A0A087Y5Z2_POEFO Loading...

Translation initiation factor eIF2 assembly protein

ATP-dependent protein-folding chaperone for the eIF2 complex. Binds to the gamma subunit of the eIF2 complex which allows the subunit to assemble with the alpha and beta subunits.

AlphaFold DB , UniProt , Accession A0A087Y5Z2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 aa.

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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
1M87.4Confident94.8Very high43 Ų4338.3 Ų38.321%0.21218%0.181CC..  01410177.2-174.474.600109.2Q5 V6 C153 S154 P252 V256M1-Q5 HydrophobicContact CG-CB 4.09Å; M1-V6 HydrophobicContact CE-CG2 3.24Å; M1-V6 HydrophobicContact CG-CG2 4.28Å; M1-V6 HydrophobicContact SD-CG2 3.55Å; M1-V6 VanDerWaalsContact SD-CG2 3.55Å; M1-C153 VanDerWaalsContact CE-SG 3.56Å; M1-C153 CarbonylContact O-C 3.46Å; M1-C153 WeakPolarHBondContact O-CA 3.38Å; M1-S154 PolarHBondContact O-N 2.95Å; M1-S154 PolarHBondContact O-OG 3.19Å; M1-S154 VanDerWaalsContact O-OG 3.1Å; M1-P252 HydrophobicContact CG-CB 3.9Å; M1-P252 HydrophobicContact SD-CB 3.05Å; M1-P252 WeakPolarHBondContact SD-CB 3.5Å; M1-P252 HydrophobicContact SD-CG 3.53Å; M1-P252 VanDerWaalsContact SD-CG 3.53Å; M1-V256 HydrophobicContact CE-CG1 4Å; M1-V256 HydrophobicContact SD-CG1 3.78Å
2K91.6Very high95Very high122 Ų12238.5 Ų38.553%0.5319%0.19SC..  trans-98156.4174-63-175.2179.8177.90111.8E4 Q5 D155K2-E4 PolarHBondContact O-N 2.94Å; K2-Q5 HydrophobicContact CB-CG 4.47Å; K2-Q5 WeakPolarHBondContact O-CB 3.48Å; K2-Q5 PolarHBondContact O-N 3.47Å; K2-D155 VanDerWaalsContact CA-OD1 3.28Å; K2-D155 WeakPolarHBondContact CA-OD1 3.36Å
3K93.6Very high95.2Very high9 Ų938.8 Ų38.84%0.03920%0.195CC..Hα-helixtrans-55.1-36.7176.5-66.4-177.5-170.7-177.20113Q5 V6 V7 F150 C153 D155 Q156 S158 D160 P161K3-Q5 VanDerWaalsContact C-N 3.31Å; K3-Q5 PolarHBondContact O-N 3.38Å; K3-V6 WeakPolarHBondContact O-CB 3.39Å; K3-V6 PolarHBondContact O-N 3.18Å; K3-V7 WeakPolarHBondContact O-CG2 3.42Å; K3-V7 PolarHBondContact O-N 3.4Å; K3-V7 VanDerWaalsContact O-N 3.1Å; K3-F150 HydrophobicContact CB-CD1 3.95Å; K3-F150 HydrophobicContact CB-CE1 4.19Å; K3-F150 HydrophobicContact CD-CB 4.41Å; K3-F150 HydrophobicContact CD-CD1 4.43Å; K3-F150 HydrophobicContact CD-CG 4.36Å; K3-F150 HydrophobicContact CG-CB 4.22Å; K3-F150 HydrophobicContact CG-CD1 3.85Å; K3-F150 HydrophobicContact CG-CG 4.17Å; K3-C153 HydrophobicContact CG-CB 3.67Å; K3-D155 VanDerWaalsContact CE-O 3.23Å; K3-D155 WeakPolarHBondContact CE-O 3.23Å; K3-D155 PolarHBondContact N-OD1 3.25Å; K3-D155 PolarHBondContact N-OD2 3.05Å; K3-D155 PolarHBondContact NZ-O 3.22Å; K3-Q156 PolarHBondContact NZ-O 3.32Å; K3-S158 PolarHBondContact NZ-O 3.1Å; K3-D160 WeakPolarHBondContact CE-OD1 3.28Å; K3-D160 IonicContact NZ-OD1 2.82Å; K3-D160 PolarHBondContact NZ-OD1 2.64Å; K3-P161 HydrophobicContact CB-CG 4.26Å
4E94.3Very high95.4Very high121 Ų12136 Ų3657%0.56518%0.181SC*.Hα-helixtrans-59.5-38.3176.6-174.4172.7-159.300112.9K2 V6 V7 H8K2-E4 PolarHBondContact O-N 2.94Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 2.97Å; E4-V7 WeakPolarHBondContact O-CB 3.44Å; E4-V7 PolarHBondContact O-N 3.21Å; E4-V7 VanDerWaalsContact O-N 3.17Å; E4-H8 PolarHBondContact O-N 3.24Å; E4-H8 IonicContact OE1-CE1 3.41Å; E4-H8 IonicContact OE1-NE2 2.75Å
5Q94.1Very high95.6Very high34 Ų3434.7 Ų34.716%0.15917%0.173CC..Hα-helixtrans-67.4-34.5178.3-61.2179.2-72.400111.7M1 K2 K3 H8 C9M1-Q5 HydrophobicContact CG-CB 4.09Å; K2-Q5 HydrophobicContact CB-CG 4.47Å; K2-Q5 WeakPolarHBondContact O-CB 3.48Å; K2-Q5 PolarHBondContact O-N 3.47Å; K3-Q5 VanDerWaalsContact C-N 3.31Å; K3-Q5 PolarHBondContact O-N 3.38Å; Q5-H8 PolarHBondContact O-N 3.35Å; Q5-C9 PolarHBondContact O-N 3Å; Q5-C9 PolarHBondContact O-SG 2.94Å
6V95.4Very high95.7Very high7 Ų737.9 Ų37.94%0.04220%0.197CC..Hα-helixtrans-64-45.8172.4-178.60000109.9M1 K3 E4 H8 C9 W109 F150 P252M1-V6 HydrophobicContact CE-CG2 3.24Å; M1-V6 HydrophobicContact CG-CG2 4.28Å; M1-V6 HydrophobicContact SD-CG2 3.55Å; M1-V6 VanDerWaalsContact SD-CG2 3.55Å; K3-V6 WeakPolarHBondContact O-CB 3.39Å; K3-V6 PolarHBondContact O-N 3.18Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 2.97Å; V6-H8 VanDerWaalsContact C-N 3.33Å; V6-H8 PolarHBondContact O-N 2.93Å; V6-C9 PolarHBondContact O-N 2.94Å; V6-C9 VanDerWaalsContact O-N 3.14Å; V6-W109 HydrophobicContact CG1-CZ2 3.84Å; V6-W109 PolarHBondContact O-NE1 3.35Å; V6-F150 HydrophobicContact CB-CD1 4.07Å; V6-F150 HydrophobicContact CB-CE1 3.92Å; V6-F150 HydrophobicContact CG1-CD1 4.1Å; V6-F150 HydrophobicContact CG1-CE1 3.88Å; V6-F150 HydrophobicContact CG2-CD1 4.29Å; V6-P252 HydrophobicContact CG2-CG 4.31Å
7V96.4Very high95.9Very high35 Ų3539.6 Ų39.621%0.21221%0.206CC..Hα-helixtrans-59.7-42.1177.6170.70000111.6K3 E4 C9 Q10 F150 P161 I163K3-V7 WeakPolarHBondContact O-CG2 3.42Å; K3-V7 PolarHBondContact O-N 3.4Å; K3-V7 VanDerWaalsContact O-N 3.1Å; E4-V7 WeakPolarHBondContact O-CB 3.44Å; E4-V7 PolarHBondContact O-N 3.21Å; E4-V7 VanDerWaalsContact O-N 3.17Å; V7-C9 VanDerWaalsContact C-N 3.26Å; V7-C9 PolarHBondContact O-N 2.81Å; V7-Q10 WeakPolarHBondContact O-CB 3.5Å; V7-Q10 VanDerWaalsContact O-CG 3.29Å; V7-Q10 WeakPolarHBondContact O-CG 3.25Å; V7-Q10 PolarHBondContact O-N 3.24Å; V7-Q10 PolarHBondContact O-NE2 2.85Å; V7-F150 HydrophobicContact CG2-CE1 4.24Å; V7-F150 HydrophobicContact CG2-CZ 4.36Å; V7-P161 HydrophobicContact CG2-CB 3.96Å; V7-P161 HydrophobicContact CG2-CG 3.9Å; V7-I163 HydrophobicContact CG2-CD1 4.15Å
8H96.8Very high96Very high33 Ų3337.5 Ų37.515%0.15320%0.195CC..Hα-helixtrans-66.3-26178-68.6164.5000113.8E4 Q5 V6 Q10 F228 L229 D230E4-H8 PolarHBondContact O-N 3.24Å; E4-H8 IonicContact OE1-CE1 3.41Å; E4-H8 IonicContact OE1-NE2 2.75Å; Q5-H8 PolarHBondContact O-N 3.35Å; V6-H8 VanDerWaalsContact C-N 3.33Å; V6-H8 PolarHBondContact O-N 2.93Å; H8-Q10 VanDerWaalsContact C-N 3.3Å; H8-Q10 PolarHBondContact O-N 3.04Å; H8-F228 HydrophobicContact CB-CZ 4.03Å; H8-F228 WeakPolarHBondContact O-CE2 3.39Å; H8-L229 HydrophobicContact CB-CB 4.35Å; H8-L229 HydrophobicContact CB-CD1 4.17Å; H8-L229 VanDerWaalsContact CD2-CD1 3.42Å; H8-L229 WeakPolarHBondContact CD2-CD1 3.05Å; H8-D230 VanDerWaalsContact CB-OD2 3.27Å; H8-D230 WeakPolarHBondContact CB-OD2 3.4Å; H8-D230 IonicContact CE1-OD1 2.71Å; H8-D230 IonicContact CG-OD2 3.52Å; H8-D230 IonicContact ND1-OD1 2.65Å; H8-D230 PolarHBondContact ND1-OD1 3.17Å; H8-D230 IonicContact ND1-OD2 2.69Å; H8-D230 PolarHBondContact ND1-OD2 2.91Å
9C97.3Very high96.1Very high1 Ų142.4 Ų42.41%0.00721%0.214CC..THydrogen-bonded Turntrans-83.2-0.8177.2-65.50000114Q5 V6 V7 W14 P252Q5-C9 PolarHBondContact O-N 3Å; Q5-C9 PolarHBondContact O-SG 2.94Å; V6-C9 PolarHBondContact O-N 2.94Å; V6-C9 VanDerWaalsContact O-N 3.14Å; V7-C9 VanDerWaalsContact C-N 3.26Å; V7-C9 PolarHBondContact O-N 2.81Å; C9-W14 VanDerWaalsContact O-CD1 3.31Å; C9-W14 PolarHBondContact O-NE1 2.97Å; C9-P252 HydrophobicContact CB-CG 4.15Å; C9-P252 VanDerWaalsContact SG-N 3.39Å
10Q97.8Very high96.1Very high16 Ų1649.2 Ų49.28%0.07524%0.242CC..SBendtrans-60.7139.9172.8-69.8179.893.800111.3V7 H8 S12 V13 W14 N108 W109V7-Q10 WeakPolarHBondContact O-CB 3.5Å; V7-Q10 VanDerWaalsContact O-CG 3.29Å; V7-Q10 WeakPolarHBondContact O-CG 3.25Å; V7-Q10 PolarHBondContact O-N 3.24Å; V7-Q10 PolarHBondContact O-NE2 2.85Å; H8-Q10 VanDerWaalsContact C-N 3.3Å; H8-Q10 PolarHBondContact O-N 3.04Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.89Å; Q10-V13 HydrophobicContact CB-CB 4.45Å; Q10-V13 HydrophobicContact CB-CG2 4Å; Q10-V13 WeakPolarHBondContact O-CB 3.43Å; Q10-V13 PolarHBondContact O-N 2.74Å; Q10-W14 PolarHBondContact O-N 2.85Å; Q10-N108 HydrophobicContact CG-CB 4.22Å; Q10-N108 PolarHBondContact OE1-ND2 3.35Å; Q10-W109 VanDerWaalsContact CG-CE2 3.47Å; Q10-W109 HydrophobicContact CG-CH2 4.47Å; Q10-W109 HydrophobicContact CG-CZ2 3.44Å; Q10-W109 VanDerWaalsContact CG-CZ2 3.44Å; Q10-W109 VanDerWaalsContact CG-NE1 3.35Å
11F97.9Very high96.2Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-55.2-45.6-177.4-167.1-81.7000112.5V13 W14 Y15 S25 I27 K106 N108 E166 V168F11-V13 PolarHBondContact O-N 3.4Å; F11-W14 AromaticContact CD2-CE2 3.86Å; F11-W14 AromaticContact CD2-CH2 3.64Å; F11-W14 HydrophobicContact CD2-CH2 3.64Å; F11-W14 AromaticContact CD2-CZ2 3.16Å; F11-W14 HydrophobicContact CD2-CZ2 3.16Å; F11-W14 AromaticContact CE2-CH2 3.28Å; F11-W14 HydrophobicContact CE2-CH2 3.28Å; F11-W14 AromaticContact CE2-CZ2 3.36Å; F11-W14 HydrophobicContact CE2-CZ2 3.36Å; F11-W14 HydrophobicContact CE2-CZ3 4.23Å; F11-W14 HydrophobicContact CG-CZ2 4.02Å; F11-W14 AromaticContact CZ-CH2 3.96Å; F11-W14 HydrophobicContact CZ-CH2 3.96Å; F11-W14 HydrophobicContact CZ-CZ2 4.33Å; F11-W14 PolarHBondContact O-N 2.91Å; F11-Y15 HydrophobicContact CD1-CD2 4.47Å; F11-Y15 HydrophobicContact CD1-CG 4.15Å; F11-Y15 HydrophobicContact CE1-CD1 4.11Å; F11-Y15 AromaticContact CE1-CD2 3.42Å; F11-Y15 HydrophobicContact CE1-CD2 3.42Å; F11-Y15 VanDerWaalsContact CE1-CD2 3.42Å; F11-Y15 HydrophobicContact CE1-CE2 4.14Å; F11-Y15 AromaticContact CE1-CG 3.41Å; F11-Y15 HydrophobicContact CE1-CG 3.41Å; F11-Y15 VanDerWaalsContact CE1-CG 3.41Å; F11-Y15 HydrophobicContact CE2-CD2 4.48Å; F11-Y15 AromaticContact CZ-CD2 3.4Å; F11-Y15 HydrophobicContact CZ-CD2 3.4Å; F11-Y15 VanDerWaalsContact CZ-CD2 3.4Å; F11-Y15 HydrophobicContact CZ-CE2 4.02Å; F11-Y15 AromaticContact CZ-CG 3.91Å; F11-Y15 HydrophobicContact CZ-CG 3.91Å; F11-Y15 WeakPolarHBondContact O-CB 3.41Å; F11-Y15 PolarHBondContact O-N 3.04Å; F11-S25 WeakPolarHBondContact CZ-OG 3.32Å; F11-I27 HydrophobicContact CD1-CD1 3.83Å; F11-I27 HydrophobicContact CD1-CG1 3.84Å; F11-I27 HydrophobicContact CE1-CD1 4.14Å; F11-I27 HydrophobicContact CE1-CG1 4.04Å; F11-K106 HydrophobicContact CD2-CD 4Å; F11-K106 HydrophobicContact CE2-CD 4.41Å; F11-N108 PolarHBondContact N-O 2.84Å; F11-E166 WeakPolarHBondContact CB-OE1 3.27Å; F11-V168 HydrophobicContact CB-CG2 3.73Å; F11-V168 HydrophobicContact CD1-CB 4.28Å; F11-V168 HydrophobicContact CD1-CG1 3.5Å; F11-V168 VanDerWaalsContact CD1-CG1 3.5Å; F11-V168 HydrophobicContact CD1-CG2 3.73Å; F11-V168 HydrophobicContact CD2-CG1 3.91Å; F11-V168 HydrophobicContact CD2-CG2 4.41Å; F11-V168 HydrophobicContact CE1-CG1 3.44Å; F11-V168 VanDerWaalsContact CE1-CG1 3.44Å; F11-V168 HydrophobicContact CE2-CG1 3.86Å; F11-V168 HydrophobicContact CG-CB 4.34Å; F11-V168 HydrophobicContact CG-CG1 3.77Å; F11-V168 HydrophobicContact CG-CG2 3.7Å; F11-V168 HydrophobicContact CZ-CG1 3.66Å
12S97.6Very high96.7Very high41 Ų4147 Ų4729%0.28723%0.232SC..Hα-helixtrans-61.7-23.1175.7480000115.5Q10 P16 E166Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 2.89Å; S12-P16 WeakPolarHBondContact O-CD 3.38Å; S12-P16 VanDerWaalsContact O-CG 3.31Å; S12-P16 WeakPolarHBondContact O-CG 3.33Å; S12-E166 WeakPolarHBondContact CB-OE2 3.37Å; S12-E166 PolarHBondContact N-OE1 3.27Å; S12-E166 PolarHBondContact OG-OE1 2.87Å; S12-E166 PolarHBondContact OG-OE2 3.2Å
13V97.6Very high97Very high42 Ų4242.5 Ų42.526%0.25521%0.213SC..Hα-helixtrans-80-49.6179177.60000110.7Q10 F11 L229Q10-V13 HydrophobicContact CB-CB 4.45Å; Q10-V13 HydrophobicContact CB-CG2 4Å; Q10-V13 WeakPolarHBondContact O-CB 3.43Å; Q10-V13 PolarHBondContact O-N 2.74Å; F11-V13 PolarHBondContact O-N 3.4Å; V13-L229 HydrophobicContact CG1-CD1 3.58Å
14W97.9Very high97.2Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-87.4-27.8-175.265.6-107.1000114C9 Q10 F11 I17 F18 T22 F228 L247 L250C9-W14 VanDerWaalsContact O-CD1 3.31Å; C9-W14 PolarHBondContact O-NE1 2.97Å; Q10-W14 PolarHBondContact O-N 2.85Å; F11-W14 AromaticContact CD2-CE2 3.86Å; F11-W14 AromaticContact CD2-CH2 3.64Å; F11-W14 HydrophobicContact CD2-CH2 3.64Å; F11-W14 AromaticContact CD2-CZ2 3.16Å; F11-W14 HydrophobicContact CD2-CZ2 3.16Å; F11-W14 AromaticContact CE2-CH2 3.28Å; F11-W14 HydrophobicContact CE2-CH2 3.28Å; F11-W14 AromaticContact CE2-CZ2 3.36Å; F11-W14 HydrophobicContact CE2-CZ2 3.36Å; F11-W14 HydrophobicContact CE2-CZ3 4.23Å; F11-W14 HydrophobicContact CG-CZ2 4.02Å; F11-W14 AromaticContact CZ-CH2 3.96Å; F11-W14 HydrophobicContact CZ-CH2 3.96Å; F11-W14 HydrophobicContact CZ-CZ2 4.33Å; F11-W14 PolarHBondContact O-N 2.91Å; W14-I17 WeakPolarHBondContact O-CB 3.46Å; W14-I17 PolarHBondContact O-N 2.96Å; W14-I17 VanDerWaalsContact O-N 3.09Å; W14-F18 HydrophobicContact CB-CD2 4.14Å; W14-F18 HydrophobicContact CB-CE2 4.26Å; W14-F18 HydrophobicContact CE3-CD2 4.28Å; W14-F18 VanDerWaalsContact O-CD2 3.29Å; W14-F18 WeakPolarHBondContact O-CD2 3.48Å; W14-F18 PolarHBondContact O-N 3.48Å; W14-F18 VanDerWaalsContact O-N 3.13Å; W14-T22 HydrophobicContact CZ3-CG2 4.19Å; W14-F228 HydrophobicContact CB-CE2 4.09Å; W14-L247 HydrophobicContact CE3-CD2 4.09Å; W14-L247 HydrophobicContact CZ3-CD2 4.06Å; W14-L250 HydrophobicContact CB-CD1 3.43Å; W14-L250 VanDerWaalsContact CB-CD1 3.43Å; W14-L250 HydrophobicContact CD2-CB 4.46Å; W14-L250 HydrophobicContact CD2-CD1 3.86Å; W14-L250 HydrophobicContact CE3-CD1 4.2Å; W14-L250 HydrophobicContact CG-CB 4.15Å; W14-L250 HydrophobicContact CG-CD1 3.54Å; W14-L250 HydrophobicContact CG-CG 4.43Å
15Y98.3Very high97.4Very high16 Ų1642.1 Ų42.16%0.06321%0.21CC..Hα-helixtrans-57.9-44.5-176.7179-104.3000113.4F11 I17 F18 K19 T22 S25 I27F11-Y15 HydrophobicContact CD1-CD2 4.47Å; F11-Y15 HydrophobicContact CD1-CG 4.15Å; F11-Y15 HydrophobicContact CE1-CD1 4.11Å; F11-Y15 AromaticContact CE1-CD2 3.42Å; F11-Y15 HydrophobicContact CE1-CD2 3.42Å; F11-Y15 VanDerWaalsContact CE1-CD2 3.42Å; F11-Y15 HydrophobicContact CE1-CE2 4.14Å; F11-Y15 AromaticContact CE1-CG 3.41Å; F11-Y15 HydrophobicContact CE1-CG 3.41Å; F11-Y15 VanDerWaalsContact CE1-CG 3.41Å; F11-Y15 HydrophobicContact CE2-CD2 4.48Å; F11-Y15 AromaticContact CZ-CD2 3.4Å; F11-Y15 HydrophobicContact CZ-CD2 3.4Å; F11-Y15 VanDerWaalsContact CZ-CD2 3.4Å; F11-Y15 HydrophobicContact CZ-CE2 4.02Å; F11-Y15 AromaticContact CZ-CG 3.91Å; F11-Y15 HydrophobicContact CZ-CG 3.91Å; F11-Y15 WeakPolarHBondContact O-CB 3.41Å; F11-Y15 PolarHBondContact O-N 3.04Å; Y15-I17 VanDerWaalsContact C-N 3.25Å; Y15-I17 PolarHBondContact O-N 3.08Å; Y15-F18 CarbonylContact O-C 3.53Å; Y15-F18 PolarHBondContact O-N 3.47Å; Y15-K19 HydrophobicContact CE1-CD 4.22Å; Y15-K19 HydrophobicContact CE1-CG 4.19Å; Y15-K19 VanDerWaalsContact O-CA 3.3Å; Y15-K19 WeakPolarHBondContact O-CA 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.43Å; Y15-K19 PolarHBondContact O-N 2.6Å; Y15-T22 HydrophobicContact CD2-CG2 3.69Å; Y15-T22 HydrophobicContact CE2-CG2 3.57Å; Y15-S25 PolarHBondContact OH-N 2.86Å; Y15-S25 PolarHBondContact OH-O 3.37Å; Y15-I27 HydrophobicContact CD1-CD1 4.06Å
16P97.9Very high97.6Very high86 Ų8643.2 Ų43.256%0.55822%0.217SC*.Hα-helixtrans-59.8-34.5176.3-24.835.6000113.5S12S12-P16 WeakPolarHBondContact O-CD 3.38Å; S12-P16 VanDerWaalsContact O-CG 3.31Å; S12-P16 WeakPolarHBondContact O-CG 3.33Å
17I97.9Very high97.7Very high68 Ų6845.6 Ų45.635%0.34923%0.229SC..Hα-helixtrans-68.9-44.3-179.8-52.6175.2000110W14 Y15 R227W14-I17 WeakPolarHBondContact O-CB 3.46Å; W14-I17 PolarHBondContact O-N 2.96Å; W14-I17 VanDerWaalsContact O-N 3.09Å; Y15-I17 VanDerWaalsContact C-N 3.25Å; Y15-I17 PolarHBondContact O-N 3.08Å; I17-R227 HydrophobicContact CG2-CB 4.45Å
18F97.9Very high97.8Very high1 Ų144.9 Ų44.90%0.00422%0.224CC..Hα-helixtrans-107.513.7-171.6-54.9-64.7000114.6W14 Y15 K20 H21 T22 H223 V224 R227 F228 L247 L250W14-F18 HydrophobicContact CB-CD2 4.14Å; W14-F18 HydrophobicContact CB-CE2 4.26Å; W14-F18 HydrophobicContact CE3-CD2 4.28Å; W14-F18 VanDerWaalsContact O-CD2 3.29Å; W14-F18 WeakPolarHBondContact O-CD2 3.48Å; W14-F18 PolarHBondContact O-N 3.48Å; W14-F18 VanDerWaalsContact O-N 3.13Å; Y15-F18 CarbonylContact O-C 3.53Å; Y15-F18 PolarHBondContact O-N 3.47Å; F18-K20 PolarHBondContact O-N 2.96Å; F18-H21 PolarHBondContact O-N 3Å; F18-T22 PolarHBondContact O-N 3.45Å; F18-H223 VanDerWaalsContact CE1-O 3.31Å; F18-H223 WeakPolarHBondContact CE1-O 3.39Å; F18-V224 HydrophobicContact CE1-CG2 4.49Å; F18-V224 HydrophobicContact CZ-CG1 4.42Å; F18-R227 HydrophobicContact CE1-CB 4.11Å; F18-R227 HydrophobicContact CZ-CB 4.34Å; F18-F228 HydrophobicContact CE2-CD2 4.06Å; F18-F228 HydrophobicContact CZ-CB 4.17Å; F18-L247 HydrophobicContact CB-CD2 3.53Å; F18-L247 HydrophobicContact CD1-CD2 4.42Å; F18-L247 HydrophobicContact CD2-CD2 3.67Å; F18-L247 HydrophobicContact CG-CD2 3.61Å; F18-L250 HydrophobicContact CD2-CD1 3.77Å; F18-L250 HydrophobicContact CE2-CD1 3.56Å
19K97.2Very high97.8Very high130 Ų13048.4 Ų48.457%0.56525%0.25SC*.THydrogen-bonded Turntrans-48.4-31.2-174.5-173.8169.4-176.1173.70115.3Y15Y15-K19 HydrophobicContact CE1-CD 4.22Å; Y15-K19 HydrophobicContact CE1-CG 4.19Å; Y15-K19 VanDerWaalsContact O-CA 3.3Å; Y15-K19 WeakPolarHBondContact O-CA 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.43Å; Y15-K19 PolarHBondContact O-N 2.6Å
20K97.3Very high97.7Very high178 Ų17849.1 Ų49.177%0.77425%0.253SS*.THydrogen-bonded Turntrans-80.7-16.5179.9-65.6-177.2-179.6177.80114.1F18F18-K20 PolarHBondContact O-N 2.96Å
21H97.8Very high97.6Very high42 Ų4250.5 Ų50.519%0.19426%0.263CS..THydrogen-bonded Turntrans-116.33-170.3-59.5-68.7000112.9F18 F219 H223 W246 L247F18-H21 PolarHBondContact O-N 3Å; H21-F219 HydrophobicContact CB-CE2 3.88Å; H21-F219 HydrophobicContact CB-CZ 3.92Å; H21-H223 AromaticContact CE1-CD2 3.56Å; H21-H223 AromaticContact CE1-CE1 3.48Å; H21-H223 PolarHBondContact CE1-CE1 3.13Å; H21-H223 VanDerWaalsContact CE1-CE1 3.48Å; H21-H223 AromaticContact CE1-CG 3.49Å; H21-H223 VanDerWaalsContact CE1-CG 3.49Å; H21-H223 AromaticContact CE1-ND1 3.45Å; H21-H223 PolarHBondContact CE1-ND1 3.32Å; H21-H223 AromaticContact CE1-NE2 3.51Å; H21-H223 AromaticContact ND1-CD2 3.7Å; H21-H223 AromaticContact ND1-CG 3.89Å; H21-H223 AromaticContact ND1-NE2 3.96Å; H21-H223 AromaticContact NE2-CG 3.73Å; H21-H223 AromaticContact NE2-ND1 3.6Å; H21-W246 CarbonylContact O-C 3.46Å; H21-W246 WeakPolarHBondContact O-CA 3.44Å; H21-L247 PolarHBondContact O-N 3.18Å
22T98Very high97.5Very high6 Ų656.1 Ų56.14%0.03729%0.29CS..BIsolated β-bridgetrans-124.5172.8178.1-169.90000110.9W14 Y15 F18 R170 L247W14-T22 HydrophobicContact CZ3-CG2 4.19Å; Y15-T22 HydrophobicContact CD2-CG2 3.69Å; Y15-T22 HydrophobicContact CE2-CG2 3.57Å; F18-T22 PolarHBondContact O-N 3.45Å; T22-R170 PolarHBondContact OG1-NH2 2.96Å; T22-L247 WeakPolarHBondContact CA-O 3.45Å; T22-L247 WeakPolarHBondContact CB-O 3.41Å; T22-L247 PolarHBondContact OG1-O 3.16Å
23I97.3Very high97.2Very high26 Ų2658.5 Ų58.513%0.13330%0.299CS..  trans-64.8140.5175.3-61.3171.6000109.4S25 K171 A173 L175 I248I23-S25 PolarHBondContact O-N 2.98Å; I23-S25 PolarHBondContact O-OG 2.88Å; I23-K171 HydrophobicContact CG2-CB 4.1Å; I23-K171 VanDerWaalsContact CG2-O 3.31Å; I23-K171 WeakPolarHBondContact CG2-O 3.49Å; I23-A173 HydrophobicContact CD1-CB 4.32Å; I23-L175 HydrophobicContact CD1-CD1 4.32Å; I23-I248 HydrophobicContact CD1-CD1 4.06Å
24K98Very high97Very high117 Ų11756.5 Ų56.551%0.50929%0.287SS..  trans-59.7129.6176.7-173.9-173.9177.3-163.80109.7A98 L99 K171K24-A98 PolarHBondContact NZ-O 3.47Å; K24-L99 HydrophobicContact CD-CD2 4.12Å; K24-L99 HydrophobicContact CG-CD2 4Å; K24-K171 WeakPolarHBondContact O-CB 3.26Å; K24-K171 PolarHBondContact O-N 2.93Å
25S98.2Very high96.8Very high5 Ų557 Ų574%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-139.1157.3-178.3-53.80000111.1F11 Y15 I23 L169 R170F11-S25 WeakPolarHBondContact CZ-OG 3.32Å; Y15-S25 PolarHBondContact OH-N 2.86Å; Y15-S25 PolarHBondContact OH-O 3.37Å; I23-S25 PolarHBondContact O-N 2.98Å; I23-S25 PolarHBondContact O-OG 2.88Å; S25-L169 CarbonylContact C-O 3.57Å; S25-L169 WeakPolarHBondContact CA-O 3.32Å; S25-R170 WeakPolarHBondContact OG-CG 3.16Å
26L98.4Very high96.6Very high58 Ų5860.3 Ų60.330%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-120.2144.1168.9-64176.1000108.5A95 A98 L99 L169L26-A95 HydrophobicContact CB-CB 4.48Å; L26-A95 HydrophobicContact CD1-CB 3.73Å; L26-A98 HydrophobicContact CD1-CB 4.04Å; L26-L99 HydrophobicContact CB-CD1 4.29Å; L26-L99 HydrophobicContact CD1-CD1 4.08Å; L26-L99 HydrophobicContact CD1-CD2 4.41Å; L26-L99 HydrophobicContact CD1-CG 3.94Å; L26-L99 HydrophobicContact CG-CD1 4.09Å; L26-L99 HydrophobicContact CG-CD2 4.14Å; L26-L99 HydrophobicContact CG-CG 4.13Å; L26-L169 PolarHBondContact N-O 3.5Å; L26-L169 PolarHBondContact O-N 3.38Å
27I98.4Very high96.2Very high57 Ų5757.4 Ų57.429%0.29229%0.286SS..EExtended strand (participates in β ladder)trans-117.9122.6-177.5-56.2163.6000106.2F11 Y15 E166F11-I27 HydrophobicContact CD1-CD1 3.83Å; F11-I27 HydrophobicContact CD1-CG1 3.84Å; F11-I27 HydrophobicContact CE1-CD1 4.14Å; F11-I27 HydrophobicContact CE1-CG1 4.04Å; Y15-I27 HydrophobicContact CD1-CD1 4.06Å; I27-E166 HydrophobicContact CG2-CB 3.76Å; I27-E166 HydrophobicContact CG2-CG 4.05Å; I27-E166 WeakPolarHBondContact CG2-OE2 3.23Å
28L97.9Very high95.9Very high20 Ų2054.7 Ų54.711%0.10527%0.273CS..EExtended strand (participates in β ladder)trans-115.7131.5179.9-55.9178.4000108.4L30 T91 V92 A95 E166 L167 L169L28-L30 PolarHBondContact O-N 3.36Å; L28-T91 HydrophobicContact CD1-CG2 4.27Å; L28-T91 HydrophobicContact CD2-CG2 3.91Å; L28-V92 HydrophobicContact CD1-CB 4.49Å; L28-V92 HydrophobicContact CD1-CG2 3.76Å; L28-A95 HydrophobicContact CD1-CB 4Å; L28-A95 HydrophobicContact CD2-CB 4.36Å; L28-E166 CarbonylContact O-C 3.58Å; L28-E166 WeakPolarHBondContact O-CA 3.44Å; L28-L167 HydrophobicContact CB-CB 4.39Å; L28-L167 HydrophobicContact CD1-CD2 4.45Å; L28-L167 PolarHBondContact N-O 3.37Å; L28-L167 PolarHBondContact O-N 3.41Å; L28-L169 HydrophobicContact CD1-CD1 3.96Å
29P97.3Very high95.6Very high107 Ų10758 Ų5870%0.69529%0.29SS*.EExtended strand (participates in β ladder)trans-62.8135.8173.127.9-33.2000109.2P31P29-P31 WeakPolarHBondContact O-CD 3.42Å
30L95.9Very high95.3Very high15 Ų1556.1 Ų56.18%0.07929%0.286CS..  trans-88.3115.6179.8-165.962.6000109.5L28 V34 I35 L38 F88 L107 Y165 L167L28-L30 PolarHBondContact O-N 3.36Å; L30-V34 HydrophobicContact CD1-CB 4.11Å; L30-V34 HydrophobicContact CD1-CG1 3.59Å; L30-V34 HydrophobicContact CG-CB 4.48Å; L30-V34 HydrophobicContact CG-CG1 4.31Å; L30-I35 HydrophobicContact CB-CG1 4.42Å; L30-I35 HydrophobicContact CD2-CD1 4.49Å; L30-I35 HydrophobicContact CD2-CG1 3.66Å; L30-I35 HydrophobicContact CG-CG1 3.82Å; L30-L38 HydrophobicContact CD2-CD1 4.15Å; L30-F88 HydrophobicContact CD1-CE1 4.17Å; L30-F88 HydrophobicContact CD1-CE2 4.4Å; L30-F88 HydrophobicContact CD1-CZ 3.66Å; L30-L107 HydrophobicContact CD2-CD2 3.9Å; L30-Y165 WeakPolarHBondContact CB-O 3.37Å; L30-Y165 PolarHBondContact N-O 3.4Å; L30-L167 HydrophobicContact CD1-CB 4.29Å
31P95.7Very high94.2Very high45 Ų4555.6 Ų55.629%0.29229%0.292SS..  trans-64.2147.4179.6-23.936.3000112.4P29 N33 V34 I35 F88P29-P31 WeakPolarHBondContact O-CD 3.42Å; P31-N33 VanDerWaalsContact C-N 3.32Å; P31-N33 WeakPolarHBondContact CB-OD1 3.36Å; P31-N33 PolarHBondContact O-N 2.81Å; P31-V34 HydrophobicContact CB-CG2 4.09Å; P31-V34 HydrophobicContact CG-CG2 4.13Å; P31-V34 WeakPolarHBondContact O-CA 3.47Å; P31-V34 WeakPolarHBondContact O-CB 3.31Å; P31-V34 PolarHBondContact O-N 2.85Å; P31-I35 PolarHBondContact O-N 2.96Å; P31-I35 VanDerWaalsContact O-N 3.08Å; P31-F88 HydrophobicContact CG-CB 4.48Å; P31-F88 HydrophobicContact CG-CD2 3.75Å; P31-F88 HydrophobicContact CG-CE2 4.22Å; P31-F88 HydrophobicContact CG-CG 4.2Å
32Q94.1Very high92.8Very high118 Ų11855.1 Ų55.155%0.55130%0.298SS*.Hα-helixtrans-58.5-41.6-177.8-172.460.549.300112.9V34 I35 D36Q32-V34 PolarHBondContact O-N 3.31Å; Q32-I35 WeakPolarHBondContact O-CB 3.27Å; Q32-I35 PolarHBondContact O-N 3.33Å; Q32-D36 PolarHBondContact NE2-OD1 3.1Å; Q32-D36 PolarHBondContact O-N 2.96Å
33N92.4Very high91.3Very high91 Ų9160.9 Ų60.949%0.48733%0.334SS..Hα-helixtrans-63.2-27176.661-36.3000113.4P31 Y37 F85P31-N33 VanDerWaalsContact C-N 3.32Å; P31-N33 WeakPolarHBondContact CB-OD1 3.36Å; P31-N33 PolarHBondContact O-N 2.81Å; N33-Y37 WeakPolarHBondContact O-CB 3.47Å; N33-Y37 PolarHBondContact O-N 3.38Å; N33-F85 HydrophobicContact CB-CE1 4.17Å; N33-F85 VanDerWaalsContact ND2-CD1 3.34Å; N33-F85 WeakPolarHBondContact ND2-CD1 3.42Å; N33-F85 WeakPolarHBondContact ND2-CE1 3.41Å
34V93.2Very high89.8Confident0 Ų061.7 Ų61.70%034%0.338CS..Hα-helixtrans-75.6-39.9173178.90000110.2L30 P31 Q32 D36 Y37 L38 F85 F88 F133L30-V34 HydrophobicContact CD1-CB 4.11Å; L30-V34 HydrophobicContact CD1-CG1 3.59Å; L30-V34 HydrophobicContact CG-CB 4.48Å; L30-V34 HydrophobicContact CG-CG1 4.31Å; P31-V34 HydrophobicContact CB-CG2 4.09Å; P31-V34 HydrophobicContact CG-CG2 4.13Å; P31-V34 WeakPolarHBondContact O-CA 3.47Å; P31-V34 WeakPolarHBondContact O-CB 3.31Å; P31-V34 PolarHBondContact O-N 2.85Å; Q32-V34 PolarHBondContact O-N 3.31Å; V34-D36 VanDerWaalsContact C-N 3.35Å; V34-Y37 PolarHBondContact O-N 3Å; V34-L38 HydrophobicContact CG1-CD1 4.44Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.5Å; V34-L38 PolarHBondContact O-N 3.03Å; V34-F85 HydrophobicContact CB-CE1 4.49Å; V34-F85 HydrophobicContact CG2-CD1 3.54Å; V34-F85 HydrophobicContact CG2-CE1 3.77Å; V34-F85 HydrophobicContact CG2-CG 3.99Å; V34-F85 HydrophobicContact CG2-CZ 4.38Å; V34-F88 HydrophobicContact CG1-CD1 4.47Å; V34-F88 HydrophobicContact CG1-CE1 4.09Å; V34-F88 HydrophobicContact CG2-CD1 3.84Å; V34-F88 HydrophobicContact CG2-CE1 4.21Å; V34-F88 HydrophobicContact CG2-CG 4.22Å; V34-F133 HydrophobicContact CG1-CE1 3.55Å; V34-F133 HydrophobicContact CG1-CZ 3.75Å
35I94.2Very high88Confident10 Ų1058.2 Ų58.25%0.05133%0.326CS..Hα-helixtrans-59.4-48.4174.1-62.1167.2000110.2L30 P31 Q32 Y37 L38 L39 L146 Y165L30-I35 HydrophobicContact CB-CG1 4.42Å; L30-I35 HydrophobicContact CD2-CD1 4.49Å; L30-I35 HydrophobicContact CD2-CG1 3.66Å; L30-I35 HydrophobicContact CG-CG1 3.82Å; P31-I35 PolarHBondContact O-N 2.96Å; P31-I35 VanDerWaalsContact O-N 3.08Å; Q32-I35 WeakPolarHBondContact O-CB 3.27Å; Q32-I35 PolarHBondContact O-N 3.33Å; I35-Y37 PolarHBondContact O-N 3.03Å; I35-L38 PolarHBondContact O-N 3.22Å; I35-L38 VanDerWaalsContact O-N 3.1Å; I35-L39 HydrophobicContact CG2-CD1 3.91Å; I35-L39 HydrophobicContact CG2-CG 4.45Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 2.64Å; I35-L146 HydrophobicContact CG2-CD2 4.31Å; I35-Y165 HydrophobicContact CD1-CD2 3.77Å; I35-Y165 HydrophobicContact CD1-CG 4.32Å
36D92.8Very high86.1Confident86 Ų8661.7 Ų61.746%0.4635%0.347SS..Hα-helixtrans-59.3-39.1179.3-58.9-22.9000110.8Q32 V34 L39 D40Q32-D36 PolarHBondContact NE2-OD1 3.1Å; Q32-D36 PolarHBondContact O-N 2.96Å; V34-D36 VanDerWaalsContact C-N 3.35Å; D36-L39 PolarHBondContact O-N 2.83Å; D36-D40 WeakPolarHBondContact O-CB 3.44Å; D36-D40 PolarHBondContact O-N 2.87Å
37Y90.9Very high83.9Confident25 Ų2562.2 Ų62.210%0.09836%0.356CS..Hα-helixtrans-69-37.5174.7170-110.3000113.8N33 V34 I35 L39 D40 P83 F85 F133 K137N33-Y37 WeakPolarHBondContact O-CB 3.47Å; N33-Y37 PolarHBondContact O-N 3.38Å; V34-Y37 PolarHBondContact O-N 3Å; I35-Y37 PolarHBondContact O-N 3.03Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; Y37-D40 PolarHBondContact O-N 2.96Å; Y37-P83 HydrophobicContact CD2-CG 3.27Å; Y37-P83 HydrophobicContact CE2-CG 3.38Å; Y37-P83 HydrophobicContact CG-CG 3.94Å; Y37-F85 AromaticContact CD1-CE2 3.88Å; Y37-F85 HydrophobicContact CD1-CE2 3.88Å; Y37-F85 HydrophobicContact CD1-CZ 4.13Å; Y37-F85 HydrophobicContact CE1-CE2 4.43Å; Y37-F85 HydrophobicContact CG-CE2 4.05Å; Y37-F85 AromaticContact CG-CZ 3.91Å; Y37-F85 HydrophobicContact CG-CZ 3.91Å; Y37-F133 HydrophobicContact CD1-CD2 4.35Å; Y37-F133 HydrophobicContact CD1-CE2 4.21Å; Y37-F133 HydrophobicContact CD1-CZ 4.3Å; Y37-F133 HydrophobicContact CE1-CB 4.31Å; Y37-F133 HydrophobicContact CE1-CD1 4.4Å; Y37-F133 AromaticContact CE1-CD2 3.67Å; Y37-F133 HydrophobicContact CE1-CD2 3.67Å; Y37-F133 AromaticContact CE1-CE2 3.94Å; Y37-F133 HydrophobicContact CE1-CE2 3.94Å; Y37-F133 AromaticContact CE1-CG 3.91Å; Y37-F133 HydrophobicContact CE1-CG 3.91Å; Y37-F133 HydrophobicContact CE1-CZ 4.41Å; Y37-K137 HydrophobicContact CD1-CD 4.47Å; Y37-K137 HydrophobicContact CE1-CD 3.8Å; Y37-K137 HydrophobicContact CE2-CD 4.28Å; Y37-K137 PolarHBondContact O-NZ 3.33Å
38L91.8Very high81.2Confident12 Ų1262.2 Ų62.26%0.06337%0.37CS..Hα-helixtrans-64.6-38.4175.9-71177.3000111.1L30 V34 I35 F133 F136 K137 L146L30-L38 HydrophobicContact CD2-CD1 4.15Å; V34-L38 HydrophobicContact CG1-CD1 4.44Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.5Å; V34-L38 PolarHBondContact O-N 3.03Å; I35-L38 PolarHBondContact O-N 3.22Å; I35-L38 VanDerWaalsContact O-N 3.1Å; L38-F133 HydrophobicContact CD2-CD1 3.95Å; L38-F133 HydrophobicContact CD2-CE1 4.37Å; L38-F136 HydrophobicContact CD1-CD2 4.09Å; L38-F136 HydrophobicContact CD2-CB 3.79Å; L38-K137 HydrophobicContact CD2-CG 3.79Å; L38-K137 PolarHBondContact O-NZ 3.37Å; L38-L146 HydrophobicContact CB-CD1 4.01Å; L38-L146 HydrophobicContact CD1-CD1 4.22Å
39L91.7Very high78.5Confident69 Ų6966.5 Ų66.536%0.36140%0.402SS..Hα-helixtrans-81.3-11.6178.5-66.6176.3000114.5I35 D36 Y37 D41 L146 T147I35-L39 HydrophobicContact CG2-CD1 3.91Å; I35-L39 HydrophobicContact CG2-CG 4.45Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; I35-L39 PolarHBondContact O-N 2.64Å; D36-L39 PolarHBondContact O-N 2.83Å; Y37-L39 VanDerWaalsContact C-N 3.29Å; L39-D41 PolarHBondContact O-N 3.4Å; L39-L146 HydrophobicContact CD2-CB 3.89Å; L39-L146 HydrophobicContact CD2-CD1 4.03Å; L39-L146 HydrophobicContact CG-CD1 4.23Å; L39-T147 HydrophobicContact CD2-CG2 3.56Å
40D89.6Confident75.7Confident91 Ų9168.8 Ų68.849%0.48741%0.408SS..  trans-69.5127.5176.5-177.451.1000110.7D36 Y37 G42 K137D36-D40 WeakPolarHBondContact O-CB 3.44Å; D36-D40 PolarHBondContact O-N 2.87Å; Y37-D40 PolarHBondContact O-N 2.96Å; D40-G42 PolarHBondContact O-N 2.64Å; D40-G42 VanDerWaalsContact O-N 3.13Å; D40-G42 WeakPolarHBondContact OD2-CA 3.35Å; D40-G42 PolarHBondContact OD2-N 2.88Å; D40-K137 PolarHBondContact O-NZ 3.49Å
41D73.9Confident72.9Confident168 Ų16876.5 Ų76.590%0.89844%0.443SS*.  trans-720.3177.2-68.2-32.2000112.7L39L39-D41 PolarHBondContact O-N 3.4Å
42G69.3Low70Confident32 Ų3281 Ų8133%0.3347%0.465SS..SBendtrans-60.8149.3178.600000113.5D40 L44D40-G42 PolarHBondContact O-N 2.64Å; D40-G42 VanDerWaalsContact O-N 3.13Å; D40-G42 WeakPolarHBondContact OD2-CA 3.35Å; D40-G42 PolarHBondContact OD2-N 2.88Å; G42-L44 PolarHBondContact O-N 2.91Å
43T65.5Low67.1Low127 Ų12780.7 Ų80.778%0.77948%0.476SS*.  trans-54.3130.2177.3-49.90000110.4V45T43-V45 PolarHBondContact O-N 3.3Å
44L65.8Low64.2Low43 Ų4383.3 Ų83.323%0.22549%0.485CS..  trans-67102.7177-159.1151.7000109.4G42 V46 L134 K137G42-L44 PolarHBondContact O-N 2.91Å; L44-V46 HydrophobicContact CD2-CB 4.36Å; L44-V46 HydrophobicContact CD2-CG2 3.23Å; L44-V46 PolarHBondContact O-N 2.91Å; L44-V46 VanDerWaalsContact O-N 3.16Å; L44-L134 HydrophobicContact CD1-CD1 4.16Å; L44-L134 HydrophobicContact CD2-CD1 4Å; L44-K137 HydrophobicContact CD1-CB 3.5Å; L44-K137 HydrophobicContact CD1-CD 3.71Å; L44-K137 HydrophobicContact CD1-CG 4.05Å; L44-K137 HydrophobicContact CG-CD 4Å
45V61.7Low61.3Low43 Ų4388.3 Ų88.326%0.26152%0.518SS..  trans-8393.4174-172.60000107.8T43 S47 A80 A82T43-V45 PolarHBondContact O-N 3.3Å; V45-S47 PolarHBondContact O-N 2.81Å; V45-A80 VanDerWaalsContact CG1-O 3.3Å; V45-A80 WeakPolarHBondContact CG1-O 3.39Å; V45-A80 HydrophobicContact CG2-CB 3.63Å; V45-A80 WeakPolarHBondContact CG2-O 3.11Å; V45-A82 HydrophobicContact CB-CB 3.78Å; V45-A82 HydrophobicContact CG1-CB 3.8Å; V45-A82 WeakPolarHBondContact O-CB 3.46Å
46V58.2Low58.3Low79 Ų7995.4 Ų95.448%0.47955%0.554SS.*  trans-70.9110.1166.2-173.80000106.1L44 G48 L134L44-V46 HydrophobicContact CD2-CB 4.36Å; L44-V46 HydrophobicContact CD2-CG2 3.23Å; L44-V46 PolarHBondContact O-N 2.91Å; L44-V46 VanDerWaalsContact O-N 3.16Å; V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 3.33Å; V46-L134 HydrophobicContact CG2-CD1 4.28Å
47S51.3Low55.5Low68 Ų6899.5 Ų99.548%0.47657%0.57SS.*  trans-57.6101.6165.6-57.50000107.2V45 S49V45-S47 PolarHBondContact O-N 2.81Å; S47-S49 PolarHBondContact O-N 2.93Å
48G43Very low52.7Low58 Ų58104.3 Ų104.360%0.59860%0.603SS**  trans-52.2117.8170.500000106.8V46 D50V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 3.33Å; G48-D50 PolarHBondContact O-N 3.47Å
49S40.1Very low49.9Very low110 Ų110111.2 Ų111.277%0.76964%0.64SS**  trans-59.9114.8175.7-660000107.9S47 H51S47-S49 PolarHBondContact O-N 2.93Å; S49-H51 PolarHBondContact O-N 2.82Å
50D38.6Very low47.4Very low155 Ų155115.3 Ų115.383%0.82966%0.662SS**SBendtrans-67.450.8176.2-80.5-40000112.7G48G48-D50 PolarHBondContact O-N 3.47Å
51H38.3Very low44.7Very low177 Ų177116.9 Ų116.982%0.81968%0.68SS**  trans-137.550.3-178.7-77.9-18.9000112.5S49S49-H51 PolarHBondContact O-N 2.82Å
52N33.9Very low43.1Very low138 Ų138118 Ų11874%0.73868%0.68SS**  trans-176.363137.5-124.2-3.6000113.5Q54N52-Q54 PolarHBondContact O-N 2.81Å
53S33.6Very low41.5Very low113 Ų113121.4 Ų121.479%0.7970%0.698SS**  trans-8075.4160.345.70000109.6
54Q30.8Very low40.1Very low145 Ų145122.5 Ų122.568%0.67870%0.7SS**  trans-76.5122.6158.5-71.6-65.5-35.100107.2N52 I56N52-Q54 PolarHBondContact O-N 2.81Å; Q54-I56 PolarHBondContact O-N 3.21Å; Q54-I56 VanDerWaalsContact O-N 3.08Å
55P32.2Very low39Very low105 Ų105125.4 Ų125.468%0.68273%0.73SS**  trans-68.5112.7178.229.1-32.6000108Q57P55-Q57 PolarHBondContact O-N 3.16Å
56I32.1Very low38.1Very low160 Ų160131.7 Ų131.782%0.82176%0.756SS**  trans-64.2104.3167.5-61.4173.9000106Q54 T58Q54-I56 PolarHBondContact O-N 3.21Å; Q54-I56 VanDerWaalsContact O-N 3.08Å; I56-T58 PolarHBondContact O-N 2.79Å
57Q33.3Very low37.1Very low171 Ų171136.8 Ų136.880%0.79978%0.775SS**  trans-63.8117.2170.5-73.4-177.1-4.700108.2P55 N59P55-Q57 PolarHBondContact O-N 3.16Å; Q57-N59 PolarHBondContact O-N 2.63Å
58T32.6Very low36.5Very low126 Ų126140.9 Ų140.977%0.77379%0.791SS**  trans-63114.5172.840.50000110I56I56-T58 PolarHBondContact O-N 2.79Å
59N31.8Very low36.2Very low157 Ų157144.5 Ų144.584%0.8480%0.795SS**  trans-111.6107.8158.2-89.3-21.8000107.7Q57 S61Q57-N59 PolarHBondContact O-N 2.63Å; N59-S61 PolarHBondContact O-N 3.37Å
60N40.3Very low35.9Very low156 Ų156147.8 Ų147.883%0.83480%0.799SS**  trans-51.3128.3172.2-76.8-12.5000111.5
61S32.4Very low36Very low123 Ų123151.3 Ų151.386%0.8680%0.801SS**  trans-156.1129.1146.5-72.20000108.4N59N59-S61 PolarHBondContact O-N 3.37Å
62E40.4Very low35.8Very low192 Ų192148 Ų14890%0.89780%0.798SS**  trans-67137-168.6-58.9170151.100113.3
63S35.3Very low36.1Very low103 Ų103147.4 Ų147.472%0.7280%0.795SS**  154.8136.5122.868.80000112.3
64D35.8Very low36.2Very low151 Ų151148.1 Ų148.181%0.80779%0.789SS**  trans101.697.5169.9-60.4-22.1000114.9E66D64-E66 PolarHBondContact O-N 3.26Å
65A43.3Very low36.8Very low103 Ų103150.6 Ų150.685%0.85180%0.801SS**  trans-74.294.2172.600000108.9
66E43.1Very low37.2Very low176 Ų176151.2 Ų151.282%0.82280%0.803SS**  trans-84118.8151.6-64.2-163.4179.900106.5D64 D68D64-E66 PolarHBondContact O-N 3.26Å; E66-D68 VanDerWaalsContact C-N 3.29Å; E66-D68 PolarHBondContact O-N 3.4Å
67E37.4Very low37.7Very low186 Ų186147.9 Ų147.987%0.86979%0.79SS**  trans-6494.4171.4-73.9-179.9162.500108I69E67-I69 PolarHBondContact O-N 3.06Å
68D38.4Very low38.1Very low154 Ų154144 Ų14482%0.82479%0.788SS**  trans-55.6107.5161.4-87-33.3000106.9E66 Q70E66-D68 VanDerWaalsContact C-N 3.29Å; E66-D68 PolarHBondContact O-N 3.4Å; D68-Q70 PolarHBondContact O-N 3.45Å
69I36.7Very low38.7Very low133 Ų133145.8 Ų145.868%0.68279%0.79SS**  trans-64.289.4171.1-57.6171.2000106.3E67 W71E67-I69 PolarHBondContact O-N 3.06Å; I69-W71 VanDerWaalsContact C-N 3.3Å; I69-W71 PolarHBondContact O-N 2.84Å
70Q33Very low39.8Very low180 Ų180141.1 Ų141.184%0.84177%0.774SS**  trans-68.593.1169.5-175.1177.3-11.900106.6D68 S72D68-Q70 PolarHBondContact O-N 3.45Å; Q70-S72 PolarHBondContact O-N 3.5Å
71W40.8Very low40.7Very low228 Ų228139.7 Ų139.786%0.86477%0.771SS**  trans-49.5112.9167.7-6796.5000107.4I69 D73I69-W71 VanDerWaalsContact C-N 3.3Å; I69-W71 PolarHBondContact O-N 2.84Å; W71-D73 PolarHBondContact O-N 2.83Å
72S34Very low42.2Very low109 Ų109134.8 Ų134.876%0.76274%0.738SS**  trans-60.7111.6176.758.80000107.2Q70 D74Q70-S72 PolarHBondContact O-N 3.5Å; S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 PolarHBondContact O-N 2.85Å
73D39.9Very low43.8Very low125 Ų125128.7 Ų128.767%0.66872%0.715SS**  trans-64.295.6172.1-158.99.9000106.4W71 E75 T77W71-D73 PolarHBondContact O-N 2.83Å; D73-E75 PolarHBondContact O-N 2.9Å; D73-T77 PolarHBondContact OD1-OG1 2.78Å
74D37.1Very low46Very low127 Ų127131.6 Ų131.668%0.67972%0.717SS**  trans-60.4126.2172.5-165.519.5000106.9S72 T76 T77S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 PolarHBondContact O-N 2.85Å; D74-T76 PolarHBondContact O-N 2.84Å; D74-T77 PolarHBondContact O-N 3.19Å
75E43.5Very low48.5Very low197 Ų197125.2 Ų125.292%0.92168%0.682SS**THydrogen-bonded Turntrans-71.142.2-165.1-118.5-171.2178.200113.1D73D73-E75 PolarHBondContact O-N 2.9Å
76T40.1Very low50.8Low118 Ų118124.6 Ų124.672%0.72467%0.67SS**THydrogen-bonded Turntrans-136.75177.7-13.90000113.9D74 A78D74-T76 PolarHBondContact O-N 2.84Å; T76-A78 PolarHBondContact O-N 3.17Å
77T42.2Very low53.1Low91 Ų91124.3 Ų124.356%0.55867%0.668SS**  trans-68.682.1169.540.40000109.6D73 D74 I79D73-T77 PolarHBondContact OD1-OG1 2.78Å; D74-T77 PolarHBondContact O-N 3.19Å; T77-I79 PolarHBondContact O-N 2.82Å
78A40.8Very low55.8Low90 Ų90116.2 Ų116.274%0.74463%0.63SS**  trans-48.3114.9161.100000106.6T76 A80T76-A78 PolarHBondContact O-N 3.17Å; A78-A80 VanDerWaalsContact C-N 3.25Å; A78-A80 PolarHBondContact O-N 3.05Å
79I47Very low58.5Low162 Ų162111.6 Ų111.683%0.83161%0.607SS**  trans-54.897.6177.4-58.9167.3000105.7T77 T81T77-I79 PolarHBondContact O-N 2.82Å; I79-T81 PolarHBondContact O-N 2.86Å
80A55.1Low61.3Low60 Ų60108 Ų10850%0.49659%0.594SS.*  trans-67.6104.4-177.500000105.8V45 A78 A82V45-A80 VanDerWaalsContact CG1-O 3.3Å; V45-A80 WeakPolarHBondContact CG1-O 3.39Å; V45-A80 HydrophobicContact CG2-CB 3.63Å; V45-A80 WeakPolarHBondContact CG2-O 3.11Å; A78-A80 VanDerWaalsContact C-N 3.25Å; A78-A80 PolarHBondContact O-N 3.05Å; A80-A82 PolarHBondContact O-N 2.83Å
81T58.1Low64.4Low126 Ų126102.1 Ų102.177%0.77357%0.571SS**PPolyproline II helixtrans-69.6119.8170.330.20000107.8I79I79-T81 PolarHBondContact O-N 2.86Å
82A64.9Low67.1Low19 Ų1991.2 Ų91.216%0.15753%0.53CS..PPolyproline II helixtrans-51.3131.5171.800000109.4V45 A80 E84V45-A82 HydrophobicContact CB-CB 3.78Å; V45-A82 HydrophobicContact CG1-CB 3.8Å; V45-A82 WeakPolarHBondContact O-CB 3.46Å; A80-A82 PolarHBondContact O-N 2.83Å; A82-E84 PolarHBondContact O-N 3.43Å
83P73.4Confident70.1Confident64 Ų6490.1 Ų90.142%0.41651%0.514SS..PPolyproline II helixtrans-62128.6173.123.2-29.2000109.3Y37 F85Y37-P83 HydrophobicContact CD2-CG 3.27Å; Y37-P83 HydrophobicContact CE2-CG 3.38Å; Y37-P83 HydrophobicContact CG-CG 3.94Å; P83-F85 HydrophobicContact CB-CE2 3.99Å; P83-F85 HydrophobicContact CB-CZ 3.96Å; P83-F85 HydrophobicContact CG-CE2 3.99Å; P83-F85 HydrophobicContact CG-CZ 4.14Å; P83-F85 WeakPolarHBondContact O-CD2 3.47Å; P83-F85 WeakPolarHBondContact O-CE2 3.37Å
84E80.8Confident72.8Confident165 Ų16590.2 Ų90.277%0.77151%0.511SS*.PPolyproline II helixtrans-90.2137.8178.5-67.1-172.8175.800110.8A82 P86A82-E84 PolarHBondContact O-N 3.43Å; E84-P86 VanDerWaalsContact C-CD 3.5Å; E84-P86 HydrophobicContact CB-CG 4.38Å; E84-P86 WeakPolarHBondContact O-CD 3.45Å
85F89.6Confident75.7Confident16 Ų1684.4 Ų84.47%0.0748%0.481CS..  trans-123.868.1175-54.8-84.8000110.5N33 V34 Y37 P83 E87 F88 T89 F133N33-F85 HydrophobicContact CB-CE1 4.17Å; N33-F85 VanDerWaalsContact ND2-CD1 3.34Å; N33-F85 WeakPolarHBondContact ND2-CD1 3.42Å; N33-F85 WeakPolarHBondContact ND2-CE1 3.41Å; V34-F85 HydrophobicContact CB-CE1 4.49Å; V34-F85 HydrophobicContact CG2-CD1 3.54Å; V34-F85 HydrophobicContact CG2-CE1 3.77Å; V34-F85 HydrophobicContact CG2-CG 3.99Å; V34-F85 HydrophobicContact CG2-CZ 4.38Å; Y37-F85 AromaticContact CD1-CE2 3.88Å; Y37-F85 HydrophobicContact CD1-CE2 3.88Å; Y37-F85 HydrophobicContact CD1-CZ 4.13Å; Y37-F85 HydrophobicContact CE1-CE2 4.43Å; Y37-F85 HydrophobicContact CG-CE2 4.05Å; Y37-F85 AromaticContact CG-CZ 3.91Å; Y37-F85 HydrophobicContact CG-CZ 3.91Å; P83-F85 HydrophobicContact CB-CE2 3.99Å; P83-F85 HydrophobicContact CB-CZ 3.96Å; P83-F85 HydrophobicContact CG-CE2 3.99Å; P83-F85 HydrophobicContact CG-CZ 4.14Å; P83-F85 WeakPolarHBondContact O-CD2 3.47Å; P83-F85 WeakPolarHBondContact O-CE2 3.37Å; F85-E87 PolarHBondContact O-N 2.92Å; F85-F88 HydrophobicContact CB-CB 4.04Å; F85-F88 PolarHBondContact O-N 2.77Å; F85-T89 VanDerWaalsContact O-CB 3.28Å; F85-T89 WeakPolarHBondContact O-CB 3.25Å; F85-T89 PolarHBondContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.01Å; F85-F133 AromaticContact CD2-CE2 3.71Å; F85-F133 HydrophobicContact CD2-CE2 3.71Å; F85-F133 AromaticContact CD2-CZ 3.91Å; F85-F133 HydrophobicContact CD2-CZ 3.91Å; F85-F133 AromaticContact CE2-CE2 3.89Å; F85-F133 HydrophobicContact CE2-CE2 3.89Å; F85-F133 HydrophobicContact CE2-CZ 4.08Å
86P90.1Very high78.3Confident91 Ų9175.1 Ų75.159%0.59144%0.437SS*.Hα-helixtrans-60.3-43.6-167.1-25.335.1000114.1E84 T89 S90E84-P86 VanDerWaalsContact C-CD 3.5Å; E84-P86 HydrophobicContact CB-CG 4.38Å; E84-P86 WeakPolarHBondContact O-CD 3.45Å; P86-T89 PolarHBondContact O-N 2.8Å; P86-S90 PolarHBondContact O-N 3.32Å
87E92.8Very high81.1Confident169 Ų16974.5 Ų74.579%0.7943%0.43SS*.Hα-helixtrans-64.7-45.7179-176.1178.3-17200111.7F85 S90 T91F85-E87 PolarHBondContact O-N 2.92Å; E87-S90 PolarHBondContact O-N 2.78Å; E87-T91 PolarHBondContact O-N 3.07Å; E87-T91 VanDerWaalsContact O-N 3.09Å; E87-T91 PolarHBondContact O-OG1 2.71Å
88F94.6Very high83.7Confident16 Ų1672.9 Ų72.97%0.0743%0.426CS..Hα-helixtrans-67.6-39.2178.1-170.7-117.4000111.5L30 P31 V34 F85 S90 T91 V92 L129 F133 L167L30-F88 HydrophobicContact CD1-CE1 4.17Å; L30-F88 HydrophobicContact CD1-CE2 4.4Å; L30-F88 HydrophobicContact CD1-CZ 3.66Å; P31-F88 HydrophobicContact CG-CB 4.48Å; P31-F88 HydrophobicContact CG-CD2 3.75Å; P31-F88 HydrophobicContact CG-CE2 4.22Å; P31-F88 HydrophobicContact CG-CG 4.2Å; V34-F88 HydrophobicContact CG1-CD1 4.47Å; V34-F88 HydrophobicContact CG1-CE1 4.09Å; V34-F88 HydrophobicContact CG2-CD1 3.84Å; V34-F88 HydrophobicContact CG2-CE1 4.21Å; V34-F88 HydrophobicContact CG2-CG 4.22Å; F85-F88 HydrophobicContact CB-CB 4.04Å; F85-F88 PolarHBondContact O-N 2.77Å; F88-S90 PolarHBondContact O-N 2.72Å; F88-T91 PolarHBondContact O-N 2.98Å; F88-V92 HydrophobicContact CD1-CG2 4.13Å; F88-V92 HydrophobicContact CD2-CG2 4.34Å; F88-V92 HydrophobicContact CE1-CG2 3.83Å; F88-V92 HydrophobicContact CE2-CG2 4.05Å; F88-V92 HydrophobicContact CG-CG2 4.38Å; F88-V92 HydrophobicContact CZ-CG2 3.79Å; F88-V92 WeakPolarHBondContact O-CB 3.48Å; F88-V92 VanDerWaalsContact O-CG2 3.3Å; F88-V92 WeakPolarHBondContact O-CG2 3.46Å; F88-V92 PolarHBondContact O-N 3.39Å; F88-L129 HydrophobicContact CD1-CD1 4Å; F88-L129 HydrophobicContact CD1-CD2 3.86Å; F88-L129 HydrophobicContact CE1-CD1 3.73Å; F88-L129 HydrophobicContact CE1-CD2 4.44Å; F88-F133 HydrophobicContact CE1-CE1 4.49Å; F88-L167 HydrophobicContact CE1-CD2 4.14Å; F88-L167 HydrophobicContact CZ-CB 4.28Å; F88-L167 HydrophobicContact CZ-CD2 3.61Å
89T94.6Very high86.4Confident57 Ų5768.9 Ų68.935%0.3539%0.392SS..Hα-helixtrans-58.8-46.4175.8-56.40000111.2F85 P86 V92 L93 L129F85-T89 VanDerWaalsContact O-CB 3.28Å; F85-T89 WeakPolarHBondContact O-CB 3.25Å; F85-T89 PolarHBondContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.01Å; P86-T89 PolarHBondContact O-N 2.8Å; T89-V92 PolarHBondContact O-N 2.95Å; T89-L93 VanDerWaalsContact O-CB 3.31Å; T89-L93 WeakPolarHBondContact O-CB 3.31Å; T89-L93 PolarHBondContact O-N 3.2Å; T89-L129 HydrophobicContact CG2-CD2 4.48Å; T89-L129 VanDerWaalsContact OG1-CD2 3.28Å; T89-L129 WeakPolarHBondContact OG1-CD2 3.43Å
90S95.6Very high88.7Confident58 Ų5864.1 Ų64.141%0.40638%0.383SS..Hα-helixtrans-60.9-47.7176.2-164.30000111.3P86 E87 F88 V92 L93 E94P86-S90 PolarHBondContact O-N 3.32Å; E87-S90 PolarHBondContact O-N 2.78Å; F88-S90 PolarHBondContact O-N 2.72Å; S90-V92 VanDerWaalsContact C-N 3.33Å; S90-V92 PolarHBondContact O-N 3.45Å; S90-L93 PolarHBondContact O-N 3.45Å; S90-E94 WeakPolarHBondContact O-CB 3.42Å; S90-E94 WeakPolarHBondContact O-CG 3.44Å; S90-E94 PolarHBondContact O-N 3.17Å; S90-E94 PolarHBondContact OG-OE1 3.3Å
91T97.3Very high90.7Very high56 Ų5662.4 Ų62.434%0.34437%0.371SS..Hα-helixtrans-59.7-43.6179.9-550000111.8L28 E87 F88 A95L28-T91 HydrophobicContact CD1-CG2 4.27Å; L28-T91 HydrophobicContact CD2-CG2 3.91Å; E87-T91 PolarHBondContact O-N 3.07Å; E87-T91 VanDerWaalsContact O-N 3.09Å; E87-T91 PolarHBondContact O-OG1 2.71Å; F88-T91 PolarHBondContact O-N 2.98Å; T91-A95 WeakPolarHBondContact O-CB 3.48Å; T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.1Å
92V97.1Very high92.5Very high0 Ų057.9 Ų57.90%034%0.344CS..Hα-helixtrans-66.3-46.1177.7167.30000110.8L28 F88 T89 S90 E94 A95 I96 L129 L167 L169L28-V92 HydrophobicContact CD1-CB 4.49Å; L28-V92 HydrophobicContact CD1-CG2 3.76Å; F88-V92 HydrophobicContact CD1-CG2 4.13Å; F88-V92 HydrophobicContact CD2-CG2 4.34Å; F88-V92 HydrophobicContact CE1-CG2 3.83Å; F88-V92 HydrophobicContact CE2-CG2 4.05Å; F88-V92 HydrophobicContact CG-CG2 4.38Å; F88-V92 HydrophobicContact CZ-CG2 3.79Å; F88-V92 WeakPolarHBondContact O-CB 3.48Å; F88-V92 VanDerWaalsContact O-CG2 3.3Å; F88-V92 WeakPolarHBondContact O-CG2 3.46Å; F88-V92 PolarHBondContact O-N 3.39Å; T89-V92 PolarHBondContact O-N 2.95Å; S90-V92 VanDerWaalsContact C-N 3.33Å; S90-V92 PolarHBondContact O-N 3.45Å; V92-E94 PolarHBondContact O-N 3.09Å; V92-A95 WeakPolarHBondContact O-CB 3.36Å; V92-A95 PolarHBondContact O-N 3.11Å; V92-I96 HydrophobicContact CG1-CD1 3.8Å; V92-I96 HydrophobicContact CG1-CG1 4.34Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.45Å; V92-I96 PolarHBondContact O-N 3.29Å; V92-L129 HydrophobicContact CG1-CB 4.22Å; V92-L129 HydrophobicContact CG1-CD1 4.3Å; V92-L129 HydrophobicContact CG2-CD1 4.22Å; V92-L167 HydrophobicContact CG2-CD2 3.7Å; V92-L169 HydrophobicContact CG1-CD1 4.23Å
93L96.9Very high94Very high85 Ų8557 Ų5745%0.44534%0.337SS..Hα-helixtrans-62.9-41.1179.4-174.463.6000112.1T89 S90 A95 I96 N97T89-L93 VanDerWaalsContact O-CB 3.31Å; T89-L93 WeakPolarHBondContact O-CB 3.31Å; T89-L93 PolarHBondContact O-N 3.2Å; S90-L93 PolarHBondContact O-N 3.45Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.76Å; L93-I96 PolarHBondContact O-N 2.9Å; L93-N97 WeakPolarHBondContact O-CB 3.41Å; L93-N97 VanDerWaalsContact O-CG 3.25Å; L93-N97 PolarHBondContact O-N 2.84Å; L93-N97 PolarHBondContact O-ND2 3.44Å
94E97.9Very high95.2Very high127 Ų12755.8 Ų55.859%0.59333%0.325SS*.Hα-helixtrans-59.6-44173.2-76.2174.8-152.500111.9S90 V92 N97 A98S90-E94 WeakPolarHBondContact O-CB 3.42Å; S90-E94 WeakPolarHBondContact O-CG 3.44Å; S90-E94 PolarHBondContact O-N 3.17Å; S90-E94 PolarHBondContact OG-OE1 3.3Å; V92-E94 PolarHBondContact O-N 3.09Å; E94-N97 PolarHBondContact O-N 3.3Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.38Å
95A98.1Very high96Very high6 Ų647.9 Ų47.95%0.0529%0.288CS..Hα-helixtrans-65.7-41.8177.400000112.4L26 L28 T91 V92 L93 N97 A98 L99 L169L26-A95 HydrophobicContact CB-CB 4.48Å; L26-A95 HydrophobicContact CD1-CB 3.73Å; L28-A95 HydrophobicContact CD1-CB 4Å; L28-A95 HydrophobicContact CD2-CB 4.36Å; T91-A95 WeakPolarHBondContact O-CB 3.48Å; T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.1Å; V92-A95 WeakPolarHBondContact O-CB 3.36Å; V92-A95 PolarHBondContact O-N 3.11Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.76Å; A95-N97 PolarHBondContact O-N 3.13Å; A95-A98 PolarHBondContact O-N 3.05Å; A95-L99 WeakPolarHBondContact O-CG 3.39Å; A95-L99 PolarHBondContact O-N 3.11Å; A95-L99 VanDerWaalsContact O-N 3.12Å; A95-L169 HydrophobicContact CB-CD1 3.76Å
96I98Very high96.3Very high1 Ų147.2 Ų47.21%0.00529%0.285CS..Hα-helixtrans-58.4-48.5173.9-69.8174.1000110.2V92 L93 A98 L99 G100 G101 V103 L169V92-I96 HydrophobicContact CG1-CD1 3.8Å; V92-I96 HydrophobicContact CG1-CG1 4.34Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.45Å; V92-I96 PolarHBondContact O-N 3.29Å; L93-I96 PolarHBondContact O-N 2.9Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.24Å; I96-L99 PolarHBondContact O-N 3.12Å; I96-L99 VanDerWaalsContact O-N 3.11Å; I96-G100 PolarHBondContact O-N 3.27Å; I96-G101 VanDerWaalsContact CG2-O 3.25Å; I96-G101 WeakPolarHBondContact CG2-O 3.48Å; I96-G101 PolarHBondContact O-N 3.06Å; I96-V103 HydrophobicContact CB-CG1 4.35Å; I96-V103 HydrophobicContact CD1-CG2 4.2Å; I96-V103 HydrophobicContact CG1-CG1 4.05Å; I96-V103 HydrophobicContact CG1-CG2 3.77Å; I96-V103 HydrophobicContact CG2-CG1 4.42Å; I96-L169 HydrophobicContact CG1-CD1 4.05Å
97N97.7Very high96.7Very high105 Ų10542.9 Ų42.956%0.56126%0.257SS*.Hα-helixtrans-60.7-42.1177.6-73.1-36.4000112L93 E94 A95 L99 G100L93-N97 WeakPolarHBondContact O-CB 3.41Å; L93-N97 VanDerWaalsContact O-CG 3.25Å; L93-N97 PolarHBondContact O-N 2.84Å; L93-N97 PolarHBondContact O-ND2 3.44Å; E94-N97 PolarHBondContact O-N 3.3Å; A95-N97 PolarHBondContact O-N 3.13Å; N97-L99 PolarHBondContact O-N 3.41Å; N97-G100 PolarHBondContact O-N 2.93Å; N97-G100 VanDerWaalsContact O-N 3.16Å
98A97.9Very high96.9Very high58 Ų5834.8 Ų34.848%0.47922%0.219SC..Hα-helixtrans-66.6-18.5177.300000114.3K24 L26 E94 A95 I96K24-A98 PolarHBondContact NZ-O 3.47Å; L26-A98 HydrophobicContact CD1-CB 4.04Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.38Å; A95-A98 PolarHBondContact O-N 3.05Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.24Å
99L97.4Very high97Very high5 Ų535 Ų353%0.02622%0.219CC..Hα-helixtrans-97-5.6176.9-68.9168.2000113.4K24 L26 A95 I96 N97 V103 L169 K171K24-L99 HydrophobicContact CD-CD2 4.12Å; K24-L99 HydrophobicContact CG-CD2 4Å; L26-L99 HydrophobicContact CB-CD1 4.29Å; L26-L99 HydrophobicContact CD1-CD1 4.08Å; L26-L99 HydrophobicContact CD1-CD2 4.41Å; L26-L99 HydrophobicContact CD1-CG 3.94Å; L26-L99 HydrophobicContact CG-CD1 4.09Å; L26-L99 HydrophobicContact CG-CD2 4.14Å; L26-L99 HydrophobicContact CG-CG 4.13Å; A95-L99 WeakPolarHBondContact O-CG 3.39Å; A95-L99 PolarHBondContact O-N 3.11Å; A95-L99 VanDerWaalsContact O-N 3.12Å; I96-L99 PolarHBondContact O-N 3.12Å; I96-L99 VanDerWaalsContact O-N 3.11Å; N97-L99 PolarHBondContact O-N 3.41Å; L99-V103 HydrophobicContact CB-CG1 3.84Å; L99-V103 HydrophobicContact CD1-CG1 3.66Å; L99-V103 HydrophobicContact CG-CG1 4.41Å; L99-L169 HydrophobicContact CD1-CB 3.77Å; L99-L169 WeakPolarHBondContact CD1-O 3.38Å; L99-K171 HydrophobicContact CB-CB 4.4Å; L99-K171 HydrophobicContact CD2-CB 4.12Å; L99-K171 WeakPolarHBondContact O-CD 3.3Å; L99-K171 WeakPolarHBondContact O-CG 3.27Å
100G95.9Very high97.1Very high63 Ų6333.7 Ų33.765%0.64921%0.213SC*.THydrogen-bonded Turntrans106.320.2177.100000114.4I96 N97 C102I96-G100 PolarHBondContact O-N 3.27Å; N97-G100 PolarHBondContact O-N 2.93Å; N97-G100 VanDerWaalsContact O-N 3.16Å; G100-C102 VanDerWaalsContact C-N 3.31Å; G100-C102 PolarHBondContact O-N 3.5Å
101G95.4Very high97.1Very high23 Ų2331.2 Ų31.224%0.23720%0.196CC..SBendtrans89-16.7171.200000115.3I96I96-G101 VanDerWaalsContact CG2-O 3.25Å; I96-G101 WeakPolarHBondContact CG2-O 3.48Å; I96-G101 PolarHBondContact O-N 3.06Å
102C96.2Very high96.9Very high32 Ų3228.6 Ų28.622%0.21618%0.18CC..  trans-130.4130.8-180-52.70000109.3G100 E125 W172G100-C102 VanDerWaalsContact C-N 3.31Å; G100-C102 PolarHBondContact O-N 3.5Å; C102-E125 HydrophobicContact CB-CG 3.95Å; C102-E125 PolarHBondContact SG-OE1 3.25Å; C102-W172 HydrophobicContact CB-CB 3.76Å; C102-W172 HydrophobicContact CB-CG 4.25Å; C102-W172 VanDerWaalsContact O-CB 3.28Å; C102-W172 WeakPolarHBondContact O-CB 3.31Å; C102-W172 PolarHBondContact O-N 3.21Å
103V97.7Very high96.6Very high0 Ų032.8 Ų32.80%020%0.195CC..EExtended strand (participates in β ladder)trans-135160.9-175.7-60.70000112.3I96 L99 C126 L169 R170I96-V103 HydrophobicContact CB-CG1 4.35Å; I96-V103 HydrophobicContact CD1-CG2 4.2Å; I96-V103 HydrophobicContact CG1-CG1 4.05Å; I96-V103 HydrophobicContact CG1-CG2 3.77Å; I96-V103 HydrophobicContact CG2-CG1 4.42Å; L99-V103 HydrophobicContact CB-CG1 3.84Å; L99-V103 HydrophobicContact CD1-CG1 3.66Å; L99-V103 HydrophobicContact CG-CG1 4.41Å; V103-C126 HydrophobicContact CG2-CB 4.11Å; V103-C126 WeakPolarHBondContact CG2-O 3.21Å; V103-C126 PolarHBondContact N-O 3.38Å; V103-C126 PolarHBondContact O-N 3.13Å; V103-L169 HydrophobicContact CB-CB 4.37Å; V103-L169 HydrophobicContact CG1-CB 4.35Å; V103-L169 HydrophobicContact CG2-CD2 4.08Å; V103-R170 CarbonylContact C-O 3.59Å; V103-R170 WeakPolarHBondContact CA-O 3.47Å; V103-R170 VanDerWaalsContact CB-O 3.29Å; V103-R170 WeakPolarHBondContact CB-O 3.21Å
104F97.1Very high96.2Very high38 Ų3828.9 Ų28.917%0.16718%0.175CC..EExtended strand (participates in β ladder)trans-111.8114.5167.8176.5-96.7000108.5A111 L124 R170 W172F104-A111 HydrophobicContact CE1-CB 3.5Å; F104-A111 VanDerWaalsContact CE1-CB 3.5Å; F104-A111 HydrophobicContact CZ-CB 3.41Å; F104-A111 VanDerWaalsContact CZ-CB 3.41Å; F104-L124 HydrophobicContact CD2-CB 3.7Å; F104-L124 HydrophobicContact CE2-CB 3.56Å; F104-L124 HydrophobicContact CE2-CD1 3.64Å; F104-L124 HydrophobicContact CE2-CG 4.22Å; F104-L124 HydrophobicContact CZ-CD1 4.4Å; F104-R170 HydrophobicContact CB-CB 4.33Å; F104-R170 HydrophobicContact CD1-CG 4.42Å; F104-R170 PolarHBondContact N-O 2.96Å; F104-R170 PolarHBondContact O-N 3.08Å; F104-W172 HydrophobicContact CB-CE3 4.09Å; F104-W172 HydrophobicContact CB-CZ3 4.47Å; F104-W172 HydrophobicContact CD2-CZ3 4.11Å
105P97.5Very high95.8Very high0 Ų022.8 Ų22.80%015%0.147CC..EExtended strand (participates in β ladder)trans-85.8145.5-177.636.3-36.9000111.9P112 C126 V132 L135 F136 L167 V168 L169P105-P112 VanDerWaalsContact O-CD 3.25Å; P105-P112 WeakPolarHBondContact O-CD 3.39Å; P105-C126 HydrophobicContact CG-CB 4.47Å; P105-C126 VanDerWaalsContact CG-SG 3.6Å; P105-V132 HydrophobicContact CB-CG1 4Å; P105-V132 HydrophobicContact CB-CG2 4.02Å; P105-V132 HydrophobicContact CG-CG1 4.46Å; P105-V132 HydrophobicContact CG-CG2 4.22Å; P105-L135 HydrophobicContact CG-CD1 4.31Å; P105-F136 HydrophobicContact CB-CE1 3.66Å; P105-F136 HydrophobicContact CB-CZ 3.81Å; P105-F136 HydrophobicContact CG-CE1 3.88Å; P105-L167 HydrophobicContact CB-CD1 4.23Å; P105-V168 CarbonylContact C-O 3.54Å; P105-V168 WeakPolarHBondContact CA-O 3.33Å; P105-L169 HydrophobicContact CB-CD2 4.13Å
106K97.9Very high95.2Very high1 Ų124.5 Ų24.50%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-148.8163.6166.770.5171.1-70.7175.80110.7F11 W109 S110 A111 V168 D249F11-K106 HydrophobicContact CD2-CD 4Å; F11-K106 HydrophobicContact CE2-CD 4.41Å; K106-W109 WeakPolarHBondContact CE-O 3.38Å; K106-W109 PolarHBondContact NZ-O 2.95Å; K106-S110 WeakPolarHBondContact CB-O 3.33Å; K106-A111 HydrophobicContact CB-CB 3.77Å; K106-V168 HydrophobicContact CG-CB 3.68Å; K106-V168 HydrophobicContact CG-CG1 4.01Å; K106-V168 HydrophobicContact CG-CG2 4.28Å; K106-V168 PolarHBondContact N-O 3.12Å; K106-V168 WeakPolarHBondContact O-CB 3.34Å; K106-V168 PolarHBondContact O-N 3.48Å; K106-D249 IonicContact NZ-OD1 2.78Å; K106-D249 PolarHBondContact NZ-OD1 2.9Å; K106-D249 IonicContact NZ-OD2 3.65Å; K106-D249 PolarHBondContact NZ-OD2 3.22Å
107L97.9Very high94.4Very high0 Ų029.4 Ų29.40%017%0.174CC..  trans-87.8-165.8167.7-73.4-173.7000110.7L30 W109 S110 F136 I142 D145 L146 E166L30-L107 HydrophobicContact CD2-CD2 3.9Å; L107-W109 PolarHBondContact O-N 2.92Å; L107-W109 VanDerWaalsContact O-N 3.14Å; L107-S110 PolarHBondContact N-O 3.34Å; L107-F136 HydrophobicContact CD2-CD2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 3.63Å; L107-F136 HydrophobicContact CD2-CZ 4.38Å; L107-F136 HydrophobicContact CG-CD2 4.48Å; L107-F136 HydrophobicContact CG-CE2 3.91Å; L107-F136 HydrophobicContact CG-CZ 4.36Å; L107-I142 HydrophobicContact CB-CD1 4.29Å; L107-I142 HydrophobicContact CD1-CB 4.37Å; L107-I142 HydrophobicContact CD1-CD1 4.21Å; L107-I142 HydrophobicContact CD1-CG2 3.53Å; L107-I142 HydrophobicContact CG-CD1 3.98Å; L107-I142 HydrophobicContact CG-CG2 4.18Å; L107-D145 HydrophobicContact CB-CB 4.47Å; L107-D145 HydrophobicContact CD1-CB 4.01Å; L107-L146 HydrophobicContact CD1-CD1 4.33Å; L107-L146 HydrophobicContact CD1-CD2 3.76Å; L107-L146 HydrophobicContact CD1-CG 3.78Å; L107-E166 WeakPolarHBondContact CA-O 3.37Å; L107-E166 VanDerWaalsContact CD2-O 3.32Å; L107-E166 WeakPolarHBondContact CD2-O 3.49Å
108N97.3Very high93.6Very high0 Ų026.9 Ų26.90%016%0.159CC..SBendtrans-46.2-41.4177.9-6257.4000112.4Q10 F11 S164 Y165 E166Q10-N108 HydrophobicContact CG-CB 4.22Å; Q10-N108 PolarHBondContact OE1-ND2 3.35Å; F11-N108 PolarHBondContact N-O 2.84Å; N108-S164 PolarHBondContact ND2-O 3.06Å; N108-S164 VanDerWaalsContact ND2-O 3.07Å; N108-Y165 WeakPolarHBondContact OD1-CA 3.38Å; N108-E166 HydrophobicContact CB-CG 4.37Å; N108-E166 PolarHBondContact OD1-N 2.94Å
109W96.8Very high92.8Very high19 Ų1924.7 Ų24.77%0.07214%0.141CC..SBendtrans-125.5-46.7-175.5-53.9-79.3000113.1V6 Q10 K106 L107 D145 P149 I163 Y165V6-W109 HydrophobicContact CG1-CZ2 3.84Å; V6-W109 PolarHBondContact O-NE1 3.35Å; Q10-W109 VanDerWaalsContact CG-CE2 3.47Å; Q10-W109 HydrophobicContact CG-CH2 4.47Å; Q10-W109 HydrophobicContact CG-CZ2 3.44Å; Q10-W109 VanDerWaalsContact CG-CZ2 3.44Å; Q10-W109 VanDerWaalsContact CG-NE1 3.35Å; K106-W109 WeakPolarHBondContact CE-O 3.38Å; K106-W109 PolarHBondContact NZ-O 2.95Å; L107-W109 PolarHBondContact O-N 2.92Å; L107-W109 VanDerWaalsContact O-N 3.14Å; W109-D145 HydrophobicContact CE3-CB 4.09Å; W109-D145 HydrophobicContact CZ3-CB 4.47Å; W109-D145 PolarHBondContact N-OD2 2.88Å; W109-P149 HydrophobicContact CE3-CB 4.29Å; W109-P149 HydrophobicContact CH2-CB 3.79Å; W109-P149 HydrophobicContact CH2-CG 4.33Å; W109-P149 HydrophobicContact CZ3-CB 3.62Å; W109-P149 HydrophobicContact CZ3-CG 4.31Å; W109-I163 HydrophobicContact CH2-CD1 4.27Å; W109-I163 HydrophobicContact CH2-CG1 4.11Å; W109-I163 HydrophobicContact CH2-CG2 3.92Å; W109-I163 HydrophobicContact CZ2-CD1 4.36Å; W109-Y165 HydrophobicContact CZ3-CE1 4.17Å
110S96.3Very high91.5Very high31 Ų3133.2 Ų33.222%0.21719%0.186CC..  trans-105.9145.5-166.6-59.40000112.8K106 L107 I142 D145K106-S110 WeakPolarHBondContact CB-O 3.33Å; L107-S110 PolarHBondContact N-O 3.34Å; S110-I142 WeakPolarHBondContact O-CD1 3.42Å; S110-D145 VanDerWaalsContact CB-OD1 3.25Å; S110-D145 WeakPolarHBondContact CB-OD1 3.21Å; S110-D145 WeakPolarHBondContact CB-OD2 3.28Å; S110-D145 PolarHBondContact N-OD2 2.84Å; S110-D145 PolarHBondContact OG-OD1 3.19Å
111A94.8Very high90.5Very high6 Ų635 Ų355%0.0518%0.181CC..  trans-105.9148.3169.900000109.9F104 K106 R113F104-A111 HydrophobicContact CE1-CB 3.5Å; F104-A111 VanDerWaalsContact CE1-CB 3.5Å; F104-A111 HydrophobicContact CZ-CB 3.41Å; F104-A111 VanDerWaalsContact CZ-CB 3.41Å; K106-A111 HydrophobicContact CB-CB 3.77Å; A111-R113 HydrophobicContact CB-CG 4.37Å; A111-R113 PolarHBondContact O-N 3.19Å
112P94.3Very high89.7Confident0 Ų037.6 Ų37.60%020%0.195CC..  trans-78.550.2-171.436-39.6000112.7P105 D114 A115 L124 L135 F136 S139 I142P105-P112 VanDerWaalsContact O-CD 3.25Å; P105-P112 WeakPolarHBondContact O-CD 3.39Å; P112-D114 VanDerWaalsContact C-N 3.29Å; P112-D114 VanDerWaalsContact C-OD1 3.31Å; P112-D114 PolarHBondContact O-N 2.9Å; P112-A115 HydrophobicContact CB-CB 4.18Å; P112-A115 PolarHBondContact O-N 2.87Å; P112-A115 VanDerWaalsContact O-N 3.1Å; P112-L124 VanDerWaalsContact O-CD2 3.27Å; P112-L124 WeakPolarHBondContact O-CD2 3.4Å; P112-L135 HydrophobicContact CB-CB 4.1Å; P112-L135 HydrophobicContact CG-CB 3.89Å; P112-L135 HydrophobicContact CG-CD1 4.29Å; P112-F136 HydrophobicContact CB-CD1 4.21Å; P112-F136 HydrophobicContact CG-CD1 3.93Å; P112-F136 HydrophobicContact CG-CE1 3.87Å; P112-S139 WeakPolarHBondContact CA-OG 3.35Å; P112-I142 HydrophobicContact CB-CD1 4.39Å; P112-I142 HydrophobicContact CB-CG1 3.9Å
113R90.3Very high89.2Confident88 Ų8837.2 Ų37.233%0.33219%0.193SC..  trans-66.9-33.5-175-66.1-174.8-65.4-142.4-9112.7A111 A115 N116 L124A111-R113 HydrophobicContact CB-CG 4.37Å; A111-R113 PolarHBondContact O-N 3.19Å; R113-A115 PolarHBondContact O-N 3.26Å; R113-N116 WeakPolarHBondContact O-CB 3.36Å; R113-N116 PolarHBondContact O-N 2.94Å; R113-L124 HydrophobicContact CB-CD1 4.3Å; R113-L124 HydrophobicContact CG-CD1 3.96Å
114D88.8Confident88.9Confident3 Ų338.3 Ų38.32%0.01620%0.198CC..G310 helixtrans-63.6-28172.257.6-33.7000112.4P112 N116 S139 D140 F141 Y308P112-D114 VanDerWaalsContact C-N 3.29Å; P112-D114 VanDerWaalsContact C-OD1 3.31Å; P112-D114 PolarHBondContact O-N 2.9Å; D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 PolarHBondContact O-N 2.88Å; D114-S139 VanDerWaalsContact CG-OG 3.28Å; D114-S139 WeakPolarHBondContact OD1-CB 3.41Å; D114-S139 PolarHBondContact OD1-OG 3.1Å; D114-S139 WeakPolarHBondContact OD2-CA 3.18Å; D114-S139 PolarHBondContact OD2-OG 3.27Å; D114-D140 WeakPolarHBondContact OD2-CA 3.25Å; D114-D140 PolarHBondContact OD2-N 2.81Å; D114-F141 HydrophobicContact CB-CD2 3.91Å; D114-F141 HydrophobicContact CB-CE2 3.76Å; D114-F141 HydrophobicContact CB-CG 4.46Å; D114-F141 HydrophobicContact CB-CZ 4.19Å; D114-F141 VanDerWaalsContact CG-CD2 3.46Å; D114-F141 WeakPolarHBondContact OD1-CD2 3.21Å; D114-F141 PolarHBondContact OD2-N 2.96Å; D114-F141 VanDerWaalsContact OD2-N 3.09Å; D114-Y308 HydrophobicContact CB-CD1 4.03Å; D114-Y308 HydrophobicContact CB-CD2 4.16Å; D114-Y308 HydrophobicContact CB-CG 3.78Å
115A88.7Confident88.8Confident0 Ų038.1 Ų38.10%020%0.198CC..G310 helixtrans-84.88.4176.800000114.7P112 R113 W117 I118 L135 S138P112-A115 HydrophobicContact CB-CB 4.18Å; P112-A115 PolarHBondContact O-N 2.87Å; P112-A115 VanDerWaalsContact O-N 3.1Å; R113-A115 PolarHBondContact O-N 3.26Å; A115-W117 PolarHBondContact O-N 2.86Å; A115-I118 WeakPolarHBondContact O-CG2 3.38Å; A115-I118 PolarHBondContact O-N 3.36Å; A115-L135 HydrophobicContact CB-CD2 4.31Å; A115-L135 WeakPolarHBondContact CB-O 3.42Å; A115-S138 WeakPolarHBondContact CB-O 3.39Å
116N85.6Confident88.7Confident41 Ų4138.2 Ų38.222%0.21920%0.199CC..G310 helixtrans-60.4-16.5-178.9-166.344.4000113.8R113 D114 S122 S123 L124R113-N116 WeakPolarHBondContact O-CB 3.36Å; R113-N116 PolarHBondContact O-N 2.94Å; D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 PolarHBondContact O-N 2.88Å; N116-S122 PolarHBondContact ND2-O 2.91Å; N116-S122 PolarHBondContact OD1-O 2.86Å; N116-S123 WeakPolarHBondContact OD1-CA 3.38Å; N116-S123 PolarHBondContact OD1-N 2.85Å; N116-L124 HydrophobicContact CB-CD2 3.95Å; N116-L124 HydrophobicContact CB-CG 4.35Å
117W81.2Confident88.5Confident105 Ų10545.3 Ų45.340%0.39823%0.225SC..G310 helixtrans-73.6-27-179.665.7-94.5000114.2A115 R309A115-W117 PolarHBondContact O-N 2.86Å; W117-R309 HydrophobicContact CB-CG 3.83Å; W117-R309 HydrophobicContact CG-CG 3.85Å
118I81.4Confident88.3Confident52 Ų5247.2 Ų47.227%0.26724%0.239SC..THydrogen-bonded Turntrans-83.6-20.7-178.8-163.668.5000111.8A115 L120 L134 L135A115-I118 WeakPolarHBondContact O-CG2 3.38Å; A115-I118 PolarHBondContact O-N 3.36Å; I118-L120 PolarHBondContact O-N 2.76Å; I118-L134 HydrophobicContact CG1-CD1 3.71Å; I118-L134 HydrophobicContact CG1-CG 4.14Å; I118-L134 HydrophobicContact CG2-CD1 4.38Å; I118-L134 HydrophobicContact CG2-CG 3.98Å; I118-L135 HydrophobicContact CG2-CD2 4.28Å
119A79.9Confident88.1Confident12 Ų1247.9 Ų47.910%0.09924%0.242CC..SBendtrans-66.8128.2179.500000111.4N121 S122 S123 L135A119-N121 PolarHBondContact O-N 2.85Å; A119-S122 PolarHBondContact O-N 2.8Å; A119-S123 WeakPolarHBondContact CB-O 3.26Å; A119-L135 HydrophobicContact CB-CD2 4.13Å
120L71.3Confident87.8Confident183 Ų18349.3 Ų49.396%0.95826%0.255SS*.THydrogen-bonded Turntrans-56.1-26.8-177.9-66.6171.2000114I118I118-L120 PolarHBondContact O-N 2.76Å
121N75.2Confident87.6Confident101 Ų10150.7 Ų50.754%0.5426%0.26SS..THydrogen-bonded Turntrans-109.710.2179.162.2-5.6000113.3A119 S123A119-N121 PolarHBondContact O-N 2.85Å; N121-S123 VanDerWaalsContact CG-CB 3.48Å; N121-S123 WeakPolarHBondContact ND2-CB 3.44Å; N121-S123 PolarHBondContact O-N 2.84Å; N121-S123 VanDerWaalsContact O-N 3.12Å; N121-S123 VanDerWaalsContact OD1-CB 3.26Å; N121-S123 WeakPolarHBondContact OD1-CB 3.2Å; N121-S123 PolarHBondContact OD1-N 2.78Å; N121-S123 VanDerWaalsContact OD1-N 3.08Å
122S77.3Confident87.6Confident77 Ų7750.4 Ų50.454%0.53826%0.258SS..SBendtrans49.634-172.1-59.90000113.2N116 A119N116-S122 PolarHBondContact ND2-O 2.91Å; N116-S122 PolarHBondContact OD1-O 2.86Å; A119-S122 PolarHBondContact O-N 2.8Å
123S85.9Confident87.5Confident24 Ų2451.3 Ų51.317%0.16826%0.262CS..  trans-119.7146.7177.8-1730000110.3N116 A119 N121 E125 W172N116-S123 WeakPolarHBondContact OD1-CA 3.38Å; N116-S123 PolarHBondContact OD1-N 2.85Å; A119-S123 WeakPolarHBondContact CB-O 3.26Å; N121-S123 VanDerWaalsContact CG-CB 3.48Å; N121-S123 WeakPolarHBondContact ND2-CB 3.44Å; N121-S123 PolarHBondContact O-N 2.84Å; N121-S123 VanDerWaalsContact O-N 3.12Å; N121-S123 VanDerWaalsContact OD1-CB 3.26Å; N121-S123 WeakPolarHBondContact OD1-CB 3.2Å; N121-S123 PolarHBondContact OD1-N 2.78Å; N121-S123 VanDerWaalsContact OD1-N 3.08Å; S123-E125 PolarHBondContact O-N 2.75Å; S123-E125 WeakPolarHBondContact OG-CB 3.41Å; S123-E125 PolarHBondContact OG-N 3.41Å; S123-W172 WeakPolarHBondContact OG-CH2 3.24Å
124L91.4Very high87.6Confident23 Ų2348.8 Ų48.812%0.1226%0.255CS..  trans-88.714172.1-58.9170.6000111.9F104 P112 R113 N116 L135 W172F104-L124 HydrophobicContact CD2-CB 3.7Å; F104-L124 HydrophobicContact CE2-CB 3.56Å; F104-L124 HydrophobicContact CE2-CD1 3.64Å; F104-L124 HydrophobicContact CE2-CG 4.22Å; F104-L124 HydrophobicContact CZ-CD1 4.4Å; P112-L124 VanDerWaalsContact O-CD2 3.27Å; P112-L124 WeakPolarHBondContact O-CD2 3.4Å; R113-L124 HydrophobicContact CB-CD1 4.3Å; R113-L124 HydrophobicContact CG-CD1 3.96Å; N116-L124 HydrophobicContact CB-CD2 3.95Å; N116-L124 HydrophobicContact CB-CG 4.35Å; L124-L135 HydrophobicContact CD2-CD1 4.07Å; L124-L135 HydrophobicContact CD2-CD2 3.99Å; L124-W172 HydrophobicContact CB-CZ3 4.46Å
125E94.6Very high87.8Confident35 Ų3548.9 Ų48.916%0.16426%0.255CS..  trans-75.9125173.7-175-167.2149.700110.2C102 S123 R127 W172C102-E125 HydrophobicContact CB-CG 3.95Å; C102-E125 PolarHBondContact SG-OE1 3.25Å; S123-E125 PolarHBondContact O-N 2.75Å; S123-E125 WeakPolarHBondContact OG-CB 3.41Å; S123-E125 PolarHBondContact OG-N 3.41Å; E125-R127 IonicContact OE1-CZ 3.24Å; E125-R127 VanDerWaalsContact OE1-CZ 3.24Å; E125-R127 IonicContact OE1-NE 3.99Å; E125-R127 PolarHBondContact OE1-NE 3.36Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 PolarHBondContact OE1-NH2 3.2Å; E125-W172 HydrophobicContact CB-CD2 3.89Å; E125-W172 HydrophobicContact CB-CE3 3.82Å; E125-W172 HydrophobicContact CB-CH2 4.04Å; E125-W172 HydrophobicContact CB-CZ2 4.09Å; E125-W172 HydrophobicContact CB-CZ3 3.9Å; E125-W172 HydrophobicContact CG-CD2 3.93Å; E125-W172 HydrophobicContact CG-CE3 4.22Å; E125-W172 HydrophobicContact CG-CG 4.09Å
126C95Very high88.1Confident1 Ų149 Ų491%0.00726%0.256CS..BIsolated β-bridgetrans-115.1145.2174.5-61.70000111.3V103 P105 D131 V132 L135V103-C126 HydrophobicContact CG2-CB 4.11Å; V103-C126 WeakPolarHBondContact CG2-O 3.21Å; V103-C126 PolarHBondContact N-O 3.38Å; V103-C126 PolarHBondContact O-N 3.13Å; P105-C126 HydrophobicContact CG-CB 4.47Å; P105-C126 VanDerWaalsContact CG-SG 3.6Å; C126-D131 HydrophobicContact CB-CB 3.76Å; C126-V132 HydrophobicContact CB-CG2 3.84Å; C126-L135 VanDerWaalsContact SG-CD1 3.54Å
127R94.9Very high88.3Confident151 Ų15148.9 Ų48.957%0.5725%0.253SS*.SBendtrans-124.8-13.9176-60.9-175.7179.1174.42112.8E125 D131E125-R127 IonicContact OE1-CZ 3.24Å; E125-R127 VanDerWaalsContact OE1-CZ 3.24Å; E125-R127 IonicContact OE1-NE 3.99Å; E125-R127 PolarHBondContact OE1-NE 3.36Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 PolarHBondContact OE1-NH2 3.2Å; R127-D131 PolarHBondContact N-OD2 2.85Å
128S93.5Very high88.8Confident40 Ų4045.4 Ų45.428%0.2825%0.245SC..SBendtrans-137.1166.7179.670.80000111.5S130 D131 V132S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.4Å; S128-S130 PolarHBondContact OG-N 3.46Å; S128-D131 PolarHBondContact N-OD2 3.24Å; S128-D131 PolarHBondContact O-N 3.2Å; S128-D131 PolarHBondContact OG-N 3.23Å; S128-D131 PolarHBondContact OG-OD1 2.88Å; S128-D131 PolarHBondContact OG-OD2 3.03Å; S128-V132 PolarHBondContact O-N 3.44Å
129L93.2Very high89.4Confident13 Ų1343 Ų437%0.06823%0.232CC..Hα-helixtrans-63.8-34.3171.6179.360.2000111.7F88 T89 V92 D131 V132 F133F88-L129 HydrophobicContact CD1-CD1 4Å; F88-L129 HydrophobicContact CD1-CD2 3.86Å; F88-L129 HydrophobicContact CE1-CD1 3.73Å; F88-L129 HydrophobicContact CE1-CD2 4.44Å; T89-L129 HydrophobicContact CG2-CD2 4.48Å; T89-L129 VanDerWaalsContact OG1-CD2 3.28Å; T89-L129 WeakPolarHBondContact OG1-CD2 3.43Å; V92-L129 HydrophobicContact CG1-CB 4.22Å; V92-L129 HydrophobicContact CG1-CD1 4.3Å; V92-L129 HydrophobicContact CG2-CD1 4.22Å; L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 3.35Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 3.08Å; L129-V132 VanDerWaalsContact O-N 3.15Å; L129-F133 HydrophobicContact CD1-CD1 4Å; L129-F133 HydrophobicContact CD1-CD2 4.37Å; L129-F133 HydrophobicContact CD1-CE1 3.62Å; L129-F133 HydrophobicContact CD1-CE2 4.02Å; L129-F133 HydrophobicContact CD1-CG 4.38Å; L129-F133 HydrophobicContact CD1-CZ 3.63Å; L129-F133 HydrophobicContact CD2-CD2 4.49Å; L129-F133 HydrophobicContact CD2-CE2 3.7Å; L129-F133 HydrophobicContact CD2-CZ 3.76Å; L129-F133 HydrophobicContact CG-CD1 4.49Å; L129-F133 HydrophobicContact CG-CD2 3.97Å; L129-F133 HydrophobicContact CG-CE1 4.19Å; L129-F133 HydrophobicContact CG-CE2 3.63Å; L129-F133 HydrophobicContact CG-CG 4.41Å; L129-F133 HydrophobicContact CG-CZ 3.76Å; L129-F133 PolarHBondContact O-N 2.69Å
130S91.3Very high89.9Confident50 Ų5046.2 Ų46.235%0.3525%0.248SC..Hα-helixtrans-60.8-40.5176.8-54.90000111.9S128 V132 F133 L134S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.4Å; S128-S130 PolarHBondContact OG-N 3.46Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.08Å; S130-F133 PolarHBondContact O-N 2.97Å; S130-L134 WeakPolarHBondContact O-CB 3.29Å; S130-L134 PolarHBondContact O-N 2.86Å
131D92.1Very high91Very high59 Ų5939.9 Ų39.932%0.31621%0.213SC..Hα-helixtrans-63.4-40.8175.3-52.7-33.4000111.2C126 R127 S128 L129 L134 L135C126-D131 HydrophobicContact CB-CB 3.76Å; R127-D131 PolarHBondContact N-OD2 2.85Å; S128-D131 PolarHBondContact N-OD2 3.24Å; S128-D131 PolarHBondContact O-N 3.2Å; S128-D131 PolarHBondContact OG-N 3.23Å; S128-D131 PolarHBondContact OG-OD1 2.88Å; S128-D131 PolarHBondContact OG-OD2 3.03Å; L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 3.35Å; D131-L134 PolarHBondContact O-N 2.94Å; D131-L135 PolarHBondContact O-N 3.23Å
132V94.1Very high92Very high1 Ų135.1 Ų35.11%0.00619%0.187CC..Hα-helixtrans-64-47177.9176.20000110.3P105 C126 S128 L129 S130 L134 L135 F136 L167P105-V132 HydrophobicContact CB-CG1 4Å; P105-V132 HydrophobicContact CB-CG2 4.02Å; P105-V132 HydrophobicContact CG-CG1 4.46Å; P105-V132 HydrophobicContact CG-CG2 4.22Å; C126-V132 HydrophobicContact CB-CG2 3.84Å; S128-V132 PolarHBondContact O-N 3.44Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 3.08Å; L129-V132 VanDerWaalsContact O-N 3.15Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.08Å; V132-L134 PolarHBondContact O-N 3.12Å; V132-L135 PolarHBondContact O-N 3.27Å; V132-F136 HydrophobicContact CG1-CD1 4.19Å; V132-F136 HydrophobicContact CG1-CD2 4.08Å; V132-F136 HydrophobicContact CG1-CE1 4.15Å; V132-F136 HydrophobicContact CG1-CE2 4.02Å; V132-F136 HydrophobicContact CG1-CG 4.17Å; V132-F136 HydrophobicContact CG1-CZ 4.06Å; V132-F136 WeakPolarHBondContact O-CB 3.41Å; V132-F136 WeakPolarHBondContact O-CD1 3.3Å; V132-F136 WeakPolarHBondContact O-CG 3.36Å; V132-F136 PolarHBondContact O-N 2.91Å; V132-L167 HydrophobicContact CG1-CD1 3.92Å
133F92.8Very high92.8Very high19 Ų1934.1 Ų34.18%0.08318%0.178CC..Hα-helixtrans-63.9-39.3178.5-73.1-18.5000112.8V34 Y37 L38 F85 F88 L129 S130 L135 F136 K137V34-F133 HydrophobicContact CG1-CE1 3.55Å; V34-F133 HydrophobicContact CG1-CZ 3.75Å; Y37-F133 HydrophobicContact CD1-CD2 4.35Å; Y37-F133 HydrophobicContact CD1-CE2 4.21Å; Y37-F133 HydrophobicContact CD1-CZ 4.3Å; Y37-F133 HydrophobicContact CE1-CB 4.31Å; Y37-F133 HydrophobicContact CE1-CD1 4.4Å; Y37-F133 AromaticContact CE1-CD2 3.67Å; Y37-F133 HydrophobicContact CE1-CD2 3.67Å; Y37-F133 AromaticContact CE1-CE2 3.94Å; Y37-F133 HydrophobicContact CE1-CE2 3.94Å; Y37-F133 AromaticContact CE1-CG 3.91Å; Y37-F133 HydrophobicContact CE1-CG 3.91Å; Y37-F133 HydrophobicContact CE1-CZ 4.41Å; L38-F133 HydrophobicContact CD2-CD1 3.95Å; L38-F133 HydrophobicContact CD2-CE1 4.37Å; F85-F133 AromaticContact CD2-CE2 3.71Å; F85-F133 HydrophobicContact CD2-CE2 3.71Å; F85-F133 AromaticContact CD2-CZ 3.91Å; F85-F133 HydrophobicContact CD2-CZ 3.91Å; F85-F133 AromaticContact CE2-CE2 3.89Å; F85-F133 HydrophobicContact CE2-CE2 3.89Å; F85-F133 HydrophobicContact CE2-CZ 4.08Å; F88-F133 HydrophobicContact CE1-CE1 4.49Å; L129-F133 HydrophobicContact CD1-CD1 4Å; L129-F133 HydrophobicContact CD1-CD2 4.37Å; L129-F133 HydrophobicContact CD1-CE1 3.62Å; L129-F133 HydrophobicContact CD1-CE2 4.02Å; L129-F133 HydrophobicContact CD1-CG 4.38Å; L129-F133 HydrophobicContact CD1-CZ 3.63Å; L129-F133 HydrophobicContact CD2-CD2 4.49Å; L129-F133 HydrophobicContact CD2-CE2 3.7Å; L129-F133 HydrophobicContact CD2-CZ 3.76Å; L129-F133 HydrophobicContact CG-CD1 4.49Å; L129-F133 HydrophobicContact CG-CD2 3.97Å; L129-F133 HydrophobicContact CG-CE1 4.19Å; L129-F133 HydrophobicContact CG-CE2 3.63Å; L129-F133 HydrophobicContact CG-CG 4.41Å; L129-F133 HydrophobicContact CG-CZ 3.76Å; L129-F133 PolarHBondContact O-N 2.69Å; S130-F133 PolarHBondContact O-N 2.97Å; F133-L135 VanDerWaalsContact C-N 3.34Å; F133-L135 PolarHBondContact O-N 2.89Å; F133-F136 PolarHBondContact O-N 2.9Å; F133-K137 WeakPolarHBondContact O-CB 3.36Å; F133-K137 PolarHBondContact O-N 3.44Å
134L91.1Very high93.2Very high35 Ų3535.5 Ų35.518%0.18318%0.182CC..Hα-helixtrans-55.7-49.9174.5-176.564.9000111.1L44 V46 I118 S130 D131 V132 S138L44-L134 HydrophobicContact CD1-CD1 4.16Å; L44-L134 HydrophobicContact CD2-CD1 4Å; V46-L134 HydrophobicContact CG2-CD1 4.28Å; I118-L134 HydrophobicContact CG1-CD1 3.71Å; I118-L134 HydrophobicContact CG1-CG 4.14Å; I118-L134 HydrophobicContact CG2-CD1 4.38Å; I118-L134 HydrophobicContact CG2-CG 3.98Å; S130-L134 WeakPolarHBondContact O-CB 3.29Å; S130-L134 PolarHBondContact O-N 2.86Å; D131-L134 PolarHBondContact O-N 2.94Å; V132-L134 PolarHBondContact O-N 3.12Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.3Å; L134-S138 PolarHBondContact O-OG 3.44Å
135L92.9Very high93.3Very high4 Ų434.5 Ų34.52%0.02118%0.177CC..Hα-helixtrans-68.7-42.1179-68.6179.3000112.7P105 P112 A115 I118 A119 L124 C126 D131 V132 F133 S138 S139P105-L135 HydrophobicContact CG-CD1 4.31Å; P112-L135 HydrophobicContact CB-CB 4.1Å; P112-L135 HydrophobicContact CG-CB 3.89Å; P112-L135 HydrophobicContact CG-CD1 4.29Å; A115-L135 HydrophobicContact CB-CD2 4.31Å; A115-L135 WeakPolarHBondContact CB-O 3.42Å; I118-L135 HydrophobicContact CG2-CD2 4.28Å; A119-L135 HydrophobicContact CB-CD2 4.13Å; L124-L135 HydrophobicContact CD2-CD1 4.07Å; L124-L135 HydrophobicContact CD2-CD2 3.99Å; C126-L135 VanDerWaalsContact SG-CD1 3.54Å; D131-L135 PolarHBondContact O-N 3.23Å; V132-L135 PolarHBondContact O-N 3.27Å; F133-L135 VanDerWaalsContact C-N 3.34Å; F133-L135 PolarHBondContact O-N 2.89Å; L135-S138 PolarHBondContact O-N 3.47Å; L135-S139 WeakPolarHBondContact O-CB 3.39Å; L135-S139 PolarHBondContact O-N 3.27Å
136F94.5Very high93.3Very high3 Ų333.5 Ų33.51%0.01317%0.173CC..Hα-helixtrans-70.6-42.4-173-83.222.5000112.3L38 P105 L107 P112 V132 F133 S138 S139 I142 L167L38-F136 HydrophobicContact CD1-CD2 4.09Å; L38-F136 HydrophobicContact CD2-CB 3.79Å; P105-F136 HydrophobicContact CB-CE1 3.66Å; P105-F136 HydrophobicContact CB-CZ 3.81Å; P105-F136 HydrophobicContact CG-CE1 3.88Å; L107-F136 HydrophobicContact CD2-CD2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 3.63Å; L107-F136 HydrophobicContact CD2-CZ 4.38Å; L107-F136 HydrophobicContact CG-CD2 4.48Å; L107-F136 HydrophobicContact CG-CE2 3.91Å; L107-F136 HydrophobicContact CG-CZ 4.36Å; P112-F136 HydrophobicContact CB-CD1 4.21Å; P112-F136 HydrophobicContact CG-CD1 3.93Å; P112-F136 HydrophobicContact CG-CE1 3.87Å; V132-F136 HydrophobicContact CG1-CD1 4.19Å; V132-F136 HydrophobicContact CG1-CD2 4.08Å; V132-F136 HydrophobicContact CG1-CE1 4.15Å; V132-F136 HydrophobicContact CG1-CE2 4.02Å; V132-F136 HydrophobicContact CG1-CG 4.17Å; V132-F136 HydrophobicContact CG1-CZ 4.06Å; V132-F136 WeakPolarHBondContact O-CB 3.41Å; V132-F136 WeakPolarHBondContact O-CD1 3.3Å; V132-F136 WeakPolarHBondContact O-CG 3.36Å; V132-F136 PolarHBondContact O-N 2.91Å; F133-F136 PolarHBondContact O-N 2.9Å; F136-S138 PolarHBondContact O-N 2.87Å; F136-S139 PolarHBondContact O-N 3.17Å; F136-I142 HydrophobicContact CB-CG1 4.5Å; F136-I142 HydrophobicContact CB-CG2 3.97Å; F136-I142 HydrophobicContact CD1-CD1 4.37Å; F136-I142 HydrophobicContact CD1-CG1 3.99Å; F136-I142 HydrophobicContact CD2-CG2 4.12Å; F136-I142 HydrophobicContact CE1-CD1 4.25Å; F136-I142 HydrophobicContact CE1-CG1 4.37Å; F136-I142 HydrophobicContact CG-CG1 4.17Å; F136-I142 HydrophobicContact CG-CG2 4.03Å; F136-L167 HydrophobicContact CE2-CD1 3.64Å; F136-L167 HydrophobicContact CZ-CD1 3.67Å
137K91.6Very high93.3Very high38 Ų3836.9 Ų36.917%0.16519%0.193CC..Hα-helixtrans-70.3-19.3177-72.5-169.965.566.60113.2Y37 L38 D40 L44 F133Y37-K137 HydrophobicContact CD1-CD 4.47Å; Y37-K137 HydrophobicContact CE1-CD 3.8Å; Y37-K137 HydrophobicContact CE2-CD 4.28Å; Y37-K137 PolarHBondContact O-NZ 3.33Å; L38-K137 HydrophobicContact CD2-CG 3.79Å; L38-K137 PolarHBondContact O-NZ 3.37Å; D40-K137 PolarHBondContact O-NZ 3.49Å; L44-K137 HydrophobicContact CD1-CB 3.5Å; L44-K137 HydrophobicContact CD1-CD 3.71Å; L44-K137 HydrophobicContact CD1-CG 4.05Å; L44-K137 HydrophobicContact CG-CD 4Å; F133-K137 WeakPolarHBondContact O-CB 3.36Å; F133-K137 PolarHBondContact O-N 3.44Å
138S90.7Very high93.1Very high32 Ų3234.6 Ų34.622%0.22419%0.189CC..THydrogen-bonded Turntrans-10010.5178.2-59.90000113.7A115 L134 L135 F136A115-S138 WeakPolarHBondContact CB-O 3.39Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.3Å; L134-S138 PolarHBondContact O-OG 3.44Å; L135-S138 PolarHBondContact O-N 3.47Å; F136-S138 PolarHBondContact O-N 2.87Å
139S93.6Very high93.1Very high1 Ų133.4 Ų33.41%0.00718%0.18CC..  trans-113121.1-177.8174.50000111.6P112 D114 L135 F136 F141 I142 T143P112-S139 WeakPolarHBondContact CA-OG 3.35Å; D114-S139 VanDerWaalsContact CG-OG 3.28Å; D114-S139 WeakPolarHBondContact OD1-CB 3.41Å; D114-S139 PolarHBondContact OD1-OG 3.1Å; D114-S139 WeakPolarHBondContact OD2-CA 3.18Å; D114-S139 PolarHBondContact OD2-OG 3.27Å; L135-S139 WeakPolarHBondContact O-CB 3.39Å; L135-S139 PolarHBondContact O-N 3.27Å; F136-S139 PolarHBondContact O-N 3.17Å; S139-F141 VanDerWaalsContact C-N 3.26Å; S139-F141 PolarHBondContact O-N 2.85Å; S139-F141 PolarHBondContact OG-N 2.92Å; S139-I142 PolarHBondContact O-N 3.29Å; S139-I142 WeakPolarHBondContact OG-CG1 3.37Å; S139-I142 PolarHBondContact OG-N 3.05Å; S139-I142 VanDerWaalsContact OG-N 3.13Å; S139-T143 PolarHBondContact O-N 2.93Å; S139-T143 VanDerWaalsContact O-N 3.1Å; S139-T143 PolarHBondContact O-OG1 2.78Å; S139-T143 VanDerWaalsContact O-OG1 3.14Å
140D91.7Very high93.1Very high80 Ų8033.6 Ų33.643%0.42818%0.181SC..Hα-helixtrans-65.9-32.6169.8-72.8-22000111.1D114 T143 H144 Y308D114-D140 WeakPolarHBondContact OD2-CA 3.25Å; D114-D140 PolarHBondContact OD2-N 2.81Å; D140-T143 PolarHBondContact O-N 2.68Å; D140-H144 WeakPolarHBondContact O-CB 3.25Å; D140-H144 PolarHBondContact O-N 2.8Å; D140-Y308 HydrophobicContact CB-CD1 3.96Å; D140-Y308 HydrophobicContact CB-CE1 4.01Å; D140-Y308 VanDerWaalsContact OD2-CD1 3.26Å; D140-Y308 WeakPolarHBondContact OD2-CD1 3.3Å
141F94.2Very high93Very high50 Ų5034.9 Ų34.922%0.21918%0.183CC..Hα-helixtrans-64-40.5175.5-63.1-24.9000112.5D114 S139 H144 D145 Y308D114-F141 HydrophobicContact CB-CD2 3.91Å; D114-F141 HydrophobicContact CB-CE2 3.76Å; D114-F141 HydrophobicContact CB-CG 4.46Å; D114-F141 HydrophobicContact CB-CZ 4.19Å; D114-F141 VanDerWaalsContact CG-CD2 3.46Å; D114-F141 WeakPolarHBondContact OD1-CD2 3.21Å; D114-F141 PolarHBondContact OD2-N 2.96Å; D114-F141 VanDerWaalsContact OD2-N 3.09Å; S139-F141 VanDerWaalsContact C-N 3.26Å; S139-F141 PolarHBondContact O-N 2.85Å; S139-F141 PolarHBondContact OG-N 2.92Å; F141-H144 PolarHBondContact O-N 2.84Å; F141-D145 PolarHBondContact O-N 2.86Å; F141-D145 VanDerWaalsContact O-N 3.11Å; F141-Y308 HydrophobicContact CE1-CE1 4.06Å; F141-Y308 HydrophobicContact CE1-CE2 4.43Å; F141-Y308 AromaticContact CE1-CZ 3.73Å; F141-Y308 WeakPolarHBondContact CE1-OH 3.27Å; F141-Y308 HydrophobicContact CZ-CE2 4.25Å
142I95.8Very high92.8Very high1 Ų137 Ų371%0.00519%0.191CC..Hα-helixtrans-67.9-42.4174.9-63.3-45.8000110.5L107 S110 P112 F136 S139 H144 D145 L146L107-I142 HydrophobicContact CB-CD1 4.29Å; L107-I142 HydrophobicContact CD1-CB 4.37Å; L107-I142 HydrophobicContact CD1-CD1 4.21Å; L107-I142 HydrophobicContact CD1-CG2 3.53Å; L107-I142 HydrophobicContact CG-CD1 3.98Å; L107-I142 HydrophobicContact CG-CG2 4.18Å; S110-I142 WeakPolarHBondContact O-CD1 3.42Å; P112-I142 HydrophobicContact CB-CD1 4.39Å; P112-I142 HydrophobicContact CB-CG1 3.9Å; F136-I142 HydrophobicContact CB-CG1 4.5Å; F136-I142 HydrophobicContact CB-CG2 3.97Å; F136-I142 HydrophobicContact CD1-CD1 4.37Å; F136-I142 HydrophobicContact CD1-CG1 3.99Å; F136-I142 HydrophobicContact CD2-CG2 4.12Å; F136-I142 HydrophobicContact CE1-CD1 4.25Å; F136-I142 HydrophobicContact CE1-CG1 4.37Å; F136-I142 HydrophobicContact CG-CG1 4.17Å; F136-I142 HydrophobicContact CG-CG2 4.03Å; S139-I142 PolarHBondContact O-N 3.29Å; S139-I142 WeakPolarHBondContact OG-CG1 3.37Å; S139-I142 PolarHBondContact OG-N 3.05Å; S139-I142 VanDerWaalsContact OG-N 3.13Å; I142-H144 VanDerWaalsContact C-N 3.33Å; I142-H144 PolarHBondContact O-N 2.78Å; I142-D145 WeakPolarHBondContact O-CB 3.29Å; I142-D145 PolarHBondContact O-N 2.73Å; I142-L146 HydrophobicContact CG2-CD1 4.36Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.36Å; I142-L146 VanDerWaalsContact O-N 3.13Å
143T94.2Very high92.6Very high56 Ų5637.1 Ų37.134%0.34419%0.192SC..Hα-helixtrans-60.3-42.2175.4-60.50000112S139 D140 L146 T147S139-T143 PolarHBondContact O-N 2.93Å; S139-T143 VanDerWaalsContact O-N 3.1Å; S139-T143 PolarHBondContact O-OG1 2.78Å; S139-T143 VanDerWaalsContact O-OG1 3.14Å; D140-T143 PolarHBondContact O-N 2.68Å; T143-L146 PolarHBondContact O-N 3.2Å; T143-T147 HydrophobicContact CG2-CG2 4.3Å; T143-T147 WeakPolarHBondContact O-CB 3.31Å; T143-T147 WeakPolarHBondContact O-CG2 3.43Å; T143-T147 PolarHBondContact O-N 3.29Å; T143-T147 PolarHBondContact O-OG1 3.48Å
144H93.8Very high92.4Very high53 Ų5340.6 Ų40.625%0.24522%0.219CC..Hα-helixtrans-60.5-46.7175.4174.1-81.7000111.7D140 F141 I142 L146 T147 Q148D140-H144 WeakPolarHBondContact O-CB 3.25Å; D140-H144 PolarHBondContact O-N 2.8Å; F141-H144 PolarHBondContact O-N 2.84Å; I142-H144 VanDerWaalsContact C-N 3.33Å; I142-H144 PolarHBondContact O-N 2.78Å; H144-L146 VanDerWaalsContact C-N 3.26Å; H144-L146 PolarHBondContact O-N 3.44Å; H144-T147 PolarHBondContact O-N 3.38Å; H144-Q148 PolarHBondContact NE2-O 2.64Å; H144-Q148 CarbonylContact O-C 3.4Å; H144-Q148 PolarHBondContact O-N 3.38Å
145D94.7Very high92.4Very high3 Ų341 Ų412%0.01622%0.221CC..Hα-helixtrans-55.4-41.7176.5-86.523.7000111.8L107 W109 S110 F141 I142 Y165L107-D145 HydrophobicContact CB-CB 4.47Å; L107-D145 HydrophobicContact CD1-CB 4.01Å; W109-D145 HydrophobicContact CE3-CB 4.09Å; W109-D145 HydrophobicContact CZ3-CB 4.47Å; W109-D145 PolarHBondContact N-OD2 2.88Å; S110-D145 VanDerWaalsContact CB-OD1 3.25Å; S110-D145 WeakPolarHBondContact CB-OD1 3.21Å; S110-D145 WeakPolarHBondContact CB-OD2 3.28Å; S110-D145 PolarHBondContact N-OD2 2.84Å; S110-D145 PolarHBondContact OG-OD1 3.19Å; F141-D145 PolarHBondContact O-N 2.86Å; F141-D145 VanDerWaalsContact O-N 3.11Å; I142-D145 WeakPolarHBondContact O-CB 3.29Å; I142-D145 PolarHBondContact O-N 2.73Å; D145-Y165 VanDerWaalsContact O-CE1 3.27Å; D145-Y165 WeakPolarHBondContact O-CE1 3.14Å; D145-Y165 PolarHBondContact O-OH 2.99Å
146L94.8Very high92.1Very high14 Ų1446.9 Ų46.97%0.07325%0.248CC..Hα-helixtrans-78.4-29.3-176.7-66.8176.9000114.2I35 L38 L39 L107 I142 T143 H144 Y165I35-L146 HydrophobicContact CG2-CD2 4.31Å; L38-L146 HydrophobicContact CB-CD1 4.01Å; L38-L146 HydrophobicContact CD1-CD1 4.22Å; L39-L146 HydrophobicContact CD2-CB 3.89Å; L39-L146 HydrophobicContact CD2-CD1 4.03Å; L39-L146 HydrophobicContact CG-CD1 4.23Å; L107-L146 HydrophobicContact CD1-CD1 4.33Å; L107-L146 HydrophobicContact CD1-CD2 3.76Å; L107-L146 HydrophobicContact CD1-CG 3.78Å; I142-L146 HydrophobicContact CG2-CD1 4.36Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.36Å; I142-L146 VanDerWaalsContact O-N 3.13Å; T143-L146 PolarHBondContact O-N 3.2Å; H144-L146 VanDerWaalsContact C-N 3.26Å; H144-L146 PolarHBondContact O-N 3.44Å; L146-Y165 HydrophobicContact CD2-CD1 3.7Å; L146-Y165 HydrophobicContact CD2-CD2 4.09Å; L146-Y165 HydrophobicContact CD2-CE1 3.88Å; L146-Y165 HydrophobicContact CD2-CE2 4.21Å; L146-Y165 HydrophobicContact CD2-CG 3.81Å; L146-Y165 PolarHBondContact O-OH 3.19Å
147T93.4Very high91.8Very high72 Ų7255 Ų5544%0.44229%0.291SS..Hα-helixtrans-111-36.2-168.760.10000114L39 T143 H144L39-T147 HydrophobicContact CD2-CG2 3.56Å; T143-T147 HydrophobicContact CG2-CG2 4.3Å; T143-T147 WeakPolarHBondContact O-CB 3.31Å; T143-T147 WeakPolarHBondContact O-CG2 3.43Å; T143-T147 PolarHBondContact O-N 3.29Å; T143-T147 PolarHBondContact O-OG1 3.48Å; H144-T147 PolarHBondContact O-N 3.38Å
148Q92.1Very high91.6Very high102 Ų10255.2 Ų55.248%0.47730%0.298SS..  trans-140.640.7-168.3-63.8-172.4-6.200114.5H144 F150 L151H144-Q148 PolarHBondContact NE2-O 2.64Å; H144-Q148 CarbonylContact O-C 3.4Å; H144-Q148 PolarHBondContact O-N 3.38Å; Q148-F150 PolarHBondContact O-N 2.79Å; Q148-L151 HydrophobicContact CB-CB 4.27Å; Q148-L151 WeakPolarHBondContact O-CB 3.45Å; Q148-L151 PolarHBondContact O-N 2.94Å
149P92.1Very high91.5Very high16 Ų1659.3 Ų59.310%0.10432%0.324CS..THydrogen-bonded Turntrans-62.8-21.7-173.826.6-35.5000114.3W109W109-P149 HydrophobicContact CE3-CB 4.29Å; W109-P149 HydrophobicContact CH2-CB 3.79Å; W109-P149 HydrophobicContact CH2-CG 4.33Å; W109-P149 HydrophobicContact CZ3-CB 3.62Å; W109-P149 HydrophobicContact CZ3-CG 4.31Å
150F93Very high91.4Very high16 Ų1664.2 Ų64.27%0.0735%0.35CS..THydrogen-bonded Turntrans-106.67.3-176.7-55.3-65.1000114.6K3 V6 V7 Q148 H152 C153 D160 P161 I163K3-F150 HydrophobicContact CB-CD1 3.95Å; K3-F150 HydrophobicContact CB-CE1 4.19Å; K3-F150 HydrophobicContact CD-CB 4.41Å; K3-F150 HydrophobicContact CD-CD1 4.43Å; K3-F150 HydrophobicContact CD-CG 4.36Å; K3-F150 HydrophobicContact CG-CB 4.22Å; K3-F150 HydrophobicContact CG-CD1 3.85Å; K3-F150 HydrophobicContact CG-CG 4.17Å; V6-F150 HydrophobicContact CB-CD1 4.07Å; V6-F150 HydrophobicContact CB-CE1 3.92Å; V6-F150 HydrophobicContact CG1-CD1 4.1Å; V6-F150 HydrophobicContact CG1-CE1 3.88Å; V6-F150 HydrophobicContact CG2-CD1 4.29Å; V7-F150 HydrophobicContact CG2-CE1 4.24Å; V7-F150 HydrophobicContact CG2-CZ 4.36Å; Q148-F150 PolarHBondContact O-N 2.79Å; F150-H152 VanDerWaalsContact C-N 3.26Å; F150-H152 PolarHBondContact O-N 2.78Å; F150-H152 VanDerWaalsContact O-N 3.13Å; F150-C153 VanDerWaalsContact O-CB 3.26Å; F150-C153 WeakPolarHBondContact O-CB 3.33Å; F150-C153 PolarHBondContact O-N 2.8Å; F150-C153 PolarHBondContact O-SG 3.22Å; F150-C153 VanDerWaalsContact O-SG 3.38Å; F150-D160 HydrophobicContact CD2-CB 4.06Å; F150-D160 HydrophobicContact CE2-CB 4.22Å; F150-P161 HydrophobicContact CE1-CG 4.25Å; F150-P161 HydrophobicContact CZ-CB 4.16Å; F150-P161 HydrophobicContact CZ-CG 3.94Å; F150-I163 HydrophobicContact CE2-CG1 4.07Å; F150-I163 HydrophobicContact CZ-CD1 3.92Å; F150-I163 HydrophobicContact CZ-CG1 3.84Å
151L89.8Confident91.4Very high78 Ų7862.6 Ų62.641%0.40834%0.344SS..THydrogen-bonded Turntrans-51-43.9-172.3-177.465.8000113.4Q148 C153 Q156Q148-L151 HydrophobicContact CB-CB 4.27Å; Q148-L151 WeakPolarHBondContact O-CB 3.45Å; Q148-L151 PolarHBondContact O-N 2.94Å; L151-C153 VanDerWaalsContact C-N 3.35Å; L151-C153 PolarHBondContact O-N 2.83Å; L151-Q156 PolarHBondContact O-NE2 3.48Å
152H87.2Confident91.2Very high104 Ų10467 Ų6748%0.48138%0.375SS..THydrogen-bonded Turntrans-91.713-176.5-58.3-70.5000114.2F150 V256F150-H152 VanDerWaalsContact C-N 3.26Å; F150-H152 PolarHBondContact O-N 2.78Å; F150-H152 VanDerWaalsContact O-N 3.13Å; H152-V256 HydrophobicContact CB-CB 4.34Å
153C90.4Very high91.1Very high3 Ų368.3 Ų68.32%0.0238%0.382CS..  trans-76.3140.2175.3-64.60000111M1 K3 F150 L151 D155 Q156M1-C153 VanDerWaalsContact CE-SG 3.56Å; M1-C153 CarbonylContact O-C 3.46Å; M1-C153 WeakPolarHBondContact O-CA 3.38Å; K3-C153 HydrophobicContact CG-CB 3.67Å; F150-C153 VanDerWaalsContact O-CB 3.26Å; F150-C153 WeakPolarHBondContact O-CB 3.33Å; F150-C153 PolarHBondContact O-N 2.8Å; F150-C153 PolarHBondContact O-SG 3.22Å; F150-C153 VanDerWaalsContact O-SG 3.38Å; L151-C153 VanDerWaalsContact C-N 3.35Å; L151-C153 PolarHBondContact O-N 2.83Å; C153-D155 VanDerWaalsContact C-N 3.33Å; C153-D155 WeakPolarHBondContact CB-OD1 3.44Å; C153-Q156 WeakPolarHBondContact O-CG 3.47Å
154S89.6Confident91.2Very high92 Ų9270.4 Ų70.464%0.64340%0.398SS*.SBendtrans-75.8-21.2179.352.90000113.7M1 Q156M1-S154 PolarHBondContact O-N 2.95Å; M1-S154 PolarHBondContact O-OG 3.19Å; M1-S154 VanDerWaalsContact O-OG 3.1Å; S154-Q156 VanDerWaalsContact C-N 3.35Å; S154-Q156 PolarHBondContact O-N 3.5Å
155D90.9Very high91.3Very high44 Ų4469.8 Ų69.824%0.23539%0.394CS..  trans-96.346.2-177.153.2-27.4000111.9K2 K3 C153 D157 S158K2-D155 VanDerWaalsContact CA-OD1 3.28Å; K2-D155 WeakPolarHBondContact CA-OD1 3.36Å; K3-D155 VanDerWaalsContact CE-O 3.23Å; K3-D155 WeakPolarHBondContact CE-O 3.23Å; K3-D155 PolarHBondContact N-OD1 3.25Å; K3-D155 PolarHBondContact N-OD2 3.05Å; K3-D155 PolarHBondContact NZ-O 3.22Å; C153-D155 VanDerWaalsContact C-N 3.33Å; C153-D155 WeakPolarHBondContact CB-OD1 3.44Å; D155-D157 PolarHBondContact O-N 3.33Å; D155-S158 WeakPolarHBondContact O-CB 3.35Å; D155-S158 PolarHBondContact O-N 3.45Å; D155-S158 VanDerWaalsContact O-N 3.1Å; D155-S158 PolarHBondContact O-OG 3.43Å
156Q85.9Confident91.4Very high127 Ų12770.3 Ų70.359%0.59340%0.396SS*.THydrogen-bonded Turntrans-59.3-30.5-179-63.7-170.6-10.900113.1K3 L151 C153 S154 S158K3-Q156 PolarHBondContact NZ-O 3.32Å; L151-Q156 PolarHBondContact O-NE2 3.48Å; C153-Q156 WeakPolarHBondContact O-CG 3.47Å; S154-Q156 VanDerWaalsContact C-N 3.35Å; S154-Q156 PolarHBondContact O-N 3.5Å; Q156-S158 PolarHBondContact O-N 2.76Å
157D87.6Confident91.6Very high172 Ų17269.7 Ų69.792%0.9239%0.393SS*.THydrogen-bonded Turntrans-65.5-18.1178.3-62.1-42000113.7D155D155-D157 PolarHBondContact O-N 3.33Å
158S87.9Confident91.8Very high43 Ų4366.3 Ų66.330%0.30137%0.372SS..SBendtrans-81.1149176.3700000111K3 D155 Q156K3-S158 PolarHBondContact NZ-O 3.1Å; D155-S158 WeakPolarHBondContact O-CB 3.35Å; D155-S158 PolarHBondContact O-N 3.45Å; D155-S158 VanDerWaalsContact O-N 3.1Å; D155-S158 PolarHBondContact O-OG 3.43Å; Q156-S158 PolarHBondContact O-N 2.76Å
159P89.6Confident92.1Very high119 Ų11961.4 Ų61.477%0.77335%0.35SS*.PPolyproline II helixtrans-63.1141.517528-34.2000110.5
160D90.8Very high92.4Very high103 Ų10361.2 Ų61.255%0.55135%0.347SS*.PPolyproline II helixtrans-63.6135.5176-72.1-28000111.1K3 F150K3-D160 WeakPolarHBondContact CE-OD1 3.28Å; K3-D160 IonicContact NZ-OD1 2.82Å; K3-D160 PolarHBondContact NZ-OD1 2.64Å; F150-D160 HydrophobicContact CD2-CB 4.06Å; F150-D160 HydrophobicContact CE2-CB 4.22Å
161P91.8Very high92.7Very high47 Ų4765.5 Ų65.531%0.30537%0.365SS..PPolyproline II helixtrans-58.1141.8170.6-23.132.4000111.6K3 V7 F150 I163K3-P161 HydrophobicContact CB-CG 4.26Å; V7-P161 HydrophobicContact CG2-CB 3.96Å; V7-P161 HydrophobicContact CG2-CG 3.9Å; F150-P161 HydrophobicContact CE1-CG 4.25Å; F150-P161 HydrophobicContact CZ-CB 4.16Å; F150-P161 HydrophobicContact CZ-CG 3.94Å; P161-I163 HydrophobicContact CB-CD1 4.42Å; P161-I163 PolarHBondContact O-N 3.31Å
162V90.1Very high93Very high143 Ų14364.8 Ų64.887%0.86736%0.357SS*.PPolyproline II helixtrans-72.4116.1171.7-179.70000108.7
163I93.9Very high93.2Very high28 Ų2861.9 Ų61.914%0.14435%0.351CS..PPolyproline II helixtrans-98132.4179.2-61.3-56.9000110.3V7 W109 F150 P161 Y165V7-I163 HydrophobicContact CG2-CD1 4.15Å; W109-I163 HydrophobicContact CH2-CD1 4.27Å; W109-I163 HydrophobicContact CH2-CG1 4.11Å; W109-I163 HydrophobicContact CH2-CG2 3.92Å; W109-I163 HydrophobicContact CZ2-CD1 4.36Å; F150-I163 HydrophobicContact CE2-CG1 4.07Å; F150-I163 HydrophobicContact CZ-CD1 3.92Å; F150-I163 HydrophobicContact CZ-CG1 3.84Å; P161-I163 HydrophobicContact CB-CD1 4.42Å; P161-I163 PolarHBondContact O-N 3.31Å; I163-Y165 HydrophobicContact CG2-CD1 3.98Å; I163-Y165 HydrophobicContact CG2-CE1 3.86Å; I163-Y165 HydrophobicContact CG2-CG 4.36Å
164S94.9Very high93.2Very high99 Ų9969.8 Ų69.869%0.69239%0.388SS*.  trans-95.6108.6165.3-62.30000107.8N108N108-S164 PolarHBondContact ND2-O 3.06Å; N108-S164 VanDerWaalsContact ND2-O 3.07Å
165Y97Very high93.4Very high41 Ų4167.8 Ų67.816%0.16137%0.37CS..  trans-69.2143.4179.8-68.3-70.7000111.3L30 I35 N108 W109 D145 L146 I163L30-Y165 WeakPolarHBondContact CB-O 3.37Å; L30-Y165 PolarHBondContact N-O 3.4Å; I35-Y165 HydrophobicContact CD1-CD2 3.77Å; I35-Y165 HydrophobicContact CD1-CG 4.32Å; N108-Y165 WeakPolarHBondContact OD1-CA 3.38Å; W109-Y165 HydrophobicContact CZ3-CE1 4.17Å; D145-Y165 VanDerWaalsContact O-CE1 3.27Å; D145-Y165 WeakPolarHBondContact O-CE1 3.14Å; D145-Y165 PolarHBondContact O-OH 2.99Å; L146-Y165 HydrophobicContact CD2-CD1 3.7Å; L146-Y165 HydrophobicContact CD2-CD2 4.09Å; L146-Y165 HydrophobicContact CD2-CE1 3.88Å; L146-Y165 HydrophobicContact CD2-CE2 4.21Å; L146-Y165 HydrophobicContact CD2-CG 3.81Å; L146-Y165 PolarHBondContact O-OH 3.19Å; I163-Y165 HydrophobicContact CG2-CD1 3.98Å; I163-Y165 HydrophobicContact CG2-CE1 3.86Å; I163-Y165 HydrophobicContact CG2-CG 4.36Å
166E97.1Very high93.4Very high13 Ų1370.8 Ų70.86%0.06139%0.385CS..EExtended strand (participates in β ladder)trans-132.1138.1-175.865.2-166.3-162.800111.2F11 S12 I27 L28 L107 N108 V168F11-E166 WeakPolarHBondContact CB-OE1 3.27Å; S12-E166 WeakPolarHBondContact CB-OE2 3.37Å; S12-E166 PolarHBondContact N-OE1 3.27Å; S12-E166 PolarHBondContact OG-OE1 2.87Å; S12-E166 PolarHBondContact OG-OE2 3.2Å; I27-E166 HydrophobicContact CG2-CB 3.76Å; I27-E166 HydrophobicContact CG2-CG 4.05Å; I27-E166 WeakPolarHBondContact CG2-OE2 3.23Å; L28-E166 CarbonylContact O-C 3.58Å; L28-E166 WeakPolarHBondContact O-CA 3.44Å; L107-E166 WeakPolarHBondContact CA-O 3.37Å; L107-E166 VanDerWaalsContact CD2-O 3.32Å; L107-E166 WeakPolarHBondContact CD2-O 3.49Å; N108-E166 HydrophobicContact CB-CG 4.37Å; N108-E166 PolarHBondContact OD1-N 2.94Å; E166-V168 HydrophobicContact CG-CG2 3.95Å
167L98.3Very high93.7Very high2 Ų267.4 Ų67.41%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-88.7111.9164.3173.261.7000108.3L28 L30 F88 V92 P105 V132 F136 L169L28-L167 HydrophobicContact CB-CB 4.39Å; L28-L167 HydrophobicContact CD1-CD2 4.45Å; L28-L167 PolarHBondContact N-O 3.37Å; L28-L167 PolarHBondContact O-N 3.41Å; L30-L167 HydrophobicContact CD1-CB 4.29Å; F88-L167 HydrophobicContact CE1-CD2 4.14Å; F88-L167 HydrophobicContact CZ-CB 4.28Å; F88-L167 HydrophobicContact CZ-CD2 3.61Å; V92-L167 HydrophobicContact CG2-CD2 3.7Å; P105-L167 HydrophobicContact CB-CD1 4.23Å; V132-L167 HydrophobicContact CG1-CD1 3.92Å; F136-L167 HydrophobicContact CE2-CD1 3.64Å; F136-L167 HydrophobicContact CZ-CD1 3.67Å; L167-L169 HydrophobicContact CD1-CD2 3.85Å; L167-L169 HydrophobicContact CD2-CD2 4.07Å; L167-L169 HydrophobicContact CD2-CG 4.44Å; L167-L169 HydrophobicContact CG-CD2 3.85Å; L167-L169 HydrophobicContact CG-CG 4.18Å
168V98.4Very high94Very high0 Ų059.2 Ų59.20%033%0.33CS..EExtended strand (participates in β ladder)trans-94.5118.5174.4-176.70000108.9F11 P105 K106 E166 R170F11-V168 HydrophobicContact CB-CG2 3.73Å; F11-V168 HydrophobicContact CD1-CB 4.28Å; F11-V168 HydrophobicContact CD1-CG1 3.5Å; F11-V168 VanDerWaalsContact CD1-CG1 3.5Å; F11-V168 HydrophobicContact CD1-CG2 3.73Å; F11-V168 HydrophobicContact CD2-CG1 3.91Å; F11-V168 HydrophobicContact CD2-CG2 4.41Å; F11-V168 HydrophobicContact CE1-CG1 3.44Å; F11-V168 VanDerWaalsContact CE1-CG1 3.44Å; F11-V168 HydrophobicContact CE2-CG1 3.86Å; F11-V168 HydrophobicContact CG-CB 4.34Å; F11-V168 HydrophobicContact CG-CG1 3.77Å; F11-V168 HydrophobicContact CG-CG2 3.7Å; F11-V168 HydrophobicContact CZ-CG1 3.66Å; P105-V168 CarbonylContact C-O 3.54Å; P105-V168 WeakPolarHBondContact CA-O 3.33Å; K106-V168 HydrophobicContact CG-CB 3.68Å; K106-V168 HydrophobicContact CG-CG1 4.01Å; K106-V168 HydrophobicContact CG-CG2 4.28Å; K106-V168 PolarHBondContact N-O 3.12Å; K106-V168 WeakPolarHBondContact O-CB 3.34Å; K106-V168 PolarHBondContact O-N 3.48Å; E166-V168 HydrophobicContact CG-CG2 3.95Å; V168-R170 HydrophobicContact CG1-CG 4Å
169L98.5Very high94.4Very high0 Ų057.6 Ų57.60%032%0.32CS..EExtended strand (participates in β ladder)trans-103.1110.7172-58.5-177.3000108.9S25 L26 L28 V92 A95 I96 L99 V103 P105 L167S25-L169 CarbonylContact C-O 3.57Å; S25-L169 WeakPolarHBondContact CA-O 3.32Å; L26-L169 PolarHBondContact N-O 3.5Å; L26-L169 PolarHBondContact O-N 3.38Å; L28-L169 HydrophobicContact CD1-CD1 3.96Å; V92-L169 HydrophobicContact CG1-CD1 4.23Å; A95-L169 HydrophobicContact CB-CD1 3.76Å; I96-L169 HydrophobicContact CG1-CD1 4.05Å; L99-L169 HydrophobicContact CD1-CB 3.77Å; L99-L169 WeakPolarHBondContact CD1-O 3.38Å; V103-L169 HydrophobicContact CB-CB 4.37Å; V103-L169 HydrophobicContact CG1-CB 4.35Å; V103-L169 HydrophobicContact CG2-CD2 4.08Å; P105-L169 HydrophobicContact CB-CD2 4.13Å; L167-L169 HydrophobicContact CD1-CD2 3.85Å; L167-L169 HydrophobicContact CD2-CD2 4.07Å; L167-L169 HydrophobicContact CD2-CG 4.44Å; L167-L169 HydrophobicContact CG-CD2 3.85Å; L167-L169 HydrophobicContact CG-CG 4.18Å
170R98.1Very high94.7Very high12 Ų1254 Ų545%0.04529%0.293CS..EExtended strand (participates in β ladder)trans-93.4141.1175.2-48.3-174.867.6174.28108.8T22 S25 V103 F104 V168 W172 I248T22-R170 PolarHBondContact OG1-NH2 2.96Å; S25-R170 WeakPolarHBondContact OG-CG 3.16Å; V103-R170 CarbonylContact C-O 3.59Å; V103-R170 WeakPolarHBondContact CA-O 3.47Å; V103-R170 VanDerWaalsContact CB-O 3.29Å; V103-R170 WeakPolarHBondContact CB-O 3.21Å; F104-R170 HydrophobicContact CB-CB 4.33Å; F104-R170 HydrophobicContact CD1-CG 4.42Å; F104-R170 PolarHBondContact N-O 2.96Å; F104-R170 PolarHBondContact O-N 3.08Å; V168-R170 HydrophobicContact CG1-CG 4Å; R170-W172 PolarHBondContact O-N 3.18Å; R170-I248 VanDerWaalsContact CZ-O 3.27Å; R170-I248 PolarHBondContact NH1-O 3.43Å; R170-I248 PolarHBondContact NH2-O 2.94Å
171K97.8Very high95.1Very high105 Ų10549.2 Ų49.246%0.45727%0.267SS..EExtended strand (participates in β ladder)trans-56.4128.8170.9176.7172.8-177.1-171.90109.2I23 K24 L99 A173I23-K171 HydrophobicContact CG2-CB 4.1Å; I23-K171 VanDerWaalsContact CG2-O 3.31Å; I23-K171 WeakPolarHBondContact CG2-O 3.49Å; K24-K171 WeakPolarHBondContact O-CB 3.26Å; K24-K171 PolarHBondContact O-N 2.93Å; L99-K171 HydrophobicContact CB-CB 4.4Å; L99-K171 HydrophobicContact CD2-CB 4.12Å; L99-K171 WeakPolarHBondContact O-CD 3.3Å; L99-K171 WeakPolarHBondContact O-CG 3.27Å; K171-A173 PolarHBondContact O-N 3.35Å
172W96.1Very high95.4Very high63 Ų6347.3 Ų47.324%0.23925%0.254CS..PPolyproline II helixtrans-59.5133.4176.2179.8-108.1000111C102 F104 S123 L124 E125 R170 E174C102-W172 HydrophobicContact CB-CB 3.76Å; C102-W172 HydrophobicContact CB-CG 4.25Å; C102-W172 VanDerWaalsContact O-CB 3.28Å; C102-W172 WeakPolarHBondContact O-CB 3.31Å; C102-W172 PolarHBondContact O-N 3.21Å; F104-W172 HydrophobicContact CB-CE3 4.09Å; F104-W172 HydrophobicContact CB-CZ3 4.47Å; F104-W172 HydrophobicContact CD2-CZ3 4.11Å; S123-W172 WeakPolarHBondContact OG-CH2 3.24Å; L124-W172 HydrophobicContact CB-CZ3 4.46Å; E125-W172 HydrophobicContact CB-CD2 3.89Å; E125-W172 HydrophobicContact CB-CE3 3.82Å; E125-W172 HydrophobicContact CB-CH2 4.04Å; E125-W172 HydrophobicContact CB-CZ2 4.09Å; E125-W172 HydrophobicContact CB-CZ3 3.9Å; E125-W172 HydrophobicContact CG-CD2 3.93Å; E125-W172 HydrophobicContact CG-CE3 4.22Å; E125-W172 HydrophobicContact CG-CG 4.09Å; R170-W172 PolarHBondContact O-N 3.18Å; W172-E174 HydrophobicContact CZ2-CG 4.49Å
173A92.8Very high95.8Very high44 Ų4440.5 Ų40.536%0.36421%0.213SC..  trans-144.8130.7174.300000108.5I23 K171 L175I23-A173 HydrophobicContact CD1-CB 4.32Å; K171-A173 PolarHBondContact O-N 3.35Å; A173-L175 HydrophobicContact CB-CD2 4.18Å; A173-L175 PolarHBondContact O-N 2.89Å
174E90.3Very high96Very high168 Ų16839.2 Ų39.279%0.78521%0.206SC*.  trans-76.193.8175.1-69.2177.8-173.600109.4W172W172-E174 HydrophobicContact CZ2-CG 4.49Å
175L92.6Very high96.1Very high50 Ų5034.5 Ų34.526%0.26217%0.173SC..  trans-84.5125.4174.6-54.4-174000109.3I23 A173 P177 Y238 I248I23-L175 HydrophobicContact CD1-CD1 4.32Å; A173-L175 HydrophobicContact CB-CD2 4.18Å; A173-L175 PolarHBondContact O-N 2.89Å; L175-P177 WeakPolarHBondContact O-CD 3.04Å; L175-Y238 HydrophobicContact CB-CD2 4.12Å; L175-Y238 HydrophobicContact CB-CE2 4.08Å; L175-Y238 HydrophobicContact CD1-CG 4.42Å; L175-Y238 HydrophobicContact CD2-CD1 3.74Å; L175-Y238 HydrophobicContact CD2-CD2 4.24Å; L175-Y238 HydrophobicContact CD2-CE1 3.83Å; L175-Y238 HydrophobicContact CD2-CE2 4.33Å; L175-Y238 HydrophobicContact CD2-CG 3.94Å; L175-I248 HydrophobicContact CD1-CD1 3.76Å; L175-I248 HydrophobicContact CD1-CG1 4.49Å
176I91.8Very high96Very high108 Ų10834.4 Ų34.455%0.55417%0.173SC*.  trans-76.1122.1174.1-58.2171.6000107.8G178 G179 Y238I176-G178 PolarHBondContact O-N 2.68Å; I176-G178 VanDerWaalsContact O-N 3.1Å; I176-G179 PolarHBondContact O-N 3.27Å; I176-Y238 WeakPolarHBondContact O-CE2 3.38Å
177P91.8Very high95.9Very high56 Ų5639.3 Ų39.336%0.36420%0.196SC..G310 helixtrans-57-34.4-172-26.633.6000114.2L175 G179 E180 D197L175-P177 WeakPolarHBondContact O-CD 3.04Å; P177-G179 PolarHBondContact O-N 2.87Å; P177-E180 PolarHBondContact O-N 3.29Å; P177-D197 HydrophobicContact CB-CB 4.08Å
178G93.9Very high95.7Very high0 Ų039.8 Ų39.80%020%0.199CC..G310 helixtrans-67.1-0.517500000115.8I176 Y202 H204I176-G178 PolarHBondContact O-N 2.68Å; I176-G178 VanDerWaalsContact O-N 3.1Å; G178-Y202 VanDerWaalsContact CA-CD2 3.47Å; G178-Y202 VanDerWaalsContact CA-CE2 3.45Å; G178-H204 PolarHBondContact O-NE2 3.25Å
179G96.1Very high95.5Very high8 Ų843 Ų438%0.08221%0.213CC..G310 helixtrans-101.9-1.9171.200000113.9I176 P177 F181 Y238 R239I176-G179 PolarHBondContact O-N 3.27Å; P177-G179 PolarHBondContact O-N 2.87Å; G179-F181 WeakPolarHBondContact O-CD2 3.42Å; G179-F181 VanDerWaalsContact O-CE2 3.3Å; G179-F181 WeakPolarHBondContact O-CE2 3.3Å; G179-Y238 CarbonylContact O-C 3.59Å; G179-Y238 WeakPolarHBondContact O-CA 3.43Å; G179-R239 PolarHBondContact O-N 3.1Å
180E97.6Very high95.4Very high45 Ų4543.7 Ų43.721%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-96.3135.3-177-66.2-173106.500112.4P177 R196 V237 Y238P177-E180 PolarHBondContact O-N 3.29Å; E180-R196 HydrophobicContact CB-CB 3.66Å; E180-R196 HydrophobicContact CB-CG 4.25Å; E180-R196 WeakPolarHBondContact O-CB 3.37Å; E180-R196 PolarHBondContact O-N 3.04Å; E180-V237 WeakPolarHBondContact CA-O 3.42Å; E180-Y238 HydrophobicContact CG-CD2 3.86Å
181F98.3Very high95.3Very high2 Ų244.3 Ų44.31%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-137.4142.7-178.9-56.1-84.5000110.8G179 V193 S194 I205 I212 I216 D236 V237 R239 F291G179-F181 WeakPolarHBondContact O-CD2 3.42Å; G179-F181 VanDerWaalsContact O-CE2 3.3Å; G179-F181 WeakPolarHBondContact O-CE2 3.3Å; F181-V193 HydrophobicContact CB-CG1 3.98Å; F181-V193 HydrophobicContact CD1-CG1 4.3Å; F181-V193 HydrophobicContact CG-CG1 4.41Å; F181-S194 CarbonylContact C-O 3.57Å; F181-S194 WeakPolarHBondContact CA-O 3.48Å; F181-I205 HydrophobicContact CE1-CD1 4.1Å; F181-I205 HydrophobicContact CE1-CG2 4.38Å; F181-I205 HydrophobicContact CZ-CD1 4.15Å; F181-I205 HydrophobicContact CZ-CG1 4.33Å; F181-I212 HydrophobicContact CD1-CG2 4.48Å; F181-I212 HydrophobicContact CD2-CG2 4.28Å; F181-I212 HydrophobicContact CE1-CG2 3.98Å; F181-I212 HydrophobicContact CE2-CG2 3.75Å; F181-I212 HydrophobicContact CZ-CD1 4.15Å; F181-I212 HydrophobicContact CZ-CG2 3.6Å; F181-I216 HydrophobicContact CB-CD1 3.91Å; F181-I216 HydrophobicContact CD2-CD1 3.88Å; F181-I216 HydrophobicContact CG-CD1 3.84Å; F181-D236 CarbonylContact O-C 3.56Å; F181-D236 WeakPolarHBondContact O-CA 3.44Å; F181-V237 HydrophobicContact CB-CG2 4Å; F181-V237 PolarHBondContact N-O 3.19Å; F181-V237 PolarHBondContact O-N 2.67Å; F181-R239 HydrophobicContact CE2-CB 4.41Å; F181-F291 AromaticContact CD1-CE2 3.81Å; F181-F291 HydrophobicContact CD1-CE2 3.81Å; F181-F291 HydrophobicContact CD1-CZ 4Å; F181-F291 AromaticContact CE1-CE2 3.84Å; F181-F291 HydrophobicContact CE1-CE2 3.84Å; F181-F291 AromaticContact CE1-CZ 3.63Å; F181-F291 HydrophobicContact CE1-CZ 3.63Å; F181-F291 HydrophobicContact CZ-CZ 4.45Å
182R98.6Very high95.2Very high7 Ų739.3 Ų39.33%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-102.2130.2171.1178.2157.8-73.1-172.1-8.5109.7F184 V193 S194 V234 D236 D258 L260R182-F184 HydrophobicContact CG-CE1 4.26Å; R182-F184 HydrophobicContact CG-CE2 3.93Å; R182-F184 HydrophobicContact CG-CZ 3.73Å; R182-V193 CarbonylContact O-C 3.58Å; R182-V193 WeakPolarHBondContact O-CA 3.46Å; R182-S194 PolarHBondContact N-O 3.43Å; R182-S194 PolarHBondContact O-N 2.79Å; R182-V234 HydrophobicContact CG-CG1 3.45Å; R182-V234 VanDerWaalsContact CG-CG1 3.45Å; R182-D236 WeakPolarHBondContact CA-OD1 3.47Å; R182-D236 WeakPolarHBondContact CB-OD1 3.34Å; R182-D236 WeakPolarHBondContact CG-OD1 3.25Å; R182-D236 IonicContact CZ-OD1 3.2Å; R182-D236 IonicContact CZ-OD2 3.66Å; R182-D236 IonicContact NE-OD1 3.78Å; R182-D236 PolarHBondContact NE-OD1 3.21Å; R182-D236 IonicContact NE-OD2 3.63Å; R182-D236 IonicContact NH2-OD1 2.67Å; R182-D236 PolarHBondContact NH2-OD1 3.24Å; R182-D236 IonicContact NH2-OD2 2.9Å; R182-D236 PolarHBondContact NH2-OD2 2.97Å; R182-D258 WeakPolarHBondContact CD-O 3.31Å; R182-D258 PolarHBondContact NH1-O 2.94Å; R182-L260 HydrophobicContact CB-CD1 3.49Å; R182-L260 VanDerWaalsContact CB-CD1 3.49Å; R182-L260 HydrophobicContact CG-CD1 4.14Å
183C98.4Very high95.2Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-118.6132.6-173.9-57.20000109.9L190 A192 I216 V234 F235C183-L190 HydrophobicContact CB-CD1 3.72Å; C183-A192 WeakPolarHBondContact CA-O 3.35Å; C183-I216 WeakPolarHBondContact SG-CG2 3.41Å; C183-V234 CarbonylContact O-C 3.6Å; C183-V234 WeakPolarHBondContact O-CA 3.07Å; C183-V234 WeakPolarHBondContact O-CG1 2.99Å; C183-F235 HydrophobicContact CB-CD1 3.64Å; C183-F235 HydrophobicContact CB-CD2 4.04Å; C183-F235 HydrophobicContact CB-CE1 3.25Å; C183-F235 HydrophobicContact CB-CE2 3.68Å; C183-F235 HydrophobicContact CB-CG 4.01Å; C183-F235 HydrophobicContact CB-CZ 3.26Å; C183-F235 WeakPolarHBondContact CB-O 3.46Å; C183-F235 PolarHBondContact N-O 3.02Å; C183-F235 PolarHBondContact O-N 3.37Å
184F98Very high95.4Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-108.7124.4-175.6-59.4-90.2000109.7R182 I191 A192 V234 F253 F262 W264 L267R182-F184 HydrophobicContact CG-CE1 4.26Å; R182-F184 HydrophobicContact CG-CE2 3.93Å; R182-F184 HydrophobicContact CG-CZ 3.73Å; F184-I191 HydrophobicContact CB-CD1 4.44Å; F184-I191 HydrophobicContact CB-CG1 4.02Å; F184-I191 VanDerWaalsContact O-CG1 3.23Å; F184-I191 WeakPolarHBondContact O-CG1 3.28Å; F184-I191 PolarHBondContact O-N 3.09Å; F184-A192 HydrophobicContact CB-CB 4.16Å; F184-A192 HydrophobicContact CD2-CB 3.88Å; F184-A192 HydrophobicContact CG-CB 4.39Å; F184-A192 PolarHBondContact N-O 2.9Å; F184-A192 PolarHBondContact O-N 2.84Å; F184-V234 HydrophobicContact CD1-CG1 4.33Å; F184-V234 HydrophobicContact CD1-CG2 3.69Å; F184-V234 HydrophobicContact CE1-CG1 4.3Å; F184-V234 HydrophobicContact CE1-CG2 4.07Å; F184-F253 HydrophobicContact CB-CE2 4.24Å; F184-F262 HydrophobicContact CD2-CD2 4.43Å; F184-F262 AromaticContact CE2-CD2 3.87Å; F184-F262 HydrophobicContact CE2-CD2 3.87Å; F184-F262 HydrophobicContact CE2-CE2 4.34Å; F184-W264 HydrophobicContact CD1-CH2 4.22Å; F184-W264 HydrophobicContact CE1-CH2 4.21Å; F184-W264 HydrophobicContact CE1-CZ2 4.28Å; F184-L267 HydrophobicContact CB-CD2 3.97Å; F184-L267 HydrophobicContact CD1-CD1 3.52Å; F184-L267 HydrophobicContact CD1-CD2 4.18Å; F184-L267 HydrophobicContact CD1-CG 4.48Å; F184-L267 HydrophobicContact CD2-CD2 4.21Å; F184-L267 HydrophobicContact CE1-CD1 3.55Å; F184-L267 HydrophobicContact CG-CD1 4.04Å; F184-L267 HydrophobicContact CG-CD2 3.86Å; F184-L267 HydrophobicContact CZ-CD1 4.1Å
185V97Very high95.7Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-116.7130.7-178.5-174.40000109.1K189 L190 F220 D232 F233 F235 F253V185-K189 CarbonylContact C-O 3.51Å; V185-K189 VanDerWaalsContact CA-O 3.27Å; V185-K189 WeakPolarHBondContact CA-O 3.46Å; V185-L190 HydrophobicContact CG2-CD1 4.46Å; V185-F220 HydrophobicContact CB-CE2 4.38Å; V185-F220 HydrophobicContact CG1-CE2 3.86Å; V185-F220 HydrophobicContact CG1-CZ 3.77Å; V185-F220 HydrophobicContact CG2-CD2 4.15Å; V185-F220 HydrophobicContact CG2-CE2 3.53Å; V185-F220 HydrophobicContact CG2-CZ 4.11Å; V185-D232 WeakPolarHBondContact O-CA 3.47Å; V185-F233 WeakPolarHBondContact CA-O 3.5Å; V185-F233 HydrophobicContact CB-CD1 4.07Å; V185-F233 HydrophobicContact CB-CD2 4.32Å; V185-F233 HydrophobicContact CB-CE1 3.93Å; V185-F233 HydrophobicContact CB-CE2 4.17Å; V185-F233 HydrophobicContact CB-CG 4.28Å; V185-F233 HydrophobicContact CB-CZ 3.98Å; V185-F233 WeakPolarHBondContact CB-O 3.27Å; V185-F233 HydrophobicContact CG1-CD1 4.12Å; V185-F233 HydrophobicContact CG1-CE1 3.63Å; V185-F233 HydrophobicContact CG1-CZ 3.89Å; V185-F233 HydrophobicContact CG2-CD2 4.22Å; V185-F233 HydrophobicContact CG2-CE1 4.31Å; V185-F233 HydrophobicContact CG2-CE2 3.78Å; V185-F233 HydrophobicContact CG2-CZ 3.83Å; V185-F233 PolarHBondContact N-O 3.2Å; V185-F233 PolarHBondContact O-N 3.18Å; V185-F235 HydrophobicContact CG2-CD1 3.64Å; V185-F235 HydrophobicContact CG2-CE1 3.43Å; V185-F235 VanDerWaalsContact CG2-CE1 3.43Å; V185-F253 WeakPolarHBondContact O-CD2 3.41Å; V185-F253 WeakPolarHBondContact O-CE2 3.28Å
186K95.1Very high95.8Very high40 Ų4026 Ų2617%0.17413%0.128CC..EExtended strand (participates in β ladder)trans-138.6134.7175.6-169.6-179.3-179.9-169.20109.6N188 K189 I191 D232 F253 M268K186-N188 PolarHBondContact O-N 3.42Å; K186-K189 PolarHBondContact N-O 2.86Å; K186-K189 WeakPolarHBondContact O-CB 3.5Å; K186-K189 PolarHBondContact O-N 3.46Å; K186-I191 HydrophobicContact CB-CD1 3.82Å; K186-I191 HydrophobicContact CB-CG1 4.33Å; K186-I191 HydrophobicContact CB-CG2 4.18Å; K186-I191 HydrophobicContact CD-CD1 4.41Å; K186-D232 WeakPolarHBondContact CA-OD1 3.37Å; K186-F253 HydrophobicContact CB-CE2 4.46Å; K186-F253 HydrophobicContact CB-CZ 4.19Å; K186-F253 HydrophobicContact CD-CE1 4.38Å; K186-F253 HydrophobicContact CD-CZ 4.27Å; K186-F253 HydrophobicContact CG-CZ 4.4Å; K186-M268 PolarHBondContact NZ-O 3.39Å
187E94.4Very high95.8Very high116 Ų11622.4 Ų22.454%0.54211%0.11SC..THydrogen-bonded Turntrans50.442.9-175-61.6173.5-173.500112K189 E231 D232E187-K189 PolarHBondContact O-N 3.43Å; E187-E231 PolarHBondContact N-O 3.1Å; E187-D232 PolarHBondContact N-OD1 3.43Å
188N94.9Very high95.7Very high12 Ų1223.6 Ų23.66%0.06411%0.108CC..THydrogen-bonded Turntrans58.124.3-175-86.4-60.7000114.7K186 Q225 Y226 E231K186-N188 PolarHBondContact O-N 3.42Å; N188-Q225 WeakPolarHBondContact O-CG 3.29Å; N188-Q225 PolarHBondContact O-NE2 3.26Å; N188-Y226 HydrophobicContact CB-CD1 3.9Å; N188-Y226 HydrophobicContact CB-CE1 3.44Å; N188-Y226 VanDerWaalsContact CB-CE1 3.44Å; N188-E231 PolarHBondContact N-O 3.02Å; N188-E231 VanDerWaalsContact ND2-CG 3.32Å; N188-E231 WeakPolarHBondContact ND2-CG 3.31Å
189K94.3Very high95.4Very high66 Ų6624.2 Ų24.229%0.28711%0.112SC..EExtended strand (participates in β ladder)trans-119.8134.3175.5-64.1170.2-174.3159.60110.4V185 K186 E187 I191 Y285V185-K189 CarbonylContact C-O 3.51Å; V185-K189 VanDerWaalsContact CA-O 3.27Å; V185-K189 WeakPolarHBondContact CA-O 3.46Å; K186-K189 PolarHBondContact N-O 2.86Å; K186-K189 WeakPolarHBondContact O-CB 3.5Å; K186-K189 PolarHBondContact O-N 3.46Å; E187-K189 PolarHBondContact O-N 3.43Å; K189-I191 PolarHBondContact O-N 3.24Å; K189-Y285 HydrophobicContact CD-CE2 4.2Å; K189-Y285 WeakPolarHBondContact CG-OH 3.49Å
190L95.8Very high95Very high16 Ų1628.2 Ų28.28%0.08413%0.128CC..EExtended strand (participates in β ladder)trans-69.9109.6169.4179.362.7000108.6C183 V185 V193 I216 Q217 F220 F235 P289C183-L190 HydrophobicContact CB-CD1 3.72Å; V185-L190 HydrophobicContact CG2-CD1 4.46Å; L190-V193 HydrophobicContact CD1-CG2 4.23Å; L190-V193 HydrophobicContact CD2-CG2 4.25Å; L190-V193 HydrophobicContact CG-CG2 4.47Å; L190-I216 HydrophobicContact CD2-CG2 4.1Å; L190-Q217 HydrophobicContact CD2-CG 3.99Å; L190-F220 HydrophobicContact CB-CD1 3.7Å; L190-F220 HydrophobicContact CB-CE1 3.84Å; L190-F220 HydrophobicContact CB-CG 4.09Å; L190-F220 HydrophobicContact CB-CZ 4.35Å; L190-F220 HydrophobicContact CD2-CB 4.27Å; L190-F220 HydrophobicContact CD2-CG 4.48Å; L190-F235 HydrophobicContact CD1-CE1 4.03Å; L190-F235 HydrophobicContact CD1-CZ 4.24Å; L190-P289 HydrophobicContact CD2-CB 4.35Å; L190-P289 HydrophobicContact CD2-CG 3.93Å; L190-P289 HydrophobicContact CG-CB 3.93Å; L190-P289 HydrophobicContact CG-CG 4.08Å
191I95.1Very high94.6Very high24 Ų2428.5 Ų28.512%0.12313%0.128CC..EExtended strand (participates in β ladder)trans-98.1-31.6-175.657164.3000112.6F184 K186 K189 F253 L267 V272 A290F184-I191 HydrophobicContact CB-CD1 4.44Å; F184-I191 HydrophobicContact CB-CG1 4.02Å; F184-I191 VanDerWaalsContact O-CG1 3.23Å; F184-I191 WeakPolarHBondContact O-CG1 3.28Å; F184-I191 PolarHBondContact O-N 3.09Å; K186-I191 HydrophobicContact CB-CD1 3.82Å; K186-I191 HydrophobicContact CB-CG1 4.33Å; K186-I191 HydrophobicContact CB-CG2 4.18Å; K186-I191 HydrophobicContact CD-CD1 4.41Å; K189-I191 PolarHBondContact O-N 3.24Å; I191-F253 HydrophobicContact CD1-CE2 4.38Å; I191-F253 HydrophobicContact CD1-CZ 4.2Å; I191-L267 HydrophobicContact CD1-CD2 4.06Å; I191-V272 HydrophobicContact CD1-CG2 4.36Å; I191-A290 PolarHBondContact O-N 3.32Å; I191-A290 VanDerWaalsContact O-N 3.08Å
192A95.9Very high94.3Very high0 Ų030.6 Ų30.60%014%0.136CC..EExtended strand (participates in β ladder)trans-152.1154-176.100000112.9C183 F184 F262 L267 V272 A290C183-A192 WeakPolarHBondContact CA-O 3.35Å; F184-A192 HydrophobicContact CB-CB 4.16Å; F184-A192 HydrophobicContact CD2-CB 3.88Å; F184-A192 HydrophobicContact CG-CB 4.39Å; F184-A192 PolarHBondContact N-O 2.9Å; F184-A192 PolarHBondContact O-N 2.84Å; A192-F262 HydrophobicContact CB-CD1 4.39Å; A192-F262 HydrophobicContact CB-CE1 3.89Å; A192-F262 HydrophobicContact CB-CE2 4.07Å; A192-F262 HydrophobicContact CB-CZ 3.72Å; A192-L267 HydrophobicContact CB-CD2 3.85Å; A192-V272 HydrophobicContact CB-CG1 4.32Å; A192-A290 CarbonylContact C-O 3.57Å; A192-A290 VanDerWaalsContact CA-O 3.25Å; A192-A290 WeakPolarHBondContact CA-O 3.44Å; A192-A290 HydrophobicContact CB-CB 4.49Å
193V97.4Very high93.9Very high0 Ų035.5 Ų35.50%016%0.159CC..EExtended strand (participates in β ladder)trans-133.7131.9173.9-178.20000108.5F181 R182 L190 I216 F262 P289 A290 F291 R292F181-V193 HydrophobicContact CB-CG1 3.98Å; F181-V193 HydrophobicContact CD1-CG1 4.3Å; F181-V193 HydrophobicContact CG-CG1 4.41Å; R182-V193 CarbonylContact O-C 3.58Å; R182-V193 WeakPolarHBondContact O-CA 3.46Å; L190-V193 HydrophobicContact CD1-CG2 4.23Å; L190-V193 HydrophobicContact CD2-CG2 4.25Å; L190-V193 HydrophobicContact CG-CG2 4.47Å; V193-I216 HydrophobicContact CG1-CD1 3.85Å; V193-I216 HydrophobicContact CG2-CG2 4.12Å; V193-F262 WeakPolarHBondContact O-CE2 3.38Å; V193-P289 HydrophobicContact CG2-CB 4.37Å; V193-P289 HydrophobicContact CG2-CG 4.01Å; V193-A290 PolarHBondContact N-O 2.99Å; V193-F291 HydrophobicContact CB-CD2 3.89Å; V193-F291 HydrophobicContact CB-CE2 4.48Å; V193-F291 HydrophobicContact CB-CG 4.42Å; V193-F291 HydrophobicContact CG1-CD2 3.79Å; V193-F291 HydrophobicContact CG1-CE2 3.88Å; V193-F291 WeakPolarHBondContact O-CA 3.35Å; V193-F291 WeakPolarHBondContact O-CD2 3.49Å; V193-R292 PolarHBondContact O-N 2.87Å
194S97.2Very high93.6Very high0 Ų038.8 Ų38.80%018%0.175CC..EExtended strand (participates in β ladder)trans-122.3140.2177.4-166.60000110.8F181 R182 R196 L260 L261 R292F181-S194 CarbonylContact C-O 3.57Å; F181-S194 WeakPolarHBondContact CA-O 3.48Å; R182-S194 PolarHBondContact N-O 3.43Å; R182-S194 PolarHBondContact O-N 2.79Å; S194-R196 PolarHBondContact O-N 2.87Å; S194-L260 WeakPolarHBondContact OG-CB 3.38Å; S194-L261 WeakPolarHBondContact OG-CB 3.42Å; S194-L261 PolarHBondContact OG-N 3.24Å; S194-R292 WeakPolarHBondContact CA-O 3.39Å
195Q95.8Very high93.4Very high0 Ų038.8 Ų38.80%018%0.175CC..EExtended strand (participates in β ladder)trans-58.9129163175.8-178.2-20.400110.1D197 Q200 I205 L261 R292Q195-D197 PolarHBondContact NE2-O 3.5Å; Q195-Q200 PolarHBondContact NE2-O 2.93Å; Q195-I205 HydrophobicContact CG-CD1 4.04Å; Q195-L261 HydrophobicContact CB-CD1 4.26Å; Q195-R292 PolarHBondContact N-O 2.7Å
196R94.8Very high93.1Very high45 Ų4542.6 Ų42.617%0.1720%0.195CC..SBendtrans-71-43.2-175.2-175.259.6-17587.4-8.4113.3E180 S194 Y198E180-R196 HydrophobicContact CB-CB 3.66Å; E180-R196 HydrophobicContact CB-CG 4.25Å; E180-R196 WeakPolarHBondContact O-CB 3.37Å; E180-R196 PolarHBondContact O-N 3.04Å; S194-R196 PolarHBondContact O-N 2.87Å; R196-Y198 PolarHBondContact O-N 3.38Å
197D92.1Very high93Very high33 Ų3347.6 Ų47.618%0.17622%0.216CC..  trans-9575.6174.7173.821.9000110.1P177 Q195 T199 Q200 Y202P177-D197 HydrophobicContact CB-CB 4.08Å; Q195-D197 PolarHBondContact NE2-O 3.5Å; D197-T199 PolarHBondContact O-N 3.47Å; D197-T199 PolarHBondContact OD1-N 3.21Å; D197-T199 PolarHBondContact OD1-OG1 3.14Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.33Å; D197-Q200 VanDerWaalsContact OD2-CG 3.26Å; D197-Q200 WeakPolarHBondContact OD2-CG 3.14Å; D197-Y202 HydrophobicContact CB-CE2 4.33Å; D197-Y202 PolarHBondContact OD2-OH 2.8Å
198Y88.6Confident92.9Very high81 Ų8146 Ų4632%0.31821%0.209SC..THydrogen-bonded Turntrans-69.1-10.3-178.365.6-90.4000113.9R196 Q200 L260 L261 T294 P304R196-Y198 PolarHBondContact O-N 3.38Å; Y198-Q200 VanDerWaalsContact C-N 3.28Å; Y198-Q200 PolarHBondContact O-N 3.23Å; Y198-L260 HydrophobicContact CD1-CB 4.44Å; Y198-L260 HydrophobicContact CD1-CD2 3.95Å; Y198-L260 HydrophobicContact CE1-CD2 4.05Å; Y198-L261 HydrophobicContact CG-CD2 4.42Å; Y198-T294 PolarHBondContact O-OG1 3.4Å; Y198-P304 HydrophobicContact CE1-CG 4.22Å
199T87.5Confident92.7Very high14 Ų1447.7 Ų47.79%0.08622%0.216CC..THydrogen-bonded Turntrans-75.4-18.5-178.7710000113.4D197 Q301 P304D197-T199 PolarHBondContact O-N 3.47Å; D197-T199 PolarHBondContact OD1-N 3.21Å; D197-T199 PolarHBondContact OD1-OG1 3.14Å; T199-Q301 HydrophobicContact CG2-CB 4.48Å; T199-P304 HydrophobicContact CG2-CG 4.08Å
200Q87.4Confident92.6Very high91 Ų9152.6 Ų52.643%0.42524%0.24SC..SBendtrans-114.4147.5-176.9-62.6-58.1-38.900112Q195 D197 Y198 Y202 T294Q195-Q200 PolarHBondContact NE2-O 2.93Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.33Å; D197-Q200 VanDerWaalsContact OD2-CG 3.26Å; D197-Q200 WeakPolarHBondContact OD2-CG 3.14Å; Y198-Q200 VanDerWaalsContact C-N 3.28Å; Y198-Q200 PolarHBondContact O-N 3.23Å; Q200-Y202 HydrophobicContact CB-CD2 4.37Å; Q200-Y202 HydrophobicContact CB-CE1 4.48Å; Q200-Y202 HydrophobicContact CB-CE2 3.61Å; Q200-T294 WeakPolarHBondContact O-CB 3.48Å
201Y89.6Confident92.5Very high52 Ų5257.2 Ų57.220%0.20426%0.261CS..  trans-92.1122.6170.8173.5-105.1000110.6Q203 L206 T294 T295 S296 E297Y201-Q203 HydrophobicContact CE1-CB 3.89Å; Y201-Q203 HydrophobicContact CE1-CG 4.28Å; Y201-L206 WeakPolarHBondContact OH-CD2 3.33Å; Y201-T294 VanDerWaalsContact CD2-O 3.25Å; Y201-T294 WeakPolarHBondContact CD2-O 3.45Å; Y201-T295 WeakPolarHBondContact CE2-O 3.47Å; Y201-S296 WeakPolarHBondContact CB-O 3.42Å; Y201-E297 HydrophobicContact CD1-CG 3.91Å; Y201-E297 HydrophobicContact CE1-CG 4.48Å; Y201-E297 HydrophobicContact CG-CG 4.44Å
202Y91.6Very high92.6Very high46 Ų4656.2 Ų56.218%0.1826%0.256CS..  trans-115.6104.1176.2-66-72.5000111.1G178 D197 Q200 H204 I205G178-Y202 VanDerWaalsContact CA-CD2 3.47Å; G178-Y202 VanDerWaalsContact CA-CE2 3.45Å; D197-Y202 HydrophobicContact CB-CE2 4.33Å; D197-Y202 PolarHBondContact OD2-OH 2.8Å; Q200-Y202 HydrophobicContact CB-CD2 4.37Å; Q200-Y202 HydrophobicContact CB-CE1 4.48Å; Q200-Y202 HydrophobicContact CB-CE2 3.61Å; Y202-H204 VanDerWaalsContact CB-CE1 3.46Å; Y202-H204 WeakPolarHBondContact CB-CE1 3.46Å; Y202-H204 AromaticContact CD1-CE1 3.86Å; Y202-H204 AromaticContact CG-CE1 3.84Å; Y202-H204 PolarHBondContact O-N 2.78Å; Y202-H204 VanDerWaalsContact O-N 3.08Å; Y202-I205 HydrophobicContact CD2-CD1 4.01Å; Y202-I205 HydrophobicContact CG-CD1 4.25Å; Y202-I205 WeakPolarHBondContact O-CB 3.4Å; Y202-I205 PolarHBondContact O-N 3.14Å
203Q91.1Very high92.6Very high109 Ų10957 Ų5751%0.50926%0.261SS..Hα-helixtrans-56.6-30-176.7-162-168.635.300113.6Y201 I205 K207Y201-Q203 HydrophobicContact CE1-CB 3.89Å; Y201-Q203 HydrophobicContact CE1-CG 4.28Å; Q203-I205 VanDerWaalsContact C-N 3.3Å; Q203-I205 PolarHBondContact O-N 2.97Å; Q203-K207 HydrophobicContact CG-CD 4.45Å; Q203-K207 WeakPolarHBondContact O-CG 3.25Å; Q203-K207 PolarHBondContact O-N 3.39Å
204H92.3Very high92.5Very high70 Ų7061.3 Ų61.332%0.32428%0.281SS..Hα-helixtrans-68.5-28.7178.667.6-88.1000112.8G178 Y202 K207 Q208G178-H204 PolarHBondContact O-NE2 3.25Å; Y202-H204 VanDerWaalsContact CB-CE1 3.46Å; Y202-H204 WeakPolarHBondContact CB-CE1 3.46Å; Y202-H204 AromaticContact CD1-CE1 3.86Å; Y202-H204 AromaticContact CG-CE1 3.84Å; Y202-H204 PolarHBondContact O-N 2.78Å; Y202-H204 VanDerWaalsContact O-N 3.08Å; H204-K207 PolarHBondContact O-N 2.78Å; H204-Q208 VanDerWaalsContact O-CB 3.28Å; H204-Q208 WeakPolarHBondContact O-CB 3.15Å; H204-Q208 WeakPolarHBondContact O-CG 2.94Å; H204-Q208 PolarHBondContact O-N 2.9Å
205I93.7Very high92.5Very high0 Ų062 Ų620%029%0.287CS..Hα-helixtrans-65.7-48.9177.9-58.6-179.5000109.2F181 Q195 Y202 Q203 K207 Q208 E209 I212 F291 Y293F181-I205 HydrophobicContact CE1-CD1 4.1Å; F181-I205 HydrophobicContact CE1-CG2 4.38Å; F181-I205 HydrophobicContact CZ-CD1 4.15Å; F181-I205 HydrophobicContact CZ-CG1 4.33Å; Q195-I205 HydrophobicContact CG-CD1 4.04Å; Y202-I205 HydrophobicContact CD2-CD1 4.01Å; Y202-I205 HydrophobicContact CG-CD1 4.25Å; Y202-I205 WeakPolarHBondContact O-CB 3.4Å; Y202-I205 PolarHBondContact O-N 3.14Å; Q203-I205 VanDerWaalsContact C-N 3.3Å; Q203-I205 PolarHBondContact O-N 2.97Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.43Å; I205-Q208 CarbonylContact O-C 3.58Å; I205-Q208 PolarHBondContact O-N 3.15Å; I205-E209 WeakPolarHBondContact O-CA 3.09Å; I205-E209 PolarHBondContact O-N 2.9Å; I205-I212 HydrophobicContact CB-CD1 4.32Å; I205-I212 HydrophobicContact CG1-CD1 4.38Å; I205-I212 HydrophobicContact CG2-CD1 4.14Å; I205-F291 HydrophobicContact CG2-CZ 3.96Å; I205-Y293 HydrophobicContact CB-CD2 4.43Å; I205-Y293 HydrophobicContact CG2-CD1 4.04Å; I205-Y293 HydrophobicContact CG2-CD2 3.8Å; I205-Y293 HydrophobicContact CG2-CE2 4.41Å; I205-Y293 HydrophobicContact CG2-CG 3.58Å
206L91.1Very high92.6Very high80 Ų8062 Ų6242%0.41929%0.287SS..Hα-helixtrans-56.6-44175.2177.964.6000112.1Y201 Q208 Y293Y201-L206 WeakPolarHBondContact OH-CD2 3.33Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.39Å; L206-Y293 HydrophobicContact CB-CE2 4.05Å; L206-Y293 HydrophobicContact CD1-CE2 4Å; L206-Y293 VanDerWaalsContact CD1-OH 3.26Å; L206-Y293 WeakPolarHBondContact CD1-OH 3.22Å
207K92.4Very high92.7Very high144 Ų14462.1 Ų62.163%0.62629%0.29SS*.Hα-helixtrans-71.6-26.2-179.2-71.6175.5179.8167.60113.6Q203 H204 I205Q203-K207 HydrophobicContact CG-CD 4.45Å; Q203-K207 WeakPolarHBondContact O-CG 3.25Å; Q203-K207 PolarHBondContact O-N 3.39Å; H204-K207 PolarHBondContact O-N 2.78Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.43Å
208Q92.9Very high93Very high84 Ų8463.5 Ų63.539%0.39330%0.297SS..Hα-helixtrans-117.515-172.8-59.5-176.36.800113H204 I205 L206 Q210 H211 I212H204-Q208 VanDerWaalsContact O-CB 3.28Å; H204-Q208 WeakPolarHBondContact O-CB 3.15Å; H204-Q208 WeakPolarHBondContact O-CG 2.94Å; H204-Q208 PolarHBondContact O-N 2.9Å; I205-Q208 CarbonylContact O-C 3.58Å; I205-Q208 PolarHBondContact O-N 3.15Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.39Å; Q208-Q210 VanDerWaalsContact C-N 3.33Å; Q208-Q210 PolarHBondContact O-N 3.33Å; Q208-H211 PolarHBondContact O-N 3.49Å; Q208-I212 HydrophobicContact CB-CD1 3.98Å; Q208-I212 HydrophobicContact CB-CG1 4.14Å; Q208-I212 WeakPolarHBondContact O-CG1 3.43Å; Q208-I212 PolarHBondContact O-N 2.66Å
209E91.3Very high93.4Very high47 Ų4760.2 Ų60.222%0.2229%0.285CS..Hα-helixtrans-45.8-54.6-172.6-179.6-168.2141.900112.4I205 H211 I212 S213 F291 Y293I205-E209 WeakPolarHBondContact O-CA 3.09Å; I205-E209 PolarHBondContact O-N 2.9Å; E209-H211 VanDerWaalsContact C-N 3.34Å; E209-H211 PolarHBondContact O-N 3.48Å; E209-I212 PolarHBondContact O-N 2.89Å; E209-S213 WeakPolarHBondContact O-CB 3.27Å; E209-S213 PolarHBondContact O-N 2.97Å; E209-F291 HydrophobicContact CG-CD1 3.64Å; E209-F291 HydrophobicContact CG-CE1 3.91Å; E209-Y293 HydrophobicContact CB-CE1 4.29Å; E209-Y293 HydrophobicContact CG-CE1 3.66Å; E209-Y293 PolarHBondContact OE2-OH 3.34Å
210Q91.6Very high94Very high168 Ų16860 Ų6079%0.78528%0.282SS*.Hα-helixtrans-60.8-41.6-179.4-66.8-178-1600112.4Q208 Q214Q208-Q210 VanDerWaalsContact C-N 3.33Å; Q208-Q210 PolarHBondContact O-N 3.33Å; Q210-Q214 VanDerWaalsContact O-CB 3.27Å; Q210-Q214 WeakPolarHBondContact O-CB 3.47Å; Q210-Q214 PolarHBondContact O-N 3.02Å
211H94.1Very high94.4Very high114 Ų11458.4 Ų58.453%0.52828%0.281SS..Hα-helixtrans-71.9-35.1-179.6-171-59.9000111.8Q208 E209 A215 R239Q208-H211 PolarHBondContact O-N 3.49Å; E209-H211 VanDerWaalsContact C-N 3.34Å; E209-H211 PolarHBondContact O-N 3.48Å; H211-A215 VanDerWaalsContact O-CB 3.25Å; H211-A215 WeakPolarHBondContact O-CB 3.34Å; H211-A215 PolarHBondContact O-N 3.45Å; H211-R239 PolarHBondContact CE1-NH2 3.44Å; H211-R239 PolarHBondContact ND1-NH2 2.87Å
212I95.9Very high94.8Very high2 Ų261.2 Ų61.21%0.0130%0.297CS..Hα-helixtrans-66.6-51.8175.2-67.1165.8000109.3F181 I205 Q208 E209 Q214 A215 I216 F291F181-I212 HydrophobicContact CD1-CG2 4.48Å; F181-I212 HydrophobicContact CD2-CG2 4.28Å; F181-I212 HydrophobicContact CE1-CG2 3.98Å; F181-I212 HydrophobicContact CE2-CG2 3.75Å; F181-I212 HydrophobicContact CZ-CD1 4.15Å; F181-I212 HydrophobicContact CZ-CG2 3.6Å; I205-I212 HydrophobicContact CB-CD1 4.32Å; I205-I212 HydrophobicContact CG1-CD1 4.38Å; I205-I212 HydrophobicContact CG2-CD1 4.14Å; Q208-I212 HydrophobicContact CB-CD1 3.98Å; Q208-I212 HydrophobicContact CB-CG1 4.14Å; Q208-I212 WeakPolarHBondContact O-CG1 3.43Å; Q208-I212 PolarHBondContact O-N 2.66Å; E209-I212 PolarHBondContact O-N 2.89Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; I212-Q214 PolarHBondContact O-N 2.82Å; I212-A215 PolarHBondContact O-N 3.16Å; I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.25Å; I212-F291 HydrophobicContact CB-CE1 4.09Å; I212-F291 HydrophobicContact CB-CZ 4.38Å; I212-F291 HydrophobicContact CG2-CE1 3.9Å; I212-F291 HydrophobicContact CG2-CZ 3.76Å
213S95.5Very high95.1Very high16 Ų1661.4 Ų61.411%0.11230%0.299CS..Hα-helixtrans-57.8-46178.8-178.30000111.6E209 I216 Q217E209-S213 WeakPolarHBondContact O-CB 3.27Å; E209-S213 PolarHBondContact O-N 2.97Å; S213-I216 PolarHBondContact O-N 3.46Å; S213-Q217 WeakPolarHBondContact O-CB 2.99Å; S213-Q217 VanDerWaalsContact O-CG 3.27Å; S213-Q217 WeakPolarHBondContact O-CG 3.15Å; S213-Q217 PolarHBondContact O-N 3.31Å; S213-Q217 PolarHBondContact O-NE2 3.02Å; S213-Q217 PolarHBondContact OG-NE2 3.38Å
214Q95.3Very high95.4Very high91 Ų9156.2 Ų56.243%0.42528%0.275SS..Hα-helixtrans-63-45.3177.8-170.863.453.900112.1Q210 I212 I216 Q217 D218Q210-Q214 VanDerWaalsContact O-CB 3.27Å; Q210-Q214 WeakPolarHBondContact O-CB 3.47Å; Q210-Q214 PolarHBondContact O-N 3.02Å; I212-Q214 VanDerWaalsContact C-N 3.34Å; I212-Q214 PolarHBondContact O-N 2.82Å; Q214-I216 VanDerWaalsContact C-N 3.29Å; Q214-I216 PolarHBondContact O-N 2.93Å; Q214-Q217 PolarHBondContact O-N 3.36Å; Q214-D218 PolarHBondContact NE2-OD1 2.61Å; Q214-D218 WeakPolarHBondContact O-CB 3.43Å; Q214-D218 VanDerWaalsContact O-CG 3.22Å; Q214-D218 PolarHBondContact O-N 3.2Å
215A97.6Very high95.7Very high15 Ų1555 Ų5512%0.12427%0.269CS..Hα-helixtrans-61.7-38.1179.900000112.4H211 I212 F219 V245H211-A215 VanDerWaalsContact O-CB 3.25Å; H211-A215 WeakPolarHBondContact O-CB 3.34Å; H211-A215 PolarHBondContact O-N 3.45Å; I212-A215 PolarHBondContact O-N 3.16Å; A215-F219 VanDerWaalsContact O-CB 3.31Å; A215-F219 WeakPolarHBondContact O-CB 3.42Å; A215-F219 PolarHBondContact O-N 3.47Å; A215-V245 HydrophobicContact CB-CG2 3.96Å
216I98.1Very high95.8Very high0 Ų062.7 Ų62.70%030%0.299CS..Hα-helixtrans-69.8-42.8176.5-66.6172.9000110.9F181 C183 L190 V193 I212 S213 Q214 F219 F220 V237F181-I216 HydrophobicContact CB-CD1 3.91Å; F181-I216 HydrophobicContact CD2-CD1 3.88Å; F181-I216 HydrophobicContact CG-CD1 3.84Å; C183-I216 WeakPolarHBondContact SG-CG2 3.41Å; L190-I216 HydrophobicContact CD2-CG2 4.1Å; V193-I216 HydrophobicContact CG1-CD1 3.85Å; V193-I216 HydrophobicContact CG2-CG2 4.12Å; I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.25Å; S213-I216 PolarHBondContact O-N 3.46Å; Q214-I216 VanDerWaalsContact C-N 3.29Å; Q214-I216 PolarHBondContact O-N 2.93Å; I216-F219 PolarHBondContact O-N 3.25Å; I216-F220 WeakPolarHBondContact O-CB 3.13Å; I216-F220 PolarHBondContact O-N 2.72Å; I216-V237 HydrophobicContact CD1-CG2 4.05Å; I216-V237 HydrophobicContact CG1-CG2 4.07Å
217Q97.3Very high96.1Very high47 Ų4766 Ų6622%0.2231%0.306CS..Hα-helixtrans-61.6-43.7175.2-74.2175.374.700112.4L190 S213 Q214 F220 S221 P289L190-Q217 HydrophobicContact CD2-CG 3.99Å; S213-Q217 WeakPolarHBondContact O-CB 2.99Å; S213-Q217 VanDerWaalsContact O-CG 3.27Å; S213-Q217 WeakPolarHBondContact O-CG 3.15Å; S213-Q217 PolarHBondContact O-N 3.31Å; S213-Q217 PolarHBondContact O-NE2 3.02Å; S213-Q217 PolarHBondContact OG-NE2 3.38Å; Q214-Q217 PolarHBondContact O-N 3.36Å; Q217-F220 PolarHBondContact O-N 3.2Å; Q217-S221 WeakPolarHBondContact O-CB 3.3Å; Q217-S221 PolarHBondContact O-N 3.21Å; Q217-S221 PolarHBondContact O-OG 3.1Å; Q217-P289 HydrophobicContact CG-CG 3.87Å; Q217-P289 VanDerWaalsContact NE2-CD 3.31Å
218D97.6Very high96.3Very high63 Ų6359.8 Ų59.834%0.33728%0.279SS..Hα-helixtrans-63-45.7176.5-71.2-13.3000110.5Q214 F220 S221 Q222Q214-D218 PolarHBondContact NE2-OD1 2.61Å; Q214-D218 WeakPolarHBondContact O-CB 3.43Å; Q214-D218 VanDerWaalsContact O-CG 3.22Å; Q214-D218 PolarHBondContact O-N 3.2Å; D218-F220 PolarHBondContact O-N 3.18Å; D218-S221 PolarHBondContact O-OG 3.29Å; D218-S221 VanDerWaalsContact O-OG 3.13Å; D218-Q222 VanDerWaalsContact O-CB 3.23Å; D218-Q222 WeakPolarHBondContact O-CB 3.42Å; D218-Q222 WeakPolarHBondContact O-CG 3.32Å; D218-Q222 PolarHBondContact O-N 2.89Å
219F98.5Very high96.4Very high12 Ų1260.3 Ų60.35%0.05328%0.284CS..Hα-helixtrans-58.9-47.2175.4-179.9-94.8000112H21 A215 I216 H223 V224 F235 V237 V245 L247H21-F219 HydrophobicContact CB-CE2 3.88Å; H21-F219 HydrophobicContact CB-CZ 3.92Å; A215-F219 VanDerWaalsContact O-CB 3.31Å; A215-F219 WeakPolarHBondContact O-CB 3.42Å; A215-F219 PolarHBondContact O-N 3.47Å; I216-F219 PolarHBondContact O-N 3.25Å; F219-H223 AromaticContact CD2-CD2 3.73Å; F219-H223 HydrophobicContact CE2-CB 4.44Å; F219-H223 VanDerWaalsContact O-CB 3.32Å; F219-H223 WeakPolarHBondContact O-CB 3.27Å; F219-H223 PolarHBondContact O-N 3.09Å; F219-V224 HydrophobicContact CD1-CG2 3.96Å; F219-V224 HydrophobicContact CE1-CG2 3.52Å; F219-V224 HydrophobicContact CZ-CG2 4.29Å; F219-F235 HydrophobicContact CD1-CE2 4.38Å; F219-V237 HydrophobicContact CD1-CG1 4.29Å; F219-V237 HydrophobicContact CE1-CG1 4.14Å; F219-V245 HydrophobicContact CB-CB 3.93Å; F219-V245 HydrophobicContact CB-CG1 3.9Å; F219-V245 HydrophobicContact CB-CG2 4.33Å; F219-V245 HydrophobicContact CD1-CG1 3.86Å; F219-V245 HydrophobicContact CD2-CB 3.75Å; F219-V245 HydrophobicContact CD2-CG1 3.84Å; F219-V245 HydrophobicContact CE1-CG1 4.36Å; F219-V245 HydrophobicContact CE2-CB 4.44Å; F219-V245 HydrophobicContact CE2-CG1 4.34Å; F219-V245 WeakPolarHBondContact CE2-O 3.47Å; F219-V245 HydrophobicContact CG-CB 3.85Å; F219-V245 HydrophobicContact CG-CG1 3.58Å; F219-L247 HydrophobicContact CE1-CB 4.3Å; F219-L247 HydrophobicContact CZ-CB 3.96Å
220F98.3Very high96.7Very high8 Ų859.1 Ų59.14%0.03528%0.28CS..Iπ-helixtrans-59.3-56.9178.4172.9-106.5000111.2V185 L190 I216 Q217 D218 Q222 H223 V224 Q225 F233 F235V185-F220 HydrophobicContact CB-CE2 4.38Å; V185-F220 HydrophobicContact CG1-CE2 3.86Å; V185-F220 HydrophobicContact CG1-CZ 3.77Å; V185-F220 HydrophobicContact CG2-CD2 4.15Å; V185-F220 HydrophobicContact CG2-CE2 3.53Å; V185-F220 HydrophobicContact CG2-CZ 4.11Å; L190-F220 HydrophobicContact CB-CD1 3.7Å; L190-F220 HydrophobicContact CB-CE1 3.84Å; L190-F220 HydrophobicContact CB-CG 4.09Å; L190-F220 HydrophobicContact CB-CZ 4.35Å; L190-F220 HydrophobicContact CD2-CB 4.27Å; L190-F220 HydrophobicContact CD2-CG 4.48Å; I216-F220 WeakPolarHBondContact O-CB 3.13Å; I216-F220 PolarHBondContact O-N 2.72Å; Q217-F220 PolarHBondContact O-N 3.2Å; D218-F220 PolarHBondContact O-N 3.18Å; F220-Q222 VanDerWaalsContact C-N 3.31Å; F220-Q222 PolarHBondContact O-N 2.98Å; F220-H223 PolarHBondContact O-N 3.32Å; F220-V224 HydrophobicContact CD2-CB 3.92Å; F220-V224 HydrophobicContact CD2-CG1 4.11Å; F220-V224 HydrophobicContact CE2-CB 4.47Å; F220-V224 HydrophobicContact CE2-CG1 4.34Å; F220-V224 PolarHBondContact O-N 3.44Å; F220-Q225 HydrophobicContact CD1-CB 4.14Å; F220-Q225 HydrophobicContact CD1-CG 4.4Å; F220-Q225 HydrophobicContact CD2-CB 4.48Å; F220-Q225 HydrophobicContact CE1-CB 3.75Å; F220-Q225 HydrophobicContact CE1-CG 3.58Å; F220-Q225 HydrophobicContact CE2-CB 4.1Å; F220-Q225 HydrophobicContact CE2-CG 4.4Å; F220-Q225 HydrophobicContact CG-CB 4.5Å; F220-Q225 HydrophobicContact CZ-CB 3.73Å; F220-Q225 HydrophobicContact CZ-CG 3.58Å; F220-Q225 WeakPolarHBondContact O-CB 3.33Å; F220-Q225 PolarHBondContact O-N 2.79Å; F220-F233 HydrophobicContact CE2-CZ 4.1Å; F220-F235 HydrophobicContact CB-CZ 4.08Å; F220-F235 AromaticContact CD2-CE1 3.71Å; F220-F235 HydrophobicContact CD2-CE1 3.71Å; F220-F235 AromaticContact CD2-CZ 3.87Å; F220-F235 HydrophobicContact CD2-CZ 3.87Å; F220-F235 HydrophobicContact CE2-CE1 4.29Å; F220-F235 HydrophobicContact CG-CZ 4.34Å
221S97.3Very high96.9Very high58 Ų5856.8 Ų56.841%0.40627%0.268SS..Iπ-helixtrans-62.5-34.9-17659.10000113.4Q217 D218Q217-S221 WeakPolarHBondContact O-CB 3.3Å; Q217-S221 PolarHBondContact O-N 3.21Å; Q217-S221 PolarHBondContact O-OG 3.1Å; D218-S221 PolarHBondContact O-OG 3.29Å; D218-S221 VanDerWaalsContact O-OG 3.13Å
222Q97.6Very high97Very high112 Ų11253.7 Ų53.752%0.52326%0.256SS..Iπ-helixtrans-86.4-30.4-176.7-64.917427.700113.5D218 F220D218-Q222 VanDerWaalsContact O-CB 3.23Å; D218-Q222 WeakPolarHBondContact O-CB 3.42Å; D218-Q222 WeakPolarHBondContact O-CG 3.32Å; D218-Q222 PolarHBondContact O-N 2.89Å; F220-Q222 VanDerWaalsContact C-N 3.31Å; F220-Q222 PolarHBondContact O-N 2.98Å
223H97.9Very high97.1Very high50 Ų5053.6 Ų53.623%0.23126%0.255CS..Iπ-helixtrans-126.1-22.2-166-57.8-40.2000115.5F18 H21 F219 F220 R227F18-H223 VanDerWaalsContact CE1-O 3.31Å; F18-H223 WeakPolarHBondContact CE1-O 3.39Å; H21-H223 AromaticContact CE1-CD2 3.56Å; H21-H223 AromaticContact CE1-CE1 3.48Å; H21-H223 PolarHBondContact CE1-CE1 3.13Å; H21-H223 VanDerWaalsContact CE1-CE1 3.48Å; H21-H223 AromaticContact CE1-CG 3.49Å; H21-H223 VanDerWaalsContact CE1-CG 3.49Å; H21-H223 AromaticContact CE1-ND1 3.45Å; H21-H223 PolarHBondContact CE1-ND1 3.32Å; H21-H223 AromaticContact CE1-NE2 3.51Å; H21-H223 AromaticContact ND1-CD2 3.7Å; H21-H223 AromaticContact ND1-CG 3.89Å; H21-H223 AromaticContact ND1-NE2 3.96Å; H21-H223 AromaticContact NE2-CG 3.73Å; H21-H223 AromaticContact NE2-ND1 3.6Å; F219-H223 AromaticContact CD2-CD2 3.73Å; F219-H223 HydrophobicContact CE2-CB 4.44Å; F219-H223 VanDerWaalsContact O-CB 3.32Å; F219-H223 WeakPolarHBondContact O-CB 3.27Å; F219-H223 PolarHBondContact O-N 3.09Å; F220-H223 PolarHBondContact O-N 3.32Å; H223-R227 WeakPolarHBondContact O-CD 3.43Å
224V97.9Very high97.2Very high0 Ų052.8 Ų52.80%025%0.25CC..Iπ-helixtrans-116.3-45.3-172.6-174.30000112.1F18 F219 F220 Y226 R227 F228 F233F18-V224 HydrophobicContact CE1-CG2 4.49Å; F18-V224 HydrophobicContact CZ-CG1 4.42Å; F219-V224 HydrophobicContact CD1-CG2 3.96Å; F219-V224 HydrophobicContact CE1-CG2 3.52Å; F219-V224 HydrophobicContact CZ-CG2 4.29Å; F220-V224 HydrophobicContact CD2-CB 3.92Å; F220-V224 HydrophobicContact CD2-CG1 4.11Å; F220-V224 HydrophobicContact CE2-CB 4.47Å; F220-V224 HydrophobicContact CE2-CG1 4.34Å; F220-V224 PolarHBondContact O-N 3.44Å; V224-Y226 PolarHBondContact O-N 2.94Å; V224-R227 WeakPolarHBondContact O-CB 3.37Å; V224-R227 PolarHBondContact O-N 2.9Å; V224-F228 PolarHBondContact O-N 2.92Å; V224-F233 HydrophobicContact CG1-CE2 3.73Å; V224-F233 HydrophobicContact CG1-CZ 3.76Å
225Q97.1Very high97.4Very high45 Ų4548.5 Ų48.521%0.2123%0.23CC..THydrogen-bonded Turntrans-56.8130.3-175.7-162.9-17823.800111.1N188 F220 R227N188-Q225 WeakPolarHBondContact O-CG 3.29Å; N188-Q225 PolarHBondContact O-NE2 3.26Å; F220-Q225 HydrophobicContact CD1-CB 4.14Å; F220-Q225 HydrophobicContact CD1-CG 4.4Å; F220-Q225 HydrophobicContact CD2-CB 4.48Å; F220-Q225 HydrophobicContact CE1-CB 3.75Å; F220-Q225 HydrophobicContact CE1-CG 3.58Å; F220-Q225 HydrophobicContact CE2-CB 4.1Å; F220-Q225 HydrophobicContact CE2-CG 4.4Å; F220-Q225 HydrophobicContact CG-CB 4.5Å; F220-Q225 HydrophobicContact CZ-CB 3.73Å; F220-Q225 HydrophobicContact CZ-CG 3.58Å; F220-Q225 WeakPolarHBondContact O-CB 3.33Å; F220-Q225 PolarHBondContact O-N 2.79Å; Q225-R227 PolarHBondContact O-N 3.07Å; Q225-R227 VanDerWaalsContact O-N 3.11Å
226Y97.1Very high97.4Very high161 Ų16148.2 Ų48.263%0.63123%0.226SC*.THydrogen-bonded Turntrans59.514-176.6-47.7-65000115.5N188 V224N188-Y226 HydrophobicContact CB-CD1 3.9Å; N188-Y226 HydrophobicContact CB-CE1 3.44Å; N188-Y226 VanDerWaalsContact CB-CE1 3.44Å; V224-Y226 PolarHBondContact O-N 2.94Å
227R96.8Very high97.5Very high149 Ų14948.3 Ų48.356%0.56223%0.227SC*.THydrogen-bonded Turntrans-111.5-23.1175-63-160.1-179.4-155.8-0.1113.9I17 F18 H223 V224 Q225I17-R227 HydrophobicContact CG2-CB 4.45Å; F18-R227 HydrophobicContact CE1-CB 4.11Å; F18-R227 HydrophobicContact CZ-CB 4.34Å; H223-R227 WeakPolarHBondContact O-CD 3.43Å; V224-R227 WeakPolarHBondContact O-CB 3.37Å; V224-R227 PolarHBondContact O-N 2.9Å; Q225-R227 PolarHBondContact O-N 3.07Å; Q225-R227 VanDerWaalsContact O-N 3.11Å
228F96.6Very high97.5Very high13 Ų1347.2 Ų47.26%0.05722%0.221CC..SBendtrans-78.5159.4169.3-168.6-118.8000110.6H8 W14 F18 V224 D230 F233 L250H8-F228 HydrophobicContact CB-CZ 4.03Å; H8-F228 WeakPolarHBondContact O-CE2 3.39Å; W14-F228 HydrophobicContact CB-CE2 4.09Å; F18-F228 HydrophobicContact CE2-CD2 4.06Å; F18-F228 HydrophobicContact CZ-CB 4.17Å; V224-F228 PolarHBondContact O-N 2.92Å; F228-D230 HydrophobicContact CD1-CB 4.08Å; F228-D230 HydrophobicContact CE1-CB 3.89Å; F228-D230 WeakPolarHBondContact CE1-OD2 3.28Å; F228-F233 HydrophobicContact CB-CE1 4.09Å; F228-F233 HydrophobicContact CB-CE2 4.5Å; F228-F233 HydrophobicContact CB-CZ 4.06Å; F228-F233 HydrophobicContact CD1-CB 3.95Å; F228-F233 AromaticContact CD1-CD1 3.53Å; F228-F233 HydrophobicContact CD1-CD1 3.53Å; F228-F233 HydrophobicContact CD1-CD2 4.04Å; F228-F233 AromaticContact CD1-CE1 3.93Å; F228-F233 HydrophobicContact CD1-CE1 3.93Å; F228-F233 HydrophobicContact CD1-CE2 4.41Å; F228-F233 AromaticContact CD1-CG 3.57Å; F228-F233 HydrophobicContact CD1-CG 3.57Å; F228-F233 HydrophobicContact CD1-CZ 4.35Å; F228-F233 HydrophobicContact CE1-CB 3.77Å; F228-F233 HydrophobicContact CE1-CD1 4.21Å; F228-F233 HydrophobicContact CE1-CD2 4.48Å; F228-F233 AromaticContact CE1-CG 3.93Å; F228-F233 HydrophobicContact CE1-CG 3.93Å; F228-F233 HydrophobicContact CG-CD1 4.44Å; F228-F233 HydrophobicContact CG-CE1 4.45Å; F228-L250 HydrophobicContact CD2-CD1 3.96Å; F228-L250 HydrophobicContact CD2-CD2 4.43Å; F228-L250 HydrophobicContact CE2-CD1 3.95Å; F228-L250 HydrophobicContact CE2-CD2 4.47Å
229L95.8Very high97.5Very high96 Ų9645.7 Ų45.750%0.50321%0.21SC..SBendtrans-75.1-31.5-172.4-63.2171.8000112.5H8 V13H8-L229 HydrophobicContact CB-CB 4.35Å; H8-L229 HydrophobicContact CB-CD1 4.17Å; H8-L229 VanDerWaalsContact CD2-CD1 3.42Å; H8-L229 WeakPolarHBondContact CD2-CD1 3.05Å; V13-L229 HydrophobicContact CG1-CD1 3.58Å
230D96.5Very high97.3Very high22 Ų2246.3 Ų46.312%0.11821%0.214CC..  trans-103152.6-179.6-56.1-54.7000112H8 F228 F233H8-D230 VanDerWaalsContact CB-OD2 3.27Å; H8-D230 WeakPolarHBondContact CB-OD2 3.4Å; H8-D230 IonicContact CE1-OD1 2.71Å; H8-D230 IonicContact CG-OD2 3.52Å; H8-D230 IonicContact ND1-OD1 2.65Å; H8-D230 PolarHBondContact ND1-OD1 3.17Å; H8-D230 IonicContact ND1-OD2 2.69Å; H8-D230 PolarHBondContact ND1-OD2 2.91Å; F228-D230 HydrophobicContact CD1-CB 4.08Å; F228-D230 HydrophobicContact CE1-CB 3.89Å; F228-D230 WeakPolarHBondContact CE1-OD2 3.28Å; D230-F233 VanDerWaalsContact O-CD1 3.27Å; D230-F233 WeakPolarHBondContact O-CD1 3.45Å; D230-F233 WeakPolarHBondContact O-CE1 3.33Å
231E96Very high96.9Very high118 Ų11851.8 Ų51.855%0.55125%0.253SS*.SBendtrans-84-24.3175.1-47.5-161.8137.800112.8E187 N188E187-E231 PolarHBondContact N-O 3.1Å; N188-E231 PolarHBondContact N-O 3.02Å; N188-E231 VanDerWaalsContact ND2-CG 3.32Å; N188-E231 WeakPolarHBondContact ND2-CG 3.31Å
232D96.4Very high96.6Very high49 Ų4957.5 Ų57.526%0.26227%0.274SS..SBendtrans-117.6112.9-179.2-61.9-13.2000108.9V185 K186 E187 F253V185-D232 WeakPolarHBondContact O-CA 3.47Å; K186-D232 WeakPolarHBondContact CA-OD1 3.37Å; E187-D232 PolarHBondContact N-OD1 3.43Å; D232-F253 HydrophobicContact CB-CB 3.98Å; D232-F253 HydrophobicContact CB-CD1 4.26Å; D232-F253 HydrophobicContact CB-CG 4.13Å
233F97.9Very high96.3Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-159.2167.6-178.960.8-84.3000111.5V185 F220 V224 F228 D230 F235 L250V185-F233 WeakPolarHBondContact CA-O 3.5Å; V185-F233 HydrophobicContact CB-CD1 4.07Å; V185-F233 HydrophobicContact CB-CD2 4.32Å; V185-F233 HydrophobicContact CB-CE1 3.93Å; V185-F233 HydrophobicContact CB-CE2 4.17Å; V185-F233 HydrophobicContact CB-CG 4.28Å; V185-F233 HydrophobicContact CB-CZ 3.98Å; V185-F233 WeakPolarHBondContact CB-O 3.27Å; V185-F233 HydrophobicContact CG1-CD1 4.12Å; V185-F233 HydrophobicContact CG1-CE1 3.63Å; V185-F233 HydrophobicContact CG1-CZ 3.89Å; V185-F233 HydrophobicContact CG2-CD2 4.22Å; V185-F233 HydrophobicContact CG2-CE1 4.31Å; V185-F233 HydrophobicContact CG2-CE2 3.78Å; V185-F233 HydrophobicContact CG2-CZ 3.83Å; V185-F233 PolarHBondContact N-O 3.2Å; V185-F233 PolarHBondContact O-N 3.18Å; F220-F233 HydrophobicContact CE2-CZ 4.1Å; V224-F233 HydrophobicContact CG1-CE2 3.73Å; V224-F233 HydrophobicContact CG1-CZ 3.76Å; F228-F233 HydrophobicContact CB-CE1 4.09Å; F228-F233 HydrophobicContact CB-CE2 4.5Å; F228-F233 HydrophobicContact CB-CZ 4.06Å; F228-F233 HydrophobicContact CD1-CB 3.95Å; F228-F233 AromaticContact CD1-CD1 3.53Å; F228-F233 HydrophobicContact CD1-CD1 3.53Å; F228-F233 HydrophobicContact CD1-CD2 4.04Å; F228-F233 AromaticContact CD1-CE1 3.93Å; F228-F233 HydrophobicContact CD1-CE1 3.93Å; F228-F233 HydrophobicContact CD1-CE2 4.41Å; F228-F233 AromaticContact CD1-CG 3.57Å; F228-F233 HydrophobicContact CD1-CG 3.57Å; F228-F233 HydrophobicContact CD1-CZ 4.35Å; F228-F233 HydrophobicContact CE1-CB 3.77Å; F228-F233 HydrophobicContact CE1-CD1 4.21Å; F228-F233 HydrophobicContact CE1-CD2 4.48Å; F228-F233 AromaticContact CE1-CG 3.93Å; F228-F233 HydrophobicContact CE1-CG 3.93Å; F228-F233 HydrophobicContact CG-CD1 4.44Å; F228-F233 HydrophobicContact CG-CE1 4.45Å; D230-F233 VanDerWaalsContact O-CD1 3.27Å; D230-F233 WeakPolarHBondContact O-CD1 3.45Å; D230-F233 WeakPolarHBondContact O-CE1 3.33Å; F233-F235 HydrophobicContact CD2-CB 4.4Å; F233-F235 HydrophobicContact CD2-CD1 4.26Å; F233-F235 HydrophobicContact CE2-CB 4.37Å; F233-F235 AromaticContact CE2-CD1 3.8Å; F233-F235 HydrophobicContact CE2-CD1 3.8Å; F233-F235 HydrophobicContact CE2-CG 4.4Å; F233-L250 HydrophobicContact CD2-CD2 3.51Å; F233-L250 HydrophobicContact CE2-CD2 3.85Å; F233-L250 HydrophobicContact CG-CD2 4.48Å
234V98.5Very high96.2Very high0 Ų056.6 Ų56.60%027%0.269CS..EExtended strand (participates in β ladder)trans-115.9137.7173.4179.50000108.2R182 C183 F184 L250 N251 F253 T257 W264R182-V234 HydrophobicContact CG-CG1 3.45Å; R182-V234 VanDerWaalsContact CG-CG1 3.45Å; C183-V234 CarbonylContact O-C 3.6Å; C183-V234 WeakPolarHBondContact O-CA 3.07Å; C183-V234 WeakPolarHBondContact O-CG1 2.99Å; F184-V234 HydrophobicContact CD1-CG1 4.33Å; F184-V234 HydrophobicContact CD1-CG2 3.69Å; F184-V234 HydrophobicContact CE1-CG1 4.3Å; F184-V234 HydrophobicContact CE1-CG2 4.07Å; V234-L250 CarbonylContact O-C 3.53Å; V234-L250 WeakPolarHBondContact O-CA 3.33Å; V234-N251 HydrophobicContact CB-CB 4.24Å; V234-N251 PolarHBondContact N-O 3.49Å; V234-N251 PolarHBondContact O-N 3.14Å; V234-N251 VanDerWaalsContact O-O 3.1Å; V234-F253 HydrophobicContact CG2-CD2 4.02Å; V234-T257 HydrophobicContact CB-CG2 4.14Å; V234-T257 HydrophobicContact CG1-CG2 3.99Å; V234-T257 HydrophobicContact CG2-CG2 4.18Å; V234-W264 HydrophobicContact CG2-CH2 3.89Å
235F98.6Very high96.3Very high0 Ų057.1 Ų57.10%027%0.272CS..EExtended strand (participates in β ladder)trans-131.6138.317471.4-81.8000111.1C183 V185 L190 F219 F220 F233 V237 L247 D249 L250C183-F235 HydrophobicContact CB-CD1 3.64Å; C183-F235 HydrophobicContact CB-CD2 4.04Å; C183-F235 HydrophobicContact CB-CE1 3.25Å; C183-F235 HydrophobicContact CB-CE2 3.68Å; C183-F235 HydrophobicContact CB-CG 4.01Å; C183-F235 HydrophobicContact CB-CZ 3.26Å; C183-F235 WeakPolarHBondContact CB-O 3.46Å; C183-F235 PolarHBondContact N-O 3.02Å; C183-F235 PolarHBondContact O-N 3.37Å; V185-F235 HydrophobicContact CG2-CD1 3.64Å; V185-F235 HydrophobicContact CG2-CE1 3.43Å; V185-F235 VanDerWaalsContact CG2-CE1 3.43Å; L190-F235 HydrophobicContact CD1-CE1 4.03Å; L190-F235 HydrophobicContact CD1-CZ 4.24Å; F219-F235 HydrophobicContact CD1-CE2 4.38Å; F220-F235 HydrophobicContact CB-CZ 4.08Å; F220-F235 AromaticContact CD2-CE1 3.71Å; F220-F235 HydrophobicContact CD2-CE1 3.71Å; F220-F235 AromaticContact CD2-CZ 3.87Å; F220-F235 HydrophobicContact CD2-CZ 3.87Å; F220-F235 HydrophobicContact CE2-CE1 4.29Å; F220-F235 HydrophobicContact CG-CZ 4.34Å; F233-F235 HydrophobicContact CD2-CB 4.4Å; F233-F235 HydrophobicContact CD2-CD1 4.26Å; F233-F235 HydrophobicContact CE2-CB 4.37Å; F233-F235 AromaticContact CE2-CD1 3.8Å; F233-F235 HydrophobicContact CE2-CD1 3.8Å; F233-F235 HydrophobicContact CE2-CG 4.4Å; F235-V237 HydrophobicContact CD2-CG1 3.45Å; F235-V237 VanDerWaalsContact CD2-CG1 3.45Å; F235-V237 HydrophobicContact CE2-CG1 3.42Å; F235-V237 VanDerWaalsContact CE2-CG1 3.42Å; F235-L247 HydrophobicContact CB-CD1 3.9Å; F235-L247 HydrophobicContact CD2-CD1 3.95Å; F235-L247 HydrophobicContact CG-CD1 4.38Å; F235-D249 CarbonylContact C-O 3.5Å; F235-D249 VanDerWaalsContact CA-O 3.31Å; F235-D249 WeakPolarHBondContact CA-O 3.34Å; F235-L250 HydrophobicContact CB-CD2 3.61Å; F235-L250 HydrophobicContact CB-CG 4.27Å
236D98.6Very high96.3Very high9 Ų958 Ų585%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-97.1137.1177-67.8-27.1000109F181 R182 I248 D249F181-D236 CarbonylContact O-C 3.56Å; F181-D236 WeakPolarHBondContact O-CA 3.44Å; R182-D236 WeakPolarHBondContact CA-OD1 3.47Å; R182-D236 WeakPolarHBondContact CB-OD1 3.34Å; R182-D236 WeakPolarHBondContact CG-OD1 3.25Å; R182-D236 IonicContact CZ-OD1 3.2Å; R182-D236 IonicContact CZ-OD2 3.66Å; R182-D236 IonicContact NE-OD1 3.78Å; R182-D236 PolarHBondContact NE-OD1 3.21Å; R182-D236 IonicContact NE-OD2 3.63Å; R182-D236 IonicContact NH2-OD1 2.67Å; R182-D236 PolarHBondContact NH2-OD1 3.24Å; R182-D236 IonicContact NH2-OD2 2.9Å; R182-D236 PolarHBondContact NH2-OD2 2.97Å; D236-I248 HydrophobicContact CB-CB 4.13Å; D236-I248 PolarHBondContact O-N 2.97Å; D236-D249 HydrophobicContact CB-CB 4.13Å; D236-D249 PolarHBondContact N-O 3.36Å; D236-D249 PolarHBondContact O-N 3.37Å
237V98.6Very high96.4Very high2 Ų250.3 Ų50.31%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-130.7151.9178-63.10000112E180 F181 I216 F219 F235 V245 W246E180-V237 WeakPolarHBondContact CA-O 3.42Å; F181-V237 HydrophobicContact CB-CG2 4Å; F181-V237 PolarHBondContact N-O 3.19Å; F181-V237 PolarHBondContact O-N 2.67Å; I216-V237 HydrophobicContact CD1-CG2 4.05Å; I216-V237 HydrophobicContact CG1-CG2 4.07Å; F219-V237 HydrophobicContact CD1-CG1 4.29Å; F219-V237 HydrophobicContact CE1-CG1 4.14Å; F235-V237 HydrophobicContact CD2-CG1 3.45Å; F235-V237 VanDerWaalsContact CD2-CG1 3.45Å; F235-V237 HydrophobicContact CE2-CG1 3.42Å; F235-V237 VanDerWaalsContact CE2-CG1 3.42Å; V237-V245 HydrophobicContact CB-CG1 3.73Å; V237-V245 HydrophobicContact CG1-CG1 3.92Å; V237-V245 HydrophobicContact CG2-CG1 4.18Å; V237-W246 CarbonylContact C-O 3.48Å; V237-W246 WeakPolarHBondContact CA-O 3.26Å
238Y98.5Very high96.5Very high25 Ų2544 Ų4410%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-115.8128.9169175.7-105000109.5L175 I176 G179 E180 D240 V245 W246L175-Y238 HydrophobicContact CB-CD2 4.12Å; L175-Y238 HydrophobicContact CB-CE2 4.08Å; L175-Y238 HydrophobicContact CD1-CG 4.42Å; L175-Y238 HydrophobicContact CD2-CD1 3.74Å; L175-Y238 HydrophobicContact CD2-CD2 4.24Å; L175-Y238 HydrophobicContact CD2-CE1 3.83Å; L175-Y238 HydrophobicContact CD2-CE2 4.33Å; L175-Y238 HydrophobicContact CD2-CG 3.94Å; I176-Y238 WeakPolarHBondContact O-CE2 3.38Å; G179-Y238 CarbonylContact O-C 3.59Å; G179-Y238 WeakPolarHBondContact O-CA 3.43Å; E180-Y238 HydrophobicContact CG-CD2 3.86Å; Y238-D240 HydrophobicContact CD1-CB 4.43Å; Y238-D240 HydrophobicContact CE1-CB 3.76Å; Y238-V245 CarbonylContact O-C 3.51Å; Y238-V245 WeakPolarHBondContact O-CA 3.2Å; Y238-W246 PolarHBondContact N-O 3.11Å; Y238-W246 PolarHBondContact O-N 3.13Å
239R97.4Very high96.5Very high30 Ų3043.9 Ų43.911%0.11322%0.22CC..EExtended strand (participates in β ladder)trans-102.1117.1170.6-176.8178.1173.2-93.3-4.3109.4G179 F181 H211 R244 V245G179-R239 PolarHBondContact O-N 3.1Å; F181-R239 HydrophobicContact CE2-CB 4.41Å; H211-R239 PolarHBondContact CE1-NH2 3.44Å; H211-R239 PolarHBondContact ND1-NH2 2.87Å; R239-R244 WeakPolarHBondContact CA-O 3.42Å; R239-V245 HydrophobicContact CG-CG2 4.47Å
240D94.4Very high96.6Very high25 Ų2539.3 Ų39.313%0.13420%0.197CC..  trans-75.5171.7176.868.330.6000112.6Y238 Q242 G243 R244 W246Y238-D240 HydrophobicContact CD1-CB 4.43Å; Y238-D240 HydrophobicContact CE1-CB 3.76Å; D240-Q242 PolarHBondContact O-N 3.34Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.42Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.4Å; D240-Q242 PolarHBondContact OD1-N 3.1Å; D240-G243 WeakPolarHBondContact O-CA 3.21Å; D240-G243 PolarHBondContact O-N 3.13Å; D240-G243 PolarHBondContact OD1-N 3.26Å; D240-R244 PolarHBondContact N-O 3.5Å; D240-R244 PolarHBondContact OD1-N 3.36Å; D240-R244 WeakPolarHBondContact OD2-CB 3.38Å; D240-W246 PolarHBondContact OD2-NE1 2.83Å
241S89.9Confident96.7Very high123 Ų12339.6 Ų39.686%0.8620%0.198SC*.THydrogen-bonded Turntrans-65.1-17.1-179.8590000114.1G243S241-G243 VanDerWaalsContact C-N 3.3Å
242Q91.5Very high96.7Very high179 Ų17934.5 Ų34.584%0.83618%0.175SC*.THydrogen-bonded Turntrans-87.2-5.3174-58-175.3-2.500112D240D240-Q242 PolarHBondContact O-N 3.34Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.42Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.4Å; D240-Q242 PolarHBondContact OD1-N 3.1Å
243G91.3Very high96.6Very high17 Ų1732.7 Ų32.718%0.17517%0.165CC..SBendtrans876.6179.200000114.4D240 S241D240-G243 WeakPolarHBondContact O-CA 3.21Å; D240-G243 PolarHBondContact O-N 3.13Å; D240-G243 PolarHBondContact OD1-N 3.26Å; S241-G243 VanDerWaalsContact C-N 3.3Å
244R95.8Very high96.3Very high125 Ų12533.1 Ų33.147%0.47217%0.17SC..  trans-78.1138174.8172.7-178.9-178.4177.21109.7R239 D240 W246R239-R244 WeakPolarHBondContact CA-O 3.42Å; D240-R244 PolarHBondContact N-O 3.5Å; D240-R244 PolarHBondContact OD1-N 3.36Å; D240-R244 WeakPolarHBondContact OD2-CB 3.38Å; R244-W246 HydrophobicContact CG-CZ2 4.42Å; R244-W246 VanDerWaalsContact NE-CZ2 3.31Å; R244-W246 VanDerWaalsContact NH1-CH2 3.35Å; R244-W246 VanDerWaalsContact NH2-CH2 3.33Å
245V98.4Very high95.9Very high12 Ų1240.6 Ų40.67%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-99.5135.4179.4-176.30000109.8A215 F219 V237 Y238 R239A215-V245 HydrophobicContact CB-CG2 3.96Å; F219-V245 HydrophobicContact CB-CB 3.93Å; F219-V245 HydrophobicContact CB-CG1 3.9Å; F219-V245 HydrophobicContact CB-CG2 4.33Å; F219-V245 HydrophobicContact CD1-CG1 3.86Å; F219-V245 HydrophobicContact CD2-CB 3.75Å; F219-V245 HydrophobicContact CD2-CG1 3.84Å; F219-V245 HydrophobicContact CE1-CG1 4.36Å; F219-V245 HydrophobicContact CE2-CB 4.44Å; F219-V245 HydrophobicContact CE2-CG1 4.34Å; F219-V245 WeakPolarHBondContact CE2-O 3.47Å; F219-V245 HydrophobicContact CG-CB 3.85Å; F219-V245 HydrophobicContact CG-CG1 3.58Å; V237-V245 HydrophobicContact CB-CG1 3.73Å; V237-V245 HydrophobicContact CG1-CG1 3.92Å; V237-V245 HydrophobicContact CG2-CG1 4.18Å; Y238-V245 CarbonylContact O-C 3.51Å; Y238-V245 WeakPolarHBondContact O-CA 3.2Å; R239-V245 HydrophobicContact CG-CG2 4.47Å
246W98.4Very high95.4Very high63 Ų6343.3 Ų43.324%0.23922%0.221CC..EExtended strand (participates in β ladder)trans-123.5129-179.8-59.786.6000109.2H21 V237 Y238 D240 R244 I248H21-W246 CarbonylContact O-C 3.46Å; H21-W246 WeakPolarHBondContact O-CA 3.44Å; V237-W246 CarbonylContact C-O 3.48Å; V237-W246 WeakPolarHBondContact CA-O 3.26Å; Y238-W246 PolarHBondContact N-O 3.11Å; Y238-W246 PolarHBondContact O-N 3.13Å; D240-W246 PolarHBondContact OD2-NE1 2.83Å; R244-W246 HydrophobicContact CG-CZ2 4.42Å; R244-W246 VanDerWaalsContact NE-CZ2 3.31Å; R244-W246 VanDerWaalsContact NH1-CH2 3.35Å; R244-W246 VanDerWaalsContact NH2-CH2 3.33Å; W246-I248 PolarHBondContact O-N 3.33Å
247L98.6Very high95.1Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-69.7125.6171.1-178.670.2000109.4W14 F18 H21 T22 F219 F235 L250W14-L247 HydrophobicContact CE3-CD2 4.09Å; W14-L247 HydrophobicContact CZ3-CD2 4.06Å; F18-L247 HydrophobicContact CB-CD2 3.53Å; F18-L247 HydrophobicContact CD1-CD2 4.42Å; F18-L247 HydrophobicContact CD2-CD2 3.67Å; F18-L247 HydrophobicContact CG-CD2 3.61Å; H21-L247 PolarHBondContact O-N 3.18Å; T22-L247 WeakPolarHBondContact CA-O 3.45Å; T22-L247 WeakPolarHBondContact CB-O 3.41Å; T22-L247 PolarHBondContact OG1-O 3.16Å; F219-L247 HydrophobicContact CE1-CB 4.3Å; F219-L247 HydrophobicContact CZ-CB 3.96Å; F235-L247 HydrophobicContact CB-CD1 3.9Å; F235-L247 HydrophobicContact CD2-CD1 3.95Å; F235-L247 HydrophobicContact CG-CD1 4.38Å; L247-L250 HydrophobicContact CD1-CG 4.42Å; L247-L250 HydrophobicContact CD2-CD1 4.07Å; L247-L250 HydrophobicContact CD2-CG 4.49Å
248I97.9Very high94.9Very high15 Ų1546.5 Ų46.58%0.07724%0.238CC..EExtended strand (participates in β ladder)trans-100.7-46.2-179.4-61.3-54.2000111.2I23 R170 L175 D236 W246I23-I248 HydrophobicContact CD1-CD1 4.06Å; R170-I248 VanDerWaalsContact CZ-O 3.27Å; R170-I248 PolarHBondContact NH1-O 3.43Å; R170-I248 PolarHBondContact NH2-O 2.94Å; L175-I248 HydrophobicContact CD1-CD1 3.76Å; L175-I248 HydrophobicContact CD1-CG1 4.49Å; D236-I248 HydrophobicContact CB-CB 4.13Å; D236-I248 PolarHBondContact O-N 2.97Å; W246-I248 PolarHBondContact O-N 3.33Å
249D97.9Very high94.6Very high11 Ų1146.2 Ų46.26%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-156.7162.6-178.2-136.9-7.7000112.6K106 F235 D236K106-D249 IonicContact NZ-OD1 2.78Å; K106-D249 PolarHBondContact NZ-OD1 2.9Å; K106-D249 IonicContact NZ-OD2 3.65Å; K106-D249 PolarHBondContact NZ-OD2 3.22Å; F235-D249 CarbonylContact C-O 3.5Å; F235-D249 VanDerWaalsContact CA-O 3.31Å; F235-D249 WeakPolarHBondContact CA-O 3.34Å; D236-D249 HydrophobicContact CB-CB 4.13Å; D236-D249 PolarHBondContact N-O 3.36Å; D236-D249 PolarHBondContact O-N 3.37Å
250L98.1Very high94.4Very high1 Ų145.9 Ų45.91%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-126.9129.5171.4-84.4157.2000108.7W14 F18 F228 F233 V234 F235 L247W14-L250 HydrophobicContact CB-CD1 3.43Å; W14-L250 VanDerWaalsContact CB-CD1 3.43Å; W14-L250 HydrophobicContact CD2-CB 4.46Å; W14-L250 HydrophobicContact CD2-CD1 3.86Å; W14-L250 HydrophobicContact CE3-CD1 4.2Å; W14-L250 HydrophobicContact CG-CB 4.15Å; W14-L250 HydrophobicContact CG-CD1 3.54Å; W14-L250 HydrophobicContact CG-CG 4.43Å; F18-L250 HydrophobicContact CD2-CD1 3.77Å; F18-L250 HydrophobicContact CE2-CD1 3.56Å; F228-L250 HydrophobicContact CD2-CD1 3.96Å; F228-L250 HydrophobicContact CD2-CD2 4.43Å; F228-L250 HydrophobicContact CE2-CD1 3.95Å; F228-L250 HydrophobicContact CE2-CD2 4.47Å; F233-L250 HydrophobicContact CD2-CD2 3.51Å; F233-L250 HydrophobicContact CE2-CD2 3.85Å; F233-L250 HydrophobicContact CG-CD2 4.48Å; V234-L250 CarbonylContact O-C 3.53Å; V234-L250 WeakPolarHBondContact O-CA 3.33Å; F235-L250 HydrophobicContact CB-CD2 3.61Å; F235-L250 HydrophobicContact CB-CG 4.27Å; L247-L250 HydrophobicContact CD1-CG 4.42Å; L247-L250 HydrophobicContact CD2-CD1 4.07Å; L247-L250 HydrophobicContact CD2-CG 4.49Å
251N97.4Very high94.4Very high27 Ų2747 Ų4714%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-130.4153.5-176.8-61-83000110.2V234 T257V234-N251 HydrophobicContact CB-CB 4.24Å; V234-N251 PolarHBondContact N-O 3.49Å; V234-N251 PolarHBondContact O-N 3.14Å; V234-N251 VanDerWaalsContact O-O 3.1Å; N251-T257 HydrophobicContact CB-CG2 3.82Å; N251-T257 WeakPolarHBondContact CB-OG1 3.34Å
252P96.2Very high94.6Very high12 Ų1241.6 Ų41.68%0.07821%0.207CC..EExtended strand (participates in β ladder)trans-64.6153.7175.7-21.633.5000113M1 V6 C9 G254 V256 T257M1-P252 HydrophobicContact CG-CB 3.9Å; M1-P252 HydrophobicContact SD-CB 3.05Å; M1-P252 WeakPolarHBondContact SD-CB 3.5Å; M1-P252 HydrophobicContact SD-CG 3.53Å; M1-P252 VanDerWaalsContact SD-CG 3.53Å; V6-P252 HydrophobicContact CG2-CG 4.31Å; C9-P252 HydrophobicContact CB-CG 4.15Å; C9-P252 VanDerWaalsContact SG-N 3.39Å; P252-G254 PolarHBondContact O-N 3.42Å; P252-V256 HydrophobicContact CB-CG1 4.45Å; P252-T257 PolarHBondContact O-OG1 2.93Å
253F95.5Very high94.7Very high10 Ų1035.6 Ų35.64%0.04419%0.185CC..SBendtrans-83.7103.5173.4-163.6-96000111F184 V185 K186 I191 D232 V234 W264 L267 M268F184-F253 HydrophobicContact CB-CE2 4.24Å; V185-F253 WeakPolarHBondContact O-CD2 3.41Å; V185-F253 WeakPolarHBondContact O-CE2 3.28Å; K186-F253 HydrophobicContact CB-CE2 4.46Å; K186-F253 HydrophobicContact CB-CZ 4.19Å; K186-F253 HydrophobicContact CD-CE1 4.38Å; K186-F253 HydrophobicContact CD-CZ 4.27Å; K186-F253 HydrophobicContact CG-CZ 4.4Å; I191-F253 HydrophobicContact CD1-CE2 4.38Å; I191-F253 HydrophobicContact CD1-CZ 4.2Å; D232-F253 HydrophobicContact CB-CB 3.98Å; D232-F253 HydrophobicContact CB-CD1 4.26Å; D232-F253 HydrophobicContact CB-CG 4.13Å; V234-F253 HydrophobicContact CG2-CD2 4.02Å; F253-W264 AromaticContact CD1-CZ3 3.86Å; F253-W264 HydrophobicContact CD1-CZ3 3.86Å; F253-W264 HydrophobicContact CD2-CH2 4.16Å; F253-W264 AromaticContact CD2-CZ3 3.92Å; F253-W264 HydrophobicContact CD2-CZ3 3.92Å; F253-W264 AromaticContact CE1-CZ3 3.9Å; F253-W264 HydrophobicContact CE1-CZ3 3.9Å; F253-W264 HydrophobicContact CE2-CH2 4.45Å; F253-W264 AromaticContact CE2-CZ3 3.94Å; F253-W264 HydrophobicContact CE2-CZ3 3.94Å; F253-W264 HydrophobicContact CG-CH2 4.27Å; F253-W264 AromaticContact CG-CZ3 3.88Å; F253-W264 HydrophobicContact CG-CZ3 3.88Å; F253-W264 AromaticContact CZ-CZ3 3.92Å; F253-W264 HydrophobicContact CZ-CZ3 3.92Å; F253-L267 HydrophobicContact CZ-CB 4.15Å; F253-M268 HydrophobicContact CD1-SD 3.86Å; F253-M268 HydrophobicContact CE1-SD 3.4Å; F253-M268 WeakPolarHBondContact CE1-SD 3.41Å; F253-M268 HydrophobicContact CZ-SD 4.47Å
254G91.8Very high94.8Very high10 Ų1035.9 Ų35.910%0.10318%0.181CC..SBendtrans158.7178.8175.400000112.8P252 V256 T257 W264P252-G254 PolarHBondContact O-N 3.42Å; G254-V256 PolarHBondContact O-N 3.07Å; G254-T257 PolarHBondContact O-N 3.37Å; G254-W264 VanDerWaalsContact C-CZ2 3.44Å; G254-W264 VanDerWaalsContact N-CZ3 3.27Å; G254-W264 WeakPolarHBondContact O-CZ2 3.46Å
255E89.2Confident94.6Very high156 Ų15636.1 Ų36.173%0.72919%0.191SC*.THydrogen-bonded Turntrans-55.4-21.7-170.1-65.8-179.4173.500116.3T257 W264E255-T257 PolarHBondContact O-N 2.88Å; E255-W264 HydrophobicContact CG-CB 4.11Å; E255-W264 HydrophobicContact CG-CG 3.96Å
256V88.6Confident94.2Very high57 Ų5736.8 Ų36.835%0.34519%0.194SC..THydrogen-bonded Turntrans-62.3-25172.971.30000112.5M1 H152 P252 G254M1-V256 HydrophobicContact CE-CG1 4Å; M1-V256 HydrophobicContact SD-CG1 3.78Å; H152-V256 HydrophobicContact CB-CB 4.34Å; P252-V256 HydrophobicContact CB-CG1 4.45Å; G254-V256 PolarHBondContact O-N 3.07Å
257T92.6Very high93.9Very high7 Ų733.8 Ų33.84%0.04318%0.183CC..SBendtrans-98.8124.4178-58.70000108.9V234 N251 P252 G254 E255 S259 W264V234-T257 HydrophobicContact CB-CG2 4.14Å; V234-T257 HydrophobicContact CG1-CG2 3.99Å; V234-T257 HydrophobicContact CG2-CG2 4.18Å; N251-T257 HydrophobicContact CB-CG2 3.82Å; N251-T257 WeakPolarHBondContact CB-OG1 3.34Å; P252-T257 PolarHBondContact O-OG1 2.93Å; G254-T257 PolarHBondContact O-N 3.37Å; E255-T257 PolarHBondContact O-N 2.88Å; T257-S259 PolarHBondContact O-N 3.11Å; T257-W264 HydrophobicContact CG2-CZ2 4.49Å; T257-W264 VanDerWaalsContact O-CE2 3.23Å; T257-W264 WeakPolarHBondContact O-CZ2 3.37Å; T257-W264 PolarHBondContact O-NE1 3Å
258D92.6Very high93.5Very high71 Ų7138.9 Ų38.938%0.3821%0.207SC..  trans-56.3123.4176-178.21000111.9R182 L260R182-D258 WeakPolarHBondContact CD-O 3.31Å; R182-D258 PolarHBondContact NH1-O 2.94Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 HydrophobicContact CB-CD2 4.46Å; D258-L260 PolarHBondContact OD1-N 3.44Å; D258-L260 VanDerWaalsContact OD2-CD2 3.27Å; D258-L260 WeakPolarHBondContact OD2-CD2 3.27Å
259S93.2Very high92.8Very high19 Ų1941.4 Ų41.413%0.13323%0.227CC..  trans-82.6-8.2-179.156.70000113.6T257 L261 F262T257-S259 PolarHBondContact O-N 3.11Å; S259-L261 PolarHBondContact O-N 2.89Å; S259-F262 WeakPolarHBondContact CB-O 3.28Å; S259-F262 PolarHBondContact O-N 3.37Å; S259-F262 VanDerWaalsContact O-N 3.08Å; S259-F262 PolarHBondContact OG-O 2.96Å
260L94Very high91.5Very high23 Ų2341.9 Ų41.912%0.1223%0.234CC..THydrogen-bonded Turntrans57-114.4175.2-52.5168.6000112.5R182 S194 Y198 D258 F262R182-L260 HydrophobicContact CB-CD1 3.49Å; R182-L260 VanDerWaalsContact CB-CD1 3.49Å; R182-L260 HydrophobicContact CG-CD1 4.14Å; S194-L260 WeakPolarHBondContact OG-CB 3.38Å; Y198-L260 HydrophobicContact CD1-CB 4.44Å; Y198-L260 HydrophobicContact CD1-CD2 3.95Å; Y198-L260 HydrophobicContact CE1-CD2 4.05Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 HydrophobicContact CB-CD2 4.46Å; D258-L260 PolarHBondContact OD1-N 3.44Å; D258-L260 VanDerWaalsContact OD2-CD2 3.27Å; D258-L260 WeakPolarHBondContact OD2-CD2 3.27Å; L260-F262 PolarHBondContact O-N 3.48Å
261L93.4Very high90Very high48 Ų4849 Ų4925%0.25127%0.267SS..THydrogen-bonded Turntrans-80.210.2-179.8-64.2169.2000113.5S194 Q195 Y198 S259 R292S194-L261 WeakPolarHBondContact OG-CB 3.42Å; S194-L261 PolarHBondContact OG-N 3.24Å; Q195-L261 HydrophobicContact CB-CD1 4.26Å; Y198-L261 HydrophobicContact CG-CD2 4.42Å; S259-L261 PolarHBondContact O-N 2.89Å; L261-R292 HydrophobicContact CB-CB 3.87Å; L261-R292 HydrophobicContact CD1-CB 4.14Å; L261-R292 WeakPolarHBondContact CD1-O 3.26Å; L261-R292 WeakPolarHBondContact O-CD 3.21Å; L261-R292 PolarHBondContact O-NH1 3.01Å
262F94.1Very high88.6Confident10 Ų1047.9 Ų47.94%0.04426%0.262CS..SBendtrans-123.3161.7176.1-62.8-89.8000111.2F184 A192 V193 S259 L260 E266 L267 V272 A290 R292F184-F262 HydrophobicContact CD2-CD2 4.43Å; F184-F262 AromaticContact CE2-CD2 3.87Å; F184-F262 HydrophobicContact CE2-CD2 3.87Å; F184-F262 HydrophobicContact CE2-CE2 4.34Å; A192-F262 HydrophobicContact CB-CD1 4.39Å; A192-F262 HydrophobicContact CB-CE1 3.89Å; A192-F262 HydrophobicContact CB-CE2 4.07Å; A192-F262 HydrophobicContact CB-CZ 3.72Å; V193-F262 WeakPolarHBondContact O-CE2 3.38Å; S259-F262 WeakPolarHBondContact CB-O 3.28Å; S259-F262 PolarHBondContact O-N 3.37Å; S259-F262 VanDerWaalsContact O-N 3.08Å; S259-F262 PolarHBondContact OG-O 2.96Å; L260-F262 PolarHBondContact O-N 3.48Å; F262-E266 WeakPolarHBondContact CA-OE1 3.48Å; F262-E266 VanDerWaalsContact CB-OE1 3.24Å; F262-E266 WeakPolarHBondContact CB-OE1 3.38Å; F262-E266 VanDerWaalsContact CD1-OE1 3.3Å; F262-E266 WeakPolarHBondContact CD1-OE1 3.45Å; F262-L267 HydrophobicContact CB-CD1 3.98Å; F262-L267 HydrophobicContact CB-CD2 4.33Å; F262-L267 HydrophobicContact CB-CG 4.1Å; F262-L267 HydrophobicContact CD1-CD2 4.41Å; F262-L267 HydrophobicContact CG-CD2 4.35Å; F262-V272 HydrophobicContact CD1-CG1 3.96Å; F262-V272 HydrophobicContact CE1-CG1 3.6Å; F262-A290 HydrophobicContact CE1-CB 4.21Å; F262-A290 HydrophobicContact CZ-CB 4.41Å; F262-R292 VanDerWaalsContact CD1-CZ 3.46Å; F262-R292 VanDerWaalsContact CD1-NH1 3.33Å; F262-R292 HydrophobicContact CE1-CB 4.48Å; F262-R292 VanDerWaalsContact CE1-CD 3.41Å; F262-R292 HydrophobicContact CE1-CG 3.8Å; F262-R292 VanDerWaalsContact CE1-NE 3.35Å; F262-R292 HydrophobicContact CE2-CB 3.92Å; F262-R292 HydrophobicContact CE2-CG 4.15Å; F262-R292 HydrophobicContact CZ-CB 3.75Å; F262-R292 HydrophobicContact CZ-CG 3.5Å; F262-R292 VanDerWaalsContact CZ-CG 3.5Å
263S93.6Very high86.8Confident53 Ų5349.8 Ų49.837%0.37127%0.273SS..  trans-97.1154.516472.10000111.2D265 E266 L267S263-D265 VanDerWaalsContact C-N 3.32Å; S263-E266 PolarHBondContact N-OE1 2.76Å; S263-E266 VanDerWaalsContact O-CG 3.3Å; S263-E266 WeakPolarHBondContact O-CG 3.44Å; S263-E266 WeakPolarHBondContact OG-CG 3.39Å; S263-E266 PolarHBondContact OG-N 3.38Å; S263-L267 WeakPolarHBondContact O-CG 3.1Å; S263-L267 PolarHBondContact O-N 3.3Å
264W92.8Very high85Confident23 Ų2349.7 Ų49.79%0.08727%0.273CS..Hα-helixtrans-66.7-35.7172.9-82.9106.2000112F184 V234 F253 G254 E255 T257 E266 L267 M268F184-W264 HydrophobicContact CD1-CH2 4.22Å; F184-W264 HydrophobicContact CE1-CH2 4.21Å; F184-W264 HydrophobicContact CE1-CZ2 4.28Å; V234-W264 HydrophobicContact CG2-CH2 3.89Å; F253-W264 AromaticContact CD1-CZ3 3.86Å; F253-W264 HydrophobicContact CD1-CZ3 3.86Å; F253-W264 HydrophobicContact CD2-CH2 4.16Å; F253-W264 AromaticContact CD2-CZ3 3.92Å; F253-W264 HydrophobicContact CD2-CZ3 3.92Å; F253-W264 AromaticContact CE1-CZ3 3.9Å; F253-W264 HydrophobicContact CE1-CZ3 3.9Å; F253-W264 HydrophobicContact CE2-CH2 4.45Å; F253-W264 AromaticContact CE2-CZ3 3.94Å; F253-W264 HydrophobicContact CE2-CZ3 3.94Å; F253-W264 HydrophobicContact CG-CH2 4.27Å; F253-W264 AromaticContact CG-CZ3 3.88Å; F253-W264 HydrophobicContact CG-CZ3 3.88Å; F253-W264 AromaticContact CZ-CZ3 3.92Å; F253-W264 HydrophobicContact CZ-CZ3 3.92Å; G254-W264 VanDerWaalsContact C-CZ2 3.44Å; G254-W264 VanDerWaalsContact N-CZ3 3.27Å; G254-W264 WeakPolarHBondContact O-CZ2 3.46Å; E255-W264 HydrophobicContact CG-CB 4.11Å; E255-W264 HydrophobicContact CG-CG 3.96Å; T257-W264 HydrophobicContact CG2-CZ2 4.49Å; T257-W264 VanDerWaalsContact O-CE2 3.23Å; T257-W264 WeakPolarHBondContact O-CZ2 3.37Å; T257-W264 PolarHBondContact O-NE1 3Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.73Å; W264-L267 HydrophobicContact CD2-CD1 4.38Å; W264-L267 HydrophobicContact CE3-CB 4.26Å; W264-L267 HydrophobicContact CE3-CD1 4.1Å; W264-L267 HydrophobicContact CH2-CD1 4.49Å; W264-L267 HydrophobicContact CZ3-CD1 4.17Å; W264-L267 PolarHBondContact O-N 3.08Å; W264-M268 HydrophobicContact CE3-CG 4.38Å; W264-M268 HydrophobicContact CE3-SD 4.48Å; W264-M268 VanDerWaalsContact O-CB 3.27Å; W264-M268 WeakPolarHBondContact O-CB 3.37Å; W264-M268 WeakPolarHBondContact O-CG 3.47Å; W264-M268 PolarHBondContact O-N 2.96Å
265D91.9Very high83.2Confident130 Ų13055.6 Ų55.670%0.69530%0.298SS*.Hα-helixtrans-56.1-43.8177.3-70.8-30.1000112.9S263 M268 S269S263-D265 VanDerWaalsContact C-N 3.32Å; D265-M268 PolarHBondContact O-N 3.26Å; D265-S269 WeakPolarHBondContact O-CB 3.44Å; D265-S269 PolarHBondContact O-N 3.07Å; D265-S269 PolarHBondContact O-OG 2.91Å
266E91.1Very high81.5Confident27 Ų2751.9 Ų51.913%0.12628%0.28CS..Hα-helixtrans-74.5-34.3179.573-175.2160.500112.8F262 S263 W264 M268 S269 G270 R292F262-E266 WeakPolarHBondContact CA-OE1 3.48Å; F262-E266 VanDerWaalsContact CB-OE1 3.24Å; F262-E266 WeakPolarHBondContact CB-OE1 3.38Å; F262-E266 VanDerWaalsContact CD1-OE1 3.3Å; F262-E266 WeakPolarHBondContact CD1-OE1 3.45Å; S263-E266 PolarHBondContact N-OE1 2.76Å; S263-E266 VanDerWaalsContact O-CG 3.3Å; S263-E266 WeakPolarHBondContact O-CG 3.44Å; S263-E266 WeakPolarHBondContact OG-CG 3.39Å; S263-E266 PolarHBondContact OG-N 3.38Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.73Å; E266-M268 VanDerWaalsContact C-N 3.31Å; E266-S269 PolarHBondContact O-OG 3.07Å; E266-S269 VanDerWaalsContact O-OG 3.13Å; E266-G270 PolarHBondContact O-N 2.96Å; E266-R292 IonicContact OE1-CZ 2.82Å; E266-R292 IonicContact OE1-NH1 3.5Å; E266-R292 PolarHBondContact OE1-NH1 3.35Å; E266-R292 IonicContact OE1-NH2 2.72Å; E266-R292 IonicContact OE2-CZ 3.47Å; E266-R292 IonicContact OE2-NH1 3.66Å; E266-R292 PolarHBondContact OE2-NH1 3.28Å; E266-R292 IonicContact OE2-NH2 3.48Å; E266-R292 PolarHBondContact OE2-NH2 3.31Å
267L91.8Very high79.7Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-67.3-36.8174.7-67.7169.5000110.9F184 I191 A192 F253 F262 S263 W264 V272F184-L267 HydrophobicContact CB-CD2 3.97Å; F184-L267 HydrophobicContact CD1-CD1 3.52Å; F184-L267 HydrophobicContact CD1-CD2 4.18Å; F184-L267 HydrophobicContact CD1-CG 4.48Å; F184-L267 HydrophobicContact CD2-CD2 4.21Å; F184-L267 HydrophobicContact CE1-CD1 3.55Å; F184-L267 HydrophobicContact CG-CD1 4.04Å; F184-L267 HydrophobicContact CG-CD2 3.86Å; F184-L267 HydrophobicContact CZ-CD1 4.1Å; I191-L267 HydrophobicContact CD1-CD2 4.06Å; A192-L267 HydrophobicContact CB-CD2 3.85Å; F253-L267 HydrophobicContact CZ-CB 4.15Å; F262-L267 HydrophobicContact CB-CD1 3.98Å; F262-L267 HydrophobicContact CB-CD2 4.33Å; F262-L267 HydrophobicContact CB-CG 4.1Å; F262-L267 HydrophobicContact CD1-CD2 4.41Å; F262-L267 HydrophobicContact CG-CD2 4.35Å; S263-L267 WeakPolarHBondContact O-CG 3.1Å; S263-L267 PolarHBondContact O-N 3.3Å; W264-L267 HydrophobicContact CD2-CD1 4.38Å; W264-L267 HydrophobicContact CE3-CB 4.26Å; W264-L267 HydrophobicContact CE3-CD1 4.1Å; W264-L267 HydrophobicContact CH2-CD1 4.49Å; W264-L267 HydrophobicContact CZ3-CD1 4.17Å; W264-L267 PolarHBondContact O-N 3.08Å; L267-V272 HydrophobicContact CD2-CG2 4.28Å
268M89.6Confident77.1Confident106 Ų10662 Ų6252%0.52232%0.323SS..Hα-helixtrans-77.7-32.6179.8-67.1-64.7-72.100112.7K186 F253 W264 D265 E266 G270K186-M268 PolarHBondContact NZ-O 3.39Å; F253-M268 HydrophobicContact CD1-SD 3.86Å; F253-M268 HydrophobicContact CE1-SD 3.4Å; F253-M268 WeakPolarHBondContact CE1-SD 3.41Å; F253-M268 HydrophobicContact CZ-SD 4.47Å; W264-M268 HydrophobicContact CE3-CG 4.38Å; W264-M268 HydrophobicContact CE3-SD 4.48Å; W264-M268 VanDerWaalsContact O-CB 3.27Å; W264-M268 WeakPolarHBondContact O-CB 3.37Å; W264-M268 WeakPolarHBondContact O-CG 3.47Å; W264-M268 PolarHBondContact O-N 2.96Å; D265-M268 PolarHBondContact O-N 3.26Å; E266-M268 VanDerWaalsContact C-N 3.31Å; M268-G270 VanDerWaalsContact C-N 3.29Å; M268-G270 PolarHBondContact O-N 2.87Å
269S84.1Confident74.7Confident69 Ų6962.5 Ų62.548%0.48333%0.329SS..Hα-helixtrans-71.9-24.4175.771.60000112.8D265 E266 E271D265-S269 WeakPolarHBondContact O-CB 3.44Å; D265-S269 PolarHBondContact O-N 3.07Å; D265-S269 PolarHBondContact O-OG 2.91Å; E266-S269 PolarHBondContact O-OG 3.07Å; E266-S269 VanDerWaalsContact O-OG 3.13Å; S269-E271 PolarHBondContact O-N 3.27Å; S269-E271 PolarHBondContact OG-N 3.25Å
270G69.4Low72.3Confident21 Ų2166.1 Ų66.122%0.21635%0.354CS..SBendtrans78.4-2.3-173.700000113.6E266 M268 V272 T283E266-G270 PolarHBondContact O-N 2.96Å; M268-G270 VanDerWaalsContact C-N 3.29Å; M268-G270 PolarHBondContact O-N 2.87Å; G270-V272 VanDerWaalsContact C-N 3.3Å; G270-V272 PolarHBondContact O-N 3.21Å; G270-T283 PolarHBondContact O-OG1 3.39Å
271E68.1Low70Confident149 Ų14967.6 Ų67.670%0.69636%0.36SS*.  trans-90.861.5173.6-61-172.216200109.9S269 V273S269-E271 PolarHBondContact O-N 3.27Å; S269-E271 PolarHBondContact OG-N 3.25Å; E271-V273 PolarHBondContact O-N 2.92Å
272V66.2Low67.5Low5 Ų570.8 Ų70.83%0.0338%0.383CS..  trans-74.398.7177.2-170.60000108.6I191 A192 F262 L267 G270 A290I191-V272 HydrophobicContact CD1-CG2 4.36Å; A192-V272 HydrophobicContact CB-CG1 4.32Å; F262-V272 HydrophobicContact CD1-CG1 3.96Å; F262-V272 HydrophobicContact CE1-CG1 3.6Å; L267-V272 HydrophobicContact CD2-CG2 4.28Å; G270-V272 VanDerWaalsContact C-N 3.3Å; G270-V272 PolarHBondContact O-N 3.21Å; V272-A290 HydrophobicContact CB-CB 4.27Å; V272-A290 HydrophobicContact CG1-CB 3.43Å; V272-A290 VanDerWaalsContact CG1-CB 3.43Å
273V58.6Low65.1Low51 Ų5173.7 Ų73.731%0.30940%0.402SS..  trans-80.3123.5177.9-176.60000109E271 H275 R292E271-V273 PolarHBondContact O-N 2.92Å; V273-H275 PolarHBondContact O-N 3.03Å; V273-H275 VanDerWaalsContact O-N 3.07Å; V273-R292 PolarHBondContact O-NH2 2.88Å
274D58.6Low62.6Low9 Ų979.9 Ų79.95%0.04842%0.422CS..  trans-77.494.5169.2-170.3-2.4000110Q276 Q277D274-Q276 PolarHBondContact O-N 3.13Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.34Å; D274-Q276 PolarHBondContact OD1-N 2.97Å; D274-Q277 PolarHBondContact O-N 3.38Å; D274-Q277 WeakPolarHBondContact OD2-CG 3.4Å
275H52.8Low60.3Low134 Ų13485.8 Ų85.862%0.6245%0.445SS*.THydrogen-bonded Turntrans-63.9-17.2176-67.2-54.6000113.2V273 R292V273-H275 PolarHBondContact O-N 3.03Å; V273-H275 VanDerWaalsContact O-N 3.07Å; H275-R292 PolarHBondContact CD2-NH2 3.2Å
276Q54.7Low58.3Low77 Ų7785.6 Ų85.636%0.3645%0.451SS..THydrogen-bonded Turntrans-81.9-18.4-178.9-56.6-168.6-18.400112.5D274 Y293D274-Q276 PolarHBondContact O-N 3.13Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.34Å; D274-Q276 PolarHBondContact OD1-N 2.97Å; Q276-Y293 PolarHBondContact NE2-O 3.06Å
277Q49.5Very low56.8Low81 Ų8189.3 Ų89.338%0.37947%0.472SS..THydrogen-bonded Turntrans-105.82.1180-68.6-174.49.800115.1D274 V279D274-Q277 PolarHBondContact O-N 3.38Å; D274-Q277 WeakPolarHBondContact OD2-CG 3.4Å; Q277-V279 WeakPolarHBondContact O-CG2 3.49Å; Q277-V279 PolarHBondContact O-N 3.49Å
278Q38.3Very low56.1Low195 Ų19590.9 Ų90.991%0.91149%0.489SS*.THydrogen-bonded Turntrans46.628.9-176.9-80.9-1690.500114.1
279V42.2Very low56.1Low82 Ų8286.6 Ų86.650%0.49747%0.469SS..SBendtrans-131.9118.8175.3-179.90000107Q277 K281Q277-V279 WeakPolarHBondContact O-CG2 3.49Å; Q277-V279 PolarHBondContact O-N 3.49Å; V279-K281 HydrophobicContact CG1-CG 4.35Å; V279-K281 PolarHBondContact O-N 3.41Å
280S42.6Very low56.5Low95 Ų9583.9 Ų83.966%0.66445%0.451SS*.  trans-61.7101.1163.438.70000107.6P282S280-P282 WeakPolarHBondContact O-CD 3.43Å
281K46Very low57.7Low55 Ų5583.1 Ų83.124%0.23944%0.441CS..  trans-84.2108.1172.2-71.4-171.3-177.3-179.40107.8V279 T283 D287V279-K281 HydrophobicContact CG1-CG 4.35Å; V279-K281 PolarHBondContact O-N 3.41Å; K281-T283 PolarHBondContact O-N 3.1Å; K281-D287 HydrophobicContact CD-CB 4.13Å; K281-D287 WeakPolarHBondContact CE-OD2 3.38Å; K281-D287 IonicContact NZ-OD2 2.74Å; K281-D287 PolarHBondContact NZ-OD2 3.28Å
282P41.2Very low58.9Low115 Ų11577 Ų7775%0.74741%0.412SS*.  trans-63.4120.1167.226-31.6000108S280 F284S280-P282 WeakPolarHBondContact O-CD 3.43Å; P282-F284 PolarHBondContact O-N 2.8Å
283T44.6Very low60.2Low71 Ų7177.2 Ų77.244%0.43641%0.412SS..SBendtrans-74.770.1-179.331.70000111.1G270 K281G270-T283 PolarHBondContact O-OG1 3.39Å; K281-T283 PolarHBondContact O-N 3.1Å
284F41.2Very low61.8Low183 Ų18375.5 Ų75.580%0.80340%0.402SS*.SBendtrans-138.150.1159.1-90.9-90.7000109.6P282P282-F284 PolarHBondContact O-N 2.8Å
285Y44.8Very low62.9Low146 Ų14678.8 Ų78.857%0.57342%0.422SS*.SBendtrans55.8123.4172.9-64-79.9000118.1K189K189-Y285 HydrophobicContact CD-CE2 4.2Å; K189-Y285 WeakPolarHBondContact CG-OH 3.49Å
286P47.9Very low64.2Low126 Ų12675.9 Ų75.982%0.81842%0.417SS*.SBend-139.5138619.83.3000117.8
287D60.8Low65.1Low105 Ų10580.3 Ų80.356%0.56144%0.438SS*.SBendtrans-132.642-158-128.128.8000116.6K281K281-D287 HydrophobicContact CD-CB 4.13Å; K281-D287 WeakPolarHBondContact CE-OD2 3.38Å; K281-D287 IonicContact NZ-OD2 2.74Å; K281-D287 PolarHBondContact NZ-OD2 3.28Å
288G76.1Confident65.8Low34 Ų3479.1 Ų79.135%0.35144%0.436SS..  trans71176.3172.300000115.8
289P90.9Very high66.8Low16 Ų1675.2 Ų75.210%0.10443%0.425CS..  trans-71.1156.3172.632.6-34.9000110.9L190 V193 Q217 F291L190-P289 HydrophobicContact CD2-CB 4.35Å; L190-P289 HydrophobicContact CD2-CG 3.93Å; L190-P289 HydrophobicContact CG-CB 3.93Å; L190-P289 HydrophobicContact CG-CG 4.08Å; V193-P289 HydrophobicContact CG2-CB 4.37Å; V193-P289 HydrophobicContact CG2-CG 4.01Å; Q217-P289 HydrophobicContact CG-CG 3.87Å; Q217-P289 VanDerWaalsContact NE2-CD 3.31Å; P289-F291 PolarHBondContact O-N 3.46Å
290A92.8Very high67.6Low12 Ų1278.3 Ų78.310%0.09944%0.444CS..EExtended strand (participates in β ladder)trans-64.4126.6170.300000109.7I191 A192 V193 F262 V272I191-A290 PolarHBondContact O-N 3.32Å; I191-A290 VanDerWaalsContact O-N 3.08Å; A192-A290 CarbonylContact C-O 3.57Å; A192-A290 VanDerWaalsContact CA-O 3.25Å; A192-A290 WeakPolarHBondContact CA-O 3.44Å; A192-A290 HydrophobicContact CB-CB 4.49Å; V193-A290 PolarHBondContact N-O 2.99Å; F262-A290 HydrophobicContact CE1-CB 4.21Å; F262-A290 HydrophobicContact CZ-CB 4.41Å; V272-A290 HydrophobicContact CB-CB 4.27Å; V272-A290 HydrophobicContact CG1-CB 3.43Å; V272-A290 VanDerWaalsContact CG1-CB 3.43Å
291F93.9Very high68.8Low4 Ų477.8 Ų77.82%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-117.1113-179.5-174.8-164.5000110.2F181 V193 I205 E209 I212 P289 Y293F181-F291 AromaticContact CD1-CE2 3.81Å; F181-F291 HydrophobicContact CD1-CE2 3.81Å; F181-F291 HydrophobicContact CD1-CZ 4Å; F181-F291 AromaticContact CE1-CE2 3.84Å; F181-F291 HydrophobicContact CE1-CE2 3.84Å; F181-F291 AromaticContact CE1-CZ 3.63Å; F181-F291 HydrophobicContact CE1-CZ 3.63Å; F181-F291 HydrophobicContact CZ-CZ 4.45Å; V193-F291 HydrophobicContact CB-CD2 3.89Å; V193-F291 HydrophobicContact CB-CE2 4.48Å; V193-F291 HydrophobicContact CB-CG 4.42Å; V193-F291 HydrophobicContact CG1-CD2 3.79Å; V193-F291 HydrophobicContact CG1-CE2 3.88Å; V193-F291 WeakPolarHBondContact O-CA 3.35Å; V193-F291 WeakPolarHBondContact O-CD2 3.49Å; I205-F291 HydrophobicContact CG2-CZ 3.96Å; E209-F291 HydrophobicContact CG-CD1 3.64Å; E209-F291 HydrophobicContact CG-CE1 3.91Å; I212-F291 HydrophobicContact CB-CE1 4.09Å; I212-F291 HydrophobicContact CB-CZ 4.38Å; I212-F291 HydrophobicContact CG2-CE1 3.9Å; I212-F291 HydrophobicContact CG2-CZ 3.76Å; P289-F291 PolarHBondContact O-N 3.46Å; F291-Y293 HydrophobicContact CD1-CD1 4.36Å; F291-Y293 HydrophobicContact CD2-CD1 4.29Å; F291-Y293 HydrophobicContact CE1-CD1 4.27Å; F291-Y293 HydrophobicContact CE2-CD1 4.18Å; F291-Y293 HydrophobicContact CG-CD1 4.38Å; F291-Y293 HydrophobicContact CZ-CD1 4.17Å
292R94.1Very high69.8Low21 Ų2179.2 Ų79.28%0.07945%0.446CS..EExtended strand (participates in β ladder)trans-111.5132.2176.7-67.1-177.5-173.8165.87.4111.3V193 S194 Q195 L261 F262 E266 V273 H275V193-R292 PolarHBondContact O-N 2.87Å; S194-R292 WeakPolarHBondContact CA-O 3.39Å; Q195-R292 PolarHBondContact N-O 2.7Å; L261-R292 HydrophobicContact CB-CB 3.87Å; L261-R292 HydrophobicContact CD1-CB 4.14Å; L261-R292 WeakPolarHBondContact CD1-O 3.26Å; L261-R292 WeakPolarHBondContact O-CD 3.21Å; L261-R292 PolarHBondContact O-NH1 3.01Å; F262-R292 VanDerWaalsContact CD1-CZ 3.46Å; F262-R292 VanDerWaalsContact CD1-NH1 3.33Å; F262-R292 HydrophobicContact CE1-CB 4.48Å; F262-R292 VanDerWaalsContact CE1-CD 3.41Å; F262-R292 HydrophobicContact CE1-CG 3.8Å; F262-R292 VanDerWaalsContact CE1-NE 3.35Å; F262-R292 HydrophobicContact CE2-CB 3.92Å; F262-R292 HydrophobicContact CE2-CG 4.15Å; F262-R292 HydrophobicContact CZ-CB 3.75Å; F262-R292 HydrophobicContact CZ-CG 3.5Å; F262-R292 VanDerWaalsContact CZ-CG 3.5Å; E266-R292 IonicContact OE1-CZ 2.82Å; E266-R292 IonicContact OE1-NH1 3.5Å; E266-R292 PolarHBondContact OE1-NH1 3.35Å; E266-R292 IonicContact OE1-NH2 2.72Å; E266-R292 IonicContact OE2-CZ 3.47Å; E266-R292 IonicContact OE2-NH1 3.66Å; E266-R292 PolarHBondContact OE2-NH1 3.28Å; E266-R292 IonicContact OE2-NH2 3.48Å; E266-R292 PolarHBondContact OE2-NH2 3.31Å; V273-R292 PolarHBondContact O-NH2 2.88Å; H275-R292 PolarHBondContact CD2-NH2 3.2Å
293Y93.2Very high71.3Confident10 Ų1076.7 Ų76.74%0.03943%0.431CS..  trans-146.8164.3175.559.7-88.2000109.9I205 L206 E209 Q276 F291 T295I205-Y293 HydrophobicContact CB-CD2 4.43Å; I205-Y293 HydrophobicContact CG2-CD1 4.04Å; I205-Y293 HydrophobicContact CG2-CD2 3.8Å; I205-Y293 HydrophobicContact CG2-CE2 4.41Å; I205-Y293 HydrophobicContact CG2-CG 3.58Å; L206-Y293 HydrophobicContact CB-CE2 4.05Å; L206-Y293 HydrophobicContact CD1-CE2 4Å; L206-Y293 VanDerWaalsContact CD1-OH 3.26Å; L206-Y293 WeakPolarHBondContact CD1-OH 3.22Å; E209-Y293 HydrophobicContact CB-CE1 4.29Å; E209-Y293 HydrophobicContact CG-CE1 3.66Å; E209-Y293 PolarHBondContact OE2-OH 3.34Å; Q276-Y293 PolarHBondContact NE2-O 3.06Å; F291-Y293 HydrophobicContact CD1-CD1 4.36Å; F291-Y293 HydrophobicContact CD2-CD1 4.29Å; F291-Y293 HydrophobicContact CE1-CD1 4.27Å; F291-Y293 HydrophobicContact CE2-CD1 4.18Å; F291-Y293 HydrophobicContact CG-CD1 4.38Å; F291-Y293 HydrophobicContact CZ-CD1 4.17Å; Y293-T295 HydrophobicContact CD2-CG2 4.37Å; Y293-T295 HydrophobicContact CE2-CG2 4.06Å; Y293-T295 PolarHBondContact O-N 2.94Å
294T90.5Very high72.7Confident15 Ų1576 Ų769%0.09243%0.428CS..  trans-73.8120.6-177.6-600000109.9Y198 Q200 Y201 V298Y198-T294 PolarHBondContact O-OG1 3.4Å; Q200-T294 WeakPolarHBondContact O-CB 3.48Å; Y201-T294 VanDerWaalsContact CD2-O 3.25Å; Y201-T294 WeakPolarHBondContact CD2-O 3.45Å; T294-V298 HydrophobicContact CG2-CG2 3.22Å
295T83.5Confident74.4Confident78 Ų7868.9 Ų68.948%0.47940%0.4SS..  trans-98.5-16.4-167.252.70000115.2Y201 Y293Y201-T295 WeakPolarHBondContact CE2-O 3.47Å; Y293-T295 HydrophobicContact CD2-CG2 4.37Å; Y293-T295 HydrophobicContact CE2-CG2 4.06Å; Y293-T295 PolarHBondContact O-N 2.94Å
296S79.6Confident75.8Confident73 Ų7365.4 Ų65.451%0.5139%0.391SS..SBendtrans-130.2154.8178.8590000110.8Y201 V298Y201-S296 WeakPolarHBondContact CB-O 3.42Å; S296-V298 WeakPolarHBondContact O-CG2 3.42Å; S296-V298 PolarHBondContact O-N 2.69Å
297E73.5Confident77.2Confident169 Ų16962 Ų6279%0.7937%0.37SS*.  trans-52.6108.2166.2-69-179.3-177.100108.5Y201Y201-E297 HydrophobicContact CD1-CG 3.91Å; Y201-E297 HydrophobicContact CE1-CG 4.48Å; Y201-E297 HydrophobicContact CG-CG 4.44Å
298V63.5Low78Confident57 Ų5761 Ų6135%0.34536%0.359SS..  trans-77.3137.7175-154.70000106.4T294 S296 Q301T294-V298 HydrophobicContact CG2-CG2 3.22Å; S296-V298 WeakPolarHBondContact O-CG2 3.42Å; S296-V298 PolarHBondContact O-N 2.69Å; V298-Q301 HydrophobicContact CB-CG 4.35Å; V298-Q301 HydrophobicContact CG1-CG 3.53Å
299T58.9Low78.1Confident112 Ų11265.4 Ų65.469%0.68737%0.366SS*.  trans-58.5155.2164.649.60000109.2Q301T299-Q301 WeakPolarHBondContact O-CG 3.49Å; T299-Q301 PolarHBondContact O-N 3.42Å; T299-Q301 PolarHBondContact O-NE2 3.13Å; T299-Q301 VanDerWaalsContact O-NE2 3.17Å
300V60.5Low77.4Confident148 Ų14868.5 Ų68.590%0.89738%0.38SS*.  trans-42.7109-178.9-179.40000110.8
301Q67.4Low76.6Confident84 Ų8471.9 Ų71.939%0.39340%0.401SS..PPolyproline II helixtrans-97.3141.5174.3-66-56.1-5600109.2T199 V298 T299T199-Q301 HydrophobicContact CG2-CB 4.48Å; V298-Q301 HydrophobicContact CB-CG 4.35Å; V298-Q301 HydrophobicContact CG1-CG 3.53Å; T299-Q301 WeakPolarHBondContact O-CG 3.49Å; T299-Q301 PolarHBondContact O-N 3.42Å; T299-Q301 PolarHBondContact O-NE2 3.13Å; T299-Q301 VanDerWaalsContact O-NE2 3.17Å
302P66.7Low75.7Confident84 Ų8480.4 Ų80.455%0.54543%0.433SS..PPolyproline II helixtrans-62.9145.8172.227.6-32.8000110L306P302-L306 HydrophobicContact CB-CD2 3.77Å
303S72.1Confident74.8Confident63 Ų6383.4 Ų83.444%0.44145%0.451SS..PPolyproline II helixtrans-60.4139.4172177.90000109.7C305 L306S303-C305 PolarHBondContact O-N 2.67Å; S303-C305 VanDerWaalsContact O-N 3.12Å; S303-C305 PolarHBondContact OG-N 2.71Å; S303-L306 WeakPolarHBondContact O-CB 3.34Å; S303-L306 PolarHBondContact O-N 2.99Å
304P75.1Confident73.9Confident57 Ų5788.6 Ų88.637%0.3747%0.474SS..THydrogen-bonded Turntrans-59.5-24.6175.2-23.835000112.9Y198 T199 L306Y198-P304 HydrophobicContact CE1-CG 4.22Å; T199-P304 HydrophobicContact CG2-CG 4.08Å; P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 PolarHBondContact O-N 3.32Å
305C77.1Confident73.2Confident32 Ų3289.8 Ų89.822%0.21648%0.481CS..THydrogen-bonded Turntrans-85.53.5177.2-64.20000113.5S303 Y308S303-C305 PolarHBondContact O-N 2.67Å; S303-C305 VanDerWaalsContact O-N 3.12Å; S303-C305 PolarHBondContact OG-N 2.71Å; C305-Y308 PolarHBondContact O-N 3.35Å
306L74.4Confident72.8Confident73 Ų7387.1 Ų87.138%0.38246%0.464SS..SBendtrans-68.8-34.3-176-172.966.4000112.6P302 S303 P304 Y308 R309P302-L306 HydrophobicContact CB-CD2 3.77Å; S303-L306 WeakPolarHBondContact O-CB 3.34Å; S303-L306 PolarHBondContact O-N 2.99Å; P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 PolarHBondContact O-N 3.32Å; L306-Y308 PolarHBondContact O-N 3.37Å; L306-R309 WeakPolarHBondContact O-CB 3.3Å; L306-R309 PolarHBondContact O-N 3.17Å; L306-R309 VanDerWaalsContact O-N 3.1Å
307S75.8Confident72.6Confident54 Ų5485.8 Ų85.838%0.37845%0.451SS..G310 helixtrans-60.1-3217849.10000112.7R309 I310S307-R309 PolarHBondContact O-N 2.96Å; S307-I310 PolarHBondContact O-N 3Å
308Y77.9Confident72.6Confident85 Ų8582.6 Ų82.633%0.33345%0.447SS..G310 helixtrans-72.5-4.7178.5-61.7-88.9000113.9D114 D140 F141 C305 L306D114-Y308 HydrophobicContact CB-CD1 4.03Å; D114-Y308 HydrophobicContact CB-CD2 4.16Å; D114-Y308 HydrophobicContact CB-CG 3.78Å; D140-Y308 HydrophobicContact CB-CD1 3.96Å; D140-Y308 HydrophobicContact CB-CE1 4.01Å; D140-Y308 VanDerWaalsContact OD2-CD1 3.26Å; D140-Y308 WeakPolarHBondContact OD2-CD1 3.3Å; F141-Y308 HydrophobicContact CE1-CE1 4.06Å; F141-Y308 HydrophobicContact CE1-CE2 4.43Å; F141-Y308 AromaticContact CE1-CZ 3.73Å; F141-Y308 WeakPolarHBondContact CE1-OH 3.27Å; F141-Y308 HydrophobicContact CZ-CE2 4.25Å; C305-Y308 PolarHBondContact O-N 3.35Å; L306-Y308 PolarHBondContact O-N 3.37Å
309R77.8Confident73.1Confident127 Ų12782.7 Ų82.748%0.47945%0.454SS..G310 helixtrans-92-5.9173.8-53.5-168.3-174.7-165.6-10.3113.1W117 L306 S307W117-R309 HydrophobicContact CB-CG 3.83Å; W117-R309 HydrophobicContact CG-CG 3.85Å; L306-R309 WeakPolarHBondContact O-CB 3.3Å; L306-R309 PolarHBondContact O-N 3.17Å; L306-R309 VanDerWaalsContact O-N 3.1Å; S307-R309 PolarHBondContact O-N 2.96Å
310I77.2Confident73.6Confident81 Ų8180.4 Ų80.442%0.41545%0.452SS..SBendtrans-118.2140.4-170.2-58.3173.8000107.3S307 R312 F314 V315S307-I310 PolarHBondContact O-N 3Å; I310-R312 PolarHBondContact O-N 3.21Å; I310-F314 HydrophobicContact CG2-CB 3.57Å; I310-F314 HydrophobicContact CG2-CG 4.3Å; I310-V315 HydrophobicContact CB-CG2 4.3Å; I310-V315 HydrophobicContact CG2-CG2 4.4Å
311P76.7Confident74.1Confident82 Ų8280.9 Ų80.953%0.53245%0.445SS..  trans-55.7139.6176.9-22.531.5000111.3D313 F314 V315P311-D313 PolarHBondContact O-N 2.66Å; P311-D313 VanDerWaalsContact O-N 3.07Å; P311-F314 HydrophobicContact CB-CD2 4.09Å; P311-F314 HydrophobicContact CG-CD2 4.15Å; P311-F314 PolarHBondContact O-N 2.67Å; P311-V315 PolarHBondContact O-N 3.1Å
312R74.9Confident74.2Confident183 Ų18379.3 Ų79.369%0.69144%0.439SS*.Hα-helixtrans-54.5-34.3-174.6-160.6166.3-166149.32.8112.8I310 F314 V315 D316I310-R312 PolarHBondContact O-N 3.21Å; R312-F314 VanDerWaalsContact C-N 3.32Å; R312-F314 PolarHBondContact O-N 3.48Å; R312-V315 WeakPolarHBondContact O-CB 3.48Å; R312-V315 PolarHBondContact O-N 3.49Å; R312-V315 VanDerWaalsContact O-N 3.11Å; R312-D316 PolarHBondContact O-N 3.3Å
313D74.6Confident74.5Confident85 Ų8578.5 Ų78.546%0.45544%0.44SS..Hα-helixtrans-57.7-42.4176.2-62.3-23000112.8P311 L317 K325P311-D313 PolarHBondContact O-N 2.66Å; P311-D313 VanDerWaalsContact O-N 3.07Å; D313-L317 VanDerWaalsContact O-CB 3.3Å; D313-L317 WeakPolarHBondContact O-CB 3.48Å; D313-L317 WeakPolarHBondContact O-CD1 3.06Å; D313-L317 WeakPolarHBondContact O-CG 3.39Å; D313-L317 PolarHBondContact O-N 3.23Å; D313-K325 HydrophobicContact CB-CD 4.26Å; D313-K325 WeakPolarHBondContact OD1-CD 3.3Å; D313-K325 VanDerWaalsContact OD1-CE 3.3Å; D313-K325 WeakPolarHBondContact OD1-CE 3.46Å; D313-K325 IonicContact OD1-NZ 2.78Å; D313-K325 PolarHBondContact OD1-NZ 3.33Å
314F73.6Confident74.7Confident118 Ų11883.9 Ų83.952%0.51845%0.451SS..Hα-helixtrans-69.5-35.1176.8-76.8-93000112.2I310 P311 R312 S318I310-F314 HydrophobicContact CG2-CB 3.57Å; I310-F314 HydrophobicContact CG2-CG 4.3Å; P311-F314 HydrophobicContact CB-CD2 4.09Å; P311-F314 HydrophobicContact CG-CD2 4.15Å; P311-F314 PolarHBondContact O-N 2.67Å; R312-F314 VanDerWaalsContact C-N 3.32Å; R312-F314 PolarHBondContact O-N 3.48Å; F314-S318 WeakPolarHBondContact O-CB 3.23Å; F314-S318 PolarHBondContact O-N 2.83Å; F314-S318 PolarHBondContact O-OG 2.65Å
315V75.9Confident74.7Confident40 Ų4083.6 Ų83.624%0.24244%0.444CS..Hα-helixtrans-64.2-50.8175.8-179.60000109.7I310 P311 R312 L317 S318 A319I310-V315 HydrophobicContact CB-CG2 4.3Å; I310-V315 HydrophobicContact CG2-CG2 4.4Å; P311-V315 PolarHBondContact O-N 3.1Å; R312-V315 WeakPolarHBondContact O-CB 3.48Å; R312-V315 PolarHBondContact O-N 3.49Å; R312-V315 VanDerWaalsContact O-N 3.11Å; V315-L317 VanDerWaalsContact C-N 3.31Å; V315-L317 PolarHBondContact O-N 2.99Å; V315-S318 PolarHBondContact O-N 2.91Å; V315-S318 PolarHBondContact O-OG 2.93Å; V315-A319 WeakPolarHBondContact O-CB 3.43Å; V315-A319 PolarHBondContact O-N 2.71Å
316D75.9Confident74.4Confident22 Ų2286.4 Ų86.412%0.11846%0.457CS..Hα-helixtrans-62.8-38.7-178.9-60.6-13.3000111.7R312 A319 G320 E321 D322 K325R312-D316 PolarHBondContact O-N 3.3Å; D316-A319 PolarHBondContact O-N 2.94Å; D316-G320 PolarHBondContact O-N 2.82Å; D316-E321 PolarHBondContact O-N 3.47Å; D316-D322 HydrophobicContact CB-CB 4.38Å; D316-K325 HydrophobicContact CB-CD 4.12Å; D316-K325 IonicContact OD2-NZ 3.35Å; D316-K325 PolarHBondContact OD2-NZ 2.91Å
317L76.1Confident74.5Confident46 Ų4686.8 Ų86.824%0.24146%0.458CS..Hα-helixtrans-60.5-44.7172.2-76.1170.4000112D313 V315 G320 K325 L326 F329D313-L317 VanDerWaalsContact O-CB 3.3Å; D313-L317 WeakPolarHBondContact O-CB 3.48Å; D313-L317 WeakPolarHBondContact O-CD1 3.06Å; D313-L317 WeakPolarHBondContact O-CG 3.39Å; D313-L317 PolarHBondContact O-N 3.23Å; V315-L317 VanDerWaalsContact C-N 3.31Å; V315-L317 PolarHBondContact O-N 2.99Å; L317-G320 PolarHBondContact O-N 3.48Å; L317-K325 HydrophobicContact CD2-CB 4.02Å; L317-K325 HydrophobicContact CG-CB 4.27Å; L317-L326 HydrophobicContact CD2-CB 3.57Å; L317-L326 HydrophobicContact CD2-CD1 3.94Å; L317-L326 HydrophobicContact CD2-CG 4.37Å; L317-F329 HydrophobicContact CD1-CB 4.5Å
318S72.4Confident74.7Confident102 Ų10288.2 Ų88.271%0.71346%0.462SS*.Hα-helixtrans-71.6-33-179.174.20000113F314 V315 G320F314-S318 WeakPolarHBondContact O-CB 3.23Å; F314-S318 PolarHBondContact O-N 2.83Å; F314-S318 PolarHBondContact O-OG 2.65Å; V315-S318 PolarHBondContact O-N 2.91Å; V315-S318 PolarHBondContact O-OG 2.93Å; S318-G320 VanDerWaalsContact C-N 3.35Å
319A73.8Confident74.6Confident59 Ų5988.8 Ų88.849%0.48847%0.466SS..Hα-helixtrans-79.9-18.4177.100000112.6V315 D316 E321V315-A319 WeakPolarHBondContact O-CB 3.43Å; V315-A319 PolarHBondContact O-N 2.71Å; D316-A319 PolarHBondContact O-N 2.94Å; A319-E321 VanDerWaalsContact C-N 3.27Å; A319-E321 HydrophobicContact CB-CG 3.86Å
320G69.3Low74.6Confident63 Ų6387.4 Ų87.465%0.64947%0.468SS*.THydrogen-bonded Turntrans72.620.4-177.400000113.4D316 L317 S318D316-G320 PolarHBondContact O-N 2.82Å; L317-G320 PolarHBondContact O-N 3.48Å; S318-G320 VanDerWaalsContact C-N 3.35Å
321E70.6Confident74.7Confident159 Ų15989.1 Ų89.174%0.74347%0.472SS*.  trans-77.6-28.5-176.5-69.4-175.5173.100112.3D316 A319D316-E321 PolarHBondContact O-N 3.47Å; A319-E321 VanDerWaalsContact C-N 3.27Å; A319-E321 HydrophobicContact CB-CG 3.86Å
322D71.1Confident74.8Confident51 Ų5190.4 Ų90.427%0.27347%0.474SS..  trans-128.9101.2-178.4-164.8-17.3000112.8D316 Y324 K325D316-D322 HydrophobicContact CB-CB 4.38Å; D322-Y324 VanDerWaalsContact C-N 3.25Å; D322-Y324 PolarHBondContact O-N 2.7Å; D322-Y324 WeakPolarHBondContact OD1-CB 3.39Å; D322-Y324 PolarHBondContact OD1-N 2.89Å; D322-K325 HydrophobicContact CB-CB 4.46Å; D322-K325 HydrophobicContact CB-CD 4.13Å; D322-K325 HydrophobicContact CB-CG 4.14Å; D322-K325 WeakPolarHBondContact OD2-CE 3.3Å
323A72.3Confident74.7Confident67 Ų6784 Ų8455%0.55446%0.456SS*.Hα-helixtrans-67.9-22.5177.600000113.3L326 I327A323-L326 PolarHBondContact O-N 2.91Å; A323-I327 WeakPolarHBondContact O-CD1 3.4Å; A323-I327 VanDerWaalsContact O-CG1 3.3Å; A323-I327 WeakPolarHBondContact O-CG1 3.37Å; A323-I327 PolarHBondContact O-N 3.4Å
324Y76.4Confident74.7Confident175 Ų17585.8 Ų85.869%0.68646%0.459SS*.Hα-helixtrans-73.6-39.5-179.2-66.3-79.7000111.5D322 L326 I327 D328D322-Y324 VanDerWaalsContact C-N 3.25Å; D322-Y324 PolarHBondContact O-N 2.7Å; D322-Y324 WeakPolarHBondContact OD1-CB 3.39Å; D322-Y324 PolarHBondContact OD1-N 2.89Å; Y324-L326 PolarHBondContact O-N 3.49Å; Y324-I327 WeakPolarHBondContact O-CB 3.44Å; Y324-I327 PolarHBondContact O-N 2.93Å; Y324-I327 VanDerWaalsContact O-N 3.1Å; Y324-D328 PolarHBondContact O-N 3.1Å
325K74.4Confident74.5Confident51 Ų5183.1 Ų83.122%0.22246%0.455CS..Hα-helixtrans-60-36.3174.3-66.6-174.6-175.9-165.80112.2D313 D316 L317 D322 D328 F329D313-K325 HydrophobicContact CB-CD 4.26Å; D313-K325 WeakPolarHBondContact OD1-CD 3.3Å; D313-K325 VanDerWaalsContact OD1-CE 3.3Å; D313-K325 WeakPolarHBondContact OD1-CE 3.46Å; D313-K325 IonicContact OD1-NZ 2.78Å; D313-K325 PolarHBondContact OD1-NZ 3.33Å; D316-K325 HydrophobicContact CB-CD 4.12Å; D316-K325 IonicContact OD2-NZ 3.35Å; D316-K325 PolarHBondContact OD2-NZ 2.91Å; L317-K325 HydrophobicContact CD2-CB 4.02Å; L317-K325 HydrophobicContact CG-CB 4.27Å; D322-K325 HydrophobicContact CB-CB 4.46Å; D322-K325 HydrophobicContact CB-CD 4.13Å; D322-K325 HydrophobicContact CB-CG 4.14Å; D322-K325 WeakPolarHBondContact OD2-CE 3.3Å; K325-D328 PolarHBondContact O-N 3.25Å; K325-F329 WeakPolarHBondContact O-CB 3.44Å; K325-F329 PolarHBondContact O-N 3.32Å
326L72Confident74.2Confident91 Ų9186.8 Ų86.848%0.47647%0.469SS..Hα-helixtrans-66.2-42175.6-177.664.4000111.4L317 A323 Y324 D328 F329 L330L317-L326 HydrophobicContact CD2-CB 3.57Å; L317-L326 HydrophobicContact CD2-CD1 3.94Å; L317-L326 HydrophobicContact CD2-CG 4.37Å; A323-L326 PolarHBondContact O-N 2.91Å; Y324-L326 PolarHBondContact O-N 3.49Å; L326-D328 VanDerWaalsContact C-N 3.33Å; L326-F329 PolarHBondContact O-N 3.5Å; L326-L330 HydrophobicContact CG-CD1 4.19Å; L326-L330 WeakPolarHBondContact O-CB 3.43Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.33Å; L326-L330 PolarHBondContact O-N 3.17Å
327I76.8Confident73.8Confident81 Ų8191.4 Ų91.442%0.41549%0.491SS..Hα-helixtrans-63.5-41.6177.1-67.4163.4000110.6A323 Y324 L330 K331A323-I327 WeakPolarHBondContact O-CD1 3.4Å; A323-I327 VanDerWaalsContact O-CG1 3.3Å; A323-I327 WeakPolarHBondContact O-CG1 3.37Å; A323-I327 PolarHBondContact O-N 3.4Å; Y324-I327 WeakPolarHBondContact O-CB 3.44Å; Y324-I327 PolarHBondContact O-N 2.93Å; Y324-I327 VanDerWaalsContact O-N 3.1Å; I327-L330 PolarHBondContact O-N 3.01Å; I327-K331 HydrophobicContact CG2-CD 4.45Å; I327-K331 WeakPolarHBondContact O-CG 3.43Å; I327-K331 PolarHBondContact O-N 3.41Å
328D78.7Confident73.6Confident84 Ų8493.5 Ų93.545%0.44950%0.499SS..Hα-helixtrans-71.7-38.3-180-69.9-19.6000112.2Y324 K325 L326 L330 K331 L332Y324-D328 PolarHBondContact O-N 3.1Å; K325-D328 PolarHBondContact O-N 3.25Å; L326-D328 VanDerWaalsContact C-N 3.33Å; D328-L330 PolarHBondContact O-N 3.27Å; D328-K331 PolarHBondContact O-N 3.3Å; D328-K331 IonicContact OD1-NZ 2.8Å; D328-K331 PolarHBondContact OD1-NZ 2.98Å; D328-L332 PolarHBondContact O-N 3.29Å
329F76.1Confident73.4Confident97 Ų9794.4 Ų94.443%0.42549%0.492SS..Hα-helixtrans-58.6-46.5170.2-176.6-97.5000111.9L317 K325 L326 K331 L332 T333L317-F329 HydrophobicContact CD1-CB 4.5Å; K325-F329 WeakPolarHBondContact O-CB 3.44Å; K325-F329 PolarHBondContact O-N 3.32Å; L326-F329 PolarHBondContact O-N 3.5Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 3.04Å; F329-L332 WeakPolarHBondContact O-CB 3.41Å; F329-L332 PolarHBondContact O-N 3.03Å; F329-L332 VanDerWaalsContact O-N 3.17Å; F329-T333 HydrophobicContact CD1-CG2 4.49Å; F329-T333 HydrophobicContact CE1-CG2 4Å; F329-T333 HydrophobicContact CZ-CG2 4.14Å; F329-T333 PolarHBondContact O-N 3.37Å; F329-T333 PolarHBondContact O-OG1 3.5Å
330L78Confident73Confident99 Ų9994.3 Ų94.352%0.51849%0.488SS..Hα-helixtrans-63.4-36.1178.5-73.1170.9000112.8L326 I327 D328 T333 K334L326-L330 HydrophobicContact CG-CD1 4.19Å; L326-L330 WeakPolarHBondContact O-CB 3.43Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.33Å; L326-L330 PolarHBondContact O-N 3.17Å; I327-L330 PolarHBondContact O-N 3.01Å; D328-L330 PolarHBondContact O-N 3.27Å; L330-T333 WeakPolarHBondContact CA-OG1 3.22Å; L330-T333 PolarHBondContact O-OG1 2.84Å; L330-K334 WeakPolarHBondContact O-CB 3.37Å; L330-K334 PolarHBondContact O-N 3.3Å; L330-K334 VanDerWaalsContact O-N 3.13Å
331K79.9Confident72.7Confident117 Ų11797.2 Ų97.251%0.50948%0.484SS..Hα-helixtrans-65.4-42.5173.3-72.5169.3-168.61560111.3I327 D328 F329 T333 K334 S335I327-K331 HydrophobicContact CG2-CD 4.45Å; I327-K331 WeakPolarHBondContact O-CG 3.43Å; I327-K331 PolarHBondContact O-N 3.41Å; D328-K331 PolarHBondContact O-N 3.3Å; D328-K331 IonicContact OD1-NZ 2.8Å; D328-K331 PolarHBondContact OD1-NZ 2.98Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 3.04Å; K331-T333 PolarHBondContact O-N 3.13Å; K331-K334 WeakPolarHBondContact O-CB 3.44Å; K331-K334 PolarHBondContact O-N 3.03Å; K331-K334 VanDerWaalsContact O-N 3.16Å; K331-S335 PolarHBondContact O-N 3.48Å; K331-S335 PolarHBondContact O-OG 3.43Å
332L77.9Confident72.2Confident109 Ų10996 Ų9657%0.57148%0.479SS*.Hα-helixtrans-61.1-45.7179.3-131.6117.3000111.5D328 F329 K334 S335 Q336D328-L332 PolarHBondContact O-N 3.29Å; F329-L332 WeakPolarHBondContact O-CB 3.41Å; F329-L332 PolarHBondContact O-N 3.03Å; F329-L332 VanDerWaalsContact O-N 3.17Å; L332-K334 VanDerWaalsContact C-N 3.27Å; L332-K334 PolarHBondContact O-N 2.95Å; L332-S335 PolarHBondContact O-N 2.99Å; L332-Q336 PolarHBondContact O-N 3.29Å
333T73.1Confident71.6Confident49 Ų49100.4 Ų100.430%0.30150%0.497SS..Hα-helixtrans-63.4-33.8175.746.20000112.7F329 L330 K331 Q337F329-T333 HydrophobicContact CD1-CG2 4.49Å; F329-T333 HydrophobicContact CE1-CG2 4Å; F329-T333 HydrophobicContact CZ-CG2 4.14Å; F329-T333 PolarHBondContact O-N 3.37Å; F329-T333 PolarHBondContact O-OG1 3.5Å; L330-T333 WeakPolarHBondContact CA-OG1 3.22Å; L330-T333 PolarHBondContact O-OG1 2.84Å; K331-T333 PolarHBondContact O-N 3.13Å; T333-Q337 PolarHBondContact O-N 2.97Å
334K75.2Confident71Confident121 Ų121104.5 Ų104.553%0.52651%0.505SS..Hα-helixtrans-69.5-42.9177.4-170.9-178.9177.3-156.70111.2L330 K331 L332 Q337 E338L330-K334 WeakPolarHBondContact O-CB 3.37Å; L330-K334 PolarHBondContact O-N 3.3Å; L330-K334 VanDerWaalsContact O-N 3.13Å; K331-K334 WeakPolarHBondContact O-CB 3.44Å; K331-K334 PolarHBondContact O-N 3.03Å; K331-K334 VanDerWaalsContact O-N 3.16Å; L332-K334 VanDerWaalsContact C-N 3.27Å; L332-K334 PolarHBondContact O-N 2.95Å; K334-Q337 PolarHBondContact O-N 3.17Å; K334-E338 WeakPolarHBondContact CE-OE1 3.46Å; K334-E338 IonicContact NZ-OE1 3.59Å; K334-E338 WeakPolarHBondContact O-CG 3.39Å; K334-E338 PolarHBondContact O-N 3.42Å
335S69.8Low70.1Confident62 Ų62104.3 Ų104.343%0.43451%0.511SS..Hα-helixtrans-63.8-39.1175.1-64.20000112.4K331 L332 E338 E339K331-S335 PolarHBondContact O-N 3.48Å; K331-S335 PolarHBondContact O-OG 3.43Å; L332-S335 PolarHBondContact O-N 2.99Å; S335-E338 PolarHBondContact O-N 2.81Å; S335-E339 WeakPolarHBondContact O-CG 3.49Å; S335-E339 PolarHBondContact O-N 3.18Å
336Q68.6Low69.2Low117 Ų117109.8 Ų109.855%0.54754%0.537SS..Hα-helixtrans-66.5-35.6174.4-74.6-177.6-3.800113L332 S340L332-Q336 PolarHBondContact O-N 3.29Å; Q336-S340 WeakPolarHBondContact O-CB 3.37Å; Q336-S340 PolarHBondContact O-N 2.82Å; Q336-S340 PolarHBondContact O-OG 2.94Å
337Q68Low68.5Low120 Ų120112 Ų11256%0.56155%0.549SS*.Hα-helixtrans-65.9-44.6173.1-84.7-177.6-41.400111.6T333 K334 S340 E341T333-Q337 PolarHBondContact O-N 2.97Å; K334-Q337 PolarHBondContact O-N 3.17Å; Q337-S340 WeakPolarHBondContact CA-OG 3.4Å; Q337-S340 PolarHBondContact O-N 3.32Å; Q337-S340 PolarHBondContact O-OG 3.16Å; Q337-E341 WeakPolarHBondContact O-CB 3.49Å; Q337-E341 WeakPolarHBondContact O-CG 3.36Å; Q337-E341 PolarHBondContact O-N 2.91Å
338E70.8Confident67.4Low89 Ų89112.7 Ų112.742%0.41656%0.559SS.*Hα-helixtrans-61.8-42.8176.7-71.4171.3175.700111.2K334 S335 E341 E342K334-E338 WeakPolarHBondContact CE-OE1 3.46Å; K334-E338 IonicContact NZ-OE1 3.59Å; K334-E338 WeakPolarHBondContact O-CG 3.39Å; K334-E338 PolarHBondContact O-N 3.42Å; S335-E338 PolarHBondContact O-N 2.81Å; E338-E341 PolarHBondContact O-N 3.35Å; E338-E342 WeakPolarHBondContact O-CG 3.12Å; E338-E342 PolarHBondContact O-N 3.42Å; E338-E342 VanDerWaalsContact O-N 3.09Å
339E68.7Low66.4Low122 Ų122115 Ų11557%0.5758%0.579SS**Hα-helixtrans-64.6-40.1174.4-77.1176.3168.900112.7S335 E342 E343S335-E339 WeakPolarHBondContact O-CG 3.49Å; S335-E339 PolarHBondContact O-N 3.18Å; E339-E342 PolarHBondContact O-N 3.13Å; E339-E343 PolarHBondContact O-N 3.39Å
340S65.1Low65.1Low57 Ų57123.2 Ų123.240%0.39962%0.619SS.*Hα-helixtrans-69.2-33.1177.765.50000113.6Q336 Q337 E344Q336-S340 WeakPolarHBondContact O-CB 3.37Å; Q336-S340 PolarHBondContact O-N 2.82Å; Q336-S340 PolarHBondContact O-OG 2.94Å; Q337-S340 WeakPolarHBondContact CA-OG 3.4Å; Q337-S340 PolarHBondContact O-N 3.32Å; Q337-S340 PolarHBondContact O-OG 3.16Å; S340-E344 PolarHBondContact O-N 3.38Å; S340-E344 VanDerWaalsContact O-N 3.13Å
341E63.4Low64.4Low123 Ų123124.5 Ų124.558%0.57562%0.624SS**Hα-helixtrans-71.3-35.3175.2-74178-176.500111Q337 E338 E345Q337-E341 WeakPolarHBondContact O-CB 3.49Å; Q337-E341 WeakPolarHBondContact O-CG 3.36Å; Q337-E341 PolarHBondContact O-N 2.91Å; E338-E341 PolarHBondContact O-N 3.35Å; E341-E345 PolarHBondContact O-N 3.09Å
342E61Low63.6Low134 Ų134124.8 Ų124.863%0.62663%0.63SS**Hα-helixtrans-69-37.9173.8-73-178.6179.100112.4E338 E339 E345 E346E338-E342 WeakPolarHBondContact O-CG 3.12Å; E338-E342 PolarHBondContact O-N 3.42Å; E338-E342 VanDerWaalsContact O-N 3.09Å; E339-E342 PolarHBondContact O-N 3.13Å; E342-E345 PolarHBondContact O-N 3.15Å; E342-E346 PolarHBondContact O-N 3.39Å; E342-E346 VanDerWaalsContact O-N 3.15Å
343E58.3Low62.8Low143 Ų143125.7 Ų125.767%0.66863%0.633SS**Hα-helixtrans-69.3-34.8175.4-74.9-173.3170.500113.4E339 E346 N347E339-E343 PolarHBondContact O-N 3.39Å; E343-E346 PolarHBondContact O-N 2.97Å; E343-N347 PolarHBondContact O-N 3.02Å
344E58.3Low62.2Low154 Ų154130.2 Ų130.272%0.7265%0.652SS**Hα-helixtrans-69.5-31.1173.3-79.9-168.216900112.7S340S340-E344 PolarHBondContact O-N 3.38Å; S340-E344 VanDerWaalsContact O-N 3.13Å
345E58.3Low61.4Low171 Ų171130.8 Ų130.880%0.79966%0.66SS**Hα-helixtrans-72.7-30.9173.2-77.4-164.4164.900112.8E341 E342E341-E345 PolarHBondContact O-N 3.09Å; E342-E345 PolarHBondContact O-N 3.15Å
346E55.2Low60.8Low165 Ų165135.4 Ų135.477%0.77168%0.675SS**Hα-helixtrans-81.5-25.1178.1-75.5-160.9154.900114.3E342 E343E342-E346 PolarHBondContact O-N 3.39Å; E342-E346 VanDerWaalsContact O-N 3.15Å; E343-E346 PolarHBondContact O-N 2.97Å
347N58.1Low60.3Low138 Ų138136.7 Ų136.774%0.73869%0.685SS**SBendtrans-129.575.3177.6-80.9-48000113.3E343E343-N347 PolarHBondContact O-N 3.02Å
348P53.1Low59.7Low95 Ų95138 Ų13862%0.61769%0.694SS**  trans-66.4138.8175.626.2-32.4000111Q350P348-Q350 PolarHBondContact O-N 3.19Å
349P57.2Low58.7Low133 Ų133142.1 Ų142.186%0.86472%0.717SS**  trans-62.7132.2179.623.4-31.2000111
350Q48.4Very low57.8Low270 Ų270143.9 Ų143.9100%1.26273%0.731SS**  trans-65.80-178.3-83-171.9-11.700114.6P348P348-Q350 PolarHBondContact O-N 3.19Å

Retrieved 350 of 350 residues in 70.7 ms (Link to these results)

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