A0A096MF83_POEFO Loading...

Oxaloacetate tautomerase FAHD1, mitochondrial

AlphaFold DB , UniProt , Accession A0A096MF83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1P43.9Very low78.3Confident177 Ų177103.8 Ų103.8100%1.14958%0.583SS**  0106.40914.1000110M3P1-M3 PolarHBondContact O-N 2.71Å
2T46.6Very low80Confident146 Ų14698.4 Ų98.490%0.89655%0.546SS*.PPolyproline II helixtrans-58.2116.2170.726.20000108.3A4T2-A4 PolarHBondContact O-N 3.01Å; T2-A4 VanDerWaalsContact O-N 3.12Å
3M55.1Low81.4Confident181 Ų18199 Ų9989%0.89254%0.542SS*.PPolyproline II helixtrans-57.8120.1171.8-79.9-170.3-88.800107.3P1 V5P1-M3 PolarHBondContact O-N 2.71Å; M3-V5 PolarHBondContact O-N 2.95Å
4A63.9Low82.5Confident88 Ų8895 Ų9573%0.72752%0.515SS*.PPolyproline II helixtrans-54.4127.5172.200000108T2 R6T2-A4 PolarHBondContact O-N 3.01Å; T2-A4 VanDerWaalsContact O-N 3.12Å; A4-R6 PolarHBondContact O-N 3.38Å
5V76.1Confident83.5Confident145 Ų14588.9 Ų88.988%0.87948%0.484SS*.  trans-58114.9176.4179.10000107.1M3M3-V5 PolarHBondContact O-N 2.95Å
6R89.5Confident84.4Confident106 Ų10692 Ų9240%0.449%0.486SS..  trans-76.5131.7-179.9-62.4-177.6173.7-167.6-11.9108.4A4 I8 W14A4-R6 PolarHBondContact O-N 3.38Å; R6-I8 PolarHBondContact O-N 3.06Å; R6-W14 HydrophobicContact CB-CD2 3.98Å; R6-W14 HydrophobicContact CB-CE3 4.35Å; R6-W14 HydrophobicContact CB-CH2 3.86Å; R6-W14 HydrophobicContact CB-CZ2 3.54Å; R6-W14 HydrophobicContact CB-CZ3 4.24Å; R6-W14 HydrophobicContact CG-CD2 4.32Å; R6-W14 HydrophobicContact CG-CE3 4.47Å
7N95.3Very high85.2Confident91 Ų9188.5 Ų88.549%0.48747%0.466SS..  trans-79.1107.1178.3-175.8-3.2000109.4S9 R10 W14N7-S9 PolarHBondContact ND2-OG 2.76Å; N7-S9 PolarHBondContact O-N 3.06Å; N7-S9 WeakPolarHBondContact OD1-CB 3.4Å; N7-S9 PolarHBondContact OD1-N 3.24Å; N7-S9 VanDerWaalsContact OD1-N 3.07Å; N7-S9 PolarHBondContact OD1-OG 2.75Å; N7-R10 PolarHBondContact O-N 3.02Å; N7-W14 PolarHBondContact O-NE1 3.14Å
8I97.4Very high86Confident36 Ų3683.6 Ų83.619%0.18544%0.44CS..G310 helixtrans-61.4-24.9-179.7-159.965.8000113.2R6 R10 F11 W14 V75 A93 F132 E182R6-I8 PolarHBondContact O-N 3.06Å; I8-R10 PolarHBondContact O-N 2.81Å; I8-R10 VanDerWaalsContact O-N 3.09Å; I8-F11 HydrophobicContact CD1-CB 4.23Å; I8-F11 WeakPolarHBondContact O-CB 3.16Å; I8-F11 PolarHBondContact O-N 2.8Å; I8-F11 VanDerWaalsContact O-N 3.11Å; I8-W14 HydrophobicContact CD1-CH2 3.75Å; I8-W14 HydrophobicContact CD1-CZ2 3.71Å; I8-V75 HydrophobicContact CD1-CG1 3.87Å; I8-V75 HydrophobicContact CG1-CG1 4.13Å; I8-A93 HydrophobicContact CD1-CB 4.31Å; I8-A93 HydrophobicContact CG1-CB 3.7Å; I8-F132 HydrophobicContact CG1-CE2 4.32Å; I8-F132 HydrophobicContact CG2-CE1 4.22Å; I8-F132 HydrophobicContact CG2-CZ 4.14Å; I8-E182 HydrophobicContact CD1-CG 4.42Å
9S97.6Very high86.7Confident45 Ų4579.2 Ų79.232%0.31542%0.417SS..G310 helixtrans-64.9-13.317467.40000113.7N7 W12N7-S9 PolarHBondContact ND2-OG 2.76Å; N7-S9 PolarHBondContact O-N 3.06Å; N7-S9 WeakPolarHBondContact OD1-CB 3.4Å; N7-S9 PolarHBondContact OD1-N 3.24Å; N7-S9 VanDerWaalsContact OD1-N 3.07Å; N7-S9 PolarHBondContact OD1-OG 2.75Å; S9-W12 WeakPolarHBondContact O-CH2 3.33Å; S9-W12 WeakPolarHBondContact O-CZ3 3.26Å
10R97.8Very high87.3Confident127 Ų12775.2 Ų75.248%0.47940%0.396SS..G310 helixtrans-119.635.2174.6-61177.771.2172.6-1111.6N7 I8 W12 E13 W14N7-R10 PolarHBondContact O-N 3.02Å; I8-R10 PolarHBondContact O-N 2.81Å; I8-R10 VanDerWaalsContact O-N 3.09Å; R10-W12 HydrophobicContact CB-CZ2 4.29Å; R10-W12 HydrophobicContact CG-CZ2 4.17Å; R10-W12 PolarHBondContact O-N 2.88Å; R10-E13 HydrophobicContact CB-CG 4.34Å; R10-E13 IonicContact CZ-OE1 3.9Å; R10-E13 IonicContact CZ-OE2 3.04Å; R10-E13 IonicContact NE-OE1 2.74Å; R10-E13 PolarHBondContact NE-OE1 2.91Å; R10-E13 IonicContact NE-OE2 2.98Å; R10-E13 PolarHBondContact NE-OE2 3.27Å; R10-E13 IonicContact NH2-OE1 2.65Å; R10-E13 PolarHBondContact NH2-OE1 2.91Å; R10-E13 IonicContact NH2-OE2 2.64Å; R10-E13 PolarHBondContact NH2-OE2 2.81Å; R10-E13 VanDerWaalsContact NH2-OE2 3.08Å; R10-E13 WeakPolarHBondContact O-CB 3.42Å; R10-E13 PolarHBondContact O-N 2.89Å; R10-W14 VanDerWaalsContact O-CD1 3.31Å; R10-W14 PolarHBondContact O-NE1 2.79Å
11F98.5Very high87.8Confident0 Ų071.6 Ų71.60%038%0.377CS..G310 helixtrans-53-31.2-174.572.4-85.8000113.8I8 E13 W14 G15 Y50 V75 A96 V129 F132 L185I8-F11 HydrophobicContact CD1-CB 4.23Å; I8-F11 WeakPolarHBondContact O-CB 3.16Å; I8-F11 PolarHBondContact O-N 2.8Å; I8-F11 VanDerWaalsContact O-N 3.11Å; F11-E13 PolarHBondContact O-N 2.75Å; F11-E13 VanDerWaalsContact O-N 3.09Å; F11-W14 PolarHBondContact O-N 2.85Å; F11-G15 WeakPolarHBondContact O-CA 3.3Å; F11-G15 PolarHBondContact O-N 3.46Å; F11-Y50 HydrophobicContact CE2-CE1 4.03Å; F11-Y50 AromaticContact CE2-CZ 3.84Å; F11-Y50 WeakPolarHBondContact CE2-OH 3.4Å; F11-V75 HydrophobicContact CB-CG1 4.02Å; F11-V75 HydrophobicContact CD1-CG1 4.11Å; F11-V75 HydrophobicContact CD1-CG2 3.92Å; F11-V75 HydrophobicContact CD2-CG1 4.21Å; F11-V75 HydrophobicContact CD2-CG2 4.26Å; F11-V75 HydrophobicContact CE1-CG2 3.67Å; F11-V75 HydrophobicContact CE2-CG2 4.04Å; F11-V75 HydrophobicContact CG-CG1 3.85Å; F11-V75 HydrophobicContact CG-CG2 4.2Å; F11-V75 HydrophobicContact CZ-CG2 3.73Å; F11-A96 HydrophobicContact CE1-CB 4.15Å; F11-A96 HydrophobicContact CZ-CB 3.95Å; F11-V129 HydrophobicContact CE1-CG2 4.49Å; F11-V129 HydrophobicContact CZ-CG2 3.71Å; F11-F132 HydrophobicContact CD1-CB 4.41Å; F11-F132 HydrophobicContact CD1-CD2 4.22Å; F11-F132 HydrophobicContact CE1-CB 4.42Å; F11-F132 HydrophobicContact CE1-CD2 4.44Å; F11-L185 HydrophobicContact CE2-CB 4.19Å; F11-L185 HydrophobicContact CE2-CD1 4.04Å; F11-L185 HydrophobicContact CE2-CD2 4.08Å; F11-L185 HydrophobicContact CE2-CG 4.35Å; F11-L185 HydrophobicContact CZ-CD1 4.24Å
12W98.4Very high90.2Very high39 Ų3963.8 Ų63.815%0.14833%0.328CS..G310 helixtrans-61-17.217855.684.6000114.4S9 R10 Y50 V129 F132S9-W12 WeakPolarHBondContact O-CH2 3.33Å; S9-W12 WeakPolarHBondContact O-CZ3 3.26Å; R10-W12 HydrophobicContact CB-CZ2 4.29Å; R10-W12 HydrophobicContact CG-CZ2 4.17Å; R10-W12 PolarHBondContact O-N 2.88Å; W12-Y50 HydrophobicContact CB-CD1 4.12Å; W12-Y50 HydrophobicContact CB-CD2 3.78Å; W12-Y50 HydrophobicContact CB-CE1 4.43Å; W12-Y50 HydrophobicContact CB-CE2 4.13Å; W12-Y50 HydrophobicContact CB-CG 3.78Å; W12-Y50 WeakPolarHBondContact O-CD2 3.41Å; W12-V129 HydrophobicContact CB-CG1 4.46Å; W12-F132 HydrophobicContact CZ3-CB 4.39Å
13E97.9Very high92.2Very high106 Ų10659.8 Ų59.850%0.49530%0.297SS..G310 helixtrans-85.8-18.5-178.9-61.4-179.6-178.500113.6R10 F11R10-E13 HydrophobicContact CB-CG 4.34Å; R10-E13 IonicContact CZ-OE1 3.9Å; R10-E13 IonicContact CZ-OE2 3.04Å; R10-E13 IonicContact NE-OE1 2.74Å; R10-E13 PolarHBondContact NE-OE1 2.91Å; R10-E13 IonicContact NE-OE2 2.98Å; R10-E13 PolarHBondContact NE-OE2 3.27Å; R10-E13 IonicContact NH2-OE1 2.65Å; R10-E13 PolarHBondContact NH2-OE1 2.91Å; R10-E13 IonicContact NH2-OE2 2.64Å; R10-E13 PolarHBondContact NH2-OE2 2.81Å; R10-E13 VanDerWaalsContact NH2-OE2 3.08Å; R10-E13 WeakPolarHBondContact O-CB 3.42Å; R10-E13 PolarHBondContact O-N 2.89Å; F11-E13 PolarHBondContact O-N 2.75Å; F11-E13 VanDerWaalsContact O-N 3.09Å
14W97.6Very high94.2Very high43 Ų4351.1 Ų51.116%0.16325%0.254CS..THydrogen-bonded Turntrans-143.7-12.3-169.159.3-99.8000114.5R6 N7 I8 R10 F11 E182R6-W14 HydrophobicContact CB-CD2 3.98Å; R6-W14 HydrophobicContact CB-CE3 4.35Å; R6-W14 HydrophobicContact CB-CH2 3.86Å; R6-W14 HydrophobicContact CB-CZ2 3.54Å; R6-W14 HydrophobicContact CB-CZ3 4.24Å; R6-W14 HydrophobicContact CG-CD2 4.32Å; R6-W14 HydrophobicContact CG-CE3 4.47Å; N7-W14 PolarHBondContact O-NE1 3.14Å; I8-W14 HydrophobicContact CD1-CH2 3.75Å; I8-W14 HydrophobicContact CD1-CZ2 3.71Å; R10-W14 VanDerWaalsContact O-CD1 3.31Å; R10-W14 PolarHBondContact O-NE1 2.79Å; F11-W14 PolarHBondContact O-N 2.85Å; W14-E182 HydrophobicContact CH2-CB 4.35Å; W14-E182 HydrophobicContact CH2-CG 3.86Å; W14-E182 VanDerWaalsContact CZ3-C 3.49Å; W14-E182 HydrophobicContact CZ3-CB 4.33Å; W14-E182 HydrophobicContact CZ3-CG 4.34Å; W14-E182 WeakPolarHBondContact CZ3-O 3.43Å
15G97.3Very high95.5Very high4 Ų447 Ų474%0.04122%0.22CC..  trans-57.5143.5171.900000110.6F11 P47 G183F11-G15 WeakPolarHBondContact O-CA 3.3Å; F11-G15 PolarHBondContact O-N 3.46Å; G15-P47 WeakPolarHBondContact O-CG 3.43Å; G15-G183 WeakPolarHBondContact CA-O 3.45Å
16R97.6Very high95.8Very high138 Ų13841.5 Ų41.552%0.52119%0.189SC..  trans-100.7-28.5-164.1-71.6175.9168-175.90.3113.2P47 E181 D184R16-P47 WeakPolarHBondContact O-CG 3.27Å; R16-E181 WeakPolarHBondContact CD-OE2 3.47Å; R16-E181 IonicContact CZ-OE2 3.47Å; R16-E181 IonicContact NE-OE2 3.63Å; R16-E181 IonicContact NH1-OE2 2.63Å; R16-E181 PolarHBondContact NH1-OE2 3.39Å; R16-D184 PolarHBondContact N-OD1 3.11Å
17K98.3Very high95.3Very high32 Ų3239.5 Ų39.514%0.13919%0.186CC..  trans-147.415117950.7-174.4179-690112.4I19 I178 S179 E181 D184 L185K17-I19 HydrophobicContact CD-CD1 4.01Å; K17-I19 HydrophobicContact CD-CG1 4.41Å; K17-I19 HydrophobicContact CG-CD1 4.33Å; K17-I178 HydrophobicContact CD-CG2 4.01Å; K17-S179 WeakPolarHBondContact CE-O 3.25Å; K17-S179 PolarHBondContact NZ-O 3.13Å; K17-E181 IonicContact NZ-OE1 3.01Å; K17-E181 PolarHBondContact NZ-OE1 2.96Å; K17-D184 WeakPolarHBondContact CE-OD2 3.46Å; K17-D184 HydrophobicContact CG-CB 4.17Å; K17-D184 WeakPolarHBondContact CG-OD1 3.46Å; K17-D184 WeakPolarHBondContact CG-OD2 3.48Å; K17-D184 PolarHBondContact N-OD1 3.37Å; K17-D184 VanDerWaalsContact N-OD1 3.16Å; K17-D184 IonicContact NZ-OD1 3.83Å; K17-D184 IonicContact NZ-OD2 2.58Å; K17-D184 PolarHBondContact NZ-OD2 3.11Å; K17-L185 PolarHBondContact O-N 3.29Å; K17-L185 VanDerWaalsContact O-N 3.14Å
18I98.9Very high94.5Very high0 Ų035.6 Ų35.60%017%0.165CC..EExtended strand (participates in β ladder)trans-117115.3170.3-54166.7000106.1L44 K45 A49 Y50 C127 L185 L187I18-L44 WeakPolarHBondContact O-CA 3.46Å; I18-K45 HydrophobicContact CB-CB 3.98Å; I18-K45 HydrophobicContact CD1-CB 4.07Å; I18-K45 HydrophobicContact CG2-CB 4.25Å; I18-K45 HydrophobicContact CG2-CD 4.42Å; I18-K45 PolarHBondContact N-O 3.34Å; I18-K45 PolarHBondContact O-N 3.16Å; I18-A49 HydrophobicContact CD1-CB 4.32Å; I18-Y50 HydrophobicContact CD1-CD1 3.89Å; I18-Y50 HydrophobicContact CD1-CD2 4.1Å; I18-Y50 HydrophobicContact CD1-CE1 3.56Å; I18-Y50 HydrophobicContact CD1-CE2 3.78Å; I18-Y50 HydrophobicContact CD1-CG 4.15Å; I18-Y50 HydrophobicContact CG1-CE1 3.95Å; I18-Y50 HydrophobicContact CG1-CE2 3.93Å; I18-Y50 VanDerWaalsContact CG1-CZ 3.5Å; I18-Y50 WeakPolarHBondContact CG1-OH 3.38Å; I18-C127 HydrophobicContact CD1-CB 4.06Å; I18-L185 CarbonylContact C-O 3.51Å; I18-L185 WeakPolarHBondContact CA-O 3.45Å; I18-L185 HydrophobicContact CG1-CB 4.48Å; I18-L185 HydrophobicContact CG2-CB 4.45Å; I18-L185 HydrophobicContact CG2-CD2 4.17Å; I18-L185 HydrophobicContact CG2-CG 4.48Å; I18-L187 HydrophobicContact CG2-CD1 3.96Å
19I98.9Very high93.3Very high0 Ų033.9 Ų33.90%016%0.156CC..EExtended strand (participates in β ladder)trans-105.8124.4179.5-60155.7000107.2K17 L42 L44 I174 I178 L180 L185 I186 L187K17-I19 HydrophobicContact CD-CD1 4.01Å; K17-I19 HydrophobicContact CD-CG1 4.41Å; K17-I19 HydrophobicContact CG-CD1 4.33Å; I19-L42 HydrophobicContact CG2-CD2 4.44Å; I19-L44 HydrophobicContact CB-CD2 4.22Å; I19-L44 HydrophobicContact CG1-CD2 3.57Å; I19-L44 HydrophobicContact CG2-CD2 4.46Å; I19-I174 HydrophobicContact CD1-CG2 3.73Å; I19-I174 HydrophobicContact CG2-CD1 3.85Å; I19-I174 HydrophobicContact CG2-CG1 4.23Å; I19-I174 HydrophobicContact CG2-CG2 4.06Å; I19-I178 HydrophobicContact CD1-CG2 4.08Å; I19-L180 HydrophobicContact CD1-CD2 3.64Å; I19-L185 PolarHBondContact N-O 2.88Å; I19-I186 CarbonylContact O-C 3.59Å; I19-I186 WeakPolarHBondContact O-CA 3.42Å; I19-L187 PolarHBondContact O-N 3.5Å
20C98.9Very high92.3Very high0 Ų038.2 Ų38.20%017%0.17CC..EExtended strand (participates in β ladder)trans-115.4144.9-173.6-51.90000110.3L42 F43 L187C20-L42 WeakPolarHBondContact O-CA 2.88Å; C20-F43 HydrophobicContact CB-CD1 4.12Å; C20-F43 HydrophobicContact CB-CD2 3.73Å; C20-F43 HydrophobicContact CB-CE1 3.66Å; C20-F43 HydrophobicContact CB-CE2 3.21Å; C20-F43 HydrophobicContact CB-CG 4.15Å; C20-F43 HydrophobicContact CB-CZ 3.16Å; C20-F43 PolarHBondContact N-O 3.47Å; C20-F43 PolarHBondContact O-N 3.2Å; C20-F43 VanDerWaalsContact O-N 3.13Å; C20-L187 HydrophobicContact CB-CB 4Å
21V98.3Very high91.4Very high0 Ų036.1 Ų36.10%017%0.165CC..EExtended strand (participates in β ladder)trans-112.3112.5-178.7-1770000110.3N24 P40 V41 L42 L170 I174 I186 L187 G189V21-N24 HydrophobicContact CG1-CB 4.08Å; V21-P40 HydrophobicContact CG1-CB 3.98Å; V21-V41 CarbonylContact C-O 3.6Å; V21-V41 WeakPolarHBondContact CA-O 3.39Å; V21-L42 HydrophobicContact CG2-CD2 3.92Å; V21-L170 HydrophobicContact CB-CD2 4.49Å; V21-L170 HydrophobicContact CG1-CD2 3.94Å; V21-L170 HydrophobicContact CG2-CD1 4.08Å; V21-L170 HydrophobicContact CG2-CD2 3.87Å; V21-L170 HydrophobicContact CG2-CG 4.49Å; V21-I174 HydrophobicContact CG2-CD1 4.26Å; V21-I186 HydrophobicContact CG2-CG2 4.38Å; V21-L187 WeakPolarHBondContact CB-O 3.41Å; V21-L187 WeakPolarHBondContact CG2-O 3.48Å; V21-L187 PolarHBondContact N-O 3.13Å; V21-G189 VanDerWaalsContact O-CA 3.24Å; V21-G189 WeakPolarHBondContact O-CA 3.43Å; V21-G189 PolarHBondContact O-N 3.44Å
22G93.8Very high90.3Very high12 Ų1238.9 Ų38.912%0.12418%0.18CC..EExtended strand (participates in β ladder)trans-77146.5173.600000112.4N24 V41G22-N24 PolarHBondContact O-N 3.47Å; G22-V41 PolarHBondContact N-O 2.96Å
23R89.8Confident89.5Confident62 Ų6246.5 Ų46.523%0.23421%0.214CC..THydrogen-bonded Turntrans60.635.8168.3-51.9179.2-177.5177.82.6114.8Y25 N34 P37 I164R23-Y25 VanDerWaalsContact C-N 3.31Å; R23-Y25 PolarHBondContact O-N 3.01Å; R23-N34 VanDerWaalsContact CZ-CG 3.44Å; R23-N34 PolarHBondContact NH2-OD1 2.8Å; R23-P37 HydrophobicContact CB-CG 4.06Å; R23-I164 WeakPolarHBondContact O-CD1 3.45Å
24N95.9Very high88.4Confident0 Ų043.1 Ų43.10%020%0.199CC..  trans-83.9-0.8179.3-157.421.3000114.5V21 G22 M163 I164 F165 T188V21-N24 HydrophobicContact CG1-CB 4.08Å; G22-N24 PolarHBondContact O-N 3.47Å; N24-M163 CarbonylContact O-C 3.47Å; N24-M163 WeakPolarHBondContact O-CA 3.46Å; N24-I164 PolarHBondContact O-N 3.01Å; N24-I164 PolarHBondContact OD1-N 3.35Å; N24-F165 PolarHBondContact ND2-O 2.88Å; N24-F165 WeakPolarHBondContact OD1-CA 3.41Å; N24-F165 VanDerWaalsContact OD1-CB 3.31Å; N24-F165 WeakPolarHBondContact OD1-CB 3.23Å; N24-F165 VanDerWaalsContact OD1-CD2 3.25Å; N24-F165 WeakPolarHBondContact OD1-CD2 3.15Å; N24-F165 PolarHBondContact OD1-N 3.35Å; N24-F165 PolarHBondContact OD1-O 3.34Å; N24-T188 WeakPolarHBondContact CB-O 3.22Å; N24-T188 PolarHBondContact ND2-O 3.32Å
25Y92.9Very high87.7Confident2 Ų244.7 Ų44.71%0.00822%0.222CC..BIsolated β-bridgetrans-119.4125.9174.7-72.8-107.6000109.9R23 D27 H28 A29 C159 Q162 M163 G189 T190 P191R23-Y25 VanDerWaalsContact C-N 3.31Å; R23-Y25 PolarHBondContact O-N 3.01Å; Y25-D27 VanDerWaalsContact C-N 3.33Å; Y25-D27 PolarHBondContact O-N 3.23Å; Y25-H28 PolarHBondContact O-N 3.02Å; Y25-H28 VanDerWaalsContact O-N 3.17Å; Y25-A29 PolarHBondContact O-N 3.01Å; Y25-C159 WeakPolarHBondContact CE1-O 3.49Å; Y25-Q162 HydrophobicContact CD1-CB 3.85Å; Y25-Q162 HydrophobicContact CE1-CB 4.13Å; Y25-M163 HydrophobicContact CD2-CG 4.47Å; Y25-M163 HydrophobicContact CE1-CG 4.36Å; Y25-M163 HydrophobicContact CE2-CE 4Å; Y25-M163 HydrophobicContact CE2-CG 3.8Å; Y25-M163 WeakPolarHBondContact OH-CE 3.36Å; Y25-G189 WeakPolarHBondContact CE2-O 2.97Å; Y25-T190 WeakPolarHBondContact CB-O 3.37Å; Y25-T190 VanDerWaalsContact CD2-C 3.48Å; Y25-T190 VanDerWaalsContact CD2-O 3.26Å; Y25-T190 WeakPolarHBondContact CD2-O 3.16Å; Y25-P191 HydrophobicContact CD1-CB 3.94Å; Y25-P191 HydrophobicContact CE1-CB 4.06Å; Y25-P191 HydrophobicContact CG-CB 4.37Å
26A80.6Confident86.7Confident29 Ų2948.9 Ų48.924%0.2424%0.242CC..Hα-helixtrans-60.4-40.3-174.400000113.1A29 K30 I36 I164A26-A29 PolarHBondContact O-N 2.97Å; A26-K30 WeakPolarHBondContact O-CG 3.3Å; A26-K30 PolarHBondContact O-N 2.88Å; A26-K30 VanDerWaalsContact O-N 3.12Å; A26-I36 HydrophobicContact CB-CD1 4.48Å; A26-I164 HydrophobicContact CB-CD1 4.38Å; A26-I164 HydrophobicContact CB-CG1 4.4Å
27D80.6Confident86Confident63 Ų6343.3 Ų43.334%0.33722%0.224SC..Hα-helixtrans-66.6-37.7178.4-86.29.5000112.3Y25 K30 E31 K192Y25-D27 VanDerWaalsContact C-N 3.33Å; Y25-D27 PolarHBondContact O-N 3.23Å; D27-K30 PolarHBondContact O-N 2.89Å; D27-E31 WeakPolarHBondContact O-CB 3.29Å; D27-E31 PolarHBondContact O-N 2.9Å; D27-K192 HydrophobicContact CB-CB 4.22Å; D27-K192 HydrophobicContact CB-CD 4.07Å; D27-K192 HydrophobicContact CB-CG 4.47Å; D27-K192 IonicContact OD2-NZ 2.75Å; D27-K192 PolarHBondContact OD2-NZ 2.97Å
28H77.4Confident85.5Confident9 Ų948.1 Ų48.14%0.04226%0.256CS..Hα-helixtrans-70.1-38.8176.6-179.756000111.8Y25 K30 E31 L32 T190 V194Y25-H28 PolarHBondContact O-N 3.02Å; Y25-H28 VanDerWaalsContact O-N 3.17Å; H28-K30 VanDerWaalsContact C-N 3.29Å; H28-K30 PolarHBondContact O-N 2.88Å; H28-E31 IonicContact CE1-OE2 3.08Å; H28-E31 IonicContact ND1-OE2 2.63Å; H28-E31 PolarHBondContact ND1-OE2 3.46Å; H28-E31 WeakPolarHBondContact O-CB 3.42Å; H28-E31 PolarHBondContact O-N 2.83Å; H28-L32 VanDerWaalsContact CE1-CD1 3.43Å; H28-L32 WeakPolarHBondContact CE1-CD1 3.41Å; H28-L32 PolarHBondContact O-N 3.33Å; H28-T190 WeakPolarHBondContact CB-O 3.21Å; H28-V194 VanDerWaalsContact CE1-CG1 3.49Å; H28-V194 WeakPolarHBondContact CE1-CG1 3.4Å
29A73.4Confident85.2Confident0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-58.7-42.4173.100000111.5Y25 A26 K33 N34Y25-A29 PolarHBondContact O-N 3.01Å; A26-A29 PolarHBondContact O-N 2.97Å; A29-K33 PolarHBondContact O-N 2.86Å; A29-N34 PolarHBondContact O-N 2.92Å
30K75.8Confident85Confident136 Ų13653.4 Ų53.459%0.59128%0.281SS*.Hα-helixtrans-66.7-43.1175.8-70.6172.7-174.8171.30112.9A26 D27 H28 L32 K33A26-K30 WeakPolarHBondContact O-CG 3.3Å; A26-K30 PolarHBondContact O-N 2.88Å; A26-K30 VanDerWaalsContact O-N 3.12Å; D27-K30 PolarHBondContact O-N 2.89Å; H28-K30 VanDerWaalsContact C-N 3.29Å; H28-K30 PolarHBondContact O-N 2.88Å; K30-L32 PolarHBondContact O-N 2.86Å; K30-K33 PolarHBondContact O-N 2.97Å
31E79.6Confident84.9Confident83 Ų8355.6 Ų55.639%0.38830%0.295SS..Hα-helixtrans-52.8-43.7177.6174.3-179.9-135.300111.6D27 H28 K33 K192 G193D27-E31 WeakPolarHBondContact O-CB 3.29Å; D27-E31 PolarHBondContact O-N 2.9Å; H28-E31 IonicContact CE1-OE2 3.08Å; H28-E31 IonicContact ND1-OE2 2.63Å; H28-E31 PolarHBondContact ND1-OE2 3.46Å; H28-E31 WeakPolarHBondContact O-CB 3.42Å; H28-E31 PolarHBondContact O-N 2.83Å; E31-K33 VanDerWaalsContact C-N 3.32Å; E31-K33 PolarHBondContact O-N 3.31Å; E31-K192 WeakPolarHBondContact OE2-CA 3.15Å; E31-G193 WeakPolarHBondContact OE1-CA 3.36Å; E31-G193 PolarHBondContact OE1-N 3.35Å; E31-G193 PolarHBondContact OE2-N 3.41Å
32L74.3Confident84.9Confident58 Ų5858.2 Ų58.230%0.30431%0.308SS..THydrogen-bonded Turntrans-91.516.1179-61.1-177.2000114H28 K30 N34 V194H28-L32 VanDerWaalsContact CE1-CD1 3.43Å; H28-L32 WeakPolarHBondContact CE1-CD1 3.41Å; H28-L32 PolarHBondContact O-N 3.33Å; K30-L32 PolarHBondContact O-N 2.86Å; L32-N34 VanDerWaalsContact CB-ND2 3.31Å; L32-N34 WeakPolarHBondContact CB-ND2 3.16Å; L32-N34 PolarHBondContact O-N 3.42Å; L32-N34 VanDerWaalsContact O-N 3.14Å; L32-N34 PolarHBondContact O-ND2 2.8Å; L32-V194 HydrophobicContact CD2-CG2 4.43Å
33K80.9Confident85.1Confident200 Ų20058.8 Ų58.887%0.8731%0.307SS*.THydrogen-bonded Turntrans52.333.4179.3-57.8-179.9-177.6176.30114.2A29 K30 E31A29-K33 PolarHBondContact O-N 2.86Å; K30-K33 PolarHBondContact O-N 2.97Å; E31-K33 VanDerWaalsContact C-N 3.32Å; E31-K33 PolarHBondContact O-N 3.31Å
34N76.6Confident85.5Confident34 Ų3460.2 Ų60.218%0.18232%0.319CS..PPolyproline II helixtrans-96.2150.1177.4-65.2-55.9000110.7R23 A29 L32R23-N34 VanDerWaalsContact CZ-CG 3.44Å; R23-N34 PolarHBondContact NH2-OD1 2.8Å; A29-N34 PolarHBondContact O-N 2.92Å; L32-N34 VanDerWaalsContact CB-ND2 3.31Å; L32-N34 WeakPolarHBondContact CB-ND2 3.16Å; L32-N34 PolarHBondContact O-N 3.42Å; L32-N34 VanDerWaalsContact O-N 3.14Å; L32-N34 PolarHBondContact O-ND2 2.8Å
35A81.1Confident85.7Confident77 Ų7760.4 Ų60.464%0.63632%0.32SS*.PPolyproline II helixtrans-65.8146.7167.500000110.7P37A35-P37 WeakPolarHBondContact O-CD 3.32Å
36I78.1Confident85.9Confident91 Ų9162.6 Ų62.647%0.46734%0.335SS..PPolyproline II helixtrans-64.8120.1168.5-61.6176000106.7A26 I164A26-I36 HydrophobicContact CB-CD1 4.48Å; I36-I164 HydrophobicContact CG2-CD1 3.92Å
37P81.4Confident86.8Confident22 Ų2263.9 Ų63.914%0.14334%0.34CS..PPolyproline II helixtrans-73.8148.1-177.234.2-37.7000110.6R23 A35 E39 F165R23-P37 HydrophobicContact CB-CG 4.06Å; A35-P37 WeakPolarHBondContact O-CD 3.32Å; P37-E39 WeakPolarHBondContact CB-O 3.39Å; P37-F165 HydrophobicContact CG-CE2 4.13Å
38T88.2Confident87.6Confident132 Ų13264.4 Ų64.481%0.8135%0.349SS*.SBendtrans-81.7-20.8173.651.80000112.5
39E92.7Very high88.7Confident105 Ų10564 Ų6449%0.49135%0.347SS..SBendtrans-135.8152.6175.9-66.6-174.4-16700110.7P37 V41 Y173P37-E39 WeakPolarHBondContact CB-O 3.39Å; E39-V41 PolarHBondContact O-N 3.19Å; E39-Y173 HydrophobicContact CB-CE2 4.28Å; E39-Y173 HydrophobicContact CG-CE2 4.31Å; E39-Y173 PolarHBondContact OE2-OH 2.94Å
40P94.9Very high89.9Confident7 Ų765.2 Ų65.25%0.04535%0.352CS..PPolyproline II helixtrans-58.3132.5178.6-23.833.5000113.3V21 L42 F165 Y169 L170 Y173V21-P40 HydrophobicContact CG1-CB 3.98Å; P40-L42 HydrophobicContact CB-CD2 4.07Å; P40-L42 PolarHBondContact O-N 3.48Å; P40-F165 HydrophobicContact CB-CD2 4.33Å; P40-F165 HydrophobicContact CB-CE2 4.46Å; P40-F165 HydrophobicContact CG-CD1 4.28Å; P40-F165 HydrophobicContact CG-CD2 3.85Å; P40-F165 HydrophobicContact CG-CE1 4.48Å; P40-F165 HydrophobicContact CG-CE2 4.07Å; P40-F165 HydrophobicContact CG-CG 3.97Å; P40-F165 HydrophobicContact CG-CZ 4.39Å; P40-Y169 HydrophobicContact CG-CD1 4.45Å; P40-Y169 HydrophobicContact CG-CE1 3.81Å; P40-L170 HydrophobicContact CB-CD2 4.06Å; P40-L170 HydrophobicContact CG-CD2 3.8Å; P40-Y173 HydrophobicContact CB-CD1 4.16Å; P40-Y173 HydrophobicContact CB-CE1 4.11Å; P40-Y173 HydrophobicContact CG-CD1 3.81Å; P40-Y173 HydrophobicContact CG-CE1 4.03Å; P40-Y173 HydrophobicContact CG-CG 4.15Å
41V95.6Very high90.9Very high46 Ų4659.2 Ų59.228%0.27933%0.326SS..EExtended strand (participates in β ladder)trans-83.2116169.6178.50000108.6V21 G22 E39 W117V21-V41 CarbonylContact C-O 3.6Å; V21-V41 WeakPolarHBondContact CA-O 3.39Å; G22-V41 PolarHBondContact N-O 2.96Å; E39-V41 PolarHBondContact O-N 3.19Å; V41-W117 HydrophobicContact CG1-CH2 4.26Å; V41-W117 HydrophobicContact CG1-CZ3 4.43Å
42L98.4Very high91.8Very high54 Ų5457.3 Ų57.328%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-102140.4-178-55.8-177.4000112.2I19 C20 V21 P40 Y173 I174I19-L42 HydrophobicContact CG2-CD2 4.44Å; C20-L42 WeakPolarHBondContact O-CA 2.88Å; V21-L42 HydrophobicContact CG2-CD2 3.92Å; P40-L42 HydrophobicContact CB-CD2 4.07Å; P40-L42 PolarHBondContact O-N 3.48Å; L42-Y173 HydrophobicContact CD1-CD1 4.25Å; L42-Y173 HydrophobicContact CD1-CE1 4Å; L42-Y173 HydrophobicContact CG-CE1 4.38Å; L42-I174 HydrophobicContact CD1-CG1 3.89Å; L42-I174 HydrophobicContact CD2-CD1 4.12Å; L42-I174 HydrophobicContact CD2-CG1 3.82Å
43F98.8Very high92.9Very high25 Ų2559.2 Ų59.211%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-146.4169.8166.159.9-81.4000110C20 D100 W117 K121C20-F43 HydrophobicContact CB-CD1 4.12Å; C20-F43 HydrophobicContact CB-CD2 3.73Å; C20-F43 HydrophobicContact CB-CE1 3.66Å; C20-F43 HydrophobicContact CB-CE2 3.21Å; C20-F43 HydrophobicContact CB-CG 4.15Å; C20-F43 HydrophobicContact CB-CZ 3.16Å; C20-F43 PolarHBondContact N-O 3.47Å; C20-F43 PolarHBondContact O-N 3.2Å; C20-F43 VanDerWaalsContact O-N 3.13Å; F43-D100 WeakPolarHBondContact CZ-OD2 3.45Å; F43-W117 HydrophobicContact CD1-CE3 4.22Å; F43-W117 HydrophobicContact CD1-CZ3 4.26Å; F43-W117 HydrophobicContact CG-CE3 4.44Å; F43-K121 HydrophobicContact CD2-CB 3.8Å; F43-K121 HydrophobicContact CD2-CD 4.31Å; F43-K121 HydrophobicContact CD2-CG 3.91Å; F43-K121 HydrophobicContact CE2-CB 3.8Å; F43-K121 HydrophobicContact CE2-CD 3.56Å; F43-K121 HydrophobicContact CE2-CG 3.69Å; F43-K121 HydrophobicContact CZ-CD 3.89Å; F43-K121 HydrophobicContact CZ-CG 4.3Å
44L98.8Very high93.7Very high92 Ų9253.5 Ų53.548%0.48232%0.321SS..EExtended strand (participates in β ladder)trans-118.8149.5-174-60.9176.8000111.5I18 I19 I178I18-L44 WeakPolarHBondContact O-CA 3.46Å; I19-L44 HydrophobicContact CB-CD2 4.22Å; I19-L44 HydrophobicContact CG1-CD2 3.57Å; I19-L44 HydrophobicContact CG2-CD2 4.46Å; L44-I178 HydrophobicContact CD2-CD1 4.49Å
45K98.9Very high94.7Very high4 Ų454.9 Ų54.92%0.01733%0.333CS..EExtended strand (participates in β ladder)trans-117.3144.3158.7-55.6177.1-178.6-96.80109.4I18 A49 D100 M101 K121 S126 C127I18-K45 HydrophobicContact CB-CB 3.98Å; I18-K45 HydrophobicContact CD1-CB 4.07Å; I18-K45 HydrophobicContact CG2-CB 4.25Å; I18-K45 HydrophobicContact CG2-CD 4.42Å; I18-K45 PolarHBondContact N-O 3.34Å; I18-K45 PolarHBondContact O-N 3.16Å; K45-A49 HydrophobicContact CB-CB 3.9Å; K45-A49 HydrophobicContact CD-CB 4.44Å; K45-D100 WeakPolarHBondContact CE-OD1 3.45Å; K45-D100 IonicContact NZ-OD1 2.65Å; K45-D100 PolarHBondContact NZ-OD1 2.98Å; K45-M101 PolarHBondContact NZ-O 3.35Å; K45-K121 WeakPolarHBondContact CE-O 3.25Å; K45-K121 WeakPolarHBondContact CG-O 3.4Å; K45-K121 PolarHBondContact NZ-O 2.82Å; K45-S126 PolarHBondContact NZ-O 3.23Å; K45-C127 HydrophobicContact CD-CB 3.9Å
46P98.8Very high95.5Very high48 Ų4852.8 Ų52.831%0.31231%0.313SS..  trans-71.6158.9173.731.6-37.2000110.7S48 A49 A122P46-S48 WeakPolarHBondContact CG-OG 3.25Å; P46-S48 PolarHBondContact O-N 3.04Å; P46-S48 VanDerWaalsContact O-N 3.14Å; P46-A49 HydrophobicContact CG-CB 4.35Å; P46-A49 WeakPolarHBondContact O-CB 3.38Å; P46-A49 PolarHBondContact O-N 3.18Å; P46-A122 WeakPolarHBondContact CD-O 3.42Å
47P98.5Very high96.5Very high56 Ų5648.5 Ų48.536%0.36429%0.291SS..G310 helixtrans-55.6-29.1172.3-28.136.6000114G15 R16 A49 Y50G15-P47 WeakPolarHBondContact O-CG 3.43Å; R16-P47 WeakPolarHBondContact O-CG 3.27Å; P47-A49 PolarHBondContact O-N 2.97Å; P47-A49 VanDerWaalsContact O-N 3.14Å; P47-Y50 VanDerWaalsContact O-CD2 3.23Å; P47-Y50 WeakPolarHBondContact O-CD2 3.38Å; P47-Y50 PolarHBondContact O-N 3.34Å; P47-Y50 VanDerWaalsContact O-N 3.16Å
48S98.3Very high97.3Very high74 Ų7449.8 Ų49.852%0.51730%0.297SS..G310 helixtrans-67-7.2174.7610000114.3P46 Y50P46-S48 WeakPolarHBondContact CG-OG 3.25Å; P46-S48 PolarHBondContact O-N 3.04Å; P46-S48 VanDerWaalsContact O-N 3.14Å; S48-Y50 VanDerWaalsContact C-N 3.33Å
49A98.8Very high97.7Very high0 Ų043.6 Ų43.60%026%0.259CS..G310 helixtrans-75.6-22172.500000112.7I18 K45 P46 P47 V51 T125 S126 C127I18-A49 HydrophobicContact CD1-CB 4.32Å; K45-A49 HydrophobicContact CB-CB 3.9Å; K45-A49 HydrophobicContact CD-CB 4.44Å; P46-A49 HydrophobicContact CG-CB 4.35Å; P46-A49 WeakPolarHBondContact O-CB 3.38Å; P46-A49 PolarHBondContact O-N 3.18Å; P47-A49 PolarHBondContact O-N 2.97Å; P47-A49 VanDerWaalsContact O-N 3.14Å; A49-V51 PolarHBondContact O-N 2.78Å; A49-T125 CarbonylContact O-C 3.48Å; A49-T125 WeakPolarHBondContact O-CA 3.41Å; A49-S126 WeakPolarHBondContact CB-OG 3.33Å; A49-S126 PolarHBondContact O-N 3.48Å; A49-C127 HydrophobicContact CB-CB 3.97Å; A49-C127 PolarHBondContact O-N 3.01Å
50Y98.8Very high97.9Very high26 Ų2639.2 Ų39.210%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-59.2133.5178.7-74.4-53.7000111.3F11 W12 I18 P47 S48 C127 V129 L185F11-Y50 HydrophobicContact CE2-CE1 4.03Å; F11-Y50 AromaticContact CE2-CZ 3.84Å; F11-Y50 WeakPolarHBondContact CE2-OH 3.4Å; W12-Y50 HydrophobicContact CB-CD1 4.12Å; W12-Y50 HydrophobicContact CB-CD2 3.78Å; W12-Y50 HydrophobicContact CB-CE1 4.43Å; W12-Y50 HydrophobicContact CB-CE2 4.13Å; W12-Y50 HydrophobicContact CB-CG 3.78Å; W12-Y50 WeakPolarHBondContact O-CD2 3.41Å; I18-Y50 HydrophobicContact CD1-CD1 3.89Å; I18-Y50 HydrophobicContact CD1-CD2 4.1Å; I18-Y50 HydrophobicContact CD1-CE1 3.56Å; I18-Y50 HydrophobicContact CD1-CE2 3.78Å; I18-Y50 HydrophobicContact CD1-CG 4.15Å; I18-Y50 HydrophobicContact CG1-CE1 3.95Å; I18-Y50 HydrophobicContact CG1-CE2 3.93Å; I18-Y50 VanDerWaalsContact CG1-CZ 3.5Å; I18-Y50 WeakPolarHBondContact CG1-OH 3.38Å; P47-Y50 VanDerWaalsContact O-CD2 3.23Å; P47-Y50 WeakPolarHBondContact O-CD2 3.38Å; P47-Y50 PolarHBondContact O-N 3.34Å; P47-Y50 VanDerWaalsContact O-N 3.16Å; S48-Y50 VanDerWaalsContact C-N 3.33Å; Y50-C127 WeakPolarHBondContact CA-O 3.16Å; Y50-C127 HydrophobicContact CD1-CB 4.35Å; Y50-V129 HydrophobicContact CD1-CB 4.2Å; Y50-V129 HydrophobicContact CD1-CG1 3.63Å; Y50-V129 HydrophobicContact CE1-CG1 4.28Å; Y50-V129 HydrophobicContact CG-CG1 4.41Å; Y50-L185 HydrophobicContact CE1-CD2 3.59Å; Y50-L185 WeakPolarHBondContact OH-CB 3.44Å; Y50-L185 WeakPolarHBondContact OH-CD2 3.28Å
51V98.6Very high97.9Very high9 Ų943.6 Ų43.66%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-137.8140.216865.30000109.4A49 S55 T125 C127 P128 V129 F215A49-V51 PolarHBondContact O-N 2.78Å; V51-S55 VanDerWaalsContact CG2-CB 3.45Å; V51-T125 HydrophobicContact CB-CG2 4.11Å; V51-T125 HydrophobicContact CG2-CG2 4.12Å; V51-C127 PolarHBondContact N-O 3.49Å; V51-P128 VanDerWaalsContact CG1-CA 3.5Å; V51-P128 HydrophobicContact CG1-CB 3.92Å; V51-P128 HydrophobicContact CG1-CG 3.67Å; V51-P128 WeakPolarHBondContact O-CA 3.15Å; V51-V129 PolarHBondContact O-N 2.89Å; V51-F215 HydrophobicContact CG1-CD1 4.47Å; V51-F215 HydrophobicContact CG1-CE1 3.95Å; V51-F215 HydrophobicContact CG2-CE1 4.34Å
52R98.4Very high98Very high44 Ų4446.3 Ų46.317%0.16627%0.268CS..  trans-104.7155.1-176.2-61.9-60.9-60.9178.16.5110.3G54 S55 V129 S130 D131 F215R52-G54 PolarHBondContact O-N 2.66Å; R52-S55 WeakPolarHBondContact O-CB 3.34Å; R52-S55 PolarHBondContact O-N 3.05Å; R52-V129 PolarHBondContact NH1-O 3.49Å; R52-S130 PolarHBondContact NH1-O 3.38Å; R52-S130 VanDerWaalsContact NH2-C 3.28Å; R52-S130 PolarHBondContact NH2-O 3.14Å; R52-D131 IonicContact CZ-OD1 3.17Å; R52-D131 VanDerWaalsContact NH2-CA 3.25Å; R52-D131 IonicContact NH2-OD1 3.06Å; R52-D131 PolarHBondContact NH2-OD1 3.36Å; R52-F215 WeakPolarHBondContact O-CE1 3.3Å
53E97.3Very high97.9Very high98 Ų9843.9 Ų43.946%0.45826%0.255SS..THydrogen-bonded Turntrans-51139.2170.3178.9160.1-15300110.5N214 F215E53-N214 WeakPolarHBondContact CG-O 3.24Å; E53-N214 WeakPolarHBondContact OE1-CB 3.29Å; E53-N214 PolarHBondContact OE1-N 2.64Å; E53-N214 PolarHBondContact OE1-ND2 3.43Å; E53-F215 HydrophobicContact CB-CZ 4.43Å
54G96.9Very high97.8Very high80 Ų8047.5 Ų47.583%0.82528%0.284SS*.THydrogen-bonded Turntrans90.1-10.9-168.800000114.6R52R52-G54 PolarHBondContact O-N 2.66Å
55S97.8Very high97.7Very high62 Ų6245.5 Ų45.543%0.43427%0.273SS..SBendtrans-113.2143.8166.6-62.70000110.4V51 R52 F215V51-S55 VanDerWaalsContact CG2-CB 3.45Å; R52-S55 WeakPolarHBondContact O-CB 3.34Å; R52-S55 PolarHBondContact O-N 3.05Å; S55-F215 WeakPolarHBondContact O-CD1 3.46Å
56P98Very high97.7Very high34 Ų3445.3 Ų45.322%0.22127%0.273CS..PPolyproline II helixtrans-78156.6-174.332.6-37.2000112.8L58 K216 E218P56-L58 HydrophobicContact CB-CD2 4.45Å; P56-L58 HydrophobicContact CG-CD2 3.98Å; P56-K216 CarbonylContact C-O 3.5Å; P56-K216 WeakPolarHBondContact CA-O 3.37Å; P56-E218 HydrophobicContact CB-CB 3.94Å; P56-E218 VanDerWaalsContact CB-CD 3.41Å; P56-E218 HydrophobicContact CB-CG 3.67Å; P56-E218 HydrophobicContact CG-CB 4.42Å; P56-E218 HydrophobicContact CG-CG 4.35Å; P56-E218 WeakPolarHBondContact CG-OE2 3.23Å
57I98.6Very high97.7Very high0 Ų044.1 Ų44.10%026%0.263CS..EExtended strand (participates in β ladder)trans-78.3123.6161-64.6170.6000107.3L66 L99 M101 P128 L203 F215 K216 V217 E218I57-L66 HydrophobicContact CG2-CD2 4.02Å; I57-L99 HydrophobicContact CD1-CD1 4.11Å; I57-M101 HydrophobicContact CD1-CE 4.36Å; I57-M101 HydrophobicContact CD1-SD 4.08Å; I57-M101 HydrophobicContact CG2-CE 3.99Å; I57-M101 HydrophobicContact CG2-CG 4.16Å; I57-P128 HydrophobicContact CD1-CB 4.45Å; I57-P128 HydrophobicContact CD1-CG 3.7Å; I57-P128 HydrophobicContact CG1-CG 3.6Å; I57-L203 HydrophobicContact CD1-CD2 3.98Å; I57-F215 HydrophobicContact CD1-CB 3.57Å; I57-F215 HydrophobicContact CD1-CD1 4.46Å; I57-F215 HydrophobicContact CD1-CG 4.08Å; I57-F215 HydrophobicContact CG1-CB 3.89Å; I57-F215 HydrophobicContact CG1-CD1 4.05Å; I57-F215 HydrophobicContact CG1-CG 4.18Å; I57-K216 PolarHBondContact N-O 3.16Å; I57-V217 HydrophobicContact CB-CG2 4.48Å; I57-V217 WeakPolarHBondContact O-CA 3.41Å; I57-E218 PolarHBondContact O-N 2.86Å
58L98Very high97.7Very high50 Ų5041.5 Ų41.526%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-97.2123.4179.6-60.9178.1000110.9P56 P60 T125 E218P56-L58 HydrophobicContact CB-CD2 4.45Å; P56-L58 HydrophobicContact CG-CD2 3.98Å; L58-P60 WeakPolarHBondContact O-CD 3.44Å; L58-T125 HydrophobicContact CB-CG2 4.44Å; L58-T125 HydrophobicContact CD1-CG2 4.12Å; L58-T125 HydrophobicContact CG-CG2 4.08Å; L58-T125 PolarHBondContact N-OG1 3.43Å; L58-E218 WeakPolarHBondContact CA-O 3.32Å; L58-E218 HydrophobicContact CD2-CB 4.06Å
59V97.6Very high97.7Very high2 Ų238.3 Ų38.31%0.01222%0.223CC..PPolyproline II helixtrans-69.2122.9169.5-173.20000108.7L61 L66 V217 E218 R219 P220V59-L61 PolarHBondContact O-N 2.86Å; V59-L66 HydrophobicContact CB-CD2 4.35Å; V59-L66 HydrophobicContact CG1-CB 4.27Å; V59-L66 HydrophobicContact CG2-CD2 3.85Å; V59-V217 HydrophobicContact CG2-CG1 3.43Å; V59-V217 VanDerWaalsContact CG2-CG1 3.43Å; V59-E218 PolarHBondContact N-O 2.84Å; V59-R219 HydrophobicContact CB-CG 4.09Å; V59-R219 HydrophobicContact CG2-CG 4.33Å; V59-P220 VanDerWaalsContact O-CD 3.29Å; V59-P220 WeakPolarHBondContact O-CD 3.34Å
60P96.5Very high97.7Very high13 Ų1338.3 Ų38.38%0.08422%0.223CC..PPolyproline II helixtrans-60.8135.2175.5-22.133.6000111L58 Y62 S63 F123L58-P60 WeakPolarHBondContact O-CD 3.44Å; P60-Y62 HydrophobicContact CB-CD1 4.1Å; P60-Y62 HydrophobicContact CB-CD2 4.07Å; P60-Y62 HydrophobicContact CB-CE1 3.69Å; P60-Y62 HydrophobicContact CB-CE2 3.65Å; P60-Y62 HydrophobicContact CB-CG 4.29Å; P60-Y62 VanDerWaalsContact CB-CZ 3.45Å; P60-Y62 HydrophobicContact CG-CE2 4.35Å; P60-Y62 PolarHBondContact O-N 3.44Å; P60-Y62 VanDerWaalsContact O-N 3.09Å; P60-S63 PolarHBondContact O-N 3.38Å; P60-F123 HydrophobicContact CG-CB 4.38Å; P60-F123 HydrophobicContact CG-CD1 4.03Å; P60-F123 HydrophobicContact CG-CD2 3.41Å; P60-F123 VanDerWaalsContact CG-CD2 3.41Å; P60-F123 HydrophobicContact CG-CE1 4.18Å; P60-F123 HydrophobicContact CG-CE2 3.59Å; P60-F123 HydrophobicContact CG-CG 3.68Å; P60-F123 HydrophobicContact CG-CZ 3.99Å
61L95.6Very high97.7Very high98 Ų9837.1 Ų37.151%0.51322%0.218SC..THydrogen-bonded Turntrans-57.9-27.8-178.5-65.4169.9000113.7V59 S63 P220 H222V59-L61 PolarHBondContact O-N 2.86Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-P220 HydrophobicContact CD2-CG 3.93Å; L61-P220 HydrophobicContact CG-CG 3.98Å; L61-H222 WeakPolarHBondContact CD1-OXT 3.39Å
62Y96.3Very high97.8Very high103 Ų10336.7 Ų36.740%0.40422%0.216SC..THydrogen-bonded Turntrans-85.10.1178.455.2-102000113.6P60 I106 L119 F123P60-Y62 HydrophobicContact CB-CD1 4.1Å; P60-Y62 HydrophobicContact CB-CD2 4.07Å; P60-Y62 HydrophobicContact CB-CE1 3.69Å; P60-Y62 HydrophobicContact CB-CE2 3.65Å; P60-Y62 HydrophobicContact CB-CG 4.29Å; P60-Y62 VanDerWaalsContact CB-CZ 3.45Å; P60-Y62 HydrophobicContact CG-CE2 4.35Å; P60-Y62 PolarHBondContact O-N 3.44Å; P60-Y62 VanDerWaalsContact O-N 3.09Å; Y62-I106 HydrophobicContact CD2-CD1 4.1Å; Y62-I106 HydrophobicContact CD2-CG1 3.86Å; Y62-I106 HydrophobicContact CE2-CG1 4.12Å; Y62-L119 HydrophobicContact CE2-CB 4.25Å; Y62-L119 WeakPolarHBondContact CE2-O 3.35Å; Y62-L119 PolarHBondContact OH-O 3.05Å; Y62-L119 VanDerWaalsContact OH-O 3.09Å; Y62-F123 WeakPolarHBondContact OH-CB 3.45Å
63S96.9Very high97.8Very high4 Ų434.6 Ų34.63%0.02821%0.208CC..  trans-118.6141179.2-176.70000112P60 L61 N65 A103 D105P60-S63 PolarHBondContact O-N 3.38Å; L61-S63 VanDerWaalsContact C-N 3.31Å; S63-N65 PolarHBondContact OG-N 3.17Å; S63-A103 WeakPolarHBondContact OG-CB 3.44Å; S63-D105 PolarHBondContact OG-OD1 3.04Å; S63-D105 PolarHBondContact OG-OD2 2.65Å
64S95.8Very high97.9Very high101 Ų10130 Ų3071%0.70619%0.186SC*.SBendtrans-108.8-7.7173.563.40000112.7D105S64-D105 PolarHBondContact N-OD2 3.23Å; S64-D105 PolarHBondContact OG-OD2 3.17Å
65N97.8Very high98Very high49 Ų4926.2 Ų26.226%0.26215%0.147SC..  trans-136.373-172-167.622.4000111.9S63 H67 R104 D105 A196S63-N65 PolarHBondContact OG-N 3.17Å; N65-H67 PolarHBondContact ND2-NE2 2.86Å; N65-H67 PolarHBondContact OD1-CD2 2.91Å; N65-H67 VanDerWaalsContact OD1-CD2 3.31Å; N65-H67 PolarHBondContact OD1-NE2 3.24Å; N65-H67 VanDerWaalsContact OD1-NE2 3.12Å; N65-R104 PolarHBondContact O-N 3.22Å; N65-D105 HydrophobicContact CB-CB 4.03Å; N65-D105 PolarHBondContact N-OD2 3.49Å; N65-A196 WeakPolarHBondContact OD1-CB 3.31Å
66L98.6Very high98Very high1 Ų123.2 Ų23.21%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-83.2122.8177-175.869.2000110.4I57 V59 M101 T102 F123 A196 V197I57-L66 HydrophobicContact CG2-CD2 4.02Å; V59-L66 HydrophobicContact CB-CD2 4.35Å; V59-L66 HydrophobicContact CG1-CB 4.27Å; V59-L66 HydrophobicContact CG2-CD2 3.85Å; L66-M101 HydrophobicContact CD1-CB 4.29Å; L66-M101 HydrophobicContact CD1-CE 4.38Å; L66-M101 HydrophobicContact CD2-CE 3.89Å; L66-M101 HydrophobicContact CG-CE 3.92Å; L66-T102 CarbonylContact C-O 3.6Å; L66-T102 WeakPolarHBondContact CA-O 3.33Å; L66-F123 HydrophobicContact CD1-CE2 4.19Å; L66-F123 HydrophobicContact CD1-CZ 3.66Å; L66-A196 CarbonylContact O-C 3.54Å; L66-A196 VanDerWaalsContact O-CA 3.23Å; L66-A196 WeakPolarHBondContact O-CA 3.46Å; L66-V197 HydrophobicContact CB-CG2 4.28Å; L66-V197 HydrophobicContact CD2-CG2 3.9Å; L66-V197 HydrophobicContact CG-CG2 4.07Å; L66-V197 PolarHBondContact O-N 2.63Å
67H98.8Very high98Very high23 Ų2322.9 Ų22.911%0.10613%0.129CC..EExtended strand (participates in β ladder)trans-104.8146.4177.6-78.4-133.9000112.2N65 M101 T102 R104 S195N65-H67 PolarHBondContact ND2-NE2 2.86Å; N65-H67 PolarHBondContact OD1-CD2 2.91Å; N65-H67 VanDerWaalsContact OD1-CD2 3.31Å; N65-H67 PolarHBondContact OD1-NE2 3.24Å; N65-H67 VanDerWaalsContact OD1-NE2 3.12Å; H67-M101 WeakPolarHBondContact O-CE 3.43Å; H67-T102 PolarHBondContact N-O 3.11Å; H67-T102 PolarHBondContact O-N 2.94Å; H67-R104 VanDerWaalsContact CD2-CB 3.49Å; H67-R104 WeakPolarHBondContact CD2-CB 3.45Å; H67-S195 VanDerWaalsContact CA-O 3.29Å; H67-S195 WeakPolarHBondContact CA-O 3.36Å
68H98.8Very high98Very high0 Ų028.4 Ų28.40%015%0.153CC..  trans-86.9145.7164.365.973.5000111.2M101 L148 Q156 G193 S195 V197 L203H68-M101 HydrophobicContact CB-CE 4.34Å; H68-M101 HydrophobicContact CB-SD 4.41Å; H68-L148 HydrophobicContact CB-CD1 3.97Å; H68-L148 HydrophobicContact CB-CD2 4.43Å; H68-Q156 PolarHBondContact CE1-OE1 3Å; H68-Q156 PolarHBondContact ND1-OE1 3.46Å; H68-G193 PolarHBondContact CE1-O 3.35Å; H68-G193 VanDerWaalsContact CE1-O 3.31Å; H68-S195 PolarHBondContact CD2-O 3.19Å; H68-S195 PolarHBondContact N-O 3.22Å; H68-S195 PolarHBondContact NE2-N 2.91Å; H68-S195 PolarHBondContact NE2-OG 3.41Å; H68-V197 HydrophobicContact CB-CG1 4.34Å; H68-L203 HydrophobicContact CB-CD2 3.98Å
69E98.8Very high97.9Very high7 Ų727.5 Ų27.53%0.03316%0.155CC..  trans-143.697.6175.3-63.2-169.7-176.600108L99 D100 T102 R104 K121 T190 V194E69-L99 CarbonylContact O-C 3.33Å; E69-L99 VanDerWaalsContact O-CA 3.29Å; E69-L99 WeakPolarHBondContact O-CA 3.41Å; E69-D100 HydrophobicContact CB-CB 3.85Å; E69-D100 WeakPolarHBondContact CB-O 3.21Å; E69-D100 WeakPolarHBondContact CG-O 3.42Å; E69-D100 PolarHBondContact O-N 3.21Å; E69-T102 PolarHBondContact OE1-OG1 3.43Å; E69-R104 IonicContact OE1-CZ 3.29Å; E69-R104 VanDerWaalsContact OE1-CZ 3.29Å; E69-R104 IonicContact OE1-NH1 3.05Å; E69-R104 PolarHBondContact OE1-NH1 3.17Å; E69-R104 IonicContact OE1-NH2 3.95Å; E69-R104 PolarHBondContact OE1-NH2 3.28Å; E69-K121 VanDerWaalsContact CD-NZ 3.31Å; E69-K121 IonicContact OE1-NZ 3.29Å; E69-K121 PolarHBondContact OE1-NZ 2.85Å; E69-K121 IonicContact OE2-NZ 2.78Å; E69-K121 PolarHBondContact OE2-NZ 2.64Å; E69-T190 VanDerWaalsContact C-OG1 3.27Å; E69-T190 WeakPolarHBondContact CA-OG1 3.48Å; E69-T190 HydrophobicContact CB-CG2 3.81Å; E69-T190 HydrophobicContact CG-CG2 3.96Å; E69-V194 HydrophobicContact CG-CB 4.47Å; E69-V194 HydrophobicContact CG-CG1 3.82Å
70V98.8Very high98Very high0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans-72.1130.417867.90000111.2L97 L99 L146 L148 Q156 T190 P191 A205V70-L97 HydrophobicContact CG2-CD1 3.61Å; V70-L97 HydrophobicContact CG2-CG 4.29Å; V70-L99 HydrophobicContact CB-CD2 4.09Å; V70-L99 HydrophobicContact CG2-CD2 4.18Å; V70-L146 HydrophobicContact CG1-CB 4.39Å; V70-L146 HydrophobicContact CG2-CB 4.33Å; V70-L148 HydrophobicContact CB-CB 4.09Å; V70-L148 HydrophobicContact CB-CD1 4.04Å; V70-L148 HydrophobicContact CG1-CB 4.24Å; V70-Q156 HydrophobicContact CG1-CB 3.77Å; V70-Q156 HydrophobicContact CG1-CG 4.41Å; V70-T190 PolarHBondContact N-OG1 2.91Å; V70-T190 VanDerWaalsContact N-OG1 3.1Å; V70-T190 WeakPolarHBondContact O-CA 3.41Å; V70-T190 WeakPolarHBondContact O-CB 3.49Å; V70-T190 PolarHBondContact O-OG1 3.3Å; V70-P191 HydrophobicContact CG1-CG 4.17Å; V70-P191 VanDerWaalsContact O-CD 3.29Å; V70-P191 WeakPolarHBondContact O-CD 3.22Å; V70-A205 HydrophobicContact CG2-CB 4.36Å
71E98.9Very high98.1Very high2 Ų232 Ų321%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-139.7150.1-176.8-53.2-154.3166.500112.9C98 D100 L187 T188 G189 T190E71-C98 PolarHBondContact N-O 2.62Å; E71-C98 PolarHBondContact O-N 3.09Å; E71-D100 HydrophobicContact CG-CB 4.34Å; E71-L187 HydrophobicContact CB-CG 4.32Å; E71-L187 VanDerWaalsContact OE2-C 3.3Å; E71-L187 WeakPolarHBondContact OE2-CB 3.41Å; E71-T188 PolarHBondContact OE2-N 3.1Å; E71-G189 VanDerWaalsContact CD-N 3.3Å; E71-G189 WeakPolarHBondContact CG-O 3.35Å; E71-G189 WeakPolarHBondContact OE1-CA 3.29Å; E71-G189 WeakPolarHBondContact OE2-CA 3.32Å; E71-G189 PolarHBondContact OE2-N 3.49Å; E71-T190 PolarHBondContact OE1-N 2.78Å; E71-T190 VanDerWaalsContact OE1-N 3.15Å
72L98.9Very high98.2Very high0 Ų030.3 Ų30.30%019%0.187CC..EExtended strand (participates in β ladder)trans-77.8124163.9178.467.6000108.7Y95 P141 L146 T160 T188 I207L72-Y95 HydrophobicContact CD1-CD1 4.16Å; L72-Y95 HydrophobicContact CD1-CG 4.34Å; L72-Y95 HydrophobicContact CD2-CD1 4.36Å; L72-Y95 HydrophobicContact CG-CD1 4.45Å; L72-P141 HydrophobicContact CD2-CB 4.22Å; L72-L146 HydrophobicContact CB-CD1 4.27Å; L72-L146 HydrophobicContact CB-CD2 4.48Å; L72-T160 HydrophobicContact CB-CG2 4.2Å; L72-T160 HydrophobicContact CD2-CG2 4.02Å; L72-T188 WeakPolarHBondContact O-CB 3.38Å; L72-T188 WeakPolarHBondContact O-CG2 3.29Å; L72-T188 PolarHBondContact O-N 2.81Å; L72-T188 VanDerWaalsContact O-N 3.15Å; L72-T188 PolarHBondContact O-OG1 3.06Å; L72-I207 HydrophobicContact CD1-CD1 4.04Å
73G98.9Very high98.3Very high0 Ų025.7 Ų25.70%017%0.169CC..EExtended strand (participates in β ladder)trans-94.9134.4169.900000111.4Y95 A96 I186G73-Y95 CarbonylContact O-C 3.43Å; G73-Y95 WeakPolarHBondContact O-CA 3.43Å; G73-Y95 WeakPolarHBondContact O-CB 3.46Å; G73-A96 VanDerWaalsContact CA-O 3.28Å; G73-A96 WeakPolarHBondContact CA-O 3.43Å; G73-A96 PolarHBondContact N-O 2.63Å; G73-A96 PolarHBondContact O-N 3.08Å; G73-I186 CarbonylContact C-O 3.47Å; G73-I186 VanDerWaalsContact CA-O 3.31Å; G73-I186 WeakPolarHBondContact CA-O 3.01Å
74V98.9Very high98.4Very high1 Ų129.1 Ų29.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-108.1117.4176.2-178.60000109V92 Y95 V167 I171 L185 I186 T188V74-V92 HydrophobicContact CG1-CB 4.42Å; V74-V92 HydrophobicContact CG1-CG1 3.89Å; V74-V92 HydrophobicContact CG1-CG2 3.72Å; V74-Y95 HydrophobicContact CG2-CD1 4.24Å; V74-Y95 HydrophobicContact CG2-CE1 4.34Å; V74-V167 HydrophobicContact CG1-CG1 4.15Å; V74-V167 HydrophobicContact CG2-CG1 3.79Å; V74-V167 HydrophobicContact CG2-CG2 3.98Å; V74-I171 HydrophobicContact CG1-CD1 4.3Å; V74-L185 WeakPolarHBondContact O-CA 3.15Å; V74-I186 HydrophobicContact CB-CB 4.32Å; V74-I186 PolarHBondContact N-O 2.9Å; V74-I186 PolarHBondContact O-N 3.09Å; V74-T188 HydrophobicContact CG2-CG2 3.79Å
75V98.9Very high98.5Very high0 Ų028.8 Ų28.80%018%0.179CC..EExtended strand (participates in β ladder)trans-92.6122.5-178.6-176.20000109.4I8 F11 A93 G94 F132 L185I8-V75 HydrophobicContact CD1-CG1 3.87Å; I8-V75 HydrophobicContact CG1-CG1 4.13Å; F11-V75 HydrophobicContact CB-CG1 4.02Å; F11-V75 HydrophobicContact CD1-CG1 4.11Å; F11-V75 HydrophobicContact CD1-CG2 3.92Å; F11-V75 HydrophobicContact CD2-CG1 4.21Å; F11-V75 HydrophobicContact CD2-CG2 4.26Å; F11-V75 HydrophobicContact CE1-CG2 3.67Å; F11-V75 HydrophobicContact CE2-CG2 4.04Å; F11-V75 HydrophobicContact CG-CG1 3.85Å; F11-V75 HydrophobicContact CG-CG2 4.2Å; F11-V75 HydrophobicContact CZ-CG2 3.73Å; V75-A93 HydrophobicContact CG1-CB 4.49Å; V75-A93 PolarHBondContact O-N 3.46Å; V75-G94 PolarHBondContact N-O 3.03Å; V75-F132 HydrophobicContact CB-CD2 4.39Å; V75-F132 HydrophobicContact CB-CE2 4.11Å; V75-F132 HydrophobicContact CG1-CD2 4.47Å; V75-F132 HydrophobicContact CG1-CE2 4.24Å; V75-F132 HydrophobicContact CG2-CD2 4.13Å; V75-F132 HydrophobicContact CG2-CE2 4.32Å; V75-L185 HydrophobicContact CG2-CD1 3.9Å
76I98.8Very high98.6Very high0 Ų032 Ų320%021%0.205CC..EExtended strand (participates in β ladder)trans-78.5123.1-179.6-56.6-55.1000109.9K78 H91 I171 L180 E181 G183 D184 I186I76-K78 VanDerWaalsContact CG2-O 3.22Å; I76-K78 WeakPolarHBondContact CG2-O 3.29Å; I76-H91 CarbonylContact C-O 3.56Å; I76-H91 WeakPolarHBondContact CA-O 3.34Å; I76-I171 HydrophobicContact CD1-CG1 4.49Å; I76-L180 HydrophobicContact CD1-CD1 3.98Å; I76-L180 HydrophobicContact CG1-CB 4.43Å; I76-L180 HydrophobicContact CG1-CD1 4.25Å; I76-L180 HydrophobicContact CG2-CB 4.23Å; I76-E181 WeakPolarHBondContact CB-O 3.41Å; I76-E181 VanDerWaalsContact CG2-O 3.32Å; I76-E181 WeakPolarHBondContact CG2-O 3.33Å; I76-G183 PolarHBondContact O-N 3.18Å; I76-D184 HydrophobicContact CB-CB 4.35Å; I76-D184 HydrophobicContact CG1-CB 4.21Å; I76-D184 PolarHBondContact N-O 2.94Å; I76-I186 HydrophobicContact CD1-CD1 3.98Å
77G98.2Very high98.6Very high27 Ų2732.9 Ų32.928%0.27821%0.213SC..SBendtrans-100.4-17.4177.300000114.5H91 A93 E182G77-H91 PolarHBondContact N-O 3.03Å; G77-A93 VanDerWaalsContact CA-CB 3.5Å; G77-E182 WeakPolarHBondContact O-CG 3.35Å
78K97.8Very high98.6Very high116 Ų11631.8 Ų31.850%0.50421%0.208SC..SBendtrans-140121.8174.6-179.4-173.8173.6-169.10107.8I76 H91I76-K78 VanDerWaalsContact CG2-O 3.22Å; I76-K78 WeakPolarHBondContact CG2-O 3.29Å; K78-H91 PolarHBondContact N-O 2.9Å; K78-H91 WeakPolarHBondContact O-CB 3.49Å; K78-H91 PolarHBondContact O-ND1 2.94Å
79G97.1Very high98.5Very high30 Ų3034.1 Ų34.131%0.30922%0.219SC..  trans-65170.3176.600000113.1H91 L180G79-H91 PolarHBondContact O-CE1 3.3Å; G79-H91 PolarHBondContact O-ND1 2.97Å; G79-H91 VanDerWaalsContact O-ND1 3.15Å; G79-L180 CarbonylContact C-O 3.41Å; G79-L180 WeakPolarHBondContact CA-O 3.4Å
80G98.2Very high98.5Very high21 Ų2140.2 Ų40.222%0.21625%0.248CC..BIsolated β-bridgetrans172.6163.4176.400000113.3L180G80-L180 PolarHBondContact N-O 2.91Å; G80-L180 PolarHBondContact O-N 2.65Å
81T98.6Very high98.5Very high90 Ų9041 Ų4155%0.55225%0.251SS*.SBendtrans-129.1140.7176.7-52.10000107.3I83 S179T81-I83 PolarHBondContact O-N 2.79Å; T81-S179 WeakPolarHBondContact OG1-CB 3.29Å; T81-S179 PolarHBondContact OG1-OG 3.31Å
82A98.4Very high98.5Very high62 Ų6241.5 Ų41.551%0.51225%0.254SS..SBendtrans47.847.4-177.500000112.4P84 S175A82-P84 WeakPolarHBondContact O-CD 3.41Å; A82-S175 PolarHBondContact N-O 2.75Å
83I98.8Very high98.5Very high5 Ų542.7 Ų42.73%0.02626%0.264CS..  trans-68.2122.6-179.8-60.4164.2000107.9T81 A87 H91 I171 S172 S175 L180T81-I83 PolarHBondContact O-N 2.79Å; I83-A87 HydrophobicContact CG2-CB 4.35Å; I83-H91 HydrophobicContact CD1-CB 4.39Å; I83-H91 WeakPolarHBondContact CD1-ND1 3.36Å; I83-I171 HydrophobicContact CD1-CG2 4.13Å; I83-S172 VanDerWaalsContact O-CA 3.3Å; I83-S172 WeakPolarHBondContact O-CA 3.37Å; I83-S172 WeakPolarHBondContact O-CB 3.37Å; I83-S172 PolarHBondContact O-OG 3.08Å; I83-S175 WeakPolarHBondContact CB-OG 3.41Å; I83-S175 PolarHBondContact N-OG 2.58Å; I83-L180 HydrophobicContact CD1-CD1 4.19Å
84P98.7Very high98.5Very high76 Ų7642.7 Ų42.749%0.49426%0.264SS..  trans-61.3140.6174.2-22.133.3000111.3A82 S86 A87 A88A82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-S86 PolarHBondContact O-N 2.79Å; P84-A87 PolarHBondContact O-N 3.4Å; P84-A88 PolarHBondContact O-N 2.67Å; P84-A88 VanDerWaalsContact O-N 3.13Å
85Q98.6Very high98.5Very high94 Ų9442.7 Ų42.744%0.43926%0.264SS..THydrogen-bonded Turntrans-51.7-34.5177.9-177.2176-22.100113.6A87 A88 P168 S172Q85-A87 VanDerWaalsContact C-N 3.28Å; Q85-A87 PolarHBondContact O-N 3.34Å; Q85-A88 WeakPolarHBondContact O-CB 3.28Å; Q85-A88 PolarHBondContact O-N 3.32Å; Q85-P168 HydrophobicContact CG-CB 3.82Å; Q85-S172 PolarHBondContact N-OG 2.86Å
86S98.6Very high98.5Very high117 Ų11742.7 Ų42.782%0.81826%0.264SS*.THydrogen-bonded Turntrans-66.4-25.8176.952.70000114.1P84P84-S86 PolarHBondContact O-N 2.79Å
87A98.5Very high98.5Very high20 Ų2042.7 Ų42.717%0.16526%0.264CS..THydrogen-bonded Turntrans-97.7-11178.300000112.7I83 P84 Q85 M89 E90 H91I83-A87 HydrophobicContact CG2-CB 4.35Å; P84-A87 PolarHBondContact O-N 3.4Å; Q85-A87 VanDerWaalsContact C-N 3.28Å; Q85-A87 PolarHBondContact O-N 3.34Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 2.89Å; A87-M89 VanDerWaalsContact O-N 3.11Å; A87-E90 VanDerWaalsContact O-CB 3.28Å; A87-E90 WeakPolarHBondContact O-CB 3.49Å; A87-E90 PolarHBondContact O-N 3.17Å; A87-H91 PolarHBondContact O-CD2 3.27Å
88A98.7Very high98.5Very high0 Ų041.4 Ų41.40%025%0.251CS..G310 helixtrans-51.1-42.1-171.800000114.2P84 Q85 E90 H91 P168 I171P84-A88 PolarHBondContact O-N 2.67Å; P84-A88 VanDerWaalsContact O-N 3.13Å; Q85-A88 WeakPolarHBondContact O-CB 3.28Å; Q85-A88 PolarHBondContact O-N 3.32Å; A88-E90 PolarHBondContact O-N 3.07Å; A88-H91 WeakPolarHBondContact O-CB 3.5Å; A88-H91 PolarHBondContact O-N 3.12Å; A88-H91 VanDerWaalsContact O-N 3.08Å; A88-P168 HydrophobicContact CB-CB 4.03Å; A88-P168 WeakPolarHBondContact CB-O 3.37Å; A88-I171 HydrophobicContact CB-CB 3.89Å; A88-I171 HydrophobicContact CB-CD1 4.24Å; A88-I171 HydrophobicContact CB-CG2 3.82Å
89M98.6Very high98.6Very high48 Ų4836 Ų3624%0.23623%0.227CC..G310 helixtrans-69.7-19.9-178.2-65.8-51.9-5900113.5A87 H91 V92 Y95 K135 P141 V167 P168A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 2.89Å; A87-M89 VanDerWaalsContact O-N 3.11Å; M89-H91 PolarHBondContact O-N 3.29Å; M89-V92 HydrophobicContact CE-CB 4.32Å; M89-V92 HydrophobicContact CE-CG2 4Å; M89-V92 PolarHBondContact O-N 3.39Å; M89-V92 HydrophobicContact SD-CG2 4.2Å; M89-Y95 WeakPolarHBondContact CE-OH 3.06Å; M89-K135 PolarHBondContact O-NZ 2.88Å; M89-P141 HydrophobicContact CE-CG 3.92Å; M89-V167 HydrophobicContact SD-CG1 3.99Å; M89-P168 HydrophobicContact CG-CG 3.97Å; M89-P168 HydrophobicContact SD-CG 3.87Å
90E98.4Very high98.7Very high135 Ų13534.6 Ų34.663%0.63121%0.213SC*.G310 helixtrans-68.4-19.6172.9-58.2176.8-162.300112.2A87 A88A87-E90 VanDerWaalsContact O-CB 3.28Å; A87-E90 WeakPolarHBondContact O-CB 3.49Å; A87-E90 PolarHBondContact O-N 3.17Å; A88-E90 PolarHBondContact O-N 3.07Å
91H98.7Very high98.7Very high18 Ų1833.6 Ų33.68%0.08320%0.203CC..G310 helixtrans-89.1-6.3179.8-70.3-105.5000113.5I76 G77 K78 G79 I83 A87 A88 M89I76-H91 CarbonylContact C-O 3.56Å; I76-H91 WeakPolarHBondContact CA-O 3.34Å; G77-H91 PolarHBondContact N-O 3.03Å; K78-H91 PolarHBondContact N-O 2.9Å; K78-H91 WeakPolarHBondContact O-CB 3.49Å; K78-H91 PolarHBondContact O-ND1 2.94Å; G79-H91 PolarHBondContact O-CE1 3.3Å; G79-H91 PolarHBondContact O-ND1 2.97Å; G79-H91 VanDerWaalsContact O-ND1 3.15Å; I83-H91 HydrophobicContact CD1-CB 4.39Å; I83-H91 WeakPolarHBondContact CD1-ND1 3.36Å; A87-H91 PolarHBondContact O-CD2 3.27Å; A88-H91 WeakPolarHBondContact O-CB 3.5Å; A88-H91 PolarHBondContact O-N 3.12Å; A88-H91 VanDerWaalsContact O-N 3.08Å; M89-H91 PolarHBondContact O-N 3.29Å
92V98.8Very high98.7Very high11 Ų1129.3 Ų29.37%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-88.8123.3-178.1179.20000110.6V74 M89 Y95 K135 I171V74-V92 HydrophobicContact CG1-CB 4.42Å; V74-V92 HydrophobicContact CG1-CG1 3.89Å; V74-V92 HydrophobicContact CG1-CG2 3.72Å; M89-V92 HydrophobicContact CE-CB 4.32Å; M89-V92 HydrophobicContact CE-CG2 4Å; M89-V92 PolarHBondContact O-N 3.39Å; M89-V92 HydrophobicContact SD-CG2 4.2Å; V92-Y95 HydrophobicContact CG1-CE1 4.11Å; V92-K135 HydrophobicContact CB-CD 4.44Å; V92-K135 HydrophobicContact CG1-CD 4.43Å; V92-I171 HydrophobicContact CG2-CD1 3.49Å; V92-I171 VanDerWaalsContact CG2-CD1 3.49Å
93A98.6Very high98.7Very high26 Ų2626.3 Ų26.322%0.21515%0.152CC..EExtended strand (participates in β ladder)trans-80-37.1169.500000112.2I8 V75 G77 F132 K135I8-A93 HydrophobicContact CD1-CB 4.31Å; I8-A93 HydrophobicContact CG1-CB 3.7Å; V75-A93 HydrophobicContact CG1-CB 4.49Å; V75-A93 PolarHBondContact O-N 3.46Å; G77-A93 VanDerWaalsContact CA-CB 3.5Å; A93-F132 HydrophobicContact CB-CE2 4.24Å; A93-F132 HydrophobicContact CB-CZ 4.22Å; A93-K135 WeakPolarHBondContact O-CB 3.45Å; A93-K135 PolarHBondContact O-N 3.06Å
94G98.8Very high98.7Very high0 Ų026.7 Ų26.70%015%0.153CC..EExtended strand (participates in β ladder)trans168.3-153.6-174.200000111.1V75 I133V75-G94 PolarHBondContact N-O 3.03Å; G94-I133 CarbonylContact C-O 3.57Å; G94-I133 WeakPolarHBondContact CA-O 3.34Å
95Y98.9Very high98.7Very high1 Ų125.1 Ų25.10%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-137.9168-168.9-49.9-80.7000111.6L72 G73 V74 M89 V92 I133 K135 I138 P141L72-Y95 HydrophobicContact CD1-CD1 4.16Å; L72-Y95 HydrophobicContact CD1-CG 4.34Å; L72-Y95 HydrophobicContact CD2-CD1 4.36Å; L72-Y95 HydrophobicContact CG-CD1 4.45Å; G73-Y95 CarbonylContact O-C 3.43Å; G73-Y95 WeakPolarHBondContact O-CA 3.43Å; G73-Y95 WeakPolarHBondContact O-CB 3.46Å; V74-Y95 HydrophobicContact CG2-CD1 4.24Å; V74-Y95 HydrophobicContact CG2-CE1 4.34Å; M89-Y95 WeakPolarHBondContact CE-OH 3.06Å; V92-Y95 HydrophobicContact CG1-CE1 4.11Å; Y95-I133 PolarHBondContact N-O 3.02Å; Y95-I133 WeakPolarHBondContact O-CB 3.44Å; Y95-I133 PolarHBondContact O-N 3.23Å; Y95-K135 HydrophobicContact CE2-CB 4.4Å; Y95-K135 HydrophobicContact CE2-CG 4.23Å; Y95-I138 HydrophobicContact CD2-CB 3.72Å; Y95-I138 HydrophobicContact CD2-CD1 3.82Å; Y95-I138 HydrophobicContact CD2-CG1 4.11Å; Y95-I138 HydrophobicContact CD2-CG2 4.32Å; Y95-I138 HydrophobicContact CE2-CB 3.64Å; Y95-I138 HydrophobicContact CE2-CG2 4.07Å; Y95-I138 HydrophobicContact CG-CD1 4.05Å; Y95-P141 HydrophobicContact CE1-CB 3.71Å; Y95-P141 HydrophobicContact CE1-CG 4.38Å; Y95-P141 WeakPolarHBondContact OH-CG 2.89Å
96A98.9Very high98.7Very high0 Ų021.7 Ų21.70%013%0.125CC..EExtended strand (participates in β ladder)trans-148.7149.9164.500000108.3F11 G73 V129F11-A96 HydrophobicContact CE1-CB 4.15Å; F11-A96 HydrophobicContact CZ-CB 3.95Å; G73-A96 VanDerWaalsContact CA-O 3.28Å; G73-A96 WeakPolarHBondContact CA-O 3.43Å; G73-A96 PolarHBondContact N-O 2.63Å; G73-A96 PolarHBondContact O-N 3.08Å; A96-V129 HydrophobicContact CB-CG2 3.78Å
97L98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.089CC..EExtended strand (participates in β ladder)trans-79.1133.4164.9-174.971.6000108.4V70 V129 S130 L146 A205 G206 I207 V211 M213V70-L97 HydrophobicContact CG2-CD1 3.61Å; V70-L97 HydrophobicContact CG2-CG 4.29Å; L97-V129 WeakPolarHBondContact O-CA 3.12Å; L97-S130 PolarHBondContact N-OG 3.07Å; L97-S130 PolarHBondContact O-N 2.99Å; L97-L146 HydrophobicContact CD1-CD2 3.94Å; L97-A205 VanDerWaalsContact CD2-C 3.45Å; L97-A205 HydrophobicContact CD2-CB 3.78Å; L97-G206 VanDerWaalsContact CD2-N 3.28Å; L97-I207 HydrophobicContact CB-CD1 4.32Å; L97-I207 HydrophobicContact CB-CG1 4.23Å; L97-I207 HydrophobicContact CD1-CD1 4.38Å; L97-I207 HydrophobicContact CD1-CG1 3.83Å; L97-I207 HydrophobicContact CG-CG1 4.46Å; L97-V211 HydrophobicContact CB-CG1 4.01Å; L97-M213 HydrophobicContact CB-CE 4.45Å; L97-M213 HydrophobicContact CB-SD 4.42Å; L97-M213 HydrophobicContact CD2-CE 3.91Å; L97-M213 HydrophobicContact CD2-CG 4.29Å; L97-M213 HydrophobicContact CD2-SD 4.26Å; L97-M213 HydrophobicContact CG-CE 3.9Å; L97-M213 HydrophobicContact CG-SD 4.42Å
98C98.9Very high98.6Very high0 Ų019.7 Ų19.70%010%0.102CC..EExtended strand (participates in β ladder)trans-129.2156.5-178.9-56.90000110.9E71 P128 L187E71-C98 PolarHBondContact N-O 2.62Å; E71-C98 PolarHBondContact O-N 3.09Å; C98-P128 CarbonylContact C-O 3.55Å; C98-P128 VanDerWaalsContact CA-O 3.22Å; C98-P128 WeakPolarHBondContact CA-O 3.42Å; C98-L187 HydrophobicContact CB-CD1 3.81Å; C98-L187 HydrophobicContact CB-CD2 4.17Å; C98-L187 HydrophobicContact CB-CG 4.02Å
99L98.9Very high98.6Very high1 Ų124 Ų241%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-110.6126.7163.1-49.7-178.6000109.7I57 E69 V70 M101 P128 L148 L203 A205 M213I57-L99 HydrophobicContact CD1-CD1 4.11Å; E69-L99 CarbonylContact O-C 3.33Å; E69-L99 VanDerWaalsContact O-CA 3.29Å; E69-L99 WeakPolarHBondContact O-CA 3.41Å; V70-L99 HydrophobicContact CB-CD2 4.09Å; V70-L99 HydrophobicContact CG2-CD2 4.18Å; L99-M101 HydrophobicContact CB-CG 4.25Å; L99-M101 HydrophobicContact CB-SD 3.66Å; L99-M101 HydrophobicContact CD1-SD 3.99Å; L99-M101 HydrophobicContact CG-SD 4.48Å; L99-M101 PolarHBondContact O-N 3.07Å; L99-P128 HydrophobicContact CB-CB 4.04Å; L99-P128 HydrophobicContact CB-CG 3.99Å; L99-P128 HydrophobicContact CD1-CB 4.05Å; L99-P128 HydrophobicContact CD1-CG 4.17Å; L99-P128 HydrophobicContact CG-CB 4.03Å; L99-P128 HydrophobicContact CG-CG 4.36Å; L99-P128 PolarHBondContact N-O 3.12Å; L99-P128 VanDerWaalsContact O-CD 3.32Å; L99-P128 WeakPolarHBondContact O-CD 2.98Å; L99-L148 HydrophobicContact CD1-CD1 4.33Å; L99-L148 HydrophobicContact CD2-CD1 3.48Å; L99-L148 VanDerWaalsContact CD2-CD1 3.48Å; L99-L203 HydrophobicContact CD1-CD2 3.78Å; L99-A205 HydrophobicContact CD2-CB 4.1Å; L99-M213 HydrophobicContact CD1-CE 4.26Å; L99-M213 HydrophobicContact CD2-CE 3.72Å; L99-M213 HydrophobicContact CG-CE 3.57Å
100D98.9Very high98.6Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..  trans-86.977.7168.1-176.73000110.2F43 K45 E69 E71 T102 K121 L187F43-D100 WeakPolarHBondContact CZ-OD2 3.45Å; K45-D100 WeakPolarHBondContact CE-OD1 3.45Å; K45-D100 IonicContact NZ-OD1 2.65Å; K45-D100 PolarHBondContact NZ-OD1 2.98Å; E69-D100 HydrophobicContact CB-CB 3.85Å; E69-D100 WeakPolarHBondContact CB-O 3.21Å; E69-D100 WeakPolarHBondContact CG-O 3.42Å; E69-D100 PolarHBondContact O-N 3.21Å; E71-D100 HydrophobicContact CG-CB 4.34Å; D100-T102 PolarHBondContact O-N 2.82Å; D100-T102 PolarHBondContact O-OG1 3.22Å; D100-K121 WeakPolarHBondContact OD1-CD 3.5Å; D100-K121 IonicContact OD1-NZ 3.35Å; D100-K121 PolarHBondContact OD1-NZ 2.74Å; D100-K121 IonicContact OD2-NZ 2.67Å; D100-K121 PolarHBondContact OD2-NZ 3.16Å; D100-L187 HydrophobicContact CB-CD2 3.93Å
101M98.9Very high98.5Very high0 Ų019.4 Ų19.40%010%0.1CC..  trans-63.8130.4-179.6-56-54-56.900110.2K45 I57 L66 H67 H68 L99 F123 S126 P128 V197K45-M101 PolarHBondContact NZ-O 3.35Å; I57-M101 HydrophobicContact CD1-CE 4.36Å; I57-M101 HydrophobicContact CD1-SD 4.08Å; I57-M101 HydrophobicContact CG2-CE 3.99Å; I57-M101 HydrophobicContact CG2-CG 4.16Å; L66-M101 HydrophobicContact CD1-CB 4.29Å; L66-M101 HydrophobicContact CD1-CE 4.38Å; L66-M101 HydrophobicContact CD2-CE 3.89Å; L66-M101 HydrophobicContact CG-CE 3.92Å; H67-M101 WeakPolarHBondContact O-CE 3.43Å; H68-M101 HydrophobicContact CB-CE 4.34Å; H68-M101 HydrophobicContact CB-SD 4.41Å; L99-M101 HydrophobicContact CB-CG 4.25Å; L99-M101 HydrophobicContact CB-SD 3.66Å; L99-M101 HydrophobicContact CD1-SD 3.99Å; L99-M101 HydrophobicContact CG-SD 4.48Å; L99-M101 PolarHBondContact O-N 3.07Å; M101-F123 HydrophobicContact CB-CE2 4.41Å; M101-F123 HydrophobicContact CB-CZ 3.99Å; M101-F123 WeakPolarHBondContact O-CZ 3.18Å; M101-S126 PolarHBondContact N-O 2.95Å; M101-S126 VanDerWaalsContact N-O 3.08Å; M101-P128 HydrophobicContact CG-CG 3.8Å; M101-P128 HydrophobicContact SD-CG 4.38Å; M101-V197 HydrophobicContact CE-CG2 4.14Å
102T98.9Very high98.4Very high0 Ų023.1 Ų23.10%013%0.127CC..EExtended strand (participates in β ladder)trans-134120.4-167.4-57.20000111.6L66 H67 E69 D100 R104 Q107 A120 K121L66-T102 CarbonylContact C-O 3.6Å; L66-T102 WeakPolarHBondContact CA-O 3.33Å; H67-T102 PolarHBondContact N-O 3.11Å; H67-T102 PolarHBondContact O-N 2.94Å; E69-T102 PolarHBondContact OE1-OG1 3.43Å; D100-T102 PolarHBondContact O-N 2.82Å; D100-T102 PolarHBondContact O-OG1 3.22Å; T102-R104 PolarHBondContact O-N 3.39Å; T102-R104 VanDerWaalsContact O-N 3.08Å; T102-Q107 HydrophobicContact CG2-CB 4.48Å; T102-A120 WeakPolarHBondContact CA-O 3.37Å; T102-K121 HydrophobicContact CG2-CD 3.93Å; T102-K121 WeakPolarHBondContact OG1-CD 3.28Å; T102-K121 WeakPolarHBondContact OG1-CE 3.31Å; T102-K121 PolarHBondContact OG1-NZ 3.31Å
103A98.6Very high98.3Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-75.793.1167.200000108.7S63 I106 Q107 A120 F123S63-A103 WeakPolarHBondContact OG-CB 3.44Å; A103-I106 HydrophobicContact CB-CB 4.1Å; A103-I106 HydrophobicContact CB-CG1 3.93Å; A103-I106 PolarHBondContact O-N 2.98Å; A103-Q107 PolarHBondContact O-N 3.19Å; A103-A120 PolarHBondContact N-O 3.24Å; A103-F123 HydrophobicContact CB-CE1 4.39Å
104R98.3Very high98.3Very high13 Ų1330.7 Ų30.75%0.04918%0.175CC..Hα-helixtrans-69.6-39.7-166.9-175.469.966.5-158.7-3.9112.6N65 H67 E69 T102 I106 Q107 D108N65-R104 PolarHBondContact O-N 3.22Å; H67-R104 VanDerWaalsContact CD2-CB 3.49Å; H67-R104 WeakPolarHBondContact CD2-CB 3.45Å; E69-R104 IonicContact OE1-CZ 3.29Å; E69-R104 VanDerWaalsContact OE1-CZ 3.29Å; E69-R104 IonicContact OE1-NH1 3.05Å; E69-R104 PolarHBondContact OE1-NH1 3.17Å; E69-R104 IonicContact OE1-NH2 3.95Å; E69-R104 PolarHBondContact OE1-NH2 3.28Å; T102-R104 PolarHBondContact O-N 3.39Å; T102-R104 VanDerWaalsContact O-N 3.08Å; R104-I106 VanDerWaalsContact C-N 3.27Å; R104-I106 PolarHBondContact O-N 3.4Å; R104-Q107 WeakPolarHBondContact O-CB 3.37Å; R104-Q107 PolarHBondContact O-N 3.16Å; R104-Q107 VanDerWaalsContact O-N 3.11Å; R104-D108 PolarHBondContact O-N 2.91Å
105D98.3Very high98.2Very high43 Ų4334.8 Ų34.823%0.2320%0.196CC..Hα-helixtrans-54.4-45.8173.349.8-6.6000111.5S63 S64 N65 D108 E109S63-D105 PolarHBondContact OG-OD1 3.04Å; S63-D105 PolarHBondContact OG-OD2 2.65Å; S64-D105 PolarHBondContact N-OD2 3.23Å; S64-D105 PolarHBondContact OG-OD2 3.17Å; N65-D105 HydrophobicContact CB-CB 4.03Å; N65-D105 PolarHBondContact N-OD2 3.49Å; D105-D108 PolarHBondContact O-N 2.75Å; D105-E109 PolarHBondContact O-N 3.15Å
106I98.5Very high98.2Very high22 Ų2239.3 Ų39.311%0.11323%0.226CC..Hα-helixtrans-67.1-39.7175.4-53.6-54.5000111.7Y62 A103 R104 D108 E109 C110 L119 A120Y62-I106 HydrophobicContact CD2-CD1 4.1Å; Y62-I106 HydrophobicContact CD2-CG1 3.86Å; Y62-I106 HydrophobicContact CE2-CG1 4.12Å; A103-I106 HydrophobicContact CB-CB 4.1Å; A103-I106 HydrophobicContact CB-CG1 3.93Å; A103-I106 PolarHBondContact O-N 2.98Å; R104-I106 VanDerWaalsContact C-N 3.27Å; R104-I106 PolarHBondContact O-N 3.4Å; I106-D108 VanDerWaalsContact C-N 3.34Å; I106-D108 PolarHBondContact O-N 2.67Å; I106-E109 PolarHBondContact O-N 3.08Å; I106-C110 WeakPolarHBondContact O-CB 3.37Å; I106-C110 PolarHBondContact O-N 2.88Å; I106-C110 PolarHBondContact O-SG 3.24Å; I106-L119 HydrophobicContact CG2-CB 3.78Å; I106-A120 HydrophobicContact CB-CB 4.25Å; I106-A120 HydrophobicContact CG2-CB 4.11Å
107Q98.4Very high98.2Very high12 Ų1242.1 Ų42.16%0.05624%0.236CC..Hα-helixtrans-61.5-42.8178.5-161-171.232.100112.1T102 A103 R104 C110 K111 W117 A120T102-Q107 HydrophobicContact CG2-CB 4.48Å; A103-Q107 PolarHBondContact O-N 3.19Å; R104-Q107 WeakPolarHBondContact O-CB 3.37Å; R104-Q107 PolarHBondContact O-N 3.16Å; R104-Q107 VanDerWaalsContact O-N 3.11Å; Q107-C110 PolarHBondContact O-N 2.84Å; Q107-K111 HydrophobicContact CG-CD 4.23Å; Q107-K111 WeakPolarHBondContact O-CB 3.43Å; Q107-K111 VanDerWaalsContact O-CG 3.31Å; Q107-K111 WeakPolarHBondContact O-CG 3.15Å; Q107-K111 PolarHBondContact O-N 3.15Å; Q107-W117 HydrophobicContact CG-CD2 4.4Å; Q107-A120 HydrophobicContact CB-CB 3.69Å; Q107-A120 HydrophobicContact CG-CB 4.1Å
108D97.4Very high98.1Very high83 Ų8346.3 Ų46.344%0.44426%0.262SS..Hα-helixtrans-66-40.4179.5-73.6-28.3000111.2R104 D105 I106 K111 S112R104-D108 PolarHBondContact O-N 2.91Å; D105-D108 PolarHBondContact O-N 2.75Å; I106-D108 VanDerWaalsContact C-N 3.34Å; I106-D108 PolarHBondContact O-N 2.67Å; D108-K111 PolarHBondContact O-N 3.29Å; D108-K111 IonicContact OD1-NZ 3.91Å; D108-S112 WeakPolarHBondContact O-CB 3.42Å; D108-S112 PolarHBondContact O-N 2.65Å
109E98Very high98.1Very high90 Ų9051.2 Ų51.242%0.42129%0.288SS..Hα-helixtrans-60.6-50.1171.8-173.8-178.9169.700111.4D105 I106 K111 S112 K113D105-E109 PolarHBondContact O-N 3.15Å; I106-E109 PolarHBondContact O-N 3.08Å; E109-K111 VanDerWaalsContact C-N 3.31Å; E109-K111 PolarHBondContact O-N 3.43Å; E109-S112 PolarHBondContact O-N 2.81Å; E109-S112 VanDerWaalsContact O-N 3.14Å; E109-S112 PolarHBondContact O-OG 3.07Å; E109-K113 HydrophobicContact CG-CD 4.04Å; E109-K113 PolarHBondContact O-N 3.21Å; E109-K113 VanDerWaalsContact O-N 3.09Å; E109-K113 IonicContact OE1-NZ 2.63Å; E109-K113 PolarHBondContact OE1-NZ 2.91Å
110C98Very high98.1Very high10 Ų1051.1 Ų51.17%0.06829%0.287CS..Hα-helixtrans-55.7-45.9177.9-72.90000111.5I106 Q107 K113 G114 L115 P116I106-C110 WeakPolarHBondContact O-CB 3.37Å; I106-C110 PolarHBondContact O-N 2.88Å; I106-C110 PolarHBondContact O-SG 3.24Å; Q107-C110 PolarHBondContact O-N 2.84Å; C110-K113 PolarHBondContact O-N 2.8Å; C110-G114 PolarHBondContact O-N 3.46Å; C110-L115 HydrophobicContact CB-CB 4.31Å; C110-L115 PolarHBondContact O-N 2.72Å; C110-P116 PolarHBondContact SG-O 2.67Å
111K96Very high98.1Very high77 Ų7751.3 Ų51.334%0.33529%0.288SS..Hα-helixtrans-62.7-43177.4-74.1166.663.4-165.20112Q107 D108 E109 K113 G114 W117Q107-K111 HydrophobicContact CG-CD 4.23Å; Q107-K111 WeakPolarHBondContact O-CB 3.43Å; Q107-K111 VanDerWaalsContact O-CG 3.31Å; Q107-K111 WeakPolarHBondContact O-CG 3.15Å; Q107-K111 PolarHBondContact O-N 3.15Å; D108-K111 PolarHBondContact O-N 3.29Å; D108-K111 IonicContact OD1-NZ 3.91Å; E109-K111 VanDerWaalsContact C-N 3.31Å; E109-K111 PolarHBondContact O-N 3.43Å; K111-K113 PolarHBondContact O-N 3.35Å; K111-G114 PolarHBondContact O-N 2.85Å; K111-W117 HydrophobicContact CD-CZ2 4.15Å; K111-W117 HydrophobicContact CG-CZ2 3.85Å
112S97.3Very high98.1Very high95 Ų9552.1 Ų52.166%0.66430%0.295SS*.Hα-helixtrans-64.4-30.3-179.676.40000113.1D108 E109D108-S112 WeakPolarHBondContact O-CB 3.42Å; D108-S112 PolarHBondContact O-N 2.65Å; E109-S112 PolarHBondContact O-N 2.81Å; E109-S112 VanDerWaalsContact O-N 3.14Å; E109-S112 PolarHBondContact O-OG 3.07Å
113K97.3Very high98.1Very high125 Ų12553 Ų5354%0.54330%0.298SS..Hα-helixtrans-101.7-1.3-177.3-64.9179.5-178177.70113.9E109 C110 K111 L115E109-K113 HydrophobicContact CG-CD 4.04Å; E109-K113 PolarHBondContact O-N 3.21Å; E109-K113 VanDerWaalsContact O-N 3.09Å; E109-K113 IonicContact OE1-NZ 2.63Å; E109-K113 PolarHBondContact OE1-NZ 2.91Å; C110-K113 PolarHBondContact O-N 2.8Å; K111-K113 PolarHBondContact O-N 3.35Å; K113-L115 VanDerWaalsContact C-N 3.28Å; K113-L115 HydrophobicContact CB-CD1 3.82Å; K113-L115 HydrophobicContact CB-CG 3.74Å; K113-L115 HydrophobicContact CD-CD1 3.96Å; K113-L115 PolarHBondContact O-N 2.96Å
114G97.1Very high98Very high71 Ų7158.2 Ų58.273%0.73233%0.326SS*.THydrogen-bonded Turntrans6430.1-174.400000113.9C110 K111C110-G114 PolarHBondContact O-N 3.46Å; K111-G114 PolarHBondContact O-N 2.85Å
115L98.1Very high98Very high86 Ų8658.4 Ų58.445%0.4533%0.329SS..  trans-90.6157-178.6-62.7173.6000112.1C110 K113C110-L115 HydrophobicContact CB-CB 4.31Å; C110-L115 PolarHBondContact O-N 2.72Å; K113-L115 VanDerWaalsContact C-N 3.28Å; K113-L115 HydrophobicContact CB-CD1 3.82Å; K113-L115 HydrophobicContact CB-CG 3.74Å; K113-L115 HydrophobicContact CD-CD1 3.96Å; K113-L115 PolarHBondContact O-N 2.96Å
116P98.3Very high98Very high96 Ų9656.4 Ų56.462%0.62332%0.318SS*.  trans-56.8147.1170.7-23.734.2000112.7C110 T118C110-P116 PolarHBondContact SG-O 2.67Å; P116-T118 PolarHBondContact O-N 3.04Å
117W98.4Very high98Very high60 Ų6055.3 Ų55.323%0.22731%0.313CS..SBendtrans-85.311.4-177.9-64.12.8000113.9V41 F43 Q107 K111 L119 A120 K121V41-W117 HydrophobicContact CG1-CH2 4.26Å; V41-W117 HydrophobicContact CG1-CZ3 4.43Å; F43-W117 HydrophobicContact CD1-CE3 4.22Å; F43-W117 HydrophobicContact CD1-CZ3 4.26Å; F43-W117 HydrophobicContact CG-CE3 4.44Å; Q107-W117 HydrophobicContact CG-CD2 4.4Å; K111-W117 HydrophobicContact CD-CZ2 4.15Å; K111-W117 HydrophobicContact CG-CZ2 3.85Å; W117-L119 PolarHBondContact O-N 2.78Å; W117-A120 CarbonylContact O-C 3.59Å; W117-A120 WeakPolarHBondContact O-CA 3.17Å; W117-A120 WeakPolarHBondContact O-CB 2.96Å; W117-A120 PolarHBondContact O-N 3.29Å; W117-K121 HydrophobicContact CB-CG 4.31Å; W117-K121 HydrophobicContact CE3-CG 4.41Å; W117-K121 PolarHBondContact O-N 2.74Å
118T98.6Very high98.1Very high88 Ų8854.8 Ų54.854%0.5431%0.31SS..Hα-helixtrans-53.8-48.1-172.7-48.60000112.5P116 A120 K121 A122P116-T118 PolarHBondContact O-N 3.04Å; T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 2.8Å; T118-K121 PolarHBondContact O-N 2.95Å; T118-A122 HydrophobicContact CG2-CB 3.99Å; T118-A122 WeakPolarHBondContact O-CA 3Å; T118-A122 VanDerWaalsContact O-CB 3.26Å; T118-A122 WeakPolarHBondContact O-CB 3.13Å; T118-A122 PolarHBondContact O-N 3.48Å
119L98.3Very high98.1Very high102 Ų10250.9 Ų50.953%0.53429%0.289SS..Hα-helixtrans-70.4-26.1178.7-63.5178000112.9Y62 I106 W117Y62-L119 HydrophobicContact CE2-CB 4.25Å; Y62-L119 WeakPolarHBondContact CE2-O 3.35Å; Y62-L119 PolarHBondContact OH-O 3.05Å; Y62-L119 VanDerWaalsContact OH-O 3.09Å; I106-L119 HydrophobicContact CG2-CB 3.78Å; W117-L119 PolarHBondContact O-N 2.78Å
120A98.7Very high98.2Very high0 Ų046.7 Ų46.70%027%0.27CS..Hα-helixtrans-81.1-29.2179.200000113.5T102 A103 I106 Q107 W117 T118 F123T102-A120 WeakPolarHBondContact CA-O 3.37Å; A103-A120 PolarHBondContact N-O 3.24Å; I106-A120 HydrophobicContact CB-CB 4.25Å; I106-A120 HydrophobicContact CG2-CB 4.11Å; Q107-A120 HydrophobicContact CB-CB 3.69Å; Q107-A120 HydrophobicContact CG-CB 4.1Å; W117-A120 CarbonylContact O-C 3.59Å; W117-A120 WeakPolarHBondContact O-CA 3.17Å; W117-A120 WeakPolarHBondContact O-CB 2.96Å; W117-A120 PolarHBondContact O-N 3.29Å; T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 2.8Å; A120-F123 WeakPolarHBondContact O-CE1 3.2Å
121K98.8Very high98.2Very high5 Ų551 Ų512%0.02229%0.293CS..Hα-helixtrans-126.8-21.6-167.2-73.1-70.5-166.5172.20114.8F43 K45 E69 D100 T102 W117 T118 S126F43-K121 HydrophobicContact CD2-CB 3.8Å; F43-K121 HydrophobicContact CD2-CD 4.31Å; F43-K121 HydrophobicContact CD2-CG 3.91Å; F43-K121 HydrophobicContact CE2-CB 3.8Å; F43-K121 HydrophobicContact CE2-CD 3.56Å; F43-K121 HydrophobicContact CE2-CG 3.69Å; F43-K121 HydrophobicContact CZ-CD 3.89Å; F43-K121 HydrophobicContact CZ-CG 4.3Å; K45-K121 WeakPolarHBondContact CE-O 3.25Å; K45-K121 WeakPolarHBondContact CG-O 3.4Å; K45-K121 PolarHBondContact NZ-O 2.82Å; E69-K121 VanDerWaalsContact CD-NZ 3.31Å; E69-K121 IonicContact OE1-NZ 3.29Å; E69-K121 PolarHBondContact OE1-NZ 2.85Å; E69-K121 IonicContact OE2-NZ 2.78Å; E69-K121 PolarHBondContact OE2-NZ 2.64Å; D100-K121 WeakPolarHBondContact OD1-CD 3.5Å; D100-K121 IonicContact OD1-NZ 3.35Å; D100-K121 PolarHBondContact OD1-NZ 2.74Å; D100-K121 IonicContact OD2-NZ 2.67Å; D100-K121 PolarHBondContact OD2-NZ 3.16Å; T102-K121 HydrophobicContact CG2-CD 3.93Å; T102-K121 WeakPolarHBondContact OG1-CD 3.28Å; T102-K121 WeakPolarHBondContact OG1-CE 3.31Å; T102-K121 PolarHBondContact OG1-NZ 3.31Å; W117-K121 HydrophobicContact CB-CG 4.31Å; W117-K121 HydrophobicContact CE3-CG 4.41Å; W117-K121 PolarHBondContact O-N 2.74Å; T118-K121 PolarHBondContact O-N 2.95Å; K121-S126 PolarHBondContact O-OG 3.11Å
122A98.6Very high98.3Very high17 Ų1749 Ų4914%0.1428%0.284CS..SBendtrans-120.126.6-163.200000114.1P46 T118P46-A122 WeakPolarHBondContact CD-O 3.42Å; T118-A122 HydrophobicContact CG2-CB 3.99Å; T118-A122 WeakPolarHBondContact O-CA 3Å; T118-A122 VanDerWaalsContact O-CB 3.26Å; T118-A122 WeakPolarHBondContact O-CB 3.13Å; T118-A122 PolarHBondContact O-N 3.48Å
123F98.4Very high98.4Very high17 Ų1744.8 Ų44.88%0.07525%0.254CS..SBendtrans-81.6170.2178.855-88.5000112.5P60 Y62 L66 M101 A103 A120 S126P60-F123 HydrophobicContact CG-CB 4.38Å; P60-F123 HydrophobicContact CG-CD1 4.03Å; P60-F123 HydrophobicContact CG-CD2 3.41Å; P60-F123 VanDerWaalsContact CG-CD2 3.41Å; P60-F123 HydrophobicContact CG-CE1 4.18Å; P60-F123 HydrophobicContact CG-CE2 3.59Å; P60-F123 HydrophobicContact CG-CG 3.68Å; P60-F123 HydrophobicContact CG-CZ 3.99Å; Y62-F123 WeakPolarHBondContact OH-CB 3.45Å; L66-F123 HydrophobicContact CD1-CE2 4.19Å; L66-F123 HydrophobicContact CD1-CZ 3.66Å; M101-F123 HydrophobicContact CB-CE2 4.41Å; M101-F123 HydrophobicContact CB-CZ 3.99Å; M101-F123 WeakPolarHBondContact O-CZ 3.18Å; A103-F123 HydrophobicContact CB-CE1 4.39Å; A120-F123 WeakPolarHBondContact O-CE1 3.2Å; F123-S126 PolarHBondContact N-OG 3.41Å; F123-S126 WeakPolarHBondContact O-CB 3.2Å; F123-S126 PolarHBondContact O-N 3.39Å; F123-S126 PolarHBondContact O-OG 3.21Å
124N97.3Very high98.5Very high110 Ų11041.6 Ų41.659%0.58825%0.246SC*.THydrogen-bonded Turntrans-57142.6176.7-67.4-14.2000110.9S126N124-S126 PolarHBondContact O-N 3.31Å; N124-S126 VanDerWaalsContact O-N 3.07Å
125T98.3Very high98.5Very high18 Ų1841.9 Ų41.911%0.1123%0.227CC..THydrogen-bonded Turntrans59.512.9-178.274.70000115.1A49 V51 L58 C127 P128A49-T125 CarbonylContact O-C 3.48Å; A49-T125 WeakPolarHBondContact O-CA 3.41Å; V51-T125 HydrophobicContact CB-CG2 4.11Å; V51-T125 HydrophobicContact CG2-CG2 4.12Å; L58-T125 HydrophobicContact CB-CG2 4.44Å; L58-T125 HydrophobicContact CD1-CG2 4.12Å; L58-T125 HydrophobicContact CG-CG2 4.08Å; L58-T125 PolarHBondContact N-OG1 3.43Å; T125-C127 PolarHBondContact O-N 2.99Å; T125-P128 WeakPolarHBondContact O-CD 3.35Å
126S98.8Very high98.5Very high0 Ų044.1 Ų44.10%024%0.24CC..  trans-75.3-3.6-179.266.10000114.6K45 A49 M101 K121 F123 N124K45-S126 PolarHBondContact NZ-O 3.23Å; A49-S126 WeakPolarHBondContact CB-OG 3.33Å; A49-S126 PolarHBondContact O-N 3.48Å; M101-S126 PolarHBondContact N-O 2.95Å; M101-S126 VanDerWaalsContact N-O 3.08Å; K121-S126 PolarHBondContact O-OG 3.11Å; F123-S126 PolarHBondContact N-OG 3.41Å; F123-S126 WeakPolarHBondContact O-CB 3.2Å; F123-S126 PolarHBondContact O-N 3.39Å; F123-S126 PolarHBondContact O-OG 3.21Å; N124-S126 PolarHBondContact O-N 3.31Å; N124-S126 VanDerWaalsContact O-N 3.07Å
127C98.9Very high98.4Very high0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-12970.5176.1-166.10000112.1I18 K45 A49 Y50 V51 T125 V129I18-C127 HydrophobicContact CD1-CB 4.06Å; K45-C127 HydrophobicContact CD-CB 3.9Å; A49-C127 HydrophobicContact CB-CB 3.97Å; A49-C127 PolarHBondContact O-N 3.01Å; Y50-C127 WeakPolarHBondContact CA-O 3.16Å; Y50-C127 HydrophobicContact CD1-CB 4.35Å; V51-C127 PolarHBondContact N-O 3.49Å; T125-C127 PolarHBondContact O-N 2.99Å; C127-V129 PolarHBondContact O-N 3.39Å
128P98.9Very high98.4Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-52.8131.2163.6-25.336.3000110.5V51 I57 C98 L99 M101 T125 F215V51-P128 VanDerWaalsContact CG1-CA 3.5Å; V51-P128 HydrophobicContact CG1-CB 3.92Å; V51-P128 HydrophobicContact CG1-CG 3.67Å; V51-P128 WeakPolarHBondContact O-CA 3.15Å; I57-P128 HydrophobicContact CD1-CB 4.45Å; I57-P128 HydrophobicContact CD1-CG 3.7Å; I57-P128 HydrophobicContact CG1-CG 3.6Å; C98-P128 CarbonylContact C-O 3.55Å; C98-P128 VanDerWaalsContact CA-O 3.22Å; C98-P128 WeakPolarHBondContact CA-O 3.42Å; L99-P128 HydrophobicContact CB-CB 4.04Å; L99-P128 HydrophobicContact CB-CG 3.99Å; L99-P128 HydrophobicContact CD1-CB 4.05Å; L99-P128 HydrophobicContact CD1-CG 4.17Å; L99-P128 HydrophobicContact CG-CB 4.03Å; L99-P128 HydrophobicContact CG-CG 4.36Å; L99-P128 PolarHBondContact N-O 3.12Å; L99-P128 VanDerWaalsContact O-CD 3.32Å; L99-P128 WeakPolarHBondContact O-CD 2.98Å; M101-P128 HydrophobicContact CG-CG 3.8Å; M101-P128 HydrophobicContact SD-CG 4.38Å; T125-P128 WeakPolarHBondContact O-CD 3.35Å; P128-F215 HydrophobicContact CB-CD1 4.15Å; P128-F215 HydrophobicContact CB-CD2 4.03Å; P128-F215 HydrophobicContact CB-CE1 3.86Å; P128-F215 HydrophobicContact CB-CE2 3.75Å; P128-F215 HydrophobicContact CB-CG 4.23Å; P128-F215 HydrophobicContact CB-CZ 3.66Å
129V98.9Very high98.2Very high1 Ų145.2 Ų45.21%0.00624%0.238CC..BIsolated β-bridgetrans-139.9134.1-171.659.30000111.4F11 W12 Y50 V51 R52 A96 L97 C127F11-V129 HydrophobicContact CE1-CG2 4.49Å; F11-V129 HydrophobicContact CZ-CG2 3.71Å; W12-V129 HydrophobicContact CB-CG1 4.46Å; Y50-V129 HydrophobicContact CD1-CB 4.2Å; Y50-V129 HydrophobicContact CD1-CG1 3.63Å; Y50-V129 HydrophobicContact CE1-CG1 4.28Å; Y50-V129 HydrophobicContact CG-CG1 4.41Å; V51-V129 PolarHBondContact O-N 2.89Å; R52-V129 PolarHBondContact NH1-O 3.49Å; A96-V129 HydrophobicContact CB-CG2 3.78Å; L97-V129 WeakPolarHBondContact O-CA 3.12Å; C127-V129 PolarHBondContact O-N 3.39Å
130S98.9Very high98.2Very high2 Ų244.6 Ų44.61%0.01424%0.235CC..PPolyproline II helixtrans-76.3170.1178.376.60000112.5R52 L97 M213R52-S130 PolarHBondContact NH1-O 3.38Å; R52-S130 VanDerWaalsContact NH2-C 3.28Å; R52-S130 PolarHBondContact NH2-O 3.14Å; L97-S130 PolarHBondContact N-OG 3.07Å; L97-S130 PolarHBondContact O-N 2.99Å; S130-M213 PolarHBondContact N-SD 3.08Å; S130-M213 VanDerWaalsContact N-SD 3.44Å
131D98.4Very high98.1Very high102 Ų10245.1 Ų45.155%0.54524%0.238SC..PPolyproline II helixtrans-47.6146.8163.1-72.5-22.2000112R52 I133R52-D131 IonicContact CZ-OD1 3.17Å; R52-D131 VanDerWaalsContact NH2-CA 3.25Å; R52-D131 IonicContact NH2-OD1 3.06Å; R52-D131 PolarHBondContact NH2-OD1 3.36Å; D131-I133 PolarHBondContact O-N 3.21Å
132F98.8Very high98Very high33 Ų3346.4 Ų46.415%0.14525%0.252CS..PPolyproline II helixtrans-62.8133.6175171.1-100.3000110.2I8 F11 W12 V75 A93 P134I8-F132 HydrophobicContact CG1-CE2 4.32Å; I8-F132 HydrophobicContact CG2-CE1 4.22Å; I8-F132 HydrophobicContact CG2-CZ 4.14Å; F11-F132 HydrophobicContact CD1-CB 4.41Å; F11-F132 HydrophobicContact CD1-CD2 4.22Å; F11-F132 HydrophobicContact CE1-CB 4.42Å; F11-F132 HydrophobicContact CE1-CD2 4.44Å; W12-F132 HydrophobicContact CZ3-CB 4.39Å; V75-F132 HydrophobicContact CB-CD2 4.39Å; V75-F132 HydrophobicContact CB-CE2 4.11Å; V75-F132 HydrophobicContact CG1-CD2 4.47Å; V75-F132 HydrophobicContact CG1-CE2 4.24Å; V75-F132 HydrophobicContact CG2-CD2 4.13Å; V75-F132 HydrophobicContact CG2-CE2 4.32Å; A93-F132 HydrophobicContact CB-CE2 4.24Å; A93-F132 HydrophobicContact CB-CZ 4.22Å; F132-P134 HydrophobicContact CD1-CG 4.31Å; F132-P134 HydrophobicContact CE1-CB 4.31Å; F132-P134 HydrophobicContact CE1-CG 3.99Å
133I98.8Very high98Very high7 Ų750.5 Ų50.54%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-108.2112.2178.8-53.1164.9000107.3G94 Y95 D131 R137 I138 I207 V210 V211G94-I133 CarbonylContact C-O 3.57Å; G94-I133 WeakPolarHBondContact CA-O 3.34Å; Y95-I133 PolarHBondContact N-O 3.02Å; Y95-I133 WeakPolarHBondContact O-CB 3.44Å; Y95-I133 PolarHBondContact O-N 3.23Å; D131-I133 PolarHBondContact O-N 3.21Å; I133-R137 HydrophobicContact CG2-CB 3.72Å; I133-I138 HydrophobicContact CD1-CD1 4.18Å; I133-I138 HydrophobicContact CG2-CD1 3.97Å; I133-I138 HydrophobicContact CG2-CG1 4.02Å; I133-I207 HydrophobicContact CD1-CD1 3.75Å; I133-V210 HydrophobicContact CD1-CG1 3.97Å; I133-V210 HydrophobicContact CG1-CG1 4.27Å; I133-V210 HydrophobicContact CG2-CG1 3.65Å; I133-V211 HydrophobicContact CD1-CB 4.14Å; I133-V211 HydrophobicContact CD1-CG1 3.62Å; I133-V211 HydrophobicContact CG1-CB 4.35Å; I133-V211 HydrophobicContact CG1-CG1 4.33Å
134P98.4Very high97.9Very high59 Ų5950.1 Ų50.138%0.38327%0.271SS..EExtended strand (participates in β ladder)trans-53.7143.2173.9-29.337.9000112.4F132 D136 R137F132-P134 HydrophobicContact CD1-CG 4.31Å; F132-P134 HydrophobicContact CE1-CB 4.31Å; F132-P134 HydrophobicContact CE1-CG 3.99Å; P134-D136 WeakPolarHBondContact CB-OD1 3.4Å; P134-D136 PolarHBondContact O-N 3.09Å; P134-D136 VanDerWaalsContact O-N 3.16Å; P134-R137 HydrophobicContact CB-CG 4.43Å; P134-R137 WeakPolarHBondContact O-CB 3.44Å; P134-R137 PolarHBondContact O-N 2.69Å
135K98Very high98Very high77 Ų7750.2 Ų50.234%0.33527%0.266SS..G310 helixtrans-54.9-35.9-175.4180178.6172.3-173.20113.9M89 V92 A93 Y95 R137 I138M89-K135 PolarHBondContact O-NZ 2.88Å; V92-K135 HydrophobicContact CB-CD 4.44Å; V92-K135 HydrophobicContact CG1-CD 4.43Å; A93-K135 WeakPolarHBondContact O-CB 3.45Å; A93-K135 PolarHBondContact O-N 3.06Å; Y95-K135 HydrophobicContact CE2-CB 4.4Å; Y95-K135 HydrophobicContact CE2-CG 4.23Å; K135-R137 VanDerWaalsContact C-N 3.25Å; K135-R137 PolarHBondContact O-N 2.9Å; K135-I138 CarbonylContact O-C 3.51Å; K135-I138 VanDerWaalsContact O-C 3.28Å; K135-I138 PolarHBondContact O-N 3.14Å; K135-I138 VanDerWaalsContact O-N 3.16Å
136D97.4Very high98Very high132 Ų13249.4 Ų49.471%0.70626%0.261SS*.G310 helixtrans-67.2-21.7179.563.3-28.2000113.9P134 I138P134-D136 WeakPolarHBondContact CB-OD1 3.4Å; P134-D136 PolarHBondContact O-N 3.09Å; P134-D136 VanDerWaalsContact O-N 3.16Å; D136-I138 VanDerWaalsContact C-N 3.27Å; D136-I138 PolarHBondContact O-N 2.77Å
137R98Very high98Very high140 Ų14051.8 Ų51.853%0.52827%0.27SS..G310 helixtrans-73.1-17.9173-69.8-78.6-61.4-1703.4113.2I133 P134 K135 D209I133-R137 HydrophobicContact CG2-CB 3.72Å; P134-R137 HydrophobicContact CB-CG 4.43Å; P134-R137 WeakPolarHBondContact O-CB 3.44Å; P134-R137 PolarHBondContact O-N 2.69Å; K135-R137 VanDerWaalsContact C-N 3.25Å; K135-R137 PolarHBondContact O-N 2.9Å; R137-D209 PolarHBondContact NH2-O 2.87Å
138I97.9Very high98Very high7 Ų751.8 Ų51.84%0.03627%0.27CS..  trans-130.584.3175-59.3-179.3000108Y95 I133 K135 D136 D140 P141 V144 I207 V210Y95-I138 HydrophobicContact CD2-CB 3.72Å; Y95-I138 HydrophobicContact CD2-CD1 3.82Å; Y95-I138 HydrophobicContact CD2-CG1 4.11Å; Y95-I138 HydrophobicContact CD2-CG2 4.32Å; Y95-I138 HydrophobicContact CE2-CB 3.64Å; Y95-I138 HydrophobicContact CE2-CG2 4.07Å; Y95-I138 HydrophobicContact CG-CD1 4.05Å; I133-I138 HydrophobicContact CD1-CD1 4.18Å; I133-I138 HydrophobicContact CG2-CD1 3.97Å; I133-I138 HydrophobicContact CG2-CG1 4.02Å; K135-I138 CarbonylContact O-C 3.51Å; K135-I138 VanDerWaalsContact O-C 3.28Å; K135-I138 PolarHBondContact O-N 3.14Å; K135-I138 VanDerWaalsContact O-N 3.16Å; D136-I138 VanDerWaalsContact C-N 3.27Å; D136-I138 PolarHBondContact O-N 2.77Å; I138-D140 VanDerWaalsContact C-N 3.3Å; I138-D140 PolarHBondContact O-N 2.9Å; I138-P141 HydrophobicContact CG2-CB 4.46Å; I138-V144 HydrophobicContact CG2-CG2 3.46Å; I138-V144 VanDerWaalsContact CG2-CG2 3.46Å; I138-I207 HydrophobicContact CD1-CD1 4.1Å; I138-V210 HydrophobicContact CD1-CG1 4.34Å; I138-V210 HydrophobicContact CG1-CG1 4.31Å
139P94.4Very high98Very high121 Ų12154.9 Ų54.979%0.78628%0.284SS*.SBendtrans-67.3-30.2-175.925.5-34.1000113.1
140D97.3Very high98Very high88 Ų8854.8 Ų54.847%0.47128%0.283SS..  trans-124.897.9176-178.88.5000110.7I138 G142 N143 V144I138-D140 VanDerWaalsContact C-N 3.3Å; I138-D140 PolarHBondContact O-N 2.9Å; D140-G142 PolarHBondContact O-N 3.14Å; D140-G142 WeakPolarHBondContact OD1-CA 3.21Å; D140-G142 PolarHBondContact OD1-N 3.14Å; D140-N143 PolarHBondContact O-N 2.91Å; D140-N143 WeakPolarHBondContact OD2-CB 3.43Å; D140-V144 WeakPolarHBondContact O-CG2 3.28Å
141P97.2Very high98Very high12 Ų1258.1 Ų58.18%0.07830%0.301CS..THydrogen-bonded Turntrans-69.2-11.4177.230.7-36.5000113.1L72 M89 Y95 I138 N143 T160 V167L72-P141 HydrophobicContact CD2-CB 4.22Å; M89-P141 HydrophobicContact CE-CG 3.92Å; Y95-P141 HydrophobicContact CE1-CB 3.71Å; Y95-P141 HydrophobicContact CE1-CG 4.38Å; Y95-P141 WeakPolarHBondContact OH-CG 2.89Å; I138-P141 HydrophobicContact CG2-CB 4.46Å; P141-N143 VanDerWaalsContact C-N 3.28Å; P141-T160 VanDerWaalsContact O-CB 3.25Å; P141-T160 WeakPolarHBondContact O-CB 3.39Å; P141-T160 PolarHBondContact O-OG1 2.82Å; P141-V167 HydrophobicContact CB-CG2 4.26Å
142G97.3Very high98Very high31 Ų3159.5 Ų59.532%0.3231%0.308SS..THydrogen-bonded Turntrans-83.52.3173.200000113.7D140 T160 S161D140-G142 PolarHBondContact O-N 3.14Å; D140-G142 WeakPolarHBondContact OD1-CA 3.21Å; D140-G142 PolarHBondContact OD1-N 3.14Å; G142-T160 CarbonylContact O-C 3.52Å; G142-S161 WeakPolarHBondContact O-CA 3.26Å; G142-S161 WeakPolarHBondContact O-CB 3.26Å; G142-S161 PolarHBondContact O-N 2.81Å
143N97.3Very high97.9Very high104 Ų10463.5 Ų63.556%0.55633%0.328SS*.SBendtrans-141.859.4177.5-17232.2000111.8D140 P141 C159 T160D140-N143 PolarHBondContact O-N 2.91Å; D140-N143 WeakPolarHBondContact OD2-CB 3.43Å; P141-N143 VanDerWaalsContact C-N 3.28Å; N143-C159 PolarHBondContact OD1-SG 2.85Å; N143-T160 PolarHBondContact N-OG1 2.81Å; N143-T160 VanDerWaalsContact N-OG1 3.17Å
144V97.9Very high97.9Very high8 Ų868.3 Ų68.35%0.04835%0.353CS..  trans-115.2127.4-177.7-1770000109.2I138 D140 L146 C159 T160 I207I138-V144 HydrophobicContact CG2-CG2 3.46Å; I138-V144 VanDerWaalsContact CG2-CG2 3.46Å; D140-V144 WeakPolarHBondContact O-CG2 3.28Å; V144-L146 HydrophobicContact CG1-CD2 3.85Å; V144-C159 CarbonylContact O-C 3.57Å; V144-C159 VanDerWaalsContact O-CA 3.29Å; V144-C159 WeakPolarHBondContact O-CA 3.48Å; V144-T160 HydrophobicContact CB-CG2 3.8Å; V144-T160 PolarHBondContact N-OG1 2.95Å; V144-T160 PolarHBondContact O-N 3.37Å; V144-I207 HydrophobicContact CG1-CB 4.46Å; V144-I207 HydrophobicContact CG1-CD1 4.11Å; V144-I207 HydrophobicContact CG1-CG1 4.35Å; V144-I207 HydrophobicContact CG1-CG2 3.39Å
145K98.3Very high97.9Very high113 Ų11369.5 Ų69.549%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-91121.4177-68.8166.5173.5174.80110.6G158 I207 E208K145-G158 WeakPolarHBondContact CA-O 3.24Å; K145-I207 WeakPolarHBondContact O-CA 3.5Å; K145-E208 HydrophobicContact CB-CB 4.36Å; K145-E208 WeakPolarHBondContact CD-OE2 2.97Å; K145-E208 WeakPolarHBondContact CE-OE2 3.44Å; K145-E208 IonicContact NZ-OE2 3.93Å; K145-E208 PolarHBondContact NZ-OE2 2.86Å; K145-E208 PolarHBondContact O-N 2.8Å
146L98.6Very high97.9Very high1 Ų165.9 Ų65.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-107.6141.7178.5-48.3179.3000109.1V70 L72 L97 V144 S157 G158 T160 I207V70-L146 HydrophobicContact CG1-CB 4.39Å; V70-L146 HydrophobicContact CG2-CB 4.33Å; L72-L146 HydrophobicContact CB-CD1 4.27Å; L72-L146 HydrophobicContact CB-CD2 4.48Å; L97-L146 HydrophobicContact CD1-CD2 3.94Å; V144-L146 HydrophobicContact CG1-CD2 3.85Å; L146-S157 WeakPolarHBondContact O-CA 3.34Å; L146-G158 PolarHBondContact N-O 2.79Å; L146-G158 PolarHBondContact O-N 3.49Å; L146-T160 HydrophobicContact CD1-CG2 4.3Å; L146-T160 HydrophobicContact CG-CG2 4.48Å; L146-I207 HydrophobicContact CD2-CD1 4.14Å; L146-I207 HydrophobicContact CD2-CG1 3.74Å
147W98.8Very high97.9Very high50 Ų5063.2 Ų63.219%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-142.5154174.361.2-93.1000111.8K149 L154 Q156 Q204 A205 G206 T212W147-K149 HydrophobicContact CE3-CG 4.14Å; W147-K149 HydrophobicContact CZ3-CD 4.06Å; W147-K149 HydrophobicContact CZ3-CG 4.05Å; W147-L154 HydrophobicContact CB-CD1 4.19Å; W147-Q156 CarbonylContact C-O 3.28Å; W147-Q156 VanDerWaalsContact CA-O 3.3Å; W147-Q156 WeakPolarHBondContact CA-O 3.45Å; W147-Q204 HydrophobicContact CH2-CG 3.57Å; W147-Q204 HydrophobicContact CZ3-CB 4.26Å; W147-Q204 HydrophobicContact CZ3-CG 3.67Å; W147-Q204 WeakPolarHBondContact CZ3-O 3.49Å; W147-A205 VanDerWaalsContact O-CA 3.27Å; W147-A205 WeakPolarHBondContact O-CA 3.04Å; W147-G206 VanDerWaalsContact CE2-CA 3.49Å; W147-G206 PolarHBondContact N-O 3.15Å; W147-G206 PolarHBondContact O-N 3.01Å; W147-T212 HydrophobicContact CH2-CG2 4.31Å; W147-T212 HydrophobicContact CZ2-CG2 3.77Å
148L98.8Very high97.8Very high0 Ų056.8 Ų56.80%030%0.303CS..EExtended strand (participates in β ladder)trans-144.8133.8174.5-175.3152.9000110.7H68 V70 L99 V150 R155 Q156 Q204 A205H68-L148 HydrophobicContact CB-CD1 3.97Å; H68-L148 HydrophobicContact CB-CD2 4.43Å; V70-L148 HydrophobicContact CB-CB 4.09Å; V70-L148 HydrophobicContact CB-CD1 4.04Å; V70-L148 HydrophobicContact CG1-CB 4.24Å; L99-L148 HydrophobicContact CD1-CD1 4.33Å; L99-L148 HydrophobicContact CD2-CD1 3.48Å; L99-L148 VanDerWaalsContact CD2-CD1 3.48Å; L148-V150 HydrophobicContact CD2-CG2 3.76Å; L148-R155 HydrophobicContact CD2-CB 4.25Å; L148-R155 PolarHBondContact O-N 2.9Å; L148-Q156 HydrophobicContact CB-CB 4.18Å; L148-Q156 PolarHBondContact N-O 3.03Å; L148-Q156 PolarHBondContact O-N 2.88Å; L148-Q156 VanDerWaalsContact O-N 3.14Å; L148-Q204 CarbonylContact C-O 3.55Å; L148-Q204 WeakPolarHBondContact CA-O 3.46Å; L148-A205 HydrophobicContact CB-CB 4.21Å; L148-A205 HydrophobicContact CD1-CB 4.21Å; L148-A205 HydrophobicContact CG-CB 4.17Å
149K98.9Very high97.8Very high64 Ų6457.4 Ų57.428%0.27831%0.308SS..EExtended strand (participates in β ladder)trans-113.1148170.9-62.1175.2-177.5174.30110.6W147 Q153 L154 L203 Q204W147-K149 HydrophobicContact CE3-CG 4.14Å; W147-K149 HydrophobicContact CZ3-CD 4.06Å; W147-K149 HydrophobicContact CZ3-CG 4.05Å; K149-Q153 CarbonylContact C-O 3.53Å; K149-Q153 WeakPolarHBondContact CA-O 3.38Å; K149-L154 HydrophobicContact CG-CD1 4.3Å; K149-L203 WeakPolarHBondContact O-CA 3.44Å; K149-Q204 PolarHBondContact N-O 3.06Å; K149-Q204 PolarHBondContact O-N 2.86Å
150V98.8Very high98Very high0 Ų051.8 Ų51.80%027%0.271CS..EExtended strand (participates in β ladder)trans-121.4120.1167.2-179.40000106.9L148 D152 Q153 R155 V197 D201 E202 L203L148-V150 HydrophobicContact CD2-CG2 3.76Å; V150-D152 VanDerWaalsContact C-N 3.33Å; V150-D152 PolarHBondContact O-N 2.82Å; V150-Q153 PolarHBondContact N-O 3.09Å; V150-Q153 WeakPolarHBondContact O-CB 3.43Å; V150-Q153 PolarHBondContact O-N 3.48Å; V150-R155 HydrophobicContact CB-CG 3.96Å; V150-R155 HydrophobicContact CG2-CG 3.72Å; V150-V197 HydrophobicContact CG2-CG1 4.13Å; V150-D201 HydrophobicContact CG1-CB 4.01Å; V150-E202 WeakPolarHBondContact CA-O 3.34Å; V150-L203 HydrophobicContact CG2-CG 4.35Å
151N98.4Very high98Very high72 Ų7251.2 Ų51.239%0.38527%0.274SS..THydrogen-bonded Turntrans4953.9-175.7-54.1-31.4000111.5Q153 D201 E202N151-Q153 PolarHBondContact O-N 2.9Å; N151-D201 PolarHBondContact ND2-OD1 2.85Å; N151-E202 PolarHBondContact N-O 3.01Å; N151-E202 PolarHBondContact OD1-N 2.84Å
152D98.1Very high97.9Very high131 Ų13155.2 Ų55.270%0.70129%0.292SS*.THydrogen-bonded Turntrans62.1-3.3-176-66-50.4000117.1V150V150-D152 VanDerWaalsContact C-N 3.33Å; V150-D152 PolarHBondContact O-N 2.82Å
153Q98.4Very high97.9Very high117 Ų11755 Ų5555%0.54728%0.282SS..EExtended strand (participates in β ladder)trans-88.9121.6177-61.3-179.4-9.700110.5K149 V150 N151 R155K149-Q153 CarbonylContact C-O 3.53Å; K149-Q153 WeakPolarHBondContact CA-O 3.38Å; V150-Q153 PolarHBondContact N-O 3.09Å; V150-Q153 WeakPolarHBondContact O-CB 3.43Å; V150-Q153 PolarHBondContact O-N 3.48Å; N151-Q153 PolarHBondContact O-N 2.9Å; Q153-R155 PolarHBondContact O-N 3.28Å
154L98.4Very high97.9Very high107 Ų10752.8 Ų52.856%0.5627%0.27SS*.EExtended strand (participates in β ladder)trans-60.7123.5174.6-17370.5000110.5W147 K149 Q156W147-L154 HydrophobicContact CB-CD1 4.19Å; K149-L154 HydrophobicContact CG-CD1 4.3Å; L154-Q156 WeakPolarHBondContact CD1-O 3.31Å
155R98.3Very high97.9Very high84 Ų8453.3 Ų53.332%0.31727%0.272SS..EExtended strand (participates in β ladder)trans-113.7-41.5178.8-61.9-58.9-178.472.83.8112.6L148 V150 Q153 S195L148-R155 HydrophobicContact CD2-CB 4.25Å; L148-R155 PolarHBondContact O-N 2.9Å; V150-R155 HydrophobicContact CB-CG 3.96Å; V150-R155 HydrophobicContact CG2-CG 3.72Å; Q153-R155 PolarHBondContact O-N 3.28Å; R155-S195 PolarHBondContact NH1-OG 3.4Å; R155-S195 VanDerWaalsContact NH1-OG 3.16Å
156Q98.3Very high97.9Very high1 Ų150.3 Ų50.31%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-123.8141.4174.7-62.7-176.8-86.700111H68 V70 W147 L148 L154 T190 P191 G193H68-Q156 PolarHBondContact CE1-OE1 3Å; H68-Q156 PolarHBondContact ND1-OE1 3.46Å; V70-Q156 HydrophobicContact CG1-CB 3.77Å; V70-Q156 HydrophobicContact CG1-CG 4.41Å; W147-Q156 CarbonylContact C-O 3.28Å; W147-Q156 VanDerWaalsContact CA-O 3.3Å; W147-Q156 WeakPolarHBondContact CA-O 3.45Å; L148-Q156 HydrophobicContact CB-CB 4.18Å; L148-Q156 PolarHBondContact N-O 3.03Å; L148-Q156 PolarHBondContact O-N 2.88Å; L148-Q156 VanDerWaalsContact O-N 3.14Å; L154-Q156 WeakPolarHBondContact CD1-O 3.31Å; Q156-T190 PolarHBondContact NE2-OG1 2.85Å; Q156-P191 PolarHBondContact NE2-O 3.43Å; Q156-G193 VanDerWaalsContact CG-O 3.24Å; Q156-G193 WeakPolarHBondContact CG-O 3.36Å
157S97.2Very high97.9Very high76 Ų7650.5 Ų50.553%0.53127%0.266SS..EExtended strand (participates in β ladder)trans-150.4125.5169.2-179.70000107.5L146L146-S157 WeakPolarHBondContact O-CA 3.34Å
158G96.5Very high97.9Very high6 Ų649.7 Ų49.76%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-154.4164.8-178.100000112.3K145 L146K145-G158 WeakPolarHBondContact CA-O 3.24Å; L146-G158 PolarHBondContact N-O 2.79Å; L146-G158 PolarHBondContact O-N 3.49Å
159C97.5Very high97.9Very high19 Ų1952.9 Ų52.913%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-122.2136.6173.3-171.70000110Y25 N143 V144 S161 Q162Y25-C159 WeakPolarHBondContact CE1-O 3.49Å; N143-C159 PolarHBondContact OD1-SG 2.85Å; V144-C159 CarbonylContact O-C 3.57Å; V144-C159 VanDerWaalsContact O-CA 3.29Å; V144-C159 WeakPolarHBondContact O-CA 3.48Å; C159-S161 PolarHBondContact O-N 3.28Å; C159-S161 PolarHBondContact SG-OG 3.4Å; C159-Q162 VanDerWaalsContact O-CB 3.28Å; C159-Q162 WeakPolarHBondContact O-CB 3.39Å; C159-Q162 WeakPolarHBondContact O-CG 3.14Å; C159-Q162 PolarHBondContact O-N 3.26Å
160T97.8Very high97.9Very high3 Ų349.9 Ų49.92%0.01827%0.267CS..G310 helixtrans-62.8-12.317960.60000113.4L72 P141 G142 N143 V144 L146 Q162 M163L72-T160 HydrophobicContact CB-CG2 4.2Å; L72-T160 HydrophobicContact CD2-CG2 4.02Å; P141-T160 VanDerWaalsContact O-CB 3.25Å; P141-T160 WeakPolarHBondContact O-CB 3.39Å; P141-T160 PolarHBondContact O-OG1 2.82Å; G142-T160 CarbonylContact O-C 3.52Å; N143-T160 PolarHBondContact N-OG1 2.81Å; N143-T160 VanDerWaalsContact N-OG1 3.17Å; V144-T160 HydrophobicContact CB-CG2 3.8Å; V144-T160 PolarHBondContact N-OG1 2.95Å; V144-T160 PolarHBondContact O-N 3.37Å; L146-T160 HydrophobicContact CD1-CG2 4.3Å; L146-T160 HydrophobicContact CG-CG2 4.48Å; T160-Q162 PolarHBondContact O-N 2.91Å; T160-M163 HydrophobicContact CG2-CE 3.65Å; T160-M163 VanDerWaalsContact O-CB 3.28Å; T160-M163 WeakPolarHBondContact O-CB 3.37Å; T160-M163 VanDerWaalsContact O-CG 3.26Å; T160-M163 WeakPolarHBondContact O-CG 3.4Å; T160-M163 PolarHBondContact O-N 3.41Å
161S96.8Very high97.9Very high76 Ų7649.9 Ų49.953%0.53127%0.267SS..G310 helixtrans-64.9-14.7169.663.60000113.5G142 C159 M163G142-S161 WeakPolarHBondContact O-CA 3.26Å; G142-S161 WeakPolarHBondContact O-CB 3.26Å; G142-S161 PolarHBondContact O-N 2.81Å; C159-S161 PolarHBondContact O-N 3.28Å; C159-S161 PolarHBondContact SG-OG 3.4Å; S161-M163 VanDerWaalsContact C-N 3.34Å
162Q96.3Very high97.9Very high97 Ų9747.1 Ų47.145%0.45325%0.253SS..G310 helixtrans-89.90.9175.5-55.9176.9-52.500112.8Y25 C159 T160Y25-Q162 HydrophobicContact CD1-CB 3.85Å; Y25-Q162 HydrophobicContact CE1-CB 4.13Å; C159-Q162 VanDerWaalsContact O-CB 3.28Å; C159-Q162 WeakPolarHBondContact O-CB 3.39Å; C159-Q162 WeakPolarHBondContact O-CG 3.14Å; C159-Q162 PolarHBondContact O-N 3.26Å; T160-Q162 PolarHBondContact O-N 2.91Å
163M97.5Very high98Very high25 Ų2542.3 Ų42.312%0.12323%0.225CC..BIsolated β-bridgetrans-63.3138.1174.6-74.5-179.5-178.200111N24 Y25 T160 S161 T188N24-M163 CarbonylContact O-C 3.47Å; N24-M163 WeakPolarHBondContact O-CA 3.46Å; Y25-M163 HydrophobicContact CD2-CG 4.47Å; Y25-M163 HydrophobicContact CE1-CG 4.36Å; Y25-M163 HydrophobicContact CE2-CE 4Å; Y25-M163 HydrophobicContact CE2-CG 3.8Å; Y25-M163 WeakPolarHBondContact OH-CE 3.36Å; T160-M163 HydrophobicContact CG2-CE 3.65Å; T160-M163 VanDerWaalsContact O-CB 3.28Å; T160-M163 WeakPolarHBondContact O-CB 3.37Å; T160-M163 VanDerWaalsContact O-CG 3.26Å; T160-M163 WeakPolarHBondContact O-CG 3.4Å; T160-M163 PolarHBondContact O-N 3.41Å; S161-M163 VanDerWaalsContact C-N 3.34Å; M163-T188 VanDerWaalsContact CE-CB 3.46Å; M163-T188 HydrophobicContact CE-CG2 4.39Å; M163-T188 WeakPolarHBondContact CE-OG1 3.32Å
164I96.6Very high98Very high59 Ų5936.7 Ų36.730%0.30320%0.199SC..SBendtrans-73.2-44.6173.7-64.6157.3000109.5R23 N24 A26 I36R23-I164 WeakPolarHBondContact O-CD1 3.45Å; N24-I164 PolarHBondContact O-N 3.01Å; N24-I164 PolarHBondContact OD1-N 3.35Å; A26-I164 HydrophobicContact CB-CD1 4.38Å; A26-I164 HydrophobicContact CB-CG1 4.4Å; I36-I164 HydrophobicContact CG2-CD1 3.92Å
165F98.1Very high98Very high18 Ų1831.6 Ų31.68%0.07917%0.173CC..SBendtrans-112120.4179-54.3-67.2000109.7N24 P37 P40 Y169 L170N24-F165 PolarHBondContact ND2-O 2.88Å; N24-F165 WeakPolarHBondContact OD1-CA 3.41Å; N24-F165 VanDerWaalsContact OD1-CB 3.31Å; N24-F165 WeakPolarHBondContact OD1-CB 3.23Å; N24-F165 VanDerWaalsContact OD1-CD2 3.25Å; N24-F165 WeakPolarHBondContact OD1-CD2 3.15Å; N24-F165 PolarHBondContact OD1-N 3.35Å; N24-F165 PolarHBondContact OD1-O 3.34Å; P37-F165 HydrophobicContact CG-CE2 4.13Å; P40-F165 HydrophobicContact CB-CD2 4.33Å; P40-F165 HydrophobicContact CB-CE2 4.46Å; P40-F165 HydrophobicContact CG-CD1 4.28Å; P40-F165 HydrophobicContact CG-CD2 3.85Å; P40-F165 HydrophobicContact CG-CE1 4.48Å; P40-F165 HydrophobicContact CG-CE2 4.07Å; P40-F165 HydrophobicContact CG-CG 3.97Å; P40-F165 HydrophobicContact CG-CZ 4.39Å; F165-Y169 HydrophobicContact CB-CD1 3.8Å; F165-Y169 HydrophobicContact CB-CE1 4.27Å; F165-Y169 AromaticContact CD1-CD1 3.77Å; F165-Y169 HydrophobicContact CD1-CD1 3.77Å; F165-Y169 AromaticContact CD1-CE1 3.45Å; F165-Y169 HydrophobicContact CD1-CE1 3.45Å; F165-Y169 VanDerWaalsContact CD1-CE1 3.45Å; F165-Y169 HydrophobicContact CE1-CE1 4.07Å; F165-Y169 HydrophobicContact CG-CD1 4.11Å; F165-Y169 HydrophobicContact CG-CE1 4.06Å; F165-L170 HydrophobicContact CB-CD2 3.63Å; F165-L170 HydrophobicContact CB-CG 4.09Å; F165-L170 HydrophobicContact CG-CD2 4.41Å
166S98.4Very high98Very high51 Ų5133 Ų3336%0.35718%0.183SC..  trans-70.3156.9-179.267.50000112.2Y169 L170S166-Y169 WeakPolarHBondContact O-CB 3.46Å; S166-Y169 PolarHBondContact O-N 3.44Å; S166-Y169 PolarHBondContact OG-N 3.09Å; S166-L170 WeakPolarHBondContact O-CG 3.22Å; S166-L170 PolarHBondContact O-N 2.75Å
167V98.7Very high98Very high4 Ų439.1 Ų39.12%0.02421%0.21CC..Hα-helixtrans-51.8-46.9175.9170.30000113V74 M89 P141 Y169 L170 I171 T188V74-V167 HydrophobicContact CG1-CG1 4.15Å; V74-V167 HydrophobicContact CG2-CG1 3.79Å; V74-V167 HydrophobicContact CG2-CG2 3.98Å; M89-V167 HydrophobicContact SD-CG1 3.99Å; P141-V167 HydrophobicContact CB-CG2 4.26Å; V167-Y169 VanDerWaalsContact C-N 3.31Å; V167-Y169 PolarHBondContact O-N 2.96Å; V167-L170 PolarHBondContact O-N 3.14Å; V167-I171 HydrophobicContact CG1-CD1 3.83Å; V167-I171 HydrophobicContact CG1-CG1 4.5Å; V167-I171 WeakPolarHBondContact O-CG1 3.48Å; V167-I171 PolarHBondContact O-N 2.63Å; V167-T188 HydrophobicContact CG2-CG2 4.24Å
168P98.8Very high98.1Very high33 Ų3338 Ų3821%0.21420%0.197CC..Hα-helixtrans-57.6-42175.2-25.433.7000113.5Q85 A88 M89 S172Q85-P168 HydrophobicContact CG-CB 3.82Å; A88-P168 HydrophobicContact CB-CB 4.03Å; A88-P168 WeakPolarHBondContact CB-O 3.37Å; M89-P168 HydrophobicContact CG-CG 3.97Å; M89-P168 HydrophobicContact SD-CG 3.87Å; P168-S172 WeakPolarHBondContact O-CB 3.4Å; P168-S172 PolarHBondContact O-N 3.01Å; P168-S172 VanDerWaalsContact O-N 3.11Å
169Y98.8Very high98.2Very high67 Ų6740.5 Ų40.526%0.26321%0.214SC..Hα-helixtrans-66.5-44.4178.6177.7-88.5000111.3P40 F165 S166 V167 I171 S172 Y173P40-Y169 HydrophobicContact CG-CD1 4.45Å; P40-Y169 HydrophobicContact CG-CE1 3.81Å; F165-Y169 HydrophobicContact CB-CD1 3.8Å; F165-Y169 HydrophobicContact CB-CE1 4.27Å; F165-Y169 AromaticContact CD1-CD1 3.77Å; F165-Y169 HydrophobicContact CD1-CD1 3.77Å; F165-Y169 AromaticContact CD1-CE1 3.45Å; F165-Y169 HydrophobicContact CD1-CE1 3.45Å; F165-Y169 VanDerWaalsContact CD1-CE1 3.45Å; F165-Y169 HydrophobicContact CE1-CE1 4.07Å; F165-Y169 HydrophobicContact CG-CD1 4.11Å; F165-Y169 HydrophobicContact CG-CE1 4.06Å; S166-Y169 WeakPolarHBondContact O-CB 3.46Å; S166-Y169 PolarHBondContact O-N 3.44Å; S166-Y169 PolarHBondContact OG-N 3.09Å; V167-Y169 VanDerWaalsContact C-N 3.31Å; V167-Y169 PolarHBondContact O-N 2.96Å; Y169-I171 PolarHBondContact O-N 3.04Å; Y169-S172 WeakPolarHBondContact O-CB 3.46Å; Y169-S172 PolarHBondContact O-N 3.24Å; Y169-Y173 HydrophobicContact CE1-CD2 4.42Å; Y169-Y173 HydrophobicContact CE1-CG 4.39Å; Y169-Y173 VanDerWaalsContact O-CB 3.31Å; Y169-Y173 WeakPolarHBondContact O-CB 3.37Å; Y169-Y173 PolarHBondContact O-N 2.76Å
170L98.8Very high98.3Very high1 Ų139.8 Ų39.81%0.00521%0.209CC..Hα-helixtrans-59.1-46.2178.4-68.9179.2000112V21 P40 F165 S166 V167 S172 I174 T188V21-L170 HydrophobicContact CB-CD2 4.49Å; V21-L170 HydrophobicContact CG1-CD2 3.94Å; V21-L170 HydrophobicContact CG2-CD1 4.08Å; V21-L170 HydrophobicContact CG2-CD2 3.87Å; V21-L170 HydrophobicContact CG2-CG 4.49Å; P40-L170 HydrophobicContact CB-CD2 4.06Å; P40-L170 HydrophobicContact CG-CD2 3.8Å; F165-L170 HydrophobicContact CB-CD2 3.63Å; F165-L170 HydrophobicContact CB-CG 4.09Å; F165-L170 HydrophobicContact CG-CD2 4.41Å; S166-L170 WeakPolarHBondContact O-CG 3.22Å; S166-L170 PolarHBondContact O-N 2.75Å; V167-L170 PolarHBondContact O-N 3.14Å; L170-S172 PolarHBondContact O-N 2.79Å; L170-I174 HydrophobicContact CB-CD1 4.41Å; L170-I174 WeakPolarHBondContact O-CB 3.46Å; L170-I174 WeakPolarHBondContact O-CD1 3.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.42Å; L170-T188 HydrophobicContact CD1-CG2 3.99Å
171I98.9Very high98.3Very high1 Ų142.9 Ų42.91%0.00522%0.223CC..Hα-helixtrans-59.8-48.2176.7-67.9165.1000110.4V74 I76 I83 A88 V92 V167 Y169 S175 L180 I186V74-I171 HydrophobicContact CG1-CD1 4.3Å; I76-I171 HydrophobicContact CD1-CG1 4.49Å; I83-I171 HydrophobicContact CD1-CG2 4.13Å; A88-I171 HydrophobicContact CB-CB 3.89Å; A88-I171 HydrophobicContact CB-CD1 4.24Å; A88-I171 HydrophobicContact CB-CG2 3.82Å; V92-I171 HydrophobicContact CG2-CD1 3.49Å; V92-I171 VanDerWaalsContact CG2-CD1 3.49Å; V167-I171 HydrophobicContact CG1-CD1 3.83Å; V167-I171 HydrophobicContact CG1-CG1 4.5Å; V167-I171 WeakPolarHBondContact O-CG1 3.48Å; V167-I171 PolarHBondContact O-N 2.63Å; Y169-I171 PolarHBondContact O-N 3.04Å; I171-S175 WeakPolarHBondContact O-CB 3.48Å; I171-S175 PolarHBondContact O-N 3.38Å; I171-S175 PolarHBondContact O-OG 3.19Å; I171-L180 HydrophobicContact CG2-CD1 3.92Å; I171-I186 HydrophobicContact CG1-CD1 3.91Å
172S98.8Very high98.4Very high13 Ų1343.5 Ų43.59%0.09122%0.217CC..Hα-helixtrans-56.3-58.8178.3-171.10000110.7I83 Q85 P168 Y169 L170 I174 S175 E176I83-S172 VanDerWaalsContact O-CA 3.3Å; I83-S172 WeakPolarHBondContact O-CA 3.37Å; I83-S172 WeakPolarHBondContact O-CB 3.37Å; I83-S172 PolarHBondContact O-OG 3.08Å; Q85-S172 PolarHBondContact N-OG 2.86Å; P168-S172 WeakPolarHBondContact O-CB 3.4Å; P168-S172 PolarHBondContact O-N 3.01Å; P168-S172 VanDerWaalsContact O-N 3.11Å; Y169-S172 WeakPolarHBondContact O-CB 3.46Å; Y169-S172 PolarHBondContact O-N 3.24Å; L170-S172 PolarHBondContact O-N 2.79Å; S172-I174 PolarHBondContact O-N 3.29Å; S172-S175 PolarHBondContact O-N 3.36Å; S172-S175 PolarHBondContact O-OG 3.16Å; S172-E176 PolarHBondContact O-N 3.42Å
173Y98.8Very high98.5Very high30 Ų3038.9 Ų38.912%0.11820%0.196CC..Hα-helixtrans-57.1-51.1-177.8-178-92.1000111.9E39 P40 L42 Y169 S175 E176 F177E39-Y173 HydrophobicContact CB-CE2 4.28Å; E39-Y173 HydrophobicContact CG-CE2 4.31Å; E39-Y173 PolarHBondContact OE2-OH 2.94Å; P40-Y173 HydrophobicContact CB-CD1 4.16Å; P40-Y173 HydrophobicContact CB-CE1 4.11Å; P40-Y173 HydrophobicContact CG-CD1 3.81Å; P40-Y173 HydrophobicContact CG-CE1 4.03Å; P40-Y173 HydrophobicContact CG-CG 4.15Å; L42-Y173 HydrophobicContact CD1-CD1 4.25Å; L42-Y173 HydrophobicContact CD1-CE1 4Å; L42-Y173 HydrophobicContact CG-CE1 4.38Å; Y169-Y173 HydrophobicContact CE1-CD2 4.42Å; Y169-Y173 HydrophobicContact CE1-CG 4.39Å; Y169-Y173 VanDerWaalsContact O-CB 3.31Å; Y169-Y173 WeakPolarHBondContact O-CB 3.37Å; Y169-Y173 PolarHBondContact O-N 2.76Å; Y173-S175 VanDerWaalsContact C-N 3.3Å; Y173-S175 PolarHBondContact O-N 3.08Å; Y173-E176 WeakPolarHBondContact O-CB 3.44Å; Y173-E176 PolarHBondContact O-N 3.38Å; Y173-F177 HydrophobicContact CD1-CD2 4.42Å; Y173-F177 HydrophobicContact CD1-CE2 4.15Å; Y173-F177 HydrophobicContact CD2-CE2 4.07Å; Y173-F177 HydrophobicContact CE1-CD2 4.22Å; Y173-F177 AromaticContact CE1-CE2 3.83Å; Y173-F177 HydrophobicContact CE1-CE2 3.83Å; Y173-F177 AromaticContact CE2-CE2 3.76Å; Y173-F177 HydrophobicContact CE2-CE2 3.76Å; Y173-F177 HydrophobicContact CE2-CZ 4.3Å; Y173-F177 HydrophobicContact CG-CE2 4.26Å; Y173-F177 AromaticContact CZ-CE2 3.62Å; Y173-F177 WeakPolarHBondContact O-CD2 3.43Å; Y173-F177 WeakPolarHBondContact O-CE2 3.26Å
174I98.8Very high98.5Very high0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-59.5-43.9-179.9-70.7164.8000110.5I19 V21 L42 L170 S172 E176 F177 I178 L180 I186I19-I174 HydrophobicContact CD1-CG2 3.73Å; I19-I174 HydrophobicContact CG2-CD1 3.85Å; I19-I174 HydrophobicContact CG2-CG1 4.23Å; I19-I174 HydrophobicContact CG2-CG2 4.06Å; V21-I174 HydrophobicContact CG2-CD1 4.26Å; L42-I174 HydrophobicContact CD1-CG1 3.89Å; L42-I174 HydrophobicContact CD2-CD1 4.12Å; L42-I174 HydrophobicContact CD2-CG1 3.82Å; L170-I174 HydrophobicContact CB-CD1 4.41Å; L170-I174 WeakPolarHBondContact O-CB 3.46Å; L170-I174 WeakPolarHBondContact O-CD1 3.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.42Å; S172-I174 PolarHBondContact O-N 3.29Å; I174-E176 PolarHBondContact O-N 3.11Å; I174-F177 PolarHBondContact O-N 3.45Å; I174-F177 VanDerWaalsContact O-N 3.08Å; I174-I178 HydrophobicContact CG2-CB 4.41Å; I174-I178 PolarHBondContact O-N 3.36Å; I174-L180 HydrophobicContact CG2-CD2 3.84Å; I174-I186 HydrophobicContact CD1-CD1 3.98Å; I174-I186 HydrophobicContact CD1-CG1 4.24Å; I174-I186 HydrophobicContact CD1-CG2 3.71Å
175S98.8Very high98.6Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-67.6-17.6-175.975.90000114.4A82 I83 I171 S172 Y173 F177 I178A82-S175 PolarHBondContact N-O 2.75Å; I83-S175 WeakPolarHBondContact CB-OG 3.41Å; I83-S175 PolarHBondContact N-OG 2.58Å; I171-S175 WeakPolarHBondContact O-CB 3.48Å; I171-S175 PolarHBondContact O-N 3.38Å; I171-S175 PolarHBondContact O-OG 3.19Å; S172-S175 PolarHBondContact O-N 3.36Å; S172-S175 PolarHBondContact O-OG 3.16Å; Y173-S175 VanDerWaalsContact C-N 3.3Å; Y173-S175 PolarHBondContact O-N 3.08Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-I178 WeakPolarHBondContact CA-O 3.37Å
176E98.6Very high98.7Very high113 Ų11334.1 Ų34.153%0.52817%0.172SC..Hα-helixtrans-68.3-31.4172.4-69.2176.8-168.800112S172 Y173 I174S172-E176 PolarHBondContact O-N 3.42Å; Y173-E176 WeakPolarHBondContact O-CB 3.44Å; Y173-E176 PolarHBondContact O-N 3.38Å; I174-E176 PolarHBondContact O-N 3.11Å
177F98.3Very high98.7Very high130 Ų13031.7 Ų31.757%0.5716%0.155SC*.Hα-helixtrans-107.1-34.3-175.9-52.5-74.9000113Y173 I174 S175Y173-F177 HydrophobicContact CD1-CD2 4.42Å; Y173-F177 HydrophobicContact CD1-CE2 4.15Å; Y173-F177 HydrophobicContact CD2-CE2 4.07Å; Y173-F177 HydrophobicContact CE1-CD2 4.22Å; Y173-F177 AromaticContact CE1-CE2 3.83Å; Y173-F177 HydrophobicContact CE1-CE2 3.83Å; Y173-F177 AromaticContact CE2-CE2 3.76Å; Y173-F177 HydrophobicContact CE2-CE2 3.76Å; Y173-F177 HydrophobicContact CE2-CZ 4.3Å; Y173-F177 HydrophobicContact CG-CE2 4.26Å; Y173-F177 AromaticContact CZ-CE2 3.62Å; Y173-F177 WeakPolarHBondContact O-CD2 3.43Å; Y173-F177 WeakPolarHBondContact O-CE2 3.26Å; I174-F177 PolarHBondContact O-N 3.45Å; I174-F177 VanDerWaalsContact O-N 3.08Å; S175-F177 VanDerWaalsContact C-N 3.3Å
178I98.6Very high98.7Very high53 Ų5331.5 Ų31.527%0.27215%0.154SC..SBendtrans-133.7106.3-174.3-55.8175.5000108.2K17 I19 L44 I174 S175 L180K17-I178 HydrophobicContact CD-CG2 4.01Å; I19-I178 HydrophobicContact CD1-CG2 4.08Å; L44-I178 HydrophobicContact CD2-CD1 4.49Å; I174-I178 HydrophobicContact CG2-CB 4.41Å; I174-I178 PolarHBondContact O-N 3.36Å; S175-I178 WeakPolarHBondContact CA-O 3.37Å; I178-L180 PolarHBondContact O-N 3.39Å
179S98.6Very high98.7Very high58 Ų5830 Ų3041%0.40614%0.144SC..  trans-53.3126.1174.6-56.60000111.1K17 T81K17-S179 WeakPolarHBondContact CE-O 3.25Å; K17-S179 PolarHBondContact NZ-O 3.13Å; T81-S179 WeakPolarHBondContact OG1-CB 3.29Å; T81-S179 PolarHBondContact OG1-OG 3.31Å
180L98.8Very high98.6Very high4 Ų426.9 Ų26.92%0.02113%0.132CC..BIsolated β-bridgetrans-83.6143.3176.5-61.2176.1000109.8I19 I76 G79 G80 I83 I171 I174 I178 I186I19-L180 HydrophobicContact CD1-CD2 3.64Å; I76-L180 HydrophobicContact CD1-CD1 3.98Å; I76-L180 HydrophobicContact CG1-CB 4.43Å; I76-L180 HydrophobicContact CG1-CD1 4.25Å; I76-L180 HydrophobicContact CG2-CB 4.23Å; G79-L180 CarbonylContact C-O 3.41Å; G79-L180 WeakPolarHBondContact CA-O 3.4Å; G80-L180 PolarHBondContact N-O 2.91Å; G80-L180 PolarHBondContact O-N 2.65Å; I83-L180 HydrophobicContact CD1-CD1 4.19Å; I171-L180 HydrophobicContact CG2-CD1 3.92Å; I174-L180 HydrophobicContact CG2-CD2 3.84Å; I178-L180 PolarHBondContact O-N 3.39Å; L180-I186 HydrophobicContact CD1-CD1 4.14Å; L180-I186 HydrophobicContact CD2-CD1 4.27Å
181E98.5Very high98.5Very high67 Ų6726.9 Ų26.931%0.31313%0.133SC..  trans-119.9158.3177.1-63.4174.9-114.600109.5R16 K17 I76 G183 D184R16-E181 WeakPolarHBondContact CD-OE2 3.47Å; R16-E181 IonicContact CZ-OE2 3.47Å; R16-E181 IonicContact NE-OE2 3.63Å; R16-E181 IonicContact NH1-OE2 2.63Å; R16-E181 PolarHBondContact NH1-OE2 3.39Å; K17-E181 IonicContact NZ-OE1 3.01Å; K17-E181 PolarHBondContact NZ-OE1 2.96Å; I76-E181 WeakPolarHBondContact CB-O 3.41Å; I76-E181 VanDerWaalsContact CG2-O 3.32Å; I76-E181 WeakPolarHBondContact CG2-O 3.33Å; E181-G183 PolarHBondContact O-N 2.84Å; E181-D184 WeakPolarHBondContact CA-OD2 3.31Å; E181-D184 WeakPolarHBondContact CB-OD2 3.46Å; E181-D184 PolarHBondContact N-OD2 3.06Å; E181-D184 WeakPolarHBondContact O-CB 3.31Å; E181-D184 PolarHBondContact O-N 3.44Å
182E98.3Very high98.4Very high89 Ų8932 Ų3242%0.41616%0.155SC..THydrogen-bonded Turntrans-56.6138.1171.6-161.2-172.2159.300110.1I8 W14 G77 D184I8-E182 HydrophobicContact CD1-CG 4.42Å; W14-E182 HydrophobicContact CH2-CB 4.35Å; W14-E182 HydrophobicContact CH2-CG 3.86Å; W14-E182 VanDerWaalsContact CZ3-C 3.49Å; W14-E182 HydrophobicContact CZ3-CB 4.33Å; W14-E182 HydrophobicContact CZ3-CG 4.34Å; W14-E182 WeakPolarHBondContact CZ3-O 3.43Å; G77-E182 WeakPolarHBondContact O-CG 3.35Å; E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.24Å
183G98.4Very high98.2Very high0 Ų032.3 Ų32.30%016%0.161CC..THydrogen-bonded Turntrans80.4-4-178.600000115.2G15 I76 E181G15-G183 WeakPolarHBondContact CA-O 3.45Å; I76-G183 PolarHBondContact O-N 3.18Å; E181-G183 PolarHBondContact O-N 2.84Å
184D98.8Very high98.1Very high0 Ų031.5 Ų31.50%016%0.159CC..  trans-66.5152.2171.4-69.6-19.9000111.6R16 K17 I76 E181 E182R16-D184 PolarHBondContact N-OD1 3.11Å; K17-D184 WeakPolarHBondContact CE-OD2 3.46Å; K17-D184 HydrophobicContact CG-CB 4.17Å; K17-D184 WeakPolarHBondContact CG-OD1 3.46Å; K17-D184 WeakPolarHBondContact CG-OD2 3.48Å; K17-D184 PolarHBondContact N-OD1 3.37Å; K17-D184 VanDerWaalsContact N-OD1 3.16Å; K17-D184 IonicContact NZ-OD1 3.83Å; K17-D184 IonicContact NZ-OD2 2.58Å; K17-D184 PolarHBondContact NZ-OD2 3.11Å; I76-D184 HydrophobicContact CB-CB 4.35Å; I76-D184 HydrophobicContact CG1-CB 4.21Å; I76-D184 PolarHBondContact N-O 2.94Å; E181-D184 WeakPolarHBondContact CA-OD2 3.31Å; E181-D184 WeakPolarHBondContact CB-OD2 3.46Å; E181-D184 PolarHBondContact N-OD2 3.06Å; E181-D184 WeakPolarHBondContact O-CB 3.31Å; E181-D184 PolarHBondContact O-N 3.44Å; E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.24Å
185L98.9Very high98Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-118.5134.1-179.3-177.968.5000110.5F11 K17 I18 I19 Y50 V74 V75 L187F11-L185 HydrophobicContact CE2-CB 4.19Å; F11-L185 HydrophobicContact CE2-CD1 4.04Å; F11-L185 HydrophobicContact CE2-CD2 4.08Å; F11-L185 HydrophobicContact CE2-CG 4.35Å; F11-L185 HydrophobicContact CZ-CD1 4.24Å; K17-L185 PolarHBondContact O-N 3.29Å; K17-L185 VanDerWaalsContact O-N 3.14Å; I18-L185 CarbonylContact C-O 3.51Å; I18-L185 WeakPolarHBondContact CA-O 3.45Å; I18-L185 HydrophobicContact CG1-CB 4.48Å; I18-L185 HydrophobicContact CG2-CB 4.45Å; I18-L185 HydrophobicContact CG2-CD2 4.17Å; I18-L185 HydrophobicContact CG2-CG 4.48Å; I19-L185 PolarHBondContact N-O 2.88Å; Y50-L185 HydrophobicContact CE1-CD2 3.59Å; Y50-L185 WeakPolarHBondContact OH-CB 3.44Å; Y50-L185 WeakPolarHBondContact OH-CD2 3.28Å; V74-L185 WeakPolarHBondContact O-CA 3.15Å; V75-L185 HydrophobicContact CG2-CD1 3.9Å; L185-L187 HydrophobicContact CD2-CD1 3.42Å; L185-L187 VanDerWaalsContact CD2-CD1 3.42Å; L185-L187 HydrophobicContact CG-CD1 3.73Å
186I98.9Very high98Very high2 Ų234.9 Ų34.91%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-110.1116.2169.5-57.2171.2000109.2I19 V21 G73 V74 I76 I171 I174 L180 T188I19-I186 CarbonylContact O-C 3.59Å; I19-I186 WeakPolarHBondContact O-CA 3.42Å; V21-I186 HydrophobicContact CG2-CG2 4.38Å; G73-I186 CarbonylContact C-O 3.47Å; G73-I186 VanDerWaalsContact CA-O 3.31Å; G73-I186 WeakPolarHBondContact CA-O 3.01Å; V74-I186 HydrophobicContact CB-CB 4.32Å; V74-I186 PolarHBondContact N-O 2.9Å; V74-I186 PolarHBondContact O-N 3.09Å; I76-I186 HydrophobicContact CD1-CD1 3.98Å; I171-I186 HydrophobicContact CG1-CD1 3.91Å; I174-I186 HydrophobicContact CD1-CD1 3.98Å; I174-I186 HydrophobicContact CD1-CG1 4.24Å; I174-I186 HydrophobicContact CD1-CG2 3.71Å; L180-I186 HydrophobicContact CD1-CD1 4.14Å; L180-I186 HydrophobicContact CD2-CD1 4.27Å; I186-T188 HydrophobicContact CG2-CG2 4.45Å
187L98.9Very high98Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-84.9124.6169.5-104.469.7000109.1I18 I19 C20 V21 E71 C98 D100 L185I18-L187 HydrophobicContact CG2-CD1 3.96Å; I19-L187 PolarHBondContact O-N 3.5Å; C20-L187 HydrophobicContact CB-CB 4Å; V21-L187 WeakPolarHBondContact CB-O 3.41Å; V21-L187 WeakPolarHBondContact CG2-O 3.48Å; V21-L187 PolarHBondContact N-O 3.13Å; E71-L187 HydrophobicContact CB-CG 4.32Å; E71-L187 VanDerWaalsContact OE2-C 3.3Å; E71-L187 WeakPolarHBondContact OE2-CB 3.41Å; C98-L187 HydrophobicContact CB-CD1 3.81Å; C98-L187 HydrophobicContact CB-CD2 4.17Å; C98-L187 HydrophobicContact CB-CG 4.02Å; D100-L187 HydrophobicContact CB-CD2 3.93Å; L185-L187 HydrophobicContact CD2-CD1 3.42Å; L185-L187 VanDerWaalsContact CD2-CD1 3.42Å; L185-L187 HydrophobicContact CG-CD1 3.73Å
188T98.8Very high97.9Very high0 Ų030.5 Ų30.50%017%0.167CC..  trans-99.28.2-162.257.20000114.5N24 E71 L72 V74 M163 V167 L170 I186N24-T188 WeakPolarHBondContact CB-O 3.22Å; N24-T188 PolarHBondContact ND2-O 3.32Å; E71-T188 PolarHBondContact OE2-N 3.1Å; L72-T188 WeakPolarHBondContact O-CB 3.38Å; L72-T188 WeakPolarHBondContact O-CG2 3.29Å; L72-T188 PolarHBondContact O-N 2.81Å; L72-T188 VanDerWaalsContact O-N 3.15Å; L72-T188 PolarHBondContact O-OG1 3.06Å; V74-T188 HydrophobicContact CG2-CG2 3.79Å; M163-T188 VanDerWaalsContact CE-CB 3.46Å; M163-T188 HydrophobicContact CE-CG2 4.39Å; M163-T188 WeakPolarHBondContact CE-OG1 3.32Å; V167-T188 HydrophobicContact CG2-CG2 4.24Å; L170-T188 HydrophobicContact CD1-CG2 3.99Å; I186-T188 HydrophobicContact CG2-CG2 4.45Å
189G97.9Very high97.8Very high1 Ų131.8 Ų31.81%0.0117%0.171CC..  trans96.6158.8-177.700000113.1V21 Y25 E71V21-G189 VanDerWaalsContact O-CA 3.24Å; V21-G189 WeakPolarHBondContact O-CA 3.43Å; V21-G189 PolarHBondContact O-N 3.44Å; Y25-G189 WeakPolarHBondContact CE2-O 2.97Å; E71-G189 VanDerWaalsContact CD-N 3.3Å; E71-G189 WeakPolarHBondContact CG-O 3.35Å; E71-G189 WeakPolarHBondContact OE1-CA 3.29Å; E71-G189 WeakPolarHBondContact OE2-CA 3.32Å; E71-G189 PolarHBondContact OE2-N 3.49Å
190T98.3Very high97.7Very high2 Ų235.8 Ų35.81%0.01218%0.183CC..  trans-107.3145.1-176.6-159.30000113.1Y25 H28 E69 V70 E71 Q156 V194Y25-T190 WeakPolarHBondContact CB-O 3.37Å; Y25-T190 VanDerWaalsContact CD2-C 3.48Å; Y25-T190 VanDerWaalsContact CD2-O 3.26Å; Y25-T190 WeakPolarHBondContact CD2-O 3.16Å; H28-T190 WeakPolarHBondContact CB-O 3.21Å; E69-T190 VanDerWaalsContact C-OG1 3.27Å; E69-T190 WeakPolarHBondContact CA-OG1 3.48Å; E69-T190 HydrophobicContact CB-CG2 3.81Å; E69-T190 HydrophobicContact CG-CG2 3.96Å; V70-T190 PolarHBondContact N-OG1 2.91Å; V70-T190 VanDerWaalsContact N-OG1 3.1Å; V70-T190 WeakPolarHBondContact O-CA 3.41Å; V70-T190 WeakPolarHBondContact O-CB 3.49Å; V70-T190 PolarHBondContact O-OG1 3.3Å; E71-T190 PolarHBondContact OE1-N 2.78Å; E71-T190 VanDerWaalsContact OE1-N 3.15Å; Q156-T190 PolarHBondContact NE2-OG1 2.85Å; T190-V194 HydrophobicContact CG2-CG1 3.65Å
191P96.8Very high97.7Very high2 Ų236.7 Ų36.71%0.01319%0.188CC..  trans-74.1174.8169.432.9-36.1000111.9Y25 V70 Q156Y25-P191 HydrophobicContact CD1-CB 3.94Å; Y25-P191 HydrophobicContact CE1-CB 4.06Å; Y25-P191 HydrophobicContact CG-CB 4.37Å; V70-P191 HydrophobicContact CG1-CG 4.17Å; V70-P191 VanDerWaalsContact O-CD 3.29Å; V70-P191 WeakPolarHBondContact O-CD 3.22Å; Q156-P191 PolarHBondContact NE2-O 3.43Å
192K95.1Very high97.7Very high107 Ų10738.2 Ų38.247%0.46520%0.195SC..SBendtrans-59163.4178.370.7-179.5172.9-155.70113.3D27 E31D27-K192 HydrophobicContact CB-CB 4.22Å; D27-K192 HydrophobicContact CB-CD 4.07Å; D27-K192 HydrophobicContact CB-CG 4.47Å; D27-K192 IonicContact OD2-NZ 2.75Å; D27-K192 PolarHBondContact OD2-NZ 2.97Å; E31-K192 WeakPolarHBondContact OE2-CA 3.15Å
193G96.2Very high97.8Very high21 Ų2134.1 Ų34.122%0.21618%0.176CC..  trans95.521.8175.900000113.3E31 H68 Q156 S195E31-G193 WeakPolarHBondContact OE1-CA 3.36Å; E31-G193 PolarHBondContact OE1-N 3.35Å; E31-G193 PolarHBondContact OE2-N 3.41Å; H68-G193 PolarHBondContact CE1-O 3.35Å; H68-G193 VanDerWaalsContact CE1-O 3.31Å; Q156-G193 VanDerWaalsContact CG-O 3.24Å; Q156-G193 WeakPolarHBondContact CG-O 3.36Å; G193-S195 PolarHBondContact O-N 3.12Å
194V96.5Very high97.8Very high13 Ų1336.7 Ų36.78%0.07919%0.189CC..  trans-62.9133.5172.7-58.80000109H28 L32 E69 T190H28-V194 VanDerWaalsContact CE1-CG1 3.49Å; H28-V194 WeakPolarHBondContact CE1-CG1 3.4Å; L32-V194 HydrophobicContact CD2-CG2 4.43Å; E69-V194 HydrophobicContact CG-CB 4.47Å; E69-V194 HydrophobicContact CG-CG1 3.82Å; T190-V194 HydrophobicContact CG2-CG1 3.65Å
195S96.5Very high97.8Very high28 Ų2836.8 Ų36.820%0.19619%0.189CC..  trans-148.3161.2-179.174.20000111.6H67 H68 R155 G193H67-S195 VanDerWaalsContact CA-O 3.29Å; H67-S195 WeakPolarHBondContact CA-O 3.36Å; H68-S195 PolarHBondContact CD2-O 3.19Å; H68-S195 PolarHBondContact N-O 3.22Å; H68-S195 PolarHBondContact NE2-N 2.91Å; H68-S195 PolarHBondContact NE2-OG 3.41Å; R155-S195 PolarHBondContact NH1-OG 3.4Å; R155-S195 VanDerWaalsContact NH1-OG 3.16Å; G193-S195 PolarHBondContact O-N 3.12Å
196A97.7Very high97.8Very high43 Ų4336.8 Ų36.836%0.35519%0.189SC..EExtended strand (participates in β ladder)trans-66.2145.517800000111.2N65 L66N65-A196 WeakPolarHBondContact OD1-CB 3.31Å; L66-A196 CarbonylContact O-C 3.54Å; L66-A196 VanDerWaalsContact O-CA 3.23Å; L66-A196 WeakPolarHBondContact O-CA 3.46Å
197V98.3Very high97.8Very high8 Ų837 Ų375%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-118.2152.3168-59.40000109.5L66 H68 M101 V150 D201 L203 V217L66-V197 HydrophobicContact CB-CG2 4.28Å; L66-V197 HydrophobicContact CD2-CG2 3.9Å; L66-V197 HydrophobicContact CG-CG2 4.07Å; L66-V197 PolarHBondContact O-N 2.63Å; H68-V197 HydrophobicContact CB-CG1 4.34Å; M101-V197 HydrophobicContact CE-CG2 4.14Å; V150-V197 HydrophobicContact CG2-CG1 4.13Å; V197-D201 WeakPolarHBondContact CA-OD2 3.45Å; V197-D201 HydrophobicContact CB-CB 4.44Å; V197-L203 HydrophobicContact CB-CD1 4.44Å; V197-L203 HydrophobicContact CG1-CD1 4.07Å; V197-L203 HydrophobicContact CG1-CD2 4.3Å; V197-L203 HydrophobicContact CG1-CG 4.43Å; V197-V217 HydrophobicContact CB-CG2 4.19Å; V197-V217 HydrophobicContact CG2-CG1 4.4Å; V197-V217 HydrophobicContact CG2-CG2 3.93Å
198Q96.7Very high97.3Very high142 Ų14241.6 Ų41.666%0.66421%0.212SC*.  trans-117165.6-179.2-60.8-170.1-0.400110.8H200 D201 V217Q198-H200 PolarHBondContact O-N 3.19Å; Q198-D201 PolarHBondContact N-OD2 3.23Å; Q198-D201 VanDerWaalsContact O-CB 3.3Å; Q198-D201 WeakPolarHBondContact O-CB 3.15Å; Q198-D201 PolarHBondContact O-N 2.76Å; Q198-D201 VanDerWaalsContact O-N 3.11Å; Q198-V217 VanDerWaalsContact O-CB 3.25Å; Q198-V217 WeakPolarHBondContact O-CB 3.12Å; Q198-V217 VanDerWaalsContact O-CG1 3.29Å; Q198-V217 WeakPolarHBondContact O-CG1 3.46Å
199E96.7Very high97Very high80 Ų8048.8 Ų48.837%0.37425%0.25SS..THydrogen-bonded Turntrans-53.2138.7170.3-172178.6-166.200110.5D201 R219E199-D201 PolarHBondContact O-N 2.86Å; E199-R219 HydrophobicContact CB-CG 4.24Å; E199-R219 HydrophobicContact CG-CB 4.5Å; E199-R219 HydrophobicContact CG-CG 4.17Å; E199-R219 WeakPolarHBondContact OE2-CD 3.22Å; E199-R219 IonicContact OE2-NE 3.07Å
200H97.5Very high96.9Very high142 Ų14250.7 Ų50.766%0.65726%0.261SS*.THydrogen-bonded Turntrans71.1-0.1-175-45.6-52.9000116.4Q198 V217Q198-H200 PolarHBondContact O-N 3.19Å; H200-V217 WeakPolarHBondContact CA-O 3.35Å; H200-V217 PolarHBondContact N-O 3.15Å
201D98.6Very high96.9Very high24 Ų2451.6 Ų51.613%0.12827%0.267CS..PPolyproline II helixtrans-62.1141.3169.6-80-16.4000110.8V150 N151 V197 Q198 E199 L203 V217V150-D201 HydrophobicContact CG1-CB 4.01Å; N151-D201 PolarHBondContact ND2-OD1 2.85Å; V197-D201 WeakPolarHBondContact CA-OD2 3.45Å; V197-D201 HydrophobicContact CB-CB 4.44Å; Q198-D201 PolarHBondContact N-OD2 3.23Å; Q198-D201 VanDerWaalsContact O-CB 3.3Å; Q198-D201 WeakPolarHBondContact O-CB 3.15Å; Q198-D201 PolarHBondContact O-N 2.76Å; Q198-D201 VanDerWaalsContact O-N 3.11Å; E199-D201 PolarHBondContact O-N 2.86Å; D201-L203 HydrophobicContact CB-CD1 4.22Å; D201-V217 HydrophobicContact CB-CB 4.46Å; D201-V217 HydrophobicContact CB-CG2 4.14Å; D201-V217 PolarHBondContact O-N 2.87Å
202E98.7Very high97Very high98 Ų9855.3 Ų55.346%0.45829%0.29SS..EExtended strand (participates in β ladder)trans-103.7119.7171.7-60.8-167.7164.600109.6V150 N151 K216V150-E202 WeakPolarHBondContact CA-O 3.34Å; N151-E202 PolarHBondContact N-O 3.01Å; N151-E202 PolarHBondContact OD1-N 2.84Å; E202-K216 HydrophobicContact CG-CG 4.35Å; E202-K216 WeakPolarHBondContact OE1-CE 2.99Å; E202-K216 IonicContact OE1-NZ 2.71Å; E202-K216 PolarHBondContact OE1-NZ 3.26Å
203L98.8Very high97.2Very high3 Ų350.2 Ų50.22%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-99.5127.3175.9-75.270.3000108.7I57 H68 L99 K149 V150 V197 D201 N214 F215 V217I57-L203 HydrophobicContact CD1-CD2 3.98Å; H68-L203 HydrophobicContact CB-CD2 3.98Å; L99-L203 HydrophobicContact CD1-CD2 3.78Å; K149-L203 WeakPolarHBondContact O-CA 3.44Å; V150-L203 HydrophobicContact CG2-CG 4.35Å; V197-L203 HydrophobicContact CB-CD1 4.44Å; V197-L203 HydrophobicContact CG1-CD1 4.07Å; V197-L203 HydrophobicContact CG1-CD2 4.3Å; V197-L203 HydrophobicContact CG1-CG 4.43Å; D201-L203 HydrophobicContact CB-CD1 4.22Å; L203-N214 CarbonylContact O-C 3.59Å; L203-N214 VanDerWaalsContact O-CA 3.3Å; L203-N214 WeakPolarHBondContact O-CA 3.21Å; L203-F215 PolarHBondContact N-O 2.73Å; L203-F215 PolarHBondContact O-N 2.69Å; L203-V217 HydrophobicContact CD1-CG2 3.37Å
204Q98.8Very high97.3Very high55 Ų5552.3 Ų52.326%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-119.7125.7168-177.6179.973.400108.3W147 L148 K149 N214W147-Q204 HydrophobicContact CH2-CG 3.57Å; W147-Q204 HydrophobicContact CZ3-CB 4.26Å; W147-Q204 HydrophobicContact CZ3-CG 3.67Å; W147-Q204 WeakPolarHBondContact CZ3-O 3.49Å; L148-Q204 CarbonylContact C-O 3.55Å; L148-Q204 WeakPolarHBondContact CA-O 3.46Å; K149-Q204 PolarHBondContact N-O 3.06Å; K149-Q204 PolarHBondContact O-N 2.86Å; Q204-N214 VanDerWaalsContact CG-OD1 3.26Å; Q204-N214 WeakPolarHBondContact CG-OD1 3.44Å; Q204-N214 PolarHBondContact NE2-OD1 3.22Å
205A98.8Very high97.4Very high2 Ų252 Ų522%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-132153.3178.700000110.7V70 L97 L99 W147 L148 T212 M213V70-A205 HydrophobicContact CG2-CB 4.36Å; L97-A205 VanDerWaalsContact CD2-C 3.45Å; L97-A205 HydrophobicContact CD2-CB 3.78Å; L99-A205 HydrophobicContact CD2-CB 4.1Å; W147-A205 VanDerWaalsContact O-CA 3.27Å; W147-A205 WeakPolarHBondContact O-CA 3.04Å; L148-A205 HydrophobicContact CB-CB 4.21Å; L148-A205 HydrophobicContact CD1-CB 4.21Å; L148-A205 HydrophobicContact CG-CB 4.17Å; A205-T212 CarbonylContact O-C 3.56Å; A205-T212 VanDerWaalsContact O-CA 3.32Å; A205-T212 WeakPolarHBondContact O-CA 3.49Å; A205-M213 HydrophobicContact CB-CE 4.07Å; A205-M213 HydrophobicContact CB-CG 4.45Å; A205-M213 PolarHBondContact N-O 3.3Å; A205-M213 PolarHBondContact O-N 3.24Å
206G98.7Very high97.5Very high0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-156.3165.4-179.700000115L97 W147 V211L97-G206 VanDerWaalsContact CD2-N 3.28Å; W147-G206 VanDerWaalsContact CE2-CA 3.49Å; W147-G206 PolarHBondContact N-O 3.15Å; W147-G206 PolarHBondContact O-N 3.01Å; G206-V211 CarbonylContact C-O 3.55Å; G206-V211 WeakPolarHBondContact CA-O 3.3Å
207I98.5Very high97.6Very high5 Ų554 Ų543%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-106.5122.7158.5-56.7-176.5000105.8L72 L97 I133 I138 V144 K145 L146 D209 V210 V211L72-I207 HydrophobicContact CD1-CD1 4.04Å; L97-I207 HydrophobicContact CB-CD1 4.32Å; L97-I207 HydrophobicContact CB-CG1 4.23Å; L97-I207 HydrophobicContact CD1-CD1 4.38Å; L97-I207 HydrophobicContact CD1-CG1 3.83Å; L97-I207 HydrophobicContact CG-CG1 4.46Å; I133-I207 HydrophobicContact CD1-CD1 3.75Å; I138-I207 HydrophobicContact CD1-CD1 4.1Å; V144-I207 HydrophobicContact CG1-CB 4.46Å; V144-I207 HydrophobicContact CG1-CD1 4.11Å; V144-I207 HydrophobicContact CG1-CG1 4.35Å; V144-I207 HydrophobicContact CG1-CG2 3.39Å; K145-I207 WeakPolarHBondContact O-CA 3.5Å; L146-I207 HydrophobicContact CD2-CD1 4.14Å; L146-I207 HydrophobicContact CD2-CG1 3.74Å; I207-D209 PolarHBondContact O-N 3Å; I207-V210 HydrophobicContact CB-CB 4.03Å; I207-V210 HydrophobicContact CG2-CB 3.81Å; I207-V210 HydrophobicContact CG2-CG2 3.99Å; I207-V210 PolarHBondContact O-N 3.34Å; I207-V211 HydrophobicContact CB-CG1 4.11Å; I207-V211 HydrophobicContact CD1-CG1 4.18Å; I207-V211 HydrophobicContact CG1-CG1 3.98Å; I207-V211 PolarHBondContact N-O 3.45Å; I207-V211 PolarHBondContact O-N 3.24Å
208E90.2Very high97.5Very high97 Ų9757.5 Ų57.545%0.45328%0.284SS..THydrogen-bonded Turntrans-48.5125.6-176.2-170172.9-148.700111K145 V210K145-E208 HydrophobicContact CB-CB 4.36Å; K145-E208 WeakPolarHBondContact CD-OE2 2.97Å; K145-E208 WeakPolarHBondContact CE-OE2 3.44Å; K145-E208 IonicContact NZ-OE2 3.93Å; K145-E208 PolarHBondContact NZ-OE2 2.86Å; K145-E208 PolarHBondContact O-N 2.8Å; E208-V210 PolarHBondContact O-N 3.2Å
209D90.9Very high97.3Very high151 Ų15155.1 Ų55.181%0.80727%0.269SS*.THydrogen-bonded Turntrans57.89.1-179.2-54.9-39.5000117.4R137 I207R137-D209 PolarHBondContact NH2-O 2.87Å; I207-D209 PolarHBondContact O-N 3Å
210V97.5Very high96.8Very high41 Ų4153.2 Ų53.225%0.24826%0.264CS..THydrogen-bonded Turntrans-115.4-55.3-176.41790000112.7I133 I138 I207 E208I133-V210 HydrophobicContact CD1-CG1 3.97Å; I133-V210 HydrophobicContact CG1-CG1 4.27Å; I133-V210 HydrophobicContact CG2-CG1 3.65Å; I138-V210 HydrophobicContact CD1-CG1 4.34Å; I138-V210 HydrophobicContact CG1-CG1 4.31Å; I207-V210 HydrophobicContact CB-CB 4.03Å; I207-V210 HydrophobicContact CG2-CB 3.81Å; I207-V210 HydrophobicContact CG2-CG2 3.99Å; I207-V210 PolarHBondContact O-N 3.34Å; E208-V210 PolarHBondContact O-N 3.2Å
211V98.4Very high95.8Very high21 Ų2153.8 Ų53.813%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-153.4150.3-177.474.20000110.6L97 I133 G206 I207L97-V211 HydrophobicContact CB-CG1 4.01Å; I133-V211 HydrophobicContact CD1-CB 4.14Å; I133-V211 HydrophobicContact CD1-CG1 3.62Å; I133-V211 HydrophobicContact CG1-CB 4.35Å; I133-V211 HydrophobicContact CG1-CG1 4.33Å; G206-V211 CarbonylContact C-O 3.55Å; G206-V211 WeakPolarHBondContact CA-O 3.3Å; I207-V211 HydrophobicContact CB-CG1 4.11Å; I207-V211 HydrophobicContact CD1-CG1 4.18Å; I207-V211 HydrophobicContact CG1-CG1 3.98Å; I207-V211 PolarHBondContact N-O 3.45Å; I207-V211 PolarHBondContact O-N 3.24Å
212T98.5Very high93.8Very high80 Ų8063.1 Ų63.149%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-133.8152.6167.955.10000109.4W147 A205W147-T212 HydrophobicContact CH2-CG2 4.31Å; W147-T212 HydrophobicContact CZ2-CG2 3.77Å; A205-T212 CarbonylContact O-C 3.56Å; A205-T212 VanDerWaalsContact O-CA 3.32Å; A205-T212 WeakPolarHBondContact O-CA 3.49Å
213M98.6Very high93.6Very high1 Ų161.4 Ų61.41%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-144.1148.317365.8-172.2-17200110.4L97 L99 S130 A205 F215L97-M213 HydrophobicContact CB-CE 4.45Å; L97-M213 HydrophobicContact CB-SD 4.42Å; L97-M213 HydrophobicContact CD2-CE 3.91Å; L97-M213 HydrophobicContact CD2-CG 4.29Å; L97-M213 HydrophobicContact CD2-SD 4.26Å; L97-M213 HydrophobicContact CG-CE 3.9Å; L97-M213 HydrophobicContact CG-SD 4.42Å; L99-M213 HydrophobicContact CD1-CE 4.26Å; L99-M213 HydrophobicContact CD2-CE 3.72Å; L99-M213 HydrophobicContact CG-CE 3.57Å; S130-M213 PolarHBondContact N-SD 3.08Å; S130-M213 VanDerWaalsContact N-SD 3.44Å; A205-M213 HydrophobicContact CB-CE 4.07Å; A205-M213 HydrophobicContact CB-CG 4.45Å; A205-M213 PolarHBondContact N-O 3.3Å; A205-M213 PolarHBondContact O-N 3.24Å; M213-F215 HydrophobicContact CB-CE2 3.96Å; M213-F215 HydrophobicContact CE-CE2 4.3Å; M213-F215 HydrophobicContact CG-CD2 4.19Å; M213-F215 HydrophobicContact CG-CE2 3.78Å; M213-F215 HydrophobicContact SD-CD2 4.48Å; M213-F215 HydrophobicContact SD-CE2 3.69Å
214N98.7Very high93.3Very high64 Ų6464.5 Ų64.534%0.34232%0.323SS..EExtended strand (participates in β ladder)trans-123140178.3-48.7-89.4000110.8E53 L203 Q204E53-N214 WeakPolarHBondContact CG-O 3.24Å; E53-N214 WeakPolarHBondContact OE1-CB 3.29Å; E53-N214 PolarHBondContact OE1-N 2.64Å; E53-N214 PolarHBondContact OE1-ND2 3.43Å; L203-N214 CarbonylContact O-C 3.59Å; L203-N214 VanDerWaalsContact O-CA 3.3Å; L203-N214 WeakPolarHBondContact O-CA 3.21Å; Q204-N214 VanDerWaalsContact CG-OD1 3.26Å; Q204-N214 WeakPolarHBondContact CG-OD1 3.44Å; Q204-N214 PolarHBondContact NE2-OD1 3.22Å
215F98.8Very high93Very high8 Ų865 Ų654%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-139.8141.4178.2-73.4-91000110.4V51 R52 E53 S55 I57 P128 L203 M213V51-F215 HydrophobicContact CG1-CD1 4.47Å; V51-F215 HydrophobicContact CG1-CE1 3.95Å; V51-F215 HydrophobicContact CG2-CE1 4.34Å; R52-F215 WeakPolarHBondContact O-CE1 3.3Å; E53-F215 HydrophobicContact CB-CZ 4.43Å; S55-F215 WeakPolarHBondContact O-CD1 3.46Å; I57-F215 HydrophobicContact CD1-CB 3.57Å; I57-F215 HydrophobicContact CD1-CD1 4.46Å; I57-F215 HydrophobicContact CD1-CG 4.08Å; I57-F215 HydrophobicContact CG1-CB 3.89Å; I57-F215 HydrophobicContact CG1-CD1 4.05Å; I57-F215 HydrophobicContact CG1-CG 4.18Å; P128-F215 HydrophobicContact CB-CD1 4.15Å; P128-F215 HydrophobicContact CB-CD2 4.03Å; P128-F215 HydrophobicContact CB-CE1 3.86Å; P128-F215 HydrophobicContact CB-CE2 3.75Å; P128-F215 HydrophobicContact CB-CG 4.23Å; P128-F215 HydrophobicContact CB-CZ 3.66Å; L203-F215 PolarHBondContact N-O 2.73Å; L203-F215 PolarHBondContact O-N 2.69Å; M213-F215 HydrophobicContact CB-CE2 3.96Å; M213-F215 HydrophobicContact CE-CE2 4.3Å; M213-F215 HydrophobicContact CG-CD2 4.19Å; M213-F215 HydrophobicContact CG-CE2 3.78Å; M213-F215 HydrophobicContact SD-CD2 4.48Å; M213-F215 HydrophobicContact SD-CE2 3.69Å
216K98.6Very high92.6Very high111 Ų11168.7 Ų68.748%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-96.4145.4167.7-61-162.6177.1-143.20109.7P56 I57 E202P56-K216 CarbonylContact C-O 3.5Å; P56-K216 WeakPolarHBondContact CA-O 3.37Å; I57-K216 PolarHBondContact N-O 3.16Å; E202-K216 HydrophobicContact CG-CG 4.35Å; E202-K216 WeakPolarHBondContact OE1-CE 2.99Å; E202-K216 IonicContact OE1-NZ 2.71Å; E202-K216 PolarHBondContact OE1-NZ 3.26Å
217V98.5Very high92.3Very high0 Ų073 Ų730%037%0.366CS..EExtended strand (participates in β ladder)trans-93128.8170.8-175.10000109I57 V59 V197 Q198 H200 D201 L203I57-V217 HydrophobicContact CB-CG2 4.48Å; I57-V217 WeakPolarHBondContact O-CA 3.41Å; V59-V217 HydrophobicContact CG2-CG1 3.43Å; V59-V217 VanDerWaalsContact CG2-CG1 3.43Å; V197-V217 HydrophobicContact CB-CG2 4.19Å; V197-V217 HydrophobicContact CG2-CG1 4.4Å; V197-V217 HydrophobicContact CG2-CG2 3.93Å; Q198-V217 VanDerWaalsContact O-CB 3.25Å; Q198-V217 WeakPolarHBondContact O-CB 3.12Å; Q198-V217 VanDerWaalsContact O-CG1 3.29Å; Q198-V217 WeakPolarHBondContact O-CG1 3.46Å; H200-V217 WeakPolarHBondContact CA-O 3.35Å; H200-V217 PolarHBondContact N-O 3.15Å; D201-V217 HydrophobicContact CB-CB 4.46Å; D201-V217 HydrophobicContact CB-CG2 4.14Å; D201-V217 PolarHBondContact O-N 2.87Å; L203-V217 HydrophobicContact CD1-CG2 3.37Å
218E97.5Very high91.8Very high82 Ų8277.5 Ų77.538%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-130.2158.8177.2-66.4179.8-165.300110.1P56 I57 L58 V59P56-E218 HydrophobicContact CB-CB 3.94Å; P56-E218 VanDerWaalsContact CB-CD 3.41Å; P56-E218 HydrophobicContact CB-CG 3.67Å; P56-E218 HydrophobicContact CG-CB 4.42Å; P56-E218 HydrophobicContact CG-CG 4.35Å; P56-E218 WeakPolarHBondContact CG-OE2 3.23Å; I57-E218 PolarHBondContact O-N 2.86Å; L58-E218 WeakPolarHBondContact CA-O 3.32Å; L58-E218 HydrophobicContact CD2-CB 4.06Å; V59-E218 PolarHBondContact N-O 2.84Å
219R92.4Very high92Very high92 Ų9276.1 Ų76.135%0.34738%0.384SS..  trans-100.6136164.6-74.9-174.8176.9-86.6-1.4108.6V59 E199V59-R219 HydrophobicContact CB-CG 4.09Å; V59-R219 HydrophobicContact CG2-CG 4.33Å; E199-R219 HydrophobicContact CB-CG 4.24Å; E199-R219 HydrophobicContact CG-CB 4.5Å; E199-R219 HydrophobicContact CG-CG 4.17Å; E199-R219 WeakPolarHBondContact OE2-CD 3.22Å; E199-R219 IonicContact OE2-NE 3.07Å
220P86.1Confident92.1Very high41 Ų4170.4 Ų70.427%0.26635%0.352SS..  trans-64.9144.6172.627.2-31.2000109.6V59 L61 H222V59-P220 VanDerWaalsContact O-CD 3.29Å; V59-P220 WeakPolarHBondContact O-CD 3.34Å; L61-P220 HydrophobicContact CD2-CG 3.93Å; L61-P220 HydrophobicContact CG-CG 3.98Å; P220-H222 VanDerWaalsContact C-N 3.26Å; P220-H222 PolarHBondContact O-N 2.82Å
221D76Confident91.6Very high154 Ų15472.8 Ų72.882%0.82436%0.36SS*.  trans-62.7-27.4-172-78.6-40.5000113.9
222H57.2Low91Very high220 Ų22077.5 Ų77.5100%1.01938%0.381SS*.  trans-157.50176.3-68.2-57.4000112.5L61 P220L61-H222 WeakPolarHBondContact CD1-OXT 3.39Å; P220-H222 VanDerWaalsContact C-N 3.26Å; P220-H222 PolarHBondContact O-N 2.82Å

Retrieved 222 of 222 residues in 308.6 ms (Link to these results)

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