; I17-I67 HydrophobicContact CG1-CG2 3.81Å; L20-I67 HydrophobicContact CD1-CD1 4.16Å; T28-I67 HydrophobicContact CG2-CG2 4.49Å; A63-I67 HydrophobicContact CB-CD1 4.4Å; A63-I67 WeakPolarHBondContact O-CB 3.44Å; A63-I67 VanDerWaalsContact O-CG1 3.23Å; A63-I67 WeakPolarHBondContact O-CG1 3.41Å; A63-I67 PolarHBondContact O-N 2.98Å; V64-I67 PolarHBondContact O-N 3.47Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.48Å; I67-F70 PolarHBondContact O-N 3.17Å; I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 WeakPolarHBondContact O-CG 3.21Å; I67-L71 PolarHBondContact O-N 3.4Å
68T88.9Confident87.2Confident8 Ų853 Ų535%0.04927%0.27CS..Hα-helixtrans-57.8-47.5178.7-62.50000110.9I32 V43 V64 Q65 L72I32-T68 HydrophobicContact CD1-CG2 4.17Å; I32-T68 HydrophobicContact CG1-CG2 4.34Å; V43-T68 HydrophobicContact CB-CG2 4.27Å; V43-T68 HydrophobicContact CG1-CG2 3.66Å; V64-T68 WeakPolarHBondContact O-CB 3.45Å; V64-T68 PolarHBondContact O-N 3.31Å; V64-T68 PolarHBondContact O-OG1 3.04Å; Q65-T68 PolarHBondContact O-N 3.05Å; T68-L72 WeakPolarHBondContact O-CB 3.1Å; T68-L72 PolarHBondContact O-N 3.24Å
69R90.4Very high88.2Confident181 Ų18146.5 Ų46.568%0.68323%0.231SC*.Hα-helixtrans-62.5-44.8178.9-178.2174.6179.1160.7-0.5111.5Q65 I67 L73Q65-R69 WeakPolarHBondContact O-CB 3.26Å; Q65-R69 PolarHBondContact O-N 2.83Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.48Å; R69-L73 HydrophobicContact CG-CD1 3.96Å; R69-L73 HydrophobicContact CG-CG 4.46Å; R69-L73 WeakPolarHBondContact O-CB 3.23Å; R69-L73 VanDerWaalsContact O-CG 3.24Å; R69-L73 WeakPolarHBondContact O-CG 3.45Å; R69-L73 PolarHBondContact O-N 3.11Å
70F91.3Very high88.9Confident33 Ų3351.6 Ų51.615%0.14525%0.251CS..Hα-helixtrans-60.8-54.4178.9177.8-93.3000111.3I10 A13 V14 I17 G66 I67 L72 L73 T74 L92 W99I10-F70 HydrophobicContact CG2-CE2 3.94Å; A13-F70 HydrophobicContact CB-CB 4.3Å; A13-F70 HydrophobicContact CB-CG 4.41Å; V14-F70 HydrophobicContact CG2-CZ 4.33Å; I17-F70 HydrophobicContact CD1-CD1 3.54Å; I17-F70 HydrophobicContact CD1-CE1 4Å; I17-F70 HydrophobicContact CD1-CG 4.4Å; G66-F70 VanDerWaalsContact O-CB 3.28Å; G66-F70 WeakPolarHBondContact O-CB 3.39Å; G66-F70 PolarHBondContact O-N 3.49Å; I67-F70 PolarHBondContact O-N 3.17Å; F70-L72 VanDerWaalsContact C-N 3.35Å; F70-L72 PolarHBondContact O-N 2.8Å; F70-L73 PolarHBondContact O-N 3.24Å; F70-T74 WeakPolarHBondContact O-CB 3.45Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 3.34Å; F70-L92 HydrophobicContact CE1-CD2 4.25Å; F70-L92 HydrophobicContact CZ-CD2 3.97Å; F70-W99 AromaticContact CE1-CH2 4Å; F70-W99 HydrophobicContact CE1-CH2 4Å; F70-W99 AromaticContact CE1-CZ2 3.69Å; F70-W99 HydrophobicContact CE1-CZ2 3.69Å; F70-W99 AromaticContact CZ-CZ2 3.94Å; F70-W99 HydrophobicContact CZ-CZ2 3.94Å
71L92.3Very high89.4Confident0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-62.2-41.5-179.3-69.4176.1000112I17 L25 T28 I32 I67 L73 T74 F75 L107I17-L71 HydrophobicContact CD1-CD2 4.22Å; I17-L71 HydrophobicContact CD1-CG 4.3Å; L25-L71 HydrophobicContact CD1-CD1 4.11Å; T28-L71 HydrophobicContact CG2-CD1 4.32Å; I32-L71 HydrophobicContact CD1-CB 3.59Å; I32-L71 HydrophobicContact CD1-CD1 4.13Å; I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 WeakPolarHBondContact O-CG 3.21Å; I67-L71 PolarHBondContact O-N 3.4Å; L71-L73 PolarHBondContact O-N 2.9Å; L71-T74 PolarHBondContact O-N 3.12Å; L71-F75 HydrophobicContact CB-CE2 4.28Å; L71-F75 VanDerWaalsContact O-CD2 3.23Å; L71-F75 WeakPolarHBondContact O-CD2 3.39Å; L71-F75 WeakPolarHBondContact O-CG 3.18Å; L71-F75 PolarHBondContact O-N 2.85Å; L71-L107 HydrophobicContact CD2-CD1 4.47Å; L71-L107 HydrophobicContact CD2-CD2 3.83Å
72L92.6Very high89.9Confident29 Ų2952.3 Ų52.315%0.15226%0.259CS..Hα-helixtrans-59-48.3176.1177.167.8000111.8I32 Y35 L36 T68 F70 R76I32-L72 HydrophobicContact CG2-CB 3.99Å; I32-L72 HydrophobicContact CG2-CD1 3.84Å; Y35-L72 HydrophobicContact CD1-CD1 3.73Å; Y35-L72 HydrophobicContact CE1-CD1 3.75Å; L36-L72 HydrophobicContact CD1-CD1 4.16Å; L36-L72 HydrophobicContact CD2-CD1 3.62Å; L36-L72 HydrophobicContact CG-CD1 3.83Å; T68-L72 WeakPolarHBondContact O-CB 3.1Å; T68-L72 PolarHBondContact O-N 3.24Å; F70-L72 VanDerWaalsContact C-N 3.35Å; F70-L72 PolarHBondContact O-N 2.8Å; L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 PolarHBondContact O-N 3.02Å
73L91.6Very high90.4Very high91 Ų9149.1 Ų49.148%0.47624%0.243SC..Hα-helixtrans-65.5-41.8179.3-73.9176.4000111.5R69 F70 L71 S77R69-L73 HydrophobicContact CG-CD1 3.96Å; R69-L73 HydrophobicContact CG-CG 4.46Å; R69-L73 WeakPolarHBondContact O-CB 3.23Å; R69-L73 VanDerWaalsContact O-CG 3.24Å; R69-L73 WeakPolarHBondContact O-CG 3.45Å; R69-L73 PolarHBondContact O-N 3.11Å; F70-L73 PolarHBondContact O-N 3.24Å; L71-L73 PolarHBondContact O-N 2.9Å; L73-S77 WeakPolarHBondContact O-CB 3.46Å; L73-S77 PolarHBondContact O-N 3Å
74T93.5Very high91.1Very high23 Ų2351.2 Ų51.214%0.14126%0.258CS..Hα-helixtrans-58.9-56.3177.2-67.70000111.4F70 L71 R76 S77 A78 L88 L92F70-T74 WeakPolarHBondContact O-CB 3.45Å; F70-T74 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-OG1 3.34Å; L71-T74 PolarHBondContact O-N 3.12Å; T74-R76 PolarHBondContact O-N 2.78Å; T74-S77 PolarHBondContact O-N 3.45Å; T74-A78 WeakPolarHBondContact O-CB 3.49Å; T74-A78 PolarHBondContact O-N 2.94Å; T74-L88 HydrophobicContact CG2-CD1 3.79Å; T74-L92 HydrophobicContact CG2-CD2 3.85Å
75F94.9Very high91.5Very high1 Ų151.6 Ų51.60%0.00426%0.261CS..Hα-helixtrans-65.3-39-179.4-66.7-42.1000112.5I32 L33 L36 L71 S77 A78 G79 L88 L107 W111I32-F75 HydrophobicContact CG2-CD2 4.01Å; L33-F75 HydrophobicContact CD1-CE2 4.4Å; L33-F75 HydrophobicContact CD1-CZ 4.47Å; L33-F75 HydrophobicContact CD2-CB 4.28Å; L33-F75 HydrophobicContact CD2-CD1 4.3Å; L33-F75 HydrophobicContact CD2-CD2 3.9Å; L33-F75 HydrophobicContact CD2-CE2 4.26Å; L33-F75 HydrophobicContact CD2-CG 3.93Å; L33-F75 HydrophobicContact CG-CD2 4.13Å; L33-F75 HydrophobicContact CG-CE2 4.11Å; L36-F75 HydrophobicContact CD1-CB 3.46Å; L36-F75 VanDerWaalsContact CD1-CB 3.46Å; L71-F75 HydrophobicContact CB-CE2 4.28Å; L71-F75 VanDerWaalsContact O-CD2 3.23Å; L71-F75 WeakPolarHBondContact O-CD2 3.39Å; L71-F75 WeakPolarHBondContact O-CG 3.18Å; L71-F75 PolarHBondContact O-N 2.85Å; F75-S77 VanDerWaalsContact C-N 3.32Å; F75-S77 PolarHBondContact O-N 3.36Å; F75-A78 PolarHBondContact O-N 3.49Å; F75-G79 PolarHBondContact O-N 3.26Å; F75-L88 HydrophobicContact CD1-CD2 4.32Å; F75-L88 HydrophobicContact CE1-CD2 4.24Å; F75-L107 HydrophobicContact CE1-CD2 4.22Å; F75-L107 HydrophobicContact CZ-CD2 3.65Å; F75-W111 HydrophobicContact CB-CE3 4.35Å; F75-W111 HydrophobicContact CB-CZ3 3.88Å; F75-W111 HydrophobicContact CD1-CD2 4.43Å; F75-W111 AromaticContact CD1-CE3 3.57Å; F75-W111 HydrophobicContact CD1-CE3 3.57Å; F75-W111 AromaticContact CD1-CZ3 3.99Å; F75-W111 HydrophobicContact CD1-CZ3 3.99Å; F75-W111 HydrophobicContact CE1-CE3 4.24Å; F75-W111 HydrophobicContact CG-CE3 4.26Å; F75-W111 HydrophobicContact CG-CZ3 4.28Å; F75-W111 VanDerWaalsContact O-CH2 3.25Å; F75-W111 WeakPolarHBondContact O-CH2 3.37Å
76R92.6Very high92.1Very high78 Ų7852 Ų5229%0.29427%0.266SS..Hα-helixtrans-62.7-40.4175.4-177.1176.7-81163.5-6111.8L36 L72 T74 K80 Q122L36-R76 HydrophobicContact CD2-CB 4.1Å; L36-R76 HydrophobicContact CD2-CG 4.48Å; L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 PolarHBondContact O-N 3.02Å; T74-R76 PolarHBondContact O-N 2.78Å; R76-K80 WeakPolarHBondContact O-CG 3.33Å; R76-K80 PolarHBondContact O-N 3.44Å; R76-Q122 PolarHBondContact O-NE2 2.85Å
77S92.4Very high92.4Very high57 Ų5755.1 Ų55.140%0.39927%0.272SS..Hα-helixtrans-68.5-43.3176.7-174.70000111.3L73 T74 F75 G79 K80 N81L73-S77 WeakPolarHBondContact O-CB 3.46Å; L73-S77 PolarHBondContact O-N 3Å; T74-S77 PolarHBondContact O-N 3.45Å; F75-S77 VanDerWaalsContact C-N 3.32Å; F75-S77 PolarHBondContact O-N 3.36Å; S77-G79 VanDerWaalsContact C-N 3.31Å; S77-G79 PolarHBondContact O-N 2.76Å; S77-K80 PolarHBondContact O-N 3.08Å; S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.39Å; S77-N81 PolarHBondContact OG-ND2 3.47Å
78A93.5Very high92.7Very high1 Ų155 Ų551%0.00827%0.272CS..Hα-helixtrans-59-42.6177.500000112T74 F75 N82 F83 L88 W111T74-A78 WeakPolarHBondContact O-CB 3.49Å; T74-A78 PolarHBondContact O-N 2.94Å; F75-A78 PolarHBondContact O-N 3.49Å; A78-N82 PolarHBondContact O-N 2.86Å; A78-N82 VanDerWaalsContact O-N 3.17Å; A78-F83 HydrophobicContact CB-CB 4.25Å; A78-F83 HydrophobicContact CB-CD2 4.06Å; A78-F83 PolarHBondContact O-N 3.25Å; A78-L88 HydrophobicContact CB-CD1 3.79Å; A78-W111 HydrophobicContact CB-CD2 4.39Å; A78-W111 HydrophobicContact CB-CH2 3.77Å; A78-W111 HydrophobicContact CB-CZ2 3.43Å; A78-W111 VanDerWaalsContact CB-CZ2 3.43Å; A78-W111 HydrophobicContact CB-CZ3 4.36Å
79G92Very high93Very high3 Ų355.6 Ų55.63%0.03128%0.275CS..Hα-helixtrans-65.7-46.5175.700000112.5F75 S77 N81 N82 W111F75-G79 PolarHBondContact O-N 3.26Å; S77-G79 VanDerWaalsContact C-N 3.31Å; S77-G79 PolarHBondContact O-N 2.76Å; G79-N81 VanDerWaalsContact C-N 3.27Å; G79-N81 PolarHBondContact O-N 3.49Å; G79-N82 PolarHBondContact O-N 3.24Å; G79-N82 VanDerWaalsContact O-N 3.11Å; G79-N82 PolarHBondContact O-OD1 3.03Å; G79-W111 VanDerWaalsContact N-CH2 3.35Å
80K89.9Confident93.2Very high152 Ų15250.2 Ų50.266%0.66127%0.265SS*.Hα-helixtrans-59.2-35.4177.3-78.2-174.5176.1-169.10114R76 S77R76-K80 WeakPolarHBondContact O-CG 3.33Å; R76-K80 PolarHBondContact O-N 3.44Å; S77-K80 PolarHBondContact O-N 3.08Å
81N92.1Very high93.2Very high88 Ų8853.6 Ų53.647%0.47128%0.28SS..THydrogen-bonded Turntrans-94.57.6-178.7-62.4-57.8000113.1S77 G79 F83S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.39Å; S77-N81 PolarHBondContact OG-ND2 3.47Å; G79-N81 VanDerWaalsContact C-N 3.27Å; G79-N81 PolarHBondContact O-N 3.49Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 HydrophobicContact CB-CD1 3.67Å; N81-F83 HydrophobicContact CB-CE1 3.29Å; N81-F83 HydrophobicContact CB-CE2 4.18Å; N81-F83 HydrophobicContact CB-CG 4.27Å; N81-F83 HydrophobicContact CB-CZ 3.57Å; N81-F83 WeakPolarHBondContact O-CD1 3.34Å; N81-F83 PolarHBondContact O-N 2.86Å
82N91.6Very high93.1Very high101 Ų10154.2 Ų54.254%0.5428%0.283SS..THydrogen-bonded Turntrans55.835.3-179.4-65.4-38.9000114.8A78 G79 R119A78-N82 PolarHBondContact O-N 2.86Å; A78-N82 VanDerWaalsContact O-N 3.17Å; G79-N82 PolarHBondContact O-N 3.24Å; G79-N82 VanDerWaalsContact O-N 3.11Å; G79-N82 PolarHBondContact O-OD1 3.03Å; N82-R119 VanDerWaalsContact OD1-CD 3.27Å; N82-R119 WeakPolarHBondContact OD1-CD 3.44Å
83F94Very high93.1Very high44 Ų4457.9 Ų57.919%0.19330%0.299CS..  trans-67.8136.7-179.7-66.1-14.2000112.3A78 N81 E87 K91 W111 R119A78-F83 HydrophobicContact CB-CB 4.25Å; A78-F83 HydrophobicContact CB-CD2 4.06Å; A78-F83 PolarHBondContact O-N 3.25Å; N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 HydrophobicContact CB-CD1 3.67Å; N81-F83 HydrophobicContact CB-CE1 3.29Å; N81-F83 HydrophobicContact CB-CE2 4.18Å; N81-F83 HydrophobicContact CB-CG 4.27Å; N81-F83 HydrophobicContact CB-CZ 3.57Å; N81-F83 WeakPolarHBondContact O-CD1 3.34Å; N81-F83 PolarHBondContact O-N 2.86Å; F83-E87 HydrophobicContact CB-CB 4.19Å; F83-E87 HydrophobicContact CG-CB 4.39Å; F83-K91 HydrophobicContact CE2-CG 4.07Å; F83-K91 HydrophobicContact CZ-CG 4.38Å; F83-W111 PolarHBondContact O-NE1 2.91Å; F83-R119 PolarHBondContact O-NH1 3.49Å
84S95.3Very high92.9Very high48 Ų4860.3 Ų60.334%0.33631%0.309SS..  trans-69.3168.4159.264.20000111.4D86 E87 L88S84-D86 VanDerWaalsContact C-N 3.31Å; S84-D86 PolarHBondContact O-N 3.12Å; S84-E87 WeakPolarHBondContact CB-OE2 3.45Å; S84-E87 PolarHBondContact N-OE2 3.48Å; S84-E87 PolarHBondContact O-N 2.98Å; S84-E87 WeakPolarHBondContact OG-CB 3.46Å; S84-E87 VanDerWaalsContact OG-CD 3.25Å; S84-E87 VanDerWaalsContact OG-CG 3.23Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-N 3.03Å; S84-E87 PolarHBondContact OG-OE2 3.26Å; S84-L88 WeakPolarHBondContact O-CB 3.19Å; S84-L88 PolarHBondContact O-N 2.85Å
85A94.1Very high92.4Very high10 Ų1061.6 Ų61.68%0.08333%0.326CS..Hα-helixtrans-64.4-35.4177.500000112.6L88 V89 H108A85-L88 PolarHBondContact O-N 2.95Å; A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 3.5Å; A85-V89 VanDerWaalsContact O-N 3.1Å; A85-H108 VanDerWaalsContact C-CD2 3.49Å; A85-H108 WeakPolarHBondContact CB-NE2 3.48Å; A85-H108 PolarHBondContact O-CD2 3.26Å
86D95.5Very high91.9Very high107 Ų10761.9 Ų61.957%0.57233%0.328SS*.Hα-helixtrans-70.1-40.6177.6-58.2-47.5000111.8S84 V89 S90 H108S84-D86 VanDerWaalsContact C-N 3.31Å; S84-D86 PolarHBondContact O-N 3.12Å; D86-V89 PolarHBondContact O-N 3.18Å; D86-S90 WeakPolarHBondContact O-CB 3.46Å; D86-S90 PolarHBondContact O-N 3.02Å; D86-S90 PolarHBondContact O-OG 3.03Å; D86-H108 IonicContact OD1-CD2 2.99Å; D86-H108 IonicContact OD1-CE1 3.87Å; D86-H108 IonicContact OD1-NE2 3.9Å; D86-H108 PolarHBondContact OD1-NE2 3.44Å
87E94.3Very high91.6Very high97 Ų9765.3 Ų65.345%0.45335%0.352SS..Hα-helixtrans-65.8-38.9174.7-72165.8138.400111.8F83 S84 S90 K91F83-E87 HydrophobicContact CB-CB 4.19Å; F83-E87 HydrophobicContact CG-CB 4.39Å; S84-E87 WeakPolarHBondContact CB-OE2 3.45Å; S84-E87 PolarHBondContact N-OE2 3.48Å; S84-E87 PolarHBondContact O-N 2.98Å; S84-E87 WeakPolarHBondContact OG-CB 3.46Å; S84-E87 VanDerWaalsContact OG-CD 3.25Å; S84-E87 VanDerWaalsContact OG-CG 3.23Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-N 3.03Å; S84-E87 PolarHBondContact OG-OE2 3.26Å; E87-S90 PolarHBondContact O-N 2.91Å; E87-K91 WeakPolarHBondContact O-CB 3.33Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.41Å
88L94.3Very high91.4Very high4 Ų467 Ų672%0.02135%0.353CS..Hα-helixtrans-59.7-49.9175.1177.961.3000111.3T74 F75 A78 S84 A85 K91 L92 W111T74-L88 HydrophobicContact CG2-CD1 3.79Å; F75-L88 HydrophobicContact CD1-CD2 4.32Å; F75-L88 HydrophobicContact CE1-CD2 4.24Å; A78-L88 HydrophobicContact CB-CD1 3.79Å; S84-L88 WeakPolarHBondContact O-CB 3.19Å; S84-L88 PolarHBondContact O-N 2.85Å; A85-L88 PolarHBondContact O-N 2.95Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.49Å; L88-L92 HydrophobicContact CG-CD1 4.25Å; L88-L92 WeakPolarHBondContact O-CG 3.25Å; L88-L92 PolarHBondContact O-N 3.05Å; L88-W111 HydrophobicContact CD2-CB 3.57Å; L88-W111 HydrophobicContact CD2-CD2 3.91Å; L88-W111 HydrophobicContact CD2-CG 3.44Å; L88-W111 VanDerWaalsContact CD2-CG 3.44Å
89V94.8Very high91.2Very high20 Ų2068.3 Ų68.312%0.12136%0.357CS..Hα-helixtrans-61.5-46.6178.6169.20000110.8A85 D86 K91 L92 E93 L104 H108A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 3.5Å; A85-V89 VanDerWaalsContact O-N 3.1Å; D86-V89 PolarHBondContact O-N 3.18Å; V89-K91 PolarHBondContact O-N 3.42Å; V89-L92 WeakPolarHBondContact O-CB 3.3Å; V89-L92 PolarHBondContact O-N 3.42Å; V89-E93 HydrophobicContact CG1-CG 4.37Å; V89-E93 WeakPolarHBondContact O-CG 3.46Å; V89-E93 PolarHBondContact O-N 3.25Å; V89-L104 HydrophobicContact CG1-CB 4.35Å; V89-L104 HydrophobicContact CG1-CD1 4.34Å; V89-L104 HydrophobicContact CG1-CD2 4.3Å; V89-H108 HydrophobicContact CG2-CB 3.78Å
90S93.6Very high91.2Very high67 Ų6770 Ų7047%0.46937%0.369SS..Hα-helixtrans-57.5-39.9178.9-57.80000111.8D86 E87 E93 E94D86-S90 WeakPolarHBondContact O-CB 3.46Å; D86-S90 PolarHBondContact O-N 3.02Å; D86-S90 PolarHBondContact O-OG 3.03Å; E87-S90 PolarHBondContact O-N 2.91Å; S90-E93 PolarHBondContact O-N 3.33Å; S90-E94 PolarHBondContact O-N 2.83Å
91K91.9Very high91.2Very high105 Ų10571.4 Ų71.446%0.45738%0.375SS..Hα-helixtrans-70.3-33.4176.6-73.9-73.7159.5-158.50113.3F83 E87 L88 V89 E94 G95F83-K91 HydrophobicContact CE2-CG 4.07Å; F83-K91 HydrophobicContact CZ-CG 4.38Å; E87-K91 WeakPolarHBondContact O-CB 3.33Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.41Å; L88-K91 PolarHBondContact O-N 3.4Å; V89-K91 PolarHBondContact O-N 3.42Å; K91-E94 IonicContact NZ-OE2 3.87Å; K91-E94 PolarHBondContact NZ-OE2 3.02Å; K91-G95 PolarHBondContact O-N 3.46Å
92L91.2Very high91.1Very high12 Ų1269.7 Ų69.76%0.06337%0.373CS..Hα-helixtrans-68.8-40.4174.9-71.8173.2000111.8F70 T74 L88 V89 G95 S96 W99 L104 L107F70-L92 HydrophobicContact CE1-CD2 4.25Å; F70-L92 HydrophobicContact CZ-CD2 3.97Å; T74-L92 HydrophobicContact CG2-CD2 3.85Å; L88-L92 HydrophobicContact CD1-CD1 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.49Å; L88-L92 HydrophobicContact CG-CD1 4.25Å; L88-L92 WeakPolarHBondContact O-CG 3.25Å; L88-L92 PolarHBondContact O-N 3.05Å; V89-L92 WeakPolarHBondContact O-CB 3.3Å; V89-L92 PolarHBondContact O-N 3.42Å; L92-G95 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-N 3.02Å; L92-S96 VanDerWaalsContact O-N 3.12Å; L92-W99 HydrophobicContact CB-CZ2 4.46Å; L92-W99 HydrophobicContact CD1-CZ2 4.45Å; L92-W99 HydrophobicContact CD2-CZ2 3.87Å; L92-W99 VanDerWaalsContact O-CD1 3.22Å; L92-W99 PolarHBondContact O-NE1 2.99Å; L92-W99 VanDerWaalsContact O-NE1 3.1Å; L92-L104 HydrophobicContact CB-CD2 4.03Å; L92-L104 HydrophobicContact CD1-CD2 4.25Å; L92-L107 HydrophobicContact CD1-CD1 3.77Å
93E91.2Very high91.1Very high106 Ų10665.1 Ų65.150%0.49535%0.349SS..Hα-helixtrans-67.5-37.5175.9-69.8-179.7144.200112.2V89 S90 G95 S96 L104V89-E93 HydrophobicContact CG1-CG 4.37Å; V89-E93 WeakPolarHBondContact O-CG 3.46Å; V89-E93 PolarHBondContact O-N 3.25Å; S90-E93 PolarHBondContact O-N 3.33Å; E93-G95 VanDerWaalsContact C-N 3.27Å; E93-G95 PolarHBondContact O-N 2.83Å; E93-S96 CarbonylContact O-C 3.56Å; E93-S96 PolarHBondContact O-N 3.12Å; E93-S96 VanDerWaalsContact O-O 3.13Å; E93-L104 HydrophobicContact CG-CD1 3.66Å; E93-L104 HydrophobicContact CG-CD2 4.48Å; E93-L104 WeakPolarHBondContact OE1-CD1 3.4Å
94E88.6Confident91Very high143 Ų14363.6 Ų63.667%0.66834%0.343SS*.Hα-helixtrans-61.9-36.4172.1-172.4-179.2-175.400111.6S90 K91S90-E94 PolarHBondContact O-N 2.83Å; K91-E94 IonicContact NZ-OE2 3.87Å; K91-E94 PolarHBondContact NZ-OE2 3.02Å
95G82Confident91Very high49 Ų4966.5 Ų66.551%0.50535%0.351SS..Hα-helixtrans-79.1-24.2-178.200000115.2K91 L92 E93K91-G95 PolarHBondContact O-N 3.46Å; L92-G95 PolarHBondContact O-N 3.32Å; E93-G95 VanDerWaalsContact C-N 3.27Å; E93-G95 PolarHBondContact O-N 2.83Å
96S85.3Confident90.9Very high7 Ų767 Ų675%0.04935%0.353CS..  trans-157.8135.6176.6-175.20000111.8N11 L92 E93 K98 W99N11-S96 WeakPolarHBondContact OD1-CB 3.37Å; N11-S96 PolarHBondContact OD1-OG 3.42Å; L92-S96 PolarHBondContact O-N 3.02Å; L92-S96 VanDerWaalsContact O-N 3.12Å; E93-S96 CarbonylContact O-C 3.56Å; E93-S96 PolarHBondContact O-N 3.12Å; E93-S96 VanDerWaalsContact O-O 3.13Å; S96-K98 VanDerWaalsContact C-N 3.27Å; S96-K98 PolarHBondContact O-N 3.41Å; S96-K98 PolarHBondContact OG-N 2.93Å; S96-W99 VanDerWaalsContact O-CD1 3.32Å
97N85Confident90.8Very high150 Ų15062 Ų6280%0.80233%0.326SS*.THydrogen-bonded Turntrans-84.42.4173.465.9-15.2000113.8
98K88.4Confident90.9Very high94 Ų9459.3 Ų59.341%0.40931%0.314SS..THydrogen-bonded Turntrans-93.7-1-174.9-57.2-160.1-173.1-175.70114.3V14 D15 S96 S100V14-K98 HydrophobicContact CG1-CB 4.08Å; D15-K98 WeakPolarHBondContact OD1-CD 3.49Å; D15-K98 IonicContact OD1-NZ 2.72Å; D15-K98 PolarHBondContact OD1-NZ 3.03Å; D15-K98 IonicContact OD2-NZ 3.96Å; D15-K98 PolarHBondContact OD2-NZ 3.38Å; S96-K98 VanDerWaalsContact C-N 3.27Å; S96-K98 PolarHBondContact O-N 3.41Å; S96-K98 PolarHBondContact OG-N 2.93Å; K98-S100 PolarHBondContact O-N 2.97Å
99W90Very high91Very high27 Ų2761.8 Ų61.810%0.10233%0.329CS..  trans-62.8131.5-178.6-80.6108.4000112.3V14 I17 F70 L92 S96 L104 L107V14-W99 HydrophobicContact CG1-CD2 3.71Å; V14-W99 HydrophobicContact CG1-CE3 4.24Å; V14-W99 HydrophobicContact CG1-CG 3.91Å; V14-W99 HydrophobicContact CG1-CZ2 4.23Å; V14-W99 HydrophobicContact CG2-CH2 4.5Å; V14-W99 HydrophobicContact CG2-CZ2 3.69Å; I17-W99 HydrophobicContact CB-CH2 4.49Å; I17-W99 HydrophobicContact CB-CZ3 4.41Å; I17-W99 HydrophobicContact CD1-CH2 4.08Å; I17-W99 HydrophobicContact CG2-CH2 3.89Å; I17-W99 HydrophobicContact CG2-CZ3 3.55Å; F70-W99 AromaticContact CE1-CH2 4Å; F70-W99 HydrophobicContact CE1-CH2 4Å; F70-W99 AromaticContact CE1-CZ2 3.69Å; F70-W99 HydrophobicContact CE1-CZ2 3.69Å; F70-W99 AromaticContact CZ-CZ2 3.94Å; F70-W99 HydrophobicContact CZ-CZ2 3.94Å; L92-W99 HydrophobicContact CB-CZ2 4.46Å; L92-W99 HydrophobicContact CD1-CZ2 4.45Å; L92-W99 HydrophobicContact CD2-CZ2 3.87Å; L92-W99 VanDerWaalsContact O-CD1 3.22Å; L92-W99 PolarHBondContact O-NE1 2.99Å; L92-W99 VanDerWaalsContact O-NE1 3.1Å; S96-W99 VanDerWaalsContact O-CD1 3.32Å; W99-L104 HydrophobicContact CB-CD1 3.72Å; W99-L104 HydrophobicContact CB-CD2 3.93Å; W99-L104 HydrophobicContact CB-CG 3.77Å; W99-L104 HydrophobicContact CD2-CD2 3.74Å; W99-L104 HydrophobicContact CD2-CG 4.33Å; W99-L104 HydrophobicContact CE3-CD2 3.91Å; W99-L104 HydrophobicContact CE3-CG 4.27Å; W99-L104 HydrophobicContact CG-CD1 4.41Å; W99-L104 HydrophobicContact CG-CD2 3.74Å; W99-L104 HydrophobicContact CG-CG 4.14Å; W99-L107 HydrophobicContact CH2-CD1 3.62Å; W99-L107 HydrophobicContact CZ3-CD1 3.63Å
100S91.4Very high91Very high40 Ų4061.3 Ų61.328%0.2833%0.326SS..  trans-78.4143.2167.993.10000110.2C18 K98 A102 S103 L104C18-S100 PolarHBondContact SG-N 3.04Å; K98-S100 PolarHBondContact O-N 2.97Å; S100-A102 PolarHBondContact O-N 3.36Å; S100-S103 PolarHBondContact O-N 2.95Å; S100-S103 WeakPolarHBondContact OG-CB 3.31Å; S100-S103 PolarHBondContact OG-N 3.42Å; S100-S103 PolarHBondContact OG-OG 3.46Å; S100-L104 PolarHBondContact O-N 3.46Å
101K90.3Very high91.1Very high180 Ų18058.2 Ų58.278%0.78330%0.304SS*.Hα-helixtrans-58.7-34.4176.5-170.1173.7-177.1175.40112.4Q105K101-Q105 WeakPolarHBondContact O-CB 3.43Å; K101-Q105 PolarHBondContact O-N 3.25Å
102A90.3Very high91.3Very high53 Ų5357.2 Ų57.244%0.43831%0.31SS..Hα-helixtrans-67.2-42.5177.900000112.1S100 Q105 T106S100-A102 PolarHBondContact O-N 3.36Å; A102-Q105 PolarHBondContact O-N 3.29Å; A102-T106 PolarHBondContact O-N 3.17Å; A102-T106 PolarHBondContact O-OG1 3.3Å
103S91.3Very high91.5Very high5 Ų562.6 Ų62.64%0.03534%0.335CS..Hα-helixtrans-65.9-44.5177-55.10000111.3S100 Q105 T106 L107S100-S103 PolarHBondContact O-N 2.95Å; S100-S103 WeakPolarHBondContact OG-CB 3.31Å; S100-S103 PolarHBondContact OG-N 3.42Å; S100-S103 PolarHBondContact OG-OG 3.46Å; S103-Q105 PolarHBondContact O-N 3.39Å; S103-T106 WeakPolarHBondContact O-CB 3.45Å; S103-T106 PolarHBondContact O-N 3.1Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 2.99Å
104L93.3Very high91.7Very high11 Ų1159.1 Ų59.16%0.05832%0.319CS..Hα-helixtrans-61.4-43.7176.1-69.5174000112V89 L92 E93 W99 S100 T106 L107 H108V89-L104 HydrophobicContact CG1-CB 4.35Å; V89-L104 HydrophobicContact CG1-CD1 4.34Å; V89-L104 HydrophobicContact CG1-CD2 4.3Å; L92-L104 HydrophobicContact CB-CD2 4.03Å; L92-L104 HydrophobicContact CD1-CD2 4.25Å; E93-L104 HydrophobicContact CG-CD1 3.66Å; E93-L104 HydrophobicContact CG-CD2 4.48Å; E93-L104 WeakPolarHBondContact OE1-CD1 3.4Å; W99-L104 HydrophobicContact CB-CD1 3.72Å; W99-L104 HydrophobicContact CB-CD2 3.93Å; W99-L104 HydrophobicContact CB-CG 3.77Å; W99-L104 HydrophobicContact CD2-CD2 3.74Å; W99-L104 HydrophobicContact CD2-CG 4.33Å; W99-L104 HydrophobicContact CE3-CD2 3.91Å; W99-L104 HydrophobicContact CE3-CG 4.27Å; W99-L104 HydrophobicContact CG-CD1 4.41Å; W99-L104 HydrophobicContact CG-CD2 3.74Å; W99-L104 HydrophobicContact CG-CG 4.14Å; S100-L104 PolarHBondContact O-N 3.46Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.45Å; L104-L107 PolarHBondContact O-N 3.43Å; L104-H108 WeakPolarHBondContact O-CB 3.38Å; L104-H108 PolarHBondContact O-N 2.87Å
105Q93.9Very high91.9Very high110 Ų11052.3 Ų52.351%0.51429%0.287SS..Hα-helixtrans-62.5-38.2177.3-170.462.326.400112.1K101 A102 S103 H108 T109K101-Q105 WeakPolarHBondContact O-CB 3.43Å; K101-Q105 PolarHBondContact O-N 3.25Å; A102-Q105 PolarHBondContact O-N 3.29Å; S103-Q105 PolarHBondContact O-N 3.39Å; Q105-H108 PolarHBondContact O-N 3Å; Q105-T109 WeakPolarHBondContact O-CB 3.46Å; Q105-T109 PolarHBondContact O-N 3.26Å; Q105-T109 PolarHBondContact O-OG1 2.9Å
106T93.2Very high92.4Very high21 Ų2152.6 Ų52.613%0.12929%0.285CS..Hα-helixtrans-63.2-47.4176.4-56.70000110.7L25 T26 A102 S103 L104 T109 L110L25-T106 HydrophobicContact CD2-CG2 4.24Å; L25-T106 HydrophobicContact CG-CG2 4.24Å; T26-T106 WeakPolarHBondContact OG1-CG2 3.32Å; A102-T106 PolarHBondContact O-N 3.17Å; A102-T106 PolarHBondContact O-OG1 3.3Å; S103-T106 WeakPolarHBondContact O-CB 3.45Å; S103-T106 PolarHBondContact O-N 3.1Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.45Å; T106-T109 PolarHBondContact O-N 3.43Å; T106-L110 HydrophobicContact CG2-CD1 4.12Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 3.23Å; T106-L110 VanDerWaalsContact O-N 3.08Å
107L93.5Very high92.8Very high1 Ų155.3 Ų55.31%0.00530%0.303CS..Hα-helixtrans-65.9-38.4178.4-65.9175.2000112.5L71 F75 L92 W99 S103 L104 W111L71-L107 HydrophobicContact CD2-CD1 4.47Å; L71-L107 HydrophobicContact CD2-CD2 3.83Å; F75-L107 HydrophobicContact CE1-CD2 4.22Å; F75-L107 HydrophobicContact CZ-CD2 3.65Å; L92-L107 HydrophobicContact CD1-CD1 3.77Å; W99-L107 HydrophobicContact CH2-CD1 3.62Å; W99-L107 HydrophobicContact CZ3-CD1 3.63Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 2.99Å; L104-L107 PolarHBondContact O-N 3.43Å; L107-W111 VanDerWaalsContact O-CB 3.31Å; L107-W111 WeakPolarHBondContact O-CB 3.46Å; L107-W111 PolarHBondContact O-N 3.47Å
108H96.4Very high93.2Very high40 Ų4048.1 Ų48.119%0.18527%0.265CS..Hα-helixtrans-58.7-52.2174.8-177.1-79.5000111.3A85 D86 V89 L104 Q105 L110 W111 S112A85-H108 VanDerWaalsContact C-CD2 3.49Å; A85-H108 WeakPolarHBondContact CB-NE2 3.48Å; A85-H108 PolarHBondContact O-CD2 3.26Å; D86-H108 IonicContact OD1-CD2 2.99Å; D86-H108 IonicContact OD1-CE1 3.87Å; D86-H108 IonicContact OD1-NE2 3.9Å; D86-H108 PolarHBondContact OD1-NE2 3.44Å; V89-H108 HydrophobicContact CG2-CB 3.78Å; L104-H108 WeakPolarHBondContact O-CB 3.38Å; L104-H108 PolarHBondContact O-N 2.87Å; Q105-H108 PolarHBondContact O-N 3Å; H108-L110 PolarHBondContact O-N 2.72Å; H108-W111 PolarHBondContact O-N 3.37Å; H108-S112 WeakPolarHBondContact O-CB 3.3Å; H108-S112 PolarHBondContact O-N 2.96Å
109T95.6Very high93.4Very high57 Ų5746.9 Ų46.935%0.3526%0.258SS..Hα-helixtrans-60.4-49-177.9-50.90000110.6Q105 T106 W111 S112 E113Q105-T109 WeakPolarHBondContact O-CB 3.46Å; Q105-T109 PolarHBondContact O-N 3.26Å; Q105-T109 PolarHBondContact O-OG1 2.9Å; T106-T109 PolarHBondContact O-N 3.43Å; T109-W111 PolarHBondContact O-N 3.36Å; T109-S112 WeakPolarHBondContact O-CB 3.41Å; T109-S112 PolarHBondContact O-N 2.78Å; T109-E113 WeakPolarHBondContact O-CG 3.49Å; T109-E113 PolarHBondContact O-N 3.23Å; T109-E113 VanDerWaalsContact O-N 3.08Å
110L94.7Very high93.4Very high9 Ų947.9 Ų47.95%0.04727%0.272CS..Hα-helixtrans-62.3-41.1178.7-75172.1000113.1T26 S29 L33 T106 H108 E113 H114T26-L110 HydrophobicContact CG2-CD1 4.31Å; T26-L110 HydrophobicContact CG2-CD2 4.15Å; S29-L110 VanDerWaalsContact CB-CD1 3.48Å; L33-L110 HydrophobicContact CD1-CB 4.01Å; T106-L110 HydrophobicContact CG2-CD1 4.12Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 3.23Å; T106-L110 VanDerWaalsContact O-N 3.08Å; H108-L110 PolarHBondContact O-N 2.72Å; L110-E113 PolarHBondContact O-N 2.8Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-CD2 3.42Å; L110-H114 PolarHBondContact O-N 2.83Å
111W96.3Very high93.3Very high3 Ų348.5 Ų48.51%0.01127%0.27CS..Hα-helixtrans-70.6-34.6177.9-172.2-107000112.4L33 F75 A78 G79 F83 L88 L107 H108 T109 E113 G115 V118L33-W111 HydrophobicContact CD2-CE3 4.22Å; L33-W111 HydrophobicContact CD2-CZ3 4.23Å; F75-W111 HydrophobicContact CB-CE3 4.35Å; F75-W111 HydrophobicContact CB-CZ3 3.88Å; F75-W111 HydrophobicContact CD1-CD2 4.43Å; F75-W111 AromaticContact CD1-CE3 3.57Å; F75-W111 HydrophobicContact CD1-CE3 3.57Å; F75-W111 AromaticContact CD1-CZ3 3.99Å; F75-W111 HydrophobicContact CD1-CZ3 3.99Å; F75-W111 HydrophobicContact CE1-CE3 4.24Å; F75-W111 HydrophobicContact CG-CE3 4.26Å; F75-W111 HydrophobicContact CG-CZ3 4.28Å; F75-W111 VanDerWaalsContact O-CH2 3.25Å; F75-W111 WeakPolarHBondContact O-CH2 3.37Å; A78-W111 HydrophobicContact CB-CD2 4.39Å; A78-W111 HydrophobicContact CB-CH2 3.77Å; A78-W111 HydrophobicContact CB-CZ2 3.43Å; A78-W111 VanDerWaalsContact CB-CZ2 3.43Å; A78-W111 HydrophobicContact CB-CZ3 4.36Å; G79-W111 VanDerWaalsContact N-CH2 3.35Å; F83-W111 PolarHBondContact O-NE1 2.91Å; L88-W111 HydrophobicContact CD2-CB 3.57Å; L88-W111 HydrophobicContact CD2-CD2 3.91Å; L88-W111 HydrophobicContact CD2-CG 3.44Å; L88-W111 VanDerWaalsContact CD2-CG 3.44Å; L107-W111 VanDerWaalsContact O-CB 3.31Å; L107-W111 WeakPolarHBondContact O-CB 3.46Å; L107-W111 PolarHBondContact O-N 3.47Å; H108-W111 PolarHBondContact O-N 3.37Å; T109-W111 PolarHBondContact O-N 3.36Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 3.39Å; W111-G115 WeakPolarHBondContact O-CA 3.47Å; W111-G115 PolarHBondContact O-N 3.02Å; W111-V118 HydrophobicContact CH2-CB 4.16Å; W111-V118 HydrophobicContact CH2-CG1 4Å; W111-V118 HydrophobicContact CZ3-CB 4.17Å; W111-V118 HydrophobicContact CZ3-CG1 4.16Å; W111-V118 HydrophobicContact CZ3-CG2 4.25Å
112S95.4Very high93.3Very high84 Ų8441.1 Ų41.159%0.58724%0.239SC*.Hα-helixtrans-59.7-43.1173.2-170.40000111.3H108 T109H108-S112 WeakPolarHBondContact O-CB 3.3Å; H108-S112 PolarHBondContact O-N 2.96Å; T109-S112 WeakPolarHBondContact O-CB 3.41Å; T109-S112 PolarHBondContact O-N 2.78Å
113E95.1Very high93.1Very high125 Ų12543.8 Ų43.858%0.58424%0.242SC*.Hα-helixtrans-74.2-42.2-179.8-69.5174.5-175.800113T109 L110 W111T109-E113 WeakPolarHBondContact O-CG 3.49Å; T109-E113 PolarHBondContact O-N 3.23Å; T109-E113 VanDerWaalsContact O-N 3.08Å; L110-E113 PolarHBondContact O-N 2.8Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 3.39Å
114H95.1Very high92.7Very high33 Ų3346.9 Ų46.915%0.15326%0.26CS..Hα-helixtrans-107.3-16.4-168-68.4-57.1000115.1Q30 L33 Q37 L110 A116 S117 V118Q30-H114 PolarHBondContact NE2-CE1 3.37Å; Q30-H114 VanDerWaalsContact NE2-CE1 3.32Å; Q30-H114 PolarHBondContact NE2-NE2 3.33Å; Q30-H114 PolarHBondContact OE1-NE2 3.2Å; L33-H114 HydrophobicContact CB-CB 4.43Å; L33-H114 HydrophobicContact CD1-CB 4.02Å; L33-H114 HydrophobicContact CD2-CB 4.16Å; L33-H114 HydrophobicContact CG-CB 4.43Å; Q37-H114 PolarHBondContact NE2-ND1 3.28Å; Q37-H114 VanDerWaalsContact NE2-ND1 3.12Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-CD2 3.42Å; L110-H114 PolarHBondContact O-N 2.83Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.9Å; H114-S117 PolarHBondContact O-N 3.09Å; H114-S117 VanDerWaalsContact O-N 3.09Å; H114-V118 PolarHBondContact O-N 3.28Å
115G92.8Very high92.1Very high0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-60.2-37.6-171.600000113.3W111 S117 V118 R119W111-G115 WeakPolarHBondContact O-CA 3.47Å; W111-G115 PolarHBondContact O-N 3.02Å; G115-S117 PolarHBondContact O-N 3.48Å; G115-V118 PolarHBondContact O-N 3.47Å; G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.08Å
116A93.3Very high91.4Very high55 Ų5548.8 Ų48.846%0.45528%0.276SS..Hα-helixtrans-62.8-41.1176.100000112.7H114 R119 A120H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.9Å; A116-R119 PolarHBondContact O-N 3.39Å; A116-A120 PolarHBondContact O-N 3.06Å
117S93.1Very high90.4Very high63 Ų6354.3 Ų54.344%0.44130%0.302SS..Hα-helixtrans-70.2-38.4178.6-62.70000111.9H114 G115 Q121H114-S117 PolarHBondContact O-N 3.09Å; H114-S117 VanDerWaalsContact O-N 3.09Å; G115-S117 PolarHBondContact O-N 3.48Å; S117-Q121 WeakPolarHBondContact O-CB 3.43Å; S117-Q121 PolarHBondContact O-N 3.18Å
118V93.4Very high89.1Confident0 Ų059.1 Ų59.10%033%0.327CS..Hα-helixtrans-61.9-45174.3172.70000110.5L33 L36 Q37 W111 H114 G115 Q121 Q122L33-V118 HydrophobicContact CD2-CG2 3.92Å; L36-V118 HydrophobicContact CB-CG1 4.1Å; L36-V118 HydrophobicContact CB-CG2 4.01Å; L36-V118 HydrophobicContact CD1-CG1 4.47Å; Q37-V118 HydrophobicContact CG-CG2 3.93Å; W111-V118 HydrophobicContact CH2-CB 4.16Å; W111-V118 HydrophobicContact CH2-CG1 4Å; W111-V118 HydrophobicContact CZ3-CB 4.17Å; W111-V118 HydrophobicContact CZ3-CG1 4.16Å; W111-V118 HydrophobicContact CZ3-CG2 4.25Å; H114-V118 PolarHBondContact O-N 3.28Å; G115-V118 PolarHBondContact O-N 3.47Å; V118-Q121 PolarHBondContact O-N 2.7Å; V118-Q122 HydrophobicContact CG1-CG 4.46Å; V118-Q122 VanDerWaalsContact O-CG 3.3Å; V118-Q122 WeakPolarHBondContact O-CG 3.15Å; V118-Q122 PolarHBondContact O-N 2.92Å
119R92.3Very high87.7Confident67 Ų6761.1 Ų61.125%0.25335%0.346SS..Hα-helixtrans-60.2-51.6176.8-74.2-172.1-60.1-944.9112.2N82 F83 G115 A116 Q121 Q122 E123N82-R119 VanDerWaalsContact OD1-CD 3.27Å; N82-R119 WeakPolarHBondContact OD1-CD 3.44Å; F83-R119 PolarHBondContact O-NH1 3.49Å; G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.08Å; A116-R119 PolarHBondContact O-N 3.39Å; R119-Q121 VanDerWaalsContact C-N 3.26Å; R119-Q121 PolarHBondContact O-N 3.17Å; R119-Q122 PolarHBondContact O-N 3.09Å; R119-E123 WeakPolarHBondContact O-CG 3.26Å; R119-E123 PolarHBondContact O-N 2.9Å
120A90.8Very high86.8Confident48 Ų4863.9 Ų63.940%0.39736%0.357SS..Hα-helixtrans-55.9-43178.500000111.6A116 E123 V124A116-A120 PolarHBondContact O-N 3.06Å; A120-E123 PolarHBondContact O-N 3.46Å; A120-V124 WeakPolarHBondContact O-CG2 3.42Å; A120-V124 PolarHBondContact O-N 3.07Å
121Q90.3Very high86.1Confident54 Ų5464.9 Ų64.925%0.25237%0.37SS..Hα-helixtrans-66.2-39.6177.6-176.265.8-5.300112.7L36 S117 V118 R119 V124 Q125L36-Q121 WeakPolarHBondContact O-CG 3.28Å; S117-Q121 WeakPolarHBondContact O-CB 3.43Å; S117-Q121 PolarHBondContact O-N 3.18Å; V118-Q121 PolarHBondContact O-N 2.7Å; R119-Q121 VanDerWaalsContact C-N 3.26Å; R119-Q121 PolarHBondContact O-N 3.17Å; Q121-V124 PolarHBondContact O-N 3.38Å; Q121-Q125 WeakPolarHBondContact O-CG 3.39Å; Q121-Q125 PolarHBondContact O-N 2.78Å
122Q89.1Confident85.6Confident25 Ų2570.3 Ų70.312%0.11740%0.395CS..Hα-helixtrans-66.8-37.9176.9-73.1-178-53.600112.3R76 V118 R119 Q125 S126R76-Q122 PolarHBondContact O-NE2 2.85Å; V118-Q122 HydrophobicContact CG1-CG 4.46Å; V118-Q122 VanDerWaalsContact O-CG 3.3Å; V118-Q122 WeakPolarHBondContact O-CG 3.15Å; V118-Q122 PolarHBondContact O-N 2.92Å; R119-Q122 PolarHBondContact O-N 3.09Å; Q122-Q125 PolarHBondContact O-N 3.11Å; Q122-S126 WeakPolarHBondContact O-CB 3.43Å; Q122-S126 PolarHBondContact O-N 3.26Å
123E85.9Confident85.2Confident109 Ų10970.6 Ų70.651%0.50939%0.39SS..Hα-helixtrans-60.6-49.8172.6-73.6173.8179.400110.7R119 A120 Q125 S126 M127R119-E123 WeakPolarHBondContact O-CG 3.26Å; R119-E123 PolarHBondContact O-N 2.9Å; A120-E123 PolarHBondContact O-N 3.46Å; E123-Q125 VanDerWaalsContact C-N 3.33Å; E123-Q125 PolarHBondContact O-N 3.17Å; E123-S126 PolarHBondContact O-N 3.42Å; E123-S126 VanDerWaalsContact O-N 3.09Å; E123-S126 PolarHBondContact O-OG 2.94Å; E123-M127 WeakPolarHBondContact O-CG 3.46Å; E123-M127 PolarHBondContact O-N 2.9Å
124V84Confident85Confident69 Ų6968.2 Ų68.242%0.41838%0.384SS..Hα-helixtrans-56.1-47.3174.51720000111.1A120 Q121 S126 M127 L128A120-V124 WeakPolarHBondContact O-CG2 3.42Å; A120-V124 PolarHBondContact O-N 3.07Å; Q121-V124 PolarHBondContact O-N 3.38Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 2.97Å; V124-M127 PolarHBondContact O-N 2.98Å; V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.33Å; V124-L128 WeakPolarHBondContact O-CB 3.27Å; V124-L128 VanDerWaalsContact O-CG 3.26Å; V124-L128 WeakPolarHBondContact O-CG 3.22Å; V124-L128 PolarHBondContact O-N 3.47Å
125Q80.3Confident84.9Confident97 Ų9769.7 Ų69.745%0.45339%0.392SS..Hα-helixtrans-61.6-38.7177.3-76.7-173.4-2.900112.5Q121 Q122 E123 L128 S129Q121-Q125 WeakPolarHBondContact O-CG 3.39Å; Q121-Q125 PolarHBondContact O-N 2.78Å; Q122-Q125 PolarHBondContact O-N 3.11Å; E123-Q125 VanDerWaalsContact C-N 3.33Å; E123-Q125 PolarHBondContact O-N 3.17Å; Q125-L128 PolarHBondContact O-N 2.79Å; Q125-S129 WeakPolarHBondContact O-CB 3.48Å; Q125-S129 PolarHBondContact O-N 3.47Å; Q125-S129 PolarHBondContact O-OG 2.78Å
126S78.6Confident84.9Confident65 Ų6572.5 Ų72.546%0.45541%0.406SS..Hα-helixtrans-65.8-39.9176.376.20000112.1Q122 E123 V124 S129 I130Q122-S126 WeakPolarHBondContact O-CB 3.43Å; Q122-S126 PolarHBondContact O-N 3.26Å; E123-S126 PolarHBondContact O-N 3.42Å; E123-S126 VanDerWaalsContact O-N 3.09Å; E123-S126 PolarHBondContact O-OG 2.94Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 2.97Å; S126-S129 WeakPolarHBondContact O-CB 3.34Å; S126-S129 PolarHBondContact O-N 3.44Å; S126-I130 PolarHBondContact O-N 2.7Å
127M71.8Confident85Confident136 Ų13674.9 Ų74.967%0.6741%0.408SS*.Hα-helixtrans-66.6-41176.1-68.5-178.592.200110.9E123 V124 S129 I130E123-M127 WeakPolarHBondContact O-CG 3.46Å; E123-M127 PolarHBondContact O-N 2.9Å; V124-M127 PolarHBondContact O-N 2.98Å; M127-S129 PolarHBondContact O-N 2.98Å; M127-I130 PolarHBondContact O-N 3.3Å
128L66.6Low85.1Confident102 Ų10279.4 Ų79.453%0.53442%0.415SS..Hα-helixtrans-67.7-23.3174.2-68.2172.8000112.9V124 Q125 I130 P166V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.33Å; V124-L128 WeakPolarHBondContact O-CB 3.27Å; V124-L128 VanDerWaalsContact O-CG 3.26Å; V124-L128 WeakPolarHBondContact O-CG 3.22Å; V124-L128 PolarHBondContact O-N 3.47Å; Q125-L128 PolarHBondContact O-N 2.79Å; L128-I130 PolarHBondContact O-N 3.28Å; L128-P166 WeakPolarHBondContact O-CB 3.32Å; L128-P166 WeakPolarHBondContact O-CG 3.35Å
129S67.1Low85.2Confident82 Ų8285.2 Ų85.257%0.57344%0.441SS*.THydrogen-bonded Turntrans-78.9-6.1175.5-58.70000112.9Q125 S126 M127 P166Q125-S129 WeakPolarHBondContact O-CB 3.48Å; Q125-S129 PolarHBondContact O-N 3.47Å; Q125-S129 PolarHBondContact O-OG 2.78Å; S126-S129 WeakPolarHBondContact O-CB 3.34Å; S126-S129 PolarHBondContact O-N 3.44Å; M127-S129 PolarHBondContact O-N 2.98Å; S129-P166 WeakPolarHBondContact O-CG 3.44Å
130I76.3Confident85.3Confident115 Ų11587.3 Ų87.359%0.5946%0.457SS*.SBendtrans-94.7130.3172.3-59.2167.3000107.5S126 M127 L128 Q132S126-I130 PolarHBondContact O-N 2.7Å; M127-I130 PolarHBondContact O-N 3.3Å; L128-I130 PolarHBondContact O-N 3.28Å; I130-Q132 PolarHBondContact O-N 2.84Å
131G81.1Confident85.4Confident30 Ų3085.8 Ų85.831%0.30945%0.446SS..PPolyproline II helixtrans-59.4138.5176.800000111.6V164G131-V164 CarbonylContact C-O 3.53Å; G131-V164 WeakPolarHBondContact CA-O 3.27Å
132Q85.6Confident85.4Confident118 Ų11888 Ų8855%0.55146%0.457SS*.EExtended strand (participates in β ladder)trans-90.6125.3-178.5-64.8-175.4-37.800110.6I130 V134 I163 V164I130-Q132 PolarHBondContact O-N 2.84Å; Q132-V134 PolarHBondContact O-N 2.82Å; Q132-I163 CarbonylContact O-C 3.57Å; Q132-I163 VanDerWaalsContact O-CA 3.26Å; Q132-I163 WeakPolarHBondContact O-CA 3.16Å; Q132-V164 PolarHBondContact N-O 2.89Å; Q132-V164 PolarHBondContact O-N 2.8Å
133L87.4Confident85.3Confident90 Ų9088.6 Ų88.647%0.47147%0.466SS..EExtended strand (participates in β ladder)trans-71.9115.6170.8-179.268.5000109.1D135 L161 I163L133-D135 WeakPolarHBondContact CD1-O 3.23Å; L133-L161 HydrophobicContact CD1-CB 3.8Å; L133-L161 HydrophobicContact CD1-CD2 4.02Å; L133-L161 HydrophobicContact CD1-CG 4.32Å; L133-I163 HydrophobicContact CD1-CG1 4.2Å
134V91Very high85.2Confident75 Ų7588.3 Ų88.346%0.45547%0.471SS..EExtended strand (participates in β ladder)trans-109.1-21.6-175.6-65.70000114.1Q132 K162 V164Q132-V134 PolarHBondContact O-N 2.82Å; V134-K162 HydrophobicContact CG2-CB 4Å; V134-K162 HydrophobicContact CG2-CD 3.98Å; V134-K162 HydrophobicContact CG2-CG 3.79Å; V134-K162 VanDerWaalsContact CG2-O 3.27Å; V134-K162 WeakPolarHBondContact CG2-O 3.45Å; V134-K162 PolarHBondContact N-O 2.81Å; V134-V164 HydrophobicContact CB-CG2 4.37Å; V134-V164 HydrophobicContact CG1-CB 4.25Å; V134-V164 HydrophobicContact CG1-CG2 3.51Å; V134-V164 HydrophobicContact CG2-CG2 3.95Å
135D92.9Very high85.2Confident63 Ų6389.9 Ų89.934%0.33749%0.485SS..EExtended strand (participates in β ladder)trans-151.7146.1174.8-173.727000110L133 Q137 K162L133-D135 WeakPolarHBondContact CD1-O 3.23Å; D135-Q137 PolarHBondContact OD2-NE2 2.81Å; D135-K162 HydrophobicContact CB-CB 3.79Å; D135-K162 HydrophobicContact CB-CD 4.12Å; D135-K162 PolarHBondContact N-O 3.11Å; D135-K162 PolarHBondContact O-N 2.85Å
136M93.1Very high85.3Confident60 Ų6087.7 Ų87.730%0.29648%0.481SS..EExtended strand (participates in β ladder)trans-136.4112.9176173.1175.5158.400108.6L159 L161 F185M136-L159 HydrophobicContact CE-CD2 3.54Å; M136-L159 HydrophobicContact CE-CG 3.96Å; M136-L159 HydrophobicContact SD-CD2 4.41Å; M136-L161 HydrophobicContact CB-CD2 4.09Å; M136-L161 HydrophobicContact CG-CD2 3.77Å; M136-L161 HydrophobicContact SD-CD2 4.18Å; M136-F185 HydrophobicContact CE-CE1 4.05Å
137Q95.1Very high85.8Confident104 Ų10492 Ų9249%0.48650%0.499SS..EExtended strand (participates in β ladder)trans-109.6148175.1-59.71797.800109.3D135 L159 L160D135-Q137 PolarHBondContact OD2-NE2 2.81Å; Q137-L159 CarbonylContact O-C 3.56Å; Q137-L159 WeakPolarHBondContact O-CA 3.44Å; Q137-L160 HydrophobicContact CB-CB 4.36Å; Q137-L160 PolarHBondContact N-O 3.33Å; Q137-L160 PolarHBondContact O-N 3.38Å
138W94.6Very high86.4Confident158 Ų15891.4 Ų91.460%0.59850%0.503SS*.EExtended strand (participates in β ladder)trans-140.8153.6176.169-84.2000110.9L140 V157 S158 L159W138-L140 HydrophobicContact CZ3-CB 4.23Å; W138-V157 HydrophobicContact CB-CG1 4.43Å; W138-V157 HydrophobicContact CE3-CG1 4.16Å; W138-S158 CarbonylContact C-O 3.58Å; W138-S158 VanDerWaalsContact CA-O 3.26Å; W138-S158 WeakPolarHBondContact CA-O 3.19Å; W138-L159 HydrophobicContact CB-CD1 3.81Å; W138-L159 HydrophobicContact CB-CG 4.22Å
139K95.5Very high86.7Confident123 Ų12389.1 Ų89.154%0.53550%0.495SS..EExtended strand (participates in β ladder)trans-138.7144.8172.162.1176.4-175.9176.10110.3V157 S158K139-V157 CarbonylContact O-C 3.42Å; K139-V157 WeakPolarHBondContact O-CA 3.45Å; K139-S158 WeakPolarHBondContact CE-OG 3.27Å; K139-S158 PolarHBondContact N-O 2.85Å; K139-S158 PolarHBondContact O-N 3.48Å
140L94.4Very high87Confident111 Ų11197.1 Ų97.158%0.58151%0.513SS*.EExtended strand (participates in β ladder)trans-95.5121.9168.1178.767.2000108.2W138 P155 V157 I179W138-L140 HydrophobicContact CZ3-CB 4.23Å; L140-P155 HydrophobicContact CD1-CB 4.28Å; L140-V157 HydrophobicContact CD1-CG2 4.02Å; L140-I179 HydrophobicContact CD1-CD1 3.57Å
141G92.1Very high86.6Confident16 Ų1696.7 Ų96.717%0.16552%0.52CS..EExtended strand (participates in β ladder)trans-123.5155.6-179.700000111.6P155 Y156G141-P155 CarbonylContact O-C 3.59Å; G141-P155 VanDerWaalsContact O-CA 3.3Å; G141-P155 WeakPolarHBondContact O-CA 3.26Å; G141-Y156 PolarHBondContact N-O 2.9Å; G141-Y156 WeakPolarHBondContact O-CD1 3.48Å; G141-Y156 PolarHBondContact O-N 3.43Å
142M91Very high86.3Confident100 Ų10096.8 Ų96.849%0.49351%0.513SS..  trans-151.2133.6168.4-175.3171.565.300107.7V144 P155M142-V144 HydrophobicContact CE-CG1 4.04Å; M142-P155 HydrophobicContact CB-CB 4.31Å; M142-P155 HydrophobicContact SD-CB 4.37Å
143A86.5Confident86.1Confident37 Ų3796.9 Ų96.931%0.30652%0.517SS..  trans-85.4137170.600000108.8L152A143-L152 HydrophobicContact CB-CB 3.81Å; A143-L152 HydrophobicContact CB-CD1 4.16Å; A143-L152 HydrophobicContact CB-CD2 3.74Å; A143-L152 HydrophobicContact CB-CG 4.12Å; A143-L152 CarbonylContact O-C 3.59Å; A143-L152 WeakPolarHBondContact O-CB 3.35Å
144V83.8Confident86.1Confident103 Ų10396.6 Ų96.662%0.62452%0.523SS*.  trans-113.2-20.2-176.2-66.40000113M142M142-V144 HydrophobicContact CE-CG1 4.04Å
145S84.1Confident86.1Confident102 Ų10295.8 Ų95.871%0.71352%0.519SS*.  trans-153.6145178.558.70000112.1L152S145-L152 VanDerWaalsContact O-CD1 3.31Å; S145-L152 WeakPolarHBondContact O-CD1 3.16Å
146S83.8Confident86.1Confident52 Ų5296.2 Ų96.236%0.36452%0.517SS..  trans-156.6145.8171.4168.20000108.3T148 C149S146-T148 VanDerWaalsContact C-N 3.27Å; S146-T148 PolarHBondContact OG-N 3.43Å; S146-T148 PolarHBondContact OG-OG1 3.02Å; S146-T148 VanDerWaalsContact OG-OG1 3.05Å; S146-C149 PolarHBondContact OG-N 3.39Å; S146-C149 VanDerWaalsContact OG-N 3.14Å
147D88.6Confident86.2Confident156 Ų15693.5 Ų93.583%0.83450%0.503SS*.SBendtrans-70.3-20.6170.257.5-18.6000113.4
148T83.7Confident86.3Confident123 Ų12389 Ų8976%0.75548%0.484SS*.SBendtrans-118.8-16.9-170.947.90000114.2S146S146-T148 VanDerWaalsContact C-N 3.27Å; S146-T148 PolarHBondContact OG-N 3.43Å; S146-T148 PolarHBondContact OG-OG1 3.02Å; S146-T148 VanDerWaalsContact OG-OG1 3.05Å
149C73.4Confident86.3Confident54 Ų5481.6 Ų81.637%0.36546%0.456SS..  trans-128.4120.2179-1740000112.2S146 L152S146-C149 PolarHBondContact OG-N 3.39Å; S146-C149 VanDerWaalsContact OG-N 3.14Å; C149-L152 HydrophobicContact CB-CD2 3.79Å; C149-L152 HydrophobicContact CB-CG 4.08Å; C149-L152 WeakPolarHBondContact O-CG 3.33Å
150R73.6Confident86.4Confident250 Ų25078.3 Ų78.394%0.94344%0.444SS*.SBendtrans-83.9-15.7-179-60.3-176.6-157.6-96.8-1113.8
151S68.5Low86.4Confident105 Ų10574.6 Ų74.673%0.73442%0.424SS*.  trans-113.559.7-172.1-59.40000111.7
152L74.1Confident86.5Confident33 Ų3377.2 Ų77.217%0.17343%0.431CS..  trans-94.9-16.3-175.9-69.3173.8000114.8A143 S145 C149 S154A143-L152 HydrophobicContact CB-CB 3.81Å; A143-L152 HydrophobicContact CB-CD1 4.16Å; A143-L152 HydrophobicContact CB-CD2 3.74Å; A143-L152 HydrophobicContact CB-CG 4.12Å; A143-L152 CarbonylContact O-C 3.59Å; A143-L152 WeakPolarHBondContact O-CB 3.35Å; S145-L152 VanDerWaalsContact O-CD1 3.31Å; S145-L152 WeakPolarHBondContact O-CD1 3.16Å; C149-L152 HydrophobicContact CB-CD2 3.79Å; C149-L152 HydrophobicContact CB-CG 4.08Å; C149-L152 WeakPolarHBondContact O-CG 3.33Å; L152-S154 PolarHBondContact O-N 3.01Å
153N81.8Confident86.6Confident119 Ų11974.5 Ų74.564%0.63642%0.418SS*.  trans-73.951.6-174.5-65.8-26.6000112.8
154S86Confident86.8Confident84 Ų8474.5 Ų74.559%0.58741%0.414SS*.  trans-132111.5178.2-69.20000108.1L152L152-S154 PolarHBondContact O-N 3.01Å
155P91.1Very high87Confident58 Ų5872.8 Ų72.838%0.37740%0.399SS..  trans-69.1146.5178.229.2-34.2000110.5L140 G141 M142 I179L140-P155 HydrophobicContact CD1-CB 4.28Å; G141-P155 CarbonylContact O-C 3.59Å; G141-P155 VanDerWaalsContact O-CA 3.3Å; G141-P155 WeakPolarHBondContact O-CA 3.26Å; M142-P155 HydrophobicContact CB-CB 4.31Å; M142-P155 HydrophobicContact SD-CB 4.37Å; P155-I179 HydrophobicContact CB-CD1 4.1Å; P155-I179 HydrophobicContact CB-CG1 4.16Å; P155-I179 HydrophobicContact CG-CD1 4.26Å; P155-I179 HydrophobicContact CG-CG1 3.76Å
156Y93.2Very high86.8Confident72 Ų7271.8 Ų71.828%0.28239%0.391SS..EExtended strand (participates in β ladder)trans-137.2155.6178.364.8-88.6000110G141 S158 E176 M177G141-Y156 PolarHBondContact N-O 2.9Å; G141-Y156 WeakPolarHBondContact O-CD1 3.48Å; G141-Y156 PolarHBondContact O-N 3.43Å; Y156-S158 VanDerWaalsContact CE2-OG 3.27Å; Y156-S158 WeakPolarHBondContact CE2-OG 3.22Å; Y156-E176 HydrophobicContact CD2-CB 4.35Å; Y156-E176 HydrophobicContact CD2-CG 4.29Å; Y156-E176 HydrophobicContact CE2-CG 4.49Å; Y156-E176 WeakPolarHBondContact CE2-OE1 3.36Å; Y156-M177 CarbonylContact C-O 3.12Å; Y156-M177 WeakPolarHBondContact CA-O 3.4Å
157V96.3Very high86.6Confident3 Ų373.6 Ų73.62%0.01840%0.403CS..EExtended strand (participates in β ladder)trans-107126.6172.4-176.10000108W138 K139 L140 L159 E176 M177 I179 F182W138-V157 HydrophobicContact CB-CG1 4.43Å; W138-V157 HydrophobicContact CE3-CG1 4.16Å; K139-V157 CarbonylContact O-C 3.42Å; K139-V157 WeakPolarHBondContact O-CA 3.45Å; L140-V157 HydrophobicContact CD1-CG2 4.02Å; V157-L159 HydrophobicContact CG1-CD1 3.54Å; V157-E176 CarbonylContact O-C 3.5Å; V157-E176 VanDerWaalsContact O-CA 3.32Å; V157-E176 WeakPolarHBondContact O-CA 3.37Å; V157-M177 HydrophobicContact CB-CG 4.02Å; V157-M177 PolarHBondContact N-O 2.89Å; V157-M177 PolarHBondContact O-N 2.67Å; V157-I179 HydrophobicContact CG2-CD1 3.92Å; V157-F182 HydrophobicContact CB-CB 4.3Å; V157-F182 HydrophobicContact CB-CD2 4.12Å; V157-F182 HydrophobicContact CB-CG 4.17Å; V157-F182 HydrophobicContact CG1-CD2 3.79Å; V157-F182 HydrophobicContact CG1-CE2 3.97Å; V157-F182 HydrophobicContact CG1-CG 4.25Å; V157-F182 HydrophobicContact CG2-CB 3.94Å; V157-F182 HydrophobicContact CG2-CD1 4.07Å; V157-F182 HydrophobicContact CG2-CD2 4.21Å; V157-F182 HydrophobicContact CG2-CG 3.8Å
158S96.1Very high86.3Confident11 Ų1168.7 Ų68.78%0.07739%0.39CS..EExtended strand (participates in β ladder)trans-99.2130.8166.7-39.70000109.2W138 K139 Y156 F175 E176W138-S158 CarbonylContact C-O 3.58Å; W138-S158 VanDerWaalsContact CA-O 3.26Å; W138-S158 WeakPolarHBondContact CA-O 3.19Å; K139-S158 WeakPolarHBondContact CE-OG 3.27Å; K139-S158 PolarHBondContact N-O 2.85Å; K139-S158 PolarHBondContact O-N 3.48Å; Y156-S158 VanDerWaalsContact CE2-OG 3.27Å; Y156-S158 WeakPolarHBondContact CE2-OG 3.22Å; S158-F175 WeakPolarHBondContact CA-O 3.43Å; S158-E176 PolarHBondContact OG-OE1 3.49Å
159L95.4Very high86.6Confident2 Ų268.7 Ų68.71%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-104.8143.8169.6-94.462.1000109.8M136 Q137 W138 V157 A174 F175 M177 F182 F185M136-L159 HydrophobicContact CE-CD2 3.54Å; M136-L159 HydrophobicContact CE-CG 3.96Å; M136-L159 HydrophobicContact SD-CD2 4.41Å; Q137-L159 CarbonylContact O-C 3.56Å; Q137-L159 WeakPolarHBondContact O-CA 3.44Å; W138-L159 HydrophobicContact CB-CD1 3.81Å; W138-L159 HydrophobicContact CB-CG 4.22Å; V157-L159 HydrophobicContact CG1-CD1 3.54Å; L159-A174 WeakPolarHBondContact O-CA 3.26Å; L159-F175 HydrophobicContact CB-CD1 4.31Å; L159-F175 HydrophobicContact CB-CE1 3.89Å; L159-F175 HydrophobicContact CB-CZ 4.09Å; L159-F175 HydrophobicContact CD2-CE1 4.25Å; L159-F175 HydrophobicContact CD2-CE2 4.45Å; L159-F175 HydrophobicContact CD2-CZ 3.76Å; L159-F175 PolarHBondContact N-O 3.45Å; L159-F175 PolarHBondContact O-N 2.87Å; L159-F175 VanDerWaalsContact O-N 3.11Å; L159-M177 HydrophobicContact CD1-CE 4.04Å; L159-M177 HydrophobicContact CD2-CE 4.04Å; L159-F182 HydrophobicContact CD1-CD2 4.25Å; L159-F182 HydrophobicContact CD1-CE2 4.08Å; L159-F185 HydrophobicContact CD2-CD1 4.44Å; L159-F185 HydrophobicContact CD2-CE1 3.76Å; L159-F185 HydrophobicContact CD2-CZ 3.94Å
160L96.4Very high87.5Confident53 Ų5370.6 Ų70.628%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-123.8116.5168.2179.568.2000108.3Q137 Q172 A174Q137-L160 HydrophobicContact CB-CB 4.36Å; Q137-L160 PolarHBondContact N-O 3.33Å; Q137-L160 PolarHBondContact O-N 3.38Å; L160-Q172 HydrophobicContact CD1-CB 4.16Å; L160-A174 HydrophobicContact CD1-CB 3.98Å
161L94.4Very high88.4Confident33 Ų3359.7 Ų59.717%0.17335%0.349CS..EExtended strand (participates in β ladder)trans-102.6131.2177.7-55.2-176.4000109.3L133 M136 Q172 R173 F175L133-L161 HydrophobicContact CD1-CB 3.8Å; L133-L161 HydrophobicContact CD1-CD2 4.02Å; L133-L161 HydrophobicContact CD1-CG 4.32Å; M136-L161 HydrophobicContact CB-CD2 4.09Å; M136-L161 HydrophobicContact CG-CD2 3.77Å; M136-L161 HydrophobicContact SD-CD2 4.18Å; L161-Q172 CarbonylContact O-C 3.59Å; L161-Q172 WeakPolarHBondContact O-CA 3.48Å; L161-R173 PolarHBondContact N-O 3.43Å; L161-R173 PolarHBondContact O-N 3.06Å; L161-F175 HydrophobicContact CD1-CE1 3.84Å; L161-F175 HydrophobicContact CG-CE1 4.12Å
162K95.3Very high89.7Confident71 Ų7160.6 Ų60.631%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-106.2120.2171.9-166.1-178.6-178.1-176.60108.6V134 D135 I170 Q172V134-K162 HydrophobicContact CG2-CB 4Å; V134-K162 HydrophobicContact CG2-CD 3.98Å; V134-K162 HydrophobicContact CG2-CG 3.79Å; V134-K162 VanDerWaalsContact CG2-O 3.27Å; V134-K162 WeakPolarHBondContact CG2-O 3.45Å; V134-K162 PolarHBondContact N-O 2.81Å; D135-K162 HydrophobicContact CB-CB 3.79Å; D135-K162 HydrophobicContact CB-CD 4.12Å; D135-K162 PolarHBondContact N-O 3.11Å; D135-K162 PolarHBondContact O-N 2.85Å; K162-I170 HydrophobicContact CD-CG2 4.16Å; K162-I170 VanDerWaalsContact CE-CG2 3.4Å; K162-I170 HydrophobicContact CG-CG2 3.64Å; K162-Q172 HydrophobicContact CG-CG 4.46Å
163I92.7Very high90.6Very high44 Ų4466.1 Ų66.123%0.22636%0.36CS..EExtended strand (participates in β ladder)trans-121.2132.4-173.7-57.1169.1000108.4Q132 L133 I170 C171 R173Q132-I163 CarbonylContact O-C 3.57Å; Q132-I163 VanDerWaalsContact O-CA 3.26Å; Q132-I163 WeakPolarHBondContact O-CA 3.16Å; L133-I163 HydrophobicContact CD1-CG1 4.2Å; I163-I170 WeakPolarHBondContact O-CA 3.33Å; I163-C171 PolarHBondContact N-O 3.14Å; I163-C171 PolarHBondContact O-N 3.05Å; I163-R173 HydrophobicContact CD1-CG 4.27Å
164V91.1Very high91.2Very high37 Ų3764.2 Ų64.222%0.22436%0.361CS..EExtended strand (participates in β ladder)trans-90.8113.4166.8177.90000107.4G131 Q132 V134 I170G131-V164 CarbonylContact C-O 3.53Å; G131-V164 WeakPolarHBondContact CA-O 3.27Å; Q132-V164 PolarHBondContact N-O 2.89Å; Q132-V164 PolarHBondContact O-N 2.8Å; V134-V164 HydrophobicContact CB-CG2 4.37Å; V134-V164 HydrophobicContact CG1-CB 4.25Å; V134-V164 HydrophobicContact CG1-CG2 3.51Å; V134-V164 HydrophobicContact CG2-CG2 3.95Å; V164-I170 HydrophobicContact CG2-CG1 4.23Å
165E87.1Confident91.6Very high66 Ų6664.1 Ų64.131%0.30835%0.35SS..  trans-71.8158.8174.6-67.8-176.4178.500110.7S167 G168 Q169 C171E165-S167 PolarHBondContact O-N 2.92Å; E165-G168 WeakPolarHBondContact O-CA 3.31Å; E165-G168 PolarHBondContact O-N 2.95Å; E165-Q169 PolarHBondContact N-O 2.99Å; E165-C171 HydrophobicContact CG-CB 4.26Å
166P80.1Confident91.8Very high82 Ų8267.1 Ų67.153%0.53236%0.359SS..THydrogen-bonded Turntrans-57.8-21.3177.5-2433.2000114.1L128 S129 G168L128-P166 WeakPolarHBondContact O-CB 3.32Å; L128-P166 WeakPolarHBondContact O-CG 3.35Å; S129-P166 WeakPolarHBondContact O-CG 3.44Å; P166-G168 PolarHBondContact O-N 2.89Å
167S80.5Confident91.9Very high89 Ų8964.4 Ų64.462%0.62235%0.349SS*.THydrogen-bonded Turntrans-69.5-10.4172.660.80000113.8E165 Q169E165-S167 PolarHBondContact O-N 2.92Å; S167-Q169 VanDerWaalsContact C-N 3.26Å; S167-Q169 WeakPolarHBondContact OG-CB 3.48Å; S167-Q169 PolarHBondContact OG-N 2.89Å
168G82.7Confident91.8Very high54 Ų5467.5 Ų67.556%0.55737%0.368SS*.SBendtrans83.3-3.2-168.900000113.6E165 P166E165-G168 WeakPolarHBondContact O-CA 3.31Å; E165-G168 PolarHBondContact O-N 2.95Å; P166-G168 PolarHBondContact O-N 2.89Å
169Q89.5Confident91.7Very high122 Ų12269.2 Ų69.257%0.5738%0.376SS*.  trans-72.2137.2176.6-175.6174.9-14.900110.9E165 S167E165-Q169 PolarHBondContact N-O 2.99Å; S167-Q169 VanDerWaalsContact C-N 3.26Å; S167-Q169 WeakPolarHBondContact OG-CB 3.48Å; S167-Q169 PolarHBondContact OG-N 2.89Å
170I92.3Very high91.7Very high95 Ų9573.2 Ų73.249%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-88.8123171.6-61.2176000109K162 I163 V164K162-I170 HydrophobicContact CD-CG2 4.16Å; K162-I170 VanDerWaalsContact CE-CG2 3.4Å; K162-I170 HydrophobicContact CG-CG2 3.64Å; I163-I170 WeakPolarHBondContact O-CA 3.33Å; V164-I170 HydrophobicContact CG2-CG1 4.23Å
171C92.9Very high91.6Very high21 Ų2176 Ų7614%0.14241%0.413CS..EExtended strand (participates in β ladder)trans-113.9145.4176.2-173.80000110.2I163 E165 R173I163-C171 PolarHBondContact N-O 3.14Å; I163-C171 PolarHBondContact O-N 3.05Å; E165-C171 HydrophobicContact CG-CB 4.26Å; C171-R173 PolarHBondContact SG-NE 2.88Å
172Q94.4Very high91.6Very high123 Ų12376.5 Ų76.558%0.57541%0.414SS*.EExtended strand (participates in β ladder)trans-117.6132.2175.4-73.7-177.6-19.900110L160 L161 K162L160-Q172 HydrophobicContact CD1-CB 4.16Å; L161-Q172 CarbonylContact O-C 3.59Å; L161-Q172 WeakPolarHBondContact O-CA 3.48Å; K162-Q172 HydrophobicContact CG-CG 4.46Å
173R93.6Very high91.5Very high150 Ų15079.1 Ų79.157%0.56643%0.427SS*.EExtended strand (participates in β ladder)trans-126.5128.7177.6-60.9-64.7-176.7175.3-1109.1L161 I163 C171L161-R173 PolarHBondContact N-O 3.43Å; L161-R173 PolarHBondContact O-N 3.06Å; I163-R173 HydrophobicContact CD1-CG 4.27Å; C171-R173 PolarHBondContact SG-NE 2.88Å
174A94.4Very high91.6Very high79 Ų7981.2 Ų81.265%0.65344%0.439SS*.EExtended strand (participates in β ladder)trans-121.5144.3178.100000110.8L159 L160L159-A174 WeakPolarHBondContact O-CA 3.26Å; L160-A174 HydrophobicContact CD1-CB 3.98Å
175F95.3Very high91.7Very high82 Ų8282.1 Ų82.136%0.3644%0.44SS..EExtended strand (participates in β ladder)trans-153.2158.617462.3-76.1000110.6S158 L159 L161 M177S158-F175 WeakPolarHBondContact CA-O 3.43Å; L159-F175 HydrophobicContact CB-CD1 4.31Å; L159-F175 HydrophobicContact CB-CE1 3.89Å; L159-F175 HydrophobicContact CB-CZ 4.09Å; L159-F175 HydrophobicContact CD2-CE1 4.25Å; L159-F175 HydrophobicContact CD2-CE2 4.45Å; L159-F175 HydrophobicContact CD2-CZ 3.76Å; L159-F175 PolarHBondContact N-O 3.45Å; L159-F175 PolarHBondContact O-N 2.87Å; L159-F175 VanDerWaalsContact O-N 3.11Å; L161-F175 HydrophobicContact CD1-CE1 3.84Å; L161-F175 HydrophobicContact CG-CE1 4.12Å; F175-M177 HydrophobicContact CD2-CE 3.75Å; F175-M177 HydrophobicContact CE2-CE 3.14Å; F175-M177 HydrophobicContact CZ-CE 3.91Å
176E95.1Very high91.9Very high121 Ų12183.2 Ų83.257%0.56545%0.445SS*.EExtended strand (participates in β ladder)trans-118149.1-178.3-57.3-169146.500110.7Y156 V157 S158Y156-E176 HydrophobicContact CD2-CB 4.35Å; Y156-E176 HydrophobicContact CD2-CG 4.29Å; Y156-E176 HydrophobicContact CE2-CG 4.49Å; Y156-E176 WeakPolarHBondContact CE2-OE1 3.36Å; V157-E176 CarbonylContact O-C 3.5Å; V157-E176 VanDerWaalsContact O-CA 3.32Å; V157-E176 WeakPolarHBondContact O-CA 3.37Å; S158-E176 PolarHBondContact OG-OE1 3.49Å
177M94.9Very high92.5Very high14 Ų1485.3 Ų85.37%0.06945%0.446CS..EExtended strand (participates in β ladder)trans-143.8150.6179.162.9-175.178.200111.1Y156 V157 L159 F175 Q181 F182 F185Y156-M177 CarbonylContact C-O 3.12Å; Y156-M177 WeakPolarHBondContact CA-O 3.4Å; V157-M177 HydrophobicContact CB-CG 4.02Å; V157-M177 PolarHBondContact N-O 2.89Å; V157-M177 PolarHBondContact O-N 2.67Å; L159-M177 HydrophobicContact CD1-CE 4.04Å; L159-M177 HydrophobicContact CD2-CE 4.04Å; F175-M177 HydrophobicContact CD2-CE 3.75Å; F175-M177 HydrophobicContact CE2-CE 3.14Å; F175-M177 HydrophobicContact CZ-CE 3.91Å; M177-Q181 HydrophobicContact CB-CB 3.88Å; M177-F182 HydrophobicContact CG-CB 3.86Å; M177-F182 HydrophobicContact CG-CD2 4.47Å; M177-F182 WeakPolarHBondContact SD-CA 3.3Å; M177-F182 HydrophobicContact SD-CB 3.49Å; M177-F182 WeakPolarHBondContact SD-CB 3.38Å; M177-F182 HydrophobicContact SD-CD2 3.57Å; M177-F182 VanDerWaalsContact SD-CD2 3.57Å; M177-F182 HydrophobicContact SD-CG 4.02Å; M177-F185 HydrophobicContact CE-CG 4.49Å; M177-F185 HydrophobicContact SD-CB 4.26Å
178T94.2Very high93Very high68 Ų6886.3 Ų86.342%0.41744%0.441SS..EExtended strand (participates in β ladder)trans-67.1160.5169.962.20000110.4Q181 F182T178-Q181 WeakPolarHBondContact O-CB 3.3Å; T178-Q181 PolarHBondContact O-N 3.19Å; T178-Q181 VanDerWaalsContact O-N 3.14Å; T178-Q181 VanDerWaalsContact OG1-CD 3.29Å; T178-Q181 VanDerWaalsContact OG1-CG 3.32Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.31Å; T178-Q181 PolarHBondContact OG1-OE1 3.38Å; T178-F182 PolarHBondContact O-N 2.9Å
179I93.6Very high93.2Very high48 Ų4887.7 Ų87.725%0.24643%0.432CS..Hα-helixtrans-55-44.8177.8-53.4-52.9000113L140 P155 V157 Q181 F182 Q183L140-I179 HydrophobicContact CD1-CD1 3.57Å; P155-I179 HydrophobicContact CB-CD1 4.1Å; P155-I179 HydrophobicContact CB-CG1 4.16Å; P155-I179 HydrophobicContact CG-CD1 4.26Å; P155-I179 HydrophobicContact CG-CG1 3.76Å; V157-I179 HydrophobicContact CG2-CD1 3.92Å; I179-Q181 VanDerWaalsContact C-N 3.34Å; I179-Q181 PolarHBondContact O-N 2.93Å; I179-F182 PolarHBondContact O-N 3.28Å; I179-Q183 HydrophobicContact CG2-CG 4.49Å; I179-Q183 WeakPolarHBondContact O-CG 3.49Å; I179-Q183 PolarHBondContact O-N 3.45Å
180P94.7Very high93.1Very high86 Ų8688 Ų8856%0.55843%0.431SS*.Hα-helixtrans-63.5-37.9177.5-23.435.6000113.1F182 Q183 N184P180-F182 VanDerWaalsContact C-N 3.35Å; P180-Q183 PolarHBondContact O-N 2.76Å; P180-N184 PolarHBondContact O-N 3.44Å; P180-N184 VanDerWaalsContact O-N 3.09Å
181Q94.8Very high92.9Very high111 Ų11188.3 Ų88.352%0.51943%0.43SS..Hα-helixtrans-64.1-40.7175.1-74.4168.2-37.100111.3M177 T178 I179 N184 F185M177-Q181 HydrophobicContact CB-CB 3.88Å; T178-Q181 WeakPolarHBondContact O-CB 3.3Å; T178-Q181 PolarHBondContact O-N 3.19Å; T178-Q181 VanDerWaalsContact O-N 3.14Å; T178-Q181 VanDerWaalsContact OG1-CD 3.29Å; T178-Q181 VanDerWaalsContact OG1-CG 3.32Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.31Å; T178-Q181 PolarHBondContact OG1-OE1 3.38Å; I179-Q181 VanDerWaalsContact C-N 3.34Å; I179-Q181 PolarHBondContact O-N 2.93Å; Q181-N184 PolarHBondContact O-N 3.18Å; Q181-F185 WeakPolarHBondContact O-CB 3.36Å; Q181-F185 PolarHBondContact O-N 3.11Å
182F94.2Very high92.5Very high44 Ų4492.2 Ų92.219%0.19345%0.448CS..Hα-helixtrans-64.4-40.8175.3-177.6-106.7000112.9V157 L159 M177 T178 I179 P180 N184 F185 H186V157-F182 HydrophobicContact CB-CB 4.3Å; V157-F182 HydrophobicContact CB-CD2 4.12Å; V157-F182 HydrophobicContact CB-CG 4.17Å; V157-F182 HydrophobicContact CG1-CD2 3.79Å; V157-F182 HydrophobicContact CG1-CE2 3.97Å; V157-F182 HydrophobicContact CG1-CG 4.25Å; V157-F182 HydrophobicContact CG2-CB 3.94Å; V157-F182 HydrophobicContact CG2-CD1 4.07Å; V157-F182 HydrophobicContact CG2-CD2 4.21Å; V157-F182 HydrophobicContact CG2-CG 3.8Å; L159-F182 HydrophobicContact CD1-CD2 4.25Å; L159-F182 HydrophobicContact CD1-CE2 4.08Å; M177-F182 HydrophobicContact CG-CB 3.86Å; M177-F182 HydrophobicContact CG-CD2 4.47Å; M177-F182 WeakPolarHBondContact SD-CA 3.3Å; M177-F182 HydrophobicContact SD-CB 3.49Å; M177-F182 WeakPolarHBondContact SD-CB 3.38Å; M177-F182 HydrophobicContact SD-CD2 3.57Å; M177-F182 VanDerWaalsContact SD-CD2 3.57Å; M177-F182 HydrophobicContact SD-CG 4.02Å; T178-F182 PolarHBondContact O-N 2.9Å; I179-F182 PolarHBondContact O-N 3.28Å; P180-F182 VanDerWaalsContact C-N 3.35Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-N184 PolarHBondContact O-N 3.16Å; F182-F185 HydrophobicContact CD2-CD1 4.4Å; F182-F185 HydrophobicContact CE2-CD1 4.45Å; F182-F185 PolarHBondContact O-N 3.38Å; F182-H186 VanDerWaalsContact O-CB 3.31Å; F182-H186 WeakPolarHBondContact O-CB 3.5Å; F182-H186 PolarHBondContact O-N 3.48Å
183Q94Very high91.9Very high125 Ų12587.9 Ų87.958%0.58443%0.433SS*.Hα-helixtrans-61.3-41.5175.9-71.8173-15.500111.7I179 P180 K187I179-Q183 HydrophobicContact CG2-CG 4.49Å; I179-Q183 WeakPolarHBondContact O-CG 3.49Å; I179-Q183 PolarHBondContact O-N 3.45Å; P180-Q183 PolarHBondContact O-N 2.76Å; Q183-K187 PolarHBondContact O-N 3.29Å; Q183-K187 VanDerWaalsContact O-N 3.12Å
184N95.3Very high91.3Very high89 Ų8983.2 Ų83.248%0.47643%0.426SS..Hα-helixtrans-66.4-45.3174.9-172.249.8000111.9P180 Q181 F182 H186 K187 Q188P180-N184 PolarHBondContact O-N 3.44Å; P180-N184 VanDerWaalsContact O-N 3.09Å; Q181-N184 PolarHBondContact O-N 3.18Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-N184 PolarHBondContact O-N 3.16Å; N184-H186 PolarHBondContact O-N 3.44Å; N184-K187 WeakPolarHBondContact O-CB 3.39Å; N184-K187 PolarHBondContact O-N 2.82Å; N184-Q188 PolarHBondContact O-N 3.44Å
185F92.3Very high90.6Very high56 Ų5684.9 Ų84.925%0.24642%0.423CS..Hα-helixtrans-57.2-47.2175.8174.3-94.6000111.8M136 L159 M177 Q181 F182 K187 Q188 F189M136-F185 HydrophobicContact CE-CE1 4.05Å; L159-F185 HydrophobicContact CD2-CD1 4.44Å; L159-F185 HydrophobicContact CD2-CE1 3.76Å; L159-F185 HydrophobicContact CD2-CZ 3.94Å; M177-F185 HydrophobicContact CE-CG 4.49Å; M177-F185 HydrophobicContact SD-CB 4.26Å; Q181-F185 WeakPolarHBondContact O-CB 3.36Å; Q181-F185 PolarHBondContact O-N 3.11Å; F182-F185 HydrophobicContact CD2-CD1 4.4Å; F182-F185 HydrophobicContact CE2-CD1 4.45Å; F182-F185 PolarHBondContact O-N 3.38Å; F185-K187 VanDerWaalsContact C-N 3.31Å; F185-K187 PolarHBondContact O-N 2.83Å; F185-Q188 PolarHBondContact O-N 2.84Å; F185-F189 HydrophobicContact CZ-CD2 4.21Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 2.85Å
186H90.2Very high89.5Confident88 Ų8886.4 Ų86.441%0.40743%0.433SS..Hα-helixtrans-59.7-40177.1177.964.6000112.6F182 N184 F189 K190F182-H186 VanDerWaalsContact O-CB 3.31Å; F182-H186 WeakPolarHBondContact O-CB 3.5Å; F182-H186 PolarHBondContact O-N 3.48Å; N184-H186 PolarHBondContact O-N 3.44Å; H186-F189 PolarHBondContact O-N 3.23Å; H186-K190 VanDerWaalsContact NE2-CE 3.35Å; H186-K190 WeakPolarHBondContact NE2-CE 3.46Å; H186-K190 PolarHBondContact O-N 3.42Å
187K93.5Very high88.3Confident126 Ų12688.5 Ų88.555%0.54844%0.443SS..Hα-helixtrans-62.2-48.5175.7-174.3-174.7174.4-167.90111.1Q183 N184 F185 F189 K190 E191Q183-K187 PolarHBondContact O-N 3.29Å; Q183-K187 VanDerWaalsContact O-N 3.12Å; N184-K187 WeakPolarHBondContact O-CB 3.39Å; N184-K187 PolarHBondContact O-N 2.82Å; F185-K187 VanDerWaalsContact C-N 3.31Å; F185-K187 PolarHBondContact O-N 2.83Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 3.45Å; K187-K190 PolarHBondContact O-N 3.39Å; K187-E191 WeakPolarHBondContact CE-OE1 3.37Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.06Å
188Q90.5Very high86.7Confident110 Ų11093.4 Ų93.451%0.51447%0.473SS..Hα-helixtrans-61.1-40.2177.1-69-178.3-20.300111.8N184 F185 K190 E191 M192N184-Q188 PolarHBondContact O-N 3.44Å; F185-Q188 PolarHBondContact O-N 2.84Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.28Å; Q188-E191 PolarHBondContact O-N 3.38Å; Q188-M192 WeakPolarHBondContact O-CB 3.48Å; Q188-M192 PolarHBondContact O-N 2.89Å
189F87.1Confident84.4Confident84 Ų8498.8 Ų98.837%0.36851%0.506SS..Hα-helixtrans-64.3-38.3178.4-158.8-91.5000112.1F185 H186 K187 M192 A193F185-F189 HydrophobicContact CZ-CD2 4.21Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 2.85Å; H186-F189 PolarHBondContact O-N 3.23Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 3.45Å; F189-M192 PolarHBondContact O-N 3.24Å; F189-A193 WeakPolarHBondContact O-CB 3.39Å; F189-A193 PolarHBondContact O-N 3.02Å
190K88.3Confident83.9Confident129 Ų129101.3 Ų101.356%0.56152%0.519SS*.Hα-helixtrans-65.3-41.9173.4-79.6-173.2166.3-172.40113.1H186 K187 Q188 M192 A193 A194H186-K190 VanDerWaalsContact NE2-CE 3.35Å; H186-K190 WeakPolarHBondContact NE2-CE 3.46Å; H186-K190 PolarHBondContact O-N 3.42Å; K187-K190 PolarHBondContact O-N 3.39Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.28Å; K190-M192 VanDerWaalsContact C-N 3.33Å; K190-A193 PolarHBondContact O-N 2.96Å; K190-A194 PolarHBondContact O-N 2.95Å
191E88.4Confident83.3Confident100 Ų100102.1 Ų102.147%0.46752%0.517SS..Hα-helixtrans-62.3-43.4176.2-71170.5-175.600110.7K187 Q188 A194 I195K187-E191 WeakPolarHBondContact CE-OE1 3.37Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.06Å; Q188-E191 PolarHBondContact O-N 3.38Å; E191-A194 PolarHBondContact O-N 3.14Å; E191-I195 WeakPolarHBondContact O-CG1 3.32Å; E191-I195 PolarHBondContact O-N 3.22Å; E191-I195 VanDerWaalsContact O-N 3.16Å
192M83.2Confident82.7Confident103 Ų103101.6 Ų101.651%0.50752%0.517SS..Hα-helixtrans-63.5-43.1175.6-174172.9126.900112.4Q188 F189 K190 A194 I195 M196Q188-M192 WeakPolarHBondContact O-CB 3.48Å; Q188-M192 PolarHBondContact O-N 2.89Å; F189-M192 PolarHBondContact O-N 3.24Å; K190-M192 VanDerWaalsContact C-N 3.33Å; M192-A194 VanDerWaalsContact C-N 3.35Å; M192-A194 PolarHBondContact O-N 2.74Å; M192-I195 PolarHBondContact O-N 3.34Å; M192-M196 HydrophobicContact CE-CE 4.17Å; M192-M196 HydrophobicContact CE-SD 4.36Å; M192-M196 HydrophobicContact CG-CE 4.47Å; M192-M196 PolarHBondContact O-N 3.42Å; M192-M196 VanDerWaalsContact O-N 3.11Å
193A82.1Confident82Confident32 Ų32105 Ų10526%0.26454%0.536SS..Hα-helixtrans-59.9-44.217600000111.9F189 K190 I195 M196 E197F189-A193 WeakPolarHBondContact O-CB 3.39Å; F189-A193 PolarHBondContact O-N 3.02Å; K190-A193 PolarHBondContact O-N 2.96Å; A193-I195 VanDerWaalsContact C-N 3.31Å; A193-I195 PolarHBondContact O-N 2.88Å; A193-M196 PolarHBondContact O-N 3.01Å; A193-E197 PolarHBondContact O-N 3.37Å
194A81.9Confident81.3Confident52 Ų52103.8 Ų103.843%0.4353%0.533SS..Hα-helixtrans-61.9-37177.900000112.6K190 E191 M192 T198K190-A194 PolarHBondContact O-N 2.95Å; E191-A194 PolarHBondContact O-N 3.14Å; M192-A194 VanDerWaalsContact C-N 3.35Å; M192-A194 PolarHBondContact O-N 2.74Å; A194-T198 WeakPolarHBondContact O-CG2 3.19Å; A194-T198 PolarHBondContact O-N 3.21Å; A194-T198 PolarHBondContact O-OG1 3.09Å
195I79.2Confident80.3Confident114 Ų114104.7 Ų104.759%0.58554%0.536SS*.Hα-helixtrans-66.5-42.4175.5-65.5165.2000110.8E191 M192 A193 E197 T198E191-I195 WeakPolarHBondContact O-CG1 3.32Å; E191-I195 PolarHBondContact O-N 3.22Å; E191-I195 VanDerWaalsContact O-N 3.16Å; M192-I195 PolarHBondContact O-N 3.34Å; A193-I195 VanDerWaalsContact C-N 3.31Å; A193-I195 PolarHBondContact O-N 2.88Å; I195-E197 VanDerWaalsContact C-N 3.32Å; I195-E197 PolarHBondContact O-N 3.12Å; I195-T198 PolarHBondContact O-N 3.07Å; I195-T198 PolarHBondContact O-OG1 3.37Å
196M72.4Confident79.5Confident115 Ų115108.2 Ų108.257%0.56756%0.557SS**Hα-helixtrans-66.7-30.7179.2-69.2-171-61.700113.3M192 A193 T198M192-M196 HydrophobicContact CE-CE 4.17Å; M192-M196 HydrophobicContact CE-SD 4.36Å; M192-M196 HydrophobicContact CG-CE 4.47Å; M192-M196 PolarHBondContact O-N 3.42Å; M192-M196 VanDerWaalsContact O-N 3.11Å; A193-M196 PolarHBondContact O-N 3.01Å; M196-T198 VanDerWaalsContact C-N 3.25Å; M196-T198 PolarHBondContact O-N 2.97Å
197E69.9Low78.7Confident164 Ų164109.8 Ų109.877%0.76657%0.569SS**Hα-helixtrans-73.1-16.6175.4-72.9176.7-178.900113.3A193 I195A193-E197 PolarHBondContact O-N 3.37Å; I195-E197 VanDerWaalsContact C-N 3.32Å; I195-E197 PolarHBondContact O-N 3.12Å
198T60Low77.4Confident117 Ų117108.4 Ų108.472%0.71857%0.57SS**THydrogen-bonded Turntrans-94.34.2-177.955.90000114.9A194 I195 M196A194-T198 WeakPolarHBondContact O-CG2 3.19Å; A194-T198 PolarHBondContact O-N 3.21Å; A194-T198 PolarHBondContact O-OG1 3.09Å; I195-T198 PolarHBondContact O-N 3.07Å; I195-T198 PolarHBondContact O-OG1 3.37Å; M196-T198 VanDerWaalsContact C-N 3.25Å; M196-T198 PolarHBondContact O-N 2.97Å
199V46.1Very low76.2Confident181 Ų181108.3 Ų108.3100%1.09758%0.575SS**  trans-109.40175.8-176.80000109.4

Retrieved 199 of 199 residues in 180.7 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).