G4V9A8_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession G4V9A8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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
1M49.2Very low87.9Confident244 Ų24461.3 Ų61.3100%1.20234%0.335SS*.  0143.10-88.3-162.5-95.500107.9A3M1-A3 PolarHBondContact O-N 3.03Å
2A59Low88.8Confident100 Ų10056.2 Ų56.283%0.82631%0.307SS*.PPolyproline II helixtrans-63.5127.7171.500000108.7I4A2-I4 PolarHBondContact O-N 3.13Å
3A76Confident89.6Confident65 Ų6553.7 Ų53.754%0.53729%0.293SS..PPolyproline II helixtrans-58.3138.5173.300000109M1 R5M1-A3 PolarHBondContact O-N 3.03Å; A3-R5 PolarHBondContact O-N 3.17Å; A3-R5 VanDerWaalsContact O-N 3.13Å
4I94.6Very high90Very high67 Ų6752.4 Ų52.434%0.34430%0.299SS..EExtended strand (participates in β ladder)trans-66.2117.3172.8-63.9166.9000106A2 K6 K51 V53 E54 L179A2-I4 PolarHBondContact O-N 3.13Å; I4-K6 HydrophobicContact CG2-CG 4.32Å; I4-K51 HydrophobicContact CD1-CB 4.15Å; I4-K51 HydrophobicContact CD1-CD 4.18Å; I4-K51 HydrophobicContact CD1-CG 4.38Å; I4-V53 HydrophobicContact CB-CG2 4.33Å; I4-V53 HydrophobicContact CG2-CG1 4.47Å; I4-V53 HydrophobicContact CG2-CG2 4.3Å; I4-V53 CarbonylContact O-C 3.58Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.4Å; I4-V53 WeakPolarHBondContact O-CG1 3.42Å; I4-E54 PolarHBondContact O-N 3.02Å; I4-L179 HydrophobicContact CD1-CD2 4.39Å; I4-L179 HydrophobicContact CG2-CD2 3.71Å
5R96.8Very high90.4Very high155 Ų15552.4 Ų52.459%0.58531%0.307SS*.EExtended strand (participates in β ladder)trans-102.6134.4177.8-168.1173.3-176.7177.91.6110.4A3 E54A3-R5 PolarHBondContact O-N 3.17Å; A3-R5 VanDerWaalsContact O-N 3.13Å; R5-E54 WeakPolarHBondContact CA-O 3.36Å; R5-E54 WeakPolarHBondContact CD-OE1 3.16Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 2.73Å; R5-E54 IonicContact NE-OE1 3.69Å; R5-E54 PolarHBondContact NE-OE1 2.96Å; R5-E54 IonicContact NH1-OE1 2.89Å; R5-E54 IonicContact NH2-OE1 3.69Å
6K97.8Very high90.9Very high18 Ų1849.2 Ų49.28%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-131.8136.9178-70.1-64.4-178.6167.60111.1I4 V53 E54 L55 A56 D78 A178I4-K6 HydrophobicContact CG2-CG 4.32Å; K6-V53 HydrophobicContact CB-CG1 3.92Å; K6-V53 HydrophobicContact CG-CG1 3.81Å; K6-E54 PolarHBondContact N-O 3.07Å; K6-L55 HydrophobicContact CB-CD2 3.95Å; K6-L55 CarbonylContact O-C 3.55Å; K6-L55 WeakPolarHBondContact O-CA 3.33Å; K6-A56 PolarHBondContact O-N 2.83Å; K6-D78 WeakPolarHBondContact CA-OD2 3.07Å; K6-D78 HydrophobicContact CB-CB 4.4Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.18Å; K6-D78 WeakPolarHBondContact CD-OD2 3.48Å; K6-D78 IonicContact NZ-OD1 2.96Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K6-A178 HydrophobicContact CB-CB 4.33Å; K6-A178 HydrophobicContact CD-CB 4.03Å; K6-A178 WeakPolarHBondContact CE-O 3.21Å; K6-A178 HydrophobicContact CG-CB 4.14Å; K6-A178 PolarHBondContact NZ-O 3.49Å
7K98.4Very high91.3Very high25 Ų2547.1 Ų47.111%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-96.3123.5176.1177.4171.7170.6174.30110.2V9 A56 W58 S73 P75 D78 V79K7-V9 HydrophobicContact CG-CG2 4.45Å; K7-A56 WeakPolarHBondContact CA-O 3.23Å; K7-W58 HydrophobicContact CD-CD2 4.43Å; K7-W58 HydrophobicContact CD-CZ2 4.47Å; K7-W58 VanDerWaalsContact CE-CD2 3.47Å; K7-W58 VanDerWaalsContact CE-CE2 3.44Å; K7-W58 HydrophobicContact CG-CG 4.43Å; K7-S73 WeakPolarHBondContact CE-O 3.33Å; K7-S73 PolarHBondContact NZ-O 3.07Å; K7-P75 PolarHBondContact NZ-O 3.15Å; K7-D78 PolarHBondContact N-OD2 2.91Å; K7-D78 WeakPolarHBondContact O-CA 3.45Å; K7-D78 WeakPolarHBondContact O-CB 3.35Å; K7-D78 PolarHBondContact O-N 3.37Å; K7-V79 PolarHBondContact O-N 2.85Å
8L98.8Very high91.7Very high0 Ų045.1 Ų45.10%027%0.267CS..EExtended strand (participates in β ladder)trans-113.2127.4173.6179.4158.1000108.4I10 L22 A56 L57 W58 V79 L81 F171 A174L8-I10 HydrophobicContact CD2-CB 4.46Å; L8-L22 HydrophobicContact CD2-CD2 4.31Å; L8-A56 PolarHBondContact N-O 3.43Å; L8-L57 HydrophobicContact CB-CD2 4.09Å; L8-L57 HydrophobicContact CD1-CD2 4.19Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L8-W58 PolarHBondContact O-N 3.08Å; L8-V79 WeakPolarHBondContact CA-O 3.49Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.93Å; L8-L81 HydrophobicContact CD1-CD1 3.97Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.43Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.91Å; L8-L81 HydrophobicContact CG-CD1 4.42Å; L8-L81 HydrophobicContact CG-CG 4.09Å; L8-F171 HydrophobicContact CD1-CD1 3.95Å; L8-F171 HydrophobicContact CD1-CE1 4.08Å; L8-A174 HydrophobicContact CD1-CB 3.93Å
9V98.9Very high92.1Very high0 Ų044.2 Ų44.20%026%0.262CS..EExtended strand (participates in β ladder)trans-111.2132.9170.7177.80000108.5K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81K7-V9 HydrophobicContact CG-CG2 4.45Å; V9-V11 HydrophobicContact CG1-CG1 4.17Å; V9-W58 HydrophobicContact CB-CB 4.29Å; V9-W58 HydrophobicContact CG1-CB 4.45Å; V9-W58 HydrophobicContact CG2-CB 3.75Å; V9-W58 HydrophobicContact CG2-CG 4.14Å; V9-T60 HydrophobicContact CG1-CG2 3.81Å; V9-S73 WeakPolarHBondContact CG2-O 3.37Å; V9-Y74 HydrophobicContact CG1-CD1 4.04Å; V9-Y74 HydrophobicContact CG1-CE1 3.88Å; V9-T77 HydrophobicContact CB-CG2 4.03Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 VanDerWaalsContact CG2-OG1 3.26Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.45Å; V9-V79 PolarHBondContact N-O 2.97Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.35Å; V9-L81 PolarHBondContact O-N 2.66Å
10I98.9Very high92.4Very high0 Ų043.2 Ų43.20%026%0.257CS..EExtended strand (participates in β ladder)trans-104135.2174.7-169.7164.5000110L8 K18 L21 L22 W58 T60 L81 C83L8-I10 HydrophobicContact CD2-CB 4.46Å; I10-K18 HydrophobicContact CD1-CB 3.72Å; I10-K18 HydrophobicContact CD1-CG 4.01Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.02Å; I10-K18 HydrophobicContact CG1-CG 3.87Å; I10-K18 HydrophobicContact CG2-CB 4.09Å; I10-K18 HydrophobicContact CG2-CD 4.45Å; I10-L21 HydrophobicContact CD1-CD2 4.2Å; I10-L22 HydrophobicContact CD1-CD2 4.41Å; I10-L22 HydrophobicContact CD1-CG 4.41Å; I10-L22 HydrophobicContact CG2-CD1 3.62Å; I10-L22 HydrophobicContact CG2-CD2 4.34Å; I10-L22 HydrophobicContact CG2-CG 4.11Å; I10-W58 WeakPolarHBondContact CG2-O 3.41Å; I10-W58 PolarHBondContact N-O 2.79Å; I10-W58 VanDerWaalsContact N-O 3.1Å; I10-T60 WeakPolarHBondContact O-CG2 3.48Å; I10-T60 PolarHBondContact O-OG1 3.13Å; I10-L81 CarbonylContact C-O 3.45Å; I10-L81 VanDerWaalsContact CA-O 3.3Å; I10-L81 WeakPolarHBondContact CA-O 3.21Å; I10-L81 HydrophobicContact CB-CB 4.11Å; I10-L81 HydrophobicContact CD1-CB 4.2Å; I10-L81 HydrophobicContact CD1-CD1 4.24Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; I10-C83 WeakPolarHBondContact CD1-SG 3.5Å
11V98.8Very high92.7Very high0 Ų041.1 Ų41.10%024%0.244CC..EExtended strand (participates in β ladder)trans-135.4165.5178.1-57.90000110.4V9 K18 Y74 I80 L81 M82 C83 W99 V103V9-V11 HydrophobicContact CG1-CG1 4.17Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; V11-Y74 HydrophobicContact CG1-CE1 3.81Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.35Å; V11-I80 HydrophobicContact CG2-CG2 4.09Å; V11-L81 PolarHBondContact N-O 2.92Å; V11-M82 HydrophobicContact CG2-CB 4.31Å; V11-M82 HydrophobicContact CG2-CE 4.18Å; V11-M82 HydrophobicContact CG2-CG 4.19Å; V11-C83 PolarHBondContact O-N 3.1Å; V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.26Å; V11-W99 HydrophobicContact CG2-CB 4.5Å; V11-W99 HydrophobicContact CG2-CE3 4.3Å; V11-V103 HydrophobicContact CG1-CG2 4.48Å; V11-V103 HydrophobicContact CG2-CG2 3.87Å
12G98.8Very high95Very high0 Ų029.5 Ų29.50%019%0.187CC..  trans138.5168.6-174.100000111.7K18 G62 C83 W99G12-K18 WeakPolarHBondContact O-CE 3.43Å; G12-K18 PolarHBondContact O-NZ 2.91Å; G12-G62 VanDerWaalsContact O-CA 3.24Å; G12-G62 WeakPolarHBondContact O-CA 3.48Å; G12-C83 VanDerWaalsContact CA-O 3.28Å; G12-C83 WeakPolarHBondContact CA-O 3.46Å; G12-W99 VanDerWaalsContact CA-CE2 3.42Å; G12-W99 WeakPolarHBondContact O-CH2 3.38Å; G12-W99 WeakPolarHBondContact O-CZ2 3.4Å
13D98.5Very high96.9Very high24 Ų2425.8 Ų25.813%0.12815%0.153CC..  trans-56.3161.4-174.8-805.1000114.4C16 K18 S91 N94 W99D13-C16 PolarHBondContact O-SG 3.37Å; D13-K18 PolarHBondContact O-NZ 2.89Å; D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.21Å; D13-N94 PolarHBondContact OD1-ND2 3.08Å; D13-N94 PolarHBondContact OD2-ND2 3.21Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.16Å; D13-W99 PolarHBondContact OD1-NE1 2.99Å
14G96Very high97.9Very high36 Ų3623 Ų2337%0.37113%0.129SC..THydrogen-bonded Turntrans-53143.7165.800000110.6C16 G62G14-C16 PolarHBondContact O-N 2.96Å; G14-G62 PolarHBondContact N-O 2.73Å
15A96Very high98.1Very high52 Ų5221.6 Ų21.643%0.4312%0.121SC..THydrogen-bonded Turntrans58.98.7175.900000117.7G17 Y34 K118A15-G17 PolarHBondContact O-N 2.85Å; A15-Y34 HydrophobicContact CB-CE2 4.49Å; A15-Y34 PolarHBondContact N-OH 2.87Å; A15-K118 WeakPolarHBondContact O-CE 3.28Å; A15-K118 PolarHBondContact O-NZ 2.86Å
16C98Very high98.1Very high1 Ų115.7 Ų15.71%0.00710%0.104CC..SBendtrans-72.7-5.5171.875.20000113.6D13 G14 K18 C83 N117D13-C16 PolarHBondContact O-SG 3.37Å; G14-C16 PolarHBondContact O-N 2.96Å; C16-K18 VanDerWaalsContact SG-CG 3.57Å; C16-C83 PolarHBondContact SG-O 2.91Å; C16-C83 VanDerWaalsContact SG-O 3.4Å; C16-N117 PolarHBondContact O-ND2 2.95Å
17G98.2Very high98Very high13 Ų1321 Ų2113%0.13413%0.126CC..SBendtrans93.123.1170.900000115.8A15 T19 C20 L21 N117A15-G17 PolarHBondContact O-N 2.85Å; G17-T19 PolarHBondContact O-N 3.05Å; G17-C20 PolarHBondContact O-N 2.82Å; G17-L21 WeakPolarHBondContact O-CB 3.39Å; G17-L21 PolarHBondContact O-N 3.16Å; G17-N117 WeakPolarHBondContact CA-ND2 3.25Å; G17-N117 PolarHBondContact O-ND2 2.8Å
18K98.6Very high97.9Very high11 Ų1124.9 Ų24.95%0.04815%0.149CC..Hα-helixtrans-49.9-55.8174.8-57.8-174.1-61.8-72.90112.7I10 V11 G12 D13 C16 C20 L21 L22 T60 C83I10-K18 HydrophobicContact CD1-CB 3.72Å; I10-K18 HydrophobicContact CD1-CG 4.01Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.02Å; I10-K18 HydrophobicContact CG1-CG 3.87Å; I10-K18 HydrophobicContact CG2-CB 4.09Å; I10-K18 HydrophobicContact CG2-CD 4.45Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; G12-K18 WeakPolarHBondContact O-CE 3.43Å; G12-K18 PolarHBondContact O-NZ 2.91Å; D13-K18 PolarHBondContact O-NZ 2.89Å; C16-K18 VanDerWaalsContact SG-CG 3.57Å; K18-C20 PolarHBondContact O-N 2.89Å; K18-L21 WeakPolarHBondContact O-CB 3.37Å; K18-L21 PolarHBondContact O-N 3.08Å; K18-L21 VanDerWaalsContact O-N 3.14Å; K18-L22 PolarHBondContact O-N 2.7Å; K18-T60 WeakPolarHBondContact CE-O 3.4Å; K18-C83 HydrophobicContact CG-CB 4.17Å
19T98.3Very high97.7Very high28 Ų2831.2 Ų31.217%0.17218%0.178CC..Hα-helixtrans-59.9-46.7-179.6-46.50000111.8G17 L21 L22 I23 T37 D59G17-T19 PolarHBondContact O-N 3.05Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.85Å; T19-L22 PolarHBondContact O-N 2.84Å; T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.37Å; T19-I23 WeakPolarHBondContact O-CB 3.42Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 2.8Å; T19-T37 PolarHBondContact OG1-OG1 3.37Å; T19-D59 WeakPolarHBondContact CA-OD2 3.39Å; T19-D59 WeakPolarHBondContact CB-OD2 3.49Å; T19-D59 VanDerWaalsContact CG2-OD2 3.28Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.27Å; T19-D59 PolarHBondContact OG1-OD2 3Å
20C98.3Very high97.5Very high24 Ų2434.8 Ų34.816%0.16219%0.194CC..Hα-helixtrans-58.9-42.2175.9-55.70000111.7G17 K18 I23 V24 F30 P31 A161G17-C20 PolarHBondContact O-N 2.82Å; K18-C20 PolarHBondContact O-N 2.89Å; C20-I23 PolarHBondContact O-N 2.76Å; C20-V24 VanDerWaalsContact O-CB 3.3Å; C20-V24 WeakPolarHBondContact O-CB 3.44Å; C20-V24 WeakPolarHBondContact O-CG2 3.26Å; C20-V24 PolarHBondContact O-N 3.31Å; C20-F30 HydrophobicContact CB-CD2 4.2Å; C20-F30 HydrophobicContact CB-CE2 3.71Å; C20-F30 HydrophobicContact CB-CZ 4.42Å; C20-P31 HydrophobicContact CB-CG 4.21Å; C20-A161 HydrophobicContact CB-CB 3.93Å
21L98.7Very high97.2Very high0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-63.6-44.2179.4-175.462.2000111.8I10 G17 K18 T19 F25 V115 A161 V167 F171I10-L21 HydrophobicContact CD1-CD2 4.2Å; G17-L21 WeakPolarHBondContact O-CB 3.39Å; G17-L21 PolarHBondContact O-N 3.16Å; K18-L21 WeakPolarHBondContact O-CB 3.37Å; K18-L21 PolarHBondContact O-N 3.08Å; K18-L21 VanDerWaalsContact O-N 3.14Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.85Å; L21-F25 WeakPolarHBondContact O-CB 3.23Å; L21-F25 PolarHBondContact O-N 3.25Å; L21-F25 VanDerWaalsContact O-N 3.09Å; L21-V115 HydrophobicContact CD2-CG1 4.18Å; L21-A161 HydrophobicContact CB-CB 4.35Å; L21-A161 HydrophobicContact CD1-CB 4.4Å; L21-V167 HydrophobicContact CD1-CB 4.26Å; L21-V167 HydrophobicContact CD1-CG1 3.9Å; L21-V167 HydrophobicContact CD1-CG2 3.76Å; L21-F171 HydrophobicContact CD1-CE2 4.19Å; L21-F171 HydrophobicContact CG-CE2 3.99Å; L21-F171 HydrophobicContact CG-CZ 4.15Å
22L98.7Very high96.8Very high0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-65.8-44.2176.4-66.7-176.5000112.3L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171L8-L22 HydrophobicContact CD2-CD2 4.31Å; I10-L22 HydrophobicContact CD1-CD2 4.41Å; I10-L22 HydrophobicContact CD1-CG 4.41Å; I10-L22 HydrophobicContact CG2-CD1 3.62Å; I10-L22 HydrophobicContact CG2-CD2 4.34Å; I10-L22 HydrophobicContact CG2-CG 4.11Å; K18-L22 PolarHBondContact O-N 2.7Å; T19-L22 PolarHBondContact O-N 2.84Å; L22-F25 PolarHBondContact O-N 2.95Å; L22-S26 WeakPolarHBondContact O-CB 3.35Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.69Å; L22-Y42 HydrophobicContact CB-CD2 4.42Å; L22-Y42 HydrophobicContact CD1-CD2 4.25Å; L22-Y42 HydrophobicContact CD1-CE2 4.43Å; L22-L57 HydrophobicContact CD2-CB 4.1Å; L22-L57 HydrophobicContact CD2-CD1 4.23Å; L22-L57 HydrophobicContact CD2-CD2 4.34Å; L22-L57 HydrophobicContact CD2-CG 4.46Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; L22-F171 HydrophobicContact CD2-CE1 3.88Å; L22-F171 HydrophobicContact CD2-CZ 3.88Å
23I97.4Very high96.4Very high23 Ų2350.8 Ų50.812%0.11828%0.279CS..Hα-helixtrans-65.7-45.1179.9-68.2172.9000110.3T19 C20 F25 S26 K27 Q29 P31 Y42T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.37Å; T19-I23 WeakPolarHBondContact O-CB 3.42Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 2.8Å; C20-I23 PolarHBondContact O-N 2.76Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 2.85Å; I23-S26 PolarHBondContact O-N 2.72Å; I23-S26 PolarHBondContact O-OG 3.45Å; I23-K27 HydrophobicContact CG2-CB 4.41Å; I23-K27 HydrophobicContact CG2-CD 4.3Å; I23-K27 WeakPolarHBondContact O-CA 3.4Å; I23-K27 WeakPolarHBondContact O-CB 3.44Å; I23-K27 PolarHBondContact O-N 2.85Å; I23-Q29 WeakPolarHBondContact CG2-O 3.49Å; I23-P31 HydrophobicContact CD1-CB 4.44Å; I23-P31 HydrophobicContact CD1-CG 4.1Å; I23-Y42 HydrophobicContact CG1-CE1 4Å
24V98.4Very high95.8Very high5 Ų556.1 Ų56.13%0.0330%0.298CS..Hα-helixtrans-61.8-41.2178169.50000110.8C20 D28 Q29 F30 A161 K164 V167C20-V24 VanDerWaalsContact O-CB 3.3Å; C20-V24 WeakPolarHBondContact O-CB 3.44Å; C20-V24 WeakPolarHBondContact O-CG2 3.26Å; C20-V24 PolarHBondContact O-N 3.31Å; V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 3.21Å; V24-Q29 WeakPolarHBondContact CG2-O 3.26Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.88Å; V24-F30 HydrophobicContact CG2-CG 4.45Å; V24-A161 HydrophobicContact CG2-CB 4.26Å; V24-A161 VanDerWaalsContact CG2-O 3.28Å; V24-A161 WeakPolarHBondContact CG2-O 3.44Å; V24-K164 HydrophobicContact CG1-CB 4.35Å; V24-K164 HydrophobicContact CG1-CD 4.48Å; V24-K164 HydrophobicContact CG1-CG 3.83Å; V24-V167 HydrophobicContact CG1-CG1 4.28Å; V24-V167 HydrophobicContact CG1-CG2 4.3Å
25F98.4Very high95.4Very high38 Ų3859.2 Ų59.217%0.16731%0.31CS..Hα-helixtrans-67-44.9176.6172.6-114.1000113L21 L22 I23 A44 I46 L55 L57 V167 F171L21-F25 WeakPolarHBondContact O-CB 3.23Å; L21-F25 PolarHBondContact O-N 3.25Å; L21-F25 VanDerWaalsContact O-N 3.09Å; L22-F25 PolarHBondContact O-N 2.95Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 2.85Å; F25-A44 HydrophobicContact CD1-CB 4Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.17Å; F25-I46 HydrophobicContact CE2-CD1 4.01Å; F25-I46 HydrophobicContact CZ-CB 4.15Å; F25-I46 HydrophobicContact CZ-CD1 3.95Å; F25-I46 HydrophobicContact CZ-CG1 4.45Å; F25-L55 HydrophobicContact CE1-CD1 3.81Å; F25-L55 HydrophobicContact CZ-CD1 3.98Å; F25-L57 HydrophobicContact CD1-CD1 3.87Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; F25-L57 HydrophobicContact CE1-CD2 4.48Å; F25-V167 HydrophobicContact CB-CG1 3.95Å; F25-F171 HydrophobicContact CB-CD2 3.63Å; F25-F171 HydrophobicContact CB-CE1 4.35Å; F25-F171 HydrophobicContact CB-CE2 3.31Å; F25-F171 HydrophobicContact CB-CG 4.3Å; F25-F171 HydrophobicContact CB-CZ 3.71Å; F25-F171 HydrophobicContact CD1-CB 4.33Å; F25-F171 AromaticContact CD1-CD1 3.45Å; F25-F171 HydrophobicContact CD1-CD1 3.45Å; F25-F171 VanDerWaalsContact CD1-CD1 3.45Å; F25-F171 AromaticContact CD1-CD2 3.81Å; F25-F171 HydrophobicContact CD1-CD2 3.81Å; F25-F171 AromaticContact CD1-CE1 3.57Å; F25-F171 HydrophobicContact CD1-CE1 3.57Å; F25-F171 AromaticContact CD1-CE2 3.95Å; F25-F171 HydrophobicContact CD1-CE2 3.95Å; F25-F171 AromaticContact CD1-CG 3.57Å; F25-F171 HydrophobicContact CD1-CG 3.57Å; F25-F171 AromaticContact CD1-CZ 3.83Å; F25-F171 HydrophobicContact CD1-CZ 3.83Å; F25-F171 HydrophobicContact CD2-CB 3.86Å; F25-F171 HydrophobicContact CD2-CD1 4.36Å; F25-F171 AromaticContact CD2-CD2 3.44Å; F25-F171 HydrophobicContact CD2-CD2 3.44Å; F25-F171 VanDerWaalsContact CD2-CD2 3.44Å; F25-F171 HydrophobicContact CD2-CE2 4.08Å; F25-F171 AromaticContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CE1-CB 4Å; F25-F171 AromaticContact CE1-CD1 3.53Å; F25-F171 HydrophobicContact CE1-CD1 3.53Å; F25-F171 HydrophobicContact CE1-CD2 4.34Å; F25-F171 HydrophobicContact CE1-CE1 4.07Å; F25-F171 AromaticContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE2-CB 3.51Å; F25-F171 HydrophobicContact CE2-CD1 4.44Å; F25-F171 HydrophobicContact CE2-CD2 4.03Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.26Å; F25-F171 AromaticContact CG-CD1 3.89Å; F25-F171 HydrophobicContact CG-CD1 3.89Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CE1 4.03Å; F25-F171 AromaticContact CG-CE2 3.51Å; F25-F171 HydrophobicContact CG-CE2 3.51Å; F25-F171 AromaticContact CG-CG 3.54Å; F25-F171 HydrophobicContact CG-CG 3.54Å; F25-F171 AromaticContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CZ-CB 3.59Å; F25-F171 HydrophobicContact CZ-CD1 4.05Å; F25-F171 HydrophobicContact CZ-CD2 4.44Å; F25-F171 AromaticContact CZ-CG 3.77Å; F25-F171 HydrophobicContact CZ-CG 3.77Å
26S96.7Very high95.2Very high32 Ų3259.5 Ų59.522%0.22431%0.308CS..Hα-helixtrans-83.5-27.9-173.357.60000114.5L22 I23L22-S26 WeakPolarHBondContact O-CB 3.35Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.69Å; I23-S26 PolarHBondContact O-N 2.72Å; I23-S26 PolarHBondContact O-OG 3.45Å
27K95.5Very high94.9Very high128 Ų12860.2 Ų60.256%0.55731%0.312SS*.Hα-helixtrans-125.7-1.2-172.2-59.5-177.3-176.2174.10113.8I23 Q29I23-K27 HydrophobicContact CG2-CB 4.41Å; I23-K27 HydrophobicContact CG2-CD 4.3Å; I23-K27 WeakPolarHBondContact O-CA 3.4Å; I23-K27 WeakPolarHBondContact O-CB 3.44Å; I23-K27 PolarHBondContact O-N 2.85Å; K27-Q29 PolarHBondContact O-N 3.33Å; K27-Q29 VanDerWaalsContact O-N 3.08Å
28D95.3Very high94.6Very high107 Ų10763.2 Ų63.257%0.57233%0.327SS*.SBendtrans55.125-178.8-161.343.6000114.5V24 K164V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 3.21Å; D28-K164 WeakPolarHBondContact O-CE 3.4Å; D28-K164 PolarHBondContact O-NZ 3.25Å; D28-K164 WeakPolarHBondContact OD1-CE 3.37Å; D28-K164 IonicContact OD1-NZ 3.24Å; D28-K164 PolarHBondContact OD1-NZ 3.16Å; D28-K164 IonicContact OD2-NZ 3.58Å; D28-K164 PolarHBondContact OD2-NZ 3.4Å
29Q94.8Very high94.3Very high134 Ų13466.4 Ų66.463%0.62634%0.342SS*.  trans-129135.3-178.6-173177.134.900110.5I23 V24 K27I23-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-Q29 WeakPolarHBondContact CG2-O 3.26Å; K27-Q29 PolarHBondContact O-N 3.33Å; K27-Q29 VanDerWaalsContact O-N 3.08Å
30F95.2Very high94.1Very high74 Ų7469.3 Ų69.333%0.32535%0.353SS..  trans-88.2126171-174-95.8000109.9C20 V24 A161 K162C20-F30 HydrophobicContact CB-CD2 4.2Å; C20-F30 HydrophobicContact CB-CE2 3.71Å; C20-F30 HydrophobicContact CB-CZ 4.42Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.88Å; V24-F30 HydrophobicContact CG2-CG 4.45Å; F30-A161 HydrophobicContact CD2-CB 4.22Å; F30-A161 WeakPolarHBondContact CD2-O 3.08Å; F30-A161 HydrophobicContact CE2-CB 4.05Å; F30-K162 VanDerWaalsContact CD2-CA 3.47Å; F30-K162 HydrophobicContact CD2-CB 4.21Å; F30-K162 HydrophobicContact CE2-CB 3.89Å; F30-K162 HydrophobicContact CZ-CB 4.15Å; F30-K162 HydrophobicContact CZ-CG 4.41Å
31P93.5Very high94Very high34 Ų3472.2 Ų72.222%0.22137%0.367CS..  trans-73.7129.3176.730.7-34.4000110.8C20 I23C20-P31 HydrophobicContact CB-CG 4.21Å; I23-P31 HydrophobicContact CD1-CB 4.44Å; I23-P31 HydrophobicContact CD1-CG 4.1Å
32E90.2Very high93.9Very high188 Ų18873.3 Ų73.388%0.87937%0.371SS*.SBendtrans-84.5-18.2179.7-63.2-173.2167.500113.4
33V90Very high93.7Very high115 Ų11577.1 Ų77.170%0.69739%0.394SS*.SBendtrans-106.3127.1-179.4-177.70000109.6V35V33-V35 HydrophobicContact CG1-CG2 4.3Å
34Y84.9Confident93.7Very high135 Ų13576.4 Ų76.453%0.52939%0.392SS..  trans-88.5123173.8177.1-112.4000111.2A15 P36A15-Y34 HydrophobicContact CB-CE2 4.49Å; A15-Y34 PolarHBondContact N-OH 2.87Å; Y34-P36 HydrophobicContact CE1-CG 3.86Å
35V88.4Confident93.6Very high101 Ų10182 Ų8261%0.61242%0.422SS*.  trans-125.6123.9169-178.70000107.6V33 T37V33-V35 HydrophobicContact CG1-CG2 4.3Å; V35-T37 PolarHBondContact O-N 3.18Å
36P92Very high93.5Very high59 Ų5980.7 Ų80.738%0.38342%0.417SS..  trans-58.2124.1174.6-23.232.6000111.1Y34 Q63Y34-P36 HydrophobicContact CE1-CG 3.86Å; P36-Q63 VanDerWaalsContact CB-NE2 3.27Å
37T92.1Very high93.5Very high15 Ų1584 Ų849%0.09243%0.429CS..  trans-78.7135-178.6-63.60000110.4T19 V35 E40 D59 A61T19-T37 PolarHBondContact OG1-OG1 3.37Å; V35-T37 PolarHBondContact O-N 3.18Å; T37-E40 HydrophobicContact CG2-CG 4.2Å; T37-D59 HydrophobicContact CG2-CB 4.28Å; T37-A61 WeakPolarHBondContact O-CA 3.16Å; T37-A61 WeakPolarHBondContact O-CB 3.44Å
38V90.1Very high93.5Very high76 Ų7678.1 Ų78.146%0.46140%0.403SS..SBendtrans-84.4-61.6165.2176.30000108.7A61 Y66V38-A61 WeakPolarHBondContact O-CB 3.48Å; V38-A61 PolarHBondContact O-N 2.89Å; V38-A61 VanDerWaalsContact O-N 3.16Å; V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.85Å; V38-Y66 HydrophobicContact CG1-CE1 3.48Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.48Å; V38-Y66 HydrophobicContact CG2-CE1 3.86Å; V38-Y66 HydrophobicContact CG2-CE2 4.5Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.16Å
39F92.3Very high93.4Very high79 Ų7978.1 Ų78.135%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-167.2133.3177.1172.4-107.6000109.2N41 W58 D59 S73F39-N41 VanDerWaalsContact CE1-ND2 3.25Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.39Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.37Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.38Å; F39-W58 HydrophobicContact CE1-CE3 4.49Å; F39-W58 HydrophobicContact CE1-CZ3 4.34Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.07Å; F39-W58 AromaticContact CE2-CE3 3.33Å; F39-W58 HydrophobicContact CE2-CE3 3.33Å; F39-W58 AromaticContact CE2-CZ3 3.89Å; F39-W58 HydrophobicContact CE2-CZ3 3.89Å; F39-W58 AromaticContact CZ-CD2 3.95Å; F39-W58 HydrophobicContact CZ-CD2 3.95Å; F39-W58 AromaticContact CZ-CE3 3.23Å; F39-W58 HydrophobicContact CZ-CE3 3.23Å; F39-W58 HydrophobicContact CZ-CH2 4.22Å; F39-W58 AromaticContact CZ-CZ3 3.38Å; F39-W58 HydrophobicContact CZ-CZ3 3.38Å; F39-D59 WeakPolarHBondContact CA-O 3.38Å; F39-D59 WeakPolarHBondContact CD2-O 3.43Å; F39-S73 WeakPolarHBondContact CE2-OG 3.17Å
40E95.3Very high93.3Very high88 Ų8874.7 Ų74.741%0.41140%0.404SS..EExtended strand (participates in β ladder)trans-142.3153.7175.4-68.2-171.4-163.400111.2T37 Y42 D59T37-E40 HydrophobicContact CG2-CG 4.2Å; E40-Y42 HydrophobicContact CB-CE2 3.86Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.29Å; E40-Y42 PolarHBondContact OE2-OH 2.92Å; E40-D59 HydrophobicContact CB-CB 4.18Å; E40-D59 PolarHBondContact N-O 2.88Å; E40-D59 PolarHBondContact O-N 2.71Å
41N95.5Very high93.3Very high86 Ų8676 Ų7646%0.4641%0.409SS..EExtended strand (participates in β ladder)trans-121.2135.5176.1-72.7-50.8000110.8F39 L57 W58F39-N41 VanDerWaalsContact CE1-ND2 3.25Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.39Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.37Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.38Å; N41-L57 WeakPolarHBondContact CA-O 3.34Å; N41-W58 VanDerWaalsContact OD1-CD2 3.22Å
42Y96.2Very high93.4Very high23 Ų2379.6 Ų79.69%0.0942%0.423CS..EExtended strand (participates in β ladder)trans-125162.3172.4-53.1-95.1000110L22 I23 E40 L57 D59L22-Y42 HydrophobicContact CB-CD2 4.42Å; L22-Y42 HydrophobicContact CD1-CD2 4.25Å; L22-Y42 HydrophobicContact CD1-CE2 4.43Å; I23-Y42 HydrophobicContact CG1-CE1 4Å; E40-Y42 HydrophobicContact CB-CE2 3.86Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.29Å; E40-Y42 PolarHBondContact OE2-OH 2.92Å; Y42-L57 PolarHBondContact N-O 3.23Å; Y42-L57 PolarHBondContact O-N 2.88Å; Y42-D59 HydrophobicContact CE2-CB 4.2Å
43V96.2Very high93.8Very high79 Ų7970.7 Ų70.748%0.47938%0.381SS..EExtended strand (participates in β ladder)trans-126.1137.6170.1-179.10000107.7E54 L55V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å; V43-L55 WeakPolarHBondContact CA-O 3.49Å
44A96.8Very high94.2Very high9 Ų967.7 Ų67.77%0.07436%0.36CS..EExtended strand (participates in β ladder)trans-143.1137.1174.600000109.9F25 L55 L57F25-A44 HydrophobicContact CD1-CB 4Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.17Å; A44-L55 PolarHBondContact N-O 2.85Å; A44-L55 WeakPolarHBondContact O-CB 3.26Å; A44-L55 PolarHBondContact O-N 3.18Å; A44-L57 HydrophobicContact CB-CD1 3.96Å
45D96.2Very high94.8Very high122 Ų12261.3 Ų61.365%0.65234%0.335SS*.EExtended strand (participates in β ladder)trans-90137.2173.1-65.9-48.7000110.2
46I96.8Very high95.3Very high11 Ų1156.8 Ų56.86%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-142.9138.3176.3-168.4175.9000110.8F25 V48 V53 L55 F171 E172 T175F25-I46 HydrophobicContact CE2-CD1 4.01Å; F25-I46 HydrophobicContact CZ-CB 4.15Å; F25-I46 HydrophobicContact CZ-CD1 3.95Å; F25-I46 HydrophobicContact CZ-CG1 4.45Å; I46-V48 HydrophobicContact CD1-CG2 3.95Å; I46-V48 HydrophobicContact CG1-CG2 3.98Å; I46-V48 HydrophobicContact CG2-CG2 4.41Å; I46-V53 HydrophobicContact CG2-CB 4.19Å; I46-V53 PolarHBondContact N-O 2.91Å; I46-V53 PolarHBondContact O-N 3.19Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.98Å; I46-F171 HydrophobicContact CD1-CB 4.11Å; I46-E172 HydrophobicContact CD1-CG 3.84Å; I46-T175 HydrophobicContact CG2-CG2 4.06Å
47E95.5Very high95.6Very high102 Ų10254 Ų5448%0.47729%0.29SS..EExtended strand (participates in β ladder)trans-95.9123.2169.8-168.5-179.5157.300110.2K51 Q52E47-K51 WeakPolarHBondContact CA-O 3.37Å; E47-Q52 VanDerWaalsContact CD-NE2 3.35Å; E47-Q52 PolarHBondContact OE2-NE2 3.12Å
48V95.9Very high95.9Very high3 Ų356.3 Ų56.32%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-132.5123.8176.3178.70000109.7I46 G50 K51 E172 T175 R176 L179I46-V48 HydrophobicContact CD1-CG2 3.95Å; I46-V48 HydrophobicContact CG1-CG2 3.98Å; I46-V48 HydrophobicContact CG2-CG2 4.41Å; V48-G50 PolarHBondContact O-N 3.19Å; V48-K51 PolarHBondContact N-O 2.82Å; V48-K51 WeakPolarHBondContact O-CB 3.27Å; V48-K51 PolarHBondContact O-N 3.22Å; V48-E172 HydrophobicContact CG2-CB 4.36Å; V48-E172 HydrophobicContact CG2-CG 4.23Å; V48-T175 HydrophobicContact CB-CG2 4Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.09Å; V48-L179 HydrophobicContact CB-CD1 4.46Å
49D94Very high96.3Very high108 Ų10852.7 Ų52.758%0.57828%0.275SS*.THydrogen-bonded Turntrans52.142.6178.3-49.9-22.9000112.2K51 R176D49-K51 VanDerWaalsContact C-N 3.27Å; D49-K51 PolarHBondContact O-N 3.4Å; D49-R176 IonicContact OD1-CZ 3.2Å; D49-R176 IonicContact OD1-NE 2.68Å; D49-R176 PolarHBondContact OD1-NE 2.83Å; D49-R176 IonicContact OD1-NH2 3.24Å; D49-R176 PolarHBondContact OD1-NH2 3.16Å; D49-R176 IonicContact OD2-CZ 3.76Å; D49-R176 IonicContact OD2-NE 2.85Å; D49-R176 PolarHBondContact OD2-NE 2.67Å; D49-R176 IonicContact OD2-NH2 3.83Å
50G93.1Very high96.6Very high62 Ų6249 Ų4964%0.63926%0.259SS*.THydrogen-bonded Turntrans75.36.3-178.900000115.2V48V48-G50 PolarHBondContact O-N 3.19Å
51K94.3Very high96.6Very high101 Ų10144.9 Ų44.944%0.43924%0.241SC..EExtended strand (participates in β ladder)trans-106.4123.8178.8-62176.5-174.3170.70110.2I4 E47 V48 D49 V53 L179I4-K51 HydrophobicContact CD1-CB 4.15Å; I4-K51 HydrophobicContact CD1-CD 4.18Å; I4-K51 HydrophobicContact CD1-CG 4.38Å; E47-K51 WeakPolarHBondContact CA-O 3.37Å; V48-K51 PolarHBondContact N-O 2.82Å; V48-K51 WeakPolarHBondContact O-CB 3.27Å; V48-K51 PolarHBondContact O-N 3.22Å; D49-K51 VanDerWaalsContact C-N 3.27Å; D49-K51 PolarHBondContact O-N 3.4Å; K51-V53 HydrophobicContact CB-CG2 4.49Å; K51-L179 HydrophobicContact CD-CD1 4.17Å; K51-L179 HydrophobicContact CD-CD2 4.41Å
52Q96.3Very high96.6Very high109 Ų10941.3 Ų41.351%0.50922%0.224SC..EExtended strand (participates in β ladder)trans-76.3122.5169.7-62.9-62.2-13.100109.8E47E47-Q52 VanDerWaalsContact CD-NE2 3.35Å; E47-Q52 PolarHBondContact OE2-NE2 3.12Å
53V97.7Very high96.4Very high1 Ų143.5 Ų43.51%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-125.3126.2-177.7-175.60000110.1I4 K6 I46 K51 L55 T175 L179I4-V53 HydrophobicContact CB-CG2 4.33Å; I4-V53 HydrophobicContact CG2-CG1 4.47Å; I4-V53 HydrophobicContact CG2-CG2 4.3Å; I4-V53 CarbonylContact O-C 3.58Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.4Å; I4-V53 WeakPolarHBondContact O-CG1 3.42Å; K6-V53 HydrophobicContact CB-CG1 3.92Å; K6-V53 HydrophobicContact CG-CG1 3.81Å; I46-V53 HydrophobicContact CG2-CB 4.19Å; I46-V53 PolarHBondContact N-O 2.91Å; I46-V53 PolarHBondContact O-N 3.19Å; K51-V53 HydrophobicContact CB-CG2 4.49Å; V53-L55 HydrophobicContact CG1-CD2 4.35Å; V53-L55 HydrophobicContact CG1-CG 4.49Å; V53-T175 HydrophobicContact CB-CG2 3.96Å; V53-T175 HydrophobicContact CG1-CG2 4Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; V53-L179 HydrophobicContact CG2-CD1 4Å; V53-L179 HydrophobicContact CG2-CD2 3.96Å; V53-L179 HydrophobicContact CG2-CG 4.31Å
54E97.8Very high96.2Very high53 Ų5346.5 Ų46.525%0.24824%0.244CC..EExtended strand (participates in β ladder)trans-86.2114.2165.8-174.9-169.989.300108.2I4 R5 K6 V43I4-E54 PolarHBondContact O-N 3.02Å; R5-E54 WeakPolarHBondContact CA-O 3.36Å; R5-E54 WeakPolarHBondContact CD-OE1 3.16Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 2.73Å; R5-E54 IonicContact NE-OE1 3.69Å; R5-E54 PolarHBondContact NE-OE1 2.96Å; R5-E54 IonicContact NH1-OE1 2.89Å; R5-E54 IonicContact NH2-OE1 3.69Å; K6-E54 PolarHBondContact N-O 3.07Å; V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å
55L98.1Very high96.1Very high0 Ų052.7 Ų52.70%028%0.276CS..EExtended strand (participates in β ladder)trans-88.9118.4172.8-71.4172.7000110.1K6 F25 V43 A44 I46 V53 L57 F171 T175K6-L55 HydrophobicContact CB-CD2 3.95Å; K6-L55 CarbonylContact O-C 3.55Å; K6-L55 WeakPolarHBondContact O-CA 3.33Å; F25-L55 HydrophobicContact CE1-CD1 3.81Å; F25-L55 HydrophobicContact CZ-CD1 3.98Å; V43-L55 WeakPolarHBondContact CA-O 3.49Å; A44-L55 PolarHBondContact N-O 2.85Å; A44-L55 WeakPolarHBondContact O-CB 3.26Å; A44-L55 PolarHBondContact O-N 3.18Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.98Å; V53-L55 HydrophobicContact CG1-CD2 4.35Å; V53-L55 HydrophobicContact CG1-CG 4.49Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.19Å; L55-F171 HydrophobicContact CD1-CD1 4.33Å; L55-T175 WeakPolarHBondContact CD1-OG1 3.32Å
56A98.4Very high96.1Very high7 Ų749.9 Ų49.96%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-83.9109.4161.200000108.2K6 K7 L8K6-A56 PolarHBondContact O-N 2.83Å; K7-A56 WeakPolarHBondContact CA-O 3.23Å; L8-A56 PolarHBondContact N-O 3.43Å
57L98.6Very high96.1Very high0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-97.6120.6-175.6-52.5174000109.4L8 L22 F25 N41 Y42 A44 L55 F171L8-L57 HydrophobicContact CB-CD2 4.09Å; L8-L57 HydrophobicContact CD1-CD2 4.19Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L22-L57 HydrophobicContact CD2-CB 4.1Å; L22-L57 HydrophobicContact CD2-CD1 4.23Å; L22-L57 HydrophobicContact CD2-CD2 4.34Å; L22-L57 HydrophobicContact CD2-CG 4.46Å; F25-L57 HydrophobicContact CD1-CD1 3.87Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; F25-L57 HydrophobicContact CE1-CD2 4.48Å; N41-L57 WeakPolarHBondContact CA-O 3.34Å; Y42-L57 PolarHBondContact N-O 3.23Å; Y42-L57 PolarHBondContact O-N 2.88Å; A44-L57 HydrophobicContact CB-CD1 3.96Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.36Å; L57-F171 HydrophobicContact CD2-CE1 4.05Å
58W98.7Very high96.1Very high63 Ų6358.2 Ų58.224%0.23929%0.287CS..EExtended strand (participates in β ladder)trans-109.2105.2-177.6-71.759.3000108.9K7 L8 V9 I10 F39 N41K7-W58 HydrophobicContact CD-CD2 4.43Å; K7-W58 HydrophobicContact CD-CZ2 4.47Å; K7-W58 VanDerWaalsContact CE-CD2 3.47Å; K7-W58 VanDerWaalsContact CE-CE2 3.44Å; K7-W58 HydrophobicContact CG-CG 4.43Å; L8-W58 PolarHBondContact O-N 3.08Å; V9-W58 HydrophobicContact CB-CB 4.29Å; V9-W58 HydrophobicContact CG1-CB 4.45Å; V9-W58 HydrophobicContact CG2-CB 3.75Å; V9-W58 HydrophobicContact CG2-CG 4.14Å; I10-W58 WeakPolarHBondContact CG2-O 3.41Å; I10-W58 PolarHBondContact N-O 2.79Å; I10-W58 VanDerWaalsContact N-O 3.1Å; F39-W58 HydrophobicContact CE1-CE3 4.49Å; F39-W58 HydrophobicContact CE1-CZ3 4.34Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.07Å; F39-W58 AromaticContact CE2-CE3 3.33Å; F39-W58 HydrophobicContact CE2-CE3 3.33Å; F39-W58 AromaticContact CE2-CZ3 3.89Å; F39-W58 HydrophobicContact CE2-CZ3 3.89Å; F39-W58 AromaticContact CZ-CD2 3.95Å; F39-W58 HydrophobicContact CZ-CD2 3.95Å; F39-W58 AromaticContact CZ-CE3 3.23Å; F39-W58 HydrophobicContact CZ-CE3 3.23Å; F39-W58 HydrophobicContact CZ-CH2 4.22Å; F39-W58 AromaticContact CZ-CZ3 3.38Å; F39-W58 HydrophobicContact CZ-CZ3 3.38Å; N41-W58 VanDerWaalsContact OD1-CD2 3.22Å
59D98.3Very high96.1Very high0 Ų062.8 Ų62.80%031%0.311CS..EExtended strand (participates in β ladder)trans-83.5136.3175.7-160.42.3000110.8T19 L22 T37 F39 E40 Y42T19-D59 WeakPolarHBondContact CA-OD2 3.39Å; T19-D59 WeakPolarHBondContact CB-OD2 3.49Å; T19-D59 VanDerWaalsContact CG2-OD2 3.28Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.27Å; T19-D59 PolarHBondContact OG1-OD2 3Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; T37-D59 HydrophobicContact CG2-CB 4.28Å; F39-D59 WeakPolarHBondContact CA-O 3.38Å; F39-D59 WeakPolarHBondContact CD2-O 3.43Å; E40-D59 HydrophobicContact CB-CB 4.18Å; E40-D59 PolarHBondContact N-O 2.88Å; E40-D59 PolarHBondContact O-N 2.71Å; Y42-D59 HydrophobicContact CE2-CB 4.2Å
60T98.2Very high96.2Very high2 Ų257.9 Ų57.91%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-127.6151.8-17472.10000112.9V9 I10 K18 R70V9-T60 HydrophobicContact CG1-CG2 3.81Å; I10-T60 WeakPolarHBondContact O-CG2 3.48Å; I10-T60 PolarHBondContact O-OG1 3.13Å; K18-T60 WeakPolarHBondContact CE-O 3.4Å; T60-R70 HydrophobicContact CG2-CG 4.17Å
61A96.6Very high96.4Very high2 Ų256 Ų562%0.01726%0.261CS..  trans-62.6133.6171.600000112.3T37 V38 Y66 R70T37-A61 WeakPolarHBondContact O-CA 3.16Å; T37-A61 WeakPolarHBondContact O-CB 3.44Å; V38-A61 WeakPolarHBondContact O-CB 3.48Å; V38-A61 PolarHBondContact O-N 2.89Å; V38-A61 VanDerWaalsContact O-N 3.16Å; A61-Y66 VanDerWaalsContact CB-CB 3.5Å; A61-Y66 HydrophobicContact CB-CD1 4.46Å; A61-Y66 HydrophobicContact CB-CD2 3.56Å; A61-Y66 HydrophobicContact CB-CE2 4.43Å; A61-Y66 HydrophobicContact CB-CG 3.58Å; A61-R70 PolarHBondContact O-NE 2.91Å; A61-R70 PolarHBondContact O-NH2 3.43Å
62G94.6Very high96.6Very high11 Ų1157.2 Ų57.211%0.11327%0.271CS..  trans-88.8-7.1171.100000114.7G12 G14G12-G62 VanDerWaalsContact O-CA 3.24Å; G12-G62 WeakPolarHBondContact O-CA 3.48Å; G14-G62 PolarHBondContact N-O 2.73Å
63Q93.2Very high96.6Very high68 Ų6852.3 Ų52.332%0.31825%0.249SC..SBendtrans-84149.5-179.3-59.5173.47.400111.2P36 D65 Y66 R70P36-Q63 VanDerWaalsContact CB-NE2 3.27Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.29Å; Q63-Y66 HydrophobicContact CB-CD2 4.11Å; Q63-Y66 PolarHBondContact O-N 3Å; Q63-R70 PolarHBondContact O-NH2 3.41Å
64E92.1Very high96.7Very high142 Ų14252.5 Ų52.566%0.66425%0.249SC*.G310 helixtrans-66.2-29.9179.7-68.5179.7174.300113.3Y66 D67 K98E64-Y66 PolarHBondContact O-N 3.3Å; E64-D67 VanDerWaalsContact O-CB 3.27Å; E64-D67 WeakPolarHBondContact O-CB 3.28Å; E64-D67 PolarHBondContact O-N 3.43Å; E64-K98 VanDerWaalsContact CG-NZ 3.31Å
65D94.8Very high96.7Very high140 Ų14053.6 Ų53.675%0.74926%0.261SS*.G310 helixtrans-54.8-24.2177.2-64.2-29.5000112.9Q63Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.29Å
66Y95.3Very high96.6Very high63 Ų6357.7 Ų57.725%0.24728%0.283CS..G310 helixtrans-103.28.2-179.6-60.6-81.7000113.9V38 A61 Q63 E64 R68 L69 R70V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.85Å; V38-Y66 HydrophobicContact CG1-CE1 3.48Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.48Å; V38-Y66 HydrophobicContact CG2-CE1 3.86Å; V38-Y66 HydrophobicContact CG2-CE2 4.5Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.16Å; A61-Y66 VanDerWaalsContact CB-CB 3.5Å; A61-Y66 HydrophobicContact CB-CD1 4.46Å; A61-Y66 HydrophobicContact CB-CD2 3.56Å; A61-Y66 HydrophobicContact CB-CE2 4.43Å; A61-Y66 HydrophobicContact CB-CG 3.58Å; Q63-Y66 HydrophobicContact CB-CD2 4.11Å; Q63-Y66 PolarHBondContact O-N 3Å; E64-Y66 PolarHBondContact O-N 3.3Å; Y66-R68 PolarHBondContact O-N 3.5Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 4.1Å; Y66-L69 PolarHBondContact O-N 2.94Å; Y66-R70 PolarHBondContact O-N 3.39Å
67D96.1Very high96.6Very high56 Ų5658 Ų5830%0.29928%0.284SS..THydrogen-bonded Turntrans-57-29.2-179.2-78.1-7.7000112.6E64 R70 P71 K98E64-D67 VanDerWaalsContact O-CB 3.27Å; E64-D67 WeakPolarHBondContact O-CB 3.28Å; E64-D67 PolarHBondContact O-N 3.43Å; D67-R70 IonicContact OD1-CZ 3.94Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 3.71Å; D67-R70 PolarHBondContact OD1-NH1 2.77Å; D67-R70 IonicContact OD1-NH2 2.97Å; D67-R70 PolarHBondContact OD1-NH2 3.09Å; D67-P71 WeakPolarHBondContact O-CD 3.3Å; D67-P71 WeakPolarHBondContact O-CG 3.45Å; D67-K98 IonicContact OD1-NZ 2.78Å; D67-K98 PolarHBondContact OD1-NZ 3.31Å; D67-K98 IonicContact OD2-NZ 3.93Å
68R95.4Very high96.6Very high232 Ų23258.8 Ų58.888%0.87529%0.289SS*.THydrogen-bonded Turntrans-81.2-24.7175.8-65.4-174.2-180-177.80.8114Y66Y66-R68 PolarHBondContact O-N 3.5Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69L95.5Very high96.6Very high98 Ų9855.8 Ų55.851%0.51328%0.277SS..THydrogen-bonded Turntrans-92.2-35.6-178.2-65.7-175.8000112Y66 P71 L72Y66-L69 HydrophobicContact CD1-CD1 4.1Å; Y66-L69 PolarHBondContact O-N 2.94Å; L69-P71 VanDerWaalsContact C-CD 3.44Å; L69-P71 VanDerWaalsContact C-N 3.31Å; L69-L72 HydrophobicContact CD2-CD1 4.2Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.1Å; L69-L72 WeakPolarHBondContact O-CG 3.43Å; L69-L72 PolarHBondContact O-N 2.91Å
70R97.3Very high96.6Very high6 Ų655.8 Ų55.82%0.02328%0.277CS..G310 helixtrans-51.3-41.5-179.5-170.1-177.5-39.6105.64.5113.4T60 A61 Q63 Y66 D67 L72 S73 Y74 E102T60-R70 HydrophobicContact CG2-CG 4.17Å; A61-R70 PolarHBondContact O-NE 2.91Å; A61-R70 PolarHBondContact O-NH2 3.43Å; Q63-R70 PolarHBondContact O-NH2 3.41Å; Y66-R70 PolarHBondContact O-N 3.39Å; D67-R70 IonicContact OD1-CZ 3.94Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 3.71Å; D67-R70 PolarHBondContact OD1-NH1 2.77Å; D67-R70 IonicContact OD1-NH2 2.97Å; D67-R70 PolarHBondContact OD1-NH2 3.09Å; R70-L72 PolarHBondContact O-N 2.89Å; R70-L72 VanDerWaalsContact O-N 3.07Å; R70-S73 VanDerWaalsContact O-CB 3.26Å; R70-S73 WeakPolarHBondContact O-CB 3.36Å; R70-S73 PolarHBondContact O-N 3.35Å; R70-S73 PolarHBondContact O-OG 2.87Å; R70-Y74 WeakPolarHBondContact CD-OH 3.37Å; R70-E102 WeakPolarHBondContact CD-OE1 3.49Å; R70-E102 IonicContact NH1-OE1 2.87Å; R70-E102 PolarHBondContact NH1-OE1 2.88Å; R70-E102 IonicContact NH1-OE2 3.31Å; R70-E102 PolarHBondContact NH1-OE2 2.84Å
71P97.8Very high96.6Very high23 Ų2355.7 Ų55.715%0.14928%0.277CS..G310 helixtrans-60.6-20.8179.2-27.837.6000115.6D67 L69 S73 Y74 P75 F106D67-P71 WeakPolarHBondContact O-CD 3.3Å; D67-P71 WeakPolarHBondContact O-CG 3.45Å; L69-P71 VanDerWaalsContact C-CD 3.44Å; L69-P71 VanDerWaalsContact C-N 3.31Å; P71-S73 PolarHBondContact O-N 3.49Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.04Å; P71-Y74 HydrophobicContact CB-CE2 4.26Å; P71-Y74 HydrophobicContact CG-CE2 4.36Å; P71-Y74 PolarHBondContact O-N 3.28Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; P71-P75 WeakPolarHBondContact O-CD 3.35Å; P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.15Å; P71-F106 HydrophobicContact CB-CE1 3.74Å; P71-F106 HydrophobicContact CB-CE2 3.78Å; P71-F106 HydrophobicContact CB-CG 4.33Å; P71-F106 HydrophobicContact CB-CZ 3.56Å; P71-F106 HydrophobicContact CG-CD2 4.27Å; P71-F106 HydrophobicContact CG-CE1 4.33Å; P71-F106 HydrophobicContact CG-CE2 3.58Å; P71-F106 HydrophobicContact CG-CZ 3.62Å
72L96.9Very high96.8Very high125 Ų12555.6 Ų55.665%0.65428%0.276SS*.G310 helixtrans-64.8-17.4173.7-57.1178000112.5L69 R70 P75L69-L72 HydrophobicContact CD2-CD1 4.2Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.1Å; L69-L72 WeakPolarHBondContact O-CG 3.43Å; L69-L72 PolarHBondContact O-N 2.91Å; R70-L72 PolarHBondContact O-N 2.89Å; R70-L72 VanDerWaalsContact O-N 3.07Å; L72-P75 WeakPolarHBondContact O-CD 3.36Å
73S97.8Very high97Very high6 Ų655.1 Ų55.14%0.04227%0.271CS..G310 helixtrans-81.5-18.8175.5-58.40000113.3K7 V9 F39 R70 P71K7-S73 WeakPolarHBondContact CE-O 3.33Å; K7-S73 PolarHBondContact NZ-O 3.07Å; V9-S73 WeakPolarHBondContact CG2-O 3.37Å; F39-S73 WeakPolarHBondContact CE2-OG 3.17Å; R70-S73 VanDerWaalsContact O-CB 3.26Å; R70-S73 WeakPolarHBondContact O-CB 3.36Å; R70-S73 PolarHBondContact O-N 3.35Å; R70-S73 PolarHBondContact O-OG 2.87Å; P71-S73 PolarHBondContact O-N 3.49Å
74Y98.5Very high97.2Very high5 Ų551.9 Ų51.92%0.0226%0.256CS..  trans-78.3-27.8-172.5-64.8-32.9000117.8V9 V11 R70 P71 D76 T77 I80 E102 F106V9-Y74 HydrophobicContact CG1-CD1 4.04Å; V9-Y74 HydrophobicContact CG1-CE1 3.88Å; V11-Y74 HydrophobicContact CG1-CE1 3.81Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.35Å; R70-Y74 WeakPolarHBondContact CD-OH 3.37Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.04Å; P71-Y74 HydrophobicContact CB-CE2 4.26Å; P71-Y74 HydrophobicContact CG-CE2 4.36Å; P71-Y74 PolarHBondContact O-N 3.28Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; Y74-D76 PolarHBondContact O-N 2.94Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 2.9Å; Y74-T77 PolarHBondContact O-OG1 3.28Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.43Å; Y74-E102 HydrophobicContact CE2-CG 4.06Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.19Å; Y74-E102 PolarHBondContact OH-OE1 2.91Å; Y74-F106 HydrophobicContact CD2-CB 3.33Å; Y74-F106 HydrophobicContact CD2-CD1 4.42Å; Y74-F106 AromaticContact CD2-CD2 3.61Å; Y74-F106 HydrophobicContact CD2-CD2 3.61Å; Y74-F106 AromaticContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.68Å; Y74-F106 HydrophobicContact CE2-CD2 3.68Å; Y74-F106 HydrophobicContact CE2-CE2 4.44Å; Y74-F106 HydrophobicContact CE2-CG 4.12Å; Y74-F106 HydrophobicContact CG-CB 3.96Å
75P97.5Very high97.6Very high76 Ų7645.2 Ų45.249%0.49423%0.225SC..THydrogen-bonded Turntrans-52.8134.7179.4-29.636.4000112.6K7 P71 L72 T77K7-P75 PolarHBondContact NZ-O 3.15Å; P71-P75 WeakPolarHBondContact O-CD 3.35Å; L72-P75 WeakPolarHBondContact O-CD 3.36Å; P75-T77 PolarHBondContact O-N 3.35Å
76D96.4Very high97.7Very high87 Ų8738.6 Ų38.647%0.46519%0.189SC..THydrogen-bonded Turntrans60.222.8177.7-59.2-53.1000115.3Y74 K186Y74-D76 PolarHBondContact O-N 2.94Å; D76-K186 WeakPolarHBondContact OD1-CE 3.2Å; D76-K186 IonicContact OD1-NZ 3.4Å; D76-K186 PolarHBondContact OD1-NZ 3.02Å; D76-K186 IonicContact OD2-NZ 2.85Å; D76-K186 PolarHBondContact OD2-NZ 2.55Å
77T98.5Very high97.9Very high13 Ų1337.8 Ų37.88%0.0819%0.189CC..  trans-66.8134.4174.8-570000111.7V9 Y74 P75 V79 I80 V110V9-T77 HydrophobicContact CB-CG2 4.03Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 VanDerWaalsContact CG2-OG1 3.26Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.45Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 2.9Å; Y74-T77 PolarHBondContact O-OG1 3.28Å; P75-T77 PolarHBondContact O-N 3.35Å; T77-V79 WeakPolarHBondContact CG2-O 3.24Å; T77-I80 HydrophobicContact CG2-CD1 3.85Å; T77-I80 HydrophobicContact CG2-CG1 4.28Å; T77-V110 HydrophobicContact CG2-CG1 4.05Å; T77-V110 WeakPolarHBondContact O-CG2 3.24Å
78D98.5Very high98Very high17 Ų1736.8 Ų36.89%0.09119%0.186CC..SBendtrans-96.6-27178.2-67.4-84.2000113.3K6 K7 P111 A178K6-D78 WeakPolarHBondContact CA-OD2 3.07Å; K6-D78 HydrophobicContact CB-CB 4.4Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.18Å; K6-D78 WeakPolarHBondContact CD-OD2 3.48Å; K6-D78 IonicContact NZ-OD1 2.96Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K7-D78 PolarHBondContact N-OD2 2.91Å; K7-D78 WeakPolarHBondContact O-CA 3.45Å; K7-D78 WeakPolarHBondContact O-CB 3.35Å; K7-D78 PolarHBondContact O-N 3.37Å; D78-P111 WeakPolarHBondContact O-CD 3.44Å; D78-A178 HydrophobicContact CB-CB 4Å
79V98.8Very high98.1Very high0 Ų027.4 Ų27.40%016%0.155CC..EExtended strand (participates in β ladder)trans-154.2147.5175.861.90000111.2K7 L8 V9 T77 P111 I113 A174 A177 A178K7-V79 PolarHBondContact O-N 2.85Å; L8-V79 WeakPolarHBondContact CA-O 3.49Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.93Å; V9-V79 PolarHBondContact N-O 2.97Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.24Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.21Å; V79-P111 WeakPolarHBondContact CG2-O 3.28Å; V79-I113 HydrophobicContact CG2-CG1 4.18Å; V79-A174 HydrophobicContact CG1-CB 4.22Å; V79-A174 HydrophobicContact CG2-CB 3.98Å; V79-A177 HydrophobicContact CG2-CB 4.42Å; V79-A178 HydrophobicContact CB-CB 3.91Å; V79-A178 HydrophobicContact CG1-CB 3.87Å
80I98.9Very high98.2Very high0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-107.9131.5174.4-63.1-76.8000109.4V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.35Å; V11-I80 HydrophobicContact CG2-CG2 4.09Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.43Å; T77-I80 HydrophobicContact CG2-CD1 3.85Å; T77-I80 HydrophobicContact CG2-CG1 4.28Å; I80-M82 HydrophobicContact CG2-CB 4.36Å; I80-M82 HydrophobicContact CG2-CE 4.45Å; I80-V103 HydrophobicContact CB-CG1 4.35Å; I80-V103 HydrophobicContact CD1-CG1 4.2Å; I80-V103 HydrophobicContact CD1-CG2 4.41Å; I80-V103 HydrophobicContact CG1-CG1 3.77Å; I80-V103 HydrophobicContact CG2-CG1 4.17Å; I80-V103 HydrophobicContact CG2-CG2 4.18Å; I80-V110 HydrophobicContact CG1-CB 4.45Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; I80-P111 PolarHBondContact N-O 3.03Å; I80-I112 HydrophobicContact CB-CG1 4.16Å; I80-I112 HydrophobicContact CG2-CG1 4.45Å; I80-I112 HydrophobicContact CG2-CG2 4.38Å; I80-I112 WeakPolarHBondContact O-CA 3.4Å; I80-I113 PolarHBondContact O-N 2.9Å
81L98.9Very high98.2Very high0 Ų026.7 Ų26.70%015%0.153CC..EExtended strand (participates in β ladder)trans-94.3122.2157.2-68.7-171.2000108.4L8 V9 I10 V11 I113 V115 V170 F171 A174L8-L81 HydrophobicContact CD1-CD1 3.97Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.43Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.91Å; L8-L81 HydrophobicContact CG-CD1 4.42Å; L8-L81 HydrophobicContact CG-CG 4.09Å; V9-L81 PolarHBondContact O-N 2.66Å; I10-L81 CarbonylContact C-O 3.45Å; I10-L81 VanDerWaalsContact CA-O 3.3Å; I10-L81 WeakPolarHBondContact CA-O 3.21Å; I10-L81 HydrophobicContact CB-CB 4.11Å; I10-L81 HydrophobicContact CD1-CB 4.2Å; I10-L81 HydrophobicContact CD1-CD1 4.24Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; V11-L81 PolarHBondContact N-O 2.92Å; L81-I113 HydrophobicContact CD2-CB 3.66Å; L81-I113 HydrophobicContact CD2-CG1 3.95Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; L81-V115 HydrophobicContact CD2-CG2 4.11Å; L81-V170 HydrophobicContact CD1-CG1 3.89Å; L81-V170 HydrophobicContact CD2-CG1 3.82Å; L81-F171 HydrophobicContact CD1-CD1 4.44Å; L81-F171 HydrophobicContact CD1-CE1 3.87Å; L81-F171 HydrophobicContact CD1-CZ 4.05Å; L81-A174 HydrophobicContact CD2-CB 3.78Å
82M98.9Very high98.3Very high0 Ų026 Ų260%015%0.147CC..EExtended strand (participates in β ladder)trans-111.5110177.4-172.4169.3-70.600108V11 I80 I95 W99 V103 I112 I113 L114 V115 I151V11-M82 HydrophobicContact CG2-CB 4.31Å; V11-M82 HydrophobicContact CG2-CE 4.18Å; V11-M82 HydrophobicContact CG2-CG 4.19Å; I80-M82 HydrophobicContact CG2-CB 4.36Å; I80-M82 HydrophobicContact CG2-CE 4.45Å; M82-I95 HydrophobicContact CG-CD1 3.76Å; M82-I95 HydrophobicContact CG-CG2 4.11Å; M82-I95 HydrophobicContact SD-CG2 3.58Å; M82-I95 VanDerWaalsContact SD-CG2 3.58Å; M82-W99 HydrophobicContact CE-CB 4.13Å; M82-W99 HydrophobicContact CG-CB 4.19Å; M82-W99 HydrophobicContact SD-CB 4.07Å; M82-V103 HydrophobicContact CE-CB 3.8Å; M82-V103 HydrophobicContact CE-CG1 4.22Å; M82-V103 HydrophobicContact CE-CG2 3.65Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 4.12Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.19Å; M82-I113 PolarHBondContact N-O 3.24Å; M82-L114 HydrophobicContact CB-CD1 4.49Å; M82-L114 HydrophobicContact CG-CD1 4.39Å; M82-L114 WeakPolarHBondContact O-CA 3.49Å; M82-V115 PolarHBondContact O-N 3.35Å; M82-I151 HydrophobicContact SD-CD1 4.02Å
83C98.9Very high98.4Very high1 Ų123.6 Ų23.61%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-111.5131.9-165.9-69.90000112.1I10 V11 G12 C16 K18 V115I10-C83 WeakPolarHBondContact CD1-SG 3.5Å; V11-C83 PolarHBondContact O-N 3.1Å; G12-C83 VanDerWaalsContact CA-O 3.28Å; G12-C83 WeakPolarHBondContact CA-O 3.46Å; C16-C83 PolarHBondContact SG-O 2.91Å; C16-C83 VanDerWaalsContact SG-O 3.4Å; K18-C83 HydrophobicContact CG-CB 4.17Å; C83-V115 WeakPolarHBondContact CA-O 3.47Å
84F98.9Very high98.4Very high0 Ų025.4 Ų25.40%015%0.145CC..EExtended strand (participates in β ladder)trans-121.7173.6164.174.3-86.6000109.5I86 S91 L92 I95 L114 V115 G116 N117 V139 Y156F84-I86 HydrophobicContact CE2-CG1 4.34Å; F84-S91 VanDerWaalsContact CB-O 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.38Å; F84-L92 HydrophobicContact CB-CB 4.49Å; F84-L92 HydrophobicContact CD1-CD1 3.74Å; F84-L92 HydrophobicContact CD2-CB 3.92Å; F84-L92 HydrophobicContact CD2-CD1 4.15Å; F84-L92 HydrophobicContact CE1-CD1 3.72Å; F84-L92 HydrophobicContact CE2-CB 4.37Å; F84-L92 HydrophobicContact CE2-CD1 4.19Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 3.95Å; F84-L92 HydrophobicContact CZ-CD1 3.96Å; F84-I95 HydrophobicContact CB-CD1 4.03Å; F84-I95 HydrophobicContact CB-CG1 4.01Å; F84-I95 HydrophobicContact CD1-CG1 4.37Å; F84-L114 HydrophobicContact CD1-CD1 3.96Å; F84-L114 HydrophobicContact CD1-CG 4.33Å; F84-L114 HydrophobicContact CE1-CD1 4.23Å; F84-L114 HydrophobicContact CE1-CD2 4.36Å; F84-L114 HydrophobicContact CE1-CG 4.11Å; F84-V115 WeakPolarHBondContact CD1-O 3.42Å; F84-V115 PolarHBondContact N-O 3.44Å; F84-G116 VanDerWaalsContact CE1-CA 3.48Å; F84-G116 VanDerWaalsContact CZ-CA 3.42Å; F84-N117 PolarHBondContact O-N 2.78Å; F84-V139 HydrophobicContact CE2-CB 4.16Å; F84-V139 HydrophobicContact CE2-CG1 3.75Å; F84-V139 HydrophobicContact CE2-CG2 4.38Å; F84-V139 HydrophobicContact CZ-CG1 4.24Å; F84-Y156 HydrophobicContact CE1-CD2 4.49Å; F84-Y156 AromaticContact CE1-CE2 3.66Å; F84-Y156 HydrophobicContact CE1-CE2 3.66Å; F84-Y156 AromaticContact CZ-CE2 3.79Å; F84-Y156 HydrophobicContact CZ-CE2 3.79Å
85S98.9Very high98.4Very high2 Ų225.2 Ų25.21%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-111.1131.9-179.2-153.50000110.8D87 S88 S91 K118S85-D87 WeakPolarHBondContact CB-OD1 3.29Å; S85-D87 PolarHBondContact O-N 3.16Å; S85-D87 VanDerWaalsContact O-N 3.17Å; S85-D87 PolarHBondContact OG-OD1 2.54Å; S85-S88 PolarHBondContact O-N 3.1Å; S85-S91 PolarHBondContact N-OG 3.2Å; S85-S91 PolarHBondContact O-OG 3.12Å; S85-K118 WeakPolarHBondContact OG-CD 3.39Å; S85-K118 WeakPolarHBondContact OG-CE 3.47Å; S85-K118 PolarHBondContact OG-NZ 2.64Å
86I98.8Very high98.5Very high0 Ų022.9 Ų22.90%013%0.128CC..THydrogen-bonded Turntrans-62.4-25.3-178-75.5166.5000112.3F84 S88 N117 Q119 R122 L138 V139 E158F84-I86 HydrophobicContact CE2-CG1 4.34Å; I86-S88 VanDerWaalsContact C-N 3.33Å; I86-N117 WeakPolarHBondContact CB-O 3.29Å; I86-N117 WeakPolarHBondContact CG1-O 3.39Å; I86-N117 PolarHBondContact N-O 3.1Å; I86-Q119 HydrophobicContact CD1-CB 3.52Å; I86-R122 HydrophobicContact CG2-CG 4.19Å; I86-L138 HydrophobicContact CG2-CB 4.17Å; I86-L138 HydrophobicContact CG2-CD2 4.3Å; I86-L138 WeakPolarHBondContact O-CA 3.37Å; I86-V139 PolarHBondContact O-N 3.04Å; I86-E158 HydrophobicContact CD1-CB 4.3Å; I86-E158 HydrophobicContact CD1-CG 4.11Å
87D98Very high98.6Very high47 Ų4725.6 Ų25.625%0.25114%0.138SC..THydrogen-bonded Turntrans-86.410.817464.6-18.7000114.9S85 K118 L121 L131 L138S85-D87 WeakPolarHBondContact CB-OD1 3.29Å; S85-D87 PolarHBondContact O-N 3.16Å; S85-D87 VanDerWaalsContact O-N 3.17Å; S85-D87 PolarHBondContact OG-OD1 2.54Å; D87-K118 IonicContact OD1-NZ 2.68Å; D87-K118 PolarHBondContact OD1-NZ 2.92Å; D87-K118 VanDerWaalsContact OD1-NZ 3.13Å; D87-K118 IonicContact OD2-NZ 3.13Å; D87-K118 PolarHBondContact OD2-NZ 2.73Å; D87-L121 HydrophobicContact CB-CD1 3.54Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.3Å; D87-L131 HydrophobicContact CB-CD1 4.44Å; D87-L138 HydrophobicContact CB-CD2 3.97Å
88S97.9Very high98.6Very high34 Ų3426.6 Ų26.624%0.23814%0.141CC..  trans-143.6104.2179.8174.50000111.3S85 I86 D90 S91 L92S85-S88 PolarHBondContact O-N 3.1Å; I86-S88 VanDerWaalsContact C-N 3.33Å; S88-D90 VanDerWaalsContact C-N 3.29Å; S88-D90 PolarHBondContact O-N 3.41Å; S88-S91 WeakPolarHBondContact CB-OG 3.12Å; S88-S91 PolarHBondContact O-N 3.38Å; S88-S91 PolarHBondContact O-OG 3.12Å; S88-S91 WeakPolarHBondContact OG-CB 3.35Å; S88-S91 PolarHBondContact OG-N 2.87Å; S88-S91 PolarHBondContact OG-OG 3.06Å; S88-L92 PolarHBondContact O-N 2.89Å
89T97.3Very high98.6Very high35 Ų3525.8 Ų25.822%0.21514%0.137CC..Hα-helixtrans-58.3-42.8172.350.70000111.3S91 L92 D93 Q136 V139T89-S91 PolarHBondContact O-N 3.1Å; T89-L92 WeakPolarHBondContact O-CA 3.28Å; T89-L92 WeakPolarHBondContact O-CB 3.3Å; T89-L92 PolarHBondContact O-N 3.35Å; T89-D93 PolarHBondContact O-N 2.98Å; T89-Q136 PolarHBondContact OG1-NE2 2.93Å; T89-V139 HydrophobicContact CG2-CG2 4.11Å
90D97.8Very high98.6Very high88 Ų8828 Ų2847%0.47115%0.146SC..Hα-helixtrans-57.5-39.7179.2-58-0.3000111.1S88 L92 D93 N94S88-D90 VanDerWaalsContact C-N 3.29Å; S88-D90 PolarHBondContact O-N 3.41Å; D90-L92 VanDerWaalsContact C-N 3.26Å; D90-L92 PolarHBondContact O-N 3.43Å; D90-D93 PolarHBondContact O-N 3.47Å; D90-N94 WeakPolarHBondContact O-CB 3.4Å; D90-N94 VanDerWaalsContact O-CG 3.27Å; D90-N94 PolarHBondContact O-N 3.1Å; D90-N94 PolarHBondContact O-ND2 2.73Å
91S98.8Very high98.6Very high2 Ų230.8 Ų30.81%0.01416%0.164CC..Hα-helixtrans-66.7-27.4177.577.10000113.5D13 F84 S85 S88 T89 I95D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.21Å; F84-S91 VanDerWaalsContact CB-O 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.38Å; S85-S91 PolarHBondContact N-OG 3.2Å; S85-S91 PolarHBondContact O-OG 3.12Å; S88-S91 WeakPolarHBondContact CB-OG 3.12Å; S88-S91 PolarHBondContact O-N 3.38Å; S88-S91 PolarHBondContact O-OG 3.12Å; S88-S91 WeakPolarHBondContact OG-CB 3.35Å; S88-S91 PolarHBondContact OG-N 2.87Å; S88-S91 PolarHBondContact OG-OG 3.06Å; T89-S91 PolarHBondContact O-N 3.1Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å
92L98.8Very high98.6Very high7 Ų732.1 Ų32.14%0.03717%0.17CC..Hα-helixtrans-76.4-41.5171.3179.963.3000111.1F84 S88 T89 D90 N94 I95 V139 E143 V147F84-L92 HydrophobicContact CB-CB 4.49Å; F84-L92 HydrophobicContact CD1-CD1 3.74Å; F84-L92 HydrophobicContact CD2-CB 3.92Å; F84-L92 HydrophobicContact CD2-CD1 4.15Å; F84-L92 HydrophobicContact CE1-CD1 3.72Å; F84-L92 HydrophobicContact CE2-CB 4.37Å; F84-L92 HydrophobicContact CE2-CD1 4.19Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 3.95Å; F84-L92 HydrophobicContact CZ-CD1 3.96Å; S88-L92 PolarHBondContact O-N 2.89Å; T89-L92 WeakPolarHBondContact O-CA 3.28Å; T89-L92 WeakPolarHBondContact O-CB 3.3Å; T89-L92 PolarHBondContact O-N 3.35Å; D90-L92 VanDerWaalsContact C-N 3.26Å; D90-L92 PolarHBondContact O-N 3.43Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.22Å; L92-I95 HydrophobicContact CD1-CG1 4.28Å; L92-I95 WeakPolarHBondContact O-CB 3.41Å; L92-I95 WeakPolarHBondContact O-CG1 3.41Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.11Å; L92-V139 HydrophobicContact CB-CG2 4.42Å; L92-V139 HydrophobicContact CD2-CG1 3.56Å; L92-V139 HydrophobicContact CD2-CG2 4.47Å; L92-E143 HydrophobicContact CD2-CB 4Å; L92-V147 HydrophobicContact CD1-CB 3.9Å; L92-V147 HydrophobicContact CD1-CG1 4Å; L92-V147 HydrophobicContact CD1-CG2 3.68Å; L92-V147 HydrophobicContact CD2-CG2 4Å; L92-V147 HydrophobicContact CG-CG2 3.86Å
93D98.6Very high98.6Very high75 Ų7532.1 Ų32.140%0.40117%0.17SC..Hα-helixtrans-62-44.1178.2-70-29000111.1T89 D90 I95 T96 E97T89-D93 PolarHBondContact O-N 2.98Å; D90-D93 PolarHBondContact O-N 3.47Å; D93-I95 PolarHBondContact O-N 2.93Å; D93-I95 VanDerWaalsContact O-N 3.1Å; D93-T96 PolarHBondContact O-N 3.14Å; D93-T96 PolarHBondContact O-OG1 3.34Å; D93-E97 PolarHBondContact O-N 3.1Å; D93-E97 VanDerWaalsContact O-N 3.08Å
94N98.8Very high98.5Very high45 Ų4537.5 Ų37.524%0.24119%0.193CC..Hα-helixtrans-59.5-22.5175.4-75.9-25.6000113.3D13 D90 L92 T96 K98 W99D13-N94 PolarHBondContact OD1-ND2 3.08Å; D13-N94 PolarHBondContact OD2-ND2 3.21Å; D90-N94 WeakPolarHBondContact O-CB 3.4Å; D90-N94 VanDerWaalsContact O-CG 3.27Å; D90-N94 PolarHBondContact O-N 3.1Å; D90-N94 PolarHBondContact O-ND2 2.73Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.22Å; N94-T96 PolarHBondContact O-N 3.02Å; N94-K98 WeakPolarHBondContact O-CA 3.22Å; N94-K98 WeakPolarHBondContact O-CB 3.41Å; N94-K98 PolarHBondContact O-N 3.33Å; N94-W99 PolarHBondContact O-N 3.47Å
95I98.9Very high98.5Very high0 Ų044.3 Ų44.30%023%0.225CC..Iπ-helixtrans-55.3-42.9170.5-62.8-48.5000110.1M82 F84 S91 L92 D93 W99 Y100 L114 V147 I151M82-I95 HydrophobicContact CG-CD1 3.76Å; M82-I95 HydrophobicContact CG-CG2 4.11Å; M82-I95 HydrophobicContact SD-CG2 3.58Å; M82-I95 VanDerWaalsContact SD-CG2 3.58Å; F84-I95 HydrophobicContact CB-CD1 4.03Å; F84-I95 HydrophobicContact CB-CG1 4.01Å; F84-I95 HydrophobicContact CD1-CG1 4.37Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å; L92-I95 HydrophobicContact CD1-CG1 4.28Å; L92-I95 WeakPolarHBondContact O-CB 3.41Å; L92-I95 WeakPolarHBondContact O-CG1 3.41Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.11Å; D93-I95 PolarHBondContact O-N 2.93Å; D93-I95 VanDerWaalsContact O-N 3.1Å; I95-W99 HydrophobicContact CD1-CG 4.44Å; I95-Y100 WeakPolarHBondContact O-CA 2.94Å; I95-Y100 WeakPolarHBondContact O-CB 3.47Å; I95-Y100 PolarHBondContact O-N 3.44Å; I95-L114 HydrophobicContact CD1-CD1 4.35Å; I95-L114 HydrophobicContact CG1-CD1 4.02Å; I95-L114 HydrophobicContact CG2-CD1 3.7Å; I95-V147 HydrophobicContact CB-CG1 4.18Å; I95-V147 HydrophobicContact CG2-CG1 3.7Å; I95-I151 HydrophobicContact CG2-CD1 3.94Å
96T98.6Very high98.5Very high27 Ų2748.8 Ų48.817%0.16624%0.244CC..Iπ-helixtrans-92.1-30.2-176.854.80000114.5D93 N94 P101 V147 R150 I151D93-T96 PolarHBondContact O-N 3.14Å; D93-T96 PolarHBondContact O-OG1 3.34Å; N94-T96 PolarHBondContact O-N 3.02Å; T96-P101 VanDerWaalsContact O-CD 3.24Å; T96-P101 WeakPolarHBondContact O-CD 3.24Å; T96-P101 WeakPolarHBondContact O-CG 3.49Å; T96-V147 HydrophobicContact CG2-CG1 3.76Å; T96-R150 PolarHBondContact OG1-NH2 3.46Å; T96-I151 HydrophobicContact CG2-CG2 3.62Å
97E98.5Very high98.4Very high144 Ų14449.2 Ų49.267%0.67325%0.247SC*.Iπ-helixtrans-81.9-31.1-178.1-62.1-172.5170.300112.3D93D93-E97 PolarHBondContact O-N 3.1Å; D93-E97 VanDerWaalsContact O-N 3.08Å
98K98.5Very high98.3Very high35 Ų3551.1 Ų51.115%0.15226%0.262CS..Iπ-helixtrans-125.5-62.8-172.7179178.9179.5169.70113.4E64 D67 N94 P101 E102E64-K98 VanDerWaalsContact CG-NZ 3.31Å; D67-K98 IonicContact OD1-NZ 2.78Å; D67-K98 PolarHBondContact OD1-NZ 3.31Å; D67-K98 IonicContact OD2-NZ 3.93Å; N94-K98 WeakPolarHBondContact O-CA 3.22Å; N94-K98 WeakPolarHBondContact O-CB 3.41Å; N94-K98 PolarHBondContact O-N 3.33Å; K98-P101 WeakPolarHBondContact O-CD 3.21Å; K98-E102 WeakPolarHBondContact O-CB 3.44Å; K98-E102 PolarHBondContact O-N 3.31Å; K98-E102 VanDerWaalsContact O-N 3.1Å
99W98.8Very high98.1Very high0 Ų056.2 Ų56.20%029%0.287CS..Iπ-helixtrans-68.8-43.4-165.3-60.6111.6000113V11 G12 D13 M82 N94 I95 V103V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.26Å; V11-W99 HydrophobicContact CG2-CB 4.5Å; V11-W99 HydrophobicContact CG2-CE3 4.3Å; G12-W99 VanDerWaalsContact CA-CE2 3.42Å; G12-W99 WeakPolarHBondContact O-CH2 3.38Å; G12-W99 WeakPolarHBondContact O-CZ2 3.4Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.16Å; D13-W99 PolarHBondContact OD1-NE1 2.99Å; M82-W99 HydrophobicContact CE-CB 4.13Å; M82-W99 HydrophobicContact CG-CB 4.19Å; M82-W99 HydrophobicContact SD-CB 4.07Å; N94-W99 PolarHBondContact O-N 3.47Å; I95-W99 HydrophobicContact CD1-CG 4.44Å; W99-V103 WeakPolarHBondContact O-CB 3.39Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.49Å; W99-V103 PolarHBondContact O-N 3.29Å
100Y98.8Very high98.1Very high46 Ų4656 Ų5618%0.1829%0.285CS..Hα-helixtrans-65.9-49.3176.8173.4-105.7000112.8I95 E102 V103 K104 I112 I151I95-Y100 WeakPolarHBondContact O-CA 2.94Å; I95-Y100 WeakPolarHBondContact O-CB 3.47Å; I95-Y100 PolarHBondContact O-N 3.44Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 2.88Å; Y100-V103 PolarHBondContact O-N 2.88Å; Y100-K104 HydrophobicContact CE1-CD 3.85Å; Y100-K104 HydrophobicContact CE2-CB 4.43Å; Y100-K104 HydrophobicContact CE2-CD 4.42Å; Y100-K104 WeakPolarHBondContact O-CB 3.17Å; Y100-K104 PolarHBondContact O-N 2.95Å; Y100-K104 PolarHBondContact OH-NZ 2.81Å; Y100-K104 VanDerWaalsContact OH-NZ 3.07Å; Y100-I112 HydrophobicContact CD2-CD1 3.9Å; Y100-I112 HydrophobicContact CE2-CD1 4.12Å; Y100-I151 HydrophobicContact CD1-CB 4.31Å; Y100-I151 HydrophobicContact CD1-CG2 4.02Å; Y100-I151 HydrophobicContact CD2-CB 3.62Å; Y100-I151 HydrophobicContact CD2-CG1 4.47Å; Y100-I151 HydrophobicContact CD2-CG2 4.03Å; Y100-I151 HydrophobicContact CE1-CB 4.47Å; Y100-I151 HydrophobicContact CE2-CB 3.78Å; Y100-I151 WeakPolarHBondContact CE2-O 3.37Å; Y100-I151 HydrophobicContact CG-CB 3.87Å; Y100-I151 HydrophobicContact CG-CG2 3.72Å; Y100-I151 PolarHBondContact OH-O 3.25Å
101P98.7Very high98.1Very high59 Ų5952.9 Ų52.938%0.38327%0.269SS..Hα-helixtrans-52.4-45.5173-30.135.9000113.6T96 K98 H105T96-P101 VanDerWaalsContact O-CD 3.24Å; T96-P101 WeakPolarHBondContact O-CD 3.24Å; T96-P101 WeakPolarHBondContact O-CG 3.49Å; K98-P101 WeakPolarHBondContact O-CD 3.21Å; P101-H105 WeakPolarHBondContact O-CB 3.48Å; P101-H105 PolarHBondContact O-N 3.37Å
102E98.6Very high98.1Very high27 Ų2753.5 Ų53.513%0.12627%0.272CS..Hα-helixtrans-63.3-53.1178.4-173.9-178.2129.700111.7R70 Y74 K98 Y100 K104 H105 F106R70-E102 WeakPolarHBondContact CD-OE1 3.49Å; R70-E102 IonicContact NH1-OE1 2.87Å; R70-E102 PolarHBondContact NH1-OE1 2.88Å; R70-E102 IonicContact NH1-OE2 3.31Å; R70-E102 PolarHBondContact NH1-OE2 2.84Å; Y74-E102 HydrophobicContact CE2-CG 4.06Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.19Å; Y74-E102 PolarHBondContact OH-OE1 2.91Å; K98-E102 WeakPolarHBondContact O-CB 3.44Å; K98-E102 PolarHBondContact O-N 3.31Å; K98-E102 VanDerWaalsContact O-N 3.1Å; Y100-E102 VanDerWaalsContact C-N 3.3Å; Y100-E102 PolarHBondContact O-N 2.88Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.36Å; E102-H105 WeakPolarHBondContact O-CB 3.32Å; E102-H105 PolarHBondContact O-N 2.77Å; E102-H105 VanDerWaalsContact O-N 3.12Å; E102-F106 HydrophobicContact CG-CD2 3.94Å; E102-F106 HydrophobicContact CG-CE2 3.97Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.27Å; E102-F106 PolarHBondContact O-N 3.2Å; E102-F106 VanDerWaalsContact O-N 3.12Å
103V98.6Very high98.1Very high0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-61.8-40.2179.8168.40000111.1V11 I80 M82 W99 Y100 H105 F106 C107 I112V11-V103 HydrophobicContact CG1-CG2 4.48Å; V11-V103 HydrophobicContact CG2-CG2 3.87Å; I80-V103 HydrophobicContact CB-CG1 4.35Å; I80-V103 HydrophobicContact CD1-CG1 4.2Å; I80-V103 HydrophobicContact CD1-CG2 4.41Å; I80-V103 HydrophobicContact CG1-CG1 3.77Å; I80-V103 HydrophobicContact CG2-CG1 4.17Å; I80-V103 HydrophobicContact CG2-CG2 4.18Å; M82-V103 HydrophobicContact CE-CB 3.8Å; M82-V103 HydrophobicContact CE-CG1 4.22Å; M82-V103 HydrophobicContact CE-CG2 3.65Å; W99-V103 WeakPolarHBondContact O-CB 3.39Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.49Å; W99-V103 PolarHBondContact O-N 3.29Å; Y100-V103 PolarHBondContact O-N 2.88Å; V103-H105 VanDerWaalsContact C-N 3.27Å; V103-H105 PolarHBondContact O-N 2.79Å; V103-F106 PolarHBondContact O-N 2.81Å; V103-C107 HydrophobicContact CG1-CB 4.13Å; V103-C107 CarbonylContact O-C 3.41Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.23Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.24Å; V103-C107 PolarHBondContact O-N 3.34Å; V103-I112 HydrophobicContact CG1-CD1 3.78Å; V103-I112 HydrophobicContact CG1-CG1 4.08Å
104K98.2Very high98.1Very high115 Ų11549.6 Ų49.650%0.525%0.252SS..Hα-helixtrans-63.3-35.2177.1-173.6178-168163.70111.9Y100 E102 P108Y100-K104 HydrophobicContact CE1-CD 3.85Å; Y100-K104 HydrophobicContact CE2-CB 4.43Å; Y100-K104 HydrophobicContact CE2-CD 4.42Å; Y100-K104 WeakPolarHBondContact O-CB 3.17Å; Y100-K104 PolarHBondContact O-N 2.95Å; Y100-K104 PolarHBondContact OH-NZ 2.81Å; Y100-K104 VanDerWaalsContact OH-NZ 3.07Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.36Å; K104-P108 WeakPolarHBondContact O-CA 3.36Å; K104-P108 WeakPolarHBondContact O-CB 3.28Å
105H98.2Very high98.2Very high143 Ų14347.4 Ų47.466%0.66224%0.24SC*.Hα-helixtrans-66.7-49.3177.1-178.978.2000111.9P101 E102 V103P101-H105 WeakPolarHBondContact O-CB 3.48Å; P101-H105 PolarHBondContact O-N 3.37Å; E102-H105 WeakPolarHBondContact O-CB 3.32Å; E102-H105 PolarHBondContact O-N 2.77Å; E102-H105 VanDerWaalsContact O-N 3.12Å; V103-H105 VanDerWaalsContact C-N 3.27Å; V103-H105 PolarHBondContact O-N 2.79Å
106F98.3Very high98.2Very high96 Ų9647.4 Ų47.442%0.42124%0.24SC..Hα-helixtrans-89.2-26-174.5-66.8-73.1000114.4P71 Y74 E102 V103 P108P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.15Å; P71-F106 HydrophobicContact CB-CE1 3.74Å; P71-F106 HydrophobicContact CB-CE2 3.78Å; P71-F106 HydrophobicContact CB-CG 4.33Å; P71-F106 HydrophobicContact CB-CZ 3.56Å; P71-F106 HydrophobicContact CG-CD2 4.27Å; P71-F106 HydrophobicContact CG-CE1 4.33Å; P71-F106 HydrophobicContact CG-CE2 3.58Å; P71-F106 HydrophobicContact CG-CZ 3.62Å; Y74-F106 HydrophobicContact CD2-CB 3.33Å; Y74-F106 HydrophobicContact CD2-CD1 4.42Å; Y74-F106 AromaticContact CD2-CD2 3.61Å; Y74-F106 HydrophobicContact CD2-CD2 3.61Å; Y74-F106 AromaticContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.68Å; Y74-F106 HydrophobicContact CE2-CD2 3.68Å; Y74-F106 HydrophobicContact CE2-CE2 4.44Å; Y74-F106 HydrophobicContact CE2-CG 4.12Å; Y74-F106 HydrophobicContact CG-CB 3.96Å; E102-F106 HydrophobicContact CG-CD2 3.94Å; E102-F106 HydrophobicContact CG-CE2 3.97Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.27Å; E102-F106 PolarHBondContact O-N 3.2Å; E102-F106 VanDerWaalsContact O-N 3.12Å; V103-F106 PolarHBondContact O-N 2.81Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
107C97.5Very high98.2Very high8 Ų846.3 Ų46.35%0.05423%0.233CC..  trans-129.951.3-172.8-63.10000112.5V103 N109 V110V103-C107 HydrophobicContact CG1-CB 4.13Å; V103-C107 CarbonylContact O-C 3.41Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.23Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.24Å; V103-C107 PolarHBondContact O-N 3.34Å; C107-N109 PolarHBondContact O-N 3.07Å; C107-V110 HydrophobicContact CB-CB 3.84Å; C107-V110 HydrophobicContact CB-CG2 3.64Å; C107-V110 PolarHBondContact O-N 2.68Å
108P95.1Very high98.2Very high87 Ų8742.1 Ų42.157%0.56521%0.213SC*.THydrogen-bonded Turntrans-60.1-18.9-165.622.6-35.4000116.2K104 F106K104-P108 WeakPolarHBondContact O-CA 3.36Å; K104-P108 WeakPolarHBondContact O-CB 3.28Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
109N93.8Very high98.2Very high142 Ų14241.6 Ų41.676%0.75921%0.211SC*.THydrogen-bonded Turntrans-121.711-178.4-57.8-72.7000113C107C107-N109 PolarHBondContact O-N 3.07Å
110V98.1Very high98.2Very high29 Ų2942.9 Ų42.918%0.17622%0.218CC..SBendtrans-87.8129.2-179.4-178.70000108.3T77 I80 C107T77-V110 HydrophobicContact CG2-CG1 4.05Å; T77-V110 WeakPolarHBondContact O-CG2 3.24Å; I80-V110 HydrophobicContact CG1-CB 4.45Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; C107-V110 HydrophobicContact CB-CB 3.84Å; C107-V110 HydrophobicContact CB-CG2 3.64Å; C107-V110 PolarHBondContact O-N 2.68Å
111P98.6Very high98.1Very high23 Ų2341.7 Ų41.715%0.14921%0.214CC..  trans-62.9139.8177.525.6-34000110.7D78 V79 I80 A177 T181D78-P111 WeakPolarHBondContact O-CD 3.44Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.21Å; V79-P111 WeakPolarHBondContact CG2-O 3.28Å; I80-P111 PolarHBondContact N-O 3.03Å; P111-A177 HydrophobicContact CB-CB 3.94Å; P111-A177 HydrophobicContact CG-CB 3.99Å; P111-T181 HydrophobicContact CG-CG2 3.83Å
112I98.9Very high98.1Very high15 Ų1541.9 Ų41.98%0.07721%0.208CC..EExtended strand (participates in β ladder)trans-109.9130178.2-58.7171.9000108I80 M82 Y100 V103 I151 A153 Y154I80-I112 HydrophobicContact CB-CG1 4.16Å; I80-I112 HydrophobicContact CG2-CG1 4.45Å; I80-I112 HydrophobicContact CG2-CG2 4.38Å; I80-I112 WeakPolarHBondContact O-CA 3.4Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 4.12Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.19Å; Y100-I112 HydrophobicContact CD2-CD1 3.9Å; Y100-I112 HydrophobicContact CE2-CD1 4.12Å; V103-I112 HydrophobicContact CG1-CD1 3.78Å; V103-I112 HydrophobicContact CG1-CG1 4.08Å; I112-I151 HydrophobicContact CG2-CD1 4.47Å; I112-A153 HydrophobicContact CB-CB 4.28Å; I112-A153 HydrophobicContact CG2-CB 4.27Å; I112-A153 CarbonylContact O-C 3.6Å; I112-A153 WeakPolarHBondContact O-CB 3.28Å; I112-Y154 WeakPolarHBondContact O-CB 3.36Å; I112-Y154 PolarHBondContact O-N 3.5Å
113I98.9Very high97.9Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-102122.1163.5-46-50.7000107.3V79 I80 L81 M82 V115 Y154 L157 T173 A174 A177V79-I113 HydrophobicContact CG2-CG1 4.18Å; I80-I113 PolarHBondContact O-N 2.9Å; L81-I113 HydrophobicContact CD2-CB 3.66Å; L81-I113 HydrophobicContact CD2-CG1 3.95Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; M82-I113 PolarHBondContact N-O 3.24Å; I113-V115 HydrophobicContact CG2-CG2 4.11Å; I113-Y154 HydrophobicContact CD1-CD1 3.59Å; I113-Y154 HydrophobicContact CD1-CG 4.01Å; I113-L157 HydrophobicContact CG2-CD1 4.1Å; I113-T173 HydrophobicContact CD1-CG2 4.12Å; I113-A174 HydrophobicContact CG1-CB 3.85Å; I113-A177 HydrophobicContact CD1-CB 4.07Å
114L99Very high97.8Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-83.2130.5171.9-176.865.5000109.1M82 F84 I95 G144 V147 C148 I151 A153 G155 Y156 L157M82-L114 HydrophobicContact CB-CD1 4.49Å; M82-L114 HydrophobicContact CG-CD1 4.39Å; M82-L114 WeakPolarHBondContact O-CA 3.49Å; F84-L114 HydrophobicContact CD1-CD1 3.96Å; F84-L114 HydrophobicContact CD1-CG 4.33Å; F84-L114 HydrophobicContact CE1-CD1 4.23Å; F84-L114 HydrophobicContact CE1-CD2 4.36Å; F84-L114 HydrophobicContact CE1-CG 4.11Å; I95-L114 HydrophobicContact CD1-CD1 4.35Å; I95-L114 HydrophobicContact CG1-CD1 4.02Å; I95-L114 HydrophobicContact CG2-CD1 3.7Å; L114-G144 VanDerWaalsContact CD2-O 3.28Å; L114-G144 WeakPolarHBondContact CD2-O 3.21Å; L114-V147 HydrophobicContact CD2-CB 4.05Å; L114-V147 HydrophobicContact CD2-CG1 3.91Å; L114-C148 HydrophobicContact CD2-CB 3.92Å; L114-I151 HydrophobicContact CD1-CD1 4.5Å; L114-A153 HydrophobicContact CB-CB 4.41Å; L114-G155 PolarHBondContact N-O 2.87Å; L114-Y156 HydrophobicContact CB-CD2 4.2Å; L114-Y156 HydrophobicContact CD2-CD2 3.96Å; L114-Y156 HydrophobicContact CG-CD2 3.92Å; L114-Y156 HydrophobicContact CG-CE2 4.47Å; L114-Y156 WeakPolarHBondContact O-CA 3.16Å; L114-L157 PolarHBondContact O-N 2.91Å
115V99Very high97.7Very high0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-126.8117.4-175.6-176.90000110.6L21 L81 M82 C83 F84 I113 L157 V170L21-V115 HydrophobicContact CD2-CG1 4.18Å; L81-V115 HydrophobicContact CD2-CG2 4.11Å; M82-V115 PolarHBondContact O-N 3.35Å; C83-V115 WeakPolarHBondContact CA-O 3.47Å; F84-V115 WeakPolarHBondContact CD1-O 3.42Å; F84-V115 PolarHBondContact N-O 3.44Å; I113-V115 HydrophobicContact CG2-CG2 4.11Å; V115-L157 CarbonylContact C-O 3.55Å; V115-L157 VanDerWaalsContact CA-O 3.29Å; V115-L157 WeakPolarHBondContact CA-O 3.42Å; V115-V170 HydrophobicContact CG1-CG1 4.49Å; V115-V170 HydrophobicContact CG1-CG2 4.16Å; V115-V170 HydrophobicContact CG2-CG1 3.72Å; V115-V170 HydrophobicContact CG2-CG2 4.39Å
116G98.9Very high97.6Very high0 Ų054.3 Ų54.30%027%0.266CS..EExtended strand (participates in β ladder)trans-87.4103166.100000109.8F84 L157 E158 C159F84-G116 VanDerWaalsContact CE1-CA 3.48Å; F84-G116 VanDerWaalsContact CZ-CA 3.42Å; G116-L157 PolarHBondContact N-O 2.73Å; G116-E158 CarbonylContact O-C 3.43Å; G116-E158 VanDerWaalsContact O-CA 3.25Å; G116-E158 WeakPolarHBondContact O-CA 3.45Å; G116-C159 PolarHBondContact O-N 2.96Å
117N98.9Very high97.4Very high4 Ų450.5 Ų50.52%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-88.8168.4-180-168.727.1000111.6C16 G17 F84 I86 C159 A161C16-N117 PolarHBondContact O-ND2 2.95Å; G17-N117 WeakPolarHBondContact CA-ND2 3.25Å; G17-N117 PolarHBondContact O-ND2 2.8Å; F84-N117 PolarHBondContact O-N 2.78Å; I86-N117 WeakPolarHBondContact CB-O 3.29Å; I86-N117 WeakPolarHBondContact CG1-O 3.39Å; I86-N117 PolarHBondContact N-O 3.1Å; N117-C159 CarbonylContact C-O 3.57Å; N117-C159 WeakPolarHBondContact CA-O 3.25Å; N117-A161 PolarHBondContact OD1-N 3.47Å
118K98.6Very high97.3Very high55 Ų5553.7 Ų53.724%0.23927%0.266CS..  trans64.437.8-178-45.6-170.8-162.7155.70113.8A15 S85 D87 D120 L121 C159A15-K118 WeakPolarHBondContact O-CE 3.28Å; A15-K118 PolarHBondContact O-NZ 2.86Å; S85-K118 WeakPolarHBondContact OG-CD 3.39Å; S85-K118 WeakPolarHBondContact OG-CE 3.47Å; S85-K118 PolarHBondContact OG-NZ 2.64Å; D87-K118 IonicContact OD1-NZ 2.68Å; D87-K118 PolarHBondContact OD1-NZ 2.92Å; D87-K118 VanDerWaalsContact OD1-NZ 3.13Å; D87-K118 IonicContact OD2-NZ 3.13Å; D87-K118 PolarHBondContact OD2-NZ 2.73Å; K118-D120 WeakPolarHBondContact CA-OD1 3.3Å; K118-D120 PolarHBondContact O-N 3.45Å; K118-D120 VanDerWaalsContact O-N 3.12Å; K118-L121 HydrophobicContact CB-CD1 3.73Å; K118-L121 HydrophobicContact CB-CG 4.11Å; K118-L121 HydrophobicContact CD-CD1 3.91Å; K118-L121 WeakPolarHBondContact O-CB 3.48Å; K118-L121 WeakPolarHBondContact O-CG 3.36Å; K118-L121 PolarHBondContact O-N 2.9Å; K118-L121 VanDerWaalsContact O-N 3.11Å; K118-C159 PolarHBondContact N-O 2.77Å
119Q98.7Very high97.4Very high24 Ų2454.8 Ų54.811%0.11226%0.263CS..G310 helixtrans-62.8-19.818081-1761.400113.9I86 L121 R122 E158 C159 E165I86-Q119 HydrophobicContact CD1-CB 3.52Å; Q119-L121 PolarHBondContact O-N 3.07Å; Q119-L121 VanDerWaalsContact O-N 3.16Å; Q119-R122 WeakPolarHBondContact O-CB 3.28Å; Q119-R122 WeakPolarHBondContact O-CG 3.4Å; Q119-R122 PolarHBondContact O-N 3.34Å; Q119-R122 VanDerWaalsContact O-N 3.08Å; Q119-E158 HydrophobicContact CB-CB 4.28Å; Q119-E158 VanDerWaalsContact OE1-CB 3.23Å; Q119-E158 PolarHBondContact OE1-O 3.35Å; Q119-C159 WeakPolarHBondContact CB-O 3.29Å; Q119-C159 VanDerWaalsContact CG-C 3.49Å; Q119-C159 PolarHBondContact N-O 3.32Å; Q119-E165 VanDerWaalsContact NE2-CB 3.34Å; Q119-E165 PolarHBondContact NE2-OE1 3.26Å; Q119-E165 PolarHBondContact NE2-OE2 3.04Å
120D98.3Very high97.4Very high27 Ų2752.9 Ų52.914%0.14425%0.249CC..G310 helixtrans-57.8-26.5174.856.9-70.2000112.5K118 R122 N123 S160 K162 T163K118-D120 WeakPolarHBondContact CA-OD1 3.3Å; K118-D120 PolarHBondContact O-N 3.45Å; K118-D120 VanDerWaalsContact O-N 3.12Å; D120-R122 PolarHBondContact O-N 3.2Å; D120-N123 PolarHBondContact O-N 2.58Å; D120-S160 VanDerWaalsContact CG-OG 3.26Å; D120-S160 WeakPolarHBondContact OD1-CB 3.33Å; D120-S160 PolarHBondContact OD1-OG 2.89Å; D120-K162 WeakPolarHBondContact OD2-CD 3.35Å; D120-T163 HydrophobicContact CB-CG2 3.74Å
121L98.3Very high97.3Very high21 Ų2152.3 Ų52.311%0.1125%0.245CC..G310 helixtrans-67.7-17.7178.6-59.5179000113.4D87 K118 Q119 N123 D124 A127 L138D87-L121 HydrophobicContact CB-CD1 3.54Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.3Å; K118-L121 HydrophobicContact CB-CD1 3.73Å; K118-L121 HydrophobicContact CB-CG 4.11Å; K118-L121 HydrophobicContact CD-CD1 3.91Å; K118-L121 WeakPolarHBondContact O-CB 3.48Å; K118-L121 WeakPolarHBondContact O-CG 3.36Å; K118-L121 PolarHBondContact O-N 2.9Å; K118-L121 VanDerWaalsContact O-N 3.11Å; Q119-L121 PolarHBondContact O-N 3.07Å; Q119-L121 VanDerWaalsContact O-N 3.16Å; L121-N123 PolarHBondContact O-N 2.95Å; L121-D124 HydrophobicContact CD2-CB 4.29Å; L121-D124 PolarHBondContact O-N 2.85Å; L121-A127 HydrophobicContact CB-CB 3.96Å; L121-A127 HydrophobicContact CD2-CB 4.08Å; L121-A127 HydrophobicContact CG-CB 4.46Å; L121-L138 HydrophobicContact CB-CD2 4.41Å; L121-L138 WeakPolarHBondContact O-CD1 3.44Å
122R97.2Very high97.2Very high64 Ų6454.2 Ų54.224%0.24226%0.263CS..G310 helixtrans-58.9-29.9174.3-67-169.5-179.7-64.2-1.6112.7I86 Q119 D120 H128 L138 V139 S141 E158I86-R122 HydrophobicContact CG2-CG 4.19Å; Q119-R122 WeakPolarHBondContact O-CB 3.28Å; Q119-R122 WeakPolarHBondContact O-CG 3.4Å; Q119-R122 PolarHBondContact O-N 3.34Å; Q119-R122 VanDerWaalsContact O-N 3.08Å; D120-R122 PolarHBondContact O-N 3.2Å; R122-H128 PolarHBondContact O-NE2 3.4Å; R122-L138 HydrophobicContact CG-CD1 4.43Å; R122-V139 PolarHBondContact NH1-O 3.17Å; R122-V139 PolarHBondContact NH2-O 3.34Å; R122-S141 PolarHBondContact NH2-OG 3.3Å; R122-E158 IonicContact CZ-OE1 2.96Å; R122-E158 IonicContact CZ-OE2 2.91Å; R122-E158 VanDerWaalsContact CZ-OE2 3.31Å; R122-E158 IonicContact NE-OE2 3.96Å; R122-E158 PolarHBondContact NE-OE2 2.91Å; R122-E158 VanDerWaalsContact NH2-CD 3.26Å; R122-E158 IonicContact NH2-OE1 3.06Å; R122-E158 PolarHBondContact NH2-OE1 3.18Å; R122-E158 IonicContact NH2-OE2 2.87Å; R122-E158 PolarHBondContact NH2-OE2 3.34Å
123N95.1Very high97Very high147 Ų14759.4 Ų59.479%0.78629%0.285SS*.G310 helixtrans-104.811.2179.2-57.5-46.3000112.2D120 L121D120-N123 PolarHBondContact O-N 2.58Å; L121-N123 PolarHBondContact O-N 2.95Å
124D95.9Very high96.8Very high51 Ų5163.9 Ų63.927%0.27331%0.312SS..  trans-102102178.8-171.5-12.6000110.4L121 R126 A127 H128L121-D124 HydrophobicContact CD2-CB 4.29Å; L121-D124 PolarHBondContact O-N 2.85Å; D124-R126 PolarHBondContact O-N 3.03Å; D124-R126 VanDerWaalsContact O-N 3.12Å; D124-R126 VanDerWaalsContact OD1-CB 3.29Å; D124-R126 WeakPolarHBondContact OD1-CB 3.38Å; D124-R126 PolarHBondContact OD1-N 2.92Å; D124-A127 HydrophobicContact CB-CB 3.98Å; D124-A127 WeakPolarHBondContact O-CB 3.4Å; D124-A127 PolarHBondContact O-N 3.04Å; D124-H128 PolarHBondContact O-CD2 3.21Å; D124-H128 VanDerWaalsContact O-CD2 3.23Å; D124-H128 PolarHBondContact O-N 2.98Å
125E95.9Very high96.6Very high150 Ų15075.3 Ų75.370%0.70136%0.355SS*.Hα-helixtrans-54-30.5176.7-66.7-60147.400113.1H129E125-H129 WeakPolarHBondContact O-CB 3.15Å; E125-H129 PolarHBondContact O-N 2.92Å
126R95.9Very high96.4Very high198 Ų19878.4 Ų78.475%0.74737%0.37SS*.Hα-helixtrans-69.4-40.5176.8-61.5178.7178.9173.5-0.2110.7D124 H128 H129 E130D124-R126 PolarHBondContact O-N 3.03Å; D124-R126 VanDerWaalsContact O-N 3.12Å; D124-R126 VanDerWaalsContact OD1-CB 3.29Å; D124-R126 WeakPolarHBondContact OD1-CB 3.38Å; D124-R126 PolarHBondContact OD1-N 2.92Å; R126-H128 VanDerWaalsContact C-N 3.34Å; R126-H128 PolarHBondContact O-N 2.9Å; R126-H129 PolarHBondContact O-N 2.96Å; R126-E130 WeakPolarHBondContact O-CG 3.43Å; R126-E130 PolarHBondContact O-N 2.84Å
127A95.1Very high96.3Very high15 Ų1584.3 Ų84.312%0.12440%0.397CS..Hα-helixtrans-61.8-44.2177.300000111.3L121 D124 H129 E130 L131L121-A127 HydrophobicContact CB-CB 3.96Å; L121-A127 HydrophobicContact CD2-CB 4.08Å; L121-A127 HydrophobicContact CG-CB 4.46Å; D124-A127 HydrophobicContact CB-CB 3.98Å; D124-A127 WeakPolarHBondContact O-CB 3.4Å; D124-A127 PolarHBondContact O-N 3.04Å; A127-H129 VanDerWaalsContact C-N 3.35Å; A127-H129 PolarHBondContact O-N 2.94Å; A127-E130 PolarHBondContact O-N 3.46Å; A127-L131 PolarHBondContact O-N 3.23Å; A127-L131 VanDerWaalsContact O-N 3.14Å
128H95.6Very high96.3Very high76 Ų7684.7 Ų84.735%0.35240%0.399SS..Hα-helixtrans-59.1-45.7172.7-71-77.4000111.9R122 D124 R126 L131 A132 L138R122-H128 PolarHBondContact O-NE2 3.4Å; D124-H128 PolarHBondContact O-CD2 3.21Å; D124-H128 VanDerWaalsContact O-CD2 3.23Å; D124-H128 PolarHBondContact O-N 2.98Å; R126-H128 VanDerWaalsContact C-N 3.34Å; R126-H128 PolarHBondContact O-N 2.9Å; H128-L131 PolarHBondContact O-N 2.96Å; H128-A132 WeakPolarHBondContact O-CB 3.49Å; H128-A132 PolarHBondContact O-N 3.33Å; H128-L138 VanDerWaalsContact CE1-CD1 3.42Å; H128-L138 WeakPolarHBondContact CE1-CD1 3.45Å
129H96.3Very high96.3Very high110 Ų11082.1 Ų82.151%0.50939%0.388SS..Hα-helixtrans-64.2-43.6-179.5-174.967.9000112.9E125 R126 A127 A132 K133E125-H129 WeakPolarHBondContact O-CB 3.15Å; E125-H129 PolarHBondContact O-N 2.92Å; R126-H129 PolarHBondContact O-N 2.96Å; A127-H129 VanDerWaalsContact C-N 3.35Å; A127-H129 PolarHBondContact O-N 2.94Å; H129-A132 PolarHBondContact O-N 3.43Å; H129-K133 WeakPolarHBondContact CD2-CE 3.47Å; H129-K133 WeakPolarHBondContact NE2-CE 3.07Å; H129-K133 WeakPolarHBondContact O-CG 3.18Å; H129-K133 PolarHBondContact O-N 2.97Å
130E95Very high96.3Very high101 Ų10186.2 Ų86.247%0.47241%0.405SS..Hα-helixtrans-66-40179.2-66.6-48.1131.100112.1R126 A127 K133R126-E130 WeakPolarHBondContact O-CG 3.43Å; R126-E130 PolarHBondContact O-N 2.84Å; A127-E130 PolarHBondContact O-N 3.46Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 2.98Å; E130-K133 IonicContact OE1-NZ 2.82Å; E130-K133 PolarHBondContact OE1-NZ 3.3Å; E130-K133 WeakPolarHBondContact OE2-CD 3.36Å; E130-K133 IonicContact OE2-NZ 2.87Å; E130-K133 PolarHBondContact OE2-NZ 3.1Å
131L95.3Very high96.3Very high18 Ų1886.9 Ų86.99%0.09441%0.412CS..Hα-helixtrans-68.3-38.2175.4-73169.2000112.2D87 A127 H128 K133 V134 R135 Q136 L138D87-L131 HydrophobicContact CB-CD1 4.44Å; A127-L131 PolarHBondContact O-N 3.23Å; A127-L131 VanDerWaalsContact O-N 3.14Å; H128-L131 PolarHBondContact O-N 2.96Å; L131-K133 PolarHBondContact O-N 3.47Å; L131-V134 CarbonylContact O-C 3.42Å; L131-V134 WeakPolarHBondContact O-CG2 3.35Å; L131-V134 PolarHBondContact O-N 2.68Å; L131-R135 PolarHBondContact O-N 3.05Å; L131-R135 VanDerWaalsContact O-N 3.09Å; L131-Q136 CarbonylContact C-O 3.22Å; L131-Q136 HydrophobicContact CB-CB 4.31Å; L131-Q136 WeakPolarHBondContact CB-O 3.24Å; L131-Q136 HydrophobicContact CD2-CB 3.95Å; L131-Q136 PolarHBondContact O-N 3.38Å; L131-L138 HydrophobicContact CD1-CD2 3.32Å; L131-L138 HydrophobicContact CD1-CG 3.89Å
132A95.6Very high96.3Very high63 Ų6392.3 Ų92.352%0.52144%0.437SS..Hα-helixtrans-60.8-33176.200000112.5H128 H129 V134 R135H128-A132 WeakPolarHBondContact O-CB 3.49Å; H128-A132 PolarHBondContact O-N 3.33Å; H129-A132 PolarHBondContact O-N 3.43Å; A132-V134 PolarHBondContact O-N 2.79Å; A132-R135 PolarHBondContact O-N 3.45Å
133K96.3Very high96.4Very high123 Ų12393 Ų9354%0.53544%0.443SS..Hα-helixtrans-60.1-31.7174.8-70.1174.2-171168.70112.7H129 E130 L131H129-K133 WeakPolarHBondContact CD2-CE 3.47Å; H129-K133 WeakPolarHBondContact NE2-CE 3.07Å; H129-K133 WeakPolarHBondContact O-CG 3.18Å; H129-K133 PolarHBondContact O-N 2.97Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 2.98Å; E130-K133 IonicContact OE1-NZ 2.82Å; E130-K133 PolarHBondContact OE1-NZ 3.3Å; E130-K133 WeakPolarHBondContact OE2-CD 3.36Å; E130-K133 IonicContact OE2-NZ 2.87Å; E130-K133 PolarHBondContact OE2-NZ 3.1Å; L131-K133 PolarHBondContact O-N 3.47Å
134V94.4Very high96.5Very high94 Ų9486 Ų8657%0.5741%0.406SS*.THydrogen-bonded Turntrans-102.713.7177.4-62.20000112.7L131 A132 Q136L131-V134 CarbonylContact O-C 3.42Å; L131-V134 WeakPolarHBondContact O-CG2 3.35Å; L131-V134 PolarHBondContact O-N 2.68Å; A132-V134 PolarHBondContact O-N 2.79Å; V134-Q136 HydrophobicContact CG2-CB 4.17Å; V134-Q136 HydrophobicContact CG2-CG 4.21Å; V134-Q136 PolarHBondContact O-N 2.95Å
135R94.8Very high96.7Very high240 Ų24090.9 Ų90.991%0.90642%0.42SS*.THydrogen-bonded Turntrans57.633-179.5-54.7-179.8176.8-175.7-1.5113.8L131 A132L131-R135 PolarHBondContact O-N 3.05Å; L131-R135 VanDerWaalsContact O-N 3.09Å; A132-R135 PolarHBondContact O-N 3.45Å
136Q95.2Very high96.8Very high66 Ų6688.8 Ų88.831%0.30841%0.413SS..  trans-109162.6172.1-70-179-31.700110.2T89 L131 V134T89-Q136 PolarHBondContact OG1-NE2 2.93Å; L131-Q136 CarbonylContact C-O 3.22Å; L131-Q136 HydrophobicContact CB-CB 4.31Å; L131-Q136 WeakPolarHBondContact CB-O 3.24Å; L131-Q136 HydrophobicContact CD2-CB 3.95Å; L131-Q136 PolarHBondContact O-N 3.38Å; V134-Q136 HydrophobicContact CG2-CB 4.17Å; V134-Q136 HydrophobicContact CG2-CG 4.21Å; V134-Q136 PolarHBondContact O-N 2.95Å
137E96.5Very high97Very high124 Ų12479.7 Ų79.758%0.57938%0.38SS*.  trans-123.9162.8172.1-66.3-175.9172.700109K140E137-K140 WeakPolarHBondContact OE2-CE 3.4Å; E137-K140 IonicContact OE2-NZ 3.21Å; E137-K140 PolarHBondContact OE2-NZ 3.49Å
138L98.1Very high97.1Very high11 Ų1179.3 Ų79.36%0.05838%0.376CS..PPolyproline II helixtrans-62.9141168.5-63.3175.6000110I86 D87 L121 R122 H128 L131 K140I86-L138 HydrophobicContact CG2-CB 4.17Å; I86-L138 HydrophobicContact CG2-CD2 4.3Å; I86-L138 WeakPolarHBondContact O-CA 3.37Å; D87-L138 HydrophobicContact CB-CD2 3.97Å; L121-L138 HydrophobicContact CB-CD2 4.41Å; L121-L138 WeakPolarHBondContact O-CD1 3.44Å; R122-L138 HydrophobicContact CG-CD1 4.43Å; H128-L138 VanDerWaalsContact CE1-CD1 3.42Å; H128-L138 WeakPolarHBondContact CE1-CD1 3.45Å; L131-L138 HydrophobicContact CD1-CD2 3.32Å; L131-L138 HydrophobicContact CD1-CG 3.89Å; L138-K140 PolarHBondContact O-N 3.32Å
139V98.4Very high97.3Very high1 Ų181.5 Ų81.51%0.00639%0.39CS..PPolyproline II helixtrans-57.7124.2174.8175.40000109.6F84 I86 T89 L92 R122 E143F84-V139 HydrophobicContact CE2-CB 4.16Å; F84-V139 HydrophobicContact CE2-CG1 3.75Å; F84-V139 HydrophobicContact CE2-CG2 4.38Å; F84-V139 HydrophobicContact CZ-CG1 4.24Å; I86-V139 PolarHBondContact O-N 3.04Å; T89-V139 HydrophobicContact CG2-CG2 4.11Å; L92-V139 HydrophobicContact CB-CG2 4.42Å; L92-V139 HydrophobicContact CD2-CG1 3.56Å; L92-V139 HydrophobicContact CD2-CG2 4.47Å; R122-V139 PolarHBondContact NH1-O 3.17Å; R122-V139 PolarHBondContact NH2-O 3.34Å; V139-E143 HydrophobicContact CG1-CB 4.08Å
140K98.3Very high97.4Very high110 Ų11083.3 Ų83.348%0.47839%0.393SS..PPolyproline II helixtrans-77.4150.1178.3-63.2167.3-174.91590110E137 L138 E142 E143 G144E137-K140 WeakPolarHBondContact OE2-CE 3.4Å; E137-K140 IonicContact OE2-NZ 3.21Å; E137-K140 PolarHBondContact OE2-NZ 3.49Å; L138-K140 PolarHBondContact O-N 3.32Å; K140-E142 PolarHBondContact O-N 3.27Å; K140-E142 VanDerWaalsContact O-N 3.14Å; K140-E143 HydrophobicContact CB-CG 4.25Å; K140-E143 VanDerWaalsContact CB-OE2 3.24Å; K140-E143 WeakPolarHBondContact CB-OE2 3.08Å; K140-E143 WeakPolarHBondContact CG-OE2 3.42Å; K140-E143 PolarHBondContact N-OE2 2.93Å; K140-E143 WeakPolarHBondContact O-CB 3.14Å; K140-E143 PolarHBondContact O-N 3.12Å; K140-G144 PolarHBondContact O-N 2.91Å
141S98.6Very high97.5Very high41 Ų4178.7 Ų78.729%0.28737%0.371SS..Hα-helixtrans-59.7-28.7179.6-56.40000113.4R122 R145 Y156 E158R122-S141 PolarHBondContact NH2-OG 3.3Å; S141-R145 WeakPolarHBondContact O-CG 3.42Å; S141-R145 PolarHBondContact O-N 2.89Å; S141-R145 VanDerWaalsContact O-N 3.16Å; S141-Y156 WeakPolarHBondContact O-CE1 3.48Å; S141-E158 WeakPolarHBondContact CA-OE1 3.42Å; S141-E158 WeakPolarHBondContact CB-OE1 3.32Å; S141-E158 PolarHBondContact OG-OE1 2.96Å; S141-E158 PolarHBondContact OG-OE2 3.22Å
142E98.7Very high97.6Very high136 Ų13684.7 Ų84.764%0.63640%0.403SS*.Hα-helixtrans-65.9-39.7174.7-174.8171.5-169.500112.1K140 G144 R145 L146K140-E142 PolarHBondContact O-N 3.27Å; K140-E142 VanDerWaalsContact O-N 3.14Å; E142-G144 PolarHBondContact O-N 2.87Å; E142-R145 WeakPolarHBondContact O-CB 3.25Å; E142-R145 PolarHBondContact O-N 2.66Å; E142-L146 HydrophobicContact CG-CD1 4.4Å; E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 2.89Å
143E98.7Very high97.8Very high78 Ų7882.3 Ų82.336%0.36438%0.384SS..Hα-helixtrans-63-45.1178.1-62.4173.388.700110.8L92 V139 K140 R145 L146 V147L92-E143 HydrophobicContact CD2-CB 4Å; V139-E143 HydrophobicContact CG1-CB 4.08Å; K140-E143 HydrophobicContact CB-CG 4.25Å; K140-E143 VanDerWaalsContact CB-OE2 3.24Å; K140-E143 WeakPolarHBondContact CB-OE2 3.08Å; K140-E143 WeakPolarHBondContact CG-OE2 3.42Å; K140-E143 PolarHBondContact N-OE2 2.93Å; K140-E143 WeakPolarHBondContact O-CB 3.14Å; K140-E143 PolarHBondContact O-N 3.12Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 2.63Å; E143-L146 PolarHBondContact O-N 2.47Å; E143-V147 WeakPolarHBondContact O-CG2 3.16Å; E143-V147 PolarHBondContact O-N 3.11Å
144G98.8Very high97.9Very high0 Ų081.9 Ų81.90%038%0.38CS..Hα-helixtrans-60-38.6173.800000113.3L114 K140 E142 V147 C148L114-G144 VanDerWaalsContact CD2-O 3.28Å; L114-G144 WeakPolarHBondContact CD2-O 3.21Å; K140-G144 PolarHBondContact O-N 2.91Å; E142-G144 PolarHBondContact O-N 2.87Å; G144-V147 PolarHBondContact O-N 3.45Å; G144-C148 WeakPolarHBondContact O-CB 3.42Å; G144-C148 PolarHBondContact O-N 2.96Å
145R98.8Very high98.1Very high154 Ų15478.4 Ų78.458%0.58136%0.363SS*.Hα-helixtrans-65.9-44.5174.7-71.4174.7-171162.54.2112.1S141 E142 E143 V147 C148 D149 Y156S141-R145 WeakPolarHBondContact O-CG 3.42Å; S141-R145 PolarHBondContact O-N 2.89Å; S141-R145 VanDerWaalsContact O-N 3.16Å; E142-R145 WeakPolarHBondContact O-CB 3.25Å; E142-R145 PolarHBondContact O-N 2.66Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 2.63Å; R145-V147 VanDerWaalsContact C-N 3.27Å; R145-V147 PolarHBondContact O-N 3.06Å; R145-C148 VanDerWaalsContact O-CB 3.3Å; R145-C148 WeakPolarHBondContact O-CB 2.94Å; R145-C148 PolarHBondContact O-N 3.43Å; R145-C148 VanDerWaalsContact O-N 3.11Å; R145-D149 PolarHBondContact O-N 2.96Å; R145-Y156 HydrophobicContact CG-CD1 3.6Å; R145-Y156 HydrophobicContact CG-CE1 4.19Å; R145-Y156 HydrophobicContact CG-CG 4.5Å
146L98.8Very high98.3Very high105 Ų10568.6 Ų68.655%0.5533%0.326SS..Hα-helixtrans-59.4-40.5176.6-70.7172.3000111.4E142 E143 R150E142-L146 HydrophobicContact CG-CD1 4.4Å; E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 2.89Å; E143-L146 PolarHBondContact O-N 2.47Å; L146-R150 VanDerWaalsContact O-CB 3.25Å; L146-R150 WeakPolarHBondContact O-CB 3.13Å; L146-R150 PolarHBondContact O-N 3.13Å
147V98.9Very high98.4Very high8 Ų867.2 Ų67.25%0.04832%0.321CS..Hα-helixtrans-66.5-42.2174.5176.20000111.8L92 I95 T96 L114 E143 G144 R145 D149 R150 I151L92-V147 HydrophobicContact CD1-CB 3.9Å; L92-V147 HydrophobicContact CD1-CG1 4Å; L92-V147 HydrophobicContact CD1-CG2 3.68Å; L92-V147 HydrophobicContact CD2-CG2 4Å; L92-V147 HydrophobicContact CG-CG2 3.86Å; I95-V147 HydrophobicContact CB-CG1 4.18Å; I95-V147 HydrophobicContact CG2-CG1 3.7Å; T96-V147 HydrophobicContact CG2-CG1 3.76Å; L114-V147 HydrophobicContact CD2-CB 4.05Å; L114-V147 HydrophobicContact CD2-CG1 3.91Å; E143-V147 WeakPolarHBondContact O-CG2 3.16Å; E143-V147 PolarHBondContact O-N 3.11Å; G144-V147 PolarHBondContact O-N 3.45Å; R145-V147 VanDerWaalsContact C-N 3.27Å; R145-V147 PolarHBondContact O-N 3.06Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 3.42Å; V147-R150 PolarHBondContact O-N 2.99Å; V147-I151 HydrophobicContact CG1-CG2 4.42Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.11Å
148C98.8Very high98.5Very high7 Ų762.9 Ų62.95%0.04730%0.3CS..Hα-helixtrans-55.7-46.8175.7-178.50000112.1L114 G144 R145 N152 A153L114-C148 HydrophobicContact CD2-CB 3.92Å; G144-C148 WeakPolarHBondContact O-CB 3.42Å; G144-C148 PolarHBondContact O-N 2.96Å; R145-C148 VanDerWaalsContact O-CB 3.3Å; R145-C148 WeakPolarHBondContact O-CB 2.94Å; R145-C148 PolarHBondContact O-N 3.43Å; R145-C148 VanDerWaalsContact O-N 3.11Å; C148-N152 PolarHBondContact O-N 2.95Å; C148-N152 VanDerWaalsContact O-N 3.1Å; C148-A153 PolarHBondContact O-N 3.18Å
149D98.7Very high98.6Very high121 Ų12162.3 Ų62.365%0.64730%0.297SS*.Hα-helixtrans-65.4-45.2177.3-66.8-19.6000110.8R145 V147 I151 N152R145-D149 PolarHBondContact O-N 2.96Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 3.42Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 2.9Å; D149-N152 PolarHBondContact O-N 3.36Å
150R98.5Very high98.6Very high148 Ų14862.3 Ų62.356%0.55830%0.297SS*.Hα-helixtrans-58.2-38179.4179.5168.559.5157.42.7112.9T96 L146 V147T96-R150 PolarHBondContact OG1-NH2 3.46Å; L146-R150 VanDerWaalsContact O-CB 3.25Å; L146-R150 WeakPolarHBondContact O-CB 3.13Å; L146-R150 PolarHBondContact O-N 3.13Å; V147-R150 PolarHBondContact O-N 2.99Å
151I98.2Very high98.6Very high4 Ų457.1 Ų57.12%0.02128%0.275CS..THydrogen-bonded Turntrans-91.9-1.8178.672.4179.4000113.5M82 I95 T96 Y100 I112 L114 V147 D149 A153M82-I151 HydrophobicContact SD-CD1 4.02Å; I95-I151 HydrophobicContact CG2-CD1 3.94Å; T96-I151 HydrophobicContact CG2-CG2 3.62Å; Y100-I151 HydrophobicContact CD1-CB 4.31Å; Y100-I151 HydrophobicContact CD1-CG2 4.02Å; Y100-I151 HydrophobicContact CD2-CB 3.62Å; Y100-I151 HydrophobicContact CD2-CG1 4.47Å; Y100-I151 HydrophobicContact CD2-CG2 4.03Å; Y100-I151 HydrophobicContact CE1-CB 4.47Å; Y100-I151 HydrophobicContact CE2-CB 3.78Å; Y100-I151 WeakPolarHBondContact CE2-O 3.37Å; Y100-I151 HydrophobicContact CG-CB 3.87Å; Y100-I151 HydrophobicContact CG-CG2 3.72Å; Y100-I151 PolarHBondContact OH-O 3.25Å; I112-I151 HydrophobicContact CG2-CD1 4.47Å; L114-I151 HydrophobicContact CD1-CD1 4.5Å; V147-I151 HydrophobicContact CG1-CG2 4.42Å; V147-I151 WeakPolarHBondContact O-CG1 3.42Å; V147-I151 PolarHBondContact O-N 3.11Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 2.9Å; I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 HydrophobicContact CD1-CB 3.94Å; I151-A153 HydrophobicContact CG1-CB 3.75Å; I151-A153 PolarHBondContact O-N 3.38Å
152N97.4Very high98.6Very high144 Ų14461.1 Ų61.177%0.7729%0.287SS*.THydrogen-bonded Turntrans5345.3-173.5-17256.4000112.1C148 D149C148-N152 PolarHBondContact O-N 2.95Å; C148-N152 VanDerWaalsContact O-N 3.1Å; D149-N152 PolarHBondContact O-N 3.36Å
153A98.6Very high98.6Very high14 Ų1458.2 Ų58.212%0.11628%0.279CS..  trans-70.4154.2173.600000110.7I112 L114 C148 I151 G155I112-A153 HydrophobicContact CB-CB 4.28Å; I112-A153 HydrophobicContact CG2-CB 4.27Å; I112-A153 CarbonylContact O-C 3.6Å; I112-A153 WeakPolarHBondContact O-CB 3.28Å; L114-A153 HydrophobicContact CB-CB 4.41Å; C148-A153 PolarHBondContact O-N 3.18Å; I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 HydrophobicContact CD1-CB 3.94Å; I151-A153 HydrophobicContact CG1-CB 3.75Å; I151-A153 PolarHBondContact O-N 3.38Å; A153-G155 PolarHBondContact O-N 3.36Å
154Y98.1Very high98.5Very high114 Ų11458.8 Ų58.845%0.44728%0.28SS..SBendtrans-64.1-27.2178.4-177.6-88.6000112.3I112 I113 T173 A177I112-Y154 WeakPolarHBondContact O-CB 3.36Å; I112-Y154 PolarHBondContact O-N 3.5Å; I113-Y154 HydrophobicContact CD1-CD1 3.59Å; I113-Y154 HydrophobicContact CD1-CG 4.01Å; Y154-T173 HydrophobicContact CD1-CG2 4.11Å; Y154-T173 HydrophobicContact CE1-CG2 4.02Å; Y154-A177 HydrophobicContact CD1-CB 3.82Å; Y154-A177 HydrophobicContact CD2-CB 3.98Å; Y154-A177 HydrophobicContact CE1-CB 3.9Å; Y154-A177 HydrophobicContact CE2-CB 4.07Å; Y154-A177 HydrophobicContact CG-CB 3.87Å
155G98.5Very high98.5Very high20 Ų2064.1 Ų64.121%0.20631%0.305CS..EExtended strand (participates in β ladder)trans178.9163.9173.500000112.6L114 A153L114-G155 PolarHBondContact N-O 2.87Å; A153-G155 PolarHBondContact O-N 3.36Å
156Y98.9Very high98.5Very high35 Ų3558.1 Ų58.114%0.13729%0.291CS..EExtended strand (participates in β ladder)trans-112.2132.3174.5173.8-122.1000110.5F84 L114 S141 R145 E158F84-Y156 HydrophobicContact CE1-CD2 4.49Å; F84-Y156 AromaticContact CE1-CE2 3.66Å; F84-Y156 HydrophobicContact CE1-CE2 3.66Å; F84-Y156 AromaticContact CZ-CE2 3.79Å; F84-Y156 HydrophobicContact CZ-CE2 3.79Å; L114-Y156 HydrophobicContact CB-CD2 4.2Å; L114-Y156 HydrophobicContact CD2-CD2 3.96Å; L114-Y156 HydrophobicContact CG-CD2 3.92Å; L114-Y156 HydrophobicContact CG-CE2 4.47Å; L114-Y156 WeakPolarHBondContact O-CA 3.16Å; S141-Y156 WeakPolarHBondContact O-CE1 3.48Å; R145-Y156 HydrophobicContact CG-CD1 3.6Å; R145-Y156 HydrophobicContact CG-CE1 4.19Å; R145-Y156 HydrophobicContact CG-CG 4.5Å; Y156-E158 HydrophobicContact CE1-CG 3.93Å; Y156-E158 HydrophobicContact CE2-CG 4.22Å; Y156-E158 VanDerWaalsContact CZ-CG 3.5Å; Y156-E158 WeakPolarHBondContact OH-CG 3.37Å; Y156-E158 PolarHBondContact OH-OE1 3.45Å
157L98.9Very high98.5Very high37 Ų3753.4 Ų53.419%0.19427%0.266CS..EExtended strand (participates in β ladder)trans-136142.7177-66.7165.6000109.9I113 L114 V115 G116 K169 V170 T173I113-L157 HydrophobicContact CG2-CD1 4.1Å; L114-L157 PolarHBondContact O-N 2.91Å; V115-L157 CarbonylContact C-O 3.55Å; V115-L157 VanDerWaalsContact CA-O 3.29Å; V115-L157 WeakPolarHBondContact CA-O 3.42Å; G116-L157 PolarHBondContact N-O 2.73Å; L157-K169 HydrophobicContact CD2-CG 4.13Å; L157-V170 HydrophobicContact CB-CG2 3.97Å; L157-V170 HydrophobicContact CD1-CB 4.47Å; L157-V170 HydrophobicContact CD1-CG2 4.16Å; L157-T173 HydrophobicContact CD1-CG2 4.01Å
158E98.9Very high98.5Very high32 Ų3261 Ų6115%0.1529%0.294CS..EExtended strand (participates in β ladder)trans-102.7146.9167.8-65.5-176.3-162.600109.6I86 G116 Q119 R122 S141 Y156I86-E158 HydrophobicContact CD1-CB 4.3Å; I86-E158 HydrophobicContact CD1-CG 4.11Å; G116-E158 CarbonylContact O-C 3.43Å; G116-E158 VanDerWaalsContact O-CA 3.25Å; G116-E158 WeakPolarHBondContact O-CA 3.45Å; Q119-E158 HydrophobicContact CB-CB 4.28Å; Q119-E158 VanDerWaalsContact OE1-CB 3.23Å; Q119-E158 PolarHBondContact OE1-O 3.35Å; R122-E158 IonicContact CZ-OE1 2.96Å; R122-E158 IonicContact CZ-OE2 2.91Å; R122-E158 VanDerWaalsContact CZ-OE2 3.31Å; R122-E158 IonicContact NE-OE2 3.96Å; R122-E158 PolarHBondContact NE-OE2 2.91Å; R122-E158 VanDerWaalsContact NH2-CD 3.26Å; R122-E158 IonicContact NH2-OE1 3.06Å; R122-E158 PolarHBondContact NH2-OE1 3.18Å; R122-E158 IonicContact NH2-OE2 2.87Å; R122-E158 PolarHBondContact NH2-OE2 3.34Å; S141-E158 WeakPolarHBondContact CA-OE1 3.42Å; S141-E158 WeakPolarHBondContact CB-OE1 3.32Å; S141-E158 PolarHBondContact OG-OE1 2.96Å; S141-E158 PolarHBondContact OG-OE2 3.22Å; Y156-E158 HydrophobicContact CE1-CG 3.93Å; Y156-E158 HydrophobicContact CE2-CG 4.22Å; Y156-E158 VanDerWaalsContact CZ-CG 3.5Å; Y156-E158 WeakPolarHBondContact OH-CG 3.37Å; Y156-E158 PolarHBondContact OH-OE1 3.45Å
159C98.9Very high98.5Very high0 Ų065.9 Ų65.90%032%0.315CS..  trans-153168.4175.767.10000111.5G116 N117 K118 Q119 E165 V167 V170G116-C159 PolarHBondContact O-N 2.96Å; N117-C159 CarbonylContact C-O 3.57Å; N117-C159 WeakPolarHBondContact CA-O 3.25Å; K118-C159 PolarHBondContact N-O 2.77Å; Q119-C159 WeakPolarHBondContact CB-O 3.29Å; Q119-C159 VanDerWaalsContact CG-C 3.49Å; Q119-C159 PolarHBondContact N-O 3.32Å; C159-E165 CarbonylContact C-O 3.54Å; C159-E165 VanDerWaalsContact CA-O 3.28Å; C159-E165 WeakPolarHBondContact CA-O 3.44Å; C159-E165 VanDerWaalsContact CB-O 3.28Å; C159-E165 WeakPolarHBondContact CB-O 3.42Å; C159-V167 HydrophobicContact CB-CG2 4.46Å; C159-V170 HydrophobicContact CB-CG2 4.04Å
160S98.8Very high98.5Very high0 Ų060.1 Ų60.10%028%0.284CS..  trans-127.4114.8164.6173.20000109D120 K162 T163 K164 E165 V167D120-S160 VanDerWaalsContact CG-OG 3.26Å; D120-S160 WeakPolarHBondContact OD1-CB 3.33Å; D120-S160 PolarHBondContact OD1-OG 2.89Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 2.96Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.42Å; S160-T163 PolarHBondContact OG-N 3.23Å; S160-T163 PolarHBondContact OG-OG1 2.99Å; S160-K164 CarbonylContact O-C 3.59Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.47Å; S160-K164 PolarHBondContact O-N 3.1Å; S160-E165 PolarHBondContact N-O 3.2Å; S160-E165 PolarHBondContact O-N 3.08Å; S160-V167 WeakPolarHBondContact O-CG2 3.35Å
161A98.7Very high98.5Very high2 Ų253.1 Ų53.12%0.01726%0.257CS..THydrogen-bonded Turntrans-57.5-36.2167.200000111.3C20 L21 V24 F30 N117C20-A161 HydrophobicContact CB-CB 3.93Å; L21-A161 HydrophobicContact CB-CB 4.35Å; L21-A161 HydrophobicContact CD1-CB 4.4Å; V24-A161 HydrophobicContact CG2-CB 4.26Å; V24-A161 VanDerWaalsContact CG2-O 3.28Å; V24-A161 WeakPolarHBondContact CG2-O 3.44Å; F30-A161 HydrophobicContact CD2-CB 4.22Å; F30-A161 WeakPolarHBondContact CD2-O 3.08Å; F30-A161 HydrophobicContact CE2-CB 4.05Å; N117-A161 PolarHBondContact OD1-N 3.47Å
162K97.9Very high98.5Very high124 Ų12454.8 Ų54.854%0.53927%0.265SS..THydrogen-bonded Turntrans-66.6-44.9-176.3-174.2-179.1175.3-171.50112.8F30 D120 S160F30-K162 VanDerWaalsContact CD2-CA 3.47Å; F30-K162 HydrophobicContact CD2-CB 4.21Å; F30-K162 HydrophobicContact CE2-CB 3.89Å; F30-K162 HydrophobicContact CZ-CB 4.15Å; F30-K162 HydrophobicContact CZ-CG 4.41Å; D120-K162 WeakPolarHBondContact OD2-CD 3.35Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 2.96Å
163T97.9Very high98.6Very high75 Ų7548.7 Ų48.746%0.4623%0.233SC..THydrogen-bonded Turntrans-95.3-3.9-179.9680000113.2D120 S160 E165D120-T163 HydrophobicContact CB-CG2 3.74Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.42Å; S160-T163 PolarHBondContact OG-N 3.23Å; S160-T163 PolarHBondContact OG-OG1 2.99Å; T163-E165 PolarHBondContact O-N 2.94Å; T163-E165 WeakPolarHBondContact OG1-CB 3.39Å; T163-E165 PolarHBondContact OG1-N 2.88Å
164K98.3Very high98.6Very high90 Ų9048 Ų4839%0.39123%0.228SC..  trans66.50.7-172.7-47-177.9175.2-175.90114.5V24 D28 S160 G166 V167V24-K164 HydrophobicContact CG1-CB 4.35Å; V24-K164 HydrophobicContact CG1-CD 4.48Å; V24-K164 HydrophobicContact CG1-CG 3.83Å; D28-K164 WeakPolarHBondContact O-CE 3.4Å; D28-K164 PolarHBondContact O-NZ 3.25Å; D28-K164 WeakPolarHBondContact OD1-CE 3.37Å; D28-K164 IonicContact OD1-NZ 3.24Å; D28-K164 PolarHBondContact OD1-NZ 3.16Å; D28-K164 IonicContact OD2-NZ 3.58Å; D28-K164 PolarHBondContact OD2-NZ 3.4Å; S160-K164 CarbonylContact O-C 3.59Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.47Å; S160-K164 PolarHBondContact O-N 3.1Å; K164-G166 PolarHBondContact O-N 3.11Å; K164-V167 PolarHBondContact O-N 3.16Å
165E98.7Very high98.6Very high113 Ų11342.6 Ų42.653%0.52821%0.206SC..THydrogen-bonded Turntrans-64.9133.7-179.7-165.6-171.4178.800110.7Q119 C159 S160 T163 V167Q119-E165 VanDerWaalsContact NE2-CB 3.34Å; Q119-E165 PolarHBondContact NE2-OE1 3.26Å; Q119-E165 PolarHBondContact NE2-OE2 3.04Å; C159-E165 CarbonylContact C-O 3.54Å; C159-E165 VanDerWaalsContact CA-O 3.28Å; C159-E165 WeakPolarHBondContact CA-O 3.44Å; C159-E165 VanDerWaalsContact CB-O 3.28Å; C159-E165 WeakPolarHBondContact CB-O 3.42Å; S160-E165 PolarHBondContact N-O 3.2Å; S160-E165 PolarHBondContact O-N 3.08Å; T163-E165 PolarHBondContact O-N 2.94Å; T163-E165 WeakPolarHBondContact OG1-CB 3.39Å; T163-E165 PolarHBondContact OG1-N 2.88Å; E165-V167 PolarHBondContact O-N 3.24Å
166G98.6Very high98.6Very high27 Ų2744.3 Ų44.328%0.27821%0.207SC..THydrogen-bonded Turntrans72.9-17.5179.500000115.8K164 R168 K169 V170K164-G166 PolarHBondContact O-N 3.11Å; G166-R168 PolarHBondContact O-N 2.79Å; G166-K169 WeakPolarHBondContact O-CB 3.42Å; G166-K169 PolarHBondContact O-N 3.14Å; G166-V170 PolarHBondContact O-N 3.17Å; G166-V170 VanDerWaalsContact O-N 3.1Å
167V98.8Very high98.5Very high6 Ų642.8 Ų42.84%0.03620%0.201CC..Hα-helixtrans-54.3-53.9-173.8175.70000111.6L21 V24 F25 C159 S160 K164 E165 K169 V170 F171L21-V167 HydrophobicContact CD1-CB 4.26Å; L21-V167 HydrophobicContact CD1-CG1 3.9Å; L21-V167 HydrophobicContact CD1-CG2 3.76Å; V24-V167 HydrophobicContact CG1-CG1 4.28Å; V24-V167 HydrophobicContact CG1-CG2 4.3Å; F25-V167 HydrophobicContact CB-CG1 3.95Å; C159-V167 HydrophobicContact CB-CG2 4.46Å; S160-V167 WeakPolarHBondContact O-CG2 3.35Å; K164-V167 PolarHBondContact O-N 3.16Å; E165-V167 PolarHBondContact O-N 3.24Å; V167-K169 PolarHBondContact O-N 3.16Å; V167-V170 WeakPolarHBondContact O-CB 3.37Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-V170 VanDerWaalsContact O-N 3.1Å; V167-F171 HydrophobicContact CG1-CD2 4.11Å; V167-F171 HydrophobicContact CG1-CE2 3.93Å; V167-F171 VanDerWaalsContact O-CD2 3.29Å; V167-F171 WeakPolarHBondContact O-CD2 3.29Å; V167-F171 PolarHBondContact O-N 3.08Å
168R98.1Very high98.5Very high169 Ų16941 Ų4164%0.63819%0.192SC*.Hα-helixtrans-56.5-39.9178.9-176.9173.4177.61506.2112.2G166 V170 F171 E172G166-R168 PolarHBondContact O-N 2.79Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 3.39Å; R168-F171 PolarHBondContact O-N 2.8Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 WeakPolarHBondContact CG-OE1 3.24Å; R168-E172 IonicContact CZ-OE1 2.83Å; R168-E172 IonicContact NE-OE1 2.71Å; R168-E172 PolarHBondContact NE-OE1 3.49Å; R168-E172 IonicContact NH2-OE1 3.43Å; R168-E172 WeakPolarHBondContact O-CB 3.36Å; R168-E172 WeakPolarHBondContact O-CG 3.46Å; R168-E172 PolarHBondContact O-N 3.24Å
169K98.8Very high98.4Very high109 Ų10941 Ų4147%0.47419%0.192SC..Hα-helixtrans-65.3-35.6-179.7-170.765.8-180-175.50112.4L157 G166 V167 T173L157-K169 HydrophobicContact CD2-CG 4.13Å; G166-K169 WeakPolarHBondContact O-CB 3.42Å; G166-K169 PolarHBondContact O-N 3.14Å; V167-K169 PolarHBondContact O-N 3.16Å; K169-T173 VanDerWaalsContact O-CB 3.3Å; K169-T173 WeakPolarHBondContact O-CB 3.39Å; K169-T173 PolarHBondContact O-N 3.01Å; K169-T173 PolarHBondContact O-OG1 3.4Å
170V98.9Very high98Very high0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-58.2-53.2173.3172.30000110.4L81 V115 L157 C159 G166 V167 R168 T173 A174L81-V170 HydrophobicContact CD1-CG1 3.89Å; L81-V170 HydrophobicContact CD2-CG1 3.82Å; V115-V170 HydrophobicContact CG1-CG1 4.49Å; V115-V170 HydrophobicContact CG1-CG2 4.16Å; V115-V170 HydrophobicContact CG2-CG1 3.72Å; V115-V170 HydrophobicContact CG2-CG2 4.39Å; L157-V170 HydrophobicContact CB-CG2 3.97Å; L157-V170 HydrophobicContact CD1-CB 4.47Å; L157-V170 HydrophobicContact CD1-CG2 4.16Å; C159-V170 HydrophobicContact CB-CG2 4.04Å; G166-V170 PolarHBondContact O-N 3.17Å; G166-V170 VanDerWaalsContact O-N 3.1Å; V167-V170 WeakPolarHBondContact O-CB 3.37Å; V167-V170 PolarHBondContact O-N 2.9Å; V167-V170 VanDerWaalsContact O-N 3.1Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 3.39Å; V170-T173 PolarHBondContact O-N 3.01Å; V170-A174 WeakPolarHBondContact O-CB 3.4Å; V170-A174 PolarHBondContact O-N 2.91Å
171F98.8Very high97.2Very high0 Ų048.1 Ų48.10%023%0.232CC..Hα-helixtrans-72.5-33.7-177-69.2-85000113.3L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T173 T175L8-F171 HydrophobicContact CD1-CD1 3.95Å; L8-F171 HydrophobicContact CD1-CE1 4.08Å; L21-F171 HydrophobicContact CD1-CE2 4.19Å; L21-F171 HydrophobicContact CG-CE2 3.99Å; L21-F171 HydrophobicContact CG-CZ 4.15Å; L22-F171 HydrophobicContact CD2-CE1 3.88Å; L22-F171 HydrophobicContact CD2-CZ 3.88Å; F25-F171 HydrophobicContact CB-CD2 3.63Å; F25-F171 HydrophobicContact CB-CE1 4.35Å; F25-F171 HydrophobicContact CB-CE2 3.31Å; F25-F171 HydrophobicContact CB-CG 4.3Å; F25-F171 HydrophobicContact CB-CZ 3.71Å; F25-F171 HydrophobicContact CD1-CB 4.33Å; F25-F171 AromaticContact CD1-CD1 3.45Å; F25-F171 HydrophobicContact CD1-CD1 3.45Å; F25-F171 VanDerWaalsContact CD1-CD1 3.45Å; F25-F171 AromaticContact CD1-CD2 3.81Å; F25-F171 HydrophobicContact CD1-CD2 3.81Å; F25-F171 AromaticContact CD1-CE1 3.57Å; F25-F171 HydrophobicContact CD1-CE1 3.57Å; F25-F171 AromaticContact CD1-CE2 3.95Å; F25-F171 HydrophobicContact CD1-CE2 3.95Å; F25-F171 AromaticContact CD1-CG 3.57Å; F25-F171 HydrophobicContact CD1-CG 3.57Å; F25-F171 AromaticContact CD1-CZ 3.83Å; F25-F171 HydrophobicContact CD1-CZ 3.83Å; F25-F171 HydrophobicContact CD2-CB 3.86Å; F25-F171 HydrophobicContact CD2-CD1 4.36Å; F25-F171 AromaticContact CD2-CD2 3.44Å; F25-F171 HydrophobicContact CD2-CD2 3.44Å; F25-F171 VanDerWaalsContact CD2-CD2 3.44Å; F25-F171 HydrophobicContact CD2-CE2 4.08Å; F25-F171 AromaticContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CE1-CB 4Å; F25-F171 AromaticContact CE1-CD1 3.53Å; F25-F171 HydrophobicContact CE1-CD1 3.53Å; F25-F171 HydrophobicContact CE1-CD2 4.34Å; F25-F171 HydrophobicContact CE1-CE1 4.07Å; F25-F171 AromaticContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE2-CB 3.51Å; F25-F171 HydrophobicContact CE2-CD1 4.44Å; F25-F171 HydrophobicContact CE2-CD2 4.03Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.26Å; F25-F171 AromaticContact CG-CD1 3.89Å; F25-F171 HydrophobicContact CG-CD1 3.89Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CE1 4.03Å; F25-F171 AromaticContact CG-CE2 3.51Å; F25-F171 HydrophobicContact CG-CE2 3.51Å; F25-F171 AromaticContact CG-CG 3.54Å; F25-F171 HydrophobicContact CG-CG 3.54Å; F25-F171 AromaticContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CZ-CB 3.59Å; F25-F171 HydrophobicContact CZ-CD1 4.05Å; F25-F171 HydrophobicContact CZ-CD2 4.44Å; F25-F171 AromaticContact CZ-CG 3.77Å; F25-F171 HydrophobicContact CZ-CG 3.77Å; I46-F171 HydrophobicContact CD1-CB 4.11Å; L55-F171 HydrophobicContact CD1-CD1 4.33Å; L57-F171 HydrophobicContact CD2-CD1 4.36Å; L57-F171 HydrophobicContact CD2-CE1 4.05Å; L81-F171 HydrophobicContact CD1-CD1 4.44Å; L81-F171 HydrophobicContact CD1-CE1 3.87Å; L81-F171 HydrophobicContact CD1-CZ 4.05Å; V167-F171 HydrophobicContact CG1-CD2 4.11Å; V167-F171 HydrophobicContact CG1-CE2 3.93Å; V167-F171 VanDerWaalsContact O-CD2 3.29Å; V167-F171 WeakPolarHBondContact O-CD2 3.29Å; V167-F171 PolarHBondContact O-N 3.08Å; R168-F171 PolarHBondContact O-N 2.8Å; F171-T173 VanDerWaalsContact C-N 3.33Å; F171-T173 PolarHBondContact O-N 3.47Å; F171-T175 VanDerWaalsContact O-CB 3.23Å; F171-T175 WeakPolarHBondContact O-CB 3.13Å; F171-T175 PolarHBondContact O-N 3.23Å; F171-T175 PolarHBondContact O-OG1 2.68Å
172E98.6Very high95.6Very high39 Ų3957.8 Ų57.818%0.18227%0.274CS..Hα-helixtrans-62.1-42.3171.3-74.2177.4179.200111.6I46 V48 R168 R176I46-E172 HydrophobicContact CD1-CG 3.84Å; V48-E172 HydrophobicContact CG2-CB 4.36Å; V48-E172 HydrophobicContact CG2-CG 4.23Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 WeakPolarHBondContact CG-OE1 3.24Å; R168-E172 IonicContact CZ-OE1 2.83Å; R168-E172 IonicContact NE-OE1 2.71Å; R168-E172 PolarHBondContact NE-OE1 3.49Å; R168-E172 IonicContact NH2-OE1 3.43Å; R168-E172 WeakPolarHBondContact O-CB 3.36Å; R168-E172 WeakPolarHBondContact O-CG 3.46Å; R168-E172 PolarHBondContact O-N 3.24Å; E172-R176 VanDerWaalsContact O-CB 3.32Å; E172-R176 WeakPolarHBondContact O-CB 3.39Å; E172-R176 PolarHBondContact O-N 2.76Å; E172-R176 PolarHBondContact O-NH1 3.35Å
173T98.8Very high93.7Very high17 Ų1760.4 Ų60.410%0.10428%0.281CS..Hα-helixtrans-68.9-44.3179.3-56.20000111.2I113 Y154 L157 K169 V170 F171 T175 R176 A177I113-T173 HydrophobicContact CD1-CG2 4.12Å; Y154-T173 HydrophobicContact CD1-CG2 4.11Å; Y154-T173 HydrophobicContact CE1-CG2 4.02Å; L157-T173 HydrophobicContact CD1-CG2 4.01Å; K169-T173 VanDerWaalsContact O-CB 3.3Å; K169-T173 WeakPolarHBondContact O-CB 3.39Å; K169-T173 PolarHBondContact O-N 3.01Å; K169-T173 PolarHBondContact O-OG1 3.4Å; V170-T173 PolarHBondContact O-N 3.01Å; F171-T173 VanDerWaalsContact C-N 3.33Å; F171-T173 PolarHBondContact O-N 3.47Å; T173-T175 PolarHBondContact O-N 2.96Å; T173-R176 PolarHBondContact O-N 3.21Å; T173-A177 WeakPolarHBondContact O-CB 3.49Å; T173-A177 PolarHBondContact O-N 3.25Å
174A98.8Very high91.6Very high0 Ų066.1 Ų66.10%030%0.299CS..Hα-helixtrans-61-44.7175.400000111.8L8 V79 L81 I113 V170 A177 A178L8-A174 HydrophobicContact CD1-CB 3.93Å; V79-A174 HydrophobicContact CG1-CB 4.22Å; V79-A174 HydrophobicContact CG2-CB 3.98Å; L81-A174 HydrophobicContact CD2-CB 3.78Å; I113-A174 HydrophobicContact CG1-CB 3.85Å; V170-A174 WeakPolarHBondContact O-CB 3.4Å; V170-A174 PolarHBondContact O-N 2.91Å; A174-A177 PolarHBondContact O-N 3.12Å; A174-A178 WeakPolarHBondContact O-CB 3.44Å; A174-A178 PolarHBondContact O-N 3.49Å
175T98.5Very high89.1Confident0 Ų073 Ų730%032%0.323CS..Hα-helixtrans-63.3-43.8177.6-58.60000111.4I46 V48 V53 L55 F171 T173 A177 A178 L179I46-T175 HydrophobicContact CG2-CG2 4.06Å; V48-T175 HydrophobicContact CB-CG2 4Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 3.96Å; V53-T175 HydrophobicContact CG1-CG2 4Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; L55-T175 WeakPolarHBondContact CD1-OG1 3.32Å; F171-T175 VanDerWaalsContact O-CB 3.23Å; F171-T175 WeakPolarHBondContact O-CB 3.13Å; F171-T175 PolarHBondContact O-N 3.23Å; F171-T175 PolarHBondContact O-OG1 2.68Å; T173-T175 PolarHBondContact O-N 2.96Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; T175-A178 WeakPolarHBondContact O-CB 3.39Å; T175-A178 PolarHBondContact O-N 2.95Å; T175-L179 HydrophobicContact CG2-CD1 3.98Å; T175-L179 HydrophobicContact CG2-CG 4.31Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 2.88Å
176R97.9Very high86.7Confident56 Ų5675.2 Ų75.221%0.21133%0.33CS..Hα-helixtrans-60.4-43.7175.5-171.9175.8-64.798.40.8111.7V48 D49 E172 T173 L179 N180V48-R176 HydrophobicContact CG1-CB 4.09Å; D49-R176 IonicContact OD1-CZ 3.2Å; D49-R176 IonicContact OD1-NE 2.68Å; D49-R176 PolarHBondContact OD1-NE 2.83Å; D49-R176 IonicContact OD1-NH2 3.24Å; D49-R176 PolarHBondContact OD1-NH2 3.16Å; D49-R176 IonicContact OD2-CZ 3.76Å; D49-R176 IonicContact OD2-NE 2.85Å; D49-R176 PolarHBondContact OD2-NE 2.67Å; D49-R176 IonicContact OD2-NH2 3.83Å; E172-R176 VanDerWaalsContact O-CB 3.32Å; E172-R176 WeakPolarHBondContact O-CB 3.39Å; E172-R176 PolarHBondContact O-N 2.76Å; E172-R176 PolarHBondContact O-NH1 3.35Å; T173-R176 PolarHBondContact O-N 3.21Å; R176-L179 PolarHBondContact O-N 3.47Å; R176-N180 VanDerWaalsContact O-CG 3.3Å; R176-N180 PolarHBondContact O-N 3.14Å; R176-N180 VanDerWaalsContact O-N 3.16Å; R176-N180 PolarHBondContact O-ND2 2.88Å
177A98.3Very high84.2Confident2 Ų283.8 Ų83.82%0.01736%0.36CS..Hα-helixtrans-60.7-45.7174.700000111.3V79 P111 I113 Y154 T173 A174 T175 L179 N180V79-A177 HydrophobicContact CG2-CB 4.42Å; P111-A177 HydrophobicContact CB-CB 3.94Å; P111-A177 HydrophobicContact CG-CB 3.99Å; I113-A177 HydrophobicContact CD1-CB 4.07Å; Y154-A177 HydrophobicContact CD1-CB 3.82Å; Y154-A177 HydrophobicContact CD2-CB 3.98Å; Y154-A177 HydrophobicContact CE1-CB 3.9Å; Y154-A177 HydrophobicContact CE2-CB 4.07Å; Y154-A177 HydrophobicContact CG-CB 3.87Å; T173-A177 WeakPolarHBondContact O-CB 3.49Å; T173-A177 PolarHBondContact O-N 3.25Å; A174-A177 PolarHBondContact O-N 3.12Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 3.48Å; A177-N180 PolarHBondContact O-N 2.82Å
178A97.6Very high81.5Confident0 Ų086.8 Ų86.80%039%0.392CS..Hα-helixtrans-62.3-35.8177.500000113.1K6 D78 V79 A174 T175 T181K6-A178 HydrophobicContact CB-CB 4.33Å; K6-A178 HydrophobicContact CD-CB 4.03Å; K6-A178 WeakPolarHBondContact CE-O 3.21Å; K6-A178 HydrophobicContact CG-CB 4.14Å; K6-A178 PolarHBondContact NZ-O 3.49Å; D78-A178 HydrophobicContact CB-CB 4Å; V79-A178 HydrophobicContact CB-CB 3.91Å; V79-A178 HydrophobicContact CG1-CB 3.87Å; A174-A178 WeakPolarHBondContact O-CB 3.44Å; A174-A178 PolarHBondContact O-N 3.49Å; T175-A178 WeakPolarHBondContact O-CB 3.39Å; T175-A178 PolarHBondContact O-N 2.95Å; A178-T181 PolarHBondContact O-OG1 3.21Å
179L96.4Very high78.8Confident31 Ų3184.3 Ų84.316%0.16240%0.399CS..Hα-helixtrans-72.9-28.7178.5-74.6170.8000112.8I4 V48 K51 V53 T175 R176 A177 T181I4-L179 HydrophobicContact CD1-CD2 4.39Å; I4-L179 HydrophobicContact CG2-CD2 3.71Å; V48-L179 HydrophobicContact CB-CD1 4.46Å; K51-L179 HydrophobicContact CD-CD1 4.17Å; K51-L179 HydrophobicContact CD-CD2 4.41Å; V53-L179 HydrophobicContact CG2-CD1 4Å; V53-L179 HydrophobicContact CG2-CD2 3.96Å; V53-L179 HydrophobicContact CG2-CG 4.31Å; T175-L179 HydrophobicContact CG2-CD1 3.98Å; T175-L179 HydrophobicContact CG2-CG 4.31Å; T175-L179 WeakPolarHBondContact O-CB 3.32Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 2.88Å; R176-L179 PolarHBondContact O-N 3.47Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 3.48Å; L179-T181 VanDerWaalsContact C-N 3.34Å
180N91Very high76.1Confident105 Ų10587.5 Ų87.556%0.56142%0.416SS*.Hα-helixtrans-82.8-8.9-178.4-71.7-26.5000113.4R176 A177 K182R176-N180 VanDerWaalsContact O-CG 3.3Å; R176-N180 PolarHBondContact O-N 3.14Å; R176-N180 VanDerWaalsContact O-N 3.16Å; R176-N180 PolarHBondContact O-ND2 2.88Å; A177-N180 PolarHBondContact O-N 2.82Å; N180-K182 PolarHBondContact O-N 3.36Å
181T82.6Confident73.3Confident45 Ų4595.4 Ų95.428%0.27646%0.457SS..  trans-77.2115.8175.2590000111P111 A178 L179 R183P111-T181 HydrophobicContact CG-CG2 3.83Å; A178-T181 PolarHBondContact O-OG1 3.21Å; L179-T181 VanDerWaalsContact C-N 3.34Å; T181-R183 PolarHBondContact O-N 2.96Å; T181-R183 VanDerWaalsContact O-N 3.16Å
182K64.5Low70.8Confident206 Ų206105 Ų10590%0.89652%0.516SS*.  trans-70.8107.9168.3-66.4-174.7-178179.50108N180 K184N180-K182 PolarHBondContact O-N 3.36Å; K182-K184 PolarHBondContact O-N 3.39Å; K182-K184 VanDerWaalsContact O-N 3.08Å
183R57.7Low69.4Low179 Ų179108.4 Ų108.468%0.67553%0.532SS*.  trans-56.1118.6172.3-68.9-17992.1172.77.9108.4T181 R185T181-R183 PolarHBondContact O-N 2.96Å; T181-R183 VanDerWaalsContact O-N 3.16Å; R183-R185 PolarHBondContact O-N 3.49Å; R183-R185 VanDerWaalsContact O-N 3.1Å
184K53.3Low67.9Low195 Ų195113.2 Ų113.285%0.84856%0.555SS**  trans-62.1113.7158.4-75.5-175.3178175.90105.5K182 K186K182-K184 PolarHBondContact O-N 3.39Å; K182-K184 VanDerWaalsContact O-N 3.08Å; K184-K186 PolarHBondContact O-N 3.28Å; K184-K186 VanDerWaalsContact O-N 3.08Å
185R45.9Very low66.2Low235 Ų235119.4 Ų119.489%0.88759%0.586SS**PPolyproline II helixtrans-49.5121.3170.2-73.2174.580.3172.13106.4R183 K187R183-R185 PolarHBondContact O-N 3.49Å; R183-R185 VanDerWaalsContact O-N 3.1Å; R185-K187 PolarHBondContact O-N 2.87Å
186K48.6Very low64.3Low159 Ų159126.5 Ų126.569%0.69162%0.62SS**PPolyproline II helixtrans-50.5116.7169.7-77.4-178.2179.7171.80105.4D76 K184 G188D76-K186 WeakPolarHBondContact OD1-CE 3.2Å; D76-K186 IonicContact OD1-NZ 3.4Å; D76-K186 PolarHBondContact OD1-NZ 3.02Å; D76-K186 IonicContact OD2-NZ 2.85Å; D76-K186 PolarHBondContact OD2-NZ 2.55Å; K184-K186 PolarHBondContact O-N 3.28Å; K184-K186 VanDerWaalsContact O-N 3.08Å; K186-G188 PolarHBondContact O-N 3.06Å
187K45.7Very low62.2Low207 Ų207130.9 Ų130.990%0.965%0.646SS**PPolyproline II helixtrans-55.8118.7165.9-76.2-173.7175.3-175.70104.3R185 C189R185-K187 PolarHBondContact O-N 2.87Å; K187-C189 PolarHBondContact O-N 3.27Å; K187-C189 VanDerWaalsContact O-N 3.15Å
188G43.3Very low59.7Low68 Ų68139.5 Ų139.570%0.70169%0.687SS**PPolyproline II helixtrans-49.8126177.400000107.8K186 E190K186-G188 PolarHBondContact O-N 3.06Å; G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.92Å
189C40.2Very low57Low118 Ų118149.4 Ų149.480%0.79774%0.737SS**  trans-70.598.6166.4-163.20000104.4K187 L191K187-C189 PolarHBondContact O-N 3.27Å; K187-C189 VanDerWaalsContact O-N 3.15Å; C189-L191 PolarHBondContact O-N 3.09Å; C189-L191 VanDerWaalsContact O-N 3.13Å
190E43.6Very low54Low175 Ų175158.5 Ų158.582%0.81878%0.781SS**  trans-63.5108.3163.8-80.5175.4160.500105.9G188 V192G188-E190 VanDerWaalsContact C-N 3.28Å; G188-E190 PolarHBondContact O-N 2.92Å; E190-V192 PolarHBondContact O-N 3.34Å; E190-V192 VanDerWaalsContact O-N 3.17Å
191L40.4Very low50.9Low167 Ų167163 Ų16387%0.87480%0.799SS**  trans-65.1107.5162.3-66.6167.1000105.8C189C189-L191 PolarHBondContact O-N 3.09Å; C189-L191 VanDerWaalsContact O-N 3.13Å
192V45.5Very low48.1Very low202 Ų202173.7 Ų173.7100%1.22485%0.847SS**  trans-105.50160-176.90000107.2E190E190-V192 PolarHBondContact O-N 3.34Å; E190-V192 VanDerWaalsContact O-N 3.17Å

Retrieved 192 of 192 residues in 45.6 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).