G3P_SCHMA Loading...

Glyceraldehyde-3-phosphate dehydrogenase

This antigen is associated with human resistance to schistosomiasis.

AlphaFold DB , UniProt , Accession P20287, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M67.4Low94.7Very high157 Ų15737.6 Ų37.677%0.77319%0.193SC*.  0147.80-77.2175.7-17300108.7K334 H337M1-K334 HydrophobicContact CE-CG 4.48Å; M1-K334 HydrophobicContact SD-CG 4.37Å; M1-H337 HydrophobicContact CE-CB 4.45Å; M1-H337 HydrophobicContact SD-CB 4.32Å
2S89.9Confident95Very high87 Ų8737 Ų3761%0.60820%0.202SC*.PPolyproline II helixtrans-60.2155.4165.4520000109.8H333S2-H333 PolarHBondContact O-CD2 2.93Å; S2-H333 PolarHBondContact O-NE2 3.22Å
3R96Very high95.2Very high79 Ų7938.9 Ų38.930%0.29821%0.205SC..PPolyproline II helixtrans-79.5145.6175-68.4-176.5-68.5163.82.8110.3K5 N26 T27 D29R3-K5 PolarHBondContact O-N 3.04Å; R3-N26 WeakPolarHBondContact CD-O 3.4Å; R3-N26 PolarHBondContact NH1-O 2.75Å; R3-N26 PolarHBondContact NH1-OD1 2.79Å; R3-T27 WeakPolarHBondContact CB-O 3.29Å; R3-T27 VanDerWaalsContact CG-O 3.31Å; R3-T27 WeakPolarHBondContact CG-O 3.49Å; R3-D29 IonicContact CZ-OD1 2.7Å; R3-D29 IonicContact CZ-OD2 3.63Å; R3-D29 IonicContact NE-OD1 2.68Å; R3-D29 IonicContact NE-OD2 3.38Å; R3-D29 IonicContact NH1-OD1 3.76Å; R3-D29 PolarHBondContact NH1-OD1 3.45Å; R3-D29 VanDerWaalsContact NH2-CG 3.34Å; R3-D29 IonicContact NH2-OD1 2.92Å; R3-D29 PolarHBondContact NH2-OD1 2.84Å; R3-D29 IonicContact NH2-OD2 3.06Å; R3-D29 PolarHBondContact NH2-OD2 3.08Å
4A97.9Very high95.5Very high2 Ų238.6 Ų38.62%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-57.2134.8175.400000110.2V6 V28 D29 Y94 I329 H333A4-V6 HydrophobicContact CB-CG2 4.49Å; A4-V28 HydrophobicContact CB-CB 4.5Å; A4-V28 HydrophobicContact CB-CG1 4.12Å; A4-D29 PolarHBondContact O-N 3.22Å; A4-Y94 HydrophobicContact CB-CD2 3.88Å; A4-Y94 HydrophobicContact CB-CE2 4.06Å; A4-I329 HydrophobicContact CB-CG2 3.64Å; A4-H333 HydrophobicContact CB-CB 3.81Å
5K98.5Very high95.7Very high79 Ų7936.1 Ų36.134%0.34319%0.19SC..EExtended strand (participates in β ladder)trans-92.2120.3174.4-62-64.1-177.4-173.80109.2R3 D29 V31 G91 E93 Y94R3-K5 PolarHBondContact O-N 3.04Å; K5-D29 CarbonylContact C-O 3.44Å; K5-D29 WeakPolarHBondContact CA-O 3.4Å; K5-D29 HydrophobicContact CD-CB 3.95Å; K5-D29 IonicContact NZ-OD2 2.71Å; K5-D29 PolarHBondContact NZ-OD2 3.03Å; K5-V31 HydrophobicContact CB-CG2 4.28Å; K5-V31 HydrophobicContact CD-CG1 3.75Å; K5-G91 WeakPolarHBondContact CB-O 3.11Å; K5-E93 HydrophobicContact CB-CG 4.48Å; K5-E93 PolarHBondContact O-N 2.91Å; K5-Y94 PolarHBondContact O-N 2.72Å
6V98.8Very high95.9Very high1 Ų135.3 Ų35.31%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-114.1133-166.7-179.80000111.4A4 I8 V28 D29 V30 V31 Y94 V96 I329A4-V6 HydrophobicContact CB-CG2 4.49Å; V6-I8 HydrophobicContact CG1-CG1 4.33Å; V6-V28 HydrophobicContact CG2-CB 3.85Å; V6-V28 HydrophobicContact CG2-CG1 4.4Å; V6-V28 HydrophobicContact CG2-CG2 4.04Å; V6-D29 PolarHBondContact N-O 2.92Å; V6-V30 HydrophobicContact CB-CG2 4.3Å; V6-V30 HydrophobicContact CG1-CG2 4.4Å; V6-V30 WeakPolarHBondContact O-CA 3.44Å; V6-V31 PolarHBondContact O-N 3.49Å; V6-Y94 CarbonylContact C-O 3.51Å; V6-Y94 VanDerWaalsContact CA-O 3.24Å; V6-Y94 WeakPolarHBondContact CA-O 3.29Å; V6-V96 HydrophobicContact CG1-CG2 3.99Å; V6-I329 HydrophobicContact CG1-CD1 4.19Å; V6-I329 HydrophobicContact CG2-CD1 4.17Å; V6-I329 HydrophobicContact CG2-CG2 3.94Å
7G98.8Very high96Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-103.2146.4164.100000110.5S32 Y94 V95 V96G7-S32 CarbonylContact C-O 3.58Å; G7-S32 VanDerWaalsContact CA-O 3.3Å; G7-S32 WeakPolarHBondContact CA-O 3.26Å; G7-Y94 PolarHBondContact N-O 2.81Å; G7-V95 CarbonylContact O-C 3.59Å; G7-V95 WeakPolarHBondContact O-CA 3.45Å; G7-V96 PolarHBondContact O-N 2.79Å
8I98.9Very high96.2Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-121.8119.8175.3-56.4177.6000109.3V6 V18 L19 V30 S32 V33 N34 V96V6-I8 HydrophobicContact CG1-CG1 4.33Å; I8-V18 HydrophobicContact CD1-CB 4.37Å; I8-V18 HydrophobicContact CD1-CG1 3.98Å; I8-L19 HydrophobicContact CD1-CB 4.08Å; I8-V30 HydrophobicContact CD1-CG1 3.96Å; I8-V30 HydrophobicContact CD1-CG2 4.08Å; I8-V30 HydrophobicContact CG1-CG1 4.16Å; I8-S32 PolarHBondContact N-O 2.74Å; I8-V33 HydrophobicContact CB-CG1 4.23Å; I8-V33 CarbonylContact O-C 3.52Å; I8-V33 WeakPolarHBondContact O-CA 3.5Å; I8-N34 PolarHBondContact O-N 2.89Å; I8-V96 HydrophobicContact CG1-CB 4.38Å
9N98.9Very high96.3Very high4 Ų429.9 Ų29.92%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-99.4123.7171.5-168.132.6000110.3N34 W87 V96 E97 S98 T99 H111N9-N34 PolarHBondContact OD1-ND2 2.79Å; N9-W87 HydrophobicContact CB-CZ2 4.23Å; N9-V96 PolarHBondContact N-O 2.92Å; N9-E97 PolarHBondContact ND2-OE2 3.23Å; N9-S98 CarbonylContact O-C 3.47Å; N9-S98 WeakPolarHBondContact O-CA 3.35Å; N9-S98 PolarHBondContact O-N 3.41Å; N9-S98 PolarHBondContact O-OG 3.41Å; N9-T99 HydrophobicContact CB-CG2 4.31Å; N9-T99 VanDerWaalsContact ND2-CG2 3.31Å; N9-T99 WeakPolarHBondContact ND2-CG2 3.31Å; N9-T99 PolarHBondContact O-N 2.86Å; N9-H111 PolarHBondContact ND2-CE1 3.27Å; N9-H111 PolarHBondContact ND2-NE2 2.71Å
10G98.5Very high96.4Very high5 Ų529.3 Ų29.35%0.05215%0.151CC..  trans83.2107.9-173.100000111.8G12 N34 S98G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 2.85Å; G10-N34 PolarHBondContact N-O 2.86Å; G10-S98 PolarHBondContact O-OG 2.89Å
11F98.4Very high96.5Very high0 Ų027.9 Ų27.90%014%0.144CC..  trans-100.639.6-173.9-153.4-120.3000112.3R16 L19 V33 D35 I38 M43 I47F11-R16 HydrophobicContact CD1-CG 3.75Å; F11-R16 HydrophobicContact CD2-CG 4.15Å; F11-R16 HydrophobicContact CE1-CG 3.66Å; F11-R16 HydrophobicContact CE2-CG 4.04Å; F11-R16 HydrophobicContact CG-CG 4Å; F11-R16 HydrophobicContact CZ-CG 3.8Å; F11-R16 WeakPolarHBondContact O-CG 3.42Å; F11-R16 PolarHBondContact O-NH1 2.89Å; F11-L19 HydrophobicContact CE2-CB 4.33Å; F11-L19 HydrophobicContact CE2-CD2 3.92Å; F11-L19 HydrophobicContact CZ-CD2 3.63Å; F11-V33 HydrophobicContact CD2-CB 4.37Å; F11-V33 HydrophobicContact CD2-CG1 4.2Å; F11-V33 HydrophobicContact CE2-CG1 3.99Å; F11-D35 HydrophobicContact CB-CB 3.84Å; F11-D35 PolarHBondContact N-OD2 2.87Å; F11-I38 HydrophobicContact CB-CD1 4.16Å; F11-M43 HydrophobicContact CD1-CB 4.18Å; F11-M43 HydrophobicContact CD1-CG 3.79Å; F11-M43 HydrophobicContact CD1-SD 4.04Å; F11-M43 HydrophobicContact CE1-CB 3.94Å; F11-M43 HydrophobicContact CE1-CG 4.05Å; F11-M43 HydrophobicContact CE1-SD 4.31Å; F11-I47 HydrophobicContact CE1-CD1 3.78Å; F11-I47 HydrophobicContact CE1-CG1 3.68Å; F11-I47 HydrophobicContact CZ-CD1 3.63Å; F11-I47 HydrophobicContact CZ-CG1 3.66Å
12G97.8Very high97.9Very high30 Ų3020.6 Ų20.631%0.30911%0.108SC..SBendtrans-78.6-156174.900000113.6G10 I14 G15 R16G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 2.85Å; G12-I14 PolarHBondContact O-N 3.39Å; G12-G15 PolarHBondContact O-N 3.41Å; G12-R16 WeakPolarHBondContact O-CB 3.43Å; G12-R16 WeakPolarHBondContact O-CG 3.41Å; G12-R16 PolarHBondContact O-N 3.43Å; G12-R16 PolarHBondContact O-NH1 2.85Å
13R98.3Very high98.2Very high62 Ų6217.8 Ų17.823%0.2349%0.085CC..Hα-helixtrans-52.7-56-179.8-62.9-58.7-62.1159.37.6111.7L17 D50 T52 H53 E318R13-L17 WeakPolarHBondContact O-CB 3.22Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 VanDerWaalsContact O-CG 3.27Å; R13-L17 WeakPolarHBondContact O-CG 3.48Å; R13-L17 PolarHBondContact O-N 2.88Å; R13-L17 VanDerWaalsContact O-N 3.16Å; R13-D50 IonicContact CZ-OD1 2.63Å; R13-D50 IonicContact CZ-OD2 3.3Å; R13-D50 IonicContact NH1-OD1 2.83Å; R13-D50 PolarHBondContact NH1-OD1 3.21Å; R13-D50 IonicContact NH1-OD2 3.98Å; R13-D50 PolarHBondContact NH1-OD2 3.46Å; R13-D50 IonicContact NH2-OD1 2.75Å; R13-D50 PolarHBondContact NH2-OD1 3.14Å; R13-D50 IonicContact NH2-OD2 3.54Å; R13-D50 PolarHBondContact NH2-OD2 2.92Å; R13-T52 PolarHBondContact NH2-OG1 2.84Å; R13-H53 PolarHBondContact NH2-CD2 2.87Å; R13-E318 WeakPolarHBondContact CB-OE1 2.98Å; R13-E318 WeakPolarHBondContact CG-OE1 3.25Å; R13-E318 IonicContact CZ-OE1 3.35Å; R13-E318 IonicContact CZ-OE2 3.89Å; R13-E318 IonicContact NE-OE1 3.24Å; R13-E318 PolarHBondContact NE-OE1 3.36Å; R13-E318 IonicContact NE-OE2 2.7Å; R13-E318 PolarHBondContact NE-OE2 2.79Å; R13-E318 IonicContact NH2-OE1 2.65Å; R13-E318 IonicContact NH2-OE2 3.08Å; R13-E318 PolarHBondContact NH2-OE2 3.09Å
14I98.7Very high98.1Very high34 Ų3418.8 Ų18.817%0.17410%0.096CC..Hα-helixtrans-67-48.2-178.6-56.9-51.3000111.5G12 R16 L17 V18 Y321G12-I14 PolarHBondContact O-N 3.39Å; I14-R16 PolarHBondContact O-N 2.84Å; I14-L17 PolarHBondContact O-N 3.15Å; I14-L17 VanDerWaalsContact O-N 3.12Å; I14-V18 HydrophobicContact CG2-CG2 3.91Å; I14-V18 WeakPolarHBondContact O-CB 3.31Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.17Å; I14-V18 PolarHBondContact O-N 2.78Å; I14-Y321 HydrophobicContact CD1-CD1 4Å; I14-Y321 HydrophobicContact CG2-CD1 4.29Å; I14-Y321 HydrophobicContact CG2-CE1 4.17Å
15G98.6Very high97.9Very high1 Ų121.9 Ų21.91%0.0111%0.109CC..Hα-helixtrans-56.1-45-179.400000113.5G12 L19G12-G15 PolarHBondContact O-N 3.41Å; G15-L19 PolarHBondContact O-N 2.89Å; G15-L19 VanDerWaalsContact O-N 3.08Å
16R98.5Very high97.8Very high24 Ų2422.4 Ų22.49%0.09112%0.115CC..Hα-helixtrans-68-36176.9-66-164.8-50.7-80.70.5113.1F11 G12 I14 L19 R20 M46 D50F11-R16 HydrophobicContact CD1-CG 3.75Å; F11-R16 HydrophobicContact CD2-CG 4.15Å; F11-R16 HydrophobicContact CE1-CG 3.66Å; F11-R16 HydrophobicContact CE2-CG 4.04Å; F11-R16 HydrophobicContact CG-CG 4Å; F11-R16 HydrophobicContact CZ-CG 3.8Å; F11-R16 WeakPolarHBondContact O-CG 3.42Å; F11-R16 PolarHBondContact O-NH1 2.89Å; G12-R16 WeakPolarHBondContact O-CB 3.43Å; G12-R16 WeakPolarHBondContact O-CG 3.41Å; G12-R16 PolarHBondContact O-N 3.43Å; G12-R16 PolarHBondContact O-NH1 2.85Å; I14-R16 PolarHBondContact O-N 2.84Å; R16-L19 WeakPolarHBondContact O-CB 3.48Å; R16-L19 PolarHBondContact O-N 2.71Å; R16-R20 PolarHBondContact O-N 2.78Å; R16-M46 PolarHBondContact NE-O 3.29Å; R16-M46 VanDerWaalsContact NH1-CE 3.26Å; R16-D50 IonicContact NH2-OD2 3.01Å
17L98.6Very high97.7Very high2 Ų224.8 Ų24.81%0.0113%0.13CC..Hα-helixtrans-79.5-27.4-179.8-67.9172.1000112.6R13 I14 R20 A21 H53 E318 F319 S322R13-L17 WeakPolarHBondContact O-CB 3.22Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 VanDerWaalsContact O-CG 3.27Å; R13-L17 WeakPolarHBondContact O-CG 3.48Å; R13-L17 PolarHBondContact O-N 2.88Å; R13-L17 VanDerWaalsContact O-N 3.16Å; I14-L17 PolarHBondContact O-N 3.15Å; I14-L17 VanDerWaalsContact O-N 3.12Å; L17-R20 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.15Å; L17-A21 PolarHBondContact O-N 3.11Å; L17-H53 HydrophobicContact CD2-CB 4.28Å; L17-E318 HydrophobicContact CD1-CB 3.43Å; L17-E318 VanDerWaalsContact CD1-CB 3.43Å; L17-E318 HydrophobicContact CD1-CG 4.35Å; L17-F319 HydrophobicContact CB-CD2 4.33Å; L17-F319 HydrophobicContact CD2-CD2 4.1Å; L17-S322 WeakPolarHBondContact CB-OG 3.19Å
18V98.8Very high97.6Very high1 Ų124.9 Ų24.91%0.00613%0.131CC..Hα-helixtrans-64.3-43.5166.4168.30000110.2I8 I14 A21 A22 V96 V325 V326I8-V18 HydrophobicContact CD1-CB 4.37Å; I8-V18 HydrophobicContact CD1-CG1 3.98Å; I14-V18 HydrophobicContact CG2-CG2 3.91Å; I14-V18 WeakPolarHBondContact O-CB 3.31Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.17Å; I14-V18 PolarHBondContact O-N 2.78Å; V18-A21 PolarHBondContact O-N 3.06Å; V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.2Å; V18-A22 PolarHBondContact O-N 2.82Å; V18-V96 HydrophobicContact CG1-CG2 4.15Å; V18-V96 HydrophobicContact CG2-CG1 4.46Å; V18-V325 HydrophobicContact CG1-CG1 4.29Å; V18-V325 HydrophobicContact CG2-CB 3.99Å; V18-V325 HydrophobicContact CG2-CG1 3.99Å; V18-V325 HydrophobicContact CG2-CG2 4.34Å; V18-V326 HydrophobicContact CG1-CG2 4.22Å
19L98.5Very high97.6Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-57.4-50.8171.2-178.671.9000110.8I8 F11 G15 R16 A21 A22 F23 V30 I47 L67 I74I8-L19 HydrophobicContact CD1-CB 4.08Å; F11-L19 HydrophobicContact CE2-CB 4.33Å; F11-L19 HydrophobicContact CE2-CD2 3.92Å; F11-L19 HydrophobicContact CZ-CD2 3.63Å; G15-L19 PolarHBondContact O-N 2.89Å; G15-L19 VanDerWaalsContact O-N 3.08Å; R16-L19 WeakPolarHBondContact O-CB 3.48Å; R16-L19 PolarHBondContact O-N 2.71Å; L19-A21 PolarHBondContact O-N 3.31Å; L19-A22 WeakPolarHBondContact O-CB 3.37Å; L19-A22 PolarHBondContact O-N 2.85Å; L19-F23 HydrophobicContact CD1-CD2 3.99Å; L19-F23 HydrophobicContact CD1-CE2 3.59Å; L19-F23 HydrophobicContact CG-CD2 4.1Å; L19-F23 HydrophobicContact CG-CE2 4.09Å; L19-F23 WeakPolarHBondContact O-CD2 3.39Å; L19-F23 PolarHBondContact O-N 2.82Å; L19-F23 VanDerWaalsContact O-N 3.09Å; L19-V30 HydrophobicContact CD1-CB 3.69Å; L19-V30 HydrophobicContact CD1-CG1 3.76Å; L19-V30 HydrophobicContact CD1-CG2 3.8Å; L19-I47 HydrophobicContact CD2-CD1 3.82Å; L19-I47 HydrophobicContact CD2-CG1 4.19Å; L19-L67 HydrophobicContact CD2-CD2 4.35Å; L19-I74 HydrophobicContact CD1-CD1 3.78Å
20R98Very high97.6Very high18 Ų1826 Ų267%0.06814%0.137CC..Hα-helixtrans-58.3-45.4179.1-173.5177.3-77.5-157.5-2.7111.9R16 L17 F23 L24 I47 H53 G54 F56 F319R16-R20 PolarHBondContact O-N 2.78Å; L17-R20 PolarHBondContact O-N 2.85Å; R20-F23 PolarHBondContact O-N 3.01Å; R20-L24 HydrophobicContact CG-CD1 3.95Å; R20-L24 WeakPolarHBondContact O-CG 3.44Å; R20-L24 PolarHBondContact O-N 3.12Å; R20-I47 PolarHBondContact NH2-O 2.91Å; R20-H53 PolarHBondContact NH1-O 3.08Å; R20-G54 PolarHBondContact NH2-O 3.29Å; R20-F56 HydrophobicContact CB-CE2 4.34Å; R20-F56 HydrophobicContact CG-CD2 4.11Å; R20-F56 HydrophobicContact CG-CE2 4.07Å; R20-F319 HydrophobicContact CB-CE2 4.48Å; R20-F319 HydrophobicContact CG-CE2 4.23Å
21A98Very high97.6Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-63.9-41.5176.500000112L17 V18 L19 F23 L24 K25 F319 V326L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.15Å; L17-A21 PolarHBondContact O-N 3.11Å; V18-A21 PolarHBondContact O-N 3.06Å; L19-A21 PolarHBondContact O-N 3.31Å; A21-F23 VanDerWaalsContact C-N 3.29Å; A21-F23 PolarHBondContact O-N 3.24Å; A21-L24 PolarHBondContact O-N 3.32Å; A21-K25 WeakPolarHBondContact O-CB 3.38Å; A21-K25 WeakPolarHBondContact O-CG 3.41Å; A21-K25 PolarHBondContact O-N 3.04Å; A21-F319 HydrophobicContact CB-CE2 4.29Å; A21-V326 HydrophobicContact CB-CG2 3.96Å
22A97.9Very high97.6Very high3 Ų326.8 Ų26.83%0.02514%0.141CC..Hα-helixtrans-59.1-40.4176.700000112.1V18 L19 N26 V28 V30 V326V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.2Å; V18-A22 PolarHBondContact O-N 2.82Å; L19-A22 WeakPolarHBondContact O-CB 3.37Å; L19-A22 PolarHBondContact O-N 2.85Å; A22-N26 VanDerWaalsContact O-CA 3.3Å; A22-N26 WeakPolarHBondContact O-CA 3.49Å; A22-N26 PolarHBondContact O-N 3.18Å; A22-V28 HydrophobicContact CB-CG2 3.51Å; A22-V30 HydrophobicContact CB-CG2 3.74Å; A22-V326 HydrophobicContact CB-CG2 4.35Å
23F95.8Very high97.6Very high28 Ų2825.3 Ų25.312%0.12313%0.126CC..Hα-helixtrans-70.1-45.4175.5-86-79.8000113.1L19 R20 A21 F56 V69 N70 K72 I74L19-F23 HydrophobicContact CD1-CD2 3.99Å; L19-F23 HydrophobicContact CD1-CE2 3.59Å; L19-F23 HydrophobicContact CG-CD2 4.1Å; L19-F23 HydrophobicContact CG-CE2 4.09Å; L19-F23 WeakPolarHBondContact O-CD2 3.39Å; L19-F23 PolarHBondContact O-N 2.82Å; L19-F23 VanDerWaalsContact O-N 3.09Å; R20-F23 PolarHBondContact O-N 3.01Å; A21-F23 VanDerWaalsContact C-N 3.29Å; A21-F23 PolarHBondContact O-N 3.24Å; F23-F56 HydrophobicContact CB-CZ 4.3Å; F23-F56 HydrophobicContact CG-CZ 4.36Å; F23-V69 HydrophobicContact CD1-CG1 4.02Å; F23-V69 HydrophobicContact CD2-CB 4.46Å; F23-V69 HydrophobicContact CD2-CG1 3.75Å; F23-V69 HydrophobicContact CE1-CB 4Å; F23-V69 HydrophobicContact CE1-CG1 3.72Å; F23-V69 WeakPolarHBondContact CE1-O 3.16Å; F23-V69 HydrophobicContact CE2-CB 3.66Å; F23-V69 HydrophobicContact CE2-CG1 3.45Å; F23-V69 VanDerWaalsContact CE2-CG1 3.45Å; F23-V69 HydrophobicContact CE2-CG2 4.29Å; F23-V69 HydrophobicContact CG-CG1 4.05Å; F23-V69 HydrophobicContact CZ-CB 3.41Å; F23-V69 VanDerWaalsContact CZ-CB 3.41Å; F23-V69 HydrophobicContact CZ-CG1 3.45Å; F23-V69 VanDerWaalsContact CZ-CG1 3.45Å; F23-V69 HydrophobicContact CZ-CG2 4.41Å; F23-N70 HydrophobicContact CD1-CB 4.41Å; F23-N70 HydrophobicContact CE1-CB 4.27Å; F23-K72 HydrophobicContact CE1-CB 4.42Å; F23-K72 HydrophobicContact CE1-CD 3.89Å; F23-K72 HydrophobicContact CE1-CG 4.36Å; F23-K72 HydrophobicContact CZ-CB 4.33Å; F23-K72 HydrophobicContact CZ-CD 4.21Å; F23-I74 HydrophobicContact CE2-CD1 4.08Å; F23-I74 HydrophobicContact CZ-CD1 4.21Å
24L93.8Very high97.7Very high100 Ų10022.4 Ų22.452%0.52412%0.115SC..Hα-helixtrans-68.5-42-177.8-71.9170.6000112.7R20 A21 P57 F319R20-L24 HydrophobicContact CG-CD1 3.95Å; R20-L24 WeakPolarHBondContact O-CG 3.44Å; R20-L24 PolarHBondContact O-N 3.12Å; A21-L24 PolarHBondContact O-N 3.32Å; L24-P57 HydrophobicContact CD2-CG 3.93Å; L24-F319 HydrophobicContact CD1-CE2 4.48Å; L24-F319 HydrophobicContact CD1-CZ 3.77Å
25K94.8Very high97.7Very high68 Ų6821.5 Ų21.530%0.29611%0.11SC..Hα-helixtrans-79.6-26178.2-57.4-171.494.7170.70112.2A21 T27 V326 D327A21-K25 WeakPolarHBondContact O-CB 3.38Å; A21-K25 WeakPolarHBondContact O-CG 3.41Å; A21-K25 PolarHBondContact O-N 3.04Å; K25-T27 HydrophobicContact CB-CG2 4.35Å; K25-T27 PolarHBondContact O-N 3.42Å; K25-T27 VanDerWaalsContact O-N 3.1Å; K25-V326 HydrophobicContact CD-CG1 4.35Å; K25-D327 IonicContact NZ-OD1 3.72Å; K25-D327 PolarHBondContact NZ-OD1 3.43Å; K25-D327 IonicContact NZ-OD2 3.66Å; K25-D327 PolarHBondContact NZ-OD2 2.7Å
26N95.5Very high97.6Very high89 Ų8923.2 Ų23.248%0.47612%0.122SC..  trans57.222.9178.4-162.742000114.3R3 A22R3-N26 WeakPolarHBondContact CD-O 3.4Å; R3-N26 PolarHBondContact NH1-O 2.75Å; R3-N26 PolarHBondContact NH1-OD1 2.79Å; A22-N26 VanDerWaalsContact O-CA 3.3Å; A22-N26 WeakPolarHBondContact O-CA 3.49Å; A22-N26 PolarHBondContact O-N 3.18Å
27T96.1Very high97.6Very high51 Ų5129.3 Ų29.331%0.31315%0.149SC..SBendtrans-91.3-20.9-178.255.20000114R3 K25 V326 T330R3-T27 WeakPolarHBondContact CB-O 3.29Å; R3-T27 VanDerWaalsContact CG-O 3.31Å; R3-T27 WeakPolarHBondContact CG-O 3.49Å; K25-T27 HydrophobicContact CB-CG2 4.35Å; K25-T27 PolarHBondContact O-N 3.42Å; K25-T27 VanDerWaalsContact O-N 3.1Å; T27-V326 WeakPolarHBondContact OG1-CG1 3.35Å; T27-T330 PolarHBondContact OG1-OG1 2.76Å
28V98.2Very high97.5Very high2 Ų230 Ų301%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-129.5160.4177.5-55.10000110.2A4 V6 A22 V326 I329A4-V28 HydrophobicContact CB-CB 4.5Å; A4-V28 HydrophobicContact CB-CG1 4.12Å; V6-V28 HydrophobicContact CG2-CB 3.85Å; V6-V28 HydrophobicContact CG2-CG1 4.4Å; V6-V28 HydrophobicContact CG2-CG2 4.04Å; A22-V28 HydrophobicContact CB-CG2 3.51Å; V28-V326 HydrophobicContact CG1-CG1 4.2Å; V28-V326 HydrophobicContact CG2-CG1 3.91Å; V28-I329 HydrophobicContact CG1-CB 4.42Å; V28-I329 HydrophobicContact CG1-CG2 3.9Å
29D98Very high97.4Very high19 Ų1934.5 Ų34.510%0.10218%0.177CC..EExtended strand (participates in β ladder)trans-114.8110.3174.5-79-39.6000109.7R3 A4 K5 V6 V31 K72R3-D29 IonicContact CZ-OD1 2.7Å; R3-D29 IonicContact CZ-OD2 3.63Å; R3-D29 IonicContact NE-OD1 2.68Å; R3-D29 IonicContact NE-OD2 3.38Å; R3-D29 IonicContact NH1-OD1 3.76Å; R3-D29 PolarHBondContact NH1-OD1 3.45Å; R3-D29 VanDerWaalsContact NH2-CG 3.34Å; R3-D29 IonicContact NH2-OD1 2.92Å; R3-D29 PolarHBondContact NH2-OD1 2.84Å; R3-D29 IonicContact NH2-OD2 3.06Å; R3-D29 PolarHBondContact NH2-OD2 3.08Å; A4-D29 PolarHBondContact O-N 3.22Å; K5-D29 CarbonylContact C-O 3.44Å; K5-D29 WeakPolarHBondContact CA-O 3.4Å; K5-D29 HydrophobicContact CD-CB 3.95Å; K5-D29 IonicContact NZ-OD2 2.71Å; K5-D29 PolarHBondContact NZ-OD2 3.03Å; V6-D29 PolarHBondContact N-O 2.92Å; D29-V31 HydrophobicContact CB-CG1 4.45Å; D29-V31 PolarHBondContact O-N 2.91Å; D29-K72 IonicContact OD1-NZ 3.72Å; D29-K72 PolarHBondContact OD1-NZ 3.35Å
30V98.6Very high97.4Very high8 Ų836.1 Ų36.15%0.04819%0.185CC..EExtended strand (participates in β ladder)trans-73.5123.7168.1-175.70000108.5V6 I8 L19 A22 V33 I74V6-V30 HydrophobicContact CB-CG2 4.3Å; V6-V30 HydrophobicContact CG1-CG2 4.4Å; V6-V30 WeakPolarHBondContact O-CA 3.44Å; I8-V30 HydrophobicContact CD1-CG1 3.96Å; I8-V30 HydrophobicContact CD1-CG2 4.08Å; I8-V30 HydrophobicContact CG1-CG1 4.16Å; L19-V30 HydrophobicContact CD1-CB 3.69Å; L19-V30 HydrophobicContact CD1-CG1 3.76Å; L19-V30 HydrophobicContact CD1-CG2 3.8Å; A22-V30 HydrophobicContact CB-CG2 3.74Å; V30-V33 HydrophobicContact CG1-CG1 4.16Å; V30-I74 HydrophobicContact CB-CD1 4.42Å; V30-I74 HydrophobicContact CG1-CD1 4.38Å; V30-I74 HydrophobicContact CG1-CG2 4.28Å
31V98.5Very high97.4Very high22 Ų2240.9 Ų40.913%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-118.9-16.5-176.6-65.40000113.4K5 V6 D29 S75 D90 A92K5-V31 HydrophobicContact CB-CG2 4.28Å; K5-V31 HydrophobicContact CD-CG1 3.75Å; V6-V31 PolarHBondContact O-N 3.49Å; D29-V31 HydrophobicContact CB-CG1 4.45Å; D29-V31 PolarHBondContact O-N 2.91Å; V31-S75 PolarHBondContact O-N 2.91Å; V31-D90 WeakPolarHBondContact CG2-O 3.5Å; V31-A92 HydrophobicContact CG2-CB 3.8Å
32S98.5Very high97.5Very high0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-149.6143.2-178.5-166.90000111.7G7 I8 S75 H77 W87 D90G7-S32 CarbonylContact C-O 3.58Å; G7-S32 VanDerWaalsContact CA-O 3.3Å; G7-S32 WeakPolarHBondContact CA-O 3.26Å; I8-S32 PolarHBondContact N-O 2.74Å; S32-S75 CarbonylContact C-O 3.58Å; S32-S75 WeakPolarHBondContact CA-O 3.32Å; S32-H77 PolarHBondContact OG-CD2 2.96Å; S32-H77 VanDerWaalsContact OG-CD2 3.3Å; S32-H77 PolarHBondContact OG-NE2 3.38Å; S32-W87 WeakPolarHBondContact OG-CZ3 3.44Å; S32-D90 VanDerWaalsContact CB-OD2 3.28Å; S32-D90 WeakPolarHBondContact CB-OD2 3.34Å; S32-D90 PolarHBondContact OG-OD2 3.49Å
33V98.7Very high97.5Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-132.8144.1173.5-61.90000110.1I8 F11 V30 M43 I74 S75 V76 H77I8-V33 HydrophobicContact CB-CG1 4.23Å; I8-V33 CarbonylContact O-C 3.52Å; I8-V33 WeakPolarHBondContact O-CA 3.5Å; F11-V33 HydrophobicContact CD2-CB 4.37Å; F11-V33 HydrophobicContact CD2-CG1 4.2Å; F11-V33 HydrophobicContact CE2-CG1 3.99Å; V30-V33 HydrophobicContact CG1-CG1 4.16Å; V33-M43 HydrophobicContact CG2-CE 4.35Å; V33-M43 HydrophobicContact CG2-SD 3.8Å; V33-I74 HydrophobicContact CG1-CG2 3.99Å; V33-I74 HydrophobicContact CG2-CG2 4.3Å; V33-S75 PolarHBondContact N-O 3.46Å; V33-V76 HydrophobicContact CG2-CB 4.31Å; V33-V76 HydrophobicContact CG2-CG1 4.35Å; V33-V76 HydrophobicContact CG2-CG2 3.73Å; V33-V76 WeakPolarHBondContact O-CA 2.92Å; V33-H77 PolarHBondContact O-N 3.1Å
34N98.8Very high97.6Very high1 Ų145 Ų451%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-129.2125.1176.2-178.774.2000111I8 N9 G10 H77 C78 E79 I85 W87I8-N34 PolarHBondContact O-N 2.89Å; N9-N34 PolarHBondContact OD1-ND2 2.79Å; G10-N34 PolarHBondContact N-O 2.86Å; N34-H77 VanDerWaalsContact CA-O 3.3Å; N34-H77 WeakPolarHBondContact CA-O 3.47Å; N34-H77 HydrophobicContact CB-CB 4.23Å; N34-H77 VanDerWaalsContact OD1-C 3.26Å; N34-H77 WeakPolarHBondContact OD1-CB 3.31Å; N34-H77 PolarHBondContact OD1-O 2.88Å; N34-C78 PolarHBondContact OD1-N 2.84Å; N34-E79 PolarHBondContact ND2-O 2.86Å; N34-E79 PolarHBondContact OD1-N 3.35Å; N34-I85 HydrophobicContact CB-CD1 3.82Å; N34-I85 HydrophobicContact CB-CG1 4.26Å; N34-I85 HydrophobicContact CB-CG2 4.22Å; N34-I85 WeakPolarHBondContact ND2-CD1 3.45Å; N34-W87 HydrophobicContact CB-CH2 3.92Å; N34-W87 HydrophobicContact CB-CZ2 4.49Å
35D98.5Very high97.9Very high14 Ų1447 Ų478%0.07523%0.225CC..  trans-153.2114.7164.9-161.5-52.3000110.9F11 F37 I38 M43 H77F11-D35 HydrophobicContact CB-CB 3.84Å; F11-D35 PolarHBondContact N-OD2 2.87Å; D35-F37 PolarHBondContact O-N 3.31Å; D35-F37 VanDerWaalsContact O-N 3.14Å; D35-F37 WeakPolarHBondContact OD1-CB 3.19Å; D35-F37 PolarHBondContact OD1-N 2.85Å; D35-I38 HydrophobicContact CB-CB 4.27Å; D35-I38 HydrophobicContact CB-CD1 4.18Å; D35-I38 HydrophobicContact CB-CG1 4.26Å; D35-I38 PolarHBondContact O-N 2.89Å; D35-I38 WeakPolarHBondContact OD2-CD1 3.48Å; D35-M43 HydrophobicContact CB-CE 3.95Å; D35-H77 PolarHBondContact N-O 3.01Å
36P97.9Very high98Very high38 Ų3845.3 Ų45.325%0.24722%0.219CC..THydrogen-bonded Turntrans-71.7-4.1-177.130.4-36.1000114.3C78 R80P36-C78 WeakPolarHBondContact CB-O 3.3Å; P36-R80 HydrophobicContact CB-CG 3.62Å; P36-R80 HydrophobicContact CG-CG 3.88Å
37F97.8Very high98.1Very high151 Ų15141.4 Ų41.466%0.66220%0.198SC*.THydrogen-bonded Turntrans-111.90.7-176.5-52.8-69.4000113.6D35D35-F37 PolarHBondContact O-N 3.31Å; D35-F37 VanDerWaalsContact O-N 3.14Å; D35-F37 WeakPolarHBondContact OD1-CB 3.19Å; D35-F37 PolarHBondContact OD1-N 2.85Å
38I97.1Very high98.2Very high16 Ų1643.1 Ų43.18%0.08220%0.201CC..  trans-134.1113.2-173.2-49.4174.6000108.5F11 D35 Y42 M43 M46F11-I38 HydrophobicContact CB-CD1 4.16Å; D35-I38 HydrophobicContact CB-CB 4.27Å; D35-I38 HydrophobicContact CB-CD1 4.18Å; D35-I38 HydrophobicContact CB-CG1 4.26Å; D35-I38 PolarHBondContact O-N 2.89Å; D35-I38 WeakPolarHBondContact OD2-CD1 3.48Å; I38-Y42 HydrophobicContact CG2-CD1 3.84Å; I38-Y42 HydrophobicContact CG2-CG 4.02Å; I38-M43 HydrophobicContact CB-CE 4.29Å; I38-M43 HydrophobicContact CB-CG 4.18Å; I38-M43 HydrophobicContact CG2-CB 4.32Å; I38-M43 HydrophobicContact CG2-CG 3.48Å; I38-M43 VanDerWaalsContact CG2-CG 3.48Å; I38-M43 WeakPolarHBondContact O-CE 3.47Å; I38-M46 HydrophobicContact CD1-SD 3.97Å; I38-M46 HydrophobicContact CG1-SD 4.49Å; I38-M46 HydrophobicContact CG2-SD 3.97Å
39D97.4Very high98.2Very high97 Ų9750.2 Ų50.252%0.51923%0.228SC..  trans-73.9166.7173.26757.3000112.1E41 Y42 M43D39-E41 PolarHBondContact O-N 2.8Å; D39-E41 PolarHBondContact OD1-N 2.75Å; D39-E41 VanDerWaalsContact OD1-N 3.15Å; D39-Y42 PolarHBondContact O-N 2.74Å; D39-Y42 VanDerWaalsContact O-N 3.16Å; D39-Y42 WeakPolarHBondContact OD1-CB 3.22Å; D39-Y42 PolarHBondContact OD1-N 3.25Å; D39-M43 WeakPolarHBondContact O-CG 3.36Å; D39-M43 PolarHBondContact O-N 2.77Å
40L98.2Very high98.2Very high34 Ų3450 Ų5018%0.17823%0.226CC..Hα-helixtrans-58.5-42.7-174.4174.962.6000113.3Y42 M43 V44 T62 L67 V76L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-M43 WeakPolarHBondContact O-CB 3.37Å; L40-M43 PolarHBondContact O-N 2.8Å; L40-V44 WeakPolarHBondContact O-CG2 3.26Å; L40-V44 PolarHBondContact O-N 2.81Å; L40-V44 VanDerWaalsContact O-N 3.07Å; L40-T62 HydrophobicContact CD1-CG2 4.08Å; L40-T62 HydrophobicContact CD2-CG2 3.69Å; L40-T62 HydrophobicContact CG-CG2 3.57Å; L40-L67 HydrophobicContact CD1-CB 3.84Å; L40-V76 HydrophobicContact CD1-CB 4.5Å; L40-V76 HydrophobicContact CD1-CG2 3.73Å
41E98.2Very high98.2Very high118 Ų11855.9 Ų55.955%0.55127%0.268SS*.Hα-helixtrans-67.2-39178.9-69.3-59.4147.600110.6D39 V44 Y45 T62D39-E41 PolarHBondContact O-N 2.8Å; D39-E41 PolarHBondContact OD1-N 2.75Å; D39-E41 VanDerWaalsContact OD1-N 3.15Å; E41-V44 WeakPolarHBondContact O-CB 3.37Å; E41-V44 PolarHBondContact O-N 3.15Å; E41-Y45 PolarHBondContact O-N 3.11Å; E41-T62 WeakPolarHBondContact OE1-CG2 3.4Å
42Y98.4Very high98.2Very high110 Ų11056.2 Ų56.243%0.43127%0.27SS..Hα-helixtrans-67.9-37.9176.2-165.9-161000111.7I38 D39 L40 V44 Y45 M46I38-Y42 HydrophobicContact CG2-CD1 3.84Å; I38-Y42 HydrophobicContact CG2-CG 4.02Å; D39-Y42 PolarHBondContact O-N 2.74Å; D39-Y42 VanDerWaalsContact O-N 3.16Å; D39-Y42 WeakPolarHBondContact OD1-CB 3.22Å; D39-Y42 PolarHBondContact OD1-N 3.25Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; Y42-V44 VanDerWaalsContact C-N 3.33Å; Y42-V44 PolarHBondContact O-N 3.25Å; Y42-Y45 AromaticContact CD2-CD1 3.84Å; Y42-Y45 HydrophobicContact CD2-CD1 3.84Å; Y42-Y45 HydrophobicContact CD2-CG 4.47Å; Y42-Y45 AromaticContact CE2-CD1 3.71Å; Y42-Y45 HydrophobicContact CE2-CD1 3.71Å; Y42-Y45 HydrophobicContact CE2-CE1 4.15Å; Y42-Y45 WeakPolarHBondContact O-CB 3.35Å; Y42-Y45 PolarHBondContact O-N 3.41Å; Y42-M46 HydrophobicContact CD1-SD 4.35Å; Y42-M46 HydrophobicContact CD2-CG 3.75Å; Y42-M46 HydrophobicContact CD2-SD 4.17Å; Y42-M46 HydrophobicContact CE1-SD 4.12Å; Y42-M46 HydrophobicContact CE2-CG 3.59Å; Y42-M46 HydrophobicContact CE2-SD 3.94Å; Y42-M46 HydrophobicContact CG-CG 4.44Å; Y42-M46 HydrophobicContact CG-SD 4.37Å; Y42-M46 VanDerWaalsContact O-CG 3.28Å; Y42-M46 WeakPolarHBondContact O-CG 3.44Å; Y42-M46 PolarHBondContact O-N 2.79Å
43M98.6Very high98.2Very high0 Ų057.5 Ų57.50%028%0.276CS..Hα-helixtrans-57.3-46.2171.2-69.6-168.4-176.500111.2F11 V33 D35 I38 D39 L40 Y45 M46 I47 V76F11-M43 HydrophobicContact CD1-CB 4.18Å; F11-M43 HydrophobicContact CD1-CG 3.79Å; F11-M43 HydrophobicContact CD1-SD 4.04Å; F11-M43 HydrophobicContact CE1-CB 3.94Å; F11-M43 HydrophobicContact CE1-CG 4.05Å; F11-M43 HydrophobicContact CE1-SD 4.31Å; V33-M43 HydrophobicContact CG2-CE 4.35Å; V33-M43 HydrophobicContact CG2-SD 3.8Å; D35-M43 HydrophobicContact CB-CE 3.95Å; I38-M43 HydrophobicContact CB-CE 4.29Å; I38-M43 HydrophobicContact CB-CG 4.18Å; I38-M43 HydrophobicContact CG2-CB 4.32Å; I38-M43 HydrophobicContact CG2-CG 3.48Å; I38-M43 VanDerWaalsContact CG2-CG 3.48Å; I38-M43 WeakPolarHBondContact O-CE 3.47Å; D39-M43 WeakPolarHBondContact O-CG 3.36Å; D39-M43 PolarHBondContact O-N 2.77Å; L40-M43 WeakPolarHBondContact O-CB 3.37Å; L40-M43 PolarHBondContact O-N 2.8Å; M43-Y45 VanDerWaalsContact C-N 3.35Å; M43-Y45 PolarHBondContact O-N 2.96Å; M43-M46 PolarHBondContact O-N 2.96Å; M43-I47 WeakPolarHBondContact O-CD1 3.26Å; M43-I47 VanDerWaalsContact O-CG1 3.23Å; M43-I47 WeakPolarHBondContact O-CG1 3.18Å; M43-I47 PolarHBondContact O-N 3.14Å; M43-V76 HydrophobicContact CE-CG1 3.64Å; M43-V76 HydrophobicContact SD-CG1 3.66Å; M43-V76 HydrophobicContact SD-CG2 4.23Å
44V98.5Very high98.1Very high8 Ų859.2 Ų59.25%0.04829%0.293CS..Hα-helixtrans-57.8-47.1176.4168.10000111L40 E41 Y42 I47 K48 V60 T62 L67L40-V44 WeakPolarHBondContact O-CG2 3.26Å; L40-V44 PolarHBondContact O-N 2.81Å; L40-V44 VanDerWaalsContact O-N 3.07Å; E41-V44 WeakPolarHBondContact O-CB 3.37Å; E41-V44 PolarHBondContact O-N 3.15Å; Y42-V44 VanDerWaalsContact C-N 3.33Å; Y42-V44 PolarHBondContact O-N 3.25Å; V44-I47 PolarHBondContact O-N 3.49Å; V44-K48 HydrophobicContact CG1-CD 3.91Å; V44-K48 HydrophobicContact CG1-CG 4.46Å; V44-K48 WeakPolarHBondContact O-CB 3.49Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.19Å; V44-K48 PolarHBondContact O-N 2.86Å; V44-V60 HydrophobicContact CB-CG1 4.32Å; V44-V60 HydrophobicContact CG1-CG1 4.05Å; V44-V60 HydrophobicContact CG2-CG1 4.18Å; V44-T62 HydrophobicContact CG2-CG2 3.73Å; V44-L67 HydrophobicContact CG2-CD1 3.68Å
45Y98.6Very high98Very high140 Ų14063.4 Ų63.455%0.54932%0.319SS..Hα-helixtrans-58.6-49.6176.6170.2-92.4000112.1E41 Y42 M43 I47 K48 R49E41-Y45 PolarHBondContact O-N 3.11Å; Y42-Y45 AromaticContact CD2-CD1 3.84Å; Y42-Y45 HydrophobicContact CD2-CD1 3.84Å; Y42-Y45 HydrophobicContact CD2-CG 4.47Å; Y42-Y45 AromaticContact CE2-CD1 3.71Å; Y42-Y45 HydrophobicContact CE2-CD1 3.71Å; Y42-Y45 HydrophobicContact CE2-CE1 4.15Å; Y42-Y45 WeakPolarHBondContact O-CB 3.35Å; Y42-Y45 PolarHBondContact O-N 3.41Å; M43-Y45 VanDerWaalsContact C-N 3.35Å; M43-Y45 PolarHBondContact O-N 2.96Å; Y45-I47 VanDerWaalsContact C-N 3.3Å; Y45-I47 PolarHBondContact O-N 3.28Å; Y45-K48 PolarHBondContact O-N 3.28Å; Y45-R49 HydrophobicContact CE2-CG 4.34Å; Y45-R49 PolarHBondContact O-N 3.45Å
46M98.3Very high97.9Very high34 Ų3463.1 Ų63.117%0.16732%0.317CS..Hα-helixtrans-68.4-25.1-176.3-67.1-176.187.500113.7R16 I38 Y42 M43R16-M46 PolarHBondContact NE-O 3.29Å; R16-M46 VanDerWaalsContact NH1-CE 3.26Å; I38-M46 HydrophobicContact CD1-SD 3.97Å; I38-M46 HydrophobicContact CG1-SD 4.49Å; I38-M46 HydrophobicContact CG2-SD 3.97Å; Y42-M46 HydrophobicContact CD1-SD 4.35Å; Y42-M46 HydrophobicContact CD2-CG 3.75Å; Y42-M46 HydrophobicContact CD2-SD 4.17Å; Y42-M46 HydrophobicContact CE1-SD 4.12Å; Y42-M46 HydrophobicContact CE2-CG 3.59Å; Y42-M46 HydrophobicContact CE2-SD 3.94Å; Y42-M46 HydrophobicContact CG-CG 4.44Å; Y42-M46 HydrophobicContact CG-SD 4.37Å; Y42-M46 VanDerWaalsContact O-CG 3.28Å; Y42-M46 WeakPolarHBondContact O-CG 3.44Å; Y42-M46 PolarHBondContact O-N 2.79Å; M43-M46 PolarHBondContact O-N 2.96Å
47I97.8Very high97.7Very high7 Ų765.2 Ų65.24%0.03633%0.331CS..Hα-helixtrans-77.2-47.2171.4-61.1158.8000109.7F11 L19 R20 M43 V44 Y45 R49 F56 V60 L67F11-I47 HydrophobicContact CE1-CD1 3.78Å; F11-I47 HydrophobicContact CE1-CG1 3.68Å; F11-I47 HydrophobicContact CZ-CD1 3.63Å; F11-I47 HydrophobicContact CZ-CG1 3.66Å; L19-I47 HydrophobicContact CD2-CD1 3.82Å; L19-I47 HydrophobicContact CD2-CG1 4.19Å; R20-I47 PolarHBondContact NH2-O 2.91Å; M43-I47 WeakPolarHBondContact O-CD1 3.26Å; M43-I47 VanDerWaalsContact O-CG1 3.23Å; M43-I47 WeakPolarHBondContact O-CG1 3.18Å; M43-I47 PolarHBondContact O-N 3.14Å; V44-I47 PolarHBondContact O-N 3.49Å; Y45-I47 VanDerWaalsContact C-N 3.3Å; Y45-I47 PolarHBondContact O-N 3.28Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.12Å; I47-F56 HydrophobicContact CG2-CB 4.26Å; I47-F56 HydrophobicContact CG2-CD2 3.89Å; I47-F56 HydrophobicContact CG2-CE2 4.41Å; I47-F56 HydrophobicContact CG2-CG 4.02Å; I47-F56 WeakPolarHBondContact O-CB 3.17Å; I47-V60 HydrophobicContact CB-CG1 4.22Å; I47-V60 HydrophobicContact CB-CG2 4.47Å; I47-V60 HydrophobicContact CD1-CG1 4.08Å; I47-V60 HydrophobicContact CG2-CG1 4.26Å; I47-V60 HydrophobicContact CG2-CG2 3.74Å; I47-L67 HydrophobicContact CD1-CD1 3.79Å; I47-L67 HydrophobicContact CD1-CD2 3.61Å; I47-L67 HydrophobicContact CD1-CG 4.31Å
48K98Very high97.6Very high86 Ų8659.9 Ų59.937%0.37432%0.319SS..Hα-helixtrans-59.2-40.5-177.4-80179176.3171.10112.3V44 Y45 T55 F56 V60V44-K48 HydrophobicContact CG1-CD 3.91Å; V44-K48 HydrophobicContact CG1-CG 4.46Å; V44-K48 WeakPolarHBondContact O-CB 3.49Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.19Å; V44-K48 PolarHBondContact O-N 2.86Å; Y45-K48 PolarHBondContact O-N 3.28Å; K48-T55 WeakPolarHBondContact O-CA 3.37Å; K48-T55 WeakPolarHBondContact O-CG2 3.27Å; K48-F56 PolarHBondContact O-N 2.82Å; K48-V60 WeakPolarHBondContact CE-O 3.25Å; K48-V60 HydrophobicContact CG-CB 3.94Å; K48-V60 HydrophobicContact CG-CG2 4.39Å; K48-V60 PolarHBondContact NZ-O 2.93Å
49R97.9Very high97.6Very high152 Ų15266.1 Ų66.157%0.57435%0.347SS*.EExtended strand (participates in β ladder)trans-121.5112-171.9-56.5-59.7-170.1175.54.8110.3Y45 I47 T55Y45-R49 HydrophobicContact CE2-CG 4.34Å; Y45-R49 PolarHBondContact O-N 3.45Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.12Å; R49-T55 PolarHBondContact NH1-OG1 2.7Å
50D98.4Very high97.6Very high14 Ų1461.8 Ų61.88%0.07532%0.324CS..EExtended strand (participates in β ladder)trans-120.9126.9171.8-160.4-80.1000109.9R13 R16 T52 H53 G54R13-D50 IonicContact CZ-OD1 2.63Å; R13-D50 IonicContact CZ-OD2 3.3Å; R13-D50 IonicContact NH1-OD1 2.83Å; R13-D50 PolarHBondContact NH1-OD1 3.21Å; R13-D50 IonicContact NH1-OD2 3.98Å; R13-D50 PolarHBondContact NH1-OD2 3.46Å; R13-D50 IonicContact NH2-OD1 2.75Å; R13-D50 PolarHBondContact NH2-OD1 3.14Å; R13-D50 IonicContact NH2-OD2 3.54Å; R13-D50 PolarHBondContact NH2-OD2 2.92Å; R16-D50 IonicContact NH2-OD2 3.01Å; D50-T52 PolarHBondContact O-N 2.77Å; D50-T52 WeakPolarHBondContact OD1-CA 3.49Å; D50-T52 WeakPolarHBondContact OD1-CB 3.15Å; D50-T52 PolarHBondContact OD1-N 2.83Å; D50-H53 HydrophobicContact CB-CB 4.34Å; D50-H53 IonicContact OD1-CD2 2.7Å; D50-H53 PolarHBondContact OD1-N 2.9Å; D50-G54 WeakPolarHBondContact CB-O 3.45Å; D50-G54 PolarHBondContact N-O 3.39Å; D50-G54 VanDerWaalsContact O-CA 3.26Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.44Å
51S98.4Very high97.6Very high131 Ų13162.3 Ų62.392%0.91633%0.331SS*.THydrogen-bonded Turntrans-68.9-22.9-180-59.40000113.3
52T98.4Very high97.6Very high30 Ų3059.1 Ų59.118%0.18432%0.32CS..THydrogen-bonded Turntrans-97.5-53.5-178.6-55.10000110.3R13 D50 D240 V288R13-T52 PolarHBondContact NH2-OG1 2.84Å; D50-T52 PolarHBondContact O-N 2.77Å; D50-T52 WeakPolarHBondContact OD1-CA 3.49Å; D50-T52 WeakPolarHBondContact OD1-CB 3.15Å; D50-T52 PolarHBondContact OD1-N 2.83Å; T52-D240 HydrophobicContact CG2-CB 3.32Å; T52-D240 VanDerWaalsContact CG2-OD2 3.31Å; T52-D240 WeakPolarHBondContact CG2-OD2 3.48Å; T52-V288 HydrophobicContact CG2-CG1 4.15Å; T52-V288 WeakPolarHBondContact O-CG1 3.43Å
53H98.1Very high97.6Very high27 Ų2757.2 Ų57.213%0.12531%0.314CS..THydrogen-bonded Turntrans-97.610-171.1-59.3-75.7000113.3R13 L17 R20 D50 D240 D316 E318R13-H53 PolarHBondContact NH2-CD2 2.87Å; L17-H53 HydrophobicContact CD2-CB 4.28Å; R20-H53 PolarHBondContact NH1-O 3.08Å; D50-H53 HydrophobicContact CB-CB 4.34Å; D50-H53 IonicContact OD1-CD2 2.7Å; D50-H53 PolarHBondContact OD1-N 2.9Å; H53-D240 IonicContact CE1-OD2 3.26Å; H53-D240 PolarHBondContact CE1-OD2 3.15Å; H53-D240 IonicContact NE2-OD2 3.98Å; H53-D240 PolarHBondContact NE2-OD2 3.48Å; H53-D316 IonicContact CE1-OD1 2.84Å; H53-D316 IonicContact CE1-OD2 2.79Å; H53-D316 PolarHBondContact CE1-OD2 2.87Å; H53-E318 IonicContact CD2-OE2 3.35Å; H53-E318 IonicContact NE2-OE2 3.2Å; H53-E318 PolarHBondContact NE2-OE2 3.2Å
54G97.1Very high97.5Very high35 Ų3564 Ų6436%0.36135%0.351SS..EExtended strand (participates in β ladder)trans65.5-165.9179.500000115R20 D50R20-G54 PolarHBondContact NH2-O 3.29Å; D50-G54 WeakPolarHBondContact CB-O 3.45Å; D50-G54 PolarHBondContact N-O 3.39Å; D50-G54 VanDerWaalsContact O-CA 3.26Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.44Å
55T97Very high97.4Very high89 Ų8966.5 Ų66.555%0.54638%0.378SS..EExtended strand (participates in β ladder)trans-68.8140.2-177.8-59.20000110.6K48 R49K48-T55 WeakPolarHBondContact O-CA 3.37Å; K48-T55 WeakPolarHBondContact O-CG2 3.27Å; R49-T55 PolarHBondContact NH1-OG1 2.7Å
56F96.6Very high97.4Very high9 Ų963.4 Ų63.44%0.03937%0.368CS..  trans-60.2130.5176-177.9-98.7000111R20 F23 I47 K48 G58 V60 V69R20-F56 HydrophobicContact CB-CE2 4.34Å; R20-F56 HydrophobicContact CG-CD2 4.11Å; R20-F56 HydrophobicContact CG-CE2 4.07Å; F23-F56 HydrophobicContact CB-CZ 4.3Å; F23-F56 HydrophobicContact CG-CZ 4.36Å; I47-F56 HydrophobicContact CG2-CB 4.26Å; I47-F56 HydrophobicContact CG2-CD2 3.89Å; I47-F56 HydrophobicContact CG2-CE2 4.41Å; I47-F56 HydrophobicContact CG2-CG 4.02Å; I47-F56 WeakPolarHBondContact O-CB 3.17Å; K48-F56 PolarHBondContact O-N 2.82Å; F56-G58 PolarHBondContact O-N 3.07Å; F56-V60 HydrophobicContact CB-CG2 4.45Å; F56-V60 HydrophobicContact CD1-CG2 3.48Å; F56-V60 VanDerWaalsContact CD1-CG2 3.48Å; F56-V60 HydrophobicContact CE1-CG2 3.87Å; F56-V60 HydrophobicContact CG-CG2 4.05Å; F56-V69 HydrophobicContact CE1-CG1 3.68Å; F56-V69 HydrophobicContact CZ-CG1 3.52Å
57P93.4Very high97.4Very high82 Ų8261.8 Ų61.853%0.53236%0.36SS..SBendtrans-80.964.9-177.433.9-36.1000111.2L24L24-P57 HydrophobicContact CD2-CG 3.93Å
58G95.1Very high97.4Very high39 Ų3964.1 Ų64.140%0.40237%0.369SS..SBendtrans169.9-172.6-178.800000113.4F56 N70F56-G58 PolarHBondContact O-N 3.07Å; G58-N70 VanDerWaalsContact CA-OD1 3.29Å; G58-N70 WeakPolarHBondContact CA-OD1 3.28Å
59E97.1Very high97.4Very high147 Ų14760 Ų6069%0.68735%0.352SS*.  trans-93.9132.4179.5-67.4-174175.300111V69 N70E59-V69 CarbonylContact O-C 3.59Å; E59-V69 WeakPolarHBondContact O-CA 3.47Å; E59-N70 PolarHBondContact N-OD1 2.77Å; E59-N70 PolarHBondContact O-N 3.2Å
60V98.1Very high97.3Very high6 Ų656.5 Ų56.54%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-130.7128174.8-173.10000107.9V44 I47 K48 F56 L67 K68 V69V44-V60 HydrophobicContact CB-CG1 4.32Å; V44-V60 HydrophobicContact CG1-CG1 4.05Å; V44-V60 HydrophobicContact CG2-CG1 4.18Å; I47-V60 HydrophobicContact CB-CG1 4.22Å; I47-V60 HydrophobicContact CB-CG2 4.47Å; I47-V60 HydrophobicContact CD1-CG1 4.08Å; I47-V60 HydrophobicContact CG2-CG1 4.26Å; I47-V60 HydrophobicContact CG2-CG2 3.74Å; K48-V60 WeakPolarHBondContact CE-O 3.25Å; K48-V60 HydrophobicContact CG-CB 3.94Å; K48-V60 HydrophobicContact CG-CG2 4.39Å; K48-V60 PolarHBondContact NZ-O 2.93Å; F56-V60 HydrophobicContact CB-CG2 4.45Å; F56-V60 HydrophobicContact CD1-CG2 3.48Å; F56-V60 VanDerWaalsContact CD1-CG2 3.48Å; F56-V60 HydrophobicContact CE1-CG2 3.87Å; F56-V60 HydrophobicContact CG-CG2 4.05Å; V60-L67 HydrophobicContact CG1-CD1 3.89Å; V60-K68 CarbonylContact C-O 3.5Å; V60-K68 VanDerWaalsContact CA-O 3.32Å; V60-K68 WeakPolarHBondContact CA-O 3.42Å; V60-V69 HydrophobicContact CG1-CG2 4.3Å; V60-V69 HydrophobicContact CG2-CG1 4.46Å
61S98.5Very high97.2Very high45 Ų4558.1 Ų58.132%0.31536%0.364SS..EExtended strand (participates in β ladder)trans-156.4-173.3178.2600000110.1K68S61-K68 PolarHBondContact N-O 3.35Å; S61-K68 PolarHBondContact O-N 3.12Å
62T98.3Very high97.1Very high51 Ų5155 Ų5531%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-110.9145.9171.960.30000109.8L40 E41 V44 K66L40-T62 HydrophobicContact CD1-CG2 4.08Å; L40-T62 HydrophobicContact CD2-CG2 3.69Å; L40-T62 HydrophobicContact CG-CG2 3.57Å; E41-T62 WeakPolarHBondContact OE1-CG2 3.4Å; V44-T62 HydrophobicContact CG2-CG2 3.73Å; T62-K66 WeakPolarHBondContact CA-O 2.96Å
63E98.2Very high97Very high69 Ų6957 Ų5732%0.32234%0.344SS..EExtended strand (participates in β ladder)trans-147.8125.4169.6-176.7178.2152.500109.2G65 K66 K68 L73E63-G65 VanDerWaalsContact C-N 3.33Å; E63-G65 PolarHBondContact O-N 2.86Å; E63-K66 PolarHBondContact N-O 3.37Å; E63-K66 WeakPolarHBondContact O-CB 3.15Å; E63-K66 PolarHBondContact O-N 3.32Å; E63-K68 HydrophobicContact CB-CB 4.43Å; E63-K68 HydrophobicContact CB-CD 4.16Å; E63-K68 VanDerWaalsContact OE2-CD 3.25Å; E63-K68 WeakPolarHBondContact OE2-CD 3.47Å; E63-K68 VanDerWaalsContact OE2-CE 3.31Å; E63-K68 WeakPolarHBondContact OE2-CE 3.4Å; E63-K68 IonicContact OE2-NZ 3.58Å; E63-K68 PolarHBondContact OE2-NZ 3.41Å; E63-L73 HydrophobicContact CB-CD2 3.77Å; E63-L73 HydrophobicContact CG-CD2 4.25Å
64N96Very high97.1Very high142 Ų14255.7 Ų55.776%0.75934%0.338SS*.THydrogen-bonded Turntrans52.543.3177.2-56.7-37.1000114.4K66N64-K66 PolarHBondContact O-N 3.15Å
65G96.3Very high97.1Very high61 Ų6154.5 Ų54.563%0.62932%0.323SS*.THydrogen-bonded Turntrans71.510.6-17800000114.5E63E63-G65 VanDerWaalsContact C-N 3.33Å; E63-G65 PolarHBondContact O-N 2.86Å
66K98.4Very high97.2Very high75 Ų7551.7 Ų51.733%0.32631%0.306SS..EExtended strand (participates in β ladder)trans-111.8155.2176.6-62.3-165.3179-147.90111.3T62 E63 N64 L73 I74 S75T62-K66 WeakPolarHBondContact CA-O 2.96Å; E63-K66 PolarHBondContact N-O 3.37Å; E63-K66 WeakPolarHBondContact O-CB 3.15Å; E63-K66 PolarHBondContact O-N 3.32Å; N64-K66 PolarHBondContact O-N 3.15Å; K66-L73 HydrophobicContact CB-CB 4.4Å; K66-L73 HydrophobicContact CD-CB 4.03Å; K66-I74 WeakPolarHBondContact CB-O 3.47Å; K66-S75 PolarHBondContact NZ-OG 2.95Å
67L98.5Very high97.3Very high0 Ų053 Ų530%031%0.312CS..EExtended strand (participates in β ladder)trans-75.3128.3168173.266.8000108.6L19 L40 V44 I47 V60 V69 L73 I74 V76L19-L67 HydrophobicContact CD2-CD2 4.35Å; L40-L67 HydrophobicContact CD1-CB 3.84Å; V44-L67 HydrophobicContact CG2-CD1 3.68Å; I47-L67 HydrophobicContact CD1-CD1 3.79Å; I47-L67 HydrophobicContact CD1-CD2 3.61Å; I47-L67 HydrophobicContact CD1-CG 4.31Å; V60-L67 HydrophobicContact CG1-CD1 3.89Å; L67-V69 HydrophobicContact CD1-CG2 4.22Å; L67-V69 HydrophobicContact CD2-CG2 4.12Å; L67-V69 HydrophobicContact CG-CG2 3.93Å; L67-L73 CarbonylContact O-C 3.56Å; L67-L73 WeakPolarHBondContact O-CA 3.09Å; L67-I74 HydrophobicContact CB-CB 4.2Å; L67-I74 HydrophobicContact CD2-CD1 4.32Å; L67-I74 PolarHBondContact N-O 3.26Å; L67-I74 PolarHBondContact O-N 2.87Å; L67-V76 HydrophobicContact CB-CG2 3.78Å
68K98.3Very high97.5Very high56 Ų5652.6 Ų52.624%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-109.9121175.7-174.9177.9-174.3170.80109.6V60 S61 E63 K72 L73V60-K68 CarbonylContact C-O 3.5Å; V60-K68 VanDerWaalsContact CA-O 3.32Å; V60-K68 WeakPolarHBondContact CA-O 3.42Å; S61-K68 PolarHBondContact N-O 3.35Å; S61-K68 PolarHBondContact O-N 3.12Å; E63-K68 HydrophobicContact CB-CB 4.43Å; E63-K68 HydrophobicContact CB-CD 4.16Å; E63-K68 VanDerWaalsContact OE2-CD 3.25Å; E63-K68 WeakPolarHBondContact OE2-CD 3.47Å; E63-K68 VanDerWaalsContact OE2-CE 3.31Å; E63-K68 WeakPolarHBondContact OE2-CE 3.4Å; E63-K68 IonicContact OE2-NZ 3.58Å; E63-K68 PolarHBondContact OE2-NZ 3.41Å; K68-K72 CarbonylContact C-O 3.57Å; K68-K72 VanDerWaalsContact CA-O 3.3Å; K68-K72 WeakPolarHBondContact CA-O 3.26Å; K68-L73 HydrophobicContact CB-CD2 3.93Å; K68-L73 HydrophobicContact CD-CD2 4.28Å; K68-L73 HydrophobicContact CG-CD2 4.01Å
69V97.4Very high97.6Very high0 Ų054.4 Ų54.40%031%0.309CS..EExtended strand (participates in β ladder)trans-128.3119176.6-176.50000109.2F23 F56 E59 V60 L67 G71 K72 I74F23-V69 HydrophobicContact CD1-CG1 4.02Å; F23-V69 HydrophobicContact CD2-CB 4.46Å; F23-V69 HydrophobicContact CD2-CG1 3.75Å; F23-V69 HydrophobicContact CE1-CB 4Å; F23-V69 HydrophobicContact CE1-CG1 3.72Å; F23-V69 WeakPolarHBondContact CE1-O 3.16Å; F23-V69 HydrophobicContact CE2-CB 3.66Å; F23-V69 HydrophobicContact CE2-CG1 3.45Å; F23-V69 VanDerWaalsContact CE2-CG1 3.45Å; F23-V69 HydrophobicContact CE2-CG2 4.29Å; F23-V69 HydrophobicContact CG-CG1 4.05Å; F23-V69 HydrophobicContact CZ-CB 3.41Å; F23-V69 VanDerWaalsContact CZ-CB 3.41Å; F23-V69 HydrophobicContact CZ-CG1 3.45Å; F23-V69 VanDerWaalsContact CZ-CG1 3.45Å; F23-V69 HydrophobicContact CZ-CG2 4.41Å; F56-V69 HydrophobicContact CE1-CG1 3.68Å; F56-V69 HydrophobicContact CZ-CG1 3.52Å; E59-V69 CarbonylContact O-C 3.59Å; E59-V69 WeakPolarHBondContact O-CA 3.47Å; V60-V69 HydrophobicContact CG1-CG2 4.3Å; V60-V69 HydrophobicContact CG2-CG1 4.46Å; L67-V69 HydrophobicContact CD1-CG2 4.22Å; L67-V69 HydrophobicContact CD2-CG2 4.12Å; L67-V69 HydrophobicContact CG-CG2 3.93Å; V69-G71 PolarHBondContact O-N 2.98Å; V69-K72 PolarHBondContact N-O 3.22Å; V69-K72 WeakPolarHBondContact O-CB 3.32Å; V69-K72 PolarHBondContact O-N 3.36Å; V69-I74 HydrophobicContact CG2-CD1 4.19Å
70N95.7Very high97.6Very high79 Ų7956.4 Ų56.442%0.42231%0.31SS..THydrogen-bonded Turntrans46.147.6-175.5-68.4-15.5000112.5F23 G58 E59 K72F23-N70 HydrophobicContact CD1-CB 4.41Å; F23-N70 HydrophobicContact CE1-CB 4.27Å; G58-N70 VanDerWaalsContact CA-OD1 3.29Å; G58-N70 WeakPolarHBondContact CA-OD1 3.28Å; E59-N70 PolarHBondContact N-OD1 2.77Å; E59-N70 PolarHBondContact O-N 3.2Å; N70-K72 PolarHBondContact O-N 3.11Å
71G95.8Very high97.5Very high48 Ų4859.8 Ų59.850%0.49533%0.328SS..THydrogen-bonded Turntrans80.2-15.5-17900000115.8V69V69-G71 PolarHBondContact O-N 2.98Å
72K96.4Very high97.4Very high65 Ų6557.9 Ų57.928%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-84.1131179.6-62.6-172.6-176.6175.30111.3F23 D29 K68 V69 N70F23-K72 HydrophobicContact CE1-CB 4.42Å; F23-K72 HydrophobicContact CE1-CD 3.89Å; F23-K72 HydrophobicContact CE1-CG 4.36Å; F23-K72 HydrophobicContact CZ-CB 4.33Å; F23-K72 HydrophobicContact CZ-CD 4.21Å; D29-K72 IonicContact OD1-NZ 3.72Å; D29-K72 PolarHBondContact OD1-NZ 3.35Å; K68-K72 CarbonylContact C-O 3.57Å; K68-K72 VanDerWaalsContact CA-O 3.3Å; K68-K72 WeakPolarHBondContact CA-O 3.26Å; V69-K72 PolarHBondContact N-O 3.22Å; V69-K72 WeakPolarHBondContact O-CB 3.32Å; V69-K72 PolarHBondContact O-N 3.36Å; N70-K72 PolarHBondContact O-N 3.11Å
73L98.1Very high97.3Very high72 Ų7256.2 Ų56.238%0.37731%0.305SS..EExtended strand (participates in β ladder)trans-88.4132.9175.3-58.7-179.2000111.2E63 K66 L67 K68E63-L73 HydrophobicContact CB-CD2 3.77Å; E63-L73 HydrophobicContact CG-CD2 4.25Å; K66-L73 HydrophobicContact CB-CB 4.4Å; K66-L73 HydrophobicContact CD-CB 4.03Å; L67-L73 CarbonylContact O-C 3.56Å; L67-L73 WeakPolarHBondContact O-CA 3.09Å; K68-L73 HydrophobicContact CB-CD2 3.93Å; K68-L73 HydrophobicContact CD-CD2 4.28Å; K68-L73 HydrophobicContact CG-CD2 4.01Å
74I98.6Very high97.3Very high0 Ų056.9 Ų56.90%031%0.311CS..EExtended strand (participates in β ladder)trans-125.4122-177.5-56.5179.8000107.2L19 F23 V30 V33 K66 L67 V69L19-I74 HydrophobicContact CD1-CD1 3.78Å; F23-I74 HydrophobicContact CE2-CD1 4.08Å; F23-I74 HydrophobicContact CZ-CD1 4.21Å; V30-I74 HydrophobicContact CB-CD1 4.42Å; V30-I74 HydrophobicContact CG1-CD1 4.38Å; V30-I74 HydrophobicContact CG1-CG2 4.28Å; V33-I74 HydrophobicContact CG1-CG2 3.99Å; V33-I74 HydrophobicContact CG2-CG2 4.3Å; K66-I74 WeakPolarHBondContact CB-O 3.47Å; L67-I74 HydrophobicContact CB-CB 4.2Å; L67-I74 HydrophobicContact CD2-CD1 4.32Å; L67-I74 PolarHBondContact N-O 3.26Å; L67-I74 PolarHBondContact O-N 2.87Å; V69-I74 HydrophobicContact CG2-CD1 4.19Å
75S98.6Very high97.4Very high9 Ų950.1 Ų50.16%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-65.3144.5175.4-66.20000110.6V31 S32 V33 K66 D90V31-S75 PolarHBondContact O-N 2.91Å; S32-S75 CarbonylContact C-O 3.58Å; S32-S75 WeakPolarHBondContact CA-O 3.32Å; V33-S75 PolarHBondContact N-O 3.46Å; K66-S75 PolarHBondContact NZ-OG 2.95Å; S75-D90 WeakPolarHBondContact CB-OD1 3.4Å; S75-D90 VanDerWaalsContact CB-OD2 3.25Å; S75-D90 WeakPolarHBondContact CB-OD2 3.49Å; S75-D90 VanDerWaalsContact OG-CG 3.26Å; S75-D90 PolarHBondContact OG-OD1 2.76Å
76V98.5Very high97.4Very high30 Ų3048.3 Ų48.318%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-122.3132.7-179.6179.40000109.4V33 L40 M43 L67V33-V76 HydrophobicContact CG2-CB 4.31Å; V33-V76 HydrophobicContact CG2-CG1 4.35Å; V33-V76 HydrophobicContact CG2-CG2 3.73Å; V33-V76 WeakPolarHBondContact O-CA 2.92Å; L40-V76 HydrophobicContact CD1-CB 4.5Å; L40-V76 HydrophobicContact CD1-CG2 3.73Å; M43-V76 HydrophobicContact CE-CG1 3.64Å; M43-V76 HydrophobicContact SD-CG1 3.66Å; M43-V76 HydrophobicContact SD-CG2 4.23Å; L67-V76 HydrophobicContact CB-CG2 3.78Å
77H98.1Very high97.4Very high37 Ų3744.7 Ų44.717%0.17124%0.237CC..EExtended strand (participates in β ladder)trans-127.3156.2176.8-57.6-70.3000110.9S32 V33 N34 D35 I85 P86 D90S32-H77 PolarHBondContact OG-CD2 2.96Å; S32-H77 VanDerWaalsContact OG-CD2 3.3Å; S32-H77 PolarHBondContact OG-NE2 3.38Å; V33-H77 PolarHBondContact O-N 3.1Å; N34-H77 VanDerWaalsContact CA-O 3.3Å; N34-H77 WeakPolarHBondContact CA-O 3.47Å; N34-H77 HydrophobicContact CB-CB 4.23Å; N34-H77 VanDerWaalsContact OD1-C 3.26Å; N34-H77 WeakPolarHBondContact OD1-CB 3.31Å; N34-H77 PolarHBondContact OD1-O 2.88Å; D35-H77 PolarHBondContact N-O 3.01Å; H77-I85 HydrophobicContact CB-CG2 4.4Å; H77-P86 WeakPolarHBondContact CE1-CG 3.47Å; H77-D90 IonicContact CD2-OD2 3.27Å; H77-D90 IonicContact CE1-OD2 3.63Å; H77-D90 IonicContact NE2-OD2 2.8Å; H77-D90 PolarHBondContact NE2-OD2 2.95Å
78C97.2Very high97.3Very high73 Ų7348.7 Ų48.749%0.49326%0.258SS..  trans-128.138.7-179.1-60.60000111.4N34 P36N34-C78 PolarHBondContact OD1-N 2.84Å; P36-C78 WeakPolarHBondContact CB-O 3.3Å
79E97.4Very high97.3Very high78 Ų7854.2 Ų54.236%0.36428%0.282SS..  trans-84.3135.2-176.7-64.7-62.4157.500111.4N34 N84 I85N34-E79 PolarHBondContact ND2-O 2.86Å; N34-E79 PolarHBondContact OD1-N 3.35Å; E79-N84 HydrophobicContact CB-CB 4.44Å; E79-N84 HydrophobicContact CG-CB 4.2Å; E79-I85 HydrophobicContact CB-CG1 3.81Å; E79-I85 HydrophobicContact CG-CG1 4.33Å
80R96.9Very high97.3Very high188 Ų18855.8 Ų55.871%0.70929%0.29SS*.SBendtrans-83.1-34.2173.7-70.9-174.6174.5-167.3-0112.9P36P36-R80 HydrophobicContact CB-CG 3.62Å; P36-R80 HydrophobicContact CG-CG 3.88Å
81D96.3Very high97.3Very high78 Ų7853.6 Ų53.642%0.41729%0.287SS..SBendtrans-91.3117.4178.1-172-21.6000109.3A83 N84D81-A83 PolarHBondContact O-N 3.43Å; D81-A83 VanDerWaalsContact O-N 3.08Å; D81-A83 VanDerWaalsContact OD1-CB 3.3Å; D81-A83 WeakPolarHBondContact OD1-CB 3.3Å; D81-A83 PolarHBondContact OD1-N 3.05Å; D81-N84 HydrophobicContact CB-CB 4.48Å; D81-N84 PolarHBondContact O-N 2.87Å
82P97.3Very high97.4Very high5 Ų551.5 Ų51.53%0.03226%0.264CS..THydrogen-bonded Turntrans-58-22.6178.623.4-34.4000113.9N84 I85 F102 A110 H111P82-N84 VanDerWaalsContact C-N 3.27Å; P82-N84 PolarHBondContact O-N 3.41Å; P82-I85 HydrophobicContact CB-CD1 4.49Å; P82-F102 HydrophobicContact CB-CE2 4.49Å; P82-F102 VanDerWaalsContact CD-CZ 3.45Å; P82-F102 HydrophobicContact CG-CD1 4.07Å; P82-F102 HydrophobicContact CG-CD2 4.27Å; P82-F102 HydrophobicContact CG-CE1 3.78Å; P82-F102 HydrophobicContact CG-CE2 4Å; P82-F102 HydrophobicContact CG-CG 4.32Å; P82-F102 HydrophobicContact CG-CZ 3.75Å; P82-A110 HydrophobicContact CB-CB 4.01Å; P82-A110 HydrophobicContact CG-CB 3.64Å; P82-H111 WeakPolarHBondContact CB-CE1 2.96Å; P82-H111 WeakPolarHBondContact CB-ND1 3.21Å; P82-H111 PolarHBondContact O-ND1 3.42Å
83A96.4Very high97.5Very high15 Ų1550.9 Ų50.912%0.12426%0.262CS..THydrogen-bonded Turntrans-74.4-14.2176.300000113.8D81 A110 R116D81-A83 PolarHBondContact O-N 3.43Å; D81-A83 VanDerWaalsContact O-N 3.08Å; D81-A83 VanDerWaalsContact OD1-CB 3.3Å; D81-A83 WeakPolarHBondContact OD1-CB 3.3Å; D81-A83 PolarHBondContact OD1-N 3.05Å; A83-A110 WeakPolarHBondContact CA-O 3.26Å; A83-A110 HydrophobicContact CB-CB 4.28Å; A83-R116 PolarHBondContact O-NH1 3.45Å; A83-R116 PolarHBondContact O-NH2 3.16Å
84N96.8Very high97.5Very high84 Ų8447.5 Ų47.545%0.44925%0.245SC..THydrogen-bonded Turntrans-94.6-15-179.7-71.4-19.9000113.6E79 D81 P82 R116E79-N84 HydrophobicContact CB-CB 4.44Å; E79-N84 HydrophobicContact CG-CB 4.2Å; D81-N84 HydrophobicContact CB-CB 4.48Å; D81-N84 PolarHBondContact O-N 2.87Å; P82-N84 VanDerWaalsContact C-N 3.27Å; P82-N84 PolarHBondContact O-N 3.41Å; N84-R116 PolarHBondContact O-NH1 3.46Å
85I97.8Very high97.6Very high0 Ų047.5 Ų47.50%025%0.245CC..  trans-66.9125.3179.9-49.1165.1000110N34 H77 E79 P82 W87 R116N34-I85 HydrophobicContact CB-CD1 3.82Å; N34-I85 HydrophobicContact CB-CG1 4.26Å; N34-I85 HydrophobicContact CB-CG2 4.22Å; N34-I85 WeakPolarHBondContact ND2-CD1 3.45Å; H77-I85 HydrophobicContact CB-CG2 4.4Å; E79-I85 HydrophobicContact CB-CG1 3.81Å; E79-I85 HydrophobicContact CG-CG1 4.33Å; P82-I85 HydrophobicContact CB-CD1 4.49Å; I85-W87 VanDerWaalsContact C-N 3.3Å; I85-W87 HydrophobicContact CB-CD2 4.23Å; I85-W87 HydrophobicContact CB-CZ2 4.06Å; I85-W87 HydrophobicContact CD1-CH2 4.25Å; I85-W87 HydrophobicContact CD1-CZ2 3.52Å; I85-W87 HydrophobicContact CG1-CZ2 4.36Å; I85-W87 HydrophobicContact CG2-CD2 3.57Å; I85-W87 VanDerWaalsContact CG2-CE2 3.46Å; I85-W87 HydrophobicContact CG2-CE3 3.71Å; I85-W87 HydrophobicContact CG2-CG 4.28Å; I85-W87 HydrophobicContact CG2-CH2 3.69Å; I85-W87 HydrophobicContact CG2-CZ2 3.56Å; I85-W87 HydrophobicContact CG2-CZ3 3.75Å; I85-W87 PolarHBondContact O-N 3.3Å; I85-W87 VanDerWaalsContact O-N 3.09Å; I85-R116 WeakPolarHBondContact O-CD 3.3Å; I85-R116 PolarHBondContact O-NH1 3.17Å
86P97.2Very high97.6Very high22 Ų2247 Ų4714%0.14324%0.242CC..  trans-88.859.9-173.936.8-37.2000112.3H77 D88 K89H77-P86 WeakPolarHBondContact CE1-CG 3.47Å; P86-D88 PolarHBondContact O-N 2.86Å; P86-K89 HydrophobicContact CB-CB 4.28Å; P86-K89 HydrophobicContact CB-CD 3.96Å; P86-K89 HydrophobicContact CB-CG 4.09Å; P86-K89 PolarHBondContact O-N 3.21Å; P86-K89 VanDerWaalsContact O-N 3.1Å
87W98.4Very high97.6Very high0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-53.4-38.5-177-63.7131.9000114N9 S32 N34 I85 K89 D90 G91 A92 V95 H111 R116 A117N9-W87 HydrophobicContact CB-CZ2 4.23Å; S32-W87 WeakPolarHBondContact OG-CZ3 3.44Å; N34-W87 HydrophobicContact CB-CH2 3.92Å; N34-W87 HydrophobicContact CB-CZ2 4.49Å; I85-W87 VanDerWaalsContact C-N 3.3Å; I85-W87 HydrophobicContact CB-CD2 4.23Å; I85-W87 HydrophobicContact CB-CZ2 4.06Å; I85-W87 HydrophobicContact CD1-CH2 4.25Å; I85-W87 HydrophobicContact CD1-CZ2 3.52Å; I85-W87 HydrophobicContact CG1-CZ2 4.36Å; I85-W87 HydrophobicContact CG2-CD2 3.57Å; I85-W87 VanDerWaalsContact CG2-CE2 3.46Å; I85-W87 HydrophobicContact CG2-CE3 3.71Å; I85-W87 HydrophobicContact CG2-CG 4.28Å; I85-W87 HydrophobicContact CG2-CH2 3.69Å; I85-W87 HydrophobicContact CG2-CZ2 3.56Å; I85-W87 HydrophobicContact CG2-CZ3 3.75Å; I85-W87 PolarHBondContact O-N 3.3Å; I85-W87 VanDerWaalsContact O-N 3.09Å; W87-K89 VanDerWaalsContact C-N 3.34Å; W87-K89 PolarHBondContact O-N 2.84Å; W87-D90 CarbonylContact O-C 3.59Å; W87-D90 PolarHBondContact O-N 3.44Å; W87-G91 PolarHBondContact O-N 3.27Å; W87-A92 HydrophobicContact CB-CB 4.08Å; W87-A92 HydrophobicContact CD2-CB 4.46Å; W87-A92 HydrophobicContact CE3-CB 3.96Å; W87-A92 PolarHBondContact O-N 3.17Å; W87-V95 HydrophobicContact CD2-CG2 4.1Å; W87-V95 HydrophobicContact CG-CG2 4.1Å; W87-V95 HydrophobicContact CZ2-CG1 3.87Å; W87-V95 HydrophobicContact CZ2-CG2 4.4Å; W87-H111 AromaticContact CE2-ND1 3.97Å; W87-H111 AromaticContact NE1-CG 3.78Å; W87-H111 AromaticContact NE1-ND1 3.19Å; W87-H111 PolarHBondContact NE1-ND1 3.43Å; W87-H111 VanDerWaalsContact NE1-ND1 3.19Å; W87-R116 CarbonylContact C-O 3.51Å; W87-R116 HydrophobicContact CB-CB 4.43Å; W87-R116 VanDerWaalsContact CB-O 3.24Å; W87-R116 WeakPolarHBondContact CB-O 3.38Å; W87-A117 HydrophobicContact CB-CB 4.22Å; W87-A117 HydrophobicContact CG-CB 4.37Å
88D97.2Very high97.6Very high84 Ų8444.7 Ų44.745%0.44923%0.231SC..Hα-helixtrans-61.3-40.5179.354.7-36.8000112.2P86 D90 G91 R116P86-D88 PolarHBondContact O-N 2.86Å; D88-D90 PolarHBondContact O-N 3.39Å; D88-G91 PolarHBondContact O-N 3.3Å; D88-G91 VanDerWaalsContact O-N 3.09Å; D88-R116 WeakPolarHBondContact CA-O 3.44Å; D88-R116 PolarHBondContact N-O 3.45Å
89K97Very high97.7Very high172 Ų17243.6 Ų43.675%0.74822%0.222SC*.Hα-helixtrans-65.7-27.4178.6-62.4-169.8-177.1176.20112.6P86 W87P86-K89 HydrophobicContact CB-CB 4.28Å; P86-K89 HydrophobicContact CB-CD 3.96Å; P86-K89 HydrophobicContact CB-CG 4.09Å; P86-K89 PolarHBondContact O-N 3.21Å; P86-K89 VanDerWaalsContact O-N 3.1Å; W87-K89 VanDerWaalsContact C-N 3.34Å; W87-K89 PolarHBondContact O-N 2.84Å
90D97.1Very high97.6Very high32 Ų3242.2 Ų42.217%0.17123%0.229CC..Hα-helixtrans-93.3-6.4176.4-61.8-36.5000113.1V31 S32 S75 H77 W87 D88 A92V31-D90 WeakPolarHBondContact CG2-O 3.5Å; S32-D90 VanDerWaalsContact CB-OD2 3.28Å; S32-D90 WeakPolarHBondContact CB-OD2 3.34Å; S32-D90 PolarHBondContact OG-OD2 3.49Å; S75-D90 WeakPolarHBondContact CB-OD1 3.4Å; S75-D90 VanDerWaalsContact CB-OD2 3.25Å; S75-D90 WeakPolarHBondContact CB-OD2 3.49Å; S75-D90 VanDerWaalsContact OG-CG 3.26Å; S75-D90 PolarHBondContact OG-OD1 2.76Å; H77-D90 IonicContact CD2-OD2 3.27Å; H77-D90 IonicContact CE1-OD2 3.63Å; H77-D90 IonicContact NE2-OD2 2.8Å; H77-D90 PolarHBondContact NE2-OD2 2.95Å; W87-D90 CarbonylContact O-C 3.59Å; W87-D90 PolarHBondContact O-N 3.44Å; D88-D90 PolarHBondContact O-N 3.39Å; D90-A92 VanDerWaalsContact C-N 3.31Å
91G96.8Very high97.5Very high34 Ų3437.3 Ų37.335%0.35122%0.219SC..THydrogen-bonded Turntrans71.619.9-174.300000114.1K5 W87 D88 E93K5-G91 WeakPolarHBondContact CB-O 3.11Å; W87-G91 PolarHBondContact O-N 3.27Å; D88-G91 PolarHBondContact O-N 3.3Å; D88-G91 VanDerWaalsContact O-N 3.09Å; G91-E93 PolarHBondContact O-N 3.07Å
92A98.3Very high97.6Very high3 Ų335.7 Ų35.73%0.02521%0.209CC..  trans-74.1118.7175.700000110.6V31 W87 D90V31-A92 HydrophobicContact CG2-CB 3.8Å; W87-A92 HydrophobicContact CB-CB 4.08Å; W87-A92 HydrophobicContact CD2-CB 4.46Å; W87-A92 HydrophobicContact CE3-CB 3.96Å; W87-A92 PolarHBondContact O-N 3.17Å; D90-A92 VanDerWaalsContact C-N 3.31Å
93E98.1Very high97.6Very high52 Ų5237.3 Ų37.324%0.24322%0.219CC..  trans-104.7-36-176.9-60.7-170.316400112.7K5 G91 K118 K119K5-E93 HydrophobicContact CB-CG 4.48Å; K5-E93 PolarHBondContact O-N 2.91Å; G91-E93 PolarHBondContact O-N 3.07Å; E93-K118 HydrophobicContact CB-CB 4.49Å; E93-K118 HydrophobicContact CB-CD 4.12Å; E93-K118 HydrophobicContact CB-CG 4.24Å; E93-K118 VanDerWaalsContact CD-CE 3.45Å; E93-K118 HydrophobicContact CG-CD 4.24Å; E93-K118 WeakPolarHBondContact O-CA 3.49Å; E93-K118 PolarHBondContact O-N 3.47Å; E93-K118 WeakPolarHBondContact OE1-CE 3.18Å; E93-K118 IonicContact OE1-NZ 3.59Å; E93-K118 PolarHBondContact OE1-NZ 3.15Å; E93-K118 IonicContact OE2-NZ 2.79Å; E93-K118 PolarHBondContact OE2-NZ 3.41Å; E93-K119 PolarHBondContact O-N 2.96Å
94Y98.7Very high97.7Very high1 Ų138.3 Ų38.30%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-110.8119178.7-62.3-100.9000108.8A4 K5 V6 G7 K119 I121 I329 M332 H333 D336A4-Y94 HydrophobicContact CB-CD2 3.88Å; A4-Y94 HydrophobicContact CB-CE2 4.06Å; K5-Y94 PolarHBondContact O-N 2.72Å; V6-Y94 CarbonylContact C-O 3.51Å; V6-Y94 VanDerWaalsContact CA-O 3.24Å; V6-Y94 WeakPolarHBondContact CA-O 3.29Å; G7-Y94 PolarHBondContact N-O 2.81Å; Y94-K119 WeakPolarHBondContact CA-O 3.33Å; Y94-K119 HydrophobicContact CD1-CB 3.58Å; Y94-K119 HydrophobicContact CD1-CG 3.84Å; Y94-K119 HydrophobicContact CE1-CB 3.91Å; Y94-K119 HydrophobicContact CE1-CG 3.59Å; Y94-K119 HydrophobicContact CG-CB 4.31Å; Y94-I121 HydrophobicContact CD1-CD1 4.24Å; Y94-I329 HydrophobicContact CD1-CG2 4.22Å; Y94-I329 HydrophobicContact CG-CG2 4Å; Y94-M332 HydrophobicContact CD1-CE 4.41Å; Y94-M332 HydrophobicContact CE1-CB 4.01Å; Y94-M332 HydrophobicContact CE1-CE 4.43Å; Y94-H333 HydrophobicContact CE1-CB 4.45Å; Y94-H333 HydrophobicContact CE2-CB 4.18Å; Y94-H333 AromaticContact CE2-ND1 3.51Å; Y94-H333 AromaticContact CZ-ND1 3.78Å; Y94-H333 VanDerWaalsContact OH-CA 3.27Å; Y94-H333 WeakPolarHBondContact OH-CA 3.44Å; Y94-H333 PolarHBondContact OH-ND1 2.92Å; Y94-D336 PolarHBondContact OH-OD2 2.95Å; Y94-D336 VanDerWaalsContact OH-OD2 3.08Å
95V98.8Very high97.8Very high0 Ų036.5 Ų36.50%021%0.213CC..EExtended strand (participates in β ladder)trans-102.2126.4-178.3179.80000109.8G7 W87 H111 A117 K119 V120 I121G7-V95 CarbonylContact O-C 3.59Å; G7-V95 WeakPolarHBondContact O-CA 3.45Å; W87-V95 HydrophobicContact CD2-CG2 4.1Å; W87-V95 HydrophobicContact CG-CG2 4.1Å; W87-V95 HydrophobicContact CZ2-CG1 3.87Å; W87-V95 HydrophobicContact CZ2-CG2 4.4Å; V95-H111 HydrophobicContact CG1-CB 4.41Å; V95-H111 HydrophobicContact CG2-CB 4.36Å; V95-A117 HydrophobicContact CG2-CB 3.61Å; V95-K119 PolarHBondContact N-O 2.9Å; V95-V120 HydrophobicContact CB-CG2 4.49Å; V95-V120 CarbonylContact O-C 3.59Å; V95-V120 WeakPolarHBondContact O-CA 3.34Å; V95-I121 PolarHBondContact O-N 3.23Å
96V98.9Very high97.8Very high0 Ų042.6 Ų42.60%025%0.245CC..EExtended strand (participates in β ladder)trans-86.5111.4167177.90000107.9V6 G7 I8 N9 V18 S98 V325 I329V6-V96 HydrophobicContact CG1-CG2 3.99Å; G7-V96 PolarHBondContact O-N 2.79Å; I8-V96 HydrophobicContact CG1-CB 4.38Å; N9-V96 PolarHBondContact N-O 2.92Å; V18-V96 HydrophobicContact CG1-CG2 4.15Å; V18-V96 HydrophobicContact CG2-CG1 4.46Å; V96-S98 PolarHBondContact O-N 3.44Å; V96-V325 HydrophobicContact CG1-CG1 3.97Å; V96-V325 HydrophobicContact CG2-CG1 3.67Å; V96-I329 HydrophobicContact CG2-CD1 3.57Å
97E98.8Very high97.8Very high2 Ų246.3 Ų46.31%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-9097.2175.1169.941.6-114.400108.9N9 T99 F102 H111 V120 I121 S123N9-E97 PolarHBondContact ND2-OE2 3.23Å; E97-T99 WeakPolarHBondContact OE1-CA 3.41Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.42Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.38Å; E97-T99 PolarHBondContact OE1-N 3.28Å; E97-T99 PolarHBondContact OE1-OG1 3.37Å; E97-F102 HydrophobicContact CG-CB 4.01Å; E97-F102 WeakPolarHBondContact OE2-CD2 3.05Å; E97-H111 IonicContact OE2-CE1 3.9Å; E97-H111 IonicContact OE2-NE2 2.84Å; E97-H111 PolarHBondContact OE2-NE2 3Å; E97-H111 VanDerWaalsContact OE2-NE2 3.08Å; E97-V120 HydrophobicContact CB-CG1 3.82Å; E97-I121 PolarHBondContact N-O 3.32Å; E97-S123 WeakPolarHBondContact O-CB 3.44Å; E97-S123 PolarHBondContact O-N 2.98Å; E97-S123 PolarHBondContact O-OG 3.43Å
98S98.7Very high97.8Very high16 Ų1646.3 Ų46.311%0.11226%0.26CS..  trans-121.221.4-174.751.70000114.7N9 G10 V96 S123N9-S98 CarbonylContact O-C 3.47Å; N9-S98 WeakPolarHBondContact O-CA 3.35Å; N9-S98 PolarHBondContact O-N 3.41Å; N9-S98 PolarHBondContact O-OG 3.41Å; G10-S98 PolarHBondContact O-OG 2.89Å; V96-S98 PolarHBondContact O-N 3.44Å; S98-S123 VanDerWaalsContact CA-OG 3.22Å; S98-S123 WeakPolarHBondContact CA-OG 3.16Å; S98-S123 WeakPolarHBondContact CB-OG 3.29Å
99T98Very high97.8Very high49 Ų4946.2 Ų46.230%0.30126%0.256SS..SBendtrans-77.1-26.9173.670.80000112.4N9 E97 V101 F102N9-T99 HydrophobicContact CB-CG2 4.31Å; N9-T99 VanDerWaalsContact ND2-CG2 3.31Å; N9-T99 WeakPolarHBondContact ND2-CG2 3.31Å; N9-T99 PolarHBondContact O-N 2.86Å; E97-T99 WeakPolarHBondContact OE1-CA 3.41Å; E97-T99 VanDerWaalsContact OE1-CB 3.23Å; E97-T99 WeakPolarHBondContact OE1-CB 3.42Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.38Å; E97-T99 PolarHBondContact OE1-N 3.28Å; E97-T99 PolarHBondContact OE1-OG1 3.37Å; T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 VanDerWaalsContact OG1-CG2 3.25Å; T99-V101 WeakPolarHBondContact OG1-CG2 3.34Å; T99-V101 PolarHBondContact OG1-N 3.06Å; T99-V101 VanDerWaalsContact OG1-N 3.14Å; T99-F102 HydrophobicContact CG2-CD2 4.29Å; T99-F102 HydrophobicContact CG2-CE2 4.35Å; T99-F102 WeakPolarHBondContact OG1-CD2 3.34Å
100G95.6Very high97.8Very high50 Ų5039 Ų3952%0.51523%0.229SC..SBendtrans79.33.3-173.700000114.9
101V96Very high97.9Very high85 Ų8537.5 Ų37.552%0.51522%0.221SC..SBendtrans-110.6-19.6-178.9-58.20000114.6T99 K107T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 VanDerWaalsContact OG1-CG2 3.25Å; T99-V101 WeakPolarHBondContact OG1-CG2 3.34Å; T99-V101 PolarHBondContact OG1-N 3.06Å; T99-V101 VanDerWaalsContact OG1-N 3.14Å; V101-K107 PolarHBondContact O-NZ 3.4Å
102F97.7Very high97.9Very high43 Ų4337.3 Ų37.319%0.18921%0.212CC..  trans-106.751.8-179.8-52.2-68.1000112.3P82 E97 T99 T104 K107P82-F102 HydrophobicContact CB-CE2 4.49Å; P82-F102 VanDerWaalsContact CD-CZ 3.45Å; P82-F102 HydrophobicContact CG-CD1 4.07Å; P82-F102 HydrophobicContact CG-CD2 4.27Å; P82-F102 HydrophobicContact CG-CE1 3.78Å; P82-F102 HydrophobicContact CG-CE2 4Å; P82-F102 HydrophobicContact CG-CG 4.32Å; P82-F102 HydrophobicContact CG-CZ 3.75Å; E97-F102 HydrophobicContact CG-CB 4.01Å; E97-F102 WeakPolarHBondContact OE2-CD2 3.05Å; T99-F102 HydrophobicContact CG2-CD2 4.29Å; T99-F102 HydrophobicContact CG2-CE2 4.35Å; T99-F102 WeakPolarHBondContact OG1-CD2 3.34Å; F102-T104 PolarHBondContact O-N 2.84Å; F102-K107 HydrophobicContact CB-CB 3.99Å; F102-K107 HydrophobicContact CD1-CB 4.07Å; F102-K107 HydrophobicContact CD1-CD 4.4Å
103T97.8Very high97.5Very high40 Ų4043 Ų4325%0.24524%0.236CC..  trans-9312.5-169.965.70000115.3I122 A124 S126T103-I122 HydrophobicContact CG2-CG2 4.12Å; T103-A124 HydrophobicContact CG2-CB 4.23Å; T103-S126 WeakPolarHBondContact O-CA 3.24Å; T103-S126 VanDerWaalsContact O-CB 3.31Å; T103-S126 WeakPolarHBondContact O-CB 3.13Å; T103-S126 PolarHBondContact O-OG 3.02Å
104T98.3Very high97Very high35 Ų3546.3 Ų46.322%0.21526%0.255CS..SBendtrans-113.3158.2173.660.50000110.2F102 D106 K107 A108 D128F102-T104 PolarHBondContact O-N 2.84Å; T104-D106 VanDerWaalsContact C-N 3.33Å; T104-D106 PolarHBondContact O-N 3.05Å; T104-K107 PolarHBondContact O-N 3.46Å; T104-K107 WeakPolarHBondContact OG1-CB 3.18Å; T104-K107 WeakPolarHBondContact OG1-CG 3.35Å; T104-K107 PolarHBondContact OG1-N 3.41Å; T104-A108 VanDerWaalsContact O-CB 3.28Å; T104-A108 WeakPolarHBondContact O-CB 3.45Å; T104-A108 PolarHBondContact O-N 2.79Å; T104-D128 VanDerWaalsContact CA-OD1 3.23Å; T104-D128 WeakPolarHBondContact CA-OD1 3.27Å
105I98Very high96.5Very high47 Ų4753.4 Ų53.424%0.24129%0.293CS..Hα-helixtrans-53.3-53.4176.7-68.1176.6000110.2K107 A108 Q109 D128 A129 V147I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 2.65Å; I105-A108 PolarHBondContact O-N 2.96Å; I105-Q109 VanDerWaalsContact CG2-CD 3.44Å; I105-Q109 HydrophobicContact CG2-CG 3.91Å; I105-Q109 VanDerWaalsContact CG2-NE2 3.33Å; I105-Q109 VanDerWaalsContact O-CB 3.32Å; I105-Q109 WeakPolarHBondContact O-CB 2.91Å; I105-Q109 WeakPolarHBondContact O-CG 3.4Å; I105-Q109 PolarHBondContact O-N 2.58Å; I105-D128 HydrophobicContact CD1-CB 4.3Å; I105-D128 WeakPolarHBondContact CD1-O 3.43Å; I105-D128 HydrophobicContact CG1-CB 4.42Å; I105-D128 PolarHBondContact N-OD1 3.44Å; I105-D128 PolarHBondContact N-OD2 2.66Å; I105-A129 HydrophobicContact CD1-CB 4.42Å; I105-A129 HydrophobicContact CG1-CB 3.79Å; I105-V147 HydrophobicContact CG1-CG1 4.46Å
106D97.5Very high96.1Very high127 Ų12756 Ų5668%0.67930%0.303SS*.Hα-helixtrans-52.1-45.2-178.6176.173.2000112.9T104T104-D106 VanDerWaalsContact C-N 3.33Å; T104-D106 PolarHBondContact O-N 3.05Å
107K98.2Very high96Very high101 Ų10156.4 Ų56.444%0.43931%0.306SS..Hα-helixtrans-73.4-45.7-179.6-74.2-177.8177.8-174.60112.7V101 F102 T104 I105 Q109 A110V101-K107 PolarHBondContact O-NZ 3.4Å; F102-K107 HydrophobicContact CB-CB 3.99Å; F102-K107 HydrophobicContact CD1-CB 4.07Å; F102-K107 HydrophobicContact CD1-CD 4.4Å; T104-K107 PolarHBondContact O-N 3.46Å; T104-K107 WeakPolarHBondContact OG1-CB 3.18Å; T104-K107 WeakPolarHBondContact OG1-CG 3.35Å; T104-K107 PolarHBondContact OG1-N 3.41Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 2.65Å; K107-Q109 VanDerWaalsContact C-N 3.29Å; K107-Q109 PolarHBondContact O-N 2.88Å; K107-A110 VanDerWaalsContact O-CB 3.25Å; K107-A110 WeakPolarHBondContact O-CB 3.46Å; K107-A110 PolarHBondContact O-N 3.15Å
108A98.4Very high96Very high0 Ų061.2 Ų61.20%033%0.327CS..Hα-helixtrans-68.5-29.9-17800000112.1T104 I105 A110 H111 V120 I122 V147T104-A108 VanDerWaalsContact O-CB 3.28Å; T104-A108 WeakPolarHBondContact O-CB 3.45Å; T104-A108 PolarHBondContact O-N 2.79Å; I105-A108 PolarHBondContact O-N 2.96Å; A108-A110 PolarHBondContact O-N 2.8Å; A108-A110 VanDerWaalsContact O-N 3.1Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-H111 VanDerWaalsContact O-N 3.15Å; A108-V120 HydrophobicContact CB-CG1 4.08Å; A108-I122 HydrophobicContact CB-CD1 4.06Å; A108-I122 HydrophobicContact CB-CG1 4.14Å; A108-V147 HydrophobicContact CB-CG1 3.66Å; A108-V147 HydrophobicContact CB-CG2 4.32Å
109Q97.1Very high96Very high81 Ų8161.2 Ų61.238%0.37933%0.325SS..G310 helixtrans-61.3-16.8176.2-80.3-179.4-20.600113.4I105 K107 H111 I112 K113 V147I105-Q109 VanDerWaalsContact CG2-CD 3.44Å; I105-Q109 HydrophobicContact CG2-CG 3.91Å; I105-Q109 VanDerWaalsContact CG2-NE2 3.33Å; I105-Q109 VanDerWaalsContact O-CB 3.32Å; I105-Q109 WeakPolarHBondContact O-CB 2.91Å; I105-Q109 WeakPolarHBondContact O-CG 3.4Å; I105-Q109 PolarHBondContact O-N 2.58Å; K107-Q109 VanDerWaalsContact C-N 3.29Å; K107-Q109 PolarHBondContact O-N 2.88Å; Q109-H111 PolarHBondContact O-N 2.79Å; Q109-H111 VanDerWaalsContact O-N 3.17Å; Q109-I112 HydrophobicContact CB-CD1 4.47Å; Q109-I112 HydrophobicContact CB-CG1 4.33Å; Q109-I112 HydrophobicContact CG-CD1 4.08Å; Q109-I112 HydrophobicContact CG-CG1 4.47Å; Q109-I112 WeakPolarHBondContact O-CG1 3.45Å; Q109-I112 PolarHBondContact O-N 2.93Å; Q109-I112 VanDerWaalsContact O-N 3.07Å; Q109-K113 PolarHBondContact O-N 3.05Å; Q109-V147 HydrophobicContact CG-CG2 3.64Å
110A97.8Very high96Very high21 Ų2158.9 Ų58.917%0.17431%0.31CS..G310 helixtrans-54.5-32.5172.300000113P82 A83 K107 A108 I112 K113P82-A110 HydrophobicContact CB-CB 4.01Å; P82-A110 HydrophobicContact CG-CB 3.64Å; A83-A110 WeakPolarHBondContact CA-O 3.26Å; A83-A110 HydrophobicContact CB-CB 4.28Å; K107-A110 VanDerWaalsContact O-CB 3.25Å; K107-A110 WeakPolarHBondContact O-CB 3.46Å; K107-A110 PolarHBondContact O-N 3.15Å; A108-A110 PolarHBondContact O-N 2.8Å; A108-A110 VanDerWaalsContact O-N 3.1Å; A110-I112 PolarHBondContact O-N 2.95Å; A110-K113 WeakPolarHBondContact O-CB 3.5Å; A110-K113 PolarHBondContact O-N 2.87Å
111H98.3Very high96.2Very high0 Ų056.5 Ų56.50%029%0.286CS..G310 helixtrans-69.7-28.4177.9-68.5-54.2000114.7N9 P82 W87 V95 E97 A108 Q109 A117 V120N9-H111 PolarHBondContact ND2-CE1 3.27Å; N9-H111 PolarHBondContact ND2-NE2 2.71Å; P82-H111 WeakPolarHBondContact CB-CE1 2.96Å; P82-H111 WeakPolarHBondContact CB-ND1 3.21Å; P82-H111 PolarHBondContact O-ND1 3.42Å; W87-H111 AromaticContact CE2-ND1 3.97Å; W87-H111 AromaticContact NE1-CG 3.78Å; W87-H111 AromaticContact NE1-ND1 3.19Å; W87-H111 PolarHBondContact NE1-ND1 3.43Å; W87-H111 VanDerWaalsContact NE1-ND1 3.19Å; V95-H111 HydrophobicContact CG1-CB 4.41Å; V95-H111 HydrophobicContact CG2-CB 4.36Å; E97-H111 IonicContact OE2-CE1 3.9Å; E97-H111 IonicContact OE2-NE2 2.84Å; E97-H111 PolarHBondContact OE2-NE2 3Å; E97-H111 VanDerWaalsContact OE2-NE2 3.08Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-H111 VanDerWaalsContact O-N 3.15Å; Q109-H111 PolarHBondContact O-N 2.79Å; Q109-H111 VanDerWaalsContact O-N 3.17Å; H111-A117 PolarHBondContact O-N 3.15Å; H111-V120 HydrophobicContact CB-CG2 3.92Å
112I96.4Very high96.3Very high31 Ų3152.4 Ų52.416%0.15926%0.261CS..THydrogen-bonded Turntrans-97.1-5.3-178.863.8173000112Q109 A110 N114 N115 A117 V120Q109-I112 HydrophobicContact CB-CD1 4.47Å; Q109-I112 HydrophobicContact CB-CG1 4.33Å; Q109-I112 HydrophobicContact CG-CD1 4.08Å; Q109-I112 HydrophobicContact CG-CG1 4.47Å; Q109-I112 WeakPolarHBondContact O-CG1 3.45Å; Q109-I112 PolarHBondContact O-N 2.93Å; Q109-I112 VanDerWaalsContact O-N 3.07Å; A110-I112 PolarHBondContact O-N 2.95Å; I112-N114 PolarHBondContact O-N 2.9Å; I112-N115 PolarHBondContact O-N 3.19Å; I112-A117 WeakPolarHBondContact CB-O 3.39Å; I112-A117 HydrophobicContact CG2-CB 4.18Å; I112-A117 WeakPolarHBondContact CG2-O 3.49Å; I112-V120 HydrophobicContact CG2-CG2 3.73Å
113K89.7Confident96.4Very high123 Ų12351 Ų5154%0.53526%0.257SS..G310 helixtrans-54138.1177.2-169.6176.9-179.2179.20110Q109 A110 N115 R116Q109-K113 PolarHBondContact O-N 3.05Å; A110-K113 WeakPolarHBondContact O-CB 3.5Å; A110-K113 PolarHBondContact O-N 2.87Å; K113-N115 PolarHBondContact O-N 3.21Å; K113-R116 WeakPolarHBondContact O-CG 3.42Å; K113-R116 PolarHBondContact O-N 3.42Å
114N88.2Confident96.3Very high120 Ų12050.4 Ų50.464%0.64226%0.256SS*.G310 helixtrans57.230.7-176.7-53.6-33.7000113.9I112 R116I112-N114 PolarHBondContact O-N 2.9Å; N114-R116 PolarHBondContact O-N 2.91Å
115N87.7Confident96.2Very high151 Ų15151.5 Ų51.581%0.80726%0.264SS*.G310 helixtrans58.529.6179.7-59.7-36.2000114.3I112 K113I112-N115 PolarHBondContact O-N 3.19Å; K113-N115 PolarHBondContact O-N 3.21Å
116R91.2Very high96.2Very high55 Ų5549.6 Ų49.621%0.20826%0.255CS..SBendtrans-68.8-34.7179.8-71.9-179.4-179.5-150.910113.1A83 N84 I85 W87 D88 K113 N114A83-R116 PolarHBondContact O-NH1 3.45Å; A83-R116 PolarHBondContact O-NH2 3.16Å; N84-R116 PolarHBondContact O-NH1 3.46Å; I85-R116 WeakPolarHBondContact O-CD 3.3Å; I85-R116 PolarHBondContact O-NH1 3.17Å; W87-R116 CarbonylContact C-O 3.51Å; W87-R116 HydrophobicContact CB-CB 4.43Å; W87-R116 VanDerWaalsContact CB-O 3.24Å; W87-R116 WeakPolarHBondContact CB-O 3.38Å; D88-R116 WeakPolarHBondContact CA-O 3.44Å; D88-R116 PolarHBondContact N-O 3.45Å; K113-R116 WeakPolarHBondContact O-CG 3.42Å; K113-R116 PolarHBondContact O-N 3.42Å; N114-R116 PolarHBondContact O-N 2.91Å
117A97.5Very high96Very high8 Ų847.7 Ų47.77%0.06626%0.256CS..  trans-137.9169.7171.700000109.3W87 V95 H111 I112W87-A117 HydrophobicContact CB-CB 4.22Å; W87-A117 HydrophobicContact CG-CB 4.37Å; V95-A117 HydrophobicContact CG2-CB 3.61Å; H111-A117 PolarHBondContact O-N 3.15Å; I112-A117 WeakPolarHBondContact CB-O 3.39Å; I112-A117 HydrophobicContact CG2-CB 4.18Å; I112-A117 WeakPolarHBondContact CG2-O 3.49Å
118K97.6Very high96Very high103 Ų10346.8 Ų46.845%0.44826%0.256SS..SBendtrans-99.2-42.8-179.6-61.3-176.5-173.3164.30112.5E93E93-K118 HydrophobicContact CB-CB 4.49Å; E93-K118 HydrophobicContact CB-CD 4.12Å; E93-K118 HydrophobicContact CB-CG 4.24Å; E93-K118 VanDerWaalsContact CD-CE 3.45Å; E93-K118 HydrophobicContact CG-CD 4.24Å; E93-K118 WeakPolarHBondContact O-CA 3.49Å; E93-K118 PolarHBondContact O-N 3.47Å; E93-K118 WeakPolarHBondContact OE1-CE 3.18Å; E93-K118 IonicContact OE1-NZ 3.59Å; E93-K118 PolarHBondContact OE1-NZ 3.15Å; E93-K118 IonicContact OE2-NZ 2.79Å; E93-K118 PolarHBondContact OE2-NZ 3.41Å
119K98.5Very high96Very high15 Ų1547 Ų477%0.06526%0.258CS..EExtended strand (participates in β ladder)trans-136.7150-171.2-59.1-64.4-175.7168.10111.6E93 Y94 V95 Y141 K143 M145 S146 M332 D336E93-K119 PolarHBondContact O-N 2.96Å; Y94-K119 WeakPolarHBondContact CA-O 3.33Å; Y94-K119 HydrophobicContact CD1-CB 3.58Å; Y94-K119 HydrophobicContact CD1-CG 3.84Å; Y94-K119 HydrophobicContact CE1-CB 3.91Å; Y94-K119 HydrophobicContact CE1-CG 3.59Å; Y94-K119 HydrophobicContact CG-CB 4.31Å; V95-K119 PolarHBondContact N-O 2.9Å; K119-Y141 WeakPolarHBondContact CE-OH 3.39Å; K119-Y141 PolarHBondContact NZ-OH 3.26Å; K119-K143 PolarHBondContact NZ-O 3.2Å; K119-M145 WeakPolarHBondContact CD-O 3.43Å; K119-M145 PolarHBondContact NZ-O 3.4Å; K119-S146 CarbonylContact C-O 3.55Å; K119-S146 VanDerWaalsContact CA-O 3.3Å; K119-S146 WeakPolarHBondContact CA-O 3.4Å; K119-M332 HydrophobicContact CB-CE 3.91Å; K119-M332 HydrophobicContact CD-CE 4.2Å; K119-M332 HydrophobicContact CG-CE 4.06Å; K119-D336 WeakPolarHBondContact CE-OD2 3.38Å; K119-D336 IonicContact NZ-OD2 3.78Å
120V98.8Very high96Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-127132.1173.6-169.60000110.2V95 E97 A108 H111 I112 S146 V147 V148V95-V120 HydrophobicContact CB-CG2 4.49Å; V95-V120 CarbonylContact O-C 3.59Å; V95-V120 WeakPolarHBondContact O-CA 3.34Å; E97-V120 HydrophobicContact CB-CG1 3.82Å; A108-V120 HydrophobicContact CB-CG1 4.08Å; H111-V120 HydrophobicContact CB-CG2 3.92Å; I112-V120 HydrophobicContact CG2-CG2 3.73Å; V120-S146 PolarHBondContact N-O 2.95Å; V120-V147 HydrophobicContact CB-CG1 4.4Å; V120-V147 HydrophobicContact CB-CG2 4.17Å; V120-V147 HydrophobicContact CG2-CG2 4.29Å; V120-V147 WeakPolarHBondContact O-CA 3.49Å; V120-V148 PolarHBondContact O-N 2.98Å
121I98.8Very high96.1Very high0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-114.2104.7175.7-56.281.3000107.1Y94 V95 E97 S123 V148 N150 V325 L328 I329 M332Y94-I121 HydrophobicContact CD1-CD1 4.24Å; V95-I121 PolarHBondContact O-N 3.23Å; E97-I121 PolarHBondContact N-O 3.32Å; I121-S123 PolarHBondContact O-N 3.06Å; I121-V148 WeakPolarHBondContact CA-O 3.45Å; I121-V148 HydrophobicContact CB-CG2 4.49Å; I121-V148 HydrophobicContact CG1-CG2 4.06Å; I121-N150 HydrophobicContact CG2-CB 4.19Å; I121-V325 HydrophobicContact CG2-CG1 4.44Å; I121-L328 HydrophobicContact CG2-CD2 3.93Å; I121-I329 HydrophobicContact CD1-CD1 4.3Å; I121-I329 HydrophobicContact CD1-CG1 3.67Å; I121-I329 HydrophobicContact CG1-CG1 3.92Å; I121-M332 HydrophobicContact CD1-CE 4.3Å; I121-M332 HydrophobicContact CD1-SD 4.26Å; I121-M332 HydrophobicContact CG1-CE 4.3Å; I121-M332 HydrophobicContact CG1-SD 3.83Å
122I98.9Very high96.1Very high0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-71.8121.7175.5-57.8168.5000108T103 A108 A124 A129 V147 V148 S149 N150T103-I122 HydrophobicContact CG2-CG2 4.12Å; A108-I122 HydrophobicContact CB-CD1 4.06Å; A108-I122 HydrophobicContact CB-CG1 4.14Å; I122-A124 HydrophobicContact CG2-CB 4.39Å; I122-A124 WeakPolarHBondContact CG2-O 3.38Å; I122-A124 PolarHBondContact O-N 3.19Å; I122-A129 HydrophobicContact CD1-CB 4.04Å; I122-V147 HydrophobicContact CD1-CG1 3.71Å; I122-V147 HydrophobicContact CG1-CG1 4.13Å; I122-V148 PolarHBondContact N-O 2.91Å; I122-S149 WeakPolarHBondContact O-CA 3.39Å; I122-N150 PolarHBondContact O-N 3.49Å
123S98.7Very high96.2Very high14 Ų1443.7 Ų43.710%0.09824%0.242CC..SBendtrans-83.432.5-179.790.50000112.8E97 S98 I121 Y321E97-S123 WeakPolarHBondContact O-CB 3.44Å; E97-S123 PolarHBondContact O-N 2.98Å; E97-S123 PolarHBondContact O-OG 3.43Å; S98-S123 VanDerWaalsContact CA-OG 3.22Å; S98-S123 WeakPolarHBondContact CA-OG 3.16Å; S98-S123 WeakPolarHBondContact CB-OG 3.29Å; I121-S123 PolarHBondContact O-N 3.06Å; S123-Y321 VanDerWaalsContact CA-OH 3.26Å; S123-Y321 WeakPolarHBondContact CA-OH 3.36Å; S123-Y321 WeakPolarHBondContact O-CE1 3.18Å; S123-Y321 PolarHBondContact O-OH 3.03Å
124A97.4Very high96.6Very high26 Ų2638.6 Ų38.622%0.21522%0.221CC..SBendtrans-156.6165.5175.900000109.7T103 I122 S126 S149 A151 Y321T103-A124 HydrophobicContact CG2-CB 4.23Å; I122-A124 HydrophobicContact CG2-CB 4.39Å; I122-A124 WeakPolarHBondContact CG2-O 3.38Å; I122-A124 PolarHBondContact O-N 3.19Å; A124-S126 PolarHBondContact O-N 3.09Å; A124-S149 PolarHBondContact O-OG 3Å; A124-A151 CarbonylContact C-O 3.53Å; A124-A151 VanDerWaalsContact CA-O 3.3Å; A124-A151 WeakPolarHBondContact CA-O 3.31Å; A124-Y321 PolarHBondContact N-OH 3.28Å
125P95.6Very high97.1Very high59 Ų5933.6 Ų33.638%0.38320%0.199SC..  trans-56.8137.3171.3-24.935.1000111.4M131 A151P125-M131 HydrophobicContact CB-SD 4.12Å; P125-A151 VanDerWaalsContact CD-O 3.3Å; P125-A151 WeakPolarHBondContact CD-O 2.97Å; P125-A151 VanDerWaalsContact N-O 3.12Å
126S97Very high97.6Very high7 Ų727.5 Ų27.55%0.04917%0.167CC..  trans-105.2148.5173.2-173.20000111.4T103 A124 D128 A129T103-S126 WeakPolarHBondContact O-CA 3.24Å; T103-S126 VanDerWaalsContact O-CB 3.31Å; T103-S126 WeakPolarHBondContact O-CB 3.13Å; T103-S126 PolarHBondContact O-OG 3.02Å; A124-S126 PolarHBondContact O-N 3.09Å; S126-D128 PolarHBondContact OG-N 3.24Å; S126-D128 PolarHBondContact OG-OD1 3.21Å; S126-A129 VanDerWaalsContact OG-CB 3.31Å; S126-A129 WeakPolarHBondContact OG-CB 3.49Å; S126-A129 PolarHBondContact OG-N 2.79Å
127A94.9Very high98Very high86 Ų8625.9 Ų25.971%0.71116%0.162SC*.SBendtrans-71.5-35174.200000111.5
128D97.2Very high98Very high82 Ų8226.8 Ų26.844%0.43917%0.165SC..SBendtrans-128.3-24-167.655.9-5.3000114T104 I105 S126T104-D128 VanDerWaalsContact CA-OD1 3.23Å; T104-D128 WeakPolarHBondContact CA-OD1 3.27Å; I105-D128 HydrophobicContact CD1-CB 4.3Å; I105-D128 WeakPolarHBondContact CD1-O 3.43Å; I105-D128 HydrophobicContact CG1-CB 4.42Å; I105-D128 PolarHBondContact N-OD1 3.44Å; I105-D128 PolarHBondContact N-OD2 2.66Å; S126-D128 PolarHBondContact OG-N 3.24Å; S126-D128 PolarHBondContact OG-OD1 3.21Å
129A98.1Very high98Very high5 Ų528.3 Ų28.34%0.04118%0.178CC..SBendtrans-75.6142.1176.300000112.5I105 I122 S126 M131 V147I105-A129 HydrophobicContact CD1-CB 4.42Å; I105-A129 HydrophobicContact CG1-CB 3.79Å; I122-A129 HydrophobicContact CD1-CB 4.04Å; S126-A129 VanDerWaalsContact OG-CB 3.31Å; S126-A129 WeakPolarHBondContact OG-CB 3.49Å; S126-A129 PolarHBondContact OG-N 2.79Å; A129-M131 PolarHBondContact O-N 3.14Å; A129-V147 HydrophobicContact CB-CG1 4.22Å
130P98.1Very high98Very high45 Ų4530.5 Ų30.529%0.29220%0.195SC..  trans-60.2137.217326.4-34.5000110.5F132 M145 V148 S149P130-F132 HydrophobicContact CB-CE2 4.01Å; P130-F132 HydrophobicContact CB-CZ 4.17Å; P130-F132 HydrophobicContact CG-CE2 4.22Å; P130-M145 HydrophobicContact CB-SD 4.25Å; P130-M145 HydrophobicContact CG-CG 4.49Å; P130-M145 HydrophobicContact CG-SD 3.9Å; P130-V148 HydrophobicContact CG-CG1 4.18Å; P130-S149 PolarHBondContact O-N 3.45Å
131M98.5Very high98Very high15 Ų1531 Ų317%0.07420%0.197CC..BIsolated β-bridgetrans-105.2137.3-178.2-75.8-173.3-70.300111.1P125 A129 N137 S149 A151 A217 K220 V221P125-M131 HydrophobicContact CB-SD 4.12Å; A129-M131 PolarHBondContact O-N 3.14Å; M131-N137 PolarHBondContact O-ND2 2.81Å; M131-S149 CarbonylContact C-O 3.55Å; M131-S149 WeakPolarHBondContact CA-O 3.48Å; M131-S149 WeakPolarHBondContact CG-OG 3.23Å; M131-A151 HydrophobicContact CB-CB 4.34Å; M131-A151 HydrophobicContact CG-CB 4.41Å; M131-A151 HydrophobicContact SD-CB 4Å; M131-A217 HydrophobicContact CE-CB 3.94Å; M131-A217 HydrophobicContact SD-CB 4.48Å; M131-K220 HydrophobicContact CE-CB 4.25Å; M131-K220 HydrophobicContact CE-CD 3.29Å; M131-K220 HydrophobicContact CE-CG 4.37Å; M131-V221 HydrophobicContact CB-CG1 4.17Å; M131-V221 WeakPolarHBondContact O-CG1 3.48Å
132F98.8Very high97.9Very high4 Ų436.6 Ų36.62%0.01822%0.223CC..  trans-124.4140.8176.6-60.9-76.1000110.8P130 N137 S140 Y141 M145 V148 S149 N150 L328P130-F132 HydrophobicContact CB-CE2 4.01Å; P130-F132 HydrophobicContact CB-CZ 4.17Å; P130-F132 HydrophobicContact CG-CE2 4.22Å; F132-N137 WeakPolarHBondContact CA-OD1 3.28Å; F132-N137 WeakPolarHBondContact CD1-O 3.37Å; F132-S140 WeakPolarHBondContact CE1-OG 3.5Å; F132-Y141 HydrophobicContact CE2-CD2 4.23Å; F132-Y141 HydrophobicContact CZ-CD2 4.34Å; F132-M145 HydrophobicContact CE2-SD 4.05Å; F132-M145 HydrophobicContact CZ-CE 4.45Å; F132-M145 HydrophobicContact CZ-SD 3.59Å; F132-M145 VanDerWaalsContact CZ-SD 3.59Å; F132-V148 HydrophobicContact CD2-CB 3.94Å; F132-V148 HydrophobicContact CD2-CG1 4.23Å; F132-V148 HydrophobicContact CD2-CG2 4.46Å; F132-V148 HydrophobicContact CE2-CB 3.89Å; F132-V148 HydrophobicContact CE2-CG1 3.71Å; F132-S149 PolarHBondContact N-O 3.28Å; F132-N150 CarbonylContact O-C 3.55Å; F132-L328 HydrophobicContact CB-CD1 3.8Å; F132-L328 HydrophobicContact CB-CD2 4.21Å; F132-L328 HydrophobicContact CG-CD1 4.33Å
133V98.9Very high97.8Very high0 Ų041.6 Ų41.60%025%0.245CC..  trans-124.2118.7168.1174.20000106.9V136 N137 A151 T155 A159 P160 V221V133-V136 HydrophobicContact CB-CB 4.07Å; V133-V136 HydrophobicContact CB-CG2 4.18Å; V133-V136 HydrophobicContact CG1-CB 4.11Å; V133-V136 HydrophobicContact CG1-CG2 3.66Å; V133-V136 WeakPolarHBondContact O-CB 3.34Å; V133-V136 PolarHBondContact O-N 2.97Å; V133-N137 PolarHBondContact N-OD1 3.17Å; V133-N137 PolarHBondContact O-N 2.91Å; V133-N137 VanDerWaalsContact O-N 3.14Å; V133-N137 PolarHBondContact O-OD1 2.69Å; V133-A151 HydrophobicContact CG2-CB 4.14Å; V133-T155 HydrophobicContact CG2-CG2 4.1Å; V133-A159 HydrophobicContact CG1-CB 4.29Å; V133-A159 HydrophobicContact CG2-CB 4.44Å; V133-P160 HydrophobicContact CG1-CG 4.37Å; V133-V221 HydrophobicContact CG2-CG1 4.22Å; V133-V221 HydrophobicContact CG2-CG2 4.33Å
134V98.7Very high97.8Very high15 Ų1545.3 Ų45.39%0.09127%0.271CS..THydrogen-bonded Turntrans-63.8135.1178.9-176.20000109.8V136 E138 I274 D327 L328V134-V136 VanDerWaalsContact C-N 3.34Å; V134-E138 WeakPolarHBondContact CA-OE2 3.14Å; V134-I274 HydrophobicContact CB-CD1 4.33Å; V134-I274 HydrophobicContact CG1-CD1 3.93Å; V134-I274 WeakPolarHBondContact O-CG2 3.29Å; V134-D327 HydrophobicContact CG1-CB 4.21Å; V134-D327 HydrophobicContact CG2-CB 4.05Å; V134-L328 HydrophobicContact CG2-CB 4.08Å
135G98.4Very high97.8Very high16 Ų1646.1 Ų46.117%0.16527%0.271CS..THydrogen-bonded Turntrans86.7-4.5-169.400000114.1E138 L271G135-E138 WeakPolarHBondContact CA-OE1 3.24Å; G135-E138 PolarHBondContact N-OE1 2.86Å; G135-E138 PolarHBondContact N-OE2 2.83Å; G135-L271 WeakPolarHBondContact O-CD2 3.28Å
136V98.7Very high97.9Very high23 Ų2345 Ų4514%0.13927%0.265CS..THydrogen-bonded Turntrans-122.4-60.4-174.2-178.50000111.3V133 V134 E138 A159 P160 K163 V221 I222V133-V136 HydrophobicContact CB-CB 4.07Å; V133-V136 HydrophobicContact CB-CG2 4.18Å; V133-V136 HydrophobicContact CG1-CB 4.11Å; V133-V136 HydrophobicContact CG1-CG2 3.66Å; V133-V136 WeakPolarHBondContact O-CB 3.34Å; V133-V136 PolarHBondContact O-N 2.97Å; V134-V136 VanDerWaalsContact C-N 3.34Å; V136-E138 PolarHBondContact N-OE2 2.81Å; V136-A159 HydrophobicContact CG1-CB 4.41Å; V136-A159 HydrophobicContact CG2-CB 4.08Å; V136-P160 HydrophobicContact CG2-CB 4.4Å; V136-P160 HydrophobicContact CG2-CG 3.95Å; V136-K163 HydrophobicContact CG1-CD 4.3Å; V136-V221 HydrophobicContact CG1-CG2 4.43Å; V136-I222 HydrophobicContact CG1-CD1 3.85Å; V136-I222 HydrophobicContact CG1-CG1 3.48Å; V136-I222 VanDerWaalsContact CG1-CG1 3.48Å
137N98.7Very high98Very high21 Ų2145 Ų4511%0.11226%0.264CS..THydrogen-bonded Turntrans-141.811-172.678.7-44.1000114.6M131 F132 V133 N139 S140 V221M131-N137 PolarHBondContact O-ND2 2.81Å; F132-N137 WeakPolarHBondContact CA-OD1 3.28Å; F132-N137 WeakPolarHBondContact CD1-O 3.37Å; V133-N137 PolarHBondContact N-OD1 3.17Å; V133-N137 PolarHBondContact O-N 2.91Å; V133-N137 VanDerWaalsContact O-N 3.14Å; V133-N137 PolarHBondContact O-OD1 2.69Å; N137-N139 PolarHBondContact O-N 2.87Å; N137-N139 VanDerWaalsContact O-N 3.11Å; N137-S140 WeakPolarHBondContact O-CB 3.31Å; N137-S140 PolarHBondContact O-N 2.96Å; N137-S140 PolarHBondContact O-OG 3.13Å; N137-V221 WeakPolarHBondContact CB-O 3.36Å
138E98.4Very high98.1Very high27 Ų2740.9 Ų40.913%0.12623%0.23CC..G310 helixtrans-54.3-32178.469.3-83.4-151.200112.6V134 G135 V136 S140 Y141 H331V134-E138 WeakPolarHBondContact CA-OE2 3.14Å; G135-E138 WeakPolarHBondContact CA-OE1 3.24Å; G135-E138 PolarHBondContact N-OE1 2.86Å; G135-E138 PolarHBondContact N-OE2 2.83Å; V136-E138 PolarHBondContact N-OE2 2.81Å; E138-S140 PolarHBondContact O-N 2.87Å; E138-Y141 WeakPolarHBondContact O-CB 3.36Å; E138-Y141 PolarHBondContact O-N 2.91Å; E138-H331 PolarHBondContact O-NE2 2.85Å; E138-H331 VanDerWaalsContact O-NE2 3.11Å
139N97.5Very high98.2Very high134 Ų13437 Ų3772%0.71721%0.209SC*.G310 helixtrans-66.4-9177.8-62-40.4000114.1N137 Y141 H331N137-N139 PolarHBondContact O-N 2.87Å; N137-N139 VanDerWaalsContact O-N 3.11Å; N139-Y141 VanDerWaalsContact C-N 3.32Å; N139-H331 PolarHBondContact OD1-CE1 3.39Å
140S97.8Very high98.2Very high62 Ų6236.7 Ų36.743%0.43421%0.207SC..G310 helixtrans-88.82.7171.564.20000113.3F132 N137 E138F132-S140 WeakPolarHBondContact CE1-OG 3.5Å; N137-S140 WeakPolarHBondContact O-CB 3.31Å; N137-S140 PolarHBondContact O-N 2.96Å; N137-S140 PolarHBondContact O-OG 3.13Å; E138-S140 PolarHBondContact O-N 2.87Å
141Y98.5Very high98.3Very high11 Ų1134.6 Ų34.64%0.04319%0.193CC..  trans-66.2133.6171.7169.5-103.4000111K119 F132 E138 N139 M145 V148 M332 V335 D336K119-Y141 WeakPolarHBondContact CE-OH 3.39Å; K119-Y141 PolarHBondContact NZ-OH 3.26Å; F132-Y141 HydrophobicContact CE2-CD2 4.23Å; F132-Y141 HydrophobicContact CZ-CD2 4.34Å; E138-Y141 WeakPolarHBondContact O-CB 3.36Å; E138-Y141 PolarHBondContact O-N 2.91Å; N139-Y141 VanDerWaalsContact C-N 3.32Å; Y141-M145 HydrophobicContact CD2-CB 4.33Å; Y141-M145 HydrophobicContact CD2-SD 4.38Å; Y141-M145 HydrophobicContact CE2-CB 4.03Å; Y141-V148 HydrophobicContact CD2-CG1 4.3Å; Y141-V148 HydrophobicContact CE2-CG1 4.24Å; Y141-M332 HydrophobicContact CD1-CB 4.42Å; Y141-M332 HydrophobicContact CD1-CG 4.1Å; Y141-M332 HydrophobicContact CD2-CG 3.99Å; Y141-M332 HydrophobicContact CE1-CB 3.91Å; Y141-M332 HydrophobicContact CE1-CG 3.94Å; Y141-M332 HydrophobicContact CE2-CB 4.46Å; Y141-M332 HydrophobicContact CE2-CE 3.72Å; Y141-M332 HydrophobicContact CE2-CG 3.82Å; Y141-M332 HydrophobicContact CE2-SD 4.38Å; Y141-M332 HydrophobicContact CG-CG 4.12Å; Y141-V335 HydrophobicContact CD1-CB 3.9Å; Y141-V335 HydrophobicContact CD1-CG1 3.85Å; Y141-V335 HydrophobicContact CD1-CG2 4.17Å; Y141-V335 HydrophobicContact CE1-CB 3.9Å; Y141-V335 HydrophobicContact CE1-CG1 3.86Å; Y141-D336 WeakPolarHBondContact CE1-OD1 3.45Å; Y141-D336 VanDerWaalsContact OH-CG 3.3Å; Y141-D336 PolarHBondContact OH-OD1 2.6Å; Y141-D336 PolarHBondContact OH-OD2 2.94Å; Y141-D336 VanDerWaalsContact OH-OD2 3.11Å
142E98Very high98.3Very high117 Ų11734.6 Ų34.655%0.54720%0.195SC..  trans-116.9144.1175.6-62.9175.8-144.700111.1S144 M145E142-S144 PolarHBondContact O-N 3.12Å; E142-M145 HydrophobicContact CB-CE 3.99Å; E142-M145 HydrophobicContact CB-CG 4.28Å; E142-M145 HydrophobicContact CB-SD 4.48Å; E142-M145 HydrophobicContact CG-CE 3.99Å; E142-M145 WeakPolarHBondContact O-CB 3.44Å; E142-M145 PolarHBondContact O-N 3.17Å
143K96.9Very high98.2Very high105 Ų10535.6 Ų35.646%0.45720%0.202SC..THydrogen-bonded Turntrans-54.8-24.3179-62.5-168.8-175.3-157.40113.6K119 M145 V335 D336 A338K119-K143 PolarHBondContact NZ-O 3.2Å; K143-M145 VanDerWaalsContact C-N 3.29Å; K143-M145 PolarHBondContact O-N 3.41Å; K143-V335 WeakPolarHBondContact CE-O 3.3Å; K143-V335 HydrophobicContact CG-CG1 4.04Å; K143-V335 PolarHBondContact NZ-O 3.22Å; K143-V335 VanDerWaalsContact NZ-O 3.15Å; K143-D336 PolarHBondContact NZ-O 3.19Å; K143-A338 PolarHBondContact NZ-O 3.11Å
144S97.2Very high98.2Very high92 Ų9235.9 Ų35.964%0.64320%0.204SC*.THydrogen-bonded Turntrans-69.8-22.9177.156.90000113.2E142 S146E142-S144 PolarHBondContact O-N 3.12Å; S144-S146 PolarHBondContact O-N 3.47Å
145M97.8Very high98.2Very high42 Ų4235.2 Ų35.221%0.20720%0.2CC..  trans-78.3105.5-176-58.8-179.9-174.200110.5K119 P130 F132 Y141 E142 K143 V148K119-M145 WeakPolarHBondContact CD-O 3.43Å; K119-M145 PolarHBondContact NZ-O 3.4Å; P130-M145 HydrophobicContact CB-SD 4.25Å; P130-M145 HydrophobicContact CG-CG 4.49Å; P130-M145 HydrophobicContact CG-SD 3.9Å; F132-M145 HydrophobicContact CE2-SD 4.05Å; F132-M145 HydrophobicContact CZ-CE 4.45Å; F132-M145 HydrophobicContact CZ-SD 3.59Å; F132-M145 VanDerWaalsContact CZ-SD 3.59Å; Y141-M145 HydrophobicContact CD2-CB 4.33Å; Y141-M145 HydrophobicContact CD2-SD 4.38Å; Y141-M145 HydrophobicContact CE2-CB 4.03Å; E142-M145 HydrophobicContact CB-CE 3.99Å; E142-M145 HydrophobicContact CB-CG 4.28Å; E142-M145 HydrophobicContact CB-SD 4.48Å; E142-M145 HydrophobicContact CG-CE 3.99Å; E142-M145 WeakPolarHBondContact O-CB 3.44Å; E142-M145 PolarHBondContact O-N 3.17Å; K143-M145 VanDerWaalsContact C-N 3.29Å; K143-M145 PolarHBondContact O-N 3.41Å; M145-V148 HydrophobicContact CB-CG1 3.94Å
146S97.6Very high98.3Very high37 Ų3734.5 Ų34.526%0.25919%0.192SC..  trans-87.9-31.5-178.256.20000113.9K119 V120 S144K119-S146 CarbonylContact C-O 3.55Å; K119-S146 VanDerWaalsContact CA-O 3.3Å; K119-S146 WeakPolarHBondContact CA-O 3.4Å; V120-S146 PolarHBondContact N-O 2.95Å; S144-S146 PolarHBondContact O-N 3.47Å
147V98.6Very high98.3Very high5 Ų533.4 Ų33.43%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-120.9123.1175.6-179.30000108.8I105 A108 Q109 V120 I122 A129I105-V147 HydrophobicContact CG1-CG1 4.46Å; A108-V147 HydrophobicContact CB-CG1 3.66Å; A108-V147 HydrophobicContact CB-CG2 4.32Å; Q109-V147 HydrophobicContact CG-CG2 3.64Å; V120-V147 HydrophobicContact CB-CG1 4.4Å; V120-V147 HydrophobicContact CB-CG2 4.17Å; V120-V147 HydrophobicContact CG2-CG2 4.29Å; V120-V147 WeakPolarHBondContact O-CA 3.49Å; I122-V147 HydrophobicContact CD1-CG1 3.71Å; I122-V147 HydrophobicContact CG1-CG1 4.13Å; A129-V147 HydrophobicContact CB-CG1 4.22Å
148V98.7Very high98.3Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-131.5167.8179.1-53.30000110.1V120 I121 I122 P130 F132 Y141 M145 L328 M332V120-V148 PolarHBondContact O-N 2.98Å; I121-V148 WeakPolarHBondContact CA-O 3.45Å; I121-V148 HydrophobicContact CB-CG2 4.49Å; I121-V148 HydrophobicContact CG1-CG2 4.06Å; I122-V148 PolarHBondContact N-O 2.91Å; P130-V148 HydrophobicContact CG-CG1 4.18Å; F132-V148 HydrophobicContact CD2-CB 3.94Å; F132-V148 HydrophobicContact CD2-CG1 4.23Å; F132-V148 HydrophobicContact CD2-CG2 4.46Å; F132-V148 HydrophobicContact CE2-CB 3.89Å; F132-V148 HydrophobicContact CE2-CG1 3.71Å; Y141-V148 HydrophobicContact CD2-CG1 4.3Å; Y141-V148 HydrophobicContact CE2-CG1 4.24Å; M145-V148 HydrophobicContact CB-CG1 3.94Å; V148-L328 HydrophobicContact CG2-CD2 4.38Å; V148-M332 HydrophobicContact CG1-CE 4.43Å; V148-M332 HydrophobicContact CG2-CE 3.83Å; V148-M332 HydrophobicContact CG2-SD 3.73Å
149S98.8Very high98.3Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-124.6140.3175.9162.10000110.6I122 A124 P130 M131 F132 A151I122-S149 WeakPolarHBondContact O-CA 3.39Å; A124-S149 PolarHBondContact O-OG 3Å; P130-S149 PolarHBondContact O-N 3.45Å; M131-S149 CarbonylContact C-O 3.55Å; M131-S149 WeakPolarHBondContact CA-O 3.48Å; M131-S149 WeakPolarHBondContact CG-OG 3.23Å; F132-S149 PolarHBondContact N-O 3.28Å; S149-A151 PolarHBondContact O-N 3.5Å; S149-A151 PolarHBondContact OG-N 2.73Å
150N98.8Very high98.4Very high0 Ų024.8 Ų24.80%014%0.14CC..  trans-84.220.1171.8-165.954.8000112.4I121 I122 F132 N156 Y321 V325 L328I121-N150 HydrophobicContact CG2-CB 4.19Å; I122-N150 PolarHBondContact O-N 3.49Å; F132-N150 CarbonylContact O-C 3.55Å; N150-N156 PolarHBondContact O-ND2 3.33Å; N150-Y321 HydrophobicContact CB-CE2 4.37Å; N150-Y321 VanDerWaalsContact ND2-CE2 3.31Å; N150-Y321 WeakPolarHBondContact ND2-CE2 3.28Å; N150-Y321 WeakPolarHBondContact O-CE2 3.23Å; N150-V325 HydrophobicContact CB-CG2 4.16Å; N150-V325 WeakPolarHBondContact ND2-CG2 3.3Å; N150-V325 PolarHBondContact ND2-N 2.86Å; N150-L328 HydrophobicContact CB-CD2 3.98Å
151A98.5Very high98.4Very high0 Ų021.8 Ų21.80%012%0.12CC..  trans56.9-140.9-174.400000113A124 P125 M131 V133 S149 T155 Y321A124-A151 CarbonylContact C-O 3.53Å; A124-A151 VanDerWaalsContact CA-O 3.3Å; A124-A151 WeakPolarHBondContact CA-O 3.31Å; P125-A151 VanDerWaalsContact CD-O 3.3Å; P125-A151 WeakPolarHBondContact CD-O 2.97Å; P125-A151 VanDerWaalsContact N-O 3.12Å; M131-A151 HydrophobicContact CB-CB 4.34Å; M131-A151 HydrophobicContact CG-CB 4.41Å; M131-A151 HydrophobicContact SD-CB 4Å; V133-A151 HydrophobicContact CG2-CB 4.14Å; S149-A151 PolarHBondContact O-N 3.5Å; S149-A151 PolarHBondContact OG-N 2.73Å; A151-T155 HydrophobicContact CB-CG2 3.91Å; A151-Y321 PolarHBondContact O-OH 3.44Å; A151-Y321 VanDerWaalsContact O-OH 3.07Å
152S98.5Very high98.4Very high16 Ų1621.3 Ų21.311%0.11212%0.118CC..  trans-117.3164.1174.266.10000111.2T154 T155 N156S152-T154 VanDerWaalsContact C-N 3.32Å; S152-T154 PolarHBondContact O-N 2.63Å; S152-T155 PolarHBondContact O-N 2.62Å; S152-T155 WeakPolarHBondContact OG-CB 3.46Å; S152-T155 PolarHBondContact OG-N 2.89Å; S152-T155 PolarHBondContact OG-OG1 3.14Å; S152-N156 PolarHBondContact O-N 3.03Å; S152-N156 PolarHBondContact O-ND2 3.06Å
153C98.4Very high98.5Very high25 Ų2518.7 Ų18.717%0.16910%0.104CC..Hα-helixtrans-51.5-49169.350.30000112T155 N156 C157 H180 Y315 N317 Y321C153-T155 PolarHBondContact O-N 3.02Å; C153-N156 PolarHBondContact O-N 3.07Å; C153-C157 PolarHBondContact O-N 3.29Å; C153-H180 PolarHBondContact SG-NE2 2.84Å; C153-Y315 HydrophobicContact CB-CD2 4.14Å; C153-Y315 HydrophobicContact CB-CE2 3.86Å; C153-N317 HydrophobicContact CB-CB 3.88Å; C153-N317 WeakPolarHBondContact CB-O 3.45Å; C153-Y321 HydrophobicContact CB-CD2 4.22Å; C153-Y321 HydrophobicContact CB-CG 4.26Å
154T98.7Very high98.6Very high6 Ų614.1 Ų14.14%0.0379%0.086CC..Hα-helixtrans-64.3-37.9178.8-46.90000112.6S152 C157 L158 M176 T178 A214 V244 Y315S152-T154 VanDerWaalsContact C-N 3.32Å; S152-T154 PolarHBondContact O-N 2.63Å; T154-C157 PolarHBondContact O-N 2.83Å; T154-L158 WeakPolarHBondContact O-CB 3.25Å; T154-L158 PolarHBondContact O-N 2.83Å; T154-M176 HydrophobicContact CG2-CE 3.8Å; T154-M176 HydrophobicContact CG2-SD 4.04Å; T154-T178 HydrophobicContact CG2-CG2 3.83Å; T154-A214 HydrophobicContact CG2-CB 3.85Å; T154-V244 HydrophobicContact CG2-CG2 4Å; T154-Y315 PolarHBondContact OG1-OH 3.46Å
155T98.7Very high98.7Very high0 Ų09.8 Ų9.80%06%0.055CC..Hα-helixtrans-67.4-38.8175.1-56.10000111.3V133 A151 S152 C153 C157 L158 A159 A214 A217 V218 V221V133-T155 HydrophobicContact CG2-CG2 4.1Å; A151-T155 HydrophobicContact CB-CG2 3.91Å; S152-T155 PolarHBondContact O-N 2.62Å; S152-T155 WeakPolarHBondContact OG-CB 3.46Å; S152-T155 PolarHBondContact OG-N 2.89Å; S152-T155 PolarHBondContact OG-OG1 3.14Å; C153-T155 PolarHBondContact O-N 3.02Å; T155-C157 VanDerWaalsContact C-N 3.28Å; T155-C157 PolarHBondContact O-N 3.11Å; T155-L158 PolarHBondContact O-N 3.14Å; T155-A159 WeakPolarHBondContact O-CB 3.26Å; T155-A159 PolarHBondContact O-N 2.86Å; T155-A214 VanDerWaalsContact OG1-CA 3.31Å; T155-A214 WeakPolarHBondContact OG1-CA 3.49Å; T155-A214 WeakPolarHBondContact OG1-CB 3.34Å; T155-A214 PolarHBondContact OG1-O 3.38Å; T155-A217 HydrophobicContact CG2-CB 4.16Å; T155-V218 HydrophobicContact CG2-CG2 4.21Å; T155-V221 HydrophobicContact CG2-CG2 4.46Å
156N98.9Very high98.7Very high2 Ų29.3 Ų9.31%0.0115%0.052CC..Hα-helixtrans-65.2-31174.5-83.3-95.6000112.2N150 S152 C153 P160 S293N150-N156 PolarHBondContact O-ND2 3.33Å; S152-N156 PolarHBondContact O-N 3.03Å; S152-N156 PolarHBondContact O-ND2 3.06Å; C153-N156 PolarHBondContact O-N 3.07Å; N156-P160 WeakPolarHBondContact O-CD 3.31Å; N156-P160 VanDerWaalsContact O-CG 3.24Å; N156-P160 WeakPolarHBondContact O-CG 3.4Å; N156-S293 VanDerWaalsContact O-CB 3.29Å; N156-S293 WeakPolarHBondContact O-CB 3.48Å
157C98.9Very high98.7Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-73-51.6172.1-179.50000112.1C153 T154 T155 V244 S293 S294 Y315C153-C157 PolarHBondContact O-N 3.29Å; T154-C157 PolarHBondContact O-N 2.83Å; T155-C157 VanDerWaalsContact C-N 3.28Å; T155-C157 PolarHBondContact O-N 3.11Å; C157-V244 HydrophobicContact CB-CG2 4.04Å; C157-S293 WeakPolarHBondContact CA-O 3.33Å; C157-S293 WeakPolarHBondContact CB-O 3.37Å; C157-S294 WeakPolarHBondContact O-CB 3.5Å; C157-S294 PolarHBondContact O-OG 3.07Å; C157-Y315 HydrophobicContact CB-CD1 3.57Å; C157-Y315 HydrophobicContact CB-CD2 4.13Å; C157-Y315 HydrophobicContact CB-CE1 4.11Å; C157-Y315 HydrophobicContact CB-CG 3.58Å; C157-Y315 WeakPolarHBondContact SG-CD1 3.3Å
158L98.9Very high98.7Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-72.3-39-172.5178.462.8000113.2T154 T155 L161 A162 M176 A215 V218 V244 L246T154-L158 WeakPolarHBondContact O-CB 3.25Å; T154-L158 PolarHBondContact O-N 2.83Å; T155-L158 PolarHBondContact O-N 3.14Å; L158-L161 PolarHBondContact O-N 3.03Å; L158-A162 VanDerWaalsContact O-CB 3.26Å; L158-A162 WeakPolarHBondContact O-CB 3.49Å; L158-A162 PolarHBondContact O-N 2.85Å; L158-M176 HydrophobicContact CD2-CB 4.15Å; L158-M176 HydrophobicContact CD2-CE 4.46Å; L158-M176 HydrophobicContact CD2-CG 4.06Å; L158-A215 HydrophobicContact CD2-CB 3.89Å; L158-V218 HydrophobicContact CB-CG2 4.15Å; L158-V218 HydrophobicContact CD2-CG2 3.61Å; L158-V218 HydrophobicContact CG-CG2 3.81Å; L158-V244 HydrophobicContact CB-CG1 4.49Å; L158-V244 HydrophobicContact CD1-CG1 3.92Å; L158-L246 HydrophobicContact CD1-CB 4.09Å; L158-L246 HydrophobicContact CD1-CD1 4.13Å; L158-L246 HydrophobicContact CD1-CD2 3.87Å; L158-L246 HydrophobicContact CD1-CG 4.24Å
159A98.9Very high98.7Very high0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-65.2-44.4-170.400000113.9V133 V136 T155 L161 A162 K163 V218 V221 I222V133-A159 HydrophobicContact CG1-CB 4.29Å; V133-A159 HydrophobicContact CG2-CB 4.44Å; V136-A159 HydrophobicContact CG1-CB 4.41Å; V136-A159 HydrophobicContact CG2-CB 4.08Å; T155-A159 WeakPolarHBondContact O-CB 3.26Å; T155-A159 PolarHBondContact O-N 2.86Å; A159-L161 PolarHBondContact O-N 2.95Å; A159-A162 PolarHBondContact O-N 3.08Å; A159-K163 WeakPolarHBondContact O-CB 3.3Å; A159-K163 PolarHBondContact O-N 2.88Å; A159-V218 HydrophobicContact CB-CG1 4.27Å; A159-V218 HydrophobicContact CB-CG2 4.22Å; A159-V221 HydrophobicContact CB-CG2 3.93Å; A159-I222 HydrophobicContact CB-CD1 4.38Å; A159-I222 WeakPolarHBondContact O-CD1 3.3Å
160P98.9Very high98.7Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-59.4-44.8174.9-24.635000112.5V133 V136 N156 K163 V164 L271 I274 L275V133-P160 HydrophobicContact CG1-CG 4.37Å; V136-P160 HydrophobicContact CG2-CB 4.4Å; V136-P160 HydrophobicContact CG2-CG 3.95Å; N156-P160 WeakPolarHBondContact O-CD 3.31Å; N156-P160 VanDerWaalsContact O-CG 3.24Å; N156-P160 WeakPolarHBondContact O-CG 3.4Å; P160-K163 PolarHBondContact O-N 3.26Å; P160-V164 WeakPolarHBondContact O-CG2 3.43Å; P160-V164 PolarHBondContact O-N 3.17Å; P160-L271 HydrophobicContact CB-CD1 4.21Å; P160-I274 HydrophobicContact CB-CG2 4.3Å; P160-I274 HydrophobicContact CG-CG2 3.89Å; P160-L275 HydrophobicContact CB-CB 4.47Å
161L98.9Very high98.7Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-62.4-50.8176.4178.661.8000111.1L158 A159 K163 V164 I165 V263 F296 L311L158-L161 PolarHBondContact O-N 3.03Å; A159-L161 PolarHBondContact O-N 2.95Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.9Å; L161-V164 PolarHBondContact O-N 3.13Å; L161-V164 VanDerWaalsContact O-N 3.16Å; L161-I165 HydrophobicContact CD1-CG1 4.17Å; L161-I165 HydrophobicContact CG-CG1 4.48Å; L161-I165 WeakPolarHBondContact O-CG1 3.09Å; L161-I165 PolarHBondContact O-N 3.43Å; L161-V263 HydrophobicContact CD1-CG2 3.99Å; L161-F296 HydrophobicContact CD1-CD2 3.83Å; L161-F296 HydrophobicContact CD1-CE2 4.34Å; L161-F296 HydrophobicContact CD2-CD2 4.43Å; L161-L311 HydrophobicContact CD2-CB 4.18Å
162A98.9Very high98.7Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-59.8-37.1179.900000112.1L158 A159 H166 I171 V218 L225 L229L158-A162 VanDerWaalsContact O-CB 3.26Å; L158-A162 WeakPolarHBondContact O-CB 3.49Å; L158-A162 PolarHBondContact O-N 2.85Å; A159-A162 PolarHBondContact O-N 3.08Å; A162-H166 WeakPolarHBondContact O-CB 3.48Å; A162-H166 PolarHBondContact O-N 2.97Å; A162-I171 HydrophobicContact CB-CD1 4.1Å; A162-V218 HydrophobicContact CB-CG1 4.14Å; A162-L225 HydrophobicContact CB-CD1 3.96Å; A162-L229 HydrophobicContact CB-CD1 4.14Å
163K98.8Very high98.8Very high62 Ų6229.4 Ų29.427%0.2714%0.144SC..Hα-helixtrans-59.1-51.8174177.6167.3173.545.10111.3V136 A159 P160 L161 I165 H166 D167 I222V136-K163 HydrophobicContact CG1-CD 4.3Å; A159-K163 WeakPolarHBondContact O-CB 3.3Å; A159-K163 PolarHBondContact O-N 2.88Å; P160-K163 PolarHBondContact O-N 3.26Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.9Å; K163-I165 VanDerWaalsContact C-N 3.35Å; K163-I165 PolarHBondContact O-N 2.72Å; K163-H166 PolarHBondContact O-N 3.2Å; K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 IonicContact NZ-OD1 3.65Å; K163-D167 IonicContact NZ-OD2 2.84Å; K163-D167 PolarHBondContact NZ-OD2 2.97Å; K163-D167 VanDerWaalsContact O-CB 3.3Å; K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 PolarHBondContact O-N 3.15Å; K163-I222 HydrophobicContact CB-CD1 3.78Å
164V98.8Very high98.8Very high10 Ų1028.6 Ų28.66%0.06114%0.139CC..Hα-helixtrans-59.8-46.6-179.5174.70000111.4P160 L161 K168 A262 V263 A266 L271 L275P160-V164 WeakPolarHBondContact O-CG2 3.43Å; P160-V164 PolarHBondContact O-N 3.17Å; L161-V164 PolarHBondContact O-N 3.13Å; L161-V164 VanDerWaalsContact O-N 3.16Å; V164-K168 WeakPolarHBondContact O-CB 3.11Å; V164-K168 WeakPolarHBondContact O-CG 3.11Å; V164-K168 PolarHBondContact O-N 2.52Å; V164-A262 HydrophobicContact CG1-CB 4.33Å; V164-V263 HydrophobicContact CG1-CG2 4.24Å; V164-A266 HydrophobicContact CB-CB 4.36Å; V164-A266 HydrophobicContact CG1-CB 3.99Å; V164-A266 HydrophobicContact CG2-CB 3.37Å; V164-L271 HydrophobicContact CG2-CD1 3.59Å; V164-L275 HydrophobicContact CG2-CD2 3.94Å
165I98.8Very high98.8Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-65.9-44-179.3-59.7-60.4000110.9L161 K163 K168 F169 E170 I171 L250 I259 V263 L311L161-I165 HydrophobicContact CD1-CG1 4.17Å; L161-I165 HydrophobicContact CG-CG1 4.48Å; L161-I165 WeakPolarHBondContact O-CG1 3.09Å; L161-I165 PolarHBondContact O-N 3.43Å; K163-I165 VanDerWaalsContact C-N 3.35Å; K163-I165 PolarHBondContact O-N 2.72Å; I165-K168 PolarHBondContact O-N 2.89Å; I165-F169 HydrophobicContact CD1-CD2 4.44Å; I165-F169 HydrophobicContact CG2-CD2 4.45Å; I165-F169 WeakPolarHBondContact O-CA 3.43Å; I165-F169 WeakPolarHBondContact O-CB 3.42Å; I165-F169 PolarHBondContact O-N 3Å; I165-E170 PolarHBondContact O-N 3.36Å; I165-I171 HydrophobicContact CB-CD1 4.22Å; I165-I171 HydrophobicContact CB-CG1 4.32Å; I165-I171 HydrophobicContact CG2-CD1 4.12Å; I165-I171 HydrophobicContact CG2-CG1 3.76Å; I165-L250 HydrophobicContact CG2-CD2 3.56Å; I165-I259 HydrophobicContact CD1-CG2 3.67Å; I165-V263 HydrophobicContact CD1-CG2 4.1Å; I165-L311 HydrophobicContact CD1-CD1 3.71Å; I165-L311 HydrophobicContact CG1-CD1 3.62Å
166H98.7Very high98.8Very high33 Ų3333.8 Ų33.815%0.15317%0.166CC..Hα-helixtrans-67.3-44.3-180-174.474.2000112.1A162 K163 K168 E170 I171 L225A162-H166 WeakPolarHBondContact O-CB 3.48Å; A162-H166 PolarHBondContact O-N 2.97Å; K163-H166 PolarHBondContact O-N 3.2Å; H166-K168 PolarHBondContact O-N 3.39Å; H166-E170 VanDerWaalsContact O-CA 3.26Å; H166-E170 WeakPolarHBondContact O-CA 3.46Å; H166-E170 PolarHBondContact O-N 2.72Å; H166-I171 HydrophobicContact CB-CB 4.48Å; H166-I171 HydrophobicContact CB-CD1 4.24Å; H166-I171 HydrophobicContact CB-CG1 4.13Å; H166-I171 PolarHBondContact ND1-N 3.29Å; H166-I171 VanDerWaalsContact ND1-N 3.12Å; H166-L225 HydrophobicContact CB-CD1 4.3Å; H166-L225 HydrophobicContact CB-CD2 4.09Å; H166-L225 VanDerWaalsContact ND1-CD2 3.32Å; H166-L225 WeakPolarHBondContact ND1-CD2 3.41Å
167D98.5Very high98.8Very high98 Ų9835.4 Ų35.452%0.52418%0.176SC..Hα-helixtrans-62.5-29.9179.7-69.8-8.5000112.3K163K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 IonicContact NZ-OD1 3.65Å; K163-D167 IonicContact NZ-OD2 2.84Å; K163-D167 PolarHBondContact NZ-OD2 2.97Å; K163-D167 VanDerWaalsContact O-CB 3.3Å; K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 PolarHBondContact O-N 3.15Å
168K98.4Very high98.8Very high133 Ų13335.4 Ų35.458%0.57818%0.176SC*.Hα-helixtrans-96.7-37.7-177.5-69.3-64.1-173.4-1780114.8V164 I165 H166 A262V164-K168 WeakPolarHBondContact O-CB 3.11Å; V164-K168 WeakPolarHBondContact O-CG 3.11Å; V164-K168 PolarHBondContact O-N 2.52Å; I165-K168 PolarHBondContact O-N 2.89Å; H166-K168 PolarHBondContact O-N 3.39Å; K168-A262 HydrophobicContact CG-CB 4.08Å
169F98.7Very high98.8Very high18 Ų1838.1 Ų38.18%0.07919%0.193CC..Hα-helixtrans-128.4-4.7-167.2-51.9-64.4000113.9I165 L250 G251 K252 A254 E258 I259 A262I165-F169 HydrophobicContact CD1-CD2 4.44Å; I165-F169 HydrophobicContact CG2-CD2 4.45Å; I165-F169 WeakPolarHBondContact O-CA 3.43Å; I165-F169 WeakPolarHBondContact O-CB 3.42Å; I165-F169 PolarHBondContact O-N 3Å; F169-L250 HydrophobicContact CB-CB 4.32Å; F169-L250 HydrophobicContact CB-CD1 4.11Å; F169-L250 HydrophobicContact CB-CD2 4.15Å; F169-L250 HydrophobicContact CB-CG 4.42Å; F169-L250 HydrophobicContact CG-CD1 4.42Å; F169-G251 PolarHBondContact O-N 3.19Å; F169-G251 VanDerWaalsContact O-N 3.15Å; F169-K252 PolarHBondContact O-N 2.83Å; F169-A254 HydrophobicContact CD1-CB 3.58Å; F169-A254 HydrophobicContact CE1-CB 3.47Å; F169-A254 VanDerWaalsContact CE1-CB 3.47Å; F169-A254 HydrophobicContact CG-CB 4.28Å; F169-A254 HydrophobicContact CZ-CB 4.09Å; F169-E258 HydrophobicContact CZ-CB 4.4Å; F169-I259 HydrophobicContact CD2-CG1 4.37Å; F169-I259 HydrophobicContact CE2-CB 4.42Å; F169-I259 HydrophobicContact CE2-CG1 3.98Å; F169-I259 HydrophobicContact CZ-CG1 4.31Å; F169-A262 HydrophobicContact CE2-CB 3.8Å; F169-A262 HydrophobicContact CZ-CB 3.97Å
170E98.6Very high98.8Very high92 Ų9238.4 Ų38.443%0.4319%0.194SC..  trans55.9114-170.1-171-167.6179.600113.1I165 H166 V172 K228 L250 G251I165-E170 PolarHBondContact O-N 3.36Å; H166-E170 VanDerWaalsContact O-CA 3.26Å; H166-E170 WeakPolarHBondContact O-CA 3.46Å; H166-E170 PolarHBondContact O-N 2.72Å; E170-V172 PolarHBondContact O-N 3.29Å; E170-K228 IonicContact OE1-NZ 3.08Å; E170-L250 CarbonylContact O-C 3.04Å; E170-L250 VanDerWaalsContact O-CA 3.31Å; E170-L250 WeakPolarHBondContact O-CA 3.43Å; E170-G251 PolarHBondContact O-N 2.79Å
171I98.9Very high98.8Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-75.5120.4163.4-60.5173.4000109.3A162 I165 H166 L225 K228 L229 C248A162-I171 HydrophobicContact CB-CD1 4.1Å; I165-I171 HydrophobicContact CB-CD1 4.22Å; I165-I171 HydrophobicContact CB-CG1 4.32Å; I165-I171 HydrophobicContact CG2-CD1 4.12Å; I165-I171 HydrophobicContact CG2-CG1 3.76Å; H166-I171 HydrophobicContact CB-CB 4.48Å; H166-I171 HydrophobicContact CB-CD1 4.24Å; H166-I171 HydrophobicContact CB-CG1 4.13Å; H166-I171 PolarHBondContact ND1-N 3.29Å; H166-I171 VanDerWaalsContact ND1-N 3.12Å; I171-L225 HydrophobicContact CB-CD2 3.84Å; I171-L225 HydrophobicContact CD1-CD1 4.46Å; I171-L225 HydrophobicContact CD1-CD2 4.37Å; I171-L225 HydrophobicContact CG2-CD2 4.3Å; I171-K228 WeakPolarHBondContact O-CD 3.41Å; I171-K228 PolarHBondContact O-NZ 3.48Å; I171-L229 HydrophobicContact CG2-CD2 4.18Å; I171-C248 HydrophobicContact CG2-CB 4.3Å
172V98.8Very high98.7Very high39 Ų3940.5 Ų40.524%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-80.7-51.1172.2-176.10000110.2E170 K228 R249E170-V172 PolarHBondContact O-N 3.29Å; V172-K228 WeakPolarHBondContact O-CD 3.48Å; V172-R249 HydrophobicContact CB-CB 4.49Å; V172-R249 VanDerWaalsContact CG1-NH2 3.28Å; V172-R249 PolarHBondContact N-O 2.99Å
173E98.8Very high98.6Very high100 Ų10042.5 Ų42.547%0.46722%0.216SC..EExtended strand (participates in β ladder)trans-155.6156.217666.9-162.6151.400109.6K228 C248 R249E173-K228 CarbonylContact C-O 3.56Å; E173-K228 WeakPolarHBondContact CA-O 3.2Å; E173-C248 WeakPolarHBondContact O-CA 3.36Å; E173-C248 WeakPolarHBondContact O-CB 3.46Å; E173-R249 HydrophobicContact CG-CB 4.14Å; E173-R249 PolarHBondContact O-N 2.65Å; E173-R249 IonicContact OE1-CZ 3.21Å; E173-R249 IonicContact OE1-NE 3.65Å; E173-R249 PolarHBondContact OE1-NE 3.24Å; E173-R249 IonicContact OE1-NH2 2.75Å; E173-R249 PolarHBondContact OE1-NH2 3.21Å
174G98.7Very high98.4Very high8 Ų844.1 Ų44.18%0.08224%0.24CC..EExtended strand (participates in β ladder)trans-160.4149.817600000114K228 T230 T247G174-K228 PolarHBondContact N-O 3.21Å; G174-T230 PolarHBondContact O-N 3.2Å; G174-T247 CarbonylContact C-O 3.59Å; G174-T247 VanDerWaalsContact CA-O 3.22Å; G174-T247 WeakPolarHBondContact CA-O 3.41Å
175L98.9Very high98.1Very high111 Ų11147.8 Ų47.858%0.58126%0.263SS*.EExtended strand (participates in β ladder)trans-117.7133174.4-75.7170.2000109.4T230 T247L175-T230 WeakPolarHBondContact CA-O 3.32Å; L175-T230 HydrophobicContact CD2-CG2 3.61Å; L175-T247 PolarHBondContact N-O 2.75Å; L175-T247 PolarHBondContact O-N 3.35Å
176M98.8Very high98Very high3 Ų348.7 Ų48.72%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-109.9136.3177.6-179.6-90.1-58.100111.1T154 L158 T178 T212 A214 A215 T230 G231 M232 V244 D245T154-M176 HydrophobicContact CG2-CE 3.8Å; T154-M176 HydrophobicContact CG2-SD 4.04Å; L158-M176 HydrophobicContact CD2-CB 4.15Å; L158-M176 HydrophobicContact CD2-CE 4.46Å; L158-M176 HydrophobicContact CD2-CG 4.06Å; M176-T178 HydrophobicContact SD-CG2 4.14Å; M176-T178 PolarHBondContact SD-N 2.92Å; M176-T212 HydrophobicContact CE-CG2 4.12Å; M176-A214 HydrophobicContact CE-CB 4.33Å; M176-A215 HydrophobicContact CB-CB 4Å; M176-A215 HydrophobicContact CE-CB 3.53Å; M176-T230 PolarHBondContact N-O 3.46Å; M176-G231 CarbonylContact O-C 3.51Å; M176-G231 WeakPolarHBondContact O-CA 3.48Å; M176-M232 PolarHBondContact O-N 3.43Å; M176-V244 HydrophobicContact CG-CG1 3.86Å; M176-D245 CarbonylContact C-O 3.56Å; M176-D245 VanDerWaalsContact CA-O 3.26Å; M176-D245 WeakPolarHBondContact CA-O 3.3Å
177T98.9Very high97.9Very high37 Ų3751.1 Ų51.123%0.22728%0.277CS..EExtended strand (participates in β ladder)trans-114.2133.7159.4-65.80000107.6V179 M232 F234 D245T177-V179 HydrophobicContact CG2-CG2 4.49Å; T177-M232 WeakPolarHBondContact CA-O 3.27Å; T177-M232 HydrophobicContact CG2-SD 4.13Å; T177-F234 HydrophobicContact CG2-CD2 3.65Å; T177-F234 HydrophobicContact CG2-CE2 3.95Å; T177-D245 PolarHBondContact N-O 3.27Å; T177-D245 PolarHBondContact O-N 3.38Å
178T98.9Very high97.9Very high0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-107.6122.1163.2-174.10000110.2T154 M176 H180 M232 A233 F234 V243 Y315T154-T178 HydrophobicContact CG2-CG2 3.83Å; M176-T178 HydrophobicContact SD-CG2 4.14Å; M176-T178 PolarHBondContact SD-N 2.92Å; T178-H180 HydrophobicContact CG2-CB 4.2Å; T178-H180 PolarHBondContact O-N 3.24Å; T178-M232 PolarHBondContact N-O 2.72Å; T178-A233 HydrophobicContact CG2-CB 3.53Å; T178-A233 CarbonylContact O-C 3.56Å; T178-A233 VanDerWaalsContact O-CA 3.22Å; T178-A233 WeakPolarHBondContact O-CA 3.37Å; T178-F234 PolarHBondContact O-N 3.3Å; T178-V243 CarbonylContact C-O 3.56Å; T178-V243 WeakPolarHBondContact CA-O 3.32Å; T178-V243 WeakPolarHBondContact CB-O 3.4Å; T178-V243 PolarHBondContact OG1-O 2.83Å; T178-Y315 PolarHBondContact OG1-OH 2.8Å
179V98.9Very high97.8Very high57 Ų5750.2 Ų50.235%0.34529%0.286SS..EExtended strand (participates in β ladder)trans-85.7105.8166-176.60000105.4T177 V236 V243T177-V179 HydrophobicContact CG2-CG2 4.49Å; V179-V236 HydrophobicContact CG1-CB 4.33Å; V179-V236 HydrophobicContact CG1-CG1 3.61Å; V179-V236 HydrophobicContact CG1-CG2 3.74Å; V179-V243 HydrophobicContact CB-CG1 3.69Å; V179-V243 HydrophobicContact CG2-CG1 4.36Å; V179-V243 PolarHBondContact N-O 3.3Å; V179-V243 PolarHBondContact O-N 3.07Å
180H98.9Very high97.8Very high6 Ų653.4 Ų53.43%0.02830%0.304CS..EExtended strand (participates in β ladder)trans-119136.1-161.5-165.6-49.8000110.7C153 T178 F234 R235 V236 S242 Y315C153-H180 PolarHBondContact SG-NE2 2.84Å; T178-H180 HydrophobicContact CG2-CB 4.2Å; T178-H180 PolarHBondContact O-N 3.24Å; H180-F234 PolarHBondContact N-O 2.94Å; H180-R235 PolarHBondContact CD2-NH1 3.4Å; H180-R235 VanDerWaalsContact CD2-NH1 3.27Å; H180-R235 PolarHBondContact CE1-NH1 3.06Å; H180-R235 PolarHBondContact ND1-NH1 3.39Å; H180-R235 PolarHBondContact NE2-NH1 3.22Å; H180-R235 CarbonylContact O-C 3.57Å; H180-R235 WeakPolarHBondContact O-CA 3.49Å; H180-V236 PolarHBondContact O-N 3.48Å; H180-S242 VanDerWaalsContact CA-OG 3.29Å; H180-S242 WeakPolarHBondContact CA-OG 3.23Å; H180-S242 PolarHBondContact CE1-OG 2.86Å; H180-S242 VanDerWaalsContact CG-OG 3.24Å; H180-S242 PolarHBondContact ND1-OG 3.24Å; H180-Y315 PolarHBondContact CD2-OH 3.46Å
181S98.7Very high97.7Very high0 Ų050.6 Ų50.60%030%0.3CS..EExtended strand (participates in β ladder)trans-55.6153.5170.3-80.10000112.5T238 D240 V241 S242S181-T238 WeakPolarHBondContact CA-O 3.26Å; S181-T238 WeakPolarHBondContact CB-O 3.25Å; S181-T238 WeakPolarHBondContact OG-CB 3.36Å; S181-T238 PolarHBondContact OG-O 2.67Å; S181-T238 VanDerWaalsContact OG-O 3.13Å; S181-T238 PolarHBondContact OG-OG1 2.9Å; S181-D240 VanDerWaalsContact OG-CA 3.31Å; S181-D240 WeakPolarHBondContact OG-CA 3.37Å; S181-D240 PolarHBondContact OG-N 3.08Å; S181-D240 PolarHBondContact OG-O 3.17Å; S181-V241 WeakPolarHBondContact CB-O 3.5Å; S181-V241 PolarHBondContact OG-O 3.25Å; S181-S242 PolarHBondContact N-OG 3.1Å
182F97.1Very high97.6Very high43 Ų4356.5 Ų56.519%0.18934%0.338CS..  trans-69.1157.3174.664.6-102.7000111.3Q186 A203 M204 V236 T238 P239F182-Q186 VanDerWaalsContact CB-NE2 3.29Å; F182-A203 HydrophobicContact CB-CB 3.96Å; F182-A203 HydrophobicContact CD1-CB 4.43Å; F182-A203 HydrophobicContact CG-CB 4.09Å; F182-M204 HydrophobicContact CE1-CG 4.35Å; F182-M204 HydrophobicContact CZ-CE 4.19Å; F182-V236 PolarHBondContact N-O 2.89Å; F182-T238 WeakPolarHBondContact CD1-O 3.31Å; F182-T238 VanDerWaalsContact CE1-C 3.44Å; F182-T238 VanDerWaalsContact CE1-O 3.28Å; F182-T238 WeakPolarHBondContact CE1-O 3.46Å; F182-T238 PolarHBondContact N-O 2.9Å; F182-P239 HydrophobicContact CE1-CB 4.4Å; F182-P239 HydrophobicContact CZ-CB 3.92Å
183T96.6Very high97.4Very high43 Ų4356 Ų5626%0.26434%0.336SS..  trans-129.6172.2-175.972.10000110.5T185 Q186T183-T185 PolarHBondContact O-N 2.94Å; T183-T185 PolarHBondContact OG1-OG1 3.06Å; T183-Q186 PolarHBondContact O-N 2.94Å; T183-Q186 VanDerWaalsContact O-N 3.09Å; T183-Q186 PolarHBondContact O-OE1 3.08Å; T183-Q186 PolarHBondContact OG1-OE1 2.74Å
184A95.4Very high96.8Very high95 Ų9557 Ų5779%0.78535%0.354SS*.THydrogen-bonded Turntrans-61.9-12.6-177.300000115
185T92.9Very high96Very high88 Ų8865.4 Ų65.454%0.5439%0.388SS..THydrogen-bonded Turntrans-79.8-19.6176.659.60000113.1T183T183-T185 PolarHBondContact O-N 2.94Å; T183-T185 PolarHBondContact OG1-OG1 3.06Å
186Q96.2Very high95.7Very high18 Ų1864.3 Ų64.38%0.08438%0.383CS..SBendtrans-86.8164.6-178.8-66.6138.6-94.400111.7F182 T183 D199 A203 R235F182-Q186 VanDerWaalsContact CB-NE2 3.29Å; T183-Q186 PolarHBondContact O-N 2.94Å; T183-Q186 VanDerWaalsContact O-N 3.09Å; T183-Q186 PolarHBondContact O-OE1 3.08Å; T183-Q186 PolarHBondContact OG1-OE1 2.74Å; Q186-D199 HydrophobicContact CG-CB 4.2Å; Q186-A203 HydrophobicContact CB-CB 4.05Å; Q186-R235 VanDerWaalsContact NE2-CB 3.33Å
187K97.1Very high95.6Very high85 Ų8574.6 Ų74.637%0.3742%0.421SS..BIsolated β-bridgetrans-106149.2-171.4-52.6-55.9178.7-168.10112.3V189 P192 A203K187-V189 WeakPolarHBondContact CB-O 3.48Å; K187-P192 WeakPolarHBondContact CE-O 3.14Å; K187-A203 WeakPolarHBondContact O-CB 3.49Å; K187-A203 PolarHBondContact O-N 3.36Å
188V97.3Very high95.6Very high114 Ų11480 Ų8069%0.69144%0.437SS*.SBendtrans-65.9-45.2174.7179.70000110.5
189V97.6Very high95.4Very high98 Ų9880.5 Ų80.559%0.59444%0.441SS*.SBendtrans-125.3167.6175.9-63.20000109.9K187 G191K187-V189 WeakPolarHBondContact CB-O 3.48Å; V189-G191 PolarHBondContact O-N 2.81Å
190D98Very high95.3Very high85 Ų8577.9 Ų77.946%0.45543%0.425SS..SBendtrans-54124177.3-73.60000111.5G200 R201 G202D190-G200 CarbonylContact C-O 3.56Å; D190-G200 WeakPolarHBondContact CA-O 3.46Å; D190-R201 VanDerWaalsContact OD1-CA 3.25Å; D190-R201 WeakPolarHBondContact OD1-CA 3.38Å; D190-R201 IonicContact OD1-CZ 3.24Å; D190-R201 IonicContact OD1-NE 2.85Å; D190-R201 PolarHBondContact OD1-NE 3.32Å; D190-R201 VanDerWaalsContact OD1-NE 3.08Å; D190-R201 IonicContact OD1-NH2 2.78Å; D190-R201 IonicContact OD2-CZ 2.85Å; D190-R201 VanDerWaalsContact OD2-CZ 3.24Å; D190-R201 IonicContact OD2-NE 3.83Å; D190-R201 PolarHBondContact OD2-NE 2.85Å; D190-R201 IonicContact OD2-NH2 3.9Å; D190-R201 PolarHBondContact OD2-NH2 2.85Å; D190-G202 PolarHBondContact OD1-N 3.5Å
191G97.1Very high95.3Very high33 Ų3383.2 Ų83.234%0.3445%0.445SS..  trans-162.9174.9-175.800000113.3V189 G200V189-G191 PolarHBondContact O-N 2.81Å; G191-G200 PolarHBondContact N-O 3.39Å; G191-G200 CarbonylContact O-C 3.57Å; G191-G200 WeakPolarHBondContact O-CA 3.19Å; G191-G200 VanDerWaalsContact O-O 3.12Å
192P96.7Very high95.3Very high123 Ų12383.2 Ų83.280%0.79945%0.445SS*.  trans-69.4137.2-174.326.8-33.7000112.6K187K187-P192 WeakPolarHBondContact CE-O 3.14Å
193S94.3Very high95.3Very high29 Ų2981.4 Ų81.420%0.20344%0.438CS..  trans-127.2125.2167.5173.80000108.8K195 L196S193-K195 VanDerWaalsContact C-N 3.34Å; S193-K195 PolarHBondContact O-N 2.91Å; S193-L196 WeakPolarHBondContact CB-O 3.35Å; S193-L196 VanDerWaalsContact OG-C 3.31Å; S193-L196 PolarHBondContact OG-N 3.04Å; S193-L196 PolarHBondContact OG-O 2.83Å
194S85.6Confident95.3Very high120 Ų12085.5 Ų85.584%0.83946%0.456SS*.SBendtrans-64.9-32.8-167.755.50000114.1
195K82.5Confident95.4Very high185 Ų18588.1 Ų88.180%0.80445%0.452SS*.SBendtrans-130.3-32.9-176.6-66.1-174.7179.5-179.20114.1S193S193-K195 VanDerWaalsContact C-N 3.34Å; S193-K195 PolarHBondContact O-N 2.91Å
196L92.6Very high95.7Very high89 Ų8986 Ų8647%0.46644%0.437SS..  trans-111.681-174.1-61.6176.5000108.8S193 R198 D199S193-L196 WeakPolarHBondContact CB-O 3.35Å; S193-L196 VanDerWaalsContact OG-C 3.31Å; S193-L196 PolarHBondContact OG-N 3.04Å; S193-L196 PolarHBondContact OG-O 2.83Å; L196-R198 PolarHBondContact O-N 2.5Å; L196-R198 VanDerWaalsContact O-N 3.08Å; L196-D199 HydrophobicContact CB-CB 4.15Å; L196-D199 VanDerWaalsContact CD1-OD2 3.32Å; L196-D199 WeakPolarHBondContact CD1-OD2 3.32Å; L196-D199 WeakPolarHBondContact O-CB 3.19Å; L196-D199 PolarHBondContact O-N 3.11Å
197W96.7Very high95.8Very high219 Ų21990.8 Ų90.883%0.8346%0.462SS*.G310 helixtrans-54.1-34.6-170.6-62.9-10.7000113.7D199 G200W197-D199 VanDerWaalsContact C-N 3.3Å; W197-D199 PolarHBondContact O-N 3.5Å; W197-G200 PolarHBondContact O-N 2.84Å; W197-G200 VanDerWaalsContact O-N 3.11Å
198R98Very high95.8Very high149 Ų14987 Ų8756%0.56245%0.446SS*.G310 helixtrans-65.9-30.8178.4-57.8-176.3174.3175.2-2.1112.9L196 G200 R201 I208 P209L196-R198 PolarHBondContact O-N 2.5Å; L196-R198 VanDerWaalsContact O-N 3.08Å; R198-G200 PolarHBondContact O-N 3.37Å; R198-R201 WeakPolarHBondContact O-CB 3.36Å; R198-R201 WeakPolarHBondContact O-CG 3.49Å; R198-R201 PolarHBondContact O-N 2.86Å; R198-R201 VanDerWaalsContact O-N 3.15Å; R198-I208 HydrophobicContact CB-CG2 3.74Å; R198-I208 WeakPolarHBondContact O-CG2 3.25Å; R198-P209 WeakPolarHBondContact CD-O 3.49Å; R198-P209 VanDerWaalsContact NH1-CB 3.27Å; R198-P209 VanDerWaalsContact NH1-CG 3.35Å; R198-P209 PolarHBondContact NH1-O 3.12Å
199D95.7Very high95.9Very high12 Ų1283.4 Ų83.46%0.06443%0.425CS..G310 helixtrans-69.8-14.1175.7-66.81000112.5Q186 L196 W197 R201Q186-D199 HydrophobicContact CG-CB 4.2Å; L196-D199 HydrophobicContact CB-CB 4.15Å; L196-D199 VanDerWaalsContact CD1-OD2 3.32Å; L196-D199 WeakPolarHBondContact CD1-OD2 3.32Å; L196-D199 WeakPolarHBondContact O-CB 3.19Å; L196-D199 PolarHBondContact O-N 3.11Å; W197-D199 VanDerWaalsContact C-N 3.3Å; W197-D199 PolarHBondContact O-N 3.5Å; D199-R201 VanDerWaalsContact C-N 3.28Å
200G97.3Very high95.9Very high2 Ų279.5 Ų79.52%0.02140%0.403CS..G310 helixtrans-76.2-13.5173.200000113.7D190 G191 W197 R198D190-G200 CarbonylContact C-O 3.56Å; D190-G200 WeakPolarHBondContact CA-O 3.46Å; G191-G200 PolarHBondContact N-O 3.39Å; G191-G200 CarbonylContact O-C 3.57Å; G191-G200 WeakPolarHBondContact O-CA 3.19Å; G191-G200 VanDerWaalsContact O-O 3.12Å; W197-G200 PolarHBondContact O-N 2.84Å; W197-G200 VanDerWaalsContact O-N 3.11Å; R198-G200 PolarHBondContact O-N 3.37Å
201R98.1Very high95.7Very high117 Ų11780.2 Ų80.244%0.44241%0.414SS..SBendtrans-79149179-54.9-56.1-57.8-76.33.3110.9D190 R198 D199 A203 I208D190-R201 VanDerWaalsContact OD1-CA 3.25Å; D190-R201 WeakPolarHBondContact OD1-CA 3.38Å; D190-R201 IonicContact OD1-CZ 3.24Å; D190-R201 IonicContact OD1-NE 2.85Å; D190-R201 PolarHBondContact OD1-NE 3.32Å; D190-R201 VanDerWaalsContact OD1-NE 3.08Å; D190-R201 IonicContact OD1-NH2 2.78Å; D190-R201 IonicContact OD2-CZ 2.85Å; D190-R201 VanDerWaalsContact OD2-CZ 3.24Å; D190-R201 IonicContact OD2-NE 3.83Å; D190-R201 PolarHBondContact OD2-NE 2.85Å; D190-R201 IonicContact OD2-NH2 3.9Å; D190-R201 PolarHBondContact OD2-NH2 2.85Å; R198-R201 WeakPolarHBondContact O-CB 3.36Å; R198-R201 WeakPolarHBondContact O-CG 3.49Å; R198-R201 PolarHBondContact O-N 2.86Å; R198-R201 VanDerWaalsContact O-N 3.15Å; D199-R201 VanDerWaalsContact C-N 3.28Å; R201-A203 PolarHBondContact O-N 3.42Å; R201-A203 VanDerWaalsContact O-N 3.14Å; R201-I208 HydrophobicContact CB-CD1 4.41Å
202G97.9Very high95.6Very high0 Ų080.5 Ų80.50%041%0.41CS..BIsolated β-bridgetrans-53.9116.4-177.400000112.9D190 M204 Q205 N206D190-G202 PolarHBondContact OD1-N 3.5Å; G202-M204 PolarHBondContact O-N 2.85Å; G202-Q205 PolarHBondContact O-N 3.29Å; G202-N206 PolarHBondContact O-N 3.48Å; G202-N206 PolarHBondContact O-ND2 3.47Å
203A97.7Very high95.4Very high6 Ų677.1 Ų77.15%0.0540%0.397CS..THydrogen-bonded Turntrans-66.6-32.5-169.900000113.6F182 Q186 K187 R201 Q205F182-A203 HydrophobicContact CB-CB 3.96Å; F182-A203 HydrophobicContact CD1-CB 4.43Å; F182-A203 HydrophobicContact CG-CB 4.09Å; Q186-A203 HydrophobicContact CB-CB 4.05Å; K187-A203 WeakPolarHBondContact O-CB 3.49Å; K187-A203 PolarHBondContact O-N 3.36Å; R201-A203 PolarHBondContact O-N 3.42Å; R201-A203 VanDerWaalsContact O-N 3.14Å; A203-Q205 VanDerWaalsContact C-N 3.26Å; A203-Q205 PolarHBondContact O-N 2.94Å
204M96.5Very high95.5Very high129 Ų12975.8 Ų75.864%0.63539%0.388SS*.THydrogen-bonded Turntrans-81.6-1.3179.6-67.6-171.8-173.700113.8F182 G202F182-M204 HydrophobicContact CE1-CG 4.35Å; F182-M204 HydrophobicContact CZ-CE 4.19Å; G202-M204 PolarHBondContact O-N 2.85Å
205Q97.5Very high96Very high149 Ų14970.1 Ų70.170%0.69635%0.348SS*.THydrogen-bonded Turntrans-121.3-9.7-173-63.2177.311.800113.6G202 A203G202-Q205 PolarHBondContact O-N 3.29Å; A203-Q205 VanDerWaalsContact C-N 3.26Å; A203-Q205 PolarHBondContact O-N 2.94Å
206N98.7Very high96.7Very high44 Ų4468.1 Ų68.124%0.23534%0.339CS..  trans-130.1148.3-168.6-69.7-79.8000112.6G202 I208G202-N206 PolarHBondContact O-N 3.48Å; G202-N206 PolarHBondContact O-ND2 3.47Å; N206-I208 HydrophobicContact CB-CD1 4.09Å; N206-I208 HydrophobicContact CB-CG1 3.6Å
207I98.8Very high96.9Very high118 Ų11864.3 Ų64.361%0.60532%0.32SS*.  trans-90.5113.5156.4-58.2173.9000106.4F234 R235 V236I207-F234 HydrophobicContact CG2-CB 4.01Å; I207-F234 HydrophobicContact CG2-CD1 3.78Å; I207-F234 HydrophobicContact CG2-CG 4.2Å; I207-R235 CarbonylContact C-O 3.38Å; I207-R235 WeakPolarHBondContact CA-O 3.33Å; I207-V236 HydrophobicContact CG1-CG1 4.39Å; I207-V236 HydrophobicContact CG2-CG1 4.27Å
208I98.4Very high97Very high6 Ų653.9 Ų53.93%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-111107.5-169.1-62.8170.6000109.3R198 R201 N206 A210 F234 R235R198-I208 HydrophobicContact CB-CG2 3.74Å; R198-I208 WeakPolarHBondContact O-CG2 3.25Å; R201-I208 HydrophobicContact CB-CD1 4.41Å; N206-I208 HydrophobicContact CB-CD1 4.09Å; N206-I208 HydrophobicContact CB-CG1 3.6Å; I208-A210 PolarHBondContact O-N 3.32Å; I208-F234 CarbonylContact O-C 3.58Å; I208-F234 WeakPolarHBondContact O-CA 3.31Å; I208-R235 HydrophobicContact CB-CB 4.1Å; I208-R235 PolarHBondContact N-O 2.91Å; I208-R235 PolarHBondContact O-N 2.78Å
209P98.4Very high96.9Very high38 Ų3847 Ų4725%0.24726%0.256CS..EExtended strand (participates in β ladder)trans-71.5133.2175.60.510.9000110.6R198 M232 A233 F234R198-P209 WeakPolarHBondContact CD-O 3.49Å; R198-P209 VanDerWaalsContact NH1-CB 3.27Å; R198-P209 VanDerWaalsContact NH1-CG 3.35Å; R198-P209 PolarHBondContact NH1-O 3.12Å; P209-M232 HydrophobicContact CB-CE 3.95Å; P209-A233 CarbonylContact C-O 3.49Å; P209-A233 WeakPolarHBondContact CA-O 3.41Å; P209-F234 HydrophobicContact CB-CD1 3.8Å; P209-F234 HydrophobicContact CB-CE1 3.69Å; P209-F234 HydrophobicContact CG-CD1 4.04Å; P209-F234 HydrophobicContact CG-CE1 3.85Å
210A96.9Very high97Very high16 Ų1652.1 Ų52.113%0.13228%0.278CS..EExtended strand (participates in β ladder)trans-134.1145-176.300000111.5I208 A233 R235I208-A210 PolarHBondContact O-N 3.32Å; A210-A233 HydrophobicContact CB-CB 4.34Å; A210-A233 PolarHBondContact N-O 3.31Å; A210-A233 PolarHBondContact O-N 3.01Å; A210-R235 HydrophobicContact CB-CG 4.4Å
211S94.8Very high97Very high100 Ų10052.3 Ų52.370%0.69928%0.279SS*.EExtended strand (participates in β ladder)trans-76.4143169.355.60000110.4
212T94.6Very high97Very high40 Ų4047.6 Ų47.625%0.24526%0.262CS..  trans-139.5139.7172.6178.10000111.3M176 A214 A233M176-T212 HydrophobicContact CE-CG2 4.12Å; T212-A214 VanDerWaalsContact C-N 3.28Å; T212-A214 VanDerWaalsContact OG1-CB 3.28Å; T212-A214 WeakPolarHBondContact OG1-CB 3.23Å; T212-A214 PolarHBondContact OG1-N 3.07Å; T212-A214 VanDerWaalsContact OG1-N 3.1Å; T212-A233 HydrophobicContact CG2-CB 4.2Å
213G92.8Very high97Very high51 Ų5152.4 Ų52.453%0.52629%0.294SS..SBendtrans-83.6-0.3171.200000113.6A215 K216 A217G213-A215 PolarHBondContact O-N 3.41Å; G213-K216 PolarHBondContact O-N 2.88Å; G213-A217 PolarHBondContact O-N 3.18Å
214A96.2Very high97.1Very high2 Ų255 Ų552%0.01732%0.315CS..Hα-helixtrans-62.5-42.5-167.400000114T154 T155 M176 T212 A217 V218T154-A214 HydrophobicContact CG2-CB 3.85Å; T155-A214 VanDerWaalsContact OG1-CA 3.31Å; T155-A214 WeakPolarHBondContact OG1-CA 3.49Å; T155-A214 WeakPolarHBondContact OG1-CB 3.34Å; T155-A214 PolarHBondContact OG1-O 3.38Å; M176-A214 HydrophobicContact CE-CB 4.33Å; T212-A214 VanDerWaalsContact C-N 3.28Å; T212-A214 VanDerWaalsContact OG1-CB 3.28Å; T212-A214 WeakPolarHBondContact OG1-CB 3.23Å; T212-A214 PolarHBondContact OG1-N 3.07Å; T212-A214 VanDerWaalsContact OG1-N 3.1Å; A214-A217 WeakPolarHBondContact O-CB 3.22Å; A214-A217 PolarHBondContact O-N 2.95Å; A214-V218 PolarHBondContact O-N 3.14Å
215A96.3Very high97.2Very high0 Ų048.9 Ų48.90%029%0.285CS..Hα-helixtrans-68.3-39.3175.600000112.2L158 M176 G213 A217 V218L158-A215 HydrophobicContact CD2-CB 3.89Å; M176-A215 HydrophobicContact CB-CB 4Å; M176-A215 HydrophobicContact CE-CB 3.53Å; G213-A215 PolarHBondContact O-N 3.41Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 3.06Å; A215-V218 VanDerWaalsContact O-CB 3.3Å; A215-V218 WeakPolarHBondContact O-CB 3.49Å; A215-V218 PolarHBondContact O-N 2.79Å; A215-V218 VanDerWaalsContact O-N 3.11Å
216K96.8Very high97.2Very high144 Ų14447 Ų4763%0.62628%0.279SS*.Hα-helixtrans-62.7-35.3173.6-172.7175.7-178.9176.80111.6G213 V218 G219G213-K216 PolarHBondContact O-N 2.88Å; K216-V218 PolarHBondContact O-N 3.24Å; K216-G219 PolarHBondContact O-N 3.48Å; K216-G219 VanDerWaalsContact O-N 3.12Å
217A97Very high97.2Very high8 Ų848.6 Ų48.67%0.06631%0.307CS..Hα-helixtrans-66.5-22.5176.400000113.2M131 T155 G213 A214 A215 G219 K220 V221M131-A217 HydrophobicContact CE-CB 3.94Å; M131-A217 HydrophobicContact SD-CB 4.48Å; T155-A217 HydrophobicContact CG2-CB 4.16Å; G213-A217 PolarHBondContact O-N 3.18Å; A214-A217 WeakPolarHBondContact O-CB 3.22Å; A214-A217 PolarHBondContact O-N 2.95Å; A215-A217 VanDerWaalsContact C-N 3.26Å; A215-A217 PolarHBondContact O-N 3.06Å; A217-G219 PolarHBondContact O-N 3.18Å; A217-K220 WeakPolarHBondContact O-CB 3.31Å; A217-K220 PolarHBondContact O-N 3.42Å; A217-V221 PolarHBondContact O-N 3.32Å
218V98.2Very high97.2Very high0 Ų045.9 Ų45.90%029%0.29CS..Hα-helixtrans-59.2-38170.4-1800000110.9T155 L158 A159 A162 A214 A215 K216 K220 V221 I222 L225 L229T155-V218 HydrophobicContact CG2-CG2 4.21Å; L158-V218 HydrophobicContact CB-CG2 4.15Å; L158-V218 HydrophobicContact CD2-CG2 3.61Å; L158-V218 HydrophobicContact CG-CG2 3.81Å; A159-V218 HydrophobicContact CB-CG1 4.27Å; A159-V218 HydrophobicContact CB-CG2 4.22Å; A162-V218 HydrophobicContact CB-CG1 4.14Å; A214-V218 PolarHBondContact O-N 3.14Å; A215-V218 VanDerWaalsContact O-CB 3.3Å; A215-V218 WeakPolarHBondContact O-CB 3.49Å; A215-V218 PolarHBondContact O-N 2.79Å; A215-V218 VanDerWaalsContact O-N 3.11Å; K216-V218 PolarHBondContact O-N 3.24Å; V218-K220 PolarHBondContact O-N 2.77Å; V218-V221 WeakPolarHBondContact O-CG2 3.22Å; V218-V221 PolarHBondContact O-N 2.84Å; V218-I222 HydrophobicContact CG1-CD1 3.91Å; V218-I222 HydrophobicContact CG1-CG1 4.46Å; V218-I222 PolarHBondContact O-N 2.84Å; V218-L225 HydrophobicContact CG1-CD1 4.06Å; V218-L229 HydrophobicContact CB-CD1 4.13Å; V218-L229 HydrophobicContact CG1-CD1 3.77Å
219G97.3Very high97.2Very high4 Ų446 Ų464%0.04129%0.291CS..Hα-helixtrans-64.3-19.6174.400000114.7K216 A217 P223K216-G219 PolarHBondContact O-N 3.48Å; K216-G219 VanDerWaalsContact O-N 3.12Å; A217-G219 PolarHBondContact O-N 3.18Å; G219-P223 WeakPolarHBondContact O-CA 3.49Å
220K96.3Very high97.2Very high121 Ų12147.7 Ų47.753%0.52630%0.301SS..Hα-helixtrans-82.2-37.4173.6-69.5-178.9166.9-166.90112.1M131 A217 V218M131-K220 HydrophobicContact CE-CB 4.25Å; M131-K220 HydrophobicContact CE-CD 3.29Å; M131-K220 HydrophobicContact CE-CG 4.37Å; A217-K220 WeakPolarHBondContact O-CB 3.31Å; A217-K220 PolarHBondContact O-N 3.42Å; V218-K220 PolarHBondContact O-N 2.77Å
221V98.1Very high97.2Very high6 Ų647.9 Ų47.94%0.03630%0.304CS..Hα-helixtrans-87.8-20.4179.6-61.90000113M131 V133 V136 N137 T155 A159 A217 V218M131-V221 HydrophobicContact CB-CG1 4.17Å; M131-V221 WeakPolarHBondContact O-CG1 3.48Å; V133-V221 HydrophobicContact CG2-CG1 4.22Å; V133-V221 HydrophobicContact CG2-CG2 4.33Å; V136-V221 HydrophobicContact CG1-CG2 4.43Å; N137-V221 WeakPolarHBondContact CB-O 3.36Å; T155-V221 HydrophobicContact CG2-CG2 4.46Å; A159-V221 HydrophobicContact CB-CG2 3.93Å; A217-V221 PolarHBondContact O-N 3.32Å; V218-V221 WeakPolarHBondContact O-CG2 3.22Å; V218-V221 PolarHBondContact O-N 2.84Å
222I98.4Very high97.4Very high17 Ų1746 Ų469%0.08729%0.285CS..SBendtrans-127.387.4171.8-54.7170.4000106.9V136 A159 K163 V218 A224 L225V136-I222 HydrophobicContact CG1-CD1 3.85Å; V136-I222 HydrophobicContact CG1-CG1 3.48Å; V136-I222 VanDerWaalsContact CG1-CG1 3.48Å; A159-I222 HydrophobicContact CB-CD1 4.38Å; A159-I222 WeakPolarHBondContact O-CD1 3.3Å; K163-I222 HydrophobicContact CB-CD1 3.78Å; V218-I222 HydrophobicContact CG1-CD1 3.91Å; V218-I222 HydrophobicContact CG1-CG1 4.46Å; V218-I222 PolarHBondContact O-N 2.84Å; I222-A224 PolarHBondContact O-N 2.99Å; I222-A224 VanDerWaalsContact O-N 3.07Å; I222-L225 HydrophobicContact CB-CB 4.38Å; I222-L225 HydrophobicContact CB-CD1 4.05Å; I222-L225 HydrophobicContact CB-CG 4.31Å; I222-L225 HydrophobicContact CD1-CD1 3.95Å; I222-L225 HydrophobicContact CG2-CB 4.27Å; I222-L225 HydrophobicContact CG2-CD1 3.76Å; I222-L225 HydrophobicContact CG2-CG 3.78Å; I222-L225 WeakPolarHBondContact O-CB 3.43Å; I222-L225 PolarHBondContact O-N 3.21Å
223P98Very high97.6Very high102 Ų10244.2 Ų44.266%0.66227%0.274SS*.G310 helixtrans-54.4-32.3-173.4-30.637.1000114.8G219 L225 N226G219-P223 WeakPolarHBondContact O-CA 3.49Å; P223-L225 PolarHBondContact O-N 3.19Å; P223-L225 VanDerWaalsContact O-N 3.15Å; P223-N226 VanDerWaalsContact O-CB 3.26Å; P223-N226 WeakPolarHBondContact O-CB 3.44Å; P223-N226 PolarHBondContact O-N 3.45Å
224A98.4Very high97.9Very high60 Ų6045 Ų4550%0.49626%0.264SS..G310 helixtrans-63.7-16176.400000114.2I222I222-A224 PolarHBondContact O-N 2.99Å; I222-A224 VanDerWaalsContact O-N 3.07Å
225L98.6Very high98Very high0 Ų047.3 Ų47.30%027%0.272CS..G310 helixtrans-101.84.2176.3-64.2178.5000113.1A162 H166 I171 V218 I222 P223 G227 K228 L229A162-L225 HydrophobicContact CB-CD1 3.96Å; H166-L225 HydrophobicContact CB-CD1 4.3Å; H166-L225 HydrophobicContact CB-CD2 4.09Å; H166-L225 VanDerWaalsContact ND1-CD2 3.32Å; H166-L225 WeakPolarHBondContact ND1-CD2 3.41Å; I171-L225 HydrophobicContact CB-CD2 3.84Å; I171-L225 HydrophobicContact CD1-CD1 4.46Å; I171-L225 HydrophobicContact CD1-CD2 4.37Å; I171-L225 HydrophobicContact CG2-CD2 4.3Å; V218-L225 HydrophobicContact CG1-CD1 4.06Å; I222-L225 HydrophobicContact CB-CB 4.38Å; I222-L225 HydrophobicContact CB-CD1 4.05Å; I222-L225 HydrophobicContact CB-CG 4.31Å; I222-L225 HydrophobicContact CD1-CD1 3.95Å; I222-L225 HydrophobicContact CG2-CB 4.27Å; I222-L225 HydrophobicContact CG2-CD1 3.76Å; I222-L225 HydrophobicContact CG2-CG 3.78Å; I222-L225 WeakPolarHBondContact O-CB 3.43Å; I222-L225 PolarHBondContact O-N 3.21Å; P223-L225 PolarHBondContact O-N 3.19Å; P223-L225 VanDerWaalsContact O-N 3.15Å; L225-G227 PolarHBondContact O-N 3.03Å; L225-K228 HydrophobicContact CD2-CD 4.27Å; L225-K228 WeakPolarHBondContact O-CB 3.48Å; L225-K228 PolarHBondContact O-N 2.64Å; L225-L229 HydrophobicContact CB-CD1 4.34Å; L225-L229 HydrophobicContact CD1-CD1 3.91Å
226N98.2Very high98.1Very high109 Ų10948.5 Ų48.558%0.58328%0.279SS*.THydrogen-bonded Turntrans-61127.3177.1-170.334.6000111P223 K228P223-N226 VanDerWaalsContact O-CB 3.26Å; P223-N226 WeakPolarHBondContact O-CB 3.44Å; P223-N226 PolarHBondContact O-N 3.45Å; N226-K228 PolarHBondContact O-N 3.16Å
227G98Very high98.2Very high79 Ų7944.5 Ų44.581%0.81427%0.268SS*.THydrogen-bonded Turntrans77.3-6.8-174.900000115.4L225L225-G227 PolarHBondContact O-N 3.03Å
228K98.7Very high98.2Very high60 Ų6046 Ų4626%0.26128%0.276SS..THydrogen-bonded Turntrans-94.3-18.2-179.4-62.8-172.4169.8-173.20114.1E170 I171 V172 E173 G174 L225 N226E170-K228 IonicContact OE1-NZ 3.08Å; I171-K228 WeakPolarHBondContact O-CD 3.41Å; I171-K228 PolarHBondContact O-NZ 3.48Å; V172-K228 WeakPolarHBondContact O-CD 3.48Å; E173-K228 CarbonylContact C-O 3.56Å; E173-K228 WeakPolarHBondContact CA-O 3.2Å; G174-K228 PolarHBondContact N-O 3.21Å; L225-K228 HydrophobicContact CD2-CD 4.27Å; L225-K228 WeakPolarHBondContact O-CB 3.48Å; L225-K228 PolarHBondContact O-N 2.64Å; N226-K228 PolarHBondContact O-N 3.16Å
229L98.6Very high98.2Very high9 Ų949.7 Ų49.75%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-126.9132.2-177.3-66.2178.6000111.9A162 I171 V218 L225 L246A162-L229 HydrophobicContact CB-CD1 4.14Å; I171-L229 HydrophobicContact CG2-CD2 4.18Å; V218-L229 HydrophobicContact CB-CD1 4.13Å; V218-L229 HydrophobicContact CG1-CD1 3.77Å; L225-L229 HydrophobicContact CB-CD1 4.34Å; L225-L229 HydrophobicContact CD1-CD1 3.91Å; L229-L246 HydrophobicContact CD2-CD1 4.03Å
230T98.5Very high98.3Very high73 Ų7349.8 Ų49.845%0.44830%0.3SS..EExtended strand (participates in β ladder)trans-149.6177.8167.3-166.60000109.6G174 L175 M176G174-T230 PolarHBondContact O-N 3.2Å; L175-T230 WeakPolarHBondContact CA-O 3.32Å; L175-T230 HydrophobicContact CD2-CG2 3.61Å; M176-T230 PolarHBondContact N-O 3.46Å
231G97.9Very high98.4Very high20 Ų2044.1 Ų44.121%0.20628%0.275CS..EExtended strand (participates in β ladder)trans179.1-173-175.900000115.2M176M176-G231 CarbonylContact O-C 3.51Å; M176-G231 WeakPolarHBondContact O-CA 3.48Å
232M98.5Very high98.5Very high61 Ų6144 Ų4430%0.327%0.274SS..EExtended strand (participates in β ladder)trans-144.9178.5179.965.789.766.600110.7M176 T177 T178 P209 F234M176-M232 PolarHBondContact O-N 3.43Å; T177-M232 WeakPolarHBondContact CA-O 3.27Å; T177-M232 HydrophobicContact CG2-SD 4.13Å; T178-M232 PolarHBondContact N-O 2.72Å; P209-M232 HydrophobicContact CB-CE 3.95Å; M232-F234 HydrophobicContact CE-CD2 4.37Å; M232-F234 HydrophobicContact CE-CE1 4.09Å; M232-F234 HydrophobicContact CE-CE2 3.87Å; M232-F234 HydrophobicContact CE-CZ 3.72Å; M232-F234 HydrophobicContact SD-CD2 3.82Å; M232-F234 HydrophobicContact SD-CE2 3.44Å; M232-F234 WeakPolarHBondContact SD-CE2 3.41Å; M232-F234 HydrophobicContact SD-CZ 3.94Å
233A98.6Very high98.5Very high2 Ų244.2 Ų44.22%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-132.5153.117900000111.4T178 P209 A210 T212T178-A233 HydrophobicContact CG2-CB 3.53Å; T178-A233 CarbonylContact O-C 3.56Å; T178-A233 VanDerWaalsContact O-CA 3.22Å; T178-A233 WeakPolarHBondContact O-CA 3.37Å; P209-A233 CarbonylContact C-O 3.49Å; P209-A233 WeakPolarHBondContact CA-O 3.41Å; A210-A233 HydrophobicContact CB-CB 4.34Å; A210-A233 PolarHBondContact N-O 3.31Å; A210-A233 PolarHBondContact O-N 3.01Å; T212-A233 HydrophobicContact CG2-CB 4.2Å
234F98.8Very high98.5Very high69 Ų6939.3 Ų39.330%0.30325%0.245SC..EExtended strand (participates in β ladder)trans-116120.1158.9-68-82000108T177 T178 H180 I207 I208 P209 M232T177-F234 HydrophobicContact CG2-CD2 3.65Å; T177-F234 HydrophobicContact CG2-CE2 3.95Å; T178-F234 PolarHBondContact O-N 3.3Å; H180-F234 PolarHBondContact N-O 2.94Å; I207-F234 HydrophobicContact CG2-CB 4.01Å; I207-F234 HydrophobicContact CG2-CD1 3.78Å; I207-F234 HydrophobicContact CG2-CG 4.2Å; I208-F234 CarbonylContact O-C 3.58Å; I208-F234 WeakPolarHBondContact O-CA 3.31Å; P209-F234 HydrophobicContact CB-CD1 3.8Å; P209-F234 HydrophobicContact CB-CE1 3.69Å; P209-F234 HydrophobicContact CG-CD1 4.04Å; P209-F234 HydrophobicContact CG-CE1 3.85Å; M232-F234 HydrophobicContact CE-CD2 4.37Å; M232-F234 HydrophobicContact CE-CE1 4.09Å; M232-F234 HydrophobicContact CE-CE2 3.87Å; M232-F234 HydrophobicContact CE-CZ 3.72Å; M232-F234 HydrophobicContact SD-CD2 3.82Å; M232-F234 HydrophobicContact SD-CE2 3.44Å; M232-F234 WeakPolarHBondContact SD-CE2 3.41Å; M232-F234 HydrophobicContact SD-CZ 3.94Å
235R98.3Very high98.6Very high50 Ų5038.4 Ų38.419%0.18923%0.231CC..EExtended strand (participates in β ladder)trans-79.1131168.7-49-68.3-169.5175.1-1108.9H180 Q186 I207 I208 A210H180-R235 PolarHBondContact CD2-NH1 3.4Å; H180-R235 VanDerWaalsContact CD2-NH1 3.27Å; H180-R235 PolarHBondContact CE1-NH1 3.06Å; H180-R235 PolarHBondContact ND1-NH1 3.39Å; H180-R235 PolarHBondContact NE2-NH1 3.22Å; H180-R235 CarbonylContact O-C 3.57Å; H180-R235 WeakPolarHBondContact O-CA 3.49Å; Q186-R235 VanDerWaalsContact NE2-CB 3.33Å; I207-R235 CarbonylContact C-O 3.38Å; I207-R235 WeakPolarHBondContact CA-O 3.33Å; I208-R235 HydrophobicContact CB-CB 4.1Å; I208-R235 PolarHBondContact N-O 2.91Å; I208-R235 PolarHBondContact O-N 2.78Å; A210-R235 HydrophobicContact CB-CG 4.4Å
236V98.7Very high98.6Very high24 Ų2438.4 Ų38.415%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-123.5161.7-176.9-65.60000112V179 H180 F182 I207 T238V179-V236 HydrophobicContact CG1-CB 4.33Å; V179-V236 HydrophobicContact CG1-CG1 3.61Å; V179-V236 HydrophobicContact CG1-CG2 3.74Å; H180-V236 PolarHBondContact O-N 3.48Å; F182-V236 PolarHBondContact N-O 2.89Å; I207-V236 HydrophobicContact CG1-CG1 4.39Å; I207-V236 HydrophobicContact CG2-CG1 4.27Å; V236-T238 PolarHBondContact O-N 2.98Å
237P98.4Very high98.6Very high61 Ų6134.7 Ų34.740%0.39621%0.213SC..SBendtrans-68.845.2-178.8-24.738.1000116.3
238T98.6Very high98.6Very high40 Ų4031 Ų3125%0.24518%0.175CC..  trans-116138.717351.10000109.7S181 F182 V236S181-T238 WeakPolarHBondContact CA-O 3.26Å; S181-T238 WeakPolarHBondContact CB-O 3.25Å; S181-T238 WeakPolarHBondContact OG-CB 3.36Å; S181-T238 PolarHBondContact OG-O 2.67Å; S181-T238 VanDerWaalsContact OG-O 3.13Å; S181-T238 PolarHBondContact OG-OG1 2.9Å; F182-T238 WeakPolarHBondContact CD1-O 3.31Å; F182-T238 VanDerWaalsContact CE1-C 3.44Å; F182-T238 VanDerWaalsContact CE1-O 3.28Å; F182-T238 WeakPolarHBondContact CE1-O 3.46Å; F182-T238 PolarHBondContact N-O 2.9Å; V236-T238 PolarHBondContact O-N 2.98Å
239P98Very high98.6Very high77 Ų7732.9 Ų32.950%0.518%0.18SC..SBendtrans-75.7-26.2-174.630.5-35.5000113.3F182F182-P239 HydrophobicContact CE1-CB 4.4Å; F182-P239 HydrophobicContact CZ-CB 3.92Å
240D98.8Very high98.7Very high6 Ų632.5 Ų32.53%0.03218%0.178CC..SBendtrans-161.9171.2178.3-163.920.4000111.1T52 H53 S181 D316 N317 E318T52-D240 HydrophobicContact CG2-CB 3.32Å; T52-D240 VanDerWaalsContact CG2-OD2 3.31Å; T52-D240 WeakPolarHBondContact CG2-OD2 3.48Å; H53-D240 IonicContact CE1-OD2 3.26Å; H53-D240 PolarHBondContact CE1-OD2 3.15Å; H53-D240 IonicContact NE2-OD2 3.98Å; H53-D240 PolarHBondContact NE2-OD2 3.48Å; S181-D240 VanDerWaalsContact OG-CA 3.31Å; S181-D240 WeakPolarHBondContact OG-CA 3.37Å; S181-D240 PolarHBondContact OG-N 3.08Å; S181-D240 PolarHBondContact OG-O 3.17Å; D240-D316 VanDerWaalsContact OD2-OD1 3.13Å; D240-N317 PolarHBondContact OD1-ND2 3.1Å; D240-N317 PolarHBondContact OD1-OD1 3.34Å; D240-E318 WeakPolarHBondContact OD1-CG 3.33Å
241V98.9Very high98.7Very high2 Ų230.8 Ų30.81%0.01218%0.175CC..  trans68.6135.2-168.9-177.60000111.7S181 S284 F287 V288 W314 Y315 D316 N317S181-V241 WeakPolarHBondContact CB-O 3.5Å; S181-V241 PolarHBondContact OG-O 3.25Å; V241-S284 WeakPolarHBondContact CB-O 3.24Å; V241-S284 VanDerWaalsContact CG1-O 3.3Å; V241-S284 WeakPolarHBondContact CG1-O 3.26Å; V241-S284 WeakPolarHBondContact CG2-O 3.4Å; V241-F287 HydrophobicContact CG1-CB 3.95Å; V241-F287 HydrophobicContact CG1-CD2 4.44Å; V241-F287 HydrophobicContact CG2-CB 4.11Å; V241-V288 HydrophobicContact CG2-CB 4.47Å; V241-V288 HydrophobicContact CG2-CG2 3.77Å; V241-W314 HydrophobicContact CG1-CE3 4.06Å; V241-Y315 WeakPolarHBondContact CA-O 3.47Å; V241-D316 HydrophobicContact CG2-CB 4.42Å; V241-N317 VanDerWaalsContact C-OD1 3.29Å; V241-N317 WeakPolarHBondContact CA-OD1 3.24Å; V241-N317 PolarHBondContact N-OD1 2.83Å
242S98.9Very high98.7Very high2 Ų236.5 Ų36.51%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-136.4166.8-178.7-650000109.6H180 S181 Y315 N317H180-S242 VanDerWaalsContact CA-OG 3.29Å; H180-S242 WeakPolarHBondContact CA-OG 3.23Å; H180-S242 PolarHBondContact CE1-OG 2.86Å; H180-S242 VanDerWaalsContact CG-OG 3.24Å; H180-S242 PolarHBondContact ND1-OG 3.24Å; S181-S242 PolarHBondContact N-OG 3.1Å; S242-Y315 VanDerWaalsContact C-CE1 3.48Å; S242-Y315 VanDerWaalsContact CB-CE1 3.44Å; S242-Y315 WeakPolarHBondContact CB-OH 3.23Å; S242-Y315 PolarHBondContact N-O 2.99Å; S242-Y315 VanDerWaalsContact O-CD1 3.23Å; S242-Y315 WeakPolarHBondContact O-CD1 3.41Å; S242-Y315 PolarHBondContact O-N 3.28Å; S242-N317 PolarHBondContact N-OD1 3.07Å; S242-N317 PolarHBondContact OG-OD1 2.81Å
243V98.9Very high98.7Very high22 Ų2235.1 Ų35.113%0.13320%0.196CC..EExtended strand (participates in β ladder)trans-134.5139.5179.462.50000110.7T178 V179 V312 S313 W314T178-V243 CarbonylContact C-O 3.56Å; T178-V243 WeakPolarHBondContact CA-O 3.32Å; T178-V243 WeakPolarHBondContact CB-O 3.4Å; T178-V243 PolarHBondContact OG1-O 2.83Å; V179-V243 HydrophobicContact CB-CG1 3.69Å; V179-V243 HydrophobicContact CG2-CG1 4.36Å; V179-V243 PolarHBondContact N-O 3.3Å; V179-V243 PolarHBondContact O-N 3.07Å; V243-V312 HydrophobicContact CG2-CG1 3.46Å; V243-V312 VanDerWaalsContact CG2-CG1 3.46Å; V243-S313 CarbonylContact C-O 3.6Å; V243-S313 WeakPolarHBondContact CA-O 3.36Å; V243-W314 HydrophobicContact CB-CD2 4.11Å; V243-W314 HydrophobicContact CB-CE3 3.63Å; V243-W314 HydrophobicContact CB-CH2 4.33Å; V243-W314 HydrophobicContact CB-CZ3 3.74Å; V243-W314 HydrophobicContact CG1-CE3 4.49Å; V243-W314 HydrophobicContact CG1-CH2 4.49Å; V243-W314 HydrophobicContact CG1-CZ3 4.11Å; V243-W314 HydrophobicContact CG2-CD2 4.02Å; V243-W314 HydrophobicContact CG2-CE3 4.07Å; V243-W314 HydrophobicContact CG2-CZ3 4.31Å
244V98.9Very high98.7Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-95.8128.9169.41650000108.2T154 C157 L158 M176 L246 V312 S313 Y315T154-V244 HydrophobicContact CG2-CG2 4Å; C157-V244 HydrophobicContact CB-CG2 4.04Å; L158-V244 HydrophobicContact CB-CG1 4.49Å; L158-V244 HydrophobicContact CD1-CG1 3.92Å; M176-V244 HydrophobicContact CG-CG1 3.86Å; V244-L246 HydrophobicContact CG1-CB 4.36Å; V244-V312 WeakPolarHBondContact O-CA 3.18Å; V244-S313 PolarHBondContact N-O 2.89Å; V244-S313 PolarHBondContact O-N 2.78Å; V244-Y315 HydrophobicContact CG2-CD1 4.32Å; V244-Y315 HydrophobicContact CG2-CE1 3.78Å
245D98.9Very high98.7Very high40 Ų4034 Ų3421%0.21420%0.196CC..EExtended strand (participates in β ladder)trans-105.7110.9161.2172.6-25.5000106.8M176 T177 T247 K310M176-D245 CarbonylContact C-O 3.56Å; M176-D245 VanDerWaalsContact CA-O 3.26Å; M176-D245 WeakPolarHBondContact CA-O 3.3Å; T177-D245 PolarHBondContact N-O 3.27Å; T177-D245 PolarHBondContact O-N 3.38Å; D245-T247 PolarHBondContact OD1-OG1 2.73Å; D245-T247 VanDerWaalsContact OD1-OG1 3.11Å; D245-K310 WeakPolarHBondContact OD1-CG 3.48Å; D245-K310 IonicContact OD1-NZ 2.71Å; D245-K310 PolarHBondContact OD1-NZ 3.09Å; D245-K310 IonicContact OD2-NZ 2.79Å; D245-K310 PolarHBondContact OD2-NZ 2.9Å
246L98.9Very high98.7Very high0 Ų033.5 Ų33.50%020%0.195CC..EExtended strand (participates in β ladder)trans-103.9113.1171.8173.563.9000109L158 L229 V244 C248 K310 L311L158-L246 HydrophobicContact CD1-CB 4.09Å; L158-L246 HydrophobicContact CD1-CD1 4.13Å; L158-L246 HydrophobicContact CD1-CD2 3.87Å; L158-L246 HydrophobicContact CD1-CG 4.24Å; L229-L246 HydrophobicContact CD2-CD1 4.03Å; V244-L246 HydrophobicContact CG1-CB 4.36Å; L246-C248 HydrophobicContact CD1-CB 4.25Å; L246-C248 HydrophobicContact CG-CB 4.19Å; L246-K310 CarbonylContact O-C 3.48Å; L246-K310 WeakPolarHBondContact O-CA 3.46Å; L246-L311 HydrophobicContact CB-CB 4.43Å; L246-L311 HydrophobicContact CD2-CD1 4.42Å; L246-L311 PolarHBondContact N-O 3.01Å; L246-L311 PolarHBondContact O-N 3.11Å
247T98.9Very high98.7Very high32 Ų3238 Ų3820%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-99.7116.2168.7-54.30000108.7G174 L175 D245 F308 V309 K310G174-T247 CarbonylContact C-O 3.59Å; G174-T247 VanDerWaalsContact CA-O 3.22Å; G174-T247 WeakPolarHBondContact CA-O 3.41Å; L175-T247 PolarHBondContact N-O 2.75Å; L175-T247 PolarHBondContact O-N 3.35Å; D245-T247 PolarHBondContact OD1-OG1 2.73Å; D245-T247 VanDerWaalsContact OD1-OG1 3.11Å; T247-F308 HydrophobicContact CG2-CE1 3.97Å; T247-F308 HydrophobicContact CG2-CE2 4.11Å; T247-F308 HydrophobicContact CG2-CZ 3.53Å; T247-V309 CarbonylContact C-O 3.54Å; T247-V309 WeakPolarHBondContact CA-O 3.41Å; T247-K310 PolarHBondContact OG1-NZ 3.33Å
248C98.8Very high98.7Very high1 Ų140.1 Ų40.11%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-138.7155.3-174.364.90000113.5I171 E173 L246 V309I171-C248 HydrophobicContact CG2-CB 4.3Å; E173-C248 WeakPolarHBondContact O-CA 3.36Å; E173-C248 WeakPolarHBondContact O-CB 3.46Å; L246-C248 HydrophobicContact CD1-CB 4.25Å; L246-C248 HydrophobicContact CG-CB 4.19Å; C248-V309 PolarHBondContact N-O 3.04Å; C248-V309 PolarHBondContact O-N 3.18Å
249R98.9Very high98.7Very high99 Ų9938.2 Ų38.237%0.37421%0.207SC..EExtended strand (participates in β ladder)trans-100.7127.3172-174162.660.192.9-4.5110.3V172 E173 N307 F308V172-R249 HydrophobicContact CB-CB 4.49Å; V172-R249 VanDerWaalsContact CG1-NH2 3.28Å; V172-R249 PolarHBondContact N-O 2.99Å; E173-R249 HydrophobicContact CG-CB 4.14Å; E173-R249 PolarHBondContact O-N 2.65Å; E173-R249 IonicContact OE1-CZ 3.21Å; E173-R249 IonicContact OE1-NE 3.65Å; E173-R249 PolarHBondContact OE1-NE 3.24Å; E173-R249 IonicContact OE1-NH2 2.75Å; E173-R249 PolarHBondContact OE1-NH2 3.21Å; R249-N307 CarbonylContact C-O 3.49Å; R249-N307 WeakPolarHBondContact CA-O 3.49Å; R249-N307 WeakPolarHBondContact CG-O 3.3Å; R249-F308 HydrophobicContact CB-CD2 4.18Å
250L98.9Very high98.7Very high2 Ų236 Ų361%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-90.8139.8179-50.3-178.1000110.7I165 F169 E170 A254 I259 N307 V309I165-L250 HydrophobicContact CG2-CD2 3.56Å; F169-L250 HydrophobicContact CB-CB 4.32Å; F169-L250 HydrophobicContact CB-CD1 4.11Å; F169-L250 HydrophobicContact CB-CD2 4.15Å; F169-L250 HydrophobicContact CB-CG 4.42Å; F169-L250 HydrophobicContact CG-CD1 4.42Å; E170-L250 CarbonylContact O-C 3.04Å; E170-L250 VanDerWaalsContact O-CA 3.31Å; E170-L250 WeakPolarHBondContact O-CA 3.43Å; L250-A254 HydrophobicContact CD1-CB 4.37Å; L250-I259 HydrophobicContact CD1-CD1 3.84Å; L250-I259 HydrophobicContact CD1-CG1 4.42Å; L250-N307 PolarHBondContact N-O 3.45Å; L250-N307 PolarHBondContact O-ND2 3.19Å; L250-V309 HydrophobicContact CD1-CG1 4.27Å; L250-V309 HydrophobicContact CD2-CG1 4.26Å; L250-V309 HydrophobicContact CG-CG1 4.24Å
251G98.5Very high98.7Very high36 Ų3638.4 Ų38.437%0.37121%0.21SC..SBendtrans-77.5-45.9175.800000110.8F169 E170F169-G251 PolarHBondContact O-N 3.19Å; F169-G251 VanDerWaalsContact O-N 3.15Å; E170-G251 PolarHBondContact O-N 2.79Å
252K98.4Very high98.7Very high140 Ų14039 Ų3961%0.60922%0.215SC*.SBendtrans-96.7113.1168-176.9-177178.5-174.90108.9F169F169-K252 PolarHBondContact O-N 2.83Å
253G98.1Very high98.7Very high33 Ų3338.9 Ų38.934%0.3422%0.215SC..  trans-61147178.500000112.2N306 N307G253-N306 CarbonylContact C-O 3.45Å; G253-N306 WeakPolarHBondContact CA-O 3.15Å; G253-N307 WeakPolarHBondContact CA-ND2 3.48Å; G253-N307 PolarHBondContact N-ND2 3.11Å
254A98.6Very high98.7Very high2 Ų242.5 Ų42.52%0.01723%0.229CC..  trans-148.9147.1-179.800000110.8F169 L250 E258 I259 N306F169-A254 HydrophobicContact CD1-CB 3.58Å; F169-A254 HydrophobicContact CE1-CB 3.47Å; F169-A254 VanDerWaalsContact CE1-CB 3.47Å; F169-A254 HydrophobicContact CG-CB 4.28Å; F169-A254 HydrophobicContact CZ-CB 4.09Å; L250-A254 HydrophobicContact CD1-CB 4.37Å; A254-E258 HydrophobicContact CB-CB 4.24Å; A254-I259 HydrophobicContact CB-CD1 4.49Å; A254-I259 HydrophobicContact CB-CG1 4.04Å; A254-N306 PolarHBondContact N-O 2.98Å; A254-N306 WeakPolarHBondContact O-CA 3.48Å
255S98.6Very high98.7Very high44 Ų4445.6 Ų45.631%0.30825%0.254SS..  trans-67.3156.3164.565.30000110.6E257 E258 I259S255-E257 PolarHBondContact O-N 3.14Å; S255-E258 WeakPolarHBondContact CB-OE2 3.49Å; S255-E258 PolarHBondContact N-OE2 2.9Å; S255-E258 PolarHBondContact O-N 2.86Å; S255-E258 VanDerWaalsContact O-N 3.12Å; S255-E258 VanDerWaalsContact OG-CG 3.27Å; S255-E258 WeakPolarHBondContact OG-CG 3.41Å; S255-E258 PolarHBondContact OG-N 3.42Å; S255-E258 PolarHBondContact OG-OE2 2.83Å; S255-I259 PolarHBondContact O-N 2.86Å; S255-I259 VanDerWaalsContact O-N 3.14Å
256Y98.7Very high98.7Very high41 Ų4144.2 Ų44.216%0.16125%0.248CC..Hα-helixtrans-62.4-31.8177.4-166.3-118.8000112.4I259 K260 A298 G301 S303 V309 L311Y256-I259 HydrophobicContact CD2-CD1 4.49Å; Y256-I259 PolarHBondContact O-N 2.84Å; Y256-K260 HydrophobicContact CD1-CD 4.17Å; Y256-K260 HydrophobicContact CD1-CG 4.32Å; Y256-K260 HydrophobicContact CE1-CD 3.92Å; Y256-K260 HydrophobicContact CE1-CG 4.11Å; Y256-K260 WeakPolarHBondContact O-CG 3.11Å; Y256-K260 PolarHBondContact O-N 3.4Å; Y256-A298 WeakPolarHBondContact CE1-O 3.26Å; Y256-A298 PolarHBondContact OH-O 3.39Å; Y256-G301 WeakPolarHBondContact OH-CA 3.47Å; Y256-G301 PolarHBondContact OH-N 2.96Å; Y256-S303 WeakPolarHBondContact CB-OG 3.34Å; Y256-S303 VanDerWaalsContact CD2-OG 3.29Å; Y256-S303 WeakPolarHBondContact CD2-OG 3.44Å; Y256-V309 HydrophobicContact CD2-CG2 4.08Å; Y256-V309 HydrophobicContact CE2-CG2 4.19Å; Y256-L311 HydrophobicContact CE2-CD2 4.11Å
257E98.6Very high98.7Very high117 Ų11744.7 Ų44.755%0.54725%0.252SS..Hα-helixtrans-63.2-41173.4-64.4-55.2137.700112.6S255 I259 K260 A261S255-E257 PolarHBondContact O-N 3.14Å; E257-I259 VanDerWaalsContact C-N 3.33Å; E257-I259 PolarHBondContact O-N 2.85Å; E257-K260 PolarHBondContact O-N 3.08Å; E257-K260 WeakPolarHBondContact OE1-CE 3.45Å; E257-K260 IonicContact OE1-NZ 3.29Å; E257-K260 PolarHBondContact OE1-NZ 3.33Å; E257-K260 WeakPolarHBondContact OE2-CE 3.43Å; E257-K260 IonicContact OE2-NZ 2.72Å; E257-K260 PolarHBondContact OE2-NZ 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.37Å; E257-A261 PolarHBondContact O-N 3.5Å
258E98.7Very high98.7Very high106 Ų10647.4 Ų47.450%0.49527%0.273SS..Hα-helixtrans-65.1-38.1175.2-73.3165.6122.900111.7F169 A254 S255 A261 A262F169-E258 HydrophobicContact CZ-CB 4.4Å; A254-E258 HydrophobicContact CB-CB 4.24Å; S255-E258 WeakPolarHBondContact CB-OE2 3.49Å; S255-E258 PolarHBondContact N-OE2 2.9Å; S255-E258 PolarHBondContact O-N 2.86Å; S255-E258 VanDerWaalsContact O-N 3.12Å; S255-E258 VanDerWaalsContact OG-CG 3.27Å; S255-E258 WeakPolarHBondContact OG-CG 3.41Å; S255-E258 PolarHBondContact OG-N 3.42Å; S255-E258 PolarHBondContact OG-OE2 2.83Å; E258-A261 PolarHBondContact O-N 2.88Å; E258-A262 WeakPolarHBondContact O-CB 3.49Å; E258-A262 PolarHBondContact O-N 2.99Å
259I98.8Very high98.6Very high1 Ų149.2 Ų49.21%0.00529%0.291CS..Hα-helixtrans-63-49.3174.8-64.3169.2000110.3I165 F169 L250 A254 S255 Y256 E257 A261 A262 V263 V309 L311I165-I259 HydrophobicContact CD1-CG2 3.67Å; F169-I259 HydrophobicContact CD2-CG1 4.37Å; F169-I259 HydrophobicContact CE2-CB 4.42Å; F169-I259 HydrophobicContact CE2-CG1 3.98Å; F169-I259 HydrophobicContact CZ-CG1 4.31Å; L250-I259 HydrophobicContact CD1-CD1 3.84Å; L250-I259 HydrophobicContact CD1-CG1 4.42Å; A254-I259 HydrophobicContact CB-CD1 4.49Å; A254-I259 HydrophobicContact CB-CG1 4.04Å; S255-I259 PolarHBondContact O-N 2.86Å; S255-I259 VanDerWaalsContact O-N 3.14Å; Y256-I259 HydrophobicContact CD2-CD1 4.49Å; Y256-I259 PolarHBondContact O-N 2.84Å; E257-I259 VanDerWaalsContact C-N 3.33Å; E257-I259 PolarHBondContact O-N 2.85Å; I259-A261 VanDerWaalsContact C-N 3.33Å; I259-A261 PolarHBondContact O-N 3.21Å; I259-A262 PolarHBondContact O-N 2.95Å; I259-V263 WeakPolarHBondContact O-CG2 3.27Å; I259-V263 PolarHBondContact O-N 2.81Å; I259-V309 HydrophobicContact CD1-CB 4.29Å; I259-V309 HydrophobicContact CD1-CG1 4.23Å; I259-V309 HydrophobicContact CD1-CG2 4.01Å; I259-L311 HydrophobicContact CG2-CD2 3.82Å
260K98.8Very high98.6Very high29 Ų2950.1 Ų50.113%0.12631%0.31CS..Hα-helixtrans-56.9-46.1175.9-73.7-169.1-62.6170.20111.8Y256 E257 A262 V263 K264 Y277 F296 A298Y256-K260 HydrophobicContact CD1-CD 4.17Å; Y256-K260 HydrophobicContact CD1-CG 4.32Å; Y256-K260 HydrophobicContact CE1-CD 3.92Å; Y256-K260 HydrophobicContact CE1-CG 4.11Å; Y256-K260 WeakPolarHBondContact O-CG 3.11Å; Y256-K260 PolarHBondContact O-N 3.4Å; E257-K260 PolarHBondContact O-N 3.08Å; E257-K260 WeakPolarHBondContact OE1-CE 3.45Å; E257-K260 IonicContact OE1-NZ 3.29Å; E257-K260 PolarHBondContact OE1-NZ 3.33Å; E257-K260 WeakPolarHBondContact OE2-CE 3.43Å; E257-K260 IonicContact OE2-NZ 2.72Å; E257-K260 PolarHBondContact OE2-NZ 3.23Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 2.78Å; K260-V263 PolarHBondContact O-N 3.49Å; K260-K264 VanDerWaalsContact O-CB 3.31Å; K260-K264 WeakPolarHBondContact O-CB 3.18Å; K260-K264 PolarHBondContact O-N 3.41Å; K260-Y277 HydrophobicContact CB-CE2 4.08Å; K260-Y277 HydrophobicContact CG-CE2 4.4Å; K260-F296 HydrophobicContact CG-CE1 4.16Å; K260-A298 HydrophobicContact CD-CB 3.73Å; K260-A298 HydrophobicContact CG-CB 4.26Å
261A98.8Very high98.6Very high58 Ų5850.4 Ų50.448%0.47931%0.311SS..Hα-helixtrans-61.1-41.3178.800000112.2E257 E258 I259 A265E257-A261 WeakPolarHBondContact O-CB 3.37Å; E257-A261 PolarHBondContact O-N 3.5Å; E258-A261 PolarHBondContact O-N 2.88Å; I259-A261 VanDerWaalsContact C-N 3.33Å; I259-A261 PolarHBondContact O-N 3.21Å; A261-A265 VanDerWaalsContact O-CB 3.27Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 3.14Å
262A98.8Very high98.6Very high14 Ų1456.5 Ų56.512%0.11633%0.328CS..Hα-helixtrans-62.2-45.417600000112.3V164 K168 F169 E258 I259 K260 A266V164-A262 HydrophobicContact CG1-CB 4.33Å; K168-A262 HydrophobicContact CG-CB 4.08Å; F169-A262 HydrophobicContact CE2-CB 3.8Å; F169-A262 HydrophobicContact CZ-CB 3.97Å; E258-A262 WeakPolarHBondContact O-CB 3.49Å; E258-A262 PolarHBondContact O-N 2.99Å; I259-A262 PolarHBondContact O-N 2.95Å; K260-A262 VanDerWaalsContact C-N 3.34Å; K260-A262 PolarHBondContact O-N 2.78Å; A262-A266 PolarHBondContact O-N 2.79Å
263V98.9Very high98.5Very high0 Ų051.4 Ų51.40%032%0.315CS..Hα-helixtrans-66.4-46.1178.6179.30000111.1L161 V164 I165 I259 K260 A265 A266 A267 L275 Y277 F296L161-V263 HydrophobicContact CD1-CG2 3.99Å; V164-V263 HydrophobicContact CG1-CG2 4.24Å; I165-V263 HydrophobicContact CD1-CG2 4.1Å; I259-V263 WeakPolarHBondContact O-CG2 3.27Å; I259-V263 PolarHBondContact O-N 2.81Å; K260-V263 PolarHBondContact O-N 3.49Å; V263-A265 VanDerWaalsContact C-N 3.32Å; V263-A265 PolarHBondContact O-N 3.48Å; V263-A266 PolarHBondContact O-N 3.03Å; V263-A267 WeakPolarHBondContact O-CB 3.4Å; V263-A267 PolarHBondContact O-N 2.93Å; V263-L275 HydrophobicContact CG1-CD2 4.12Å; V263-Y277 HydrophobicContact CB-CD2 4.39Å; V263-Y277 HydrophobicContact CG1-CD2 4.14Å; V263-F296 HydrophobicContact CB-CD1 4.25Å; V263-F296 HydrophobicContact CB-CG 4.39Å; V263-F296 HydrophobicContact CG1-CB 3.56Å; V263-F296 HydrophobicContact CG1-CD1 3.79Å; V263-F296 HydrophobicContact CG1-CD2 4.25Å; V263-F296 HydrophobicContact CG1-CG 3.6Å
264K98.8Very high98.6Very high98 Ų9850.6 Ų50.643%0.42630%0.303SS..Hα-helixtrans-59.7-40.9177.3-168.9172.2-169.61650112.5K260 S268 Y277 E279K260-K264 VanDerWaalsContact O-CB 3.31Å; K260-K264 WeakPolarHBondContact O-CB 3.18Å; K260-K264 PolarHBondContact O-N 3.41Å; K264-S268 WeakPolarHBondContact O-CB 3.38Å; K264-S268 PolarHBondContact O-N 2.84Å; K264-S268 PolarHBondContact O-OG 3.4Å; K264-Y277 HydrophobicContact CB-CD1 4.26Å; K264-Y277 HydrophobicContact CB-CD2 3.85Å; K264-Y277 HydrophobicContact CB-CE1 4.42Å; K264-Y277 HydrophobicContact CB-CE2 4.03Å; K264-Y277 HydrophobicContact CB-CG 3.98Å; K264-Y277 HydrophobicContact CD-CD1 4.05Å; K264-Y277 HydrophobicContact CD-CE1 3.81Å; K264-Y277 HydrophobicContact CG-CD1 3.97Å; K264-Y277 HydrophobicContact CG-CD2 4.45Å; K264-Y277 HydrophobicContact CG-CE1 4.21Å; K264-Y277 HydrophobicContact CG-CG 4.1Å; K264-E279 IonicContact NZ-OE1 2.99Å
265A98.8Very high98.6Very high65 Ų6550.6 Ų50.654%0.53730%0.302SS..Hα-helixtrans-65.7-42176.100000112A261 V263 G269A261-A265 VanDerWaalsContact O-CB 3.27Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 3.14Å; V263-A265 VanDerWaalsContact C-N 3.32Å; V263-A265 PolarHBondContact O-N 3.48Å; A265-G269 PolarHBondContact O-N 2.63Å; A265-G269 VanDerWaalsContact O-N 3.13Å
266A98.8Very high98.6Very high11 Ų1152 Ų529%0.09130%0.304CS..Hα-helixtrans-65.9-44.6176.600000112.2V164 A262 V263 S268 G269 P270 L271 L275V164-A266 HydrophobicContact CB-CB 4.36Å; V164-A266 HydrophobicContact CG1-CB 3.99Å; V164-A266 HydrophobicContact CG2-CB 3.37Å; A262-A266 PolarHBondContact O-N 2.79Å; V263-A266 PolarHBondContact O-N 3.03Å; A266-S268 VanDerWaalsContact C-N 3.31Å; A266-S268 PolarHBondContact O-N 3.08Å; A266-G269 CarbonylContact O-C 3.51Å; A266-G269 PolarHBondContact O-N 3.35Å; A266-P270 WeakPolarHBondContact O-CD 3.44Å; A266-L271 HydrophobicContact CB-CD1 4.24Å; A266-L271 PolarHBondContact O-N 2.93Å; A266-L275 HydrophobicContact CB-CD2 4.3Å
267A98.7Very high98.6Very high10 Ų1052.1 Ų52.18%0.08330%0.304CS..Hα-helixtrans-61.9-36.2177.600000112.8V263 G269 K272 L275V263-A267 WeakPolarHBondContact O-CB 3.4Å; V263-A267 PolarHBondContact O-N 2.93Å; A267-G269 VanDerWaalsContact C-N 3.34Å; A267-K272 WeakPolarHBondContact O-CA 3.47Å; A267-K272 WeakPolarHBondContact O-CB 3.41Å; A267-L275 VanDerWaalsContact CA-O 3.26Å; A267-L275 WeakPolarHBondContact CA-O 3.36Å; A267-L275 HydrophobicContact CB-CG 4.23Å; A267-L275 VanDerWaalsContact CB-O 3.23Å; A267-L275 WeakPolarHBondContact CB-O 3.36Å
268S98.1Very high98.6Very high89 Ų8947.4 Ų47.462%0.62228%0.284SS*.Hα-helixtrans-84.5-8.9178.3-54.50000113.6K264 A266K264-S268 WeakPolarHBondContact O-CB 3.38Å; K264-S268 PolarHBondContact O-N 2.84Å; K264-S268 PolarHBondContact O-OG 3.4Å; A266-S268 VanDerWaalsContact C-N 3.31Å; A266-S268 PolarHBondContact O-N 3.08Å
269G98.3Very high98.6Very high39 Ų3946.3 Ų46.340%0.40228%0.279SS..THydrogen-bonded Turntrans-124.7-111.2-173.500000112.2A265 A266 A267 L271 K272A265-G269 PolarHBondContact O-N 2.63Å; A265-G269 VanDerWaalsContact O-N 3.13Å; A266-G269 CarbonylContact O-C 3.51Å; A266-G269 PolarHBondContact O-N 3.35Å; A267-G269 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 3.42Å; G269-L271 VanDerWaalsContact O-N 3.15Å; G269-K272 WeakPolarHBondContact O-CB 3.33Å; G269-K272 PolarHBondContact O-N 2.9Å
270P97.7Very high98.6Very high117 Ų11751.7 Ų51.776%0.7631%0.307SS*.THydrogen-bonded Turntrans-63.9-22-169.626.3-36.1000114.6A266A266-P270 WeakPolarHBondContact O-CD 3.44Å
271L98.6Very high98.6Very high8 Ų857.6 Ų57.64%0.04234%0.335CS..THydrogen-bonded Turntrans-109.717.3-179-60.2179.8000113G135 P160 V164 A266 G269 G273 I274 L275G135-L271 WeakPolarHBondContact O-CD2 3.28Å; P160-L271 HydrophobicContact CB-CD1 4.21Å; V164-L271 HydrophobicContact CG2-CD1 3.59Å; A266-L271 HydrophobicContact CB-CD1 4.24Å; A266-L271 PolarHBondContact O-N 2.93Å; G269-L271 PolarHBondContact O-N 3.42Å; G269-L271 VanDerWaalsContact O-N 3.15Å; L271-G273 PolarHBondContact O-N 2.79Å; L271-I274 WeakPolarHBondContact O-CA 3.49Å; L271-I274 WeakPolarHBondContact O-CB 3.3Å; L271-I274 PolarHBondContact O-N 3.41Å; L271-L275 HydrophobicContact CB-CB 3.74Å; L271-L275 HydrophobicContact CD1-CB 4.13Å; L271-L275 HydrophobicContact CD1-CD2 3.78Å; L271-L275 PolarHBondContact O-N 3.43Å
272K98.5Very high98.6Very high165 Ų16556 Ų5672%0.71732%0.32SS*.THydrogen-bonded Turntrans-56.4126.2178.8-175176.1-179.7176.50111.6A267 G269 I274A267-K272 WeakPolarHBondContact O-CA 3.47Å; A267-K272 WeakPolarHBondContact O-CB 3.41Å; G269-K272 WeakPolarHBondContact O-CB 3.33Å; G269-K272 PolarHBondContact O-N 2.9Å; K272-I274 VanDerWaalsContact C-N 3.27Å
273G97.3Very high98.6Very high33 Ų3359.1 Ų59.134%0.3434%0.337SS..THydrogen-bonded Turntrans80.80.9-176.200000115L271 R324L271-G273 PolarHBondContact O-N 2.79Å; G273-R324 PolarHBondContact O-NH2 3.45Å
274I98.8Very high98.6Very high16 Ų1660.9 Ų60.98%0.08235%0.349CS..THydrogen-bonded Turntrans-112.7-51.9171.2-55-60.7000109.5V134 P160 L271 K272 S293 S294V134-I274 HydrophobicContact CB-CD1 4.33Å; V134-I274 HydrophobicContact CG1-CD1 3.93Å; V134-I274 WeakPolarHBondContact O-CG2 3.29Å; P160-I274 HydrophobicContact CB-CG2 4.3Å; P160-I274 HydrophobicContact CG-CG2 3.89Å; L271-I274 WeakPolarHBondContact O-CA 3.49Å; L271-I274 WeakPolarHBondContact O-CB 3.3Å; L271-I274 PolarHBondContact O-N 3.41Å; K272-I274 VanDerWaalsContact C-N 3.27Å; I274-S293 WeakPolarHBondContact O-CB 2.91Å; I274-S293 PolarHBondContact O-N 3.29Å; I274-S294 PolarHBondContact O-N 3.22Å; I274-S294 VanDerWaalsContact O-N 3.08Å
275L98.9Very high98.6Very high1 Ų159.9 Ų59.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-111.5127.5175.8-179.262.6000109.2P160 V164 V263 A266 A267 L271 S294P160-L275 HydrophobicContact CB-CB 4.47Å; V164-L275 HydrophobicContact CG2-CD2 3.94Å; V263-L275 HydrophobicContact CG1-CD2 4.12Å; A266-L275 HydrophobicContact CB-CD2 4.3Å; A267-L275 VanDerWaalsContact CA-O 3.26Å; A267-L275 WeakPolarHBondContact CA-O 3.36Å; A267-L275 HydrophobicContact CB-CG 4.23Å; A267-L275 VanDerWaalsContact CB-O 3.23Å; A267-L275 WeakPolarHBondContact CB-O 3.36Å; L271-L275 HydrophobicContact CB-CB 3.74Å; L271-L275 HydrophobicContact CD1-CB 4.13Å; L271-L275 HydrophobicContact CD1-CD2 3.78Å; L271-L275 PolarHBondContact O-N 3.43Å; L275-S294 CarbonylContact C-O 3.41Å; L275-S294 VanDerWaalsContact CA-O 3.28Å; L275-S294 WeakPolarHBondContact CA-O 3.39Å; L275-S294 VanDerWaalsContact CD1-OG 3.24Å; L275-S294 WeakPolarHBondContact CD1-OG 3.41Å
276E98.8Very high98.6Very high75 Ų7561.3 Ų61.335%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-113.3167.7171.6-75.8175.2-157.300110.6S292 S294 I295 F296E276-S292 WeakPolarHBondContact CG-OG 3.32Å; E276-S292 VanDerWaalsContact OE1-CB 3.32Å; E276-S292 WeakPolarHBondContact OE1-CB 3.34Å; E276-S292 PolarHBondContact OE1-OG 3.28Å; E276-S294 PolarHBondContact N-O 3.19Å; E276-I295 HydrophobicContact CB-CB 4.2Å; E276-I295 HydrophobicContact CB-CG1 3.94Å; E276-I295 HydrophobicContact CB-CG2 3.89Å; E276-F296 PolarHBondContact O-N 3.05Å
277Y98.8Very high98.6Very high42 Ų4261.7 Ų61.717%0.16535%0.353CS..EExtended strand (participates in β ladder)trans-139.1131.7-177.9174.4-81.5000108.5K260 V263 K264 E279 F296 A298K260-Y277 HydrophobicContact CB-CE2 4.08Å; K260-Y277 HydrophobicContact CG-CE2 4.4Å; V263-Y277 HydrophobicContact CB-CD2 4.39Å; V263-Y277 HydrophobicContact CG1-CD2 4.14Å; K264-Y277 HydrophobicContact CB-CD1 4.26Å; K264-Y277 HydrophobicContact CB-CD2 3.85Å; K264-Y277 HydrophobicContact CB-CE1 4.42Å; K264-Y277 HydrophobicContact CB-CE2 4.03Å; K264-Y277 HydrophobicContact CB-CG 3.98Å; K264-Y277 HydrophobicContact CD-CD1 4.05Å; K264-Y277 HydrophobicContact CD-CE1 3.81Å; K264-Y277 HydrophobicContact CG-CD1 3.97Å; K264-Y277 HydrophobicContact CG-CD2 4.45Å; K264-Y277 HydrophobicContact CG-CE1 4.21Å; K264-Y277 HydrophobicContact CG-CG 4.1Å; Y277-E279 HydrophobicContact CE1-CG 3.66Å; Y277-E279 WeakPolarHBondContact CE1-OE1 3.4Å; Y277-E279 VanDerWaalsContact CZ-OE1 3.29Å; Y277-E279 WeakPolarHBondContact OH-CG 3.25Å; Y277-E279 PolarHBondContact OH-OE1 3.48Å; Y277-F296 AromaticContact CD2-CD1 3.58Å; Y277-F296 HydrophobicContact CD2-CD1 3.58Å; Y277-F296 HydrophobicContact CD2-CE1 4.22Å; Y277-F296 AromaticContact CE2-CD1 3.74Å; Y277-F296 HydrophobicContact CE2-CD1 3.74Å; Y277-F296 AromaticContact CE2-CE1 3.92Å; Y277-F296 HydrophobicContact CE2-CE1 3.92Å; Y277-A298 HydrophobicContact CE1-CB 4.41Å; Y277-A298 HydrophobicContact CE2-CB 3.92Å; Y277-A298 WeakPolarHBondContact OH-CB 3.24Å
278T98.8Very high98.6Very high19 Ų1964.2 Ų64.212%0.11737%0.367CS..EExtended strand (participates in β ladder)trans-134.4149.2174.6-172.90000112D280 V282 F287 I295 F296 A298T278-D280 PolarHBondContact OG1-N 3.46Å; T278-D280 VanDerWaalsContact OG1-N 3.12Å; T278-V282 HydrophobicContact CG2-CG1 4.34Å; T278-V282 HydrophobicContact CG2-CG2 4.17Å; T278-F287 HydrophobicContact CG2-CZ 4.45Å; T278-I295 HydrophobicContact CG2-CG2 4.12Å; T278-F296 PolarHBondContact N-O 2.93Å; T278-A298 WeakPolarHBondContact O-CB 3.27Å; T278-A298 PolarHBondContact O-N 3.15Å
279E98.7Very high98.6Very high82 Ų8261.4 Ų61.438%0.38335%0.353SS..  trans-1185.9170-76.5169.2-151.100111.5K264 Y277 A298 K299K264-E279 IonicContact NZ-OE1 2.99Å; Y277-E279 HydrophobicContact CE1-CG 3.66Å; Y277-E279 WeakPolarHBondContact CE1-OE1 3.4Å; Y277-E279 VanDerWaalsContact CZ-OE1 3.29Å; Y277-E279 WeakPolarHBondContact OH-CG 3.25Å; Y277-E279 PolarHBondContact OH-OE1 3.48Å; E279-A298 HydrophobicContact CG-CB 3.64Å; E279-K299 WeakPolarHBondContact O-CD 3.33Å; E279-K299 WeakPolarHBondContact O-CE 3.35Å; E279-K299 PolarHBondContact O-NZ 3.37Å
280D98.7Very high98.6Very high114 Ų11460.5 Ų60.561%0.6134%0.34SS*.SBendtrans-75.1156178.1-63.7-24.3000110.6T278 V282T278-D280 PolarHBondContact OG1-N 3.46Å; T278-D280 VanDerWaalsContact OG1-N 3.12Å; D280-V282 HydrophobicContact CB-CG1 3.85Å; D280-V282 PolarHBondContact O-N 3Å
281E98.5Very high98.6Very high153 Ų15357.9 Ų57.972%0.71532%0.322SS*.  trans-7972.1174.1-58.9-63.8149.400109.8K299E281-K299 WeakPolarHBondContact OE1-CD 3.3Å; E281-K299 WeakPolarHBondContact OE1-CE 3.3Å; E281-K299 IonicContact OE1-NZ 3.67Å; E281-K299 PolarHBondContact OE1-NZ 2.85Å
282V98.8Very high98.6Very high25 Ų2557.5 Ų57.515%0.15232%0.32CS..  trans-84.7158.7-174-65.40000113.2T278 D280 D286 F287 D297T278-V282 HydrophobicContact CG2-CG1 4.34Å; T278-V282 HydrophobicContact CG2-CG2 4.17Å; D280-V282 HydrophobicContact CB-CG1 3.85Å; D280-V282 PolarHBondContact O-N 3Å; V282-D286 WeakPolarHBondContact CA-OD2 3.33Å; V282-F287 HydrophobicContact CB-CE2 3.86Å; V282-F287 HydrophobicContact CB-CZ 3.78Å; V282-F287 HydrophobicContact CG1-CZ 3.96Å; V282-F287 HydrophobicContact CG2-CE2 3.79Å; V282-F287 HydrophobicContact CG2-CZ 3.69Å; V282-D297 WeakPolarHBondContact CG2-OD2 3.4Å
283V98.8Very high98.6Very high80 Ų8049.8 Ų49.849%0.48529%0.287SS..  trans-131.7174.4168.6-63.90000110.8S285 D286V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 2.75Å; V283-D286 WeakPolarHBondContact CG2-OD2 3.5Å; V283-D286 PolarHBondContact N-OD2 3.36Å; V283-D286 WeakPolarHBondContact O-CB 3.28Å; V283-D286 PolarHBondContact O-N 3.38Å; V283-D286 VanDerWaalsContact O-N 3.11Å
284S98.9Very high98.7Very high36 Ų3648.2 Ų48.225%0.25227%0.271SS..G310 helixtrans-56.1-39.7-173.461.70000113.9V241 D286 F287V241-S284 WeakPolarHBondContact CB-O 3.24Å; V241-S284 VanDerWaalsContact CG1-O 3.3Å; V241-S284 WeakPolarHBondContact CG1-O 3.26Å; V241-S284 WeakPolarHBondContact CG2-O 3.4Å; S284-D286 PolarHBondContact O-N 3.33Å; S284-F287 PolarHBondContact O-N 3.03Å
285S98.7Very high98.7Very high77 Ų7747.6 Ų47.654%0.53827%0.267SS..G310 helixtrans-64.1-22.5-177.850.10000113.9V283 F287 V288V283-S285 VanDerWaalsContact C-N 3.3Å; V283-S285 PolarHBondContact O-N 2.75Å; S285-F287 PolarHBondContact O-N 3Å; S285-V288 PolarHBondContact O-N 3.43Å
286D98.7Very high98.7Very high96 Ų9647.5 Ų47.551%0.51327%0.267SS..G310 helixtrans-70.5-14.8-179-56.9-34.5000112.4V282 V283 S284V282-D286 WeakPolarHBondContact CA-OD2 3.33Å; V283-D286 WeakPolarHBondContact CG2-OD2 3.5Å; V283-D286 PolarHBondContact N-OD2 3.36Å; V283-D286 WeakPolarHBondContact O-CB 3.28Å; V283-D286 PolarHBondContact O-N 3.38Å; V283-D286 VanDerWaalsContact O-N 3.11Å; S284-D286 PolarHBondContact O-N 3.33Å
287F98.8Very high98.7Very high18 Ų1844.3 Ų44.38%0.07925%0.253CS..G310 helixtrans-105.53.9-178.8-57-66.1000114.2V241 T278 V282 S284 S285 G289 S290 I295 W314V241-F287 HydrophobicContact CG1-CB 3.95Å; V241-F287 HydrophobicContact CG1-CD2 4.44Å; V241-F287 HydrophobicContact CG2-CB 4.11Å; T278-F287 HydrophobicContact CG2-CZ 4.45Å; V282-F287 HydrophobicContact CB-CE2 3.86Å; V282-F287 HydrophobicContact CB-CZ 3.78Å; V282-F287 HydrophobicContact CG1-CZ 3.96Å; V282-F287 HydrophobicContact CG2-CE2 3.79Å; V282-F287 HydrophobicContact CG2-CZ 3.69Å; S284-F287 PolarHBondContact O-N 3.03Å; S285-F287 PolarHBondContact O-N 3Å; F287-G289 PolarHBondContact O-N 3.24Å; F287-S290 WeakPolarHBondContact O-CB 3.47Å; F287-S290 PolarHBondContact O-N 3.43Å; F287-I295 HydrophobicContact CD1-CB 4.44Å; F287-I295 HydrophobicContact CD1-CD1 3.93Å; F287-I295 HydrophobicContact CD1-CG1 4.16Å; F287-I295 HydrophobicContact CD1-CG2 4.49Å; F287-I295 HydrophobicContact CE1-CB 4.08Å; F287-I295 HydrophobicContact CE1-CD1 4.42Å; F287-I295 HydrophobicContact CE1-CG1 4.21Å; F287-I295 HydrophobicContact CE1-CG2 3.71Å; F287-I295 HydrophobicContact CG-CD1 4.43Å; F287-I295 HydrophobicContact CZ-CG2 4.18Å; F287-W314 HydrophobicContact CD2-CB 3.59Å; F287-W314 AromaticContact CD2-CD2 3.82Å; F287-W314 HydrophobicContact CD2-CD2 3.82Å; F287-W314 HydrophobicContact CD2-CE3 4.17Å; F287-W314 AromaticContact CD2-CG 3.57Å; F287-W314 HydrophobicContact CD2-CG 3.57Å; F287-W314 HydrophobicContact CE2-CB 3.64Å; F287-W314 AromaticContact CE2-CD1 3.31Å; F287-W314 AromaticContact CE2-CD2 3.61Å; F287-W314 HydrophobicContact CE2-CD2 3.61Å; F287-W314 AromaticContact CE2-CE2 3.93Å; F287-W314 HydrophobicContact CE2-CE3 4.37Å; F287-W314 AromaticContact CE2-CG 3.22Å; F287-W314 HydrophobicContact CE2-CG 3.22Å; F287-W314 AromaticContact CE2-NE1 3.72Å; F287-W314 HydrophobicContact CG-CB 4.05Å; F287-W314 HydrophobicContact CG-CG 4.48Å; F287-W314 HydrophobicContact CZ-CB 4.15Å; F287-W314 AromaticContact CZ-CD1 3.68Å; F287-W314 AromaticContact CZ-CG 3.92Å; F287-W314 HydrophobicContact CZ-CG 3.92Å
288V98.7Very high98.7Very high63 Ų6342.5 Ų42.538%0.38225%0.246SC..THydrogen-bonded Turntrans-62.6124.2175.4174.70000109.4T52 V241 S285 S290T52-V288 HydrophobicContact CG2-CG1 4.15Å; T52-V288 WeakPolarHBondContact O-CG1 3.43Å; V241-V288 HydrophobicContact CG2-CB 4.47Å; V241-V288 HydrophobicContact CG2-CG2 3.77Å; S285-V288 PolarHBondContact O-N 3.43Å; V288-S290 VanDerWaalsContact C-N 3.31Å
289G97.8Very high98.7Very high31 Ų3147 Ų4732%0.3226%0.264SS..THydrogen-bonded Turntrans79.99.7-174.400000114F287 D316 F319F287-G289 PolarHBondContact O-N 3.24Å; G289-D316 WeakPolarHBondContact CA-OD2 3.4Å; G289-D316 PolarHBondContact N-OD2 2.9Å; G289-F319 VanDerWaalsContact O-CD1 3.24Å; G289-F319 WeakPolarHBondContact O-CD1 3.07Å
290S98.3Very high98.7Very high19 Ų1945.3 Ų45.313%0.13326%0.264CS..  trans-64.4137.9172.6-178.20000111F287 V288 S292 G320F287-S290 WeakPolarHBondContact O-CB 3.47Å; F287-S290 PolarHBondContact O-N 3.43Å; V288-S290 VanDerWaalsContact C-N 3.31Å; S290-S292 PolarHBondContact OG-N 3.37Å; S290-G320 PolarHBondContact O-N 3.36Å
291T98.4Very high98.7Very high62 Ų6240.4 Ų40.438%0.3824%0.24SC..  trans-93.4-9.9-179.166.70000113.3F319 R324T291-F319 HydrophobicContact CG2-CD1 4.17Å; T291-F319 HydrophobicContact CG2-CE1 3.67Å; T291-R324 PolarHBondContact O-NH1 3.1Å; T291-R324 PolarHBondContact O-NH2 3.2Å
292S98.7Very high98.7Very high0 Ų038.4 Ų38.40%023%0.234CC..  trans-81.2149.9-178.1-80.60000111.7E276 S290E276-S292 WeakPolarHBondContact CG-OG 3.32Å; E276-S292 VanDerWaalsContact OE1-CB 3.32Å; E276-S292 WeakPolarHBondContact OE1-CB 3.34Å; E276-S292 PolarHBondContact OE1-OG 3.28Å; S290-S292 PolarHBondContact OG-N 3.37Å
293S98.9Very high98.7Very high4 Ų439 Ų393%0.02824%0.238CC..SBendtrans-75.9-32.3178.2-58.30000111.9N156 C157 I274 Y315 R324N156-S293 VanDerWaalsContact O-CB 3.29Å; N156-S293 WeakPolarHBondContact O-CB 3.48Å; C157-S293 WeakPolarHBondContact CA-O 3.33Å; C157-S293 WeakPolarHBondContact CB-O 3.37Å; I274-S293 WeakPolarHBondContact O-CB 2.91Å; I274-S293 PolarHBondContact O-N 3.29Å; S293-Y315 VanDerWaalsContact O-CB 3.29Å; S293-Y315 WeakPolarHBondContact O-CB 3.38Å; S293-R324 WeakPolarHBondContact OG-CD 3.47Å; S293-R324 WeakPolarHBondContact OG-CG 3.45Å; S293-R324 PolarHBondContact OG-NH1 3.47Å
294S98.9Very high98.7Very high0 Ų041.5 Ų41.50%025%0.249CC..EExtended strand (participates in β ladder)trans-147.8127.5-173.5178.30000108.4C157 I274 L275 E276 S313C157-S294 WeakPolarHBondContact O-CB 3.5Å; C157-S294 PolarHBondContact O-OG 3.07Å; I274-S294 PolarHBondContact O-N 3.22Å; I274-S294 VanDerWaalsContact O-N 3.08Å; L275-S294 CarbonylContact C-O 3.41Å; L275-S294 VanDerWaalsContact CA-O 3.28Å; L275-S294 WeakPolarHBondContact CA-O 3.39Å; L275-S294 VanDerWaalsContact CD1-OG 3.24Å; L275-S294 WeakPolarHBondContact CD1-OG 3.41Å; E276-S294 PolarHBondContact N-O 3.19Å; S294-S313 PolarHBondContact OG-OG 3.4Å
295I98.9Very high98.6Very high2 Ų243.6 Ų43.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-117.4109.7170.3-52.897.8000107.2E276 T278 F287 S313 W314E276-I295 HydrophobicContact CB-CB 4.2Å; E276-I295 HydrophobicContact CB-CG1 3.94Å; E276-I295 HydrophobicContact CB-CG2 3.89Å; T278-I295 HydrophobicContact CG2-CG2 4.12Å; F287-I295 HydrophobicContact CD1-CB 4.44Å; F287-I295 HydrophobicContact CD1-CD1 3.93Å; F287-I295 HydrophobicContact CD1-CG1 4.16Å; F287-I295 HydrophobicContact CD1-CG2 4.49Å; F287-I295 HydrophobicContact CE1-CB 4.08Å; F287-I295 HydrophobicContact CE1-CD1 4.42Å; F287-I295 HydrophobicContact CE1-CG1 4.21Å; F287-I295 HydrophobicContact CE1-CG2 3.71Å; F287-I295 HydrophobicContact CG-CD1 4.43Å; F287-I295 HydrophobicContact CZ-CG2 4.18Å; I295-S313 PolarHBondContact N-OG 3.1Å; I295-S313 CarbonylContact O-C 3.56Å; I295-S313 WeakPolarHBondContact O-CA 3.3Å; I295-S313 PolarHBondContact O-OG 2.89Å; I295-W314 HydrophobicContact CB-CB 4.32Å; I295-W314 HydrophobicContact CD1-CB 4.4Å; I295-W314 PolarHBondContact N-O 2.83Å; I295-W314 PolarHBondContact O-N 3.42Å
296F98.9Very high98.6Very high0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-75.2127.8-179.3177-100000110.8L161 K260 V263 E276 Y277 T278 A298 L311 V312L161-F296 HydrophobicContact CD1-CD2 3.83Å; L161-F296 HydrophobicContact CD1-CE2 4.34Å; L161-F296 HydrophobicContact CD2-CD2 4.43Å; K260-F296 HydrophobicContact CG-CE1 4.16Å; V263-F296 HydrophobicContact CB-CD1 4.25Å; V263-F296 HydrophobicContact CB-CG 4.39Å; V263-F296 HydrophobicContact CG1-CB 3.56Å; V263-F296 HydrophobicContact CG1-CD1 3.79Å; V263-F296 HydrophobicContact CG1-CD2 4.25Å; V263-F296 HydrophobicContact CG1-CG 3.6Å; E276-F296 PolarHBondContact O-N 3.05Å; Y277-F296 AromaticContact CD2-CD1 3.58Å; Y277-F296 HydrophobicContact CD2-CD1 3.58Å; Y277-F296 HydrophobicContact CD2-CE1 4.22Å; Y277-F296 AromaticContact CE2-CD1 3.74Å; Y277-F296 HydrophobicContact CE2-CD1 3.74Å; Y277-F296 AromaticContact CE2-CE1 3.92Å; Y277-F296 HydrophobicContact CE2-CE1 3.92Å; T278-F296 PolarHBondContact N-O 2.93Å; F296-A298 HydrophobicContact CD1-CB 4.39Å; F296-A298 HydrophobicContact CE1-CB 4.03Å; F296-L311 HydrophobicContact CE2-CB 4.13Å; F296-L311 HydrophobicContact CE2-CD2 3.94Å; F296-L311 HydrophobicContact CZ-CD2 4.23Å; F296-V312 WeakPolarHBondContact CD2-O 3.33Å
297D98.9Very high98.6Very high8 Ų843.1 Ų43.14%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-98102.6179-171.6-34000109.6V282 K299 A300 V312 W314V282-D297 WeakPolarHBondContact CG2-OD2 3.4Å; D297-K299 VanDerWaalsContact C-N 3.3Å; D297-K299 PolarHBondContact O-N 2.91Å; D297-K299 PolarHBondContact OD1-N 2.75Å; D297-K299 VanDerWaalsContact OD1-N 3.15Å; D297-A300 HydrophobicContact CB-CB 3.99Å; D297-A300 WeakPolarHBondContact OD1-CB 3.39Å; D297-A300 PolarHBondContact OD1-N 2.95Å; D297-A300 WeakPolarHBondContact OD2-CB 3.31Å; D297-V312 HydrophobicContact CB-CB 4.25Å; D297-V312 HydrophobicContact CB-CG1 4.08Å; D297-V312 PolarHBondContact N-O 3.04Å; D297-W314 PolarHBondContact OD2-NE1 3.47Å
298A98.7Very high98.6Very high3 Ų346 Ų463%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-67.8-29.3-173.800000113.2Y256 K260 Y277 T278 E279 F296Y256-A298 WeakPolarHBondContact CE1-O 3.26Å; Y256-A298 PolarHBondContact OH-O 3.39Å; K260-A298 HydrophobicContact CD-CB 3.73Å; K260-A298 HydrophobicContact CG-CB 4.26Å; Y277-A298 HydrophobicContact CE1-CB 4.41Å; Y277-A298 HydrophobicContact CE2-CB 3.92Å; Y277-A298 WeakPolarHBondContact OH-CB 3.24Å; T278-A298 WeakPolarHBondContact O-CB 3.27Å; T278-A298 PolarHBondContact O-N 3.15Å; E279-A298 HydrophobicContact CG-CB 3.64Å; F296-A298 HydrophobicContact CD1-CB 4.39Å; F296-A298 HydrophobicContact CE1-CB 4.03Å
299K98.7Very high98.6Very high113 Ų11343.1 Ų43.149%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-93.7-22.9-175.8-71.4-172.8178.6160.80113.3E279 E281 D297E279-K299 WeakPolarHBondContact O-CD 3.33Å; E279-K299 WeakPolarHBondContact O-CE 3.35Å; E279-K299 PolarHBondContact O-NZ 3.37Å; E281-K299 WeakPolarHBondContact OE1-CD 3.3Å; E281-K299 WeakPolarHBondContact OE1-CE 3.3Å; E281-K299 IonicContact OE1-NZ 3.67Å; E281-K299 PolarHBondContact OE1-NZ 2.85Å; D297-K299 VanDerWaalsContact C-N 3.3Å; D297-K299 PolarHBondContact O-N 2.91Å; D297-K299 PolarHBondContact OD1-N 2.75Å; D297-K299 VanDerWaalsContact OD1-N 3.15Å
300A98.7Very high98.7Very high48 Ų4844.8 Ų44.840%0.39724%0.242SC..EExtended strand (participates in β ladder)trans-79-21.2177.300000114.1D297 V312D297-A300 HydrophobicContact CB-CB 3.99Å; D297-A300 WeakPolarHBondContact OD1-CB 3.39Å; D297-A300 PolarHBondContact OD1-N 2.95Å; D297-A300 WeakPolarHBondContact OD2-CB 3.31Å; A300-V312 HydrophobicContact CB-CB 3.89Å; A300-V312 HydrophobicContact CB-CG1 3.91Å; A300-V312 HydrophobicContact CB-CG2 3.94Å
301G98.6Very high98.7Very high10 Ų1043.9 Ų43.910%0.10324%0.236CC..EExtended strand (participates in β ladder)trans-77.8162.8175.400000113.8Y256 K310Y256-G301 WeakPolarHBondContact OH-CA 3.47Å; Y256-G301 PolarHBondContact OH-N 2.96Å; G301-K310 CarbonylContact C-O 3.46Å; G301-K310 VanDerWaalsContact CA-O 3.26Å; G301-K310 WeakPolarHBondContact CA-O 3.41Å
302I98.7Very high98.7Very high112 Ų11241.8 Ų41.857%0.57422%0.222SC*.EExtended strand (participates in β ladder)trans-150.9139.5-178.4-172167.5000111.3K310I302-K310 HydrophobicContact CG2-CB 3.96Å; I302-K310 HydrophobicContact CG2-CD 4.29Å; I302-K310 PolarHBondContact N-O 3.02Å; I302-K310 PolarHBondContact O-N 2.95Å
303S98.4Very high98.8Very high36 Ų3641.8 Ų41.825%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-103127.7172.1-61.30000110.3Y256 V309Y256-S303 WeakPolarHBondContact CB-OG 3.34Å; Y256-S303 VanDerWaalsContact CD2-OG 3.29Å; Y256-S303 WeakPolarHBondContact CD2-OG 3.44Å; S303-V309 WeakPolarHBondContact OG-CG2 3.38Å
304L98.5Very high98.8Very high134 Ų13443.3 Ų43.370%0.70223%0.228SC*.EExtended strand (participates in β ladder)trans-75.9-40.4170.9177.465.3000110.5F308L304-F308 HydrophobicContact CB-CD1 4.04Å; L304-F308 HydrophobicContact CD2-CD1 3.76Å; L304-F308 HydrophobicContact CD2-CE1 4.39Å; L304-F308 PolarHBondContact N-O 3.47Å
305N98.5Very high98.8Very high79 Ų7943.5 Ų43.542%0.42223%0.228SC..EExtended strand (participates in β ladder)trans-157.4-179.817459.961.3000108.6N307 F308N305-N307 PolarHBondContact O-N 2.83Å; N305-N307 WeakPolarHBondContact OD1-CA 3.46Å; N305-N307 PolarHBondContact OD1-N 3.08Å; N305-F308 PolarHBondContact N-O 3.48Å; N305-F308 PolarHBondContact O-N 2.82Å; N305-F308 PolarHBondContact OD1-N 3.43Å
306N98.4Very high98.8Very high100 Ų10043.5 Ų43.554%0.53523%0.228SC..THydrogen-bonded Turntrans-61.6-17.1-175.4-66-5.7000114.5G253 A254G253-N306 CarbonylContact C-O 3.45Å; G253-N306 WeakPolarHBondContact CA-O 3.15Å; A254-N306 PolarHBondContact N-O 2.98Å; A254-N306 WeakPolarHBondContact O-CA 3.48Å
307N98.7Very high98.8Very high63 Ų6343.9 Ų43.934%0.33723%0.231SC..THydrogen-bonded Turntrans-114-4-178.2-70.187.7000113.2R249 L250 G253 N305R249-N307 CarbonylContact C-O 3.49Å; R249-N307 WeakPolarHBondContact CA-O 3.49Å; R249-N307 WeakPolarHBondContact CG-O 3.3Å; L250-N307 PolarHBondContact N-O 3.45Å; L250-N307 PolarHBondContact O-ND2 3.19Å; G253-N307 WeakPolarHBondContact CA-ND2 3.48Å; G253-N307 PolarHBondContact N-ND2 3.11Å; N305-N307 PolarHBondContact O-N 2.83Å; N305-N307 WeakPolarHBondContact OD1-CA 3.46Å; N305-N307 PolarHBondContact OD1-N 3.08Å
308F98.9Very high98.7Very high80 Ų8044.3 Ų44.335%0.35123%0.232SC..EExtended strand (participates in β ladder)trans-135.3111.9-176.2-164.3-110.1000110.9T247 R249 L304 N305T247-F308 HydrophobicContact CG2-CE1 3.97Å; T247-F308 HydrophobicContact CG2-CE2 4.11Å; T247-F308 HydrophobicContact CG2-CZ 3.53Å; R249-F308 HydrophobicContact CB-CD2 4.18Å; L304-F308 HydrophobicContact CB-CD1 4.04Å; L304-F308 HydrophobicContact CD2-CD1 3.76Å; L304-F308 HydrophobicContact CD2-CE1 4.39Å; L304-F308 PolarHBondContact N-O 3.47Å; N305-F308 PolarHBondContact N-O 3.48Å; N305-F308 PolarHBondContact O-N 2.82Å; N305-F308 PolarHBondContact OD1-N 3.43Å
309V98.9Very high98.7Very high2 Ų244.9 Ų44.91%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-134.5147.8-167.964.90000111.6T247 C248 L250 Y256 I259 S303 L311T247-V309 CarbonylContact C-O 3.54Å; T247-V309 WeakPolarHBondContact CA-O 3.41Å; C248-V309 PolarHBondContact N-O 3.04Å; C248-V309 PolarHBondContact O-N 3.18Å; L250-V309 HydrophobicContact CD1-CG1 4.27Å; L250-V309 HydrophobicContact CD2-CG1 4.26Å; L250-V309 HydrophobicContact CG-CG1 4.24Å; Y256-V309 HydrophobicContact CD2-CG2 4.08Å; Y256-V309 HydrophobicContact CE2-CG2 4.19Å; I259-V309 HydrophobicContact CD1-CB 4.29Å; I259-V309 HydrophobicContact CD1-CG1 4.23Å; I259-V309 HydrophobicContact CD1-CG2 4.01Å; S303-V309 WeakPolarHBondContact OG-CG2 3.38Å; V309-L311 HydrophobicContact CG1-CD1 4.4Å; V309-L311 HydrophobicContact CG1-CD2 4.3Å; V309-L311 HydrophobicContact CG1-CG 4.16Å; V309-L311 HydrophobicContact CG2-CD2 3.53Å; V309-L311 HydrophobicContact CG2-CG 4.08Å
310K98.9Very high98.7Very high66 Ų6639.6 Ų39.629%0.28721%0.211SC..EExtended strand (participates in β ladder)trans-109.7123.4167177.5179.7-65.7-66.70109D245 L246 T247 G301 I302D245-K310 WeakPolarHBondContact OD1-CG 3.48Å; D245-K310 IonicContact OD1-NZ 2.71Å; D245-K310 PolarHBondContact OD1-NZ 3.09Å; D245-K310 IonicContact OD2-NZ 2.79Å; D245-K310 PolarHBondContact OD2-NZ 2.9Å; L246-K310 CarbonylContact O-C 3.48Å; L246-K310 WeakPolarHBondContact O-CA 3.46Å; T247-K310 PolarHBondContact OG1-NZ 3.33Å; G301-K310 CarbonylContact C-O 3.46Å; G301-K310 VanDerWaalsContact CA-O 3.26Å; G301-K310 WeakPolarHBondContact CA-O 3.41Å; I302-K310 HydrophobicContact CG2-CB 3.96Å; I302-K310 HydrophobicContact CG2-CD 4.29Å; I302-K310 PolarHBondContact N-O 3.02Å; I302-K310 PolarHBondContact O-N 2.95Å
311L98.9Very high98.8Very high0 Ų037.8 Ų37.80%019%0.194CC..EExtended strand (participates in β ladder)trans-116.5134.8-177.3-57.5176.8000109.6L161 I165 L246 Y256 I259 F296 V309L161-L311 HydrophobicContact CD2-CB 4.18Å; I165-L311 HydrophobicContact CD1-CD1 3.71Å; I165-L311 HydrophobicContact CG1-CD1 3.62Å; L246-L311 HydrophobicContact CB-CB 4.43Å; L246-L311 HydrophobicContact CD2-CD1 4.42Å; L246-L311 PolarHBondContact N-O 3.01Å; L246-L311 PolarHBondContact O-N 3.11Å; Y256-L311 HydrophobicContact CE2-CD2 4.11Å; I259-L311 HydrophobicContact CG2-CD2 3.82Å; F296-L311 HydrophobicContact CE2-CB 4.13Å; F296-L311 HydrophobicContact CE2-CD2 3.94Å; F296-L311 HydrophobicContact CZ-CD2 4.23Å; V309-L311 HydrophobicContact CG1-CD1 4.4Å; V309-L311 HydrophobicContact CG1-CD2 4.3Å; V309-L311 HydrophobicContact CG1-CG 4.16Å; V309-L311 HydrophobicContact CG2-CD2 3.53Å; V309-L311 HydrophobicContact CG2-CG 4.08Å
312V98.9Very high98.8Very high17 Ų1737.3 Ų37.310%0.10319%0.19CC..EExtended strand (participates in β ladder)trans-114.3133.2-176.7179.80000109.6V243 V244 F296 D297 A300V243-V312 HydrophobicContact CG2-CG1 3.46Å; V243-V312 VanDerWaalsContact CG2-CG1 3.46Å; V244-V312 WeakPolarHBondContact O-CA 3.18Å; F296-V312 WeakPolarHBondContact CD2-O 3.33Å; D297-V312 HydrophobicContact CB-CB 4.25Å; D297-V312 HydrophobicContact CB-CG1 4.08Å; D297-V312 PolarHBondContact N-O 3.04Å; A300-V312 HydrophobicContact CB-CB 3.89Å; A300-V312 HydrophobicContact CB-CG1 3.91Å; A300-V312 HydrophobicContact CB-CG2 3.94Å
313S99Very high98.8Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-143.7128.7172.8-173.10000113.3V243 V244 S294 I295V243-S313 CarbonylContact C-O 3.6Å; V243-S313 WeakPolarHBondContact CA-O 3.36Å; V244-S313 PolarHBondContact N-O 2.89Å; V244-S313 PolarHBondContact O-N 2.78Å; S294-S313 PolarHBondContact OG-OG 3.4Å; I295-S313 PolarHBondContact N-OG 3.1Å; I295-S313 CarbonylContact O-C 3.56Å; I295-S313 WeakPolarHBondContact O-CA 3.3Å; I295-S313 PolarHBondContact O-OG 2.89Å
314W99Very high98.8Very high37 Ų3730.5 Ų30.514%0.1415%0.151CC..EExtended strand (participates in β ladder)trans-81.3156.9176.3-59.497.2000111.7V241 V243 F287 I295 D297V241-W314 HydrophobicContact CG1-CE3 4.06Å; V243-W314 HydrophobicContact CB-CD2 4.11Å; V243-W314 HydrophobicContact CB-CE3 3.63Å; V243-W314 HydrophobicContact CB-CH2 4.33Å; V243-W314 HydrophobicContact CB-CZ3 3.74Å; V243-W314 HydrophobicContact CG1-CE3 4.49Å; V243-W314 HydrophobicContact CG1-CH2 4.49Å; V243-W314 HydrophobicContact CG1-CZ3 4.11Å; V243-W314 HydrophobicContact CG2-CD2 4.02Å; V243-W314 HydrophobicContact CG2-CE3 4.07Å; V243-W314 HydrophobicContact CG2-CZ3 4.31Å; F287-W314 HydrophobicContact CD2-CB 3.59Å; F287-W314 AromaticContact CD2-CD2 3.82Å; F287-W314 HydrophobicContact CD2-CD2 3.82Å; F287-W314 HydrophobicContact CD2-CE3 4.17Å; F287-W314 AromaticContact CD2-CG 3.57Å; F287-W314 HydrophobicContact CD2-CG 3.57Å; F287-W314 HydrophobicContact CE2-CB 3.64Å; F287-W314 AromaticContact CE2-CD1 3.31Å; F287-W314 AromaticContact CE2-CD2 3.61Å; F287-W314 HydrophobicContact CE2-CD2 3.61Å; F287-W314 AromaticContact CE2-CE2 3.93Å; F287-W314 HydrophobicContact CE2-CE3 4.37Å; F287-W314 AromaticContact CE2-CG 3.22Å; F287-W314 HydrophobicContact CE2-CG 3.22Å; F287-W314 AromaticContact CE2-NE1 3.72Å; F287-W314 HydrophobicContact CG-CB 4.05Å; F287-W314 HydrophobicContact CG-CG 4.48Å; F287-W314 HydrophobicContact CZ-CB 4.15Å; F287-W314 AromaticContact CZ-CD1 3.68Å; F287-W314 AromaticContact CZ-CG 3.92Å; F287-W314 HydrophobicContact CZ-CG 3.92Å; I295-W314 HydrophobicContact CB-CB 4.32Å; I295-W314 HydrophobicContact CD1-CB 4.4Å; I295-W314 PolarHBondContact N-O 2.83Å; I295-W314 PolarHBondContact O-N 3.42Å; D297-W314 PolarHBondContact OD2-NE1 3.47Å
315Y98.9Very high98.8Very high3 Ų324.1 Ų24.11%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-158134.2170.260.8-72000110.5C153 T154 C157 T178 H180 V241 S242 V244 S293 N317C153-Y315 HydrophobicContact CB-CD2 4.14Å; C153-Y315 HydrophobicContact CB-CE2 3.86Å; T154-Y315 PolarHBondContact OG1-OH 3.46Å; C157-Y315 HydrophobicContact CB-CD1 3.57Å; C157-Y315 HydrophobicContact CB-CD2 4.13Å; C157-Y315 HydrophobicContact CB-CE1 4.11Å; C157-Y315 HydrophobicContact CB-CG 3.58Å; C157-Y315 WeakPolarHBondContact SG-CD1 3.3Å; T178-Y315 PolarHBondContact OG1-OH 2.8Å; H180-Y315 PolarHBondContact CD2-OH 3.46Å; V241-Y315 WeakPolarHBondContact CA-O 3.47Å; S242-Y315 VanDerWaalsContact C-CE1 3.48Å; S242-Y315 VanDerWaalsContact CB-CE1 3.44Å; S242-Y315 WeakPolarHBondContact CB-OH 3.23Å; S242-Y315 PolarHBondContact N-O 2.99Å; S242-Y315 VanDerWaalsContact O-CD1 3.23Å; S242-Y315 WeakPolarHBondContact O-CD1 3.41Å; S242-Y315 PolarHBondContact O-N 3.28Å; V244-Y315 HydrophobicContact CG2-CD1 4.32Å; V244-Y315 HydrophobicContact CG2-CE1 3.78Å; S293-Y315 VanDerWaalsContact O-CB 3.29Å; S293-Y315 WeakPolarHBondContact O-CB 3.38Å; Y315-N317 HydrophobicContact CD2-CB 3.83Å; Y315-N317 HydrophobicContact CE2-CB 3.66Å; Y315-N317 PolarHBondContact O-N 2.9Å; Y315-N317 VanDerWaalsContact O-N 3.14Å
316D98.9Very high98.8Very high2 Ų220.3 Ų20.31%0.01110%0.098CC..  trans-70.3105.1160.9-172.9-44.3000107.8H53 D240 V241 G289 E318 F319 G320H53-D316 IonicContact CE1-OD1 2.84Å; H53-D316 IonicContact CE1-OD2 2.79Å; H53-D316 PolarHBondContact CE1-OD2 2.87Å; D240-D316 VanDerWaalsContact OD2-OD1 3.13Å; V241-D316 HydrophobicContact CG2-CB 4.42Å; G289-D316 WeakPolarHBondContact CA-OD2 3.4Å; G289-D316 PolarHBondContact N-OD2 2.9Å; D316-E318 PolarHBondContact O-N 3.15Å; D316-E318 PolarHBondContact OD1-N 3.16Å; D316-F319 PolarHBondContact OD1-N 3.31Å; D316-G320 PolarHBondContact O-N 3.3Å
317N98.8Very high98.8Very high9 Ų917 Ų175%0.0488%0.08CC..THydrogen-bonded Turntrans-69.1-13.1-173.950.4-103.7000113.2C153 D240 V241 S242 Y315C153-N317 HydrophobicContact CB-CB 3.88Å; C153-N317 WeakPolarHBondContact CB-O 3.45Å; D240-N317 PolarHBondContact OD1-ND2 3.1Å; D240-N317 PolarHBondContact OD1-OD1 3.34Å; V241-N317 VanDerWaalsContact C-OD1 3.29Å; V241-N317 WeakPolarHBondContact CA-OD1 3.24Å; V241-N317 PolarHBondContact N-OD1 2.83Å; S242-N317 PolarHBondContact N-OD1 3.07Å; S242-N317 PolarHBondContact OG-OD1 2.81Å; Y315-N317 HydrophobicContact CD2-CB 3.83Å; Y315-N317 HydrophobicContact CE2-CB 3.66Å; Y315-N317 PolarHBondContact O-N 2.9Å; Y315-N317 VanDerWaalsContact O-N 3.14Å
318E98.8Very high98.8Very high17 Ų1714 Ų148%0.0796%0.064CC..THydrogen-bonded Turntrans-102.8-55.9177.5-60.7-171.5141.100111.9R13 L17 H53 D240 D316 S322R13-E318 WeakPolarHBondContact CB-OE1 2.98Å; R13-E318 WeakPolarHBondContact CG-OE1 3.25Å; R13-E318 IonicContact CZ-OE1 3.35Å; R13-E318 IonicContact CZ-OE2 3.89Å; R13-E318 IonicContact NE-OE1 3.24Å; R13-E318 PolarHBondContact NE-OE1 3.36Å; R13-E318 IonicContact NE-OE2 2.7Å; R13-E318 PolarHBondContact NE-OE2 2.79Å; R13-E318 IonicContact NH2-OE1 2.65Å; R13-E318 IonicContact NH2-OE2 3.08Å; R13-E318 PolarHBondContact NH2-OE2 3.09Å; L17-E318 HydrophobicContact CD1-CB 3.43Å; L17-E318 VanDerWaalsContact CD1-CB 3.43Å; L17-E318 HydrophobicContact CD1-CG 4.35Å; H53-E318 IonicContact CD2-OE2 3.35Å; H53-E318 IonicContact NE2-OE2 3.2Å; H53-E318 PolarHBondContact NE2-OE2 3.2Å; D240-E318 WeakPolarHBondContact OD1-CG 3.33Å; D316-E318 PolarHBondContact O-N 3.15Å; D316-E318 PolarHBondContact OD1-N 3.16Å; E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 3.03Å; E318-S322 PolarHBondContact O-OG 2.97Å
319F98.7Very high98.8Very high15 Ų1510.3 Ų10.37%0.0665%0.048CC..Hα-helixtrans-83.9-44-168.8-163.1-119.1000113.4L17 R20 A21 L24 G289 T291 D316 Y321 S322 C323L17-F319 HydrophobicContact CB-CD2 4.33Å; L17-F319 HydrophobicContact CD2-CD2 4.1Å; R20-F319 HydrophobicContact CB-CE2 4.48Å; R20-F319 HydrophobicContact CG-CE2 4.23Å; A21-F319 HydrophobicContact CB-CE2 4.29Å; L24-F319 HydrophobicContact CD1-CE2 4.48Å; L24-F319 HydrophobicContact CD1-CZ 3.77Å; G289-F319 VanDerWaalsContact O-CD1 3.24Å; G289-F319 WeakPolarHBondContact O-CD1 3.07Å; T291-F319 HydrophobicContact CG2-CD1 4.17Å; T291-F319 HydrophobicContact CG2-CE1 3.67Å; D316-F319 PolarHBondContact OD1-N 3.31Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 2.96Å; F319-S322 PolarHBondContact O-N 3.22Å; F319-C323 WeakPolarHBondContact O-CB 3.28Å; F319-C323 PolarHBondContact O-N 2.75Å; F319-C323 PolarHBondContact O-SG 3.02Å
320G98.7Very high98.8Very high1 Ų112.5 Ų12.51%0.016%0.061CC..Hα-helixtrans-57.9-44.5172.400000110.8S290 D316 C323 R324S290-G320 PolarHBondContact O-N 3.36Å; D316-G320 PolarHBondContact O-N 3.3Å; G320-C323 WeakPolarHBondContact O-CB 3.33Å; G320-C323 PolarHBondContact O-N 2.83Å; G320-R324 WeakPolarHBondContact O-CG 3.42Å; G320-R324 PolarHBondContact O-N 3.35Å; G320-R324 VanDerWaalsContact O-N 3.14Å
321Y98.9Very high98.8Very high10 Ų1011 Ų114%0.0396%0.055CC..Hα-helixtrans-62.8-44.3174.1-177.5-102.6000113.3I14 S123 A124 N150 A151 C153 F319 C323 R324 V325I14-Y321 HydrophobicContact CD1-CD1 4Å; I14-Y321 HydrophobicContact CG2-CD1 4.29Å; I14-Y321 HydrophobicContact CG2-CE1 4.17Å; S123-Y321 VanDerWaalsContact CA-OH 3.26Å; S123-Y321 WeakPolarHBondContact CA-OH 3.36Å; S123-Y321 WeakPolarHBondContact O-CE1 3.18Å; S123-Y321 PolarHBondContact O-OH 3.03Å; A124-Y321 PolarHBondContact N-OH 3.28Å; N150-Y321 HydrophobicContact CB-CE2 4.37Å; N150-Y321 VanDerWaalsContact ND2-CE2 3.31Å; N150-Y321 WeakPolarHBondContact ND2-CE2 3.28Å; N150-Y321 WeakPolarHBondContact O-CE2 3.23Å; A151-Y321 PolarHBondContact O-OH 3.44Å; A151-Y321 VanDerWaalsContact O-OH 3.07Å; C153-Y321 HydrophobicContact CB-CD2 4.22Å; C153-Y321 HydrophobicContact CB-CG 4.26Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 2.96Å; Y321-C323 VanDerWaalsContact C-N 3.29Å; Y321-C323 PolarHBondContact O-N 3.21Å; Y321-R324 WeakPolarHBondContact O-CB 3.44Å; Y321-R324 PolarHBondContact O-N 2.87Å; Y321-V325 HydrophobicContact CD1-CG2 4.4Å; Y321-V325 HydrophobicContact CE1-CG2 4.02Å; Y321-V325 PolarHBondContact O-N 2.91Å
322S98.8Very high98.8Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-63.2-36.8178.1-64.20000112.1L17 E318 F319 R324 V325 V326L17-S322 WeakPolarHBondContact CB-OG 3.19Å; E318-S322 VanDerWaalsContact O-CB 3.25Å; E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 3.03Å; E318-S322 PolarHBondContact O-OG 2.97Å; F319-S322 PolarHBondContact O-N 3.22Å; S322-R324 VanDerWaalsContact C-N 3.32Å; S322-R324 PolarHBondContact O-N 2.89Å; S322-V325 PolarHBondContact O-N 3.06Å; S322-V326 PolarHBondContact O-N 3.26Å
323C98.8Very high98.7Very high1 Ų110.8 Ų10.81%0.0075%0.053CC..Hα-helixtrans-61.6-38.6171.7-79.90000112F319 G320 Y321 V326 D327F319-C323 WeakPolarHBondContact O-CB 3.28Å; F319-C323 PolarHBondContact O-N 2.75Å; F319-C323 PolarHBondContact O-SG 3.02Å; G320-C323 WeakPolarHBondContact O-CB 3.33Å; G320-C323 PolarHBondContact O-N 2.83Å; Y321-C323 VanDerWaalsContact C-N 3.29Å; Y321-C323 PolarHBondContact O-N 3.21Å; C323-V326 PolarHBondContact O-N 3.21Å; C323-D327 PolarHBondContact O-N 2.78Å
324R98.8Very high98.6Very high4 Ų417.3 Ų17.32%0.0158%0.081CC..Hα-helixtrans-67.2-35.3175-66.7-55.291.668.6-3.5113.7G273 T291 S293 G320 Y321 S322 V326 D327 L328G273-R324 PolarHBondContact O-NH2 3.45Å; T291-R324 PolarHBondContact O-NH1 3.1Å; T291-R324 PolarHBondContact O-NH2 3.2Å; S293-R324 WeakPolarHBondContact OG-CD 3.47Å; S293-R324 WeakPolarHBondContact OG-CG 3.45Å; S293-R324 PolarHBondContact OG-NH1 3.47Å; G320-R324 WeakPolarHBondContact O-CG 3.42Å; G320-R324 PolarHBondContact O-N 3.35Å; G320-R324 VanDerWaalsContact O-N 3.14Å; Y321-R324 WeakPolarHBondContact O-CB 3.44Å; Y321-R324 PolarHBondContact O-N 2.87Å; S322-R324 VanDerWaalsContact C-N 3.32Å; S322-R324 PolarHBondContact O-N 2.89Å; R324-V326 VanDerWaalsContact C-N 3.33Å; R324-V326 PolarHBondContact O-N 3.38Å; R324-D327 IonicContact CZ-OD2 3.46Å; R324-D327 VanDerWaalsContact CZ-OD2 3.26Å; R324-D327 IonicContact NE-OD2 2.72Å; R324-D327 PolarHBondContact NE-OD2 2.65Å; R324-D327 IonicContact NH2-OD2 3.43Å; R324-D327 PolarHBondContact NH2-OD2 2.59Å; R324-D327 PolarHBondContact O-N 2.86Å; R324-L328 WeakPolarHBondContact O-CB 3.35Å; R324-L328 PolarHBondContact O-N 3.31Å
325V98.9Very high98.6Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-59.4-46.4172174.20000110.4V18 V96 I121 N150 Y321 S322 D327 L328 I329V18-V325 HydrophobicContact CG1-CG1 4.29Å; V18-V325 HydrophobicContact CG2-CB 3.99Å; V18-V325 HydrophobicContact CG2-CG1 3.99Å; V18-V325 HydrophobicContact CG2-CG2 4.34Å; V96-V325 HydrophobicContact CG1-CG1 3.97Å; V96-V325 HydrophobicContact CG2-CG1 3.67Å; I121-V325 HydrophobicContact CG2-CG1 4.44Å; N150-V325 HydrophobicContact CB-CG2 4.16Å; N150-V325 WeakPolarHBondContact ND2-CG2 3.3Å; N150-V325 PolarHBondContact ND2-N 2.86Å; Y321-V325 HydrophobicContact CD1-CG2 4.4Å; Y321-V325 HydrophobicContact CE1-CG2 4.02Å; Y321-V325 PolarHBondContact O-N 2.91Å; S322-V325 PolarHBondContact O-N 3.06Å; V325-D327 PolarHBondContact O-N 3.09Å; V325-L328 PolarHBondContact O-N 3.17Å; V325-I329 HydrophobicContact CG1-CD1 4.11Å; V325-I329 WeakPolarHBondContact O-CG1 3.38Å; V325-I329 PolarHBondContact O-N 2.92Å; V325-I329 VanDerWaalsContact O-N 3.08Å
326V98.8Very high98.5Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-64.2-40.2177.4174.70000111.8V18 A21 A22 K25 T27 V28 S322 C323 R324 I329 T330V18-V326 HydrophobicContact CG1-CG2 4.22Å; A21-V326 HydrophobicContact CB-CG2 3.96Å; A22-V326 HydrophobicContact CB-CG2 4.35Å; K25-V326 HydrophobicContact CD-CG1 4.35Å; T27-V326 WeakPolarHBondContact OG1-CG1 3.35Å; V28-V326 HydrophobicContact CG1-CG1 4.2Å; V28-V326 HydrophobicContact CG2-CG1 3.91Å; S322-V326 PolarHBondContact O-N 3.26Å; C323-V326 PolarHBondContact O-N 3.21Å; R324-V326 VanDerWaalsContact C-N 3.33Å; R324-V326 PolarHBondContact O-N 3.38Å; V326-I329 PolarHBondContact O-N 3.44Å; V326-T330 WeakPolarHBondContact O-CB 3.47Å; V326-T330 PolarHBondContact O-N 2.88Å; V326-T330 PolarHBondContact O-OG1 3.44Å
327D98.6Very high98.3Very high31 Ų3122.6 Ų22.617%0.16611%0.111CC..Hα-helixtrans-65.9-42.1177.6-68.5-24.4000112K25 V134 C323 R324 V325 T330 H331K25-D327 IonicContact NZ-OD1 3.72Å; K25-D327 PolarHBondContact NZ-OD1 3.43Å; K25-D327 IonicContact NZ-OD2 3.66Å; K25-D327 PolarHBondContact NZ-OD2 2.7Å; V134-D327 HydrophobicContact CG1-CB 4.21Å; V134-D327 HydrophobicContact CG2-CB 4.05Å; C323-D327 PolarHBondContact O-N 2.78Å; R324-D327 IonicContact CZ-OD2 3.46Å; R324-D327 VanDerWaalsContact CZ-OD2 3.26Å; R324-D327 IonicContact NE-OD2 2.72Å; R324-D327 PolarHBondContact NE-OD2 2.65Å; R324-D327 IonicContact NH2-OD2 3.43Å; R324-D327 PolarHBondContact NH2-OD2 2.59Å; R324-D327 PolarHBondContact O-N 2.86Å; V325-D327 PolarHBondContact O-N 3.09Å; D327-T330 WeakPolarHBondContact O-CB 3.44Å; D327-T330 PolarHBondContact O-N 2.96Å; D327-H331 PolarHBondContact O-N 2.8Å
328L98.8Very high97.9Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-62.7-44.6177-179.559.1000111.2I121 F132 V134 V148 N150 R324 V325 T330 H331 M332I121-L328 HydrophobicContact CG2-CD2 3.93Å; F132-L328 HydrophobicContact CB-CD1 3.8Å; F132-L328 HydrophobicContact CB-CD2 4.21Å; F132-L328 HydrophobicContact CG-CD1 4.33Å; V134-L328 HydrophobicContact CG2-CB 4.08Å; V148-L328 HydrophobicContact CG2-CD2 4.38Å; N150-L328 HydrophobicContact CB-CD2 3.98Å; R324-L328 WeakPolarHBondContact O-CB 3.35Å; R324-L328 PolarHBondContact O-N 3.31Å; V325-L328 PolarHBondContact O-N 3.17Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 3.47Å; L328-H331 PolarHBondContact O-N 3.3Å; L328-M332 HydrophobicContact CD1-CG 4.23Å; L328-M332 HydrophobicContact CD1-SD 4.29Å; L328-M332 HydrophobicContact CG-CG 4.44Å; L328-M332 HydrophobicContact CG-SD 3.96Å; L328-M332 VanDerWaalsContact O-CG 3.27Å; L328-M332 WeakPolarHBondContact O-CG 3.29Å; L328-M332 PolarHBondContact O-N 2.7Å
329I98.8Very high97.9Very high1 Ų128.3 Ų28.31%0.00516%0.158CC..Hα-helixtrans-59.7-44174.3-67.7164.9000110.7A4 V6 V28 Y94 V96 I121 V325 V326 H331 M332 H333A4-I329 HydrophobicContact CB-CG2 3.64Å; V6-I329 HydrophobicContact CG1-CD1 4.19Å; V6-I329 HydrophobicContact CG2-CD1 4.17Å; V6-I329 HydrophobicContact CG2-CG2 3.94Å; V28-I329 HydrophobicContact CG1-CB 4.42Å; V28-I329 HydrophobicContact CG1-CG2 3.9Å; Y94-I329 HydrophobicContact CD1-CG2 4.22Å; Y94-I329 HydrophobicContact CG-CG2 4Å; V96-I329 HydrophobicContact CG2-CD1 3.57Å; I121-I329 HydrophobicContact CD1-CD1 4.3Å; I121-I329 HydrophobicContact CD1-CG1 3.67Å; I121-I329 HydrophobicContact CG1-CG1 3.92Å; V325-I329 HydrophobicContact CG1-CD1 4.11Å; V325-I329 WeakPolarHBondContact O-CG1 3.38Å; V325-I329 PolarHBondContact O-N 2.92Å; V325-I329 VanDerWaalsContact O-N 3.08Å; V326-I329 PolarHBondContact O-N 3.44Å; I329-H331 VanDerWaalsContact C-N 3.3Å; I329-H331 PolarHBondContact O-N 3.44Å; I329-M332 PolarHBondContact O-N 2.66Å; I329-H333 VanDerWaalsContact O-CB 3.26Å; I329-H333 WeakPolarHBondContact O-CB 2.75Å; I329-H333 PolarHBondContact O-N 2.79Å
330T98.3Very high97.8Very high48 Ų4828.9 Ų28.929%0.29416%0.163SC..Hα-helixtrans-60.8-42.4178.7-56.40000110.9T27 V326 D327 L328 K334T27-T330 PolarHBondContact OG1-OG1 2.76Å; V326-T330 WeakPolarHBondContact O-CB 3.47Å; V326-T330 PolarHBondContact O-N 2.88Å; V326-T330 PolarHBondContact O-OG1 3.44Å; D327-T330 WeakPolarHBondContact O-CB 3.44Å; D327-T330 PolarHBondContact O-N 2.96Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 3.47Å; T330-K334 PolarHBondContact O-N 2.9Å; T330-K334 VanDerWaalsContact O-N 3.1Å
331H98.2Very high97.8Very high35 Ų3530.5 Ų30.516%0.16217%0.172CC..Hα-helixtrans-63.9-53.1175.8179.889.5000111.9E138 N139 D327 L328 I329 H333 K334 V335E138-H331 PolarHBondContact O-NE2 2.85Å; E138-H331 VanDerWaalsContact O-NE2 3.11Å; N139-H331 PolarHBondContact OD1-CE1 3.39Å; D327-H331 PolarHBondContact O-N 2.8Å; L328-H331 PolarHBondContact O-N 3.3Å; I329-H331 VanDerWaalsContact C-N 3.3Å; I329-H331 PolarHBondContact O-N 3.44Å; H331-H333 VanDerWaalsContact C-N 3.28Å; H331-H333 PolarHBondContact O-N 3.27Å; H331-K334 WeakPolarHBondContact O-CB 3.32Å; H331-K334 PolarHBondContact O-N 3.38Å; H331-K334 VanDerWaalsContact O-N 3.14Å; H331-V335 WeakPolarHBondContact O-CG2 3.36Å; H331-V335 PolarHBondContact O-N 2.88Å
332M98.5Very high97.7Very high0 Ų031.7 Ų31.70%018%0.18CC..Hα-helixtrans-56.2-44.7179.2-68.9168.866.100111.2Y94 K119 I121 Y141 V148 L328 I329 K334 V335 D336Y94-M332 HydrophobicContact CD1-CE 4.41Å; Y94-M332 HydrophobicContact CE1-CB 4.01Å; Y94-M332 HydrophobicContact CE1-CE 4.43Å; K119-M332 HydrophobicContact CB-CE 3.91Å; K119-M332 HydrophobicContact CD-CE 4.2Å; K119-M332 HydrophobicContact CG-CE 4.06Å; I121-M332 HydrophobicContact CD1-CE 4.3Å; I121-M332 HydrophobicContact CD1-SD 4.26Å; I121-M332 HydrophobicContact CG1-CE 4.3Å; I121-M332 HydrophobicContact CG1-SD 3.83Å; Y141-M332 HydrophobicContact CD1-CB 4.42Å; Y141-M332 HydrophobicContact CD1-CG 4.1Å; Y141-M332 HydrophobicContact CD2-CG 3.99Å; Y141-M332 HydrophobicContact CE1-CB 3.91Å; Y141-M332 HydrophobicContact CE1-CG 3.94Å; Y141-M332 HydrophobicContact CE2-CB 4.46Å; Y141-M332 HydrophobicContact CE2-CE 3.72Å; Y141-M332 HydrophobicContact CE2-CG 3.82Å; Y141-M332 HydrophobicContact CE2-SD 4.38Å; Y141-M332 HydrophobicContact CG-CG 4.12Å; V148-M332 HydrophobicContact CG1-CE 4.43Å; V148-M332 HydrophobicContact CG2-CE 3.83Å; V148-M332 HydrophobicContact CG2-SD 3.73Å; L328-M332 HydrophobicContact CD1-CG 4.23Å; L328-M332 HydrophobicContact CD1-SD 4.29Å; L328-M332 HydrophobicContact CG-CG 4.44Å; L328-M332 HydrophobicContact CG-SD 3.96Å; L328-M332 VanDerWaalsContact O-CG 3.27Å; L328-M332 WeakPolarHBondContact O-CG 3.29Å; L328-M332 PolarHBondContact O-N 2.7Å; I329-M332 PolarHBondContact O-N 2.66Å; M332-K334 VanDerWaalsContact C-N 3.35Å; M332-K334 PolarHBondContact O-N 2.91Å; M332-V335 PolarHBondContact O-N 2.92Å; M332-D336 WeakPolarHBondContact O-CB 3.32Å; M332-D336 VanDerWaalsContact O-CG 3.23Å; M332-D336 PolarHBondContact O-N 3.32Å
333H98Very high97.6Very high12 Ų1233.7 Ų33.76%0.05619%0.191CC..Hα-helixtrans-61.8-41.7178.4-17772.6000113.1S2 A4 Y94 I329 H331 H337S2-H333 PolarHBondContact O-CD2 2.93Å; S2-H333 PolarHBondContact O-NE2 3.22Å; A4-H333 HydrophobicContact CB-CB 3.81Å; Y94-H333 HydrophobicContact CE1-CB 4.45Å; Y94-H333 HydrophobicContact CE2-CB 4.18Å; Y94-H333 AromaticContact CE2-ND1 3.51Å; Y94-H333 AromaticContact CZ-ND1 3.78Å; Y94-H333 VanDerWaalsContact OH-CA 3.27Å; Y94-H333 WeakPolarHBondContact OH-CA 3.44Å; Y94-H333 PolarHBondContact OH-ND1 2.92Å; I329-H333 VanDerWaalsContact O-CB 3.26Å; I329-H333 WeakPolarHBondContact O-CB 2.75Å; I329-H333 PolarHBondContact O-N 2.79Å; H331-H333 VanDerWaalsContact C-N 3.28Å; H331-H333 PolarHBondContact O-N 3.27Å; H333-H337 AromaticContact CE1-CE1 3.21Å; H333-H337 PolarHBondContact CE1-CE1 2.68Å; H333-H337 AromaticContact CE1-ND1 3.38Å; H333-H337 PolarHBondContact CE1-ND1 2.93Å; H333-H337 AromaticContact CE1-NE2 3.81Å; H333-H337 AromaticContact CG-ND1 3.93Å; H333-H337 AromaticContact ND1-CE1 3.21Å; H333-H337 PolarHBondContact ND1-CE1 3.22Å; H333-H337 AromaticContact ND1-ND1 3.31Å; H333-H337 PolarHBondContact ND1-ND1 2.96Å; H333-H337 PolarHBondContact O-N 2.92Å; H333-H337 PolarHBondContact O-ND1 3.28Å
334K97.4Very high97.6Very high138 Ų13835.9 Ų35.960%0.620%0.203SC*.Hα-helixtrans-62-45.3173.9-178.3-175.2175.4-173.70111.3M1 T330 H331 M332 A338M1-K334 HydrophobicContact CE-CG 4.48Å; M1-K334 HydrophobicContact SD-CG 4.37Å; T330-K334 PolarHBondContact O-N 2.9Å; T330-K334 VanDerWaalsContact O-N 3.1Å; H331-K334 WeakPolarHBondContact O-CB 3.32Å; H331-K334 PolarHBondContact O-N 3.38Å; H331-K334 VanDerWaalsContact O-N 3.14Å; M332-K334 VanDerWaalsContact C-N 3.35Å; M332-K334 PolarHBondContact O-N 2.91Å; K334-A338 WeakPolarHBondContact O-CB 3.31Å; K334-A338 PolarHBondContact O-N 2.87Å
335V97.6Very high97.5Very high38 Ų3838.1 Ų38.123%0.2322%0.217CC..Hα-helixtrans-63.3-52.7179.1172.80000109.7Y141 K143 H331 M332 H337 A338Y141-V335 HydrophobicContact CD1-CB 3.9Å; Y141-V335 HydrophobicContact CD1-CG1 3.85Å; Y141-V335 HydrophobicContact CD1-CG2 4.17Å; Y141-V335 HydrophobicContact CE1-CB 3.9Å; Y141-V335 HydrophobicContact CE1-CG1 3.86Å; K143-V335 WeakPolarHBondContact CE-O 3.3Å; K143-V335 HydrophobicContact CG-CG1 4.04Å; K143-V335 PolarHBondContact NZ-O 3.22Å; K143-V335 VanDerWaalsContact NZ-O 3.15Å; H331-V335 WeakPolarHBondContact O-CG2 3.36Å; H331-V335 PolarHBondContact O-N 2.88Å; M332-V335 PolarHBondContact O-N 2.92Å; V335-H337 PolarHBondContact O-N 3.29Å; V335-H337 VanDerWaalsContact O-N 3.11Å; V335-A338 WeakPolarHBondContact O-CB 3.25Å; V335-A338 PolarHBondContact O-N 2.91Å
336D97.3Very high97.4Very high33 Ų3341.1 Ų41.118%0.17623%0.233CC..Hα-helixtrans-56.1-32.9-176.8-70.7-12.4000112.9Y94 K119 Y141 K143 M332Y94-D336 PolarHBondContact OH-OD2 2.95Å; Y94-D336 VanDerWaalsContact OH-OD2 3.08Å; K119-D336 WeakPolarHBondContact CE-OD2 3.38Å; K119-D336 IonicContact NZ-OD2 3.78Å; Y141-D336 WeakPolarHBondContact CE1-OD1 3.45Å; Y141-D336 VanDerWaalsContact OH-CG 3.3Å; Y141-D336 PolarHBondContact OH-OD1 2.6Å; Y141-D336 PolarHBondContact OH-OD2 2.94Å; Y141-D336 VanDerWaalsContact OH-OD2 3.11Å; K143-D336 PolarHBondContact NZ-O 3.19Å; M332-D336 WeakPolarHBondContact O-CB 3.32Å; M332-D336 VanDerWaalsContact O-CG 3.23Å; M332-D336 PolarHBondContact O-N 3.32Å
337H95.7Very high97.2Very high81 Ų8144.5 Ų44.538%0.37525%0.253SS..THydrogen-bonded Turntrans-104.48.7-179.3-60.280.3000114.7M1 H333 V335M1-H337 HydrophobicContact CE-CB 4.45Å; M1-H337 HydrophobicContact SD-CB 4.32Å; H333-H337 AromaticContact CE1-CE1 3.21Å; H333-H337 PolarHBondContact CE1-CE1 2.68Å; H333-H337 AromaticContact CE1-ND1 3.38Å; H333-H337 PolarHBondContact CE1-ND1 2.93Å; H333-H337 AromaticContact CE1-NE2 3.81Å; H333-H337 AromaticContact CG-ND1 3.93Å; H333-H337 AromaticContact ND1-CE1 3.21Å; H333-H337 PolarHBondContact ND1-CE1 3.22Å; H333-H337 AromaticContact ND1-ND1 3.31Å; H333-H337 PolarHBondContact ND1-ND1 2.96Å; H333-H337 PolarHBondContact O-N 2.92Å; H333-H337 PolarHBondContact O-ND1 3.28Å; V335-H337 PolarHBondContact O-N 3.29Å; V335-H337 VanDerWaalsContact O-N 3.11Å
338A89.7Confident97.1Very high117 Ų11745.7 Ų45.797%0.96726%0.261SS*.  trans-75.40168.400000111.6K143 K334 V335K143-A338 PolarHBondContact NZ-O 3.11Å; K334-A338 WeakPolarHBondContact O-CB 3.31Å; K334-A338 PolarHBondContact O-N 2.87Å; V335-A338 WeakPolarHBondContact O-CB 3.25Å; V335-A338 PolarHBondContact O-N 2.91Å

Retrieved 338 of 338 residues in 364.2 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).