A0A6D2Y3C8_PANTR Loading...

Arp2/3 complex 34 kDa subunit

Actin-binding component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. Seems to contact the mother actin filament. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A6D2Y3C8, Species PANTR (Pan troglodytes, Chimpanzee), Gene ARPC2, Length 300 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
1M84.4Confident96.3Very high133 Ų13368.5 Ų68.566%0.65534%0.335SS*.  0118.40-172.7173.884.800107.4L3 L4 E5M1-L3 WeakPolarHBondContact CG-O 3.4Å; M1-L4 HydrophobicContact CE-CD2 3.91Å; M1-E5 HydrophobicContact SD-CG 4Å
2I94.4Very high96.5Very high119 Ų11965.8 Ų65.861%0.6132%0.321SS*.  trans-98.3-62.2179.6-62.6175.1000109.1Y250 H254I2-Y250 HydrophobicContact CG2-CE2 4.35Å; I2-Y250 VanDerWaalsContact O-CE2 3.27Å; I2-Y250 WeakPolarHBondContact O-CE2 3.32Å; I2-H254 PolarHBondContact O-CE1 3.1Å; I2-H254 PolarHBondContact O-NE2 3.19Å
3L96.4Very high96.7Very high104 Ų10470.2 Ų70.255%0.54534%0.34SS..SBendtrans-72.5142.4170.2-62.3177000109.4M1 L243 Y250M1-L3 WeakPolarHBondContact CG-O 3.4Å; L3-L243 HydrophobicContact CD1-CD2 4.14Å; L3-L243 HydrophobicContact CD2-CD2 4.29Å; L3-Y250 HydrophobicContact CD2-CD2 4.28Å; L3-Y250 HydrophobicContact CD2-CE2 3.88Å
4L96.9Very high96.8Very high17 Ų1766.9 Ų66.99%0.08933%0.326CS..PPolyproline II helixtrans-70.6146.4171.1-63.6-177.3000109.6M1 D249 Y253M1-L4 HydrophobicContact CE-CD2 3.91Å; L4-D249 HydrophobicContact CD1-CB 3.61Å; L4-Y253 HydrophobicContact CD2-CD1 3.94Å; L4-Y253 HydrophobicContact CD2-CD2 4.17Å; L4-Y253 HydrophobicContact CD2-CE1 4.33Å; L4-Y253 HydrophobicContact CD2-CG 3.85Å
5E97.3Very high96.9Very high81 Ų8162.4 Ų62.438%0.37931%0.305SS..PPolyproline II helixtrans-70.5148.7170.4-65.7174.8174.100109.7M1 R9M1-E5 HydrophobicContact SD-CG 4Å; E5-R9 IonicContact OE1-CZ 3.09Å; E5-R9 IonicContact OE1-NE 2.73Å; E5-R9 IonicContact OE1-NH2 2.65Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å; E5-R9 IonicContact OE2-CZ 3.74Å; E5-R9 IonicContact OE2-NE 2.87Å; E5-R9 PolarHBondContact OE2-NE 2.9Å; E5-R9 IonicContact OE2-NH2 3.99Å; E5-R9 PolarHBondContact OE2-NH2 3.23Å
6V97.9Very high97Very high38 Ų3861.3 Ų61.323%0.2331%0.308CS..  trans-97-37.1-177.2173.90000111.3R118 N242 T246V6-R118 HydrophobicContact CG1-CB 3.81Å; V6-R118 HydrophobicContact CG1-CG 3.77Å; V6-N242 HydrophobicContact CG2-CB 4.05Å; V6-T246 HydrophobicContact CG2-CG2 4.33Å
7N97.9Very high97.1Very high44 Ų4463.1 Ų63.124%0.23532%0.319CS..SBendtrans-76.9143.1178.754.5-63.6000111.1R9 E12 G114N7-R9 PolarHBondContact O-N 3.03Å; N7-E12 VanDerWaalsContact CB-OE1 3.25Å; N7-E12 WeakPolarHBondContact CB-OE1 3.29Å; N7-E12 PolarHBondContact ND2-OE2 3.24Å; N7-G114 WeakPolarHBondContact CA-O 3.39Å
8N98.6Very high97.1Very high14 Ų1461 Ų618%0.07531%0.307CS..  trans-83.7113.3173.3-171.9-72.6000110.4I10 I11 E12 F35 D37 G114N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 3.14Å; N8-I10 WeakPolarHBondContact OD1-CB 3.44Å; N8-I10 PolarHBondContact OD1-N 2.99Å; N8-I11 HydrophobicContact CB-CB 4.32Å; N8-I11 HydrophobicContact CB-CD1 3.93Å; N8-I11 HydrophobicContact CB-CG1 4.11Å; N8-I11 PolarHBondContact O-N 3.5Å; N8-I11 PolarHBondContact OD1-N 3.25Å; N8-E12 PolarHBondContact O-N 3.39Å; N8-E12 VanDerWaalsContact O-N 3.1Å; N8-F35 WeakPolarHBondContact OD1-CE2 3.43Å; N8-D37 PolarHBondContact ND2-OD2 3.26Å; N8-G114 PolarHBondContact N-O 3.48Å
9R98.4Very high97.1Very high132 Ų13257.9 Ų57.950%0.49829%0.291SS..Hα-helixtrans-59.6-37.8179.8-71.7-179.7171.9-99.8-3.6113.6E5 N7 I11 E12 E13E5-R9 IonicContact OE1-CZ 3.09Å; E5-R9 IonicContact OE1-NE 2.73Å; E5-R9 IonicContact OE1-NH2 2.65Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å; E5-R9 IonicContact OE2-CZ 3.74Å; E5-R9 IonicContact OE2-NE 2.87Å; E5-R9 PolarHBondContact OE2-NE 2.9Å; E5-R9 IonicContact OE2-NH2 3.99Å; E5-R9 PolarHBondContact OE2-NH2 3.23Å; N7-R9 PolarHBondContact O-N 3.03Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 2.97Å; R9-E12 PolarHBondContact O-N 3.45Å; R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.38Å; R9-E13 VanDerWaalsContact O-CG 3.26Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 2.84Å
10I98.7Very high97.1Very high71 Ų7161.9 Ų61.936%0.36431%0.309SS..Hα-helixtrans-64.9-42.6-178.2-60.3172.6000109.7N8 T14 V33 F35N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 3.14Å; N8-I10 WeakPolarHBondContact OD1-CB 3.44Å; N8-I10 PolarHBondContact OD1-N 2.99Å; I10-T14 WeakPolarHBondContact O-CB 3.47Å; I10-T14 PolarHBondContact O-N 3.35Å; I10-T14 PolarHBondContact O-OG1 2.79Å; I10-V33 HydrophobicContact CG2-CG1 4.45Å; I10-F35 HydrophobicContact CB-CD2 3.89Å; I10-F35 HydrophobicContact CB-CE1 4.47Å; I10-F35 HydrophobicContact CB-CE2 3.8Å; I10-F35 HydrophobicContact CB-CG 4.28Å; I10-F35 HydrophobicContact CB-CZ 4.11Å; I10-F35 HydrophobicContact CD1-CB 3.83Å; I10-F35 HydrophobicContact CD1-CD2 3.7Å; I10-F35 HydrophobicContact CD1-CE2 4.47Å; I10-F35 HydrophobicContact CD1-CG 3.84Å; I10-F35 HydrophobicContact CG1-CD2 4.37Å; I10-F35 HydrophobicContact CG2-CD1 3.69Å; I10-F35 HydrophobicContact CG2-CD2 3.92Å; I10-F35 HydrophobicContact CG2-CE1 3.65Å; I10-F35 HydrophobicContact CG2-CE2 3.89Å; I10-F35 HydrophobicContact CG2-CG 3.82Å; I10-F35 HydrophobicContact CG2-CZ 3.76Å
11I98.8Very high97.1Very high0 Ų061.7 Ų61.70%031%0.309CS..Hα-helixtrans-61.6-52.8174.5-64175.5000110.3N8 R9 T14 L15 F35 Y43 I45 V57 A113N8-I11 HydrophobicContact CB-CB 4.32Å; N8-I11 HydrophobicContact CB-CD1 3.93Å; N8-I11 HydrophobicContact CB-CG1 4.11Å; N8-I11 PolarHBondContact O-N 3.5Å; N8-I11 PolarHBondContact OD1-N 3.25Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 2.97Å; I11-T14 PolarHBondContact O-N 2.86Å; I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 HydrophobicContact CG2-CG 4.33Å; I11-L15 WeakPolarHBondContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 2.75Å; I11-F35 HydrophobicContact CD1-CE2 4.47Å; I11-F35 HydrophobicContact CD1-CZ 4.38Å; I11-F35 HydrophobicContact CG1-CE2 3.88Å; I11-F35 HydrophobicContact CG1-CZ 3.56Å; I11-Y43 HydrophobicContact CD1-CD1 3.91Å; I11-Y43 HydrophobicContact CD1-CE1 3.64Å; I11-Y43 HydrophobicContact CD1-CE2 4.25Å; I11-Y43 HydrophobicContact CD1-CG 4.34Å; I11-I45 HydrophobicContact CG1-CD1 4.39Å; I11-V57 HydrophobicContact CD1-CG1 4.21Å; I11-V57 HydrophobicContact CG1-CG1 4.37Å; I11-V57 HydrophobicContact CG2-CG1 4.45Å; I11-A113 HydrophobicContact CG2-CB 3.83Å
12E98.6Very high97.7Very high37 Ų3756.9 Ų56.917%0.17329%0.29CS..Hα-helixtrans-63.1-47.8-174.3-71.4-173.8161.500112.1N7 N8 R9 T14 L15 A16 V110 H111N7-E12 VanDerWaalsContact CB-OE1 3.25Å; N7-E12 WeakPolarHBondContact CB-OE1 3.29Å; N7-E12 PolarHBondContact ND2-OE2 3.24Å; N8-E12 PolarHBondContact O-N 3.39Å; N8-E12 VanDerWaalsContact O-N 3.1Å; R9-E12 PolarHBondContact O-N 3.45Å; E12-T14 PolarHBondContact O-N 3.42Å; E12-L15 PolarHBondContact O-N 3.22Å; E12-A16 WeakPolarHBondContact O-CB 3.44Å; E12-A16 PolarHBondContact O-N 3.11Å; E12-V110 HydrophobicContact CB-CG1 3.86Å; E12-V110 HydrophobicContact CG-CG1 3.99Å; E12-V110 WeakPolarHBondContact O-CG1 3.14Å; E12-H111 IonicContact OE1-CG 2.69Å; E12-H111 IonicContact OE1-ND1 3.02Å; E12-H111 PolarHBondContact OE1-ND1 2.88Å; E12-H111 VanDerWaalsContact OE1-ND1 3.09Å
13E98.6Very high97.7Very high122 Ų12254.3 Ų54.357%0.5729%0.287SS*.Hα-helixtrans-65.3-40.4179.8-68.5174.6-164.400111.5R9 L17R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.38Å; R9-E13 VanDerWaalsContact O-CG 3.26Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 2.84Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 3.03Å
14T98.6Very high97.7Very high24 Ų2452.5 Ų52.515%0.14729%0.287CS..Hα-helixtrans-65.1-48177.9-58.80000111.2I10 I11 E12 K18 V31 I45I10-T14 WeakPolarHBondContact O-CB 3.47Å; I10-T14 PolarHBondContact O-N 3.35Å; I10-T14 PolarHBondContact O-OG1 2.79Å; I11-T14 PolarHBondContact O-N 2.86Å; E12-T14 PolarHBondContact O-N 3.42Å; T14-K18 VanDerWaalsContact O-CG 3.24Å; T14-K18 WeakPolarHBondContact O-CG 3.2Å; T14-K18 PolarHBondContact O-N 2.94Å; T14-K18 VanDerWaalsContact O-N 3.1Å; T14-V31 HydrophobicContact CG2-CG2 3.98Å; T14-I45 HydrophobicContact CG2-CD1 4.01Å; T14-I45 HydrophobicContact CG2-CG2 4.13Å
15L98.4Very high97.6Very high0 Ų055 Ų550%032%0.316CS..Hα-helixtrans-69-42.2-179.7-69.6-179.8000112I11 E12 L17 K18 F19 V55 V57 Y97 V110 A113I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 HydrophobicContact CG2-CG 4.33Å; I11-L15 WeakPolarHBondContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 2.75Å; E12-L15 PolarHBondContact O-N 3.22Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.3Å; L15-K18 PolarHBondContact O-N 3.21Å; L15-F19 HydrophobicContact CB-CE2 4.14Å; L15-F19 HydrophobicContact CB-CZ 4.16Å; L15-F19 HydrophobicContact CD2-CE1 4.19Å; L15-F19 HydrophobicContact CD2-CZ 4.03Å; L15-F19 HydrophobicContact CG-CZ 4.47Å; L15-F19 WeakPolarHBondContact O-CB 3.27Å; L15-F19 WeakPolarHBondContact O-CD1 3.46Å; L15-F19 WeakPolarHBondContact O-CG 3.36Å; L15-F19 PolarHBondContact O-N 3.32Å; L15-V55 HydrophobicContact CD2-CG1 3.87Å; L15-V57 HydrophobicContact CD1-CG2 4.27Å; L15-V57 HydrophobicContact CD2-CG2 4Å; L15-V57 HydrophobicContact CG-CG2 4.44Å; L15-Y97 HydrophobicContact CD1-CD2 4.49Å; L15-Y97 HydrophobicContact CD1-CE2 4.06Å; L15-Y97 HydrophobicContact CD2-CD2 4.15Å; L15-Y97 HydrophobicContact CD2-CE2 4.49Å; L15-V110 HydrophobicContact CB-CG2 4.13Å; L15-A113 HydrophobicContact CD1-CB 3.36Å
16A98.1Very high97.6Very high44 Ų4455 Ų5536%0.36432%0.319SS..Hα-helixtrans-56-48.9176.200000110.9E12 K18 F19 E20 V110E12-A16 WeakPolarHBondContact O-CB 3.44Å; E12-A16 PolarHBondContact O-N 3.11Å; A16-K18 VanDerWaalsContact C-N 3.34Å; A16-K18 PolarHBondContact O-N 2.83Å; A16-F19 PolarHBondContact O-N 3.43Å; A16-E20 VanDerWaalsContact O-CB 3.32Å; A16-E20 WeakPolarHBondContact O-CB 3.43Å; A16-E20 PolarHBondContact O-N 2.88Å; A16-V110 HydrophobicContact CB-CG1 4.47Å
17L98Very high97.4Very high93 Ų9361 Ų6149%0.48734%0.342SS..Hα-helixtrans-60.7-41.5178179.663000112.3E13 L15 N21E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 3.03Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.3Å; L17-N21 WeakPolarHBondContact CD1-ND2 3.49Å; L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 2.84Å; L17-N21 VanDerWaalsContact O-N 3.15Å; L17-N21 PolarHBondContact O-ND2 2.83Å
18K97.9Very high97.4Very high25 Ų2561 Ų6111%0.10935%0.345CS..Hα-helixtrans-69.9-39.9179.6-66.3-69.7164.4-179.10111.7T14 L15 A16 A22 E29 A30 L99T14-K18 VanDerWaalsContact O-CG 3.24Å; T14-K18 WeakPolarHBondContact O-CG 3.2Å; T14-K18 PolarHBondContact O-N 2.94Å; T14-K18 VanDerWaalsContact O-N 3.1Å; L15-K18 PolarHBondContact O-N 3.21Å; A16-K18 VanDerWaalsContact C-N 3.34Å; A16-K18 PolarHBondContact O-N 2.83Å; K18-A22 WeakPolarHBondContact O-CB 3.22Å; K18-A22 PolarHBondContact O-N 2.95Å; K18-E29 PolarHBondContact NZ-O 3.01Å; K18-A30 PolarHBondContact NZ-O 3.16Å; K18-L99 HydrophobicContact CB-CD2 4.3Å
19F97.8Very high97.3Very high2 Ų266 Ų661%0.00937%0.367CS..Hα-helixtrans-73.3-32.2180-64.6-7.4000113.2L15 A16 A23 Y97 L99 L102 K106 I109 V110L15-F19 HydrophobicContact CB-CE2 4.14Å; L15-F19 HydrophobicContact CB-CZ 4.16Å; L15-F19 HydrophobicContact CD2-CE1 4.19Å; L15-F19 HydrophobicContact CD2-CZ 4.03Å; L15-F19 HydrophobicContact CG-CZ 4.47Å; L15-F19 WeakPolarHBondContact O-CB 3.27Å; L15-F19 WeakPolarHBondContact O-CD1 3.46Å; L15-F19 WeakPolarHBondContact O-CG 3.36Å; L15-F19 PolarHBondContact O-N 3.32Å; A16-F19 PolarHBondContact O-N 3.43Å; F19-A23 WeakPolarHBondContact O-CB 3.22Å; F19-A23 PolarHBondContact O-N 3.03Å; F19-Y97 HydrophobicContact CE1-CD1 4.49Å; F19-Y97 HydrophobicContact CE1-CG 4.23Å; F19-Y97 AromaticContact CZ-CD1 3.71Å; F19-Y97 HydrophobicContact CZ-CD1 3.71Å; F19-Y97 HydrophobicContact CZ-CD2 4.42Å; F19-Y97 HydrophobicContact CZ-CE1 4.33Å; F19-Y97 AromaticContact CZ-CG 3.76Å; F19-Y97 HydrophobicContact CZ-CG 3.76Å; F19-L99 HydrophobicContact CD1-CD2 3.66Å; F19-L99 HydrophobicContact CE1-CD2 3.92Å; F19-L102 HydrophobicContact CB-CD1 3.91Å; F19-L102 HydrophobicContact CD1-CD1 3.66Å; F19-L102 HydrophobicContact CD1-CD2 3.85Å; F19-L102 HydrophobicContact CD1-CG 4.44Å; F19-L102 HydrophobicContact CE1-CD1 4.39Å; F19-L102 HydrophobicContact CE1-CD2 3.73Å; F19-L102 HydrophobicContact CG-CD1 3.85Å; F19-L102 HydrophobicContact CG-CD2 4.33Å; F19-L102 HydrophobicContact CZ-CD2 4.1Å; F19-K106 HydrophobicContact CB-CD 4.18Å; F19-K106 HydrophobicContact CD2-CB 4.41Å; F19-K106 PolarHBondContact O-NZ 3.1Å; F19-I109 HydrophobicContact CD2-CD1 4.09Å; F19-I109 HydrophobicContact CD2-CG1 4.48Å; F19-I109 HydrophobicContact CE2-CD1 3.44Å; F19-I109 VanDerWaalsContact CE2-CD1 3.44Å; F19-I109 HydrophobicContact CE2-CG1 3.88Å; F19-I109 HydrophobicContact CZ-CD1 4Å; F19-V110 HydrophobicContact CD2-CG2 3.49Å; F19-V110 VanDerWaalsContact CD2-CG2 3.49Å; F19-V110 HydrophobicContact CE2-CG2 3.56Å
20E96.8Very high97.2Very high137 Ų13762.5 Ų62.564%0.6437%0.367SS*.Hα-helixtrans-66.6-49172.7-174.9-178.917800110.7A16 A22 A23 A24A16-E20 VanDerWaalsContact O-CB 3.32Å; A16-E20 WeakPolarHBondContact O-CB 3.43Å; A16-E20 PolarHBondContact O-N 2.88Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 3.45Å; E20-A23 WeakPolarHBondContact O-CA 3.48Å; E20-A23 WeakPolarHBondContact O-CB 3.42Å; E20-A23 PolarHBondContact O-N 2.84Å; E20-A23 VanDerWaalsContact O-N 3.09Å; E20-A24 PolarHBondContact O-N 3.37Å
21N96.8Very high97.2Very high59 Ų5959.8 Ų59.832%0.31635%0.354SS..Hα-helixtrans-60.8-42.4176.8-80.7-56.9000112.5L17 A23 A24 G25 N26L17-N21 WeakPolarHBondContact CD1-ND2 3.49Å; L17-N21 WeakPolarHBondContact O-CB 3.44Å; L17-N21 PolarHBondContact O-N 2.84Å; L17-N21 VanDerWaalsContact O-N 3.15Å; L17-N21 PolarHBondContact O-ND2 2.83Å; N21-A23 VanDerWaalsContact C-N 3.31Å; N21-A23 PolarHBondContact O-N 3.09Å; N21-A24 PolarHBondContact O-N 2.75Å; N21-G25 PolarHBondContact O-N 2.63Å; N21-N26 HydrophobicContact CB-CB 4.29Å; N21-N26 WeakPolarHBondContact O-CB 3.46Å; N21-N26 PolarHBondContact O-N 2.8Å; N21-N26 PolarHBondContact OD1-ND2 3.11Å
22A96.1Very high97.2Very high31 Ų3166.1 Ų66.126%0.25638%0.383SS..Hα-helixtrans-62.3-39.1174.200000111.8K18 E20 A24 G25 L99 L102K18-A22 WeakPolarHBondContact O-CB 3.22Å; K18-A22 PolarHBondContact O-N 2.95Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 3.45Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.89Å; A22-G25 PolarHBondContact O-N 2.81Å; A22-G25 VanDerWaalsContact O-N 3.14Å; A22-L99 HydrophobicContact CB-CB 3.96Å; A22-L99 HydrophobicContact CB-CD2 4.23Å; A22-L102 HydrophobicContact CB-CD1 4.14Å
23A94.9Very high97.2Very high65 Ų6566.7 Ų66.754%0.53739%0.389SS..Hα-helixtrans-58.8-40.6175.300000112.8F19 E20 N21 G25F19-A23 WeakPolarHBondContact O-CB 3.22Å; F19-A23 PolarHBondContact O-N 3.03Å; E20-A23 WeakPolarHBondContact O-CA 3.48Å; E20-A23 WeakPolarHBondContact O-CB 3.42Å; E20-A23 PolarHBondContact O-N 2.84Å; E20-A23 VanDerWaalsContact O-N 3.09Å; N21-A23 VanDerWaalsContact C-N 3.31Å; N21-A23 PolarHBondContact O-N 3.09Å; A23-G25 PolarHBondContact O-N 2.82Å
24A95.9Very high97.2Very high67 Ų6765 Ų6555%0.55439%0.387SS*.THydrogen-bonded Turntrans-75.4-4.2-17800000112.9E20 N21 A22 N26E20-A24 PolarHBondContact O-N 3.37Å; N21-A24 PolarHBondContact O-N 2.75Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.89Å; A24-N26 PolarHBondContact O-N 2.79Å
25G95.2Very high97.2Very high68 Ų6864.8 Ų64.870%0.70138%0.384SS*.THydrogen-bonded Turntrans70.119.6-173.300000113N21 A22 A23N21-G25 PolarHBondContact O-N 2.63Å; A22-G25 PolarHBondContact O-N 2.81Å; A22-G25 VanDerWaalsContact O-N 3.14Å; A23-G25 PolarHBondContact O-N 2.82Å
26N96.8Very high97.2Very high81 Ų8167.8 Ų67.843%0.43341%0.409SS..PPolyproline II helixtrans-70153.8176.4-66.5-19.3000110.1N21 A24N21-N26 HydrophobicContact CB-CB 4.29Å; N21-N26 WeakPolarHBondContact O-CB 3.46Å; N21-N26 PolarHBondContact O-N 2.8Å; N21-N26 PolarHBondContact OD1-ND2 3.11Å; A24-N26 PolarHBondContact O-N 2.79Å
27K95.6Very high97.2Very high164 Ų16467.6 Ų67.671%0.71340%0.402SS*.PPolyproline II helixtrans-60.2131.2176.6-171.5178180-179.80110.2E29K27-E29 PolarHBondContact O-N 2.87Å
28P96.4Very high97.2Very high46 Ų4668.2 Ų68.230%0.29940%0.401SS..PPolyproline II helixtrans-62.5120.6176.9-23.733.5000111.8K52 T53 L99P28-K52 HydrophobicContact CB-CB 3.93Å; P28-K52 VanDerWaalsContact CB-O 3.31Å; P28-K52 WeakPolarHBondContact CB-O 3.37Å; P28-K52 WeakPolarHBondContact O-CD 3.3Å; P28-T53 HydrophobicContact CG-CG2 4.24Å; P28-L99 HydrophobicContact CB-CD1 4.44Å
29E96.3Very high97.2Very high117 Ų11767.5 Ų67.555%0.54740%0.398SS..PPolyproline II helixtrans-92.8141177.4-73.2-58.4149.100111K18 K27K18-E29 PolarHBondContact NZ-O 3.01Å; K27-E29 PolarHBondContact O-N 2.87Å
30A97.6Very high97.1Very high59 Ų5969.9 Ų69.949%0.48842%0.423SS..PPolyproline II helixtrans-58.9151.5178.200000111.4K18 N47 K52K18-A30 PolarHBondContact NZ-O 3.16Å; A30-N47 WeakPolarHBondContact CA-OD1 3.47Å; A30-K52 HydrophobicContact CB-CD 4.43Å
31V98.1Very high97.2Very high14 Ų1463.4 Ų63.49%0.08539%0.393CS..  trans-140.813417562.80000109T14 V33 I45 S46 N47 V55T14-V31 HydrophobicContact CG2-CG2 3.98Å; V31-V33 HydrophobicContact CG2-CG2 3.81Å; V31-I45 HydrophobicContact CG1-CG2 4.22Å; V31-I45 HydrophobicContact CG2-CG2 3.88Å; V31-S46 WeakPolarHBondContact O-CA 3.47Å; V31-N47 PolarHBondContact N-OD1 3.13Å; V31-N47 PolarHBondContact O-N 2.77Å; V31-N47 PolarHBondContact O-OD1 3.13Å; V31-V55 HydrophobicContact CG1-CG1 4.22Å; V31-V55 HydrophobicContact CG1-CG2 4.33Å
32E98.2Very high97.3Very high134 Ų13464 Ų6463%0.62640%0.396SS*.EExtended strand (participates in β ladder)trans-152.3105.2176.7-178.372.2-17500106.3H44 I45 S46E32-H44 IonicContact OE1-CE1 3.45Å; E32-H44 IonicContact OE1-NE2 2.92Å; E32-H44 PolarHBondContact OE1-NE2 2.84Å; E32-H44 IonicContact OE2-NE2 3.08Å; E32-I45 CarbonylContact C-O 3.4Å; E32-I45 VanDerWaalsContact CA-O 3.29Å; E32-I45 WeakPolarHBondContact CA-O 3.48Å; E32-S46 VanDerWaalsContact OE2-CB 3.27Å; E32-S46 WeakPolarHBondContact OE2-CB 3.38Å
33V98.4Very high97.4Very high48 Ų4862.5 Ų62.529%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-140.5118.7-175.4-165.30000109.3I10 V31 F35 H44 I45I10-V33 HydrophobicContact CG2-CG1 4.45Å; V31-V33 HydrophobicContact CG2-CG2 3.81Å; V33-F35 HydrophobicContact CB-CD1 4.35Å; V33-F35 HydrophobicContact CG1-CD1 3.76Å; V33-F35 HydrophobicContact CG1-CE1 4.29Å; V33-H44 CarbonylContact O-C 3.55Å; V33-H44 WeakPolarHBondContact O-CA 3.27Å; V33-I45 HydrophobicContact CB-CB 4.41Å; V33-I45 PolarHBondContact N-O 3.02Å; V33-I45 PolarHBondContact O-N 3.32Å
34T98.6Very high97.6Very high87 Ų8760.1 Ų60.153%0.53436%0.361SS..EExtended strand (participates in β ladder)trans-107.2128.6169.7-49.60000109.2L42 Y43T34-L42 HydrophobicContact CG2-CD1 3.92Å; T34-L42 HydrophobicContact CG2-CG 4.42Å; T34-Y43 WeakPolarHBondContact CA-O 3.49Å
35F98.8Very high97.7Very high20 Ų2056.9 Ų56.99%0.08834%0.335CS..EExtended strand (participates in β ladder)trans-152.5171-179.258.1-80.6000110.5N8 I10 I11 V33 Y43 I45N8-F35 WeakPolarHBondContact OD1-CE2 3.43Å; I10-F35 HydrophobicContact CB-CD2 3.89Å; I10-F35 HydrophobicContact CB-CE1 4.47Å; I10-F35 HydrophobicContact CB-CE2 3.8Å; I10-F35 HydrophobicContact CB-CG 4.28Å; I10-F35 HydrophobicContact CB-CZ 4.11Å; I10-F35 HydrophobicContact CD1-CB 3.83Å; I10-F35 HydrophobicContact CD1-CD2 3.7Å; I10-F35 HydrophobicContact CD1-CE2 4.47Å; I10-F35 HydrophobicContact CD1-CG 3.84Å; I10-F35 HydrophobicContact CG1-CD2 4.37Å; I10-F35 HydrophobicContact CG2-CD1 3.69Å; I10-F35 HydrophobicContact CG2-CD2 3.92Å; I10-F35 HydrophobicContact CG2-CE1 3.65Å; I10-F35 HydrophobicContact CG2-CE2 3.89Å; I10-F35 HydrophobicContact CG2-CG 3.82Å; I10-F35 HydrophobicContact CG2-CZ 3.76Å; I11-F35 HydrophobicContact CD1-CE2 4.47Å; I11-F35 HydrophobicContact CD1-CZ 4.38Å; I11-F35 HydrophobicContact CG1-CE2 3.88Å; I11-F35 HydrophobicContact CG1-CZ 3.56Å; V33-F35 HydrophobicContact CB-CD1 4.35Å; V33-F35 HydrophobicContact CG1-CD1 3.76Å; V33-F35 HydrophobicContact CG1-CE1 4.29Å; F35-Y43 AromaticContact CD2-CD2 3.86Å; F35-Y43 HydrophobicContact CD2-CD2 3.86Å; F35-Y43 HydrophobicContact CD2-CG 4.26Å; F35-Y43 VanDerWaalsContact CE2-CB 3.43Å; F35-Y43 AromaticContact CE2-CD2 3.44Å; F35-Y43 HydrophobicContact CE2-CD2 3.44Å; F35-Y43 VanDerWaalsContact CE2-CD2 3.44Å; F35-Y43 HydrophobicContact CE2-CE2 4.3Å; F35-Y43 AromaticContact CE2-CG 3.65Å; F35-Y43 HydrophobicContact CE2-CG 3.65Å; F35-Y43 VanDerWaalsContact CZ-CB 3.41Å; F35-Y43 HydrophobicContact CZ-CD2 4.21Å; F35-Y43 AromaticContact CZ-CG 3.94Å; F35-Y43 HydrophobicContact CZ-CG 3.94Å; F35-Y43 PolarHBondContact N-O 3.07Å; F35-Y43 VanDerWaalsContact N-O 3.12Å; F35-Y43 PolarHBondContact O-N 3.44Å; F35-I45 HydrophobicContact CE1-CD1 3.66Å; F35-I45 HydrophobicContact CE1-CG1 3.78Å; F35-I45 HydrophobicContact CZ-CD1 3.81Å; F35-I45 HydrophobicContact CZ-CG1 4.15Å
36A98.3Very high97.9Very high63 Ų6354.1 Ų54.152%0.52131%0.305SS..EExtended strand (participates in β ladder)trans-119.3169.8-175.200000112V41A36-V41 VanDerWaalsContact CA-O 3.3Å; A36-V41 WeakPolarHBondContact CA-O 3.36Å; A36-V41 WeakPolarHBondContact CB-O 3.47Å
37D98.5Very high98Very high40 Ų4051.2 Ų51.221%0.21429%0.289CS..  trans-130.5179.7166.2-144.8-66.4000109.6N8 V41 Y43 K117N8-D37 PolarHBondContact ND2-OD2 3.26Å; D37-V41 HydrophobicContact CB-CB 3.88Å; D37-V41 HydrophobicContact CB-CG1 4.06Å; D37-V41 PolarHBondContact N-O 3.14Å; D37-Y43 HydrophobicContact CB-CD2 4.33Å; D37-Y43 HydrophobicContact CB-CE2 3.73Å; D37-K117 HydrophobicContact CB-CD 4.38Å; D37-K117 IonicContact OD1-NZ 2.76Å
38F97.9Very high98Very high105 Ų10544.4 Ų44.446%0.46126%0.262SS..G310 helixtrans-59.7165.1170.9-57.1-73.4000111.7G40 V41 K117 D249F38-G40 PolarHBondContact O-N 3.09Å; F38-V41 WeakPolarHBondContact O-CG2 3.38Å; F38-V41 PolarHBondContact O-N 3.01Å; F38-K117 VanDerWaalsContact C-NZ 3.32Å; F38-K117 PolarHBondContact O-NZ 3.36Å; F38-D249 WeakPolarHBondContact CB-OD2 3.18Å; F38-D249 HydrophobicContact CD1-CB 4.36Å; F38-D249 HydrophobicContact CG-CB 4.24Å
39D97.4Very high98Very high10 Ų1050.5 Ų50.55%0.05329%0.292CS..G310 helixtrans6420.7-179.3-51.5-43.6000115.8V41 K117 R147D39-V41 PolarHBondContact O-N 3.47Å; D39-K117 WeakPolarHBondContact OD2-CE 3.38Å; D39-K117 IonicContact OD2-NZ 3.76Å; D39-K117 PolarHBondContact OD2-NZ 3.43Å; D39-R147 HydrophobicContact CB-CG 4.36Å; D39-R147 IonicContact OD1-NH1 3.09Å
40G96.4Very high98Very high52 Ų5247.8 Ų47.854%0.53630%0.295SS..G310 helixtrans71.223.4177.300000113.1F38F38-G40 PolarHBondContact O-N 3.09Å
41V98.3Very high98Very high2 Ų247.7 Ų47.71%0.01229%0.286CS..  trans-72.7137.3172.6172.50000109.6A36 D37 F38 D39 Y43 I59 L61 K117A36-V41 VanDerWaalsContact CA-O 3.3Å; A36-V41 WeakPolarHBondContact CA-O 3.36Å; A36-V41 WeakPolarHBondContact CB-O 3.47Å; D37-V41 HydrophobicContact CB-CB 3.88Å; D37-V41 HydrophobicContact CB-CG1 4.06Å; D37-V41 PolarHBondContact N-O 3.14Å; F38-V41 WeakPolarHBondContact O-CG2 3.38Å; F38-V41 PolarHBondContact O-N 3.01Å; D39-V41 PolarHBondContact O-N 3.47Å; V41-Y43 HydrophobicContact CG1-CD2 4.19Å; V41-Y43 HydrophobicContact CG1-CE1 4.46Å; V41-Y43 HydrophobicContact CG1-CE2 3.84Å; V41-I59 HydrophobicContact CG1-CD1 3.62Å; V41-I59 HydrophobicContact CG1-CG1 3.58Å; V41-L61 HydrophobicContact CG2-CD2 3.93Å; V41-L61 HydrophobicContact CG2-CG 4.1Å; V41-K117 HydrophobicContact CG2-CD 4.02Å; V41-K117 HydrophobicContact CG2-CG 4.34Å
42L98.7Very high98Very high70 Ų7051.5 Ų51.537%0.36630%0.302SS..EExtended strand (participates in β ladder)trans-118.1135174.4-172.873.4000109.7T34 I59 S60T34-L42 HydrophobicContact CG2-CD1 3.92Å; T34-L42 HydrophobicContact CG2-CG 4.42Å; L42-I59 CarbonylContact O-C 3.55Å; L42-I59 WeakPolarHBondContact O-CA 3.29Å; L42-S60 PolarHBondContact N-O 3.05Å; L42-S60 PolarHBondContact O-N 2.66Å
43Y98.9Very high97.9Very high1 Ų146.3 Ų46.30%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-116153174.9-70-73.3000111.5I11 T34 F35 D37 V41 S58 I59 L116 K117I11-Y43 HydrophobicContact CD1-CD1 3.91Å; I11-Y43 HydrophobicContact CD1-CE1 3.64Å; I11-Y43 HydrophobicContact CD1-CE2 4.25Å; I11-Y43 HydrophobicContact CD1-CG 4.34Å; T34-Y43 WeakPolarHBondContact CA-O 3.49Å; F35-Y43 AromaticContact CD2-CD2 3.86Å; F35-Y43 HydrophobicContact CD2-CD2 3.86Å; F35-Y43 HydrophobicContact CD2-CG 4.26Å; F35-Y43 VanDerWaalsContact CE2-CB 3.43Å; F35-Y43 AromaticContact CE2-CD2 3.44Å; F35-Y43 HydrophobicContact CE2-CD2 3.44Å; F35-Y43 VanDerWaalsContact CE2-CD2 3.44Å; F35-Y43 HydrophobicContact CE2-CE2 4.3Å; F35-Y43 AromaticContact CE2-CG 3.65Å; F35-Y43 HydrophobicContact CE2-CG 3.65Å; F35-Y43 VanDerWaalsContact CZ-CB 3.41Å; F35-Y43 HydrophobicContact CZ-CD2 4.21Å; F35-Y43 AromaticContact CZ-CG 3.94Å; F35-Y43 HydrophobicContact CZ-CG 3.94Å; F35-Y43 PolarHBondContact N-O 3.07Å; F35-Y43 VanDerWaalsContact N-O 3.12Å; F35-Y43 PolarHBondContact O-N 3.44Å; D37-Y43 HydrophobicContact CB-CD2 4.33Å; D37-Y43 HydrophobicContact CB-CE2 3.73Å; V41-Y43 HydrophobicContact CG1-CD2 4.19Å; V41-Y43 HydrophobicContact CG1-CE1 4.46Å; V41-Y43 HydrophobicContact CG1-CE2 3.84Å; Y43-S58 CarbonylContact C-O 3.56Å; Y43-S58 VanDerWaalsContact CA-O 3.29Å; Y43-S58 WeakPolarHBondContact CA-O 3.24Å; Y43-I59 HydrophobicContact CD1-CB 3.77Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 3.8Å; Y43-I59 HydrophobicContact CE1-CB 3.64Å; Y43-I59 HydrophobicContact CE1-CD1 3.43Å; Y43-I59 VanDerWaalsContact CE1-CD1 3.43Å; Y43-I59 HydrophobicContact CE1-CG1 3.44Å; Y43-I59 VanDerWaalsContact CE1-CG1 3.44Å; Y43-L116 HydrophobicContact CE1-CB 4.39Å; Y43-L116 HydrophobicContact CE1-CD2 4.49Å; Y43-K117 WeakPolarHBondContact OH-CB 3.29Å; Y43-K117 PolarHBondContact OH-N 3.49Å
44H98.8Very high97.9Very high14 Ų1447.5 Ų47.57%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-140.5126.9172.9-176.1-140.5000110.6E32 V33 S46 V57 S58 E88 Y91E32-H44 IonicContact OE1-CE1 3.45Å; E32-H44 IonicContact OE1-NE2 2.92Å; E32-H44 PolarHBondContact OE1-NE2 2.84Å; E32-H44 IonicContact OE2-NE2 3.08Å; V33-H44 CarbonylContact O-C 3.55Å; V33-H44 WeakPolarHBondContact O-CA 3.27Å; H44-S46 VanDerWaalsContact CE1-CB 3.47Å; H44-S46 WeakPolarHBondContact CE1-CB 3.39Å; H44-V57 WeakPolarHBondContact O-CA 3.24Å; H44-S58 PolarHBondContact N-O 3.37Å; H44-S58 PolarHBondContact O-N 2.87Å; H44-E88 IonicContact CE1-OE1 3.37Å; H44-E88 PolarHBondContact CE1-OE1 3.39Å; H44-E88 VanDerWaalsContact CE1-OE1 3.24Å; H44-E88 IonicContact CG-OE2 2.84Å; H44-E88 IonicContact ND1-OE1 3.28Å; H44-E88 PolarHBondContact ND1-OE1 3.32Å; H44-E88 IonicContact ND1-OE2 3.24Å; H44-E88 PolarHBondContact ND1-OE2 3.41Å; H44-E88 VanDerWaalsContact ND1-OE2 3.09Å; H44-Y91 HydrophobicContact CB-CE1 3.61Å; H44-Y91 HydrophobicContact CB-CE2 4.07Å; H44-Y91 WeakPolarHBondContact CB-OH 3.2Å
45I98.8Very high97.9Very high0 Ų043.4 Ų43.40%026%0.255CS..EExtended strand (participates in β ladder)trans-115.7120.4172.4-59.8175.9000108.2I11 T14 V31 E32 V33 F35 V55 M56 V57I11-I45 HydrophobicContact CG1-CD1 4.39Å; T14-I45 HydrophobicContact CG2-CD1 4.01Å; T14-I45 HydrophobicContact CG2-CG2 4.13Å; V31-I45 HydrophobicContact CG1-CG2 4.22Å; V31-I45 HydrophobicContact CG2-CG2 3.88Å; E32-I45 CarbonylContact C-O 3.4Å; E32-I45 VanDerWaalsContact CA-O 3.29Å; E32-I45 WeakPolarHBondContact CA-O 3.48Å; V33-I45 HydrophobicContact CB-CB 4.41Å; V33-I45 PolarHBondContact N-O 3.02Å; V33-I45 PolarHBondContact O-N 3.32Å; F35-I45 HydrophobicContact CE1-CD1 3.66Å; F35-I45 HydrophobicContact CE1-CG1 3.78Å; F35-I45 HydrophobicContact CZ-CD1 3.81Å; F35-I45 HydrophobicContact CZ-CG1 4.15Å; I45-V55 HydrophobicContact CG2-CG1 3.75Å; I45-M56 VanDerWaalsContact CA-O 3.24Å; I45-M56 WeakPolarHBondContact CA-O 3.35Å; I45-V57 HydrophobicContact CD1-CG2 4.45Å; I45-V57 HydrophobicContact CG1-CB 4.43Å; I45-V57 HydrophobicContact CG1-CG1 4.11Å; I45-V57 HydrophobicContact CG1-CG2 4.08Å
46S98.6Very high97.9Very high9 Ų943.5 Ų43.56%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-147.3168.1-17464.60000112.8V31 E32 H44 M56V31-S46 WeakPolarHBondContact O-CA 3.47Å; E32-S46 VanDerWaalsContact OE2-CB 3.27Å; E32-S46 WeakPolarHBondContact OE2-CB 3.38Å; H44-S46 VanDerWaalsContact CE1-CB 3.47Å; H44-S46 WeakPolarHBondContact CE1-CB 3.39Å; S46-M56 PolarHBondContact N-O 3.17Å; S46-M56 PolarHBondContact O-N 3.09Å
47N98.6Very high97.9Very high21 Ų2140.5 Ų40.511%0.11223%0.232CC..  trans-95.5107.3167.7-64.6124.6000110A30 V31 N49 G50 D51 K54A30-N47 WeakPolarHBondContact CA-OD1 3.47Å; V31-N47 PolarHBondContact N-OD1 3.13Å; V31-N47 PolarHBondContact O-N 2.77Å; V31-N47 PolarHBondContact O-OD1 3.13Å; N47-N49 PolarHBondContact O-N 3.03Å; N47-G50 PolarHBondContact O-N 3.05Å; N47-G50 VanDerWaalsContact O-N 3.14Å; N47-D51 WeakPolarHBondContact CB-O 3.29Å; N47-K54 PolarHBondContact ND2-O 2.93Å
48P97.3Very high98Very high20 Ų2038.6 Ų38.613%0.1322%0.221CC..G310 helixtrans-62.5135.6-177.727.3-34.1000110.5G50 D51 K54 M56 L96P48-G50 PolarHBondContact O-N 2.77Å; P48-D51 WeakPolarHBondContact O-CB 3.5Å; P48-D51 PolarHBondContact O-N 2.63Å; P48-K54 WeakPolarHBondContact CD-O 3.39Å; P48-K54 HydrophobicContact CG-CB 3.9Å; P48-M56 HydrophobicContact CB-CE 3.92Å; P48-M56 HydrophobicContact CG-CB 4.36Å; P48-M56 HydrophobicContact CG-CE 4.18Å; P48-L96 HydrophobicContact CG-CD1 3.85Å
49N95.9Very high98Very high175 Ų17533.6 Ų33.694%0.93620%0.199SC*.G310 helixtrans57.816.8-178.7-49.595.8000114.6N47 D51N47-N49 PolarHBondContact O-N 3.03Å; N49-D51 VanDerWaalsContact C-N 3.26Å; N49-D51 PolarHBondContact O-N 2.69Å
50G95.5Very high98.1Very high59 Ų5934.7 Ų34.761%0.60821%0.208SC*.G310 helixtrans76.78.8-174.500000114.4N47 P48 K52N47-G50 PolarHBondContact O-N 3.05Å; N47-G50 VanDerWaalsContact O-N 3.14Å; P48-G50 PolarHBondContact O-N 2.77Å; G50-K52 PolarHBondContact O-N 2.78Å
51D97.6Very high98.1Very high58 Ų5832.3 Ų32.331%0.3118%0.183SC..  trans-78102.4179.4-171.52.4000111.2N47 P48 N49 T53 K54N47-D51 WeakPolarHBondContact CB-O 3.29Å; P48-D51 WeakPolarHBondContact O-CB 3.5Å; P48-D51 PolarHBondContact O-N 2.63Å; N49-D51 VanDerWaalsContact C-N 3.26Å; N49-D51 PolarHBondContact O-N 2.69Å; D51-T53 PolarHBondContact O-N 3.43Å; D51-T53 PolarHBondContact OD1-N 3.38Å; D51-T53 PolarHBondContact OD1-OG1 3.47Å; D51-K54 PolarHBondContact O-N 2.86Å; D51-K54 VanDerWaalsContact O-N 3.11Å; D51-K54 WeakPolarHBondContact OD2-CD 3.48Å; D51-K54 VanDerWaalsContact OD2-CE 3.29Å; D51-K54 WeakPolarHBondContact OD2-CE 3.46Å; D51-K54 IonicContact OD2-NZ 2.86Å; D51-K54 PolarHBondContact OD2-NZ 3.48Å
52K97.7Very high98.1Very high94 Ų9439.2 Ų39.241%0.40921%0.213SC..THydrogen-bonded Turntrans-68.9-16-173.8-59.9-177.3-173.6-176.10113.7P28 A30 G50P28-K52 HydrophobicContact CB-CB 3.93Å; P28-K52 VanDerWaalsContact CB-O 3.31Å; P28-K52 WeakPolarHBondContact CB-O 3.37Å; P28-K52 WeakPolarHBondContact O-CD 3.3Å; A30-K52 HydrophobicContact CB-CD 4.43Å; G50-K52 PolarHBondContact O-N 2.78Å
53T97.6Very high98.1Very high25 Ų2536.3 Ų36.315%0.15320%0.197CC..THydrogen-bonded Turntrans-78.8-11.617667.40000111.8P28 D51 L99 E100P28-T53 HydrophobicContact CG-CG2 4.24Å; D51-T53 PolarHBondContact O-N 3.43Å; D51-T53 PolarHBondContact OD1-N 3.38Å; D51-T53 PolarHBondContact OD1-OG1 3.47Å; T53-L99 WeakPolarHBondContact O-CB 3.28Å; T53-L99 VanDerWaalsContact O-CG 3.22Å; T53-L99 WeakPolarHBondContact O-CG 3.49Å; T53-L99 PolarHBondContact O-N 3.12Å; T53-E100 HydrophobicContact CG2-CG 4.3Å
54K98.3Very high98.1Very high73 Ų7336.7 Ų36.732%0.31720%0.198SC..EExtended strand (participates in β ladder)trans-114.2131.4-179.1-67.6179.6-172.6164.40110.8N47 P48 D51 L96 Y97N47-K54 PolarHBondContact ND2-O 2.93Å; P48-K54 WeakPolarHBondContact CD-O 3.39Å; P48-K54 HydrophobicContact CG-CB 3.9Å; D51-K54 PolarHBondContact O-N 2.86Å; D51-K54 VanDerWaalsContact O-N 3.11Å; D51-K54 WeakPolarHBondContact OD2-CD 3.48Å; D51-K54 VanDerWaalsContact OD2-CE 3.29Å; D51-K54 WeakPolarHBondContact OD2-CE 3.46Å; D51-K54 IonicContact OD2-NZ 2.86Å; D51-K54 PolarHBondContact OD2-NZ 3.48Å; K54-L96 HydrophobicContact CB-CD1 4.04Å; K54-Y97 WeakPolarHBondContact CA-O 3.29Å
55V98.6Very high98Very high0 Ų042.6 Ų42.60%022%0.224CC..EExtended strand (participates in β ladder)trans-116.3115.7175.7-177.90000108.2L15 V31 I45 Y97 L99L15-V55 HydrophobicContact CD2-CG1 3.87Å; V31-V55 HydrophobicContact CG1-CG1 4.22Å; V31-V55 HydrophobicContact CG1-CG2 4.33Å; I45-V55 HydrophobicContact CG2-CG1 3.75Å; V55-Y97 PolarHBondContact N-O 2.92Å; V55-Y97 PolarHBondContact O-N 3.47Å; V55-L99 HydrophobicContact CG2-CD1 4.02Å; V55-L99 HydrophobicContact CG2-CD2 4.13Å; V55-L99 HydrophobicContact CG2-CG 4.14Å
56M98.8Very high98Very high23 Ų2345.4 Ų45.411%0.11324%0.237CC..EExtended strand (participates in β ladder)trans-97.4135.8175.2-174.3171.7-72.700109.6I45 S46 P48 V85 E88 L95 L96I45-M56 VanDerWaalsContact CA-O 3.24Å; I45-M56 WeakPolarHBondContact CA-O 3.35Å; S46-M56 PolarHBondContact N-O 3.17Å; S46-M56 PolarHBondContact O-N 3.09Å; P48-M56 HydrophobicContact CB-CE 3.92Å; P48-M56 HydrophobicContact CG-CB 4.36Å; P48-M56 HydrophobicContact CG-CE 4.18Å; M56-V85 HydrophobicContact CE-CG2 4.38Å; M56-E88 HydrophobicContact SD-CB 3.99Å; M56-E88 HydrophobicContact SD-CG 4.44Å; M56-L95 CarbonylContact C-O 3.6Å; M56-L95 VanDerWaalsContact CA-O 3.29Å; M56-L95 WeakPolarHBondContact CA-O 3.43Å; M56-L96 HydrophobicContact CB-CD1 4.15Å; M56-L96 HydrophobicContact CE-CD1 4.14Å
57V98.8Very high98Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-120.7111.7172.5-175.50000108I11 L15 H44 I45 S94 L95 Y97 L116I11-V57 HydrophobicContact CD1-CG1 4.21Å; I11-V57 HydrophobicContact CG1-CG1 4.37Å; I11-V57 HydrophobicContact CG2-CG1 4.45Å; L15-V57 HydrophobicContact CD1-CG2 4.27Å; L15-V57 HydrophobicContact CD2-CG2 4Å; L15-V57 HydrophobicContact CG-CG2 4.44Å; H44-V57 WeakPolarHBondContact O-CA 3.24Å; I45-V57 HydrophobicContact CD1-CG2 4.45Å; I45-V57 HydrophobicContact CG1-CB 4.43Å; I45-V57 HydrophobicContact CG1-CG1 4.11Å; I45-V57 HydrophobicContact CG1-CG2 4.08Å; V57-S94 CarbonylContact O-C 3.49Å; V57-S94 WeakPolarHBondContact O-CA 3.41Å; V57-L95 PolarHBondContact N-O 2.95Å; V57-L95 PolarHBondContact O-N 2.87Å; V57-Y97 HydrophobicContact CG2-CD2 4.35Å; V57-Y97 HydrophobicContact CG2-CE2 4.16Å; V57-L116 HydrophobicContact CG1-CD1 4.27Å
58S98.8Very high98Very high0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans-112.3142.4-177.4-58.50000110.9Y43 H44 E88 V93 S94Y43-S58 CarbonylContact C-O 3.56Å; Y43-S58 VanDerWaalsContact CA-O 3.29Å; Y43-S58 WeakPolarHBondContact CA-O 3.24Å; H44-S58 PolarHBondContact N-O 3.37Å; H44-S58 PolarHBondContact O-N 2.87Å; S58-E88 WeakPolarHBondContact CB-OE2 3.37Å; S58-E88 VanDerWaalsContact OG-CB 3.32Å; S58-E88 WeakPolarHBondContact OG-CB 3.16Å; S58-E88 PolarHBondContact OG-OE2 3.02Å; S58-V93 WeakPolarHBondContact CA-O 3.22Å; S58-S94 WeakPolarHBondContact CB-OG 3.39Å; S58-S94 PolarHBondContact OG-OG 2.7Å
59I98.8Very high98Very high0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-121.6141.9175-169.8175.3000110.5V41 L42 Y43 L61 Y91 N92 V93 L116 K117V41-I59 HydrophobicContact CG1-CD1 3.62Å; V41-I59 HydrophobicContact CG1-CG1 3.58Å; L42-I59 CarbonylContact O-C 3.55Å; L42-I59 WeakPolarHBondContact O-CA 3.29Å; Y43-I59 HydrophobicContact CD1-CB 3.77Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 3.8Å; Y43-I59 HydrophobicContact CE1-CB 3.64Å; Y43-I59 HydrophobicContact CE1-CD1 3.43Å; Y43-I59 VanDerWaalsContact CE1-CD1 3.43Å; Y43-I59 HydrophobicContact CE1-CG1 3.44Å; Y43-I59 VanDerWaalsContact CE1-CG1 3.44Å; I59-L61 HydrophobicContact CB-CD1 4.39Å; I59-L61 HydrophobicContact CD1-CD1 3.7Å; I59-L61 HydrophobicContact CD1-CD2 4.16Å; I59-L61 HydrophobicContact CD1-CG 4Å; I59-L61 HydrophobicContact CG1-CD1 3.68Å; I59-L61 HydrophobicContact CG1-CG 4.1Å; I59-L61 HydrophobicContact CG2-CD1 3.92Å; I59-Y91 WeakPolarHBondContact O-CB 3.32Å; I59-N92 PolarHBondContact O-N 3.47Å; I59-V93 HydrophobicContact CG2-CB 3.69Å; I59-V93 HydrophobicContact CG2-CG2 4.29Å; I59-V93 PolarHBondContact N-O 3.44Å; I59-V93 PolarHBondContact O-N 3.02Å; I59-L116 HydrophobicContact CB-CD2 3.63Å; I59-L116 HydrophobicContact CD1-CD2 3.67Å; I59-L116 HydrophobicContact CG1-CD2 4.22Å; I59-L116 HydrophobicContact CG2-CD2 3.19Å; I59-K117 HydrophobicContact CD1-CB 4.09Å
60S98.7Very high98.1Very high32 Ų3242.1 Ų42.122%0.22423%0.225CC..EExtended strand (participates in β ladder)trans-124124.6173.6-174.70000109.5L42 G90 N92L42-S60 PolarHBondContact N-O 3.05Å; L42-S60 PolarHBondContact O-N 2.66Å; S60-G90 PolarHBondContact OG-O 3.41Å; S60-N92 VanDerWaalsContact CA-OD1 3.29Å; S60-N92 WeakPolarHBondContact CA-OD1 3.45Å
61L98.1Very high98.2Very high2 Ų240.4 Ų40.41%0.0121%0.207CC..  trans-131.8125.7176.3-43.290.1000108.1V41 I59 F63 Y64 N92 C120 F121V41-L61 HydrophobicContact CG2-CD2 3.93Å; V41-L61 HydrophobicContact CG2-CG 4.1Å; I59-L61 HydrophobicContact CB-CD1 4.39Å; I59-L61 HydrophobicContact CD1-CD1 3.7Å; I59-L61 HydrophobicContact CD1-CD2 4.16Å; I59-L61 HydrophobicContact CD1-CG 4Å; I59-L61 HydrophobicContact CG1-CD1 3.68Å; I59-L61 HydrophobicContact CG1-CG 4.1Å; I59-L61 HydrophobicContact CG2-CD1 3.92Å; L61-F63 HydrophobicContact CB-CE1 4.29Å; L61-F63 HydrophobicContact CB-CE2 4.18Å; L61-F63 HydrophobicContact CB-CZ 4.06Å; L61-F63 HydrophobicContact CD2-CE2 3.8Å; L61-F63 HydrophobicContact CD2-CZ 3.8Å; L61-F63 PolarHBondContact O-N 3.41Å; L61-F63 VanDerWaalsContact O-N 3.13Å; L61-Y64 HydrophobicContact CD1-CD2 4.01Å; L61-Y64 WeakPolarHBondContact O-CB 3.35Å; L61-Y64 PolarHBondContact O-N 3.5Å; L61-Y64 VanDerWaalsContact O-N 3.13Å; L61-N92 PolarHBondContact N-OD1 3.24Å; L61-N92 PolarHBondContact O-OD1 3.28Å; L61-N92 VanDerWaalsContact O-OD1 3.09Å; L61-C120 HydrophobicContact CD2-CB 4.41Å; L61-F121 HydrophobicContact CD2-CE2 4.3Å
62K98.1Very high98.2Very high148 Ų14837.6 Ų37.664%0.64319%0.192SC*.THydrogen-bonded Turntrans-57.8-31.8-179.1-62.8-177-174.4-178.50113D148K62-D148 WeakPolarHBondContact CD-OD1 3.36Å; K62-D148 IonicContact NZ-OD1 3.65Å; K62-D148 PolarHBondContact NZ-OD1 3.35Å; K62-D148 IonicContact NZ-OD2 3.37Å; K62-D148 PolarHBondContact NZ-OD2 3.46Å
63F97.7Very high98.2Very high8 Ų836.2 Ų36.24%0.03519%0.189CC..THydrogen-bonded Turntrans-99.814.6-176.152-91.3000113.5L61 K65 E66 L67 F121 I144 H145 Y146L61-F63 HydrophobicContact CB-CE1 4.29Å; L61-F63 HydrophobicContact CB-CE2 4.18Å; L61-F63 HydrophobicContact CB-CZ 4.06Å; L61-F63 HydrophobicContact CD2-CE2 3.8Å; L61-F63 HydrophobicContact CD2-CZ 3.8Å; L61-F63 PolarHBondContact O-N 3.41Å; L61-F63 VanDerWaalsContact O-N 3.13Å; F63-K65 PolarHBondContact O-N 3.07Å; F63-K65 VanDerWaalsContact O-N 3.17Å; F63-E66 WeakPolarHBondContact O-CB 3.14Å; F63-E66 PolarHBondContact O-N 2.94Å; F63-L67 HydrophobicContact CD2-CD1 3.84Å; F63-L67 HydrophobicContact CD2-CG 4.07Å; F63-L67 HydrophobicContact CE2-CD1 3.79Å; F63-L67 HydrophobicContact CE2-CG 4.45Å; F63-L67 PolarHBondContact O-N 3.48Å; F63-F121 HydrophobicContact CD2-CZ 4.31Å; F63-F121 HydrophobicContact CE2-CD2 4.47Å; F63-F121 AromaticContact CE2-CE1 3.88Å; F63-F121 HydrophobicContact CE2-CE1 3.88Å; F63-F121 AromaticContact CE2-CE2 3.53Å; F63-F121 HydrophobicContact CE2-CE2 3.53Å; F63-F121 AromaticContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CZ-CE1 4.37Å; F63-F121 AromaticContact CZ-CE2 3.62Å; F63-F121 HydrophobicContact CZ-CE2 3.62Å; F63-F121 AromaticContact CZ-CZ 3.33Å; F63-F121 HydrophobicContact CZ-CZ 3.33Å; F63-I144 HydrophobicContact CD2-CG2 3.93Å; F63-I144 HydrophobicContact CG-CG2 4.44Å; F63-H145 WeakPolarHBondContact CB-O 3.43Å; F63-H145 VanDerWaalsContact CD1-O 3.22Å; F63-H145 WeakPolarHBondContact CD1-O 3.37Å; F63-H145 WeakPolarHBondContact CG-O 3.17Å; F63-Y146 WeakPolarHBondContact CE1-O 3.36Å
64Y98.4Very high98.2Very high9 Ų941 Ų414%0.03521%0.21CC..Hα-helixtrans-58.3-33.6-177.9-175.4-100.3000113.2L61 E66 L67 Q68 A72 D73 L76 N92 V93L61-Y64 HydrophobicContact CD1-CD2 4.01Å; L61-Y64 WeakPolarHBondContact O-CB 3.35Å; L61-Y64 PolarHBondContact O-N 3.5Å; L61-Y64 VanDerWaalsContact O-N 3.13Å; Y64-E66 VanDerWaalsContact C-N 3.27Å; Y64-E66 PolarHBondContact O-N 3.39Å; Y64-L67 PolarHBondContact O-N 3.46Å; Y64-Q68 HydrophobicContact CE1-CB 4.32Å; Y64-Q68 WeakPolarHBondContact O-CB 3.33Å; Y64-Q68 PolarHBondContact O-N 3.06Å; Y64-A72 HydrophobicContact CE2-CB 4.3Å; Y64-D73 PolarHBondContact OH-OD1 3.2Å; Y64-L76 HydrophobicContact CE2-CD1 4.08Å; Y64-L76 VanDerWaalsContact OH-CD1 3.3Å; Y64-L76 WeakPolarHBondContact OH-CD1 3.38Å; Y64-N92 HydrophobicContact CD1-CB 3.67Å; Y64-N92 HydrophobicContact CD2-CB 3.96Å; Y64-N92 HydrophobicContact CE1-CB 4.24Å; Y64-N92 HydrophobicContact CE2-CB 4.48Å; Y64-N92 HydrophobicContact CG-CB 3.51Å; Y64-V93 HydrophobicContact CD2-CG2 4.22Å; Y64-V93 HydrophobicContact CE1-CG2 4.32Å; Y64-V93 HydrophobicContact CE2-CG2 3.35Å; Y64-V93 VanDerWaalsContact CZ-CG2 3.42Å; Y64-V93 WeakPolarHBondContact OH-CG2 3.38Å
65K98.3Very high98.2Very high139 Ų13937.8 Ų37.860%0.60420%0.196SC*.Hα-helixtrans-64.5-32178.4-69.9-64.1174.1-172.10113.3F63 Q68 A69F63-K65 PolarHBondContact O-N 3.07Å; F63-K65 VanDerWaalsContact O-N 3.17Å; K65-Q68 VanDerWaalsContact CD-OE1 3.26Å; K65-Q68 PolarHBondContact O-N 3.31Å; K65-A69 PolarHBondContact O-N 2.84Å
66E98.3Very high98.1Very high58 Ų5837.8 Ų37.827%0.27120%0.196SC..Hα-helixtrans-70-44.8174.5-58.6172.8168.500109.8F63 Y64 Q68 A69 H70 I144 H145F63-E66 WeakPolarHBondContact O-CB 3.14Å; F63-E66 PolarHBondContact O-N 2.94Å; Y64-E66 VanDerWaalsContact C-N 3.27Å; Y64-E66 PolarHBondContact O-N 3.39Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 3.18Å; E66-A69 WeakPolarHBondContact O-CB 3.39Å; E66-A69 PolarHBondContact O-N 3.1Å; E66-H70 PolarHBondContact O-CD2 3.41Å; E66-I144 HydrophobicContact CB-CD1 3.83Å; E66-I144 WeakPolarHBondContact OE2-CA 3.43Å; E66-H145 IonicContact OE1-CE1 3.55Å; E66-H145 IonicContact OE1-CG 3.47Å; E66-H145 IonicContact OE1-ND1 2.73Å; E66-H145 PolarHBondContact OE1-ND1 2.89Å; E66-H145 IonicContact OE2-CG 3.79Å; E66-H145 PolarHBondContact OE2-N 2.85Å; E66-H145 IonicContact OE2-ND1 3.03Å; E66-H145 PolarHBondContact OE2-ND1 2.65Å
67L98.3Very high98.1Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-60.6-39.1173.8-62.8176000112.5F63 Y64 A69 H70 G71 A72 C120 F121 V124 I144F63-L67 HydrophobicContact CD2-CD1 3.84Å; F63-L67 HydrophobicContact CD2-CG 4.07Å; F63-L67 HydrophobicContact CE2-CD1 3.79Å; F63-L67 HydrophobicContact CE2-CG 4.45Å; F63-L67 PolarHBondContact O-N 3.48Å; Y64-L67 PolarHBondContact O-N 3.46Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.87Å; L67-H70 CarbonylContact O-C 3.59Å; L67-H70 WeakPolarHBondContact O-CA 3.32Å; L67-H70 PolarHBondContact O-N 2.73Å; L67-G71 PolarHBondContact O-N 3.15Å; L67-A72 HydrophobicContact CB-CB 4.12Å; L67-A72 WeakPolarHBondContact O-CB 3.32Å; L67-A72 PolarHBondContact O-N 3.06Å; L67-C120 HydrophobicContact CD1-CB 4.24Å; L67-F121 HydrophobicContact CD2-CD1 4.3Å; L67-V124 HydrophobicContact CD2-CG1 4.29Å; L67-I144 HydrophobicContact CD2-CD1 4.04Å; L67-I144 HydrophobicContact CD2-CG1 4.32Å; L67-I144 HydrophobicContact CD2-CG2 3.99Å
68Q97.9Very high98.1Very high57 Ų5749.5 Ų49.527%0.26624%0.242SC..Hα-helixtrans-61.1-38.7177.4-171.3172.955.500111.6Y64 K65 E66 H70 G71 D73Y64-Q68 HydrophobicContact CE1-CB 4.32Å; Y64-Q68 WeakPolarHBondContact O-CB 3.33Å; Y64-Q68 PolarHBondContact O-N 3.06Å; K65-Q68 VanDerWaalsContact CD-OE1 3.26Å; K65-Q68 PolarHBondContact O-N 3.31Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 3.18Å; Q68-H70 PolarHBondContact O-N 2.74Å; Q68-H70 VanDerWaalsContact O-N 3.08Å; Q68-G71 PolarHBondContact O-N 2.76Å; Q68-D73 PolarHBondContact NE2-OD1 3.37Å; Q68-D73 PolarHBondContact NE2-OD2 3.47Å
69A98.1Very high98Very high71 Ų7151.9 Ų51.959%0.58726%0.257SS*.THydrogen-bonded Turntrans-62.3-15.4173.800000113.7K65 E66 L67K65-A69 PolarHBondContact O-N 2.84Å; E66-A69 WeakPolarHBondContact O-CB 3.39Å; E66-A69 PolarHBondContact O-N 3.1Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 2.87Å
70H98.3Very high98Very high28 Ų2852.1 Ų52.113%0.1326%0.258CS..THydrogen-bonded Turntrans-111.920.6176.7-61.3-79000113.6E66 L67 Q68 V124 K127 Y128 A142E66-H70 PolarHBondContact O-CD2 3.41Å; L67-H70 CarbonylContact O-C 3.59Å; L67-H70 WeakPolarHBondContact O-CA 3.32Å; L67-H70 PolarHBondContact O-N 2.73Å; Q68-H70 PolarHBondContact O-N 2.74Å; Q68-H70 VanDerWaalsContact O-N 3.08Å; H70-V124 HydrophobicContact CB-CB 3.96Å; H70-V124 HydrophobicContact CB-CG2 3.97Å; H70-K127 HydrophobicContact CB-CD 4.05Å; H70-K127 PolarHBondContact ND1-NZ 2.71Å; H70-Y128 PolarHBondContact CE1-OH 3.15Å; H70-Y128 AromaticContact ND1-CE2 3.69Å; H70-A142 WeakPolarHBondContact CE1-CB 3.45Å; H70-A142 WeakPolarHBondContact NE2-CB 3.15Å
71G97.3Very high97.9Very high23 Ų2352 Ų5224%0.23726%0.261CS..THydrogen-bonded Turntrans90.728.7167.300000115.1L67 Q68 E74 L75 S123L67-G71 PolarHBondContact O-N 3.15Å; Q68-G71 PolarHBondContact O-N 2.76Å; G71-E74 WeakPolarHBondContact CA-OE2 3.35Å; G71-L75 PolarHBondContact O-N 3.31Å; G71-S123 VanDerWaalsContact C-CB 3.5Å; G71-S123 WeakPolarHBondContact O-CB 3.18Å
72A97.7Very high97.8Very high0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-60.8-44.3178.200000112.4Y64 L67 E74 L75 L76 S123Y64-A72 HydrophobicContact CE2-CB 4.3Å; L67-A72 HydrophobicContact CB-CB 4.12Å; L67-A72 WeakPolarHBondContact O-CB 3.32Å; L67-A72 PolarHBondContact O-N 3.06Å; A72-E74 VanDerWaalsContact C-N 3.35Å; A72-E74 PolarHBondContact O-N 3.22Å; A72-L75 PolarHBondContact O-N 3.19Å; A72-L76 WeakPolarHBondContact O-CB 3.13Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 3.43Å; A72-S123 WeakPolarHBondContact CA-OG 3.43Å; A72-S123 PolarHBondContact N-OG 3.07Å
73D96.9Very high97.8Very high65 Ų6551.9 Ų51.935%0.34827%0.273SS..Hα-helixtrans-63.4-40.7-175.2-64.9-9.4000111.7Y64 Q68 L76 K77Y64-D73 PolarHBondContact OH-OD1 3.2Å; Q68-D73 PolarHBondContact NE2-OD1 3.37Å; Q68-D73 PolarHBondContact NE2-OD2 3.47Å; D73-L76 PolarHBondContact O-N 3.37Å; D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.35Å; D73-K77 PolarHBondContact O-N 2.83Å
74E97.5Very high97.8Very high125 Ų12553.5 Ų53.558%0.58428%0.282SS*.Hα-helixtrans-66.4-43.3178.8-6479.4-177.900111.6G71 A72 K77 R78G71-E74 WeakPolarHBondContact CA-OE2 3.35Å; A72-E74 VanDerWaalsContact C-N 3.35Å; A72-E74 PolarHBondContact O-N 3.22Å; E74-K77 PolarHBondContact O-N 3.33Å; E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 3.17Å
75L97.9Very high97.8Very high5 Ų555.2 Ų55.23%0.02629%0.293CS..Hα-helixtrans-63.8-48.9176.3-175.7156.9000110.3G71 A72 K77 R78 V79 N119 A122 E126G71-L75 PolarHBondContact O-N 3.31Å; A72-L75 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.37Å; L75-R78 WeakPolarHBondContact O-CB 3.35Å; L75-R78 PolarHBondContact O-N 3.08Å; L75-R78 VanDerWaalsContact O-N 3.09Å; L75-V79 HydrophobicContact CD2-CG2 3.75Å; L75-V79 HydrophobicContact CG-CG2 4.46Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 2.98Å; L75-N119 HydrophobicContact CD2-CB 4.27Å; L75-N119 WeakPolarHBondContact CD2-O 3.4Å; L75-A122 HydrophobicContact CD1-CB 3.75Å; L75-E126 HydrophobicContact CD1-CG 4.23Å; L75-E126 WeakPolarHBondContact CD1-OE2 3.41Å
76L98.3Very high97.8Very high0 Ų055.5 Ų55.50%030%0.302CS..Hα-helixtrans-62.7-38.2-179.6-67.7171000111.3Y64 A72 D73 R78 V79 Y80 L84 V93 N119Y64-L76 HydrophobicContact CE2-CD1 4.08Å; Y64-L76 VanDerWaalsContact OH-CD1 3.3Å; Y64-L76 WeakPolarHBondContact OH-CD1 3.38Å; A72-L76 WeakPolarHBondContact O-CB 3.13Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 3.43Å; D73-L76 PolarHBondContact O-N 3.37Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3.05Å; L76-V79 PolarHBondContact O-N 3.4Å; L76-Y80 HydrophobicContact CB-CD2 4.34Å; L76-Y80 HydrophobicContact CD2-CD2 3.92Å; L76-Y80 HydrophobicContact CD2-CE2 3.57Å; L76-Y80 WeakPolarHBondContact O-CB 3.37Å; L76-Y80 WeakPolarHBondContact O-CD2 3.1Å; L76-Y80 PolarHBondContact O-N 3.34Å; L76-L84 HydrophobicContact CB-CD1 3.55Å; L76-V93 HydrophobicContact CD1-CG1 4.18Å; L76-V93 HydrophobicContact CD1-CG2 3.64Å; L76-N119 HydrophobicContact CD2-CB 4.17Å
77K98.1Very high97.8Very high113 Ų11356.1 Ų56.149%0.49131%0.311SS..Hα-helixtrans-64.5-37.7174.6-169.459174.1175.10112D73 E74 L75 G81D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.35Å; D73-K77 PolarHBondContact O-N 2.83Å; E74-K77 PolarHBondContact O-N 3.33Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.37Å; K77-G81 PolarHBondContact NZ-O 3.44Å; K77-G81 WeakPolarHBondContact O-CA 3.49Å; K77-G81 PolarHBondContact O-N 3.24Å
78R97.8Very high97.8Very high157 Ų15758.4 Ų58.459%0.59232%0.321SS*.Hα-helixtrans-67.8-39.6175.5-175.1176.966.3-1373.5112.5E74 L75 L76 E126E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 3.17Å; L75-R78 WeakPolarHBondContact O-CB 3.35Å; L75-R78 PolarHBondContact O-N 3.08Å; L75-R78 VanDerWaalsContact O-N 3.09Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 PolarHBondContact O-N 3.05Å; R78-E126 IonicContact CZ-OE2 3.21Å; R78-E126 IonicContact NH2-OE1 3.65Å; R78-E126 IonicContact NH2-OE2 2.72Å; R78-E126 PolarHBondContact NH2-OE2 3.47Å
79V97.6Very high97.8Very high50 Ų5061.4 Ų61.430%0.30335%0.349SS..Hα-helixtrans-76.4-49.1-178.11730000111.9L75 L76L75-V79 HydrophobicContact CD2-CG2 3.75Å; L75-V79 HydrophobicContact CG-CG2 4.46Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 2.98Å; L76-V79 PolarHBondContact O-N 3.4Å
80Y98Very high97.8Very high5 Ų561.1 Ų61.12%0.0235%0.352CS..Hα-helixtrans-100.3-16.1-169.8-63.1-67.8000113.7L76 S82 F83 L84 L95 Q112 L116 N119L76-Y80 HydrophobicContact CB-CD2 4.34Å; L76-Y80 HydrophobicContact CD2-CD2 3.92Å; L76-Y80 HydrophobicContact CD2-CE2 3.57Å; L76-Y80 WeakPolarHBondContact O-CB 3.37Å; L76-Y80 WeakPolarHBondContact O-CD2 3.1Å; L76-Y80 PolarHBondContact O-N 3.34Å; Y80-S82 PolarHBondContact O-N 2.98Å; Y80-F83 WeakPolarHBondContact O-CB 3.3Å; Y80-F83 WeakPolarHBondContact O-CD2 3.43Å; Y80-F83 PolarHBondContact O-N 3.49Å; Y80-L84 HydrophobicContact CD2-CD1 4.46Å; Y80-L95 HydrophobicContact CD1-CD1 3.56Å; Y80-L95 HydrophobicContact CD1-CD2 3.9Å; Y80-L95 HydrophobicContact CD1-CG 4.4Å; Y80-L95 HydrophobicContact CD2-CD2 3.96Å; Y80-L95 HydrophobicContact CE1-CD1 3.52Å; Y80-L95 HydrophobicContact CG-CD1 4.1Å; Y80-L95 HydrophobicContact CG-CD2 3.59Å; Y80-Q112 HydrophobicContact CE1-CB 4.12Å; Y80-Q112 WeakPolarHBondContact CE1-O 3.22Å; Y80-Q112 PolarHBondContact OH-O 3.31Å; Y80-L116 WeakPolarHBondContact OH-CA 3.44Å; Y80-N119 HydrophobicContact CE2-CB 4.2Å; Y80-N119 PolarHBondContact OH-ND2 3.5Å
81G96.5Very high97.8Very high28 Ų2861.8 Ų61.829%0.28935%0.354SS..THydrogen-bonded Turntrans54.1-110.4169.500000114K77K77-G81 PolarHBondContact NZ-O 3.44Å; K77-G81 WeakPolarHBondContact O-CA 3.49Å; K77-G81 PolarHBondContact O-N 3.24Å
82S96.5Very high97.8Very high103 Ų10362.7 Ų62.772%0.7235%0.353SS*.THydrogen-bonded Turntrans-78-20.9179.653.80000114Y80 L84Y80-S82 PolarHBondContact O-N 2.98Å; S82-L84 VanDerWaalsContact C-N 3.31Å
83F98.1Very high97.9Very high45 Ų4563 Ų6320%0.19736%0.355CS..SBendtrans-74.5-25.6177.7-58.2-66.3000111.7Y80 V85 L95 L96 Y97 P103 I109Y80-F83 WeakPolarHBondContact O-CB 3.3Å; Y80-F83 WeakPolarHBondContact O-CD2 3.43Å; Y80-F83 PolarHBondContact O-N 3.49Å; F83-V85 PolarHBondContact O-N 3Å; F83-L95 CarbonylContact O-C 3.41Å; F83-L95 VanDerWaalsContact O-CA 3.27Å; F83-L95 WeakPolarHBondContact O-CA 3.41Å; F83-L96 PolarHBondContact O-N 3.35Å; F83-Y97 HydrophobicContact CB-CE1 4.25Å; F83-Y97 AromaticContact CD1-CD1 3.56Å; F83-Y97 HydrophobicContact CD1-CD1 3.56Å; F83-Y97 AromaticContact CD1-CE1 3.59Å; F83-Y97 HydrophobicContact CD1-CE1 3.59Å; F83-Y97 HydrophobicContact CD2-CE1 4.37Å; F83-Y97 AromaticContact CE1-CD1 3.8Å; F83-Y97 HydrophobicContact CE1-CD1 3.8Å; F83-Y97 AromaticContact CE1-CE1 3.98Å; F83-Y97 HydrophobicContact CE1-CE1 3.98Å; F83-Y97 HydrophobicContact CG-CD1 4.25Å; F83-Y97 AromaticContact CG-CE1 3.82Å; F83-Y97 HydrophobicContact CG-CE1 3.82Å; F83-P103 HydrophobicContact CZ-CG 4.42Å; F83-I109 HydrophobicContact CE2-CG2 3.79Å; F83-I109 HydrophobicContact CZ-CG2 3.95Å
84L98.5Very high98Very high42 Ų4259.9 Ų59.922%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-77.3121.3178.8-169143000111L76 Y80 S82 V93 L95L76-L84 HydrophobicContact CB-CD1 3.55Å; Y80-L84 HydrophobicContact CD2-CD1 4.46Å; S82-L84 VanDerWaalsContact C-N 3.31Å; L84-V93 HydrophobicContact CD1-CG1 4.12Å; L84-L95 HydrophobicContact CB-CD2 4.15Å; L84-L95 HydrophobicContact CD1-CD2 4.48Å; L84-L95 HydrophobicContact CG-CD2 4.43Å
85V98.4Very high98Very high45 Ų4554 Ų5427%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-121.6179.7-177.9-64.20000111.2M56 F83 S94 L96M56-V85 HydrophobicContact CE-CG2 4.38Å; F83-V85 PolarHBondContact O-N 3Å; V85-S94 WeakPolarHBondContact CG2-O 3.4Å; V85-S94 PolarHBondContact N-O 2.91Å; V85-S94 VanDerWaalsContact N-O 3.11Å; V85-L96 HydrophobicContact CB-CB 4.41Å; V85-L96 HydrophobicContact CG1-CB 3.69Å; V85-L96 HydrophobicContact CG1-CD2 4.14Å; V85-L96 HydrophobicContact CG2-CB 3.81Å
86N98.2Very high98.1Very high146 Ų14655.9 Ų55.978%0.78132%0.321SS*.SBendtrans-58.8135.5171.5-71-25.9000110
87P98.3Very high98.1Very high71 Ų7155.9 Ų55.946%0.46132%0.321SS..PPolyproline II helixtrans-64.9142.6-175.826.4-34.1000111.7N92 S94P87-N92 WeakPolarHBondContact CB-O 3.33Å; P87-S94 WeakPolarHBondContact CA-OG 3.4Å
88E98.3Very high98.1Very high48 Ų4853.1 Ų53.122%0.22431%0.312CS..PPolyproline II helixtrans-57.8146.8169.1-174.5-175.6173.100110.5H44 M56 S58 G90 Y91 S94H44-E88 IonicContact CE1-OE1 3.37Å; H44-E88 PolarHBondContact CE1-OE1 3.39Å; H44-E88 VanDerWaalsContact CE1-OE1 3.24Å; H44-E88 IonicContact CG-OE2 2.84Å; H44-E88 IonicContact ND1-OE1 3.28Å; H44-E88 PolarHBondContact ND1-OE1 3.32Å; H44-E88 IonicContact ND1-OE2 3.24Å; H44-E88 PolarHBondContact ND1-OE2 3.41Å; H44-E88 VanDerWaalsContact ND1-OE2 3.09Å; M56-E88 HydrophobicContact SD-CB 3.99Å; M56-E88 HydrophobicContact SD-CG 4.44Å; S58-E88 WeakPolarHBondContact CB-OE2 3.37Å; S58-E88 VanDerWaalsContact OG-CB 3.32Å; S58-E88 WeakPolarHBondContact OG-CB 3.16Å; S58-E88 PolarHBondContact OG-OE2 3.02Å; E88-G90 PolarHBondContact O-N 3.26Å; E88-Y91 HydrophobicContact CB-CD2 3.83Å; E88-Y91 HydrophobicContact CB-CG 4.39Å; E88-Y91 HydrophobicContact CG-CD2 3.81Å; E88-Y91 HydrophobicContact CG-CE2 4.25Å; E88-Y91 PolarHBondContact O-N 2.89Å; E88-S94 PolarHBondContact N-OG 3.16Å
89S98.1Very high98Very high120 Ų12046.6 Ų46.684%0.83929%0.288SS*.THydrogen-bonded Turntrans-57.5125.8177.2-167.30000111Y91S89-Y91 WeakPolarHBondContact O-CD2 3.43Å
90G96.9Very high98Very high64 Ų6451.5 Ų51.566%0.6631%0.308SS*.THydrogen-bonded Turntrans88.7-2.4-176.800000115S60 E88S60-G90 PolarHBondContact OG-O 3.41Å; E88-G90 PolarHBondContact O-N 3.26Å
91Y98.6Very high97.8Very high42 Ų4257.2 Ų57.217%0.16534%0.339CS..  trans-118165178.2-62.8-90.8000111.2H44 I59 E88 S89H44-Y91 HydrophobicContact CB-CE1 3.61Å; H44-Y91 HydrophobicContact CB-CE2 4.07Å; H44-Y91 WeakPolarHBondContact CB-OH 3.2Å; I59-Y91 WeakPolarHBondContact O-CB 3.32Å; E88-Y91 HydrophobicContact CB-CD2 3.83Å; E88-Y91 HydrophobicContact CB-CG 4.39Å; E88-Y91 HydrophobicContact CG-CD2 3.81Å; E88-Y91 HydrophobicContact CG-CE2 4.25Å; E88-Y91 PolarHBondContact O-N 2.89Å; S89-Y91 WeakPolarHBondContact O-CD2 3.43Å
92N98.4Very high97.7Very high43 Ų4357.5 Ų57.523%0.2333%0.334CS..SBendtrans-101-37.4-175.7-58.9107.9000113I59 S60 L61 Y64 P87I59-N92 PolarHBondContact O-N 3.47Å; S60-N92 VanDerWaalsContact CA-OD1 3.29Å; S60-N92 WeakPolarHBondContact CA-OD1 3.45Å; L61-N92 PolarHBondContact N-OD1 3.24Å; L61-N92 PolarHBondContact O-OD1 3.28Å; L61-N92 VanDerWaalsContact O-OD1 3.09Å; Y64-N92 HydrophobicContact CD1-CB 3.67Å; Y64-N92 HydrophobicContact CD2-CB 3.96Å; Y64-N92 HydrophobicContact CE1-CB 4.24Å; Y64-N92 HydrophobicContact CE2-CB 4.48Å; Y64-N92 HydrophobicContact CG-CB 3.51Å; P87-N92 WeakPolarHBondContact CB-O 3.33Å
93V98.7Very high97.5Very high6 Ų654.8 Ų54.84%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-138137.2-180-177.60000108.2S58 I59 Y64 L76 L84S58-V93 WeakPolarHBondContact CA-O 3.22Å; I59-V93 HydrophobicContact CG2-CB 3.69Å; I59-V93 HydrophobicContact CG2-CG2 4.29Å; I59-V93 PolarHBondContact N-O 3.44Å; I59-V93 PolarHBondContact O-N 3.02Å; Y64-V93 HydrophobicContact CD2-CG2 4.22Å; Y64-V93 HydrophobicContact CE1-CG2 4.32Å; Y64-V93 HydrophobicContact CE2-CG2 3.35Å; Y64-V93 VanDerWaalsContact CZ-CG2 3.42Å; Y64-V93 WeakPolarHBondContact OH-CG2 3.38Å; L76-V93 HydrophobicContact CD1-CG1 4.18Å; L76-V93 HydrophobicContact CD1-CG2 3.64Å; L84-V93 HydrophobicContact CD1-CG1 4.12Å
94S98.8Very high97.2Very high0 Ų057.9 Ų57.90%035%0.347CS..EExtended strand (participates in β ladder)trans-131.9134.5174.7-62.10000111V57 S58 V85 P87 E88V57-S94 CarbonylContact O-C 3.49Å; V57-S94 WeakPolarHBondContact O-CA 3.41Å; S58-S94 WeakPolarHBondContact CB-OG 3.39Å; S58-S94 PolarHBondContact OG-OG 2.7Å; V85-S94 WeakPolarHBondContact CG2-O 3.4Å; V85-S94 PolarHBondContact N-O 2.91Å; V85-S94 VanDerWaalsContact N-O 3.11Å; P87-S94 WeakPolarHBondContact CA-OG 3.4Å; E88-S94 PolarHBondContact N-OG 3.16Å
95L98.8Very high96.9Very high0 Ų059.5 Ų59.50%036%0.362CS..EExtended strand (participates in β ladder)trans-106.2137.4172-53.4-177000108.8M56 V57 Y80 F83 L84 Y97 L116M56-L95 CarbonylContact C-O 3.6Å; M56-L95 VanDerWaalsContact CA-O 3.29Å; M56-L95 WeakPolarHBondContact CA-O 3.43Å; V57-L95 PolarHBondContact N-O 2.95Å; V57-L95 PolarHBondContact O-N 2.87Å; Y80-L95 HydrophobicContact CD1-CD1 3.56Å; Y80-L95 HydrophobicContact CD1-CD2 3.9Å; Y80-L95 HydrophobicContact CD1-CG 4.4Å; Y80-L95 HydrophobicContact CD2-CD2 3.96Å; Y80-L95 HydrophobicContact CE1-CD1 3.52Å; Y80-L95 HydrophobicContact CG-CD1 4.1Å; Y80-L95 HydrophobicContact CG-CD2 3.59Å; F83-L95 CarbonylContact O-C 3.41Å; F83-L95 VanDerWaalsContact O-CA 3.27Å; F83-L95 WeakPolarHBondContact O-CA 3.41Å; L84-L95 HydrophobicContact CB-CD2 4.15Å; L84-L95 HydrophobicContact CD1-CD2 4.48Å; L84-L95 HydrophobicContact CG-CD2 4.43Å; L95-Y97 HydrophobicContact CB-CE2 3.77Å; L95-Y97 HydrophobicContact CD1-CE2 4.44Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.39Å; L95-L116 HydrophobicContact CD1-CD1 3.54Å; L95-L116 HydrophobicContact CD1-CG 4.25Å; L95-L116 HydrophobicContact CG-CD1 3.86Å
96L98.7Very high96.6Very high45 Ų4559.8 Ų59.824%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-119.7124.6178.7-173.964.7000110P48 K54 M56 F83 V85P48-L96 HydrophobicContact CG-CD1 3.85Å; K54-L96 HydrophobicContact CB-CD1 4.04Å; M56-L96 HydrophobicContact CB-CD1 4.15Å; M56-L96 HydrophobicContact CE-CD1 4.14Å; F83-L96 PolarHBondContact O-N 3.35Å; V85-L96 HydrophobicContact CB-CB 4.41Å; V85-L96 HydrophobicContact CG1-CB 3.69Å; V85-L96 HydrophobicContact CG1-CD2 4.14Å; V85-L96 HydrophobicContact CG2-CB 3.81Å
97Y98.4Very high96.5Very high1 Ų159.3 Ų59.30%0.00436%0.357CS..EExtended strand (participates in β ladder)trans-113.1122.7176.4-61-82.5000109.6L15 F19 K54 V55 V57 F83 L95 I109 A113L15-Y97 HydrophobicContact CD1-CD2 4.49Å; L15-Y97 HydrophobicContact CD1-CE2 4.06Å; L15-Y97 HydrophobicContact CD2-CD2 4.15Å; L15-Y97 HydrophobicContact CD2-CE2 4.49Å; F19-Y97 HydrophobicContact CE1-CD1 4.49Å; F19-Y97 HydrophobicContact CE1-CG 4.23Å; F19-Y97 AromaticContact CZ-CD1 3.71Å; F19-Y97 HydrophobicContact CZ-CD1 3.71Å; F19-Y97 HydrophobicContact CZ-CD2 4.42Å; F19-Y97 HydrophobicContact CZ-CE1 4.33Å; F19-Y97 AromaticContact CZ-CG 3.76Å; F19-Y97 HydrophobicContact CZ-CG 3.76Å; K54-Y97 WeakPolarHBondContact CA-O 3.29Å; V55-Y97 PolarHBondContact N-O 2.92Å; V55-Y97 PolarHBondContact O-N 3.47Å; V57-Y97 HydrophobicContact CG2-CD2 4.35Å; V57-Y97 HydrophobicContact CG2-CE2 4.16Å; F83-Y97 HydrophobicContact CB-CE1 4.25Å; F83-Y97 AromaticContact CD1-CD1 3.56Å; F83-Y97 HydrophobicContact CD1-CD1 3.56Å; F83-Y97 AromaticContact CD1-CE1 3.59Å; F83-Y97 HydrophobicContact CD1-CE1 3.59Å; F83-Y97 HydrophobicContact CD2-CE1 4.37Å; F83-Y97 AromaticContact CE1-CD1 3.8Å; F83-Y97 HydrophobicContact CE1-CD1 3.8Å; F83-Y97 AromaticContact CE1-CE1 3.98Å; F83-Y97 HydrophobicContact CE1-CE1 3.98Å; F83-Y97 HydrophobicContact CG-CD1 4.25Å; F83-Y97 AromaticContact CG-CE1 3.82Å; F83-Y97 HydrophobicContact CG-CE1 3.82Å; L95-Y97 HydrophobicContact CB-CE2 3.77Å; L95-Y97 HydrophobicContact CD1-CE2 4.44Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.39Å; Y97-I109 HydrophobicContact CD1-CD1 4.38Å; Y97-I109 HydrophobicContact CE1-CB 4.48Å; Y97-I109 HydrophobicContact CE1-CD1 4.4Å; Y97-A113 HydrophobicContact CE2-CB 4.48Å; Y97-A113 WeakPolarHBondContact OH-CB 3.32Å
98D97.9Very high96.3Very high55 Ų5559.1 Ų59.129%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-91.1114173.1-173.9-11.2000109.2E100 N101 L102D98-E100 PolarHBondContact O-N 2.9Å; D98-E100 WeakPolarHBondContact OD1-CB 3.26Å; D98-E100 PolarHBondContact OD1-N 3.09Å; D98-N101 HydrophobicContact CB-CB 4.33Å; D98-N101 CarbonylContact O-C 3.55Å; D98-N101 PolarHBondContact O-N 3.07Å; D98-N101 VanDerWaalsContact O-N 3.16Å; D98-L102 WeakPolarHBondContact O-CD2 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.26Å
99L97.1Very high96.2Very high19 Ų1957.8 Ų57.810%0.09935%0.352CS..THydrogen-bonded Turntrans-68-20.2-178.9-61.8-179.3000112.4K18 F19 A22 P28 T53 V55 L102K18-L99 HydrophobicContact CB-CD2 4.3Å; F19-L99 HydrophobicContact CD1-CD2 3.66Å; F19-L99 HydrophobicContact CE1-CD2 3.92Å; A22-L99 HydrophobicContact CB-CB 3.96Å; A22-L99 HydrophobicContact CB-CD2 4.23Å; P28-L99 HydrophobicContact CB-CD1 4.44Å; T53-L99 WeakPolarHBondContact O-CB 3.28Å; T53-L99 VanDerWaalsContact O-CG 3.22Å; T53-L99 WeakPolarHBondContact O-CG 3.49Å; T53-L99 PolarHBondContact O-N 3.12Å; V55-L99 HydrophobicContact CG2-CD1 4.02Å; V55-L99 HydrophobicContact CG2-CD2 4.13Å; V55-L99 HydrophobicContact CG2-CG 4.14Å; L99-L102 HydrophobicContact CD2-CD1 4.32Å
100E96.2Very high96.2Very high153 Ų15352.7 Ų52.772%0.71532%0.315SS*.THydrogen-bonded Turntrans-82.4-17.7176-59.1-174.5159.900112.2T53 D98T53-E100 HydrophobicContact CG2-CG 4.3Å; D98-E100 PolarHBondContact O-N 2.9Å; D98-E100 WeakPolarHBondContact OD1-CB 3.26Å; D98-E100 PolarHBondContact OD1-N 3.09Å
101N95.5Very high96.3Very high125 Ų12553.7 Ų53.767%0.66830%0.303SS*.SBendtrans-132.956.2-175.3-170.429.2000112.3D98D98-N101 HydrophobicContact CB-CB 4.33Å; D98-N101 CarbonylContact O-C 3.55Å; D98-N101 PolarHBondContact O-N 3.07Å; D98-N101 VanDerWaalsContact O-N 3.16Å
102L93.6Very high96.2Very high35 Ų3554.5 Ų54.518%0.18331%0.308CS..  trans-84.5143.3176.9-65.7175.7000112F19 A22 D98 L99 I109F19-L102 HydrophobicContact CB-CD1 3.91Å; F19-L102 HydrophobicContact CD1-CD1 3.66Å; F19-L102 HydrophobicContact CD1-CD2 3.85Å; F19-L102 HydrophobicContact CD1-CG 4.44Å; F19-L102 HydrophobicContact CE1-CD1 4.39Å; F19-L102 HydrophobicContact CE1-CD2 3.73Å; F19-L102 HydrophobicContact CG-CD1 3.85Å; F19-L102 HydrophobicContact CG-CD2 4.33Å; F19-L102 HydrophobicContact CZ-CD2 4.1Å; A22-L102 HydrophobicContact CB-CD1 4.14Å; D98-L102 WeakPolarHBondContact O-CD2 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.26Å; L99-L102 HydrophobicContact CD2-CD1 4.32Å; L102-I109 HydrophobicContact CD2-CD1 4.44Å
103P92.7Very high96.2Very high46 Ų4652.5 Ų52.530%0.29930%0.297SS..  trans-68.7162.3172.331.1-35.6000111.6F83 S105 I109F83-P103 HydrophobicContact CZ-CG 4.42Å; P103-S105 PolarHBondContact O-N 3.01Å; P103-I109 HydrophobicContact CG-CD1 3.67Å; P103-I109 HydrophobicContact CG-CG1 4.31Å; P103-I109 HydrophobicContact CG-CG2 4.06Å
104A90.3Very high96.2Very high109 Ų10952.2 Ų52.290%0.90130%0.296SS*.SBendtrans-62.7-40.5177.100000112.6K106A104-K106 PolarHBondContact O-N 3.3Å
105S92.2Very high96.2Very high76 Ų7653.1 Ų53.153%0.53130%0.3SS..  trans-89.888.5178.4-171.20000111P103P103-S105 PolarHBondContact O-N 3.01Å
106K93.6Very high96.2Very high52 Ų5253.1 Ų53.123%0.22630%0.3CS..Hα-helixtrans-74-39.4-178.5-65.3171.1179.8-168.70112.3F19 A104 S108 I109 V110F19-K106 HydrophobicContact CB-CD 4.18Å; F19-K106 HydrophobicContact CD2-CB 4.41Å; F19-K106 PolarHBondContact O-NZ 3.1Å; A104-K106 PolarHBondContact O-N 3.3Å; K106-S108 VanDerWaalsContact C-N 3.25Å; K106-S108 PolarHBondContact O-N 3.37Å; K106-I109 WeakPolarHBondContact O-CG1 3.03Å; K106-I109 PolarHBondContact O-N 3.17Å; K106-V110 VanDerWaalsContact O-CG2 3.31Å; K106-V110 WeakPolarHBondContact O-CG2 3.31Å; K106-V110 PolarHBondContact O-N 2.9Å
107D94.6Very high96.2Very high136 Ų13651.7 Ų51.773%0.72729%0.292SS*.Hα-helixtrans-60-37.3-176.8-57.9-20.1000112.3V110 H111D107-V110 PolarHBondContact O-N 3.24Å; D107-H111 VanDerWaalsContact O-CB 3.31Å; D107-H111 WeakPolarHBondContact O-CB 3.18Å; D107-H111 PolarHBondContact O-N 3.42Å
108S95.1Very high96.2Very high67 Ų6752.3 Ų52.347%0.46930%0.295SS..Hα-helixtrans-64.5-45.2178.9-176.70000112.1K106 H111 Q112K106-S108 VanDerWaalsContact C-N 3.25Å; K106-S108 PolarHBondContact O-N 3.37Å; S108-H111 PolarHBondContact O-N 3.2Å; S108-Q112 WeakPolarHBondContact O-CG 3.47Å; S108-Q112 PolarHBondContact O-N 2.97Å
109I96.5Very high96.2Very high20 Ų2049.8 Ų49.810%0.10328%0.281CS..Hα-helixtrans-72-34.7179.658.7164.2000112.1F19 F83 Y97 L102 P103 K106 Q112 A113F19-I109 HydrophobicContact CD2-CD1 4.09Å; F19-I109 HydrophobicContact CD2-CG1 4.48Å; F19-I109 HydrophobicContact CE2-CD1 3.44Å; F19-I109 VanDerWaalsContact CE2-CD1 3.44Å; F19-I109 HydrophobicContact CE2-CG1 3.88Å; F19-I109 HydrophobicContact CZ-CD1 4Å; F83-I109 HydrophobicContact CE2-CG2 3.79Å; F83-I109 HydrophobicContact CZ-CG2 3.95Å; Y97-I109 HydrophobicContact CD1-CD1 4.38Å; Y97-I109 HydrophobicContact CE1-CB 4.48Å; Y97-I109 HydrophobicContact CE1-CD1 4.4Å; L102-I109 HydrophobicContact CD2-CD1 4.44Å; P103-I109 HydrophobicContact CG-CD1 3.67Å; P103-I109 HydrophobicContact CG-CG1 4.31Å; P103-I109 HydrophobicContact CG-CG2 4.06Å; K106-I109 WeakPolarHBondContact O-CG1 3.03Å; K106-I109 PolarHBondContact O-N 3.17Å; I109-Q112 PolarHBondContact O-N 3.31Å; I109-A113 WeakPolarHBondContact O-CB 3.49Å; I109-A113 PolarHBondContact O-N 3.33Å
110V98.3Very high96.3Very high13 Ų1348.9 Ų48.98%0.07928%0.276CS..Hα-helixtrans-62.5-47.9173.8172.10000109.8E12 L15 A16 F19 K106 D107 Q112 A113 G114E12-V110 HydrophobicContact CB-CG1 3.86Å; E12-V110 HydrophobicContact CG-CG1 3.99Å; E12-V110 WeakPolarHBondContact O-CG1 3.14Å; L15-V110 HydrophobicContact CB-CG2 4.13Å; A16-V110 HydrophobicContact CB-CG1 4.47Å; F19-V110 HydrophobicContact CD2-CG2 3.49Å; F19-V110 VanDerWaalsContact CD2-CG2 3.49Å; F19-V110 HydrophobicContact CE2-CG2 3.56Å; K106-V110 VanDerWaalsContact O-CG2 3.31Å; K106-V110 WeakPolarHBondContact O-CG2 3.31Å; K106-V110 PolarHBondContact O-N 2.9Å; D107-V110 PolarHBondContact O-N 3.24Å; V110-Q112 PolarHBondContact O-N 2.85Å; V110-A113 WeakPolarHBondContact O-CB 3.42Å; V110-A113 PolarHBondContact O-N 3.48Å; V110-G114 PolarHBondContact O-N 2.92Å
111H97.9Very high96.3Very high84 Ų8442 Ų4239%0.38924%0.244SC..Hα-helixtrans-63.6-42.8179.2-174.452.7000112.6E12 D107 S108 A113 G114 M115E12-H111 IonicContact OE1-CG 2.69Å; E12-H111 IonicContact OE1-ND1 3.02Å; E12-H111 PolarHBondContact OE1-ND1 2.88Å; E12-H111 VanDerWaalsContact OE1-ND1 3.09Å; D107-H111 VanDerWaalsContact O-CB 3.31Å; D107-H111 WeakPolarHBondContact O-CB 3.18Å; D107-H111 PolarHBondContact O-N 3.42Å; S108-H111 PolarHBondContact O-N 3.2Å; H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.5Å; H111-G114 PolarHBondContact O-N 3.46Å; H111-G114 VanDerWaalsContact O-N 3.17Å; H111-M115 PolarHBondContact O-N 3Å
112Q97.8Very high96.5Very high60 Ų6036 Ų3628%0.2821%0.212SC..Hα-helixtrans-62.9-37.2174.9-71.9-60.2-33.800112.2Y80 S108 I109 V110 M115 N119Y80-Q112 HydrophobicContact CE1-CB 4.12Å; Y80-Q112 WeakPolarHBondContact CE1-O 3.22Å; Y80-Q112 PolarHBondContact OH-O 3.31Å; S108-Q112 WeakPolarHBondContact O-CG 3.47Å; S108-Q112 PolarHBondContact O-N 2.97Å; I109-Q112 PolarHBondContact O-N 3.31Å; V110-Q112 PolarHBondContact O-N 2.85Å; Q112-M115 VanDerWaalsContact NE2-CE 3.28Å; Q112-M115 PolarHBondContact O-N 3.47Å; Q112-N119 PolarHBondContact OE1-ND2 3.5Å
113A98.3Very high96.6Very high0 Ų034.6 Ų34.60%021%0.205CC..Hα-helixtrans-65.4-39.7173.300000111.8I11 L15 Y97 I109 V110 H111 M115 L116I11-A113 HydrophobicContact CG2-CB 3.83Å; L15-A113 HydrophobicContact CD1-CB 3.36Å; Y97-A113 HydrophobicContact CE2-CB 4.48Å; Y97-A113 WeakPolarHBondContact OH-CB 3.32Å; I109-A113 WeakPolarHBondContact O-CB 3.49Å; I109-A113 PolarHBondContact O-N 3.33Å; V110-A113 WeakPolarHBondContact O-CB 3.42Å; V110-A113 PolarHBondContact O-N 3.48Å; H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.5Å; A113-M115 PolarHBondContact O-N 3Å; A113-L116 WeakPolarHBondContact O-CB 3.47Å; A113-L116 PolarHBondContact O-N 3.19Å
114G98.5Very high96.9Very high1 Ų132.4 Ų32.41%0.0119%0.191CC..Hα-helixtrans-59.7-28.817500000113.4N7 N8 V110 H111 L116N7-G114 WeakPolarHBondContact CA-O 3.39Å; N8-G114 PolarHBondContact N-O 3.48Å; V110-G114 PolarHBondContact O-N 2.92Å; H111-G114 PolarHBondContact O-N 3.46Å; H111-G114 VanDerWaalsContact O-N 3.17Å; G114-L116 VanDerWaalsContact C-N 3.35Å; G114-L116 PolarHBondContact O-N 3.24Å
115M98.5Very high97.3Very high19 Ų1927.2 Ų27.29%0.09415%0.148CC..THydrogen-bonded Turntrans-90.317.2-179.8-66.6-168.8-67.700114.5H111 Q112 A113 K117 R118 N119H111-M115 PolarHBondContact O-N 3Å; Q112-M115 VanDerWaalsContact NE2-CE 3.28Å; Q112-M115 PolarHBondContact O-N 3.47Å; A113-M115 PolarHBondContact O-N 3Å; M115-K117 PolarHBondContact O-N 2.57Å; M115-R118 HydrophobicContact CB-CB 4.45Å; M115-R118 WeakPolarHBondContact O-CB 3.28Å; M115-R118 PolarHBondContact O-N 3.11Å; M115-R118 VanDerWaalsContact O-N 3.1Å; M115-N119 PolarHBondContact O-N 2.85Å
116L98.6Very high97.6Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-58-49.7-171.3-155.7164.2000113.7Y43 V57 I59 Y80 L95 A113 G114 R118 N119 C120Y43-L116 HydrophobicContact CE1-CB 4.39Å; Y43-L116 HydrophobicContact CE1-CD2 4.49Å; V57-L116 HydrophobicContact CG1-CD1 4.27Å; I59-L116 HydrophobicContact CB-CD2 3.63Å; I59-L116 HydrophobicContact CD1-CD2 3.67Å; I59-L116 HydrophobicContact CG1-CD2 4.22Å; I59-L116 HydrophobicContact CG2-CD2 3.19Å; Y80-L116 WeakPolarHBondContact OH-CA 3.44Å; L95-L116 HydrophobicContact CD1-CD1 3.54Å; L95-L116 HydrophobicContact CD1-CG 4.25Å; L95-L116 HydrophobicContact CG-CD1 3.86Å; A113-L116 WeakPolarHBondContact O-CB 3.47Å; A113-L116 PolarHBondContact O-N 3.19Å; G114-L116 VanDerWaalsContact C-N 3.35Å; G114-L116 PolarHBondContact O-N 3.24Å; L116-R118 PolarHBondContact O-N 3.29Å; L116-N119 PolarHBondContact O-N 3.2Å; L116-C120 PolarHBondContact O-N 3.16Å; L116-C120 PolarHBondContact O-SG 2.97Å
117K98.6Very high97.8Very high14 Ų1425.4 Ų25.46%0.06113%0.131CC..Hα-helixtrans-54.9-50.4172.5172.7-177176.4-179.10111.3D37 F38 D39 V41 Y43 I59 M115 N119 C120 F121D37-K117 HydrophobicContact CB-CD 4.38Å; D37-K117 IonicContact OD1-NZ 2.76Å; F38-K117 VanDerWaalsContact C-NZ 3.32Å; F38-K117 PolarHBondContact O-NZ 3.36Å; D39-K117 WeakPolarHBondContact OD2-CE 3.38Å; D39-K117 IonicContact OD2-NZ 3.76Å; D39-K117 PolarHBondContact OD2-NZ 3.43Å; V41-K117 HydrophobicContact CG2-CD 4.02Å; V41-K117 HydrophobicContact CG2-CG 4.34Å; Y43-K117 WeakPolarHBondContact OH-CB 3.29Å; Y43-K117 PolarHBondContact OH-N 3.49Å; I59-K117 HydrophobicContact CD1-CB 4.09Å; M115-K117 PolarHBondContact O-N 2.57Å; K117-N119 VanDerWaalsContact C-N 3.31Å; K117-N119 PolarHBondContact O-N 3.3Å; K117-C120 WeakPolarHBondContact O-CB 3.04Å; K117-C120 PolarHBondContact O-N 3.38Å; K117-C120 VanDerWaalsContact O-N 3.16Å; K117-F121 HydrophobicContact CG-CD2 4.06Å; K117-F121 HydrophobicContact CG-CE2 4.13Å; K117-F121 WeakPolarHBondContact O-CD2 3.45Å; K117-F121 PolarHBondContact O-N 3.07Å; K117-F121 VanDerWaalsContact O-N 3.12Å
118R98.5Very high98Very high15 Ų1519 Ų196%0.05710%0.097CC..Hα-helixtrans-56.9-45.2-179.9177.4-85.4-170.3-167.9-2111.4V6 M115 L116 C120 F121 A122 D238 N242V6-R118 HydrophobicContact CG1-CB 3.81Å; V6-R118 HydrophobicContact CG1-CG 3.77Å; M115-R118 HydrophobicContact CB-CB 4.45Å; M115-R118 WeakPolarHBondContact O-CB 3.28Å; M115-R118 PolarHBondContact O-N 3.11Å; M115-R118 VanDerWaalsContact O-N 3.1Å; L116-R118 PolarHBondContact O-N 3.29Å; R118-C120 VanDerWaalsContact C-N 3.34Å; R118-C120 PolarHBondContact O-N 3.45Å; R118-F121 PolarHBondContact O-N 3.34Å; R118-A122 WeakPolarHBondContact O-CB 3.47Å; R118-A122 PolarHBondContact O-N 2.73Å; R118-D238 IonicContact CZ-OD1 3.76Å; R118-D238 IonicContact NH1-OD1 2.67Å; R118-D238 PolarHBondContact NH1-OD1 3.48Å; R118-D238 VanDerWaalsContact NH2-CA 3.28Å; R118-D238 PolarHBondContact NH2-O 3.02Å; R118-D238 VanDerWaalsContact NH2-O 3.16Å; R118-D238 IonicContact NH2-OD1 2.71Å; R118-D238 PolarHBondContact NH2-OD1 2.8Å; R118-N242 PolarHBondContact NE-OD1 3.36Å; R118-N242 PolarHBondContact NH2-OD1 3.31Å
119N98.4Very high98.2Very high1 Ų115.9 Ų15.91%0.0057%0.074CC..Hα-helixtrans-68.9-31.6-179.3-72.4-24.7000112.2L75 L76 Y80 Q112 M115 L116 K117 A122L75-N119 HydrophobicContact CD2-CB 4.27Å; L75-N119 WeakPolarHBondContact CD2-O 3.4Å; L76-N119 HydrophobicContact CD2-CB 4.17Å; Y80-N119 HydrophobicContact CE2-CB 4.2Å; Y80-N119 PolarHBondContact OH-ND2 3.5Å; Q112-N119 PolarHBondContact OE1-ND2 3.5Å; M115-N119 PolarHBondContact O-N 2.85Å; L116-N119 PolarHBondContact O-N 3.2Å; K117-N119 VanDerWaalsContact C-N 3.31Å; K117-N119 PolarHBondContact O-N 3.3Å; N119-A122 PolarHBondContact O-N 2.95Å
120C98.1Very high98.2Very high0 Ų019.4 Ų19.40%09%0.09CC..Hα-helixtrans-61.7-43.4169.5-64.90000111.7L61 L67 L116 K117 R118 S123L61-C120 HydrophobicContact CD2-CB 4.41Å; L67-C120 HydrophobicContact CD1-CB 4.24Å; L116-C120 PolarHBondContact O-N 3.16Å; L116-C120 PolarHBondContact O-SG 2.97Å; K117-C120 WeakPolarHBondContact O-CB 3.04Å; K117-C120 PolarHBondContact O-N 3.38Å; K117-C120 VanDerWaalsContact O-N 3.16Å; R118-C120 VanDerWaalsContact C-N 3.34Å; R118-C120 PolarHBondContact O-N 3.45Å; C120-S123 PolarHBondContact O-OG 2.87Å
121F97.6Very high98.2Very high8 Ų820 Ų204%0.0359%0.092CC..Hα-helixtrans-72.8-27.6177.7-88.6-87.8000113.7L61 F63 L67 K117 R118 S123 V124 F125 M152L61-F121 HydrophobicContact CD2-CE2 4.3Å; F63-F121 HydrophobicContact CD2-CZ 4.31Å; F63-F121 HydrophobicContact CE2-CD2 4.47Å; F63-F121 AromaticContact CE2-CE1 3.88Å; F63-F121 HydrophobicContact CE2-CE1 3.88Å; F63-F121 AromaticContact CE2-CE2 3.53Å; F63-F121 HydrophobicContact CE2-CE2 3.53Å; F63-F121 AromaticContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CZ-CE1 4.37Å; F63-F121 AromaticContact CZ-CE2 3.62Å; F63-F121 HydrophobicContact CZ-CE2 3.62Å; F63-F121 AromaticContact CZ-CZ 3.33Å; F63-F121 HydrophobicContact CZ-CZ 3.33Å; L67-F121 HydrophobicContact CD2-CD1 4.3Å; K117-F121 HydrophobicContact CG-CD2 4.06Å; K117-F121 HydrophobicContact CG-CE2 4.13Å; K117-F121 WeakPolarHBondContact O-CD2 3.45Å; K117-F121 PolarHBondContact O-N 3.07Å; K117-F121 VanDerWaalsContact O-N 3.12Å; R118-F121 PolarHBondContact O-N 3.34Å; F121-S123 PolarHBondContact O-N 3.39Å; F121-S123 VanDerWaalsContact O-N 3.16Å; F121-V124 WeakPolarHBondContact O-CG1 3.32Å; F121-F125 HydrophobicContact CB-CE2 4.41Å; F121-F125 VanDerWaalsContact O-CD2 3.28Å; F121-F125 WeakPolarHBondContact O-CD2 3.4Å; F121-M152 HydrophobicContact CD1-CE 4.49Å
122A98.3Very high98.2Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-60.1-31.2-171.200000113.2L75 R118 N119 V124 F125 E126 I241L75-A122 HydrophobicContact CD1-CB 3.75Å; R118-A122 WeakPolarHBondContact O-CB 3.47Å; R118-A122 PolarHBondContact O-N 2.73Å; N119-A122 PolarHBondContact O-N 2.95Å; A122-V124 PolarHBondContact O-N 3.19Å; A122-F125 PolarHBondContact O-N 2.67Å; A122-F125 VanDerWaalsContact O-N 3.11Å; A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.1Å; A122-I241 HydrophobicContact CB-CD1 4.34Å; A122-I241 HydrophobicContact CB-CG2 4.12Å
123S97.1Very high98.2Very high5 Ų520.2 Ų20.24%0.0359%0.093CC..Hα-helixtrans-60.1-44.7-172.7600000113.1G71 A72 C120 F121 F125 E126 K127G71-S123 VanDerWaalsContact C-CB 3.5Å; G71-S123 WeakPolarHBondContact O-CB 3.18Å; A72-S123 WeakPolarHBondContact CA-OG 3.43Å; A72-S123 PolarHBondContact N-OG 3.07Å; C120-S123 PolarHBondContact O-OG 2.87Å; F121-S123 PolarHBondContact O-N 3.39Å; F121-S123 VanDerWaalsContact O-N 3.16Å; S123-F125 VanDerWaalsContact C-N 3.29Å; S123-F125 PolarHBondContact O-N 3.36Å; S123-E126 PolarHBondContact O-N 3.12Å; S123-K127 WeakPolarHBondContact O-CB 3.36Å; S123-K127 PolarHBondContact O-N 3.39Å
124V98.4Very high98.1Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-63.9-37.8178.7700000110.7L67 H70 F121 A122 Y128 A142 I144 M152 V154L67-V124 HydrophobicContact CD2-CG1 4.29Å; H70-V124 HydrophobicContact CB-CB 3.96Å; H70-V124 HydrophobicContact CB-CG2 3.97Å; F121-V124 WeakPolarHBondContact O-CG1 3.32Å; A122-V124 PolarHBondContact O-N 3.19Å; V124-Y128 HydrophobicContact CG2-CD2 4.18Å; V124-Y128 HydrophobicContact CG2-CE2 4.05Å; V124-Y128 WeakPolarHBondContact O-CD2 3.31Å; V124-Y128 PolarHBondContact O-N 2.72Å; V124-A142 HydrophobicContact CG2-CB 3.45Å; V124-A142 VanDerWaalsContact CG2-CB 3.45Å; V124-I144 HydrophobicContact CG2-CD1 4.46Å; V124-I144 HydrophobicContact CG2-CG1 4.43Å; V124-M152 HydrophobicContact CG1-CE 4.07Å; V124-V154 HydrophobicContact CG2-CB 4.46Å; V124-V154 HydrophobicContact CG2-CG2 4.26Å
125F98.6Very high98Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-70.6-45.6177-60.8-69.9000111.8F121 A122 S123 K127 Y128 F129 M152 V154 V163 I241 I244 H245F121-F125 HydrophobicContact CB-CE2 4.41Å; F121-F125 VanDerWaalsContact O-CD2 3.28Å; F121-F125 WeakPolarHBondContact O-CD2 3.4Å; A122-F125 PolarHBondContact O-N 2.67Å; A122-F125 VanDerWaalsContact O-N 3.11Å; S123-F125 VanDerWaalsContact C-N 3.29Å; S123-F125 PolarHBondContact O-N 3.36Å; F125-K127 VanDerWaalsContact C-N 3.31Å; F125-K127 PolarHBondContact O-N 3.17Å; F125-Y128 PolarHBondContact O-N 3.09Å; F125-F129 HydrophobicContact CB-CE1 4.36Å; F125-F129 HydrophobicContact CB-CE2 4.44Å; F125-F129 HydrophobicContact CB-CZ 4.15Å; F125-F129 WeakPolarHBondContact O-CB 3.47Å; F125-F129 WeakPolarHBondContact O-CD1 3.43Å; F125-F129 WeakPolarHBondContact O-CG 3.43Å; F125-F129 PolarHBondContact O-N 2.8Å; F125-M152 HydrophobicContact CE1-CE 4.19Å; F125-M152 HydrophobicContact CE1-SD 3.98Å; F125-M152 HydrophobicContact CE2-CE 4.33Å; F125-M152 HydrophobicContact CZ-CE 3.68Å; F125-M152 HydrophobicContact CZ-SD 3.55Å; F125-M152 VanDerWaalsContact CZ-SD 3.55Å; F125-V154 HydrophobicContact CE1-CG2 4.22Å; F125-V163 HydrophobicContact CD1-CG2 4.36Å; F125-V163 HydrophobicContact CE1-CG1 4.11Å; F125-V163 HydrophobicContact CE1-CG2 4.09Å; F125-I241 HydrophobicContact CB-CD1 3.82Å; F125-I241 HydrophobicContact CB-CG1 3.69Å; F125-I241 HydrophobicContact CD2-CG1 4.33Å; F125-I241 HydrophobicContact CD2-CG2 4.15Å; F125-I241 HydrophobicContact CG-CG1 4.19Å; F125-I244 HydrophobicContact CD1-CG2 4.16Å; F125-I244 HydrophobicContact CE1-CG2 3.78Å; F125-I244 HydrophobicContact CE2-CG2 4.28Å; F125-I244 HydrophobicContact CZ-CG2 3.84Å; F125-H245 HydrophobicContact CE2-CB 4.16Å
126E98.4Very high97.8Very high25 Ų2530.2 Ų30.212%0.11715%0.15CC..Hα-helixtrans-57.6-44178.5-68.1-155.1147.300111.9L75 R78 A122 S123 Y128 F129 Q130 R237 I241L75-E126 HydrophobicContact CD1-CG 4.23Å; L75-E126 WeakPolarHBondContact CD1-OE2 3.41Å; R78-E126 IonicContact CZ-OE2 3.21Å; R78-E126 IonicContact NH2-OE1 3.65Å; R78-E126 IonicContact NH2-OE2 2.72Å; R78-E126 PolarHBondContact NH2-OE2 3.47Å; A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.1Å; S123-E126 PolarHBondContact O-N 3.12Å; E126-Y128 PolarHBondContact O-N 2.97Å; E126-F129 PolarHBondContact O-N 3.42Å; E126-Q130 WeakPolarHBondContact O-CB 3.47Å; E126-Q130 PolarHBondContact O-N 2.84Å; E126-R237 IonicContact OE1-CZ 3.78Å; E126-R237 VanDerWaalsContact OE1-CZ 3.28Å; E126-R237 IonicContact OE1-NE 3.99Å; E126-R237 PolarHBondContact OE1-NE 2.89Å; E126-R237 VanDerWaalsContact OE1-NE 3.08Å; E126-R237 IonicContact OE1-NH2 2.67Å; E126-R237 PolarHBondContact OE1-NH2 2.87Å; E126-R237 IonicContact OE2-NH2 3.94Å; E126-I241 HydrophobicContact CG-CD1 4.02Å
127K98.4Very high97.5Very high65 Ų6535.4 Ų35.428%0.28317%0.174SC..Hα-helixtrans-57.2-48.7177.9179.1176.4178.4174.60112.1H70 S123 F125 Q130 F131H70-K127 HydrophobicContact CB-CD 4.05Å; H70-K127 PolarHBondContact ND1-NZ 2.71Å; S123-K127 WeakPolarHBondContact O-CB 3.36Å; S123-K127 PolarHBondContact O-N 3.39Å; F125-K127 VanDerWaalsContact C-N 3.31Å; F125-K127 PolarHBondContact O-N 3.17Å; K127-Q130 PolarHBondContact O-N 2.87Å; K127-F131 HydrophobicContact CD-CE2 4.44Å; K127-F131 HydrophobicContact CD-CZ 4.34Å; K127-F131 VanDerWaalsContact CE-CZ 3.49Å; K127-F131 HydrophobicContact CG-CD2 4.49Å; K127-F131 HydrophobicContact CG-CE1 4.33Å; K127-F131 HydrophobicContact CG-CE2 3.99Å; K127-F131 HydrophobicContact CG-CZ 3.92Å; K127-F131 WeakPolarHBondContact O-CG 3.37Å; K127-F131 PolarHBondContact O-N 3.38Å
128Y98.5Very high97.2Very high3 Ų338.4 Ų38.41%0.01221%0.209CC..Hα-helixtrans-78.1-27-176.7-76.3-101.8000112.8H70 V124 F125 E126 Q130 F131 Q132 N140 R141 A142 V154H70-Y128 PolarHBondContact CE1-OH 3.15Å; H70-Y128 AromaticContact ND1-CE2 3.69Å; V124-Y128 HydrophobicContact CG2-CD2 4.18Å; V124-Y128 HydrophobicContact CG2-CE2 4.05Å; V124-Y128 WeakPolarHBondContact O-CD2 3.31Å; V124-Y128 PolarHBondContact O-N 2.72Å; F125-Y128 PolarHBondContact O-N 3.09Å; E126-Y128 PolarHBondContact O-N 2.97Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-F131 HydrophobicContact CD1-CD2 4.23Å; Y128-F131 HydrophobicContact CE1-CD2 4.38Å; Y128-F131 HydrophobicContact CG-CD2 4.43Å; Y128-Q132 PolarHBondContact O-N 3.28Å; Y128-Q132 VanDerWaalsContact O-N 3.17Å; Y128-N140 WeakPolarHBondContact CE1-O 3.33Å; Y128-N140 PolarHBondContact OH-O 2.97Å; Y128-R141 VanDerWaalsContact OH-C 3.24Å; Y128-A142 HydrophobicContact CE2-CB 3.6Å; Y128-A142 PolarHBondContact OH-N 2.65Å; Y128-V154 HydrophobicContact CD1-CG1 4.07Å; Y128-V154 HydrophobicContact CD2-CB 4.43Å; Y128-V154 HydrophobicContact CD2-CG1 4.04Å; Y128-V154 VanDerWaalsContact CE1-O 3.23Å; Y128-V154 WeakPolarHBondContact CE1-O 3.3Å; Y128-V154 HydrophobicContact CG-CB 4.34Å; Y128-V154 HydrophobicContact CG-CG1 3.64Å
129F98.4Very high97Very high1 Ų141.7 Ų41.70%0.00423%0.225CC..Hα-helixtrans-67.1-41.3171-67.86000110.3F125 E126 Q132 E133 V161 L227 T232 R237 T240 I241F125-F129 HydrophobicContact CB-CE1 4.36Å; F125-F129 HydrophobicContact CB-CE2 4.44Å; F125-F129 HydrophobicContact CB-CZ 4.15Å; F125-F129 WeakPolarHBondContact O-CB 3.47Å; F125-F129 WeakPolarHBondContact O-CD1 3.43Å; F125-F129 WeakPolarHBondContact O-CG 3.43Å; F125-F129 PolarHBondContact O-N 2.8Å; E126-F129 PolarHBondContact O-N 3.42Å; F129-Q132 PolarHBondContact O-N 3.4Å; F129-E133 PolarHBondContact O-N 3.03Å; F129-V161 HydrophobicContact CD1-CB 4.23Å; F129-V161 HydrophobicContact CD1-CG1 4Å; F129-V161 HydrophobicContact CD1-CG2 3.99Å; F129-V161 HydrophobicContact CE1-CB 4.34Å; F129-V161 HydrophobicContact CE1-CG1 3.98Å; F129-L227 HydrophobicContact CE1-CD1 3.81Å; F129-L227 HydrophobicContact CZ-CD1 3.76Å; F129-T232 HydrophobicContact CD1-CG2 3.59Å; F129-T232 HydrophobicContact CD2-CG2 4.08Å; F129-T232 HydrophobicContact CE1-CG2 3.73Å; F129-T232 HydrophobicContact CE2-CG2 4.22Å; F129-T232 HydrophobicContact CG-CG2 3.79Å; F129-T232 HydrophobicContact CZ-CG2 4.06Å; F129-R237 HydrophobicContact CD2-CB 4.38Å; F129-R237 HydrophobicContact CD2-CG 3.68Å; F129-R237 HydrophobicContact CE2-CG 3.98Å; F129-T240 HydrophobicContact CE2-CG2 4.18Å; F129-T240 HydrophobicContact CZ-CG2 3.98Å; F129-I241 HydrophobicContact CE2-CD1 4.5Å; F129-I241 HydrophobicContact CE2-CG1 4.12Å
130Q97.8Very high96.9Very high93 Ų9348.3 Ų48.344%0.43526%0.261SS..Hα-helixtrans-65.3-41.4175-176.3173.60.500112.2E126 K127 Y128 Q132 E133 E134E126-Q130 WeakPolarHBondContact O-CB 3.47Å; E126-Q130 PolarHBondContact O-N 2.84Å; K127-Q130 PolarHBondContact O-N 2.87Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 2.84Å; Q130-E133 PolarHBondContact O-N 3.22Å; Q130-E134 HydrophobicContact CG-CG 4.22Å; Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.32Å; Q130-E134 PolarHBondContact NE2-OE1 3.43Å; Q130-E134 WeakPolarHBondContact O-CB 3.47Å; Q130-E134 WeakPolarHBondContact O-CG 3.44Å; Q130-E134 PolarHBondContact O-N 2.92Å
131F98.3Very high96.8Very high27 Ų2751.5 Ų51.512%0.11827%0.273CS..Hα-helixtrans-56.5-42.2173.2-72-14.6000112.5K127 Y128 G135 K136 E139K127-F131 HydrophobicContact CD-CE2 4.44Å; K127-F131 HydrophobicContact CD-CZ 4.34Å; K127-F131 VanDerWaalsContact CE-CZ 3.49Å; K127-F131 HydrophobicContact CG-CD2 4.49Å; K127-F131 HydrophobicContact CG-CE1 4.33Å; K127-F131 HydrophobicContact CG-CE2 3.99Å; K127-F131 HydrophobicContact CG-CZ 3.92Å; K127-F131 WeakPolarHBondContact O-CG 3.37Å; K127-F131 PolarHBondContact O-N 3.38Å; Y128-F131 HydrophobicContact CD1-CD2 4.23Å; Y128-F131 HydrophobicContact CE1-CD2 4.38Å; Y128-F131 HydrophobicContact CG-CD2 4.43Å; F131-G135 PolarHBondContact O-N 2.97Å; F131-G135 VanDerWaalsContact O-N 3.16Å; F131-K136 HydrophobicContact CB-CB 4.3Å; F131-K136 HydrophobicContact CD1-CB 4.4Å; F131-K136 HydrophobicContact CD1-CD 4.01Å; F131-K136 HydrophobicContact CE1-CD 4.34Å; F131-K136 PolarHBondContact O-N 3.41Å; F131-E139 HydrophobicContact CD2-CB 3.87Å; F131-E139 HydrophobicContact CD2-CG 3.84Å; F131-E139 HydrophobicContact CE2-CB 3.8Å; F131-E139 HydrophobicContact CE2-CG 3.81Å; F131-E139 HydrophobicContact CG-CG 4.24Å; F131-E139 HydrophobicContact CZ-CG 4.19Å
132Q97.8Very high96.8Very high20 Ų2051.1 Ų51.19%0.09327%0.271CS..Hα-helixtrans-66.8-42.7177.1-170-84.7-63.700111.7Y128 F129 Q130 E134 G135 S156 K157 K158 V161 T232Y128-Q132 PolarHBondContact O-N 3.28Å; Y128-Q132 VanDerWaalsContact O-N 3.17Å; F129-Q132 PolarHBondContact O-N 3.4Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 2.84Å; Q132-E134 VanDerWaalsContact C-N 3.35Å; Q132-G135 PolarHBondContact O-N 2.58Å; Q132-S156 WeakPolarHBondContact CA-OG 3.45Å; Q132-S156 WeakPolarHBondContact CB-OG 3.43Å; Q132-S156 PolarHBondContact N-OG 3.28Å; Q132-S156 VanDerWaalsContact N-OG 3.16Å; Q132-K157 WeakPolarHBondContact CG-O 3.39Å; Q132-K158 PolarHBondContact NE2-O 2.92Å; Q132-V161 HydrophobicContact CB-CG2 3.57Å; Q132-V161 HydrophobicContact CG-CG2 3.93Å; Q132-T232 PolarHBondContact OE1-OG1 2.84Å
133E97Very high96.8Very high127 Ų12753.1 Ų53.159%0.59328%0.283SS*.Hα-helixtrans-63.7-38.6178.6-174.6170.4-157.600112.5F129 Q130 G135F129-E133 PolarHBondContact O-N 3.03Å; Q130-E133 PolarHBondContact O-N 3.22Å; E133-G135 VanDerWaalsContact C-N 3.29Å; E133-G135 PolarHBondContact O-N 3.39Å
134E97Very high96.8Very high93 Ų9352.9 Ų52.944%0.43528%0.282SS..THydrogen-bonded Turntrans-81.1-6.3178.1-67.4176.1179.200113.6Q130 Q132 K136Q130-E134 HydrophobicContact CG-CG 4.22Å; Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.32Å; Q130-E134 PolarHBondContact NE2-OE1 3.43Å; Q130-E134 WeakPolarHBondContact O-CB 3.47Å; Q130-E134 WeakPolarHBondContact O-CG 3.44Å; Q130-E134 PolarHBondContact O-N 2.92Å; Q132-E134 VanDerWaalsContact C-N 3.35Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 HydrophobicContact CB-CD 4.37Å; E134-K136 HydrophobicContact CB-CG 4.18Å; E134-K136 PolarHBondContact O-N 3.17Å; E134-K136 WeakPolarHBondContact OE2-CD 3.23Å; E134-K136 WeakPolarHBondContact OE2-CE 3.27Å; E134-K136 IonicContact OE2-NZ 3.97Å; E134-K136 PolarHBondContact OE2-NZ 3.19Å
135G95.3Very high96.8Very high45 Ų4556.1 Ų56.146%0.46430%0.296SS..THydrogen-bonded Turntrans68.525.3-175.900000113.9F131 Q132 E133 E137F131-G135 PolarHBondContact O-N 2.97Å; F131-G135 VanDerWaalsContact O-N 3.16Å; Q132-G135 PolarHBondContact O-N 2.58Å; E133-G135 VanDerWaalsContact C-N 3.29Å; E133-G135 PolarHBondContact O-N 3.39Å; G135-E137 PolarHBondContact O-N 2.81Å
136K94.8Very high96.7Very high93 Ų9356.3 Ų56.340%0.40430%0.297SS..  trans-79.798.1174.6-71178.3176.4162.70109.8F131 E134 E139F131-K136 HydrophobicContact CB-CB 4.3Å; F131-K136 HydrophobicContact CD1-CB 4.4Å; F131-K136 HydrophobicContact CD1-CD 4.01Å; F131-K136 HydrophobicContact CE1-CD 4.34Å; F131-K136 PolarHBondContact O-N 3.41Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 HydrophobicContact CB-CD 4.37Å; E134-K136 HydrophobicContact CB-CG 4.18Å; E134-K136 PolarHBondContact O-N 3.17Å; E134-K136 WeakPolarHBondContact OE2-CD 3.23Å; E134-K136 WeakPolarHBondContact OE2-CE 3.27Å; E134-K136 IonicContact OE2-NZ 3.97Å; E134-K136 PolarHBondContact OE2-NZ 3.19Å; K136-E139 HydrophobicContact CB-CG 4.24Å
137E92.6Very high96.7Very high108 Ų10858.8 Ų58.851%0.50531%0.306SS..  trans-95.8155178.6-60.3-176.9-135.900111.3G135 E139 K158G135-E137 PolarHBondContact O-N 2.81Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.8Å; E137-K158 HydrophobicContact CG-CB 4.29Å; E137-K158 WeakPolarHBondContact OE1-CB 3.4Å; E137-K158 WeakPolarHBondContact OE1-CD 3.17Å; E137-K158 VanDerWaalsContact OE1-CG 3.25Å; E137-K158 WeakPolarHBondContact OE1-CG 3.44Å
138G91.4Very high96.5Very high78 Ų7862 Ų6280%0.80433%0.326SS*.SBendtrans78.36.8175.800000115
139E95.8Very high96.4Very high84 Ų8464.8 Ų64.839%0.39334%0.341SS..PPolyproline II helixtrans-63.7144.2171.3-65.2-63.7157.700110.9F131 K136 E137 R141F131-E139 HydrophobicContact CD2-CB 3.87Å; F131-E139 HydrophobicContact CD2-CG 3.84Å; F131-E139 HydrophobicContact CE2-CB 3.8Å; F131-E139 HydrophobicContact CE2-CG 3.81Å; F131-E139 HydrophobicContact CG-CG 4.24Å; F131-E139 HydrophobicContact CZ-CG 4.19Å; K136-E139 HydrophobicContact CB-CG 4.24Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.8Å; E139-R141 PolarHBondContact O-N 3.4Å
140N95.3Very high96.4Very high139 Ų13964.8 Ų64.874%0.74334%0.341SS*.PPolyproline II helixtrans-58.2137.7178.1-70.7-34.2000110.7Y128Y128-N140 WeakPolarHBondContact CE1-O 3.33Å; Y128-N140 PolarHBondContact OH-O 2.97Å
141R95.9Very high96.4Very high68 Ų6861.2 Ų61.226%0.25733%0.325SS..PPolyproline II helixtrans-63.8147.8173.370.2-172.372.7-96.4-14111.2Y128 E139 V143 V154 E155Y128-R141 VanDerWaalsContact OH-C 3.24Å; E139-R141 PolarHBondContact O-N 3.4Å; R141-V143 HydrophobicContact CG-CG2 4.22Å; R141-V154 CarbonylContact C-O 3.5Å; R141-V154 WeakPolarHBondContact CA-O 3.29Å; R141-E155 HydrophobicContact CB-CB 4.17Å; R141-E155 IonicContact CZ-OE1 3.64Å; R141-E155 IonicContact CZ-OE2 3.72Å; R141-E155 IonicContact NH1-OE1 2.99Å; R141-E155 PolarHBondContact NH1-OE1 3.43Å; R141-E155 IonicContact NH1-OE2 3.4Å; R141-E155 PolarHBondContact NH1-OE2 3.35Å; R141-E155 IonicContact NH2-OE1 2.72Å; R141-E155 PolarHBondContact NH2-OE1 3.07Å; R141-E155 IonicContact NH2-OE2 3.46Å
142A97.6Very high96.4Very high0 Ų060 Ų600%032%0.32CS..EExtended strand (participates in β ladder)trans-82.3143.1168.100000109H70 V124 Y128 Y153 V154H70-A142 WeakPolarHBondContact CE1-CB 3.45Å; H70-A142 WeakPolarHBondContact NE2-CB 3.15Å; V124-A142 HydrophobicContact CG2-CB 3.45Å; V124-A142 VanDerWaalsContact CG2-CB 3.45Å; Y128-A142 HydrophobicContact CE2-CB 3.6Å; Y128-A142 PolarHBondContact OH-N 2.65Å; A142-Y153 VanDerWaalsContact O-CA 3.27Å; A142-Y153 WeakPolarHBondContact O-CA 3.47Å; A142-V154 HydrophobicContact CB-CB 4.12Å; A142-V154 PolarHBondContact N-O 3.25Å; A142-V154 PolarHBondContact O-N 2.7Å
143V97.6Very high96.4Very high42 Ų4259.3 Ų59.326%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-128.4113.2174.7-1730000107R141 T151 Y153R141-V143 HydrophobicContact CG-CG2 4.22Å; V143-T151 HydrophobicContact CG1-CG2 3.43Å; V143-T151 VanDerWaalsContact CG1-CG2 3.43Å; V143-Y153 HydrophobicContact CB-CD1 4.49Å; V143-Y153 HydrophobicContact CG1-CD1 4.16Å; V143-Y153 HydrophobicContact CG1-CE1 3.82Å; V143-Y153 HydrophobicContact CG2-CD1 3.93Å; V143-Y153 HydrophobicContact CG2-CE1 4.13Å
144I98.3Very high96.4Very high0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-120.6114.7-177-50-60.3000109.2F63 E66 L67 V124 Y146 T151 M152F63-I144 HydrophobicContact CD2-CG2 3.93Å; F63-I144 HydrophobicContact CG-CG2 4.44Å; E66-I144 HydrophobicContact CB-CD1 3.83Å; E66-I144 WeakPolarHBondContact OE2-CA 3.43Å; L67-I144 HydrophobicContact CD2-CD1 4.04Å; L67-I144 HydrophobicContact CD2-CG1 4.32Å; L67-I144 HydrophobicContact CD2-CG2 3.99Å; V124-I144 HydrophobicContact CG2-CD1 4.46Å; V124-I144 HydrophobicContact CG2-CG1 4.43Å; I144-Y146 VanDerWaalsContact C-N 3.26Å; I144-Y146 PolarHBondContact O-N 3.04Å; I144-T151 WeakPolarHBondContact O-CA 3.34Å; I144-M152 HydrophobicContact CB-CB 4.47Å; I144-M152 HydrophobicContact CB-CE 4.13Å; I144-M152 HydrophobicContact CG1-CE 4.01Å; I144-M152 PolarHBondContact N-O 2.86Å; I144-M152 PolarHBondContact O-N 3.37Å
145H98.1Very high96.4Very high67 Ų6750.4 Ų50.431%0.3128%0.275SS..EExtended strand (participates in β ladder)trans-83.269.7176.9-60.293.2000110F63 E66 R147 T151F63-H145 WeakPolarHBondContact CB-O 3.43Å; F63-H145 VanDerWaalsContact CD1-O 3.22Å; F63-H145 WeakPolarHBondContact CD1-O 3.37Å; F63-H145 WeakPolarHBondContact CG-O 3.17Å; E66-H145 IonicContact OE1-CE1 3.55Å; E66-H145 IonicContact OE1-CG 3.47Å; E66-H145 IonicContact OE1-ND1 2.73Å; E66-H145 PolarHBondContact OE1-ND1 2.89Å; E66-H145 IonicContact OE2-CG 3.79Å; E66-H145 PolarHBondContact OE2-N 2.85Å; E66-H145 IonicContact OE2-ND1 3.03Å; E66-H145 PolarHBondContact OE2-ND1 2.65Å; H145-R147 PolarHBondContact O-N 3.28Å; H145-R147 VanDerWaalsContact O-N 3.11Å; H145-T151 PolarHBondContact CD2-OG1 3.17Å
146Y97.6Very high96.6Very high5 Ų548.7 Ų48.72%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-64.6-15.9-174.966.8-84.2000113.1F63 I144 E150 T151 M152 F165 S166 R248F63-Y146 WeakPolarHBondContact CE1-O 3.36Å; I144-Y146 VanDerWaalsContact C-N 3.26Å; I144-Y146 PolarHBondContact O-N 3.04Å; Y146-E150 HydrophobicContact CE1-CB 4Å; Y146-E150 HydrophobicContact CE2-CB 3.95Å; Y146-E150 PolarHBondContact N-O 2.92Å; Y146-E150 PolarHBondContact OH-OE2 2.93Å; Y146-E150 VanDerWaalsContact OH-OE2 3.04Å; Y146-T151 VanDerWaalsContact CE1-C 3.41Å; Y146-M152 HydrophobicContact CD1-CB 3.65Å; Y146-M152 HydrophobicContact CE1-CB 3.83Å; Y146-F165 HydrophobicContact CE1-CD1 4.06Å; Y146-S166 PolarHBondContact OH-O 3.36Å; Y146-R248 HydrophobicContact CE2-CB 4.22Å; Y146-R248 HydrophobicContact CE2-CG 3.81Å
147R97.4Very high96.6Very high77 Ų7747.2 Ų47.229%0.29125%0.25SC..EExtended strand (participates in β ladder)trans-138.9167.2164.5-55.6177.260.179.211.7109.7D39 H145 D149 E150 R248D39-R147 HydrophobicContact CB-CG 4.36Å; D39-R147 IonicContact OD1-NH1 3.09Å; H145-R147 PolarHBondContact O-N 3.28Å; H145-R147 VanDerWaalsContact O-N 3.11Å; R147-D149 PolarHBondContact O-N 3.36Å; R147-D149 VanDerWaalsContact O-N 3.07Å; R147-E150 HydrophobicContact CB-CB 3.98Å; R147-E150 HydrophobicContact CB-CG 4.31Å; R147-E150 WeakPolarHBondContact CD-OE1 3.05Å; R147-E150 HydrophobicContact CG-CB 4.45Å; R147-E150 PolarHBondContact N-O 3.11Å; R147-E150 IonicContact NE-OE1 3.98Å; R147-E150 PolarHBondContact O-N 2.91Å; R147-E150 VanDerWaalsContact O-O 3.07Å; R147-R248 VanDerWaalsContact CD-CZ 3.46Å; R147-R248 VanDerWaalsContact NE-NH2 3.19Å
148D94.8Very high96.7Very high131 Ų13149.1 Ų49.170%0.70126%0.256SS*.THydrogen-bonded Turntrans-56.8-28.6-176-61.9-23000113.6K62K62-D148 WeakPolarHBondContact CD-OD1 3.36Å; K62-D148 IonicContact NZ-OD1 3.65Å; K62-D148 PolarHBondContact NZ-OD1 3.35Å; K62-D148 IonicContact NZ-OD2 3.37Å; K62-D148 PolarHBondContact NZ-OD2 3.46Å
149D95.8Very high96.9Very high62 Ų6249 Ų4933%0.33224%0.237SC..THydrogen-bonded Turntrans-13015.6-17863.5-29.9000113.6R147 V168 K170R147-D149 PolarHBondContact O-N 3.36Å; R147-D149 VanDerWaalsContact O-N 3.07Å; D149-V168 HydrophobicContact CB-CG2 4.4Å; D149-V168 WeakPolarHBondContact O-CG2 3.39Å; D149-K170 WeakPolarHBondContact OD2-CE 3.42Å; D149-K170 IonicContact OD2-NZ 3.65Å; D149-K170 PolarHBondContact OD2-NZ 3.24Å
150E97.6Very high96.9Very high2 Ų248.3 Ų48.31%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-131.8139179.1-58.3-176.6-143.700110.7Y146 R147 S166 T167 V168 R248Y146-E150 HydrophobicContact CE1-CB 4Å; Y146-E150 HydrophobicContact CE2-CB 3.95Å; Y146-E150 PolarHBondContact N-O 2.92Å; Y146-E150 PolarHBondContact OH-OE2 2.93Å; Y146-E150 VanDerWaalsContact OH-OE2 3.04Å; R147-E150 HydrophobicContact CB-CB 3.98Å; R147-E150 HydrophobicContact CB-CG 4.31Å; R147-E150 WeakPolarHBondContact CD-OE1 3.05Å; R147-E150 HydrophobicContact CG-CB 4.45Å; R147-E150 PolarHBondContact N-O 3.11Å; R147-E150 IonicContact NE-OE1 3.98Å; R147-E150 PolarHBondContact O-N 2.91Å; R147-E150 VanDerWaalsContact O-O 3.07Å; E150-S166 WeakPolarHBondContact CA-O 3.18Å; E150-S166 WeakPolarHBondContact CB-O 3.16Å; E150-T167 WeakPolarHBondContact OE2-CA 3.33Å; E150-T167 WeakPolarHBondContact OE2-CB 3.5Å; E150-T167 PolarHBondContact OE2-OG1 3.38Å; E150-V168 HydrophobicContact CG-CB 4.2Å; E150-V168 HydrophobicContact CG-CG2 4.07Å; E150-R248 IonicContact OE1-CZ 2.57Å; E150-R248 IonicContact OE1-NE 3.9Å; E150-R248 PolarHBondContact OE1-NE 2.92Å; E150-R248 IonicContact OE1-NH2 3.52Å; E150-R248 PolarHBondContact OE1-NH2 3.3Å; E150-R248 IonicContact OE2-CZ 3.49Å; E150-R248 IonicContact OE2-NE 2.73Å; E150-R248 PolarHBondContact OE2-NE 3.35Å; E150-R248 IonicContact OE2-NH2 3.94Å
151T97.9Very high97.1Very high17 Ų1741.7 Ų41.710%0.10420%0.196CC..EExtended strand (participates in β ladder)trans-131.7137.3-171.7-510000110.9V143 I144 H145 Y146 Y153 S166V143-T151 HydrophobicContact CG1-CG2 3.43Å; V143-T151 VanDerWaalsContact CG1-CG2 3.43Å; I144-T151 WeakPolarHBondContact O-CA 3.34Å; H145-T151 PolarHBondContact CD2-OG1 3.17Å; Y146-T151 VanDerWaalsContact CE1-C 3.41Å; T151-Y153 HydrophobicContact CG2-CD2 4.37Å; T151-Y153 HydrophobicContact CG2-CE1 3.96Å; T151-Y153 HydrophobicContact CG2-CE2 3.75Å; T151-S166 PolarHBondContact N-O 2.69Å; T151-S166 VanDerWaalsContact N-O 3.17Å; T151-S166 WeakPolarHBondContact O-CB 3.48Å; T151-S166 PolarHBondContact O-N 2.75Å
152M98.3Very high97.2Very high2 Ų238.9 Ų38.91%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-109.3130174.1-177.9-177.669.400109.3F121 V124 F125 I144 Y146 V154 V163 V164 F165F121-M152 HydrophobicContact CD1-CE 4.49Å; V124-M152 HydrophobicContact CG1-CE 4.07Å; F125-M152 HydrophobicContact CE1-CE 4.19Å; F125-M152 HydrophobicContact CE1-SD 3.98Å; F125-M152 HydrophobicContact CE2-CE 4.33Å; F125-M152 HydrophobicContact CZ-CE 3.68Å; F125-M152 HydrophobicContact CZ-SD 3.55Å; F125-M152 VanDerWaalsContact CZ-SD 3.55Å; I144-M152 HydrophobicContact CB-CB 4.47Å; I144-M152 HydrophobicContact CB-CE 4.13Å; I144-M152 HydrophobicContact CG1-CE 4.01Å; I144-M152 PolarHBondContact N-O 2.86Å; I144-M152 PolarHBondContact O-N 3.37Å; Y146-M152 HydrophobicContact CD1-CB 3.65Å; Y146-M152 HydrophobicContact CE1-CB 3.83Å; M152-V154 HydrophobicContact CE-CG2 4.03Å; M152-V154 HydrophobicContact CG-CG2 4.35Å; M152-V154 HydrophobicContact SD-CG2 4.44Å; M152-V163 HydrophobicContact CG-CG1 4.06Å; M152-V163 HydrophobicContact SD-CG1 4.08Å; M152-V164 CarbonylContact C-O 3.55Å; M152-V164 WeakPolarHBondContact CA-O 3.41Å; M152-F165 HydrophobicContact CB-CD1 4.25Å; M152-F165 HydrophobicContact CB-CE1 4.28Å; M152-F165 HydrophobicContact CG-CD1 4.09Å; M152-F165 HydrophobicContact CG-CE1 3.84Å; M152-F165 HydrophobicContact CG-CZ 4.27Å; M152-F165 HydrophobicContact SD-CD1 4.39Å; M152-F165 HydrophobicContact SD-CE1 3.55Å; M152-F165 VanDerWaalsContact SD-CE1 3.55Å; M152-F165 HydrophobicContact SD-CZ 3.75Å
153Y98.2Very high97.2Very high5 Ų538.9 Ų38.92%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-112130.4177-51.8-96.5000109.5A142 V143 T151 V163 V164 L209 Y222A142-Y153 VanDerWaalsContact O-CA 3.27Å; A142-Y153 WeakPolarHBondContact O-CA 3.47Å; V143-Y153 HydrophobicContact CB-CD1 4.49Å; V143-Y153 HydrophobicContact CG1-CD1 4.16Å; V143-Y153 HydrophobicContact CG1-CE1 3.82Å; V143-Y153 HydrophobicContact CG2-CD1 3.93Å; V143-Y153 HydrophobicContact CG2-CE1 4.13Å; T151-Y153 HydrophobicContact CG2-CD2 4.37Å; T151-Y153 HydrophobicContact CG2-CE1 3.96Å; T151-Y153 HydrophobicContact CG2-CE2 3.75Å; Y153-V163 CarbonylContact O-C 3.48Å; Y153-V163 WeakPolarHBondContact O-CA 3.35Å; Y153-V164 HydrophobicContact CD2-CB 4.3Å; Y153-V164 PolarHBondContact N-O 3.49Å; Y153-V164 PolarHBondContact O-N 3.47Å; Y153-L209 HydrophobicContact CD1-CD1 4.24Å; Y153-L209 HydrophobicContact CD1-CD2 3.7Å; Y153-L209 HydrophobicContact CD2-CD1 3.48Å; Y153-L209 VanDerWaalsContact CD2-CD1 3.48Å; Y153-L209 HydrophobicContact CD2-CD2 4.39Å; Y153-L209 HydrophobicContact CE1-CD1 4.49Å; Y153-L209 HydrophobicContact CE1-CD2 4.25Å; Y153-L209 HydrophobicContact CE2-CD1 3.77Å; Y153-L209 HydrophobicContact CG-CD1 3.75Å; Y153-L209 HydrophobicContact CG-CD2 3.78Å; Y153-L209 HydrophobicContact CG-CG 4.45Å; Y153-Y222 HydrophobicContact CE2-CE1 4.43Å
154V98.3Very high97.3Very high0 Ų037.2 Ų37.20%018%0.176CC..EExtended strand (participates in β ladder)trans-122.2126.7176-170.10000108.9V124 F125 Y128 R141 A142 M152 V161 V163V124-V154 HydrophobicContact CG2-CB 4.46Å; V124-V154 HydrophobicContact CG2-CG2 4.26Å; F125-V154 HydrophobicContact CE1-CG2 4.22Å; Y128-V154 HydrophobicContact CD1-CG1 4.07Å; Y128-V154 HydrophobicContact CD2-CB 4.43Å; Y128-V154 HydrophobicContact CD2-CG1 4.04Å; Y128-V154 VanDerWaalsContact CE1-O 3.23Å; Y128-V154 WeakPolarHBondContact CE1-O 3.3Å; Y128-V154 HydrophobicContact CG-CB 4.34Å; Y128-V154 HydrophobicContact CG-CG1 3.64Å; R141-V154 CarbonylContact C-O 3.5Å; R141-V154 WeakPolarHBondContact CA-O 3.29Å; A142-V154 HydrophobicContact CB-CB 4.12Å; A142-V154 PolarHBondContact N-O 3.25Å; A142-V154 PolarHBondContact O-N 2.7Å; M152-V154 HydrophobicContact CE-CG2 4.03Å; M152-V154 HydrophobicContact CG-CG2 4.35Å; M152-V154 HydrophobicContact SD-CG2 4.44Å; V154-V161 HydrophobicContact CG1-CG1 4.16Å; V154-V163 HydrophobicContact CG1-CG2 4.35Å; V154-V163 HydrophobicContact CG2-CG1 4.49Å
155E97.1Very high97.3Very high34 Ų3437.5 Ų37.516%0.15918%0.177CC..EExtended strand (participates in β ladder)trans-138.5135.6-178.4-178.1176.5-147.700110.1R141 T162R141-E155 HydrophobicContact CB-CB 4.17Å; R141-E155 IonicContact CZ-OE1 3.64Å; R141-E155 IonicContact CZ-OE2 3.72Å; R141-E155 IonicContact NH1-OE1 2.99Å; R141-E155 PolarHBondContact NH1-OE1 3.43Å; R141-E155 IonicContact NH1-OE2 3.4Å; R141-E155 PolarHBondContact NH1-OE2 3.35Å; R141-E155 IonicContact NH2-OE1 2.72Å; R141-E155 PolarHBondContact NH2-OE1 3.07Å; R141-E155 IonicContact NH2-OE2 3.46Å; E155-T162 PolarHBondContact N-O 2.78Å; E155-T162 PolarHBondContact O-N 3.35Å; E155-T162 PolarHBondContact O-OG1 3.13Å
156S97.5Very high97.3Very high9 Ų934.5 Ų34.56%0.06316%0.163CC..EExtended strand (participates in β ladder)trans-96.5133175.4178.30000108.7Q132Q132-S156 WeakPolarHBondContact CA-OG 3.45Å; Q132-S156 WeakPolarHBondContact CB-OG 3.43Å; Q132-S156 PolarHBondContact N-OG 3.28Å; Q132-S156 VanDerWaalsContact N-OG 3.16Å
157K95.5Very high97.2Very high62 Ų6234.3 Ų34.327%0.2716%0.163SC..EExtended strand (participates in β ladder)trans-122.6170171.6-58.9-172.8-179.4-172.80108.4Q132 D159 R160 E208Q132-K157 WeakPolarHBondContact CG-O 3.39Å; K157-D159 VanDerWaalsContact C-N 3.33Å; K157-D159 PolarHBondContact O-N 3.08Å; K157-R160 CarbonylContact C-O 3.56Å; K157-R160 WeakPolarHBondContact CA-O 3.41Å; K157-R160 HydrophobicContact CB-CG 3.94Å; K157-R160 WeakPolarHBondContact CB-O 3.43Å; K157-R160 HydrophobicContact CD-CG 4.4Å; K157-R160 PolarHBondContact N-O 2.75Å; K157-R160 PolarHBondContact O-N 3.15Å; K157-E208 IonicContact NZ-OE1 3.38Å; K157-E208 PolarHBondContact NZ-OE1 3.47Å
158K94.5Very high97.2Very high148 Ų14831.5 Ų31.564%0.64315%0.154SC*.THydrogen-bonded Turntrans-46.3-50.4-177.9-172.5169.1-174.5167.10114.9Q132 E137Q132-K158 PolarHBondContact NE2-O 2.92Å; E137-K158 HydrophobicContact CG-CB 4.29Å; E137-K158 WeakPolarHBondContact OE1-CB 3.4Å; E137-K158 WeakPolarHBondContact OE1-CD 3.17Å; E137-K158 VanDerWaalsContact OE1-CG 3.25Å; E137-K158 WeakPolarHBondContact OE1-CG 3.44Å
159D95.6Very high97.3Very high76 Ų7625.4 Ų25.441%0.40612%0.121SC..THydrogen-bonded Turntrans-112.90.3-169.870.1-35.9000113.8K157 P229K157-D159 VanDerWaalsContact C-N 3.33Å; K157-D159 PolarHBondContact O-N 3.08Å; D159-P229 WeakPolarHBondContact O-CD 3.35Å
160R97.1Very high97.2Very high69 Ų6930 Ų3026%0.2614%0.139SC..EExtended strand (participates in β ladder)trans-161156.3-169.665.7-168.365.4-155.5-0.6112K157 V226 L227 F228K157-R160 CarbonylContact C-O 3.56Å; K157-R160 WeakPolarHBondContact CA-O 3.41Å; K157-R160 HydrophobicContact CB-CG 3.94Å; K157-R160 WeakPolarHBondContact CB-O 3.43Å; K157-R160 HydrophobicContact CD-CG 4.4Å; K157-R160 PolarHBondContact N-O 2.75Å; K157-R160 PolarHBondContact O-N 3.15Å; R160-V226 HydrophobicContact CB-CG1 3.9Å; R160-V226 HydrophobicContact CG-CG1 4.19Å; R160-L227 CarbonylContact C-O 3.46Å; R160-L227 WeakPolarHBondContact CA-O 3.28Å; R160-L227 WeakPolarHBondContact CB-O 3.43Å; R160-F228 HydrophobicContact CB-CD1 4.22Å; R160-F228 HydrophobicContact CB-CE1 4.3Å
161V98.4Very high97.1Very high0 Ų033 Ų330%016%0.155CC..EExtended strand (participates in β ladder)trans-109.5132.3164.8179.60000108.3F129 Q132 V154 L227 T232F129-V161 HydrophobicContact CD1-CB 4.23Å; F129-V161 HydrophobicContact CD1-CG1 4Å; F129-V161 HydrophobicContact CD1-CG2 3.99Å; F129-V161 HydrophobicContact CE1-CB 4.34Å; F129-V161 HydrophobicContact CE1-CG1 3.98Å; Q132-V161 HydrophobicContact CB-CG2 3.57Å; Q132-V161 HydrophobicContact CG-CG2 3.93Å; V154-V161 HydrophobicContact CG1-CG1 4.16Å; V161-L227 HydrophobicContact CB-CB 4.43Å; V161-L227 PolarHBondContact N-O 3Å; V161-L227 PolarHBondContact O-N 3.28Å; V161-T232 HydrophobicContact CB-CG2 4.2Å; V161-T232 HydrophobicContact CG2-CG2 4.01Å
162T98.1Very high97Very high8 Ų837.3 Ų37.35%0.04918%0.177CC..EExtended strand (participates in β ladder)trans-106128176.449.80000110.5E155 F225 V226E155-T162 PolarHBondContact N-O 2.78Å; E155-T162 PolarHBondContact O-N 3.35Å; E155-T162 PolarHBondContact O-OG1 3.13Å; T162-F225 WeakPolarHBondContact CA-O 3.43Å; T162-V226 HydrophobicContact CG2-CG2 4.34Å
163V98.5Very high96.9Very high0 Ų042.3 Ų42.30%020%0.204CC..EExtended strand (participates in β ladder)trans-115.8117.4172.4-176.90000107.6F125 M152 Y153 V154 F165 T224 F225 L227 I244F125-V163 HydrophobicContact CD1-CG2 4.36Å; F125-V163 HydrophobicContact CE1-CG1 4.11Å; F125-V163 HydrophobicContact CE1-CG2 4.09Å; M152-V163 HydrophobicContact CG-CG1 4.06Å; M152-V163 HydrophobicContact SD-CG1 4.08Å; Y153-V163 CarbonylContact O-C 3.48Å; Y153-V163 WeakPolarHBondContact O-CA 3.35Å; V154-V163 HydrophobicContact CG1-CG2 4.35Å; V154-V163 HydrophobicContact CG2-CG1 4.49Å; V163-F165 HydrophobicContact CG1-CD2 4.25Å; V163-F165 HydrophobicContact CG1-CE2 3.62Å; V163-F165 HydrophobicContact CG1-CZ 3.93Å; V163-T224 WeakPolarHBondContact O-CA 3.37Å; V163-F225 HydrophobicContact CB-CB 4.43Å; V163-F225 PolarHBondContact N-O 3.16Å; V163-F225 PolarHBondContact O-N 2.73Å; V163-L227 HydrophobicContact CG2-CD1 4.04Å; V163-I244 HydrophobicContact CB-CG1 4.36Å; V163-I244 HydrophobicContact CG1-CG1 4.11Å; V163-I244 HydrophobicContact CG2-CG1 4.43Å
164V98.4Very high96.8Very high8 Ų842.5 Ų42.55%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-111.4122.9179.5-170.50000109.3M152 Y153 P206 L209 Y222 I223 T224M152-V164 CarbonylContact C-O 3.55Å; M152-V164 WeakPolarHBondContact CA-O 3.41Å; Y153-V164 HydrophobicContact CD2-CB 4.3Å; Y153-V164 PolarHBondContact N-O 3.49Å; Y153-V164 PolarHBondContact O-N 3.47Å; V164-P206 HydrophobicContact CG1-CG 4.28Å; V164-L209 HydrophobicContact CB-CD1 4.11Å; V164-L209 HydrophobicContact CG1-CD1 3.8Å; V164-L209 HydrophobicContact CG2-CD1 4.39Å; V164-Y222 HydrophobicContact CG1-CD1 3.98Å; V164-I223 CarbonylContact C-O 3.56Å; V164-I223 WeakPolarHBondContact CA-O 3.5Å; V164-T224 HydrophobicContact CG2-CG2 3.95Å
165F98.4Very high96.8Very high6 Ų643 Ų433%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-98.7119.9169.4-66.8-86.1000109.1Y146 M152 V163 Y222 I223 F225 I244 F247Y146-F165 HydrophobicContact CE1-CD1 4.06Å; M152-F165 HydrophobicContact CB-CD1 4.25Å; M152-F165 HydrophobicContact CB-CE1 4.28Å; M152-F165 HydrophobicContact CG-CD1 4.09Å; M152-F165 HydrophobicContact CG-CE1 3.84Å; M152-F165 HydrophobicContact CG-CZ 4.27Å; M152-F165 HydrophobicContact SD-CD1 4.39Å; M152-F165 HydrophobicContact SD-CE1 3.55Å; M152-F165 VanDerWaalsContact SD-CE1 3.55Å; M152-F165 HydrophobicContact SD-CZ 3.75Å; V163-F165 HydrophobicContact CG1-CD2 4.25Å; V163-F165 HydrophobicContact CG1-CE2 3.62Å; V163-F165 HydrophobicContact CG1-CZ 3.93Å; F165-Y222 CarbonylContact O-C 3.59Å; F165-Y222 WeakPolarHBondContact O-CA 3.37Å; F165-I223 PolarHBondContact N-O 3.21Å; F165-I223 PolarHBondContact O-N 2.72Å; F165-F225 HydrophobicContact CD2-CD2 4.39Å; F165-F225 HydrophobicContact CE2-CD2 4.41Å; F165-I244 HydrophobicContact CE2-CD1 3.94Å; F165-I244 HydrophobicContact CE2-CG1 4.04Å; F165-I244 HydrophobicContact CZ-CG1 4.25Å; F165-I244 VanDerWaalsContact CZ-O 3.26Å; F165-I244 WeakPolarHBondContact CZ-O 3.39Å; F165-F247 AromaticContact CD2-CD1 3.88Å; F165-F247 HydrophobicContact CD2-CD1 3.88Å; F165-F247 HydrophobicContact CD2-CE1 4.48Å; F165-F247 HydrophobicContact CE2-CB 4.47Å; F165-F247 HydrophobicContact CE2-CD1 4.11Å; F165-F247 HydrophobicContact CG-CD1 4.38Å
166S97.8Very high96.8Very high3 Ų345.7 Ų45.72%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-89.1111.5159-1720000107.4Y146 E150 T151 Y222Y146-S166 PolarHBondContact OH-O 3.36Å; E150-S166 WeakPolarHBondContact CA-O 3.18Å; E150-S166 WeakPolarHBondContact CB-O 3.16Å; T151-S166 PolarHBondContact N-O 2.69Å; T151-S166 VanDerWaalsContact N-O 3.17Å; T151-S166 WeakPolarHBondContact O-CB 3.48Å; T151-S166 PolarHBondContact O-N 2.75Å; S166-Y222 VanDerWaalsContact CB-CE1 3.48Å; S166-Y222 WeakPolarHBondContact OG-CE1 3.32Å; S166-Y222 PolarHBondContact OG-OH 2.67Å
167T96.8Very high96.8Very high2 Ų247.3 Ų47.31%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-120.4148.6-179.4-166.60000110.8E150 F169 G221 I223 H252E150-T167 WeakPolarHBondContact OE2-CA 3.33Å; E150-T167 WeakPolarHBondContact OE2-CB 3.5Å; E150-T167 PolarHBondContact OE2-OG1 3.38Å; T167-F169 HydrophobicContact CG2-CE2 3.84Å; T167-F169 HydrophobicContact CG2-CZ 3.87Å; T167-G221 PolarHBondContact N-O 3.02Å; T167-G221 PolarHBondContact O-N 3.43Å; T167-I223 HydrophobicContact CG2-CD1 3.49Å; T167-I223 VanDerWaalsContact CG2-CD1 3.49Å; T167-H252 PolarHBondContact OG1-NE2 3Å; T167-H252 VanDerWaalsContact OG1-NE2 3.09Å
168V96.9Very high96.8Very high17 Ų1744.3 Ų44.310%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-108.8128.4-178.4178.10000109.8D149 E150 K170 I220 H252D149-V168 HydrophobicContact CB-CG2 4.4Å; D149-V168 WeakPolarHBondContact O-CG2 3.39Å; E150-V168 HydrophobicContact CG-CB 4.2Å; E150-V168 HydrophobicContact CG-CG2 4.07Å; V168-K170 HydrophobicContact CG1-CD 4.12Å; V168-I220 HydrophobicContact CG2-CG1 4.35Å; V168-H252 PolarHBondContact O-CE1 3.22Å
169F96.3Very high96.9Very high3 Ų341 Ų411%0.01321%0.207CC..  trans-97.3103.7172.3-59.8-85.4000109.2T167 D171 D174 V175 N219 L251 I255T167-F169 HydrophobicContact CG2-CE2 3.84Å; T167-F169 HydrophobicContact CG2-CZ 3.87Å; F169-D171 PolarHBondContact O-N 2.56Å; F169-D174 HydrophobicContact CB-CB 4.4Å; F169-D174 HydrophobicContact CD1-CB 4.21Å; F169-V175 HydrophobicContact CB-CB 4.45Å; F169-V175 HydrophobicContact CB-CG2 3.52Å; F169-V175 HydrophobicContact CD2-CG2 4.35Å; F169-V175 HydrophobicContact CG-CG2 4.14Å; F169-N219 PolarHBondContact N-O 2.86Å; F169-N219 WeakPolarHBondContact O-CB 3.32Å; F169-N219 PolarHBondContact O-ND2 2.96Å; F169-L251 HydrophobicContact CE1-CD2 4.4Å; F169-L251 HydrophobicContact CZ-CD2 4.2Å; F169-I255 HydrophobicContact CD1-CD1 4.21Å; F169-I255 HydrophobicContact CE1-CD1 3.7Å
170K93.9Very high97Very high160 Ų16041.9 Ų41.970%0.69621%0.214SC*.SBendtrans-66.5-25.8-176.3-64.6-64.7180-178.10114.3D149 V168D149-K170 WeakPolarHBondContact OD2-CE 3.42Å; D149-K170 IonicContact OD2-NZ 3.65Å; D149-K170 PolarHBondContact OD2-NZ 3.24Å; V168-K170 HydrophobicContact CG1-CD 4.12Å
171D95.3Very high97.1Very high65 Ų6541 Ų4135%0.34821%0.213SC..SBendtrans-107130.8179.5-176.2-13.3000108.3F169 D173 D174 V175 K259F169-D171 PolarHBondContact O-N 2.56Å; D171-D173 PolarHBondContact O-N 3.23Å; D171-D173 PolarHBondContact OD1-N 3.18Å; D171-D174 HydrophobicContact CB-CB 4.03Å; D171-D174 WeakPolarHBondContact O-CA 3.35Å; D171-D174 WeakPolarHBondContact O-CB 3.36Å; D171-D174 PolarHBondContact O-N 2.9Å; D171-V175 PolarHBondContact O-N 2.83Å; D171-K259 IonicContact OD2-NZ 2.65Å; D171-K259 PolarHBondContact OD2-NZ 3.29Å
172D95.4Very high97Very high107 Ų10741 Ų4157%0.57221%0.213SC*.Hα-helixtrans-62-33.2-179.5-68.2-14.5000111.3D174 V175 V176 N219D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.39Å; D172-V175 WeakPolarHBondContact O-CB 3.21Å; D172-V175 PolarHBondContact O-N 3.04Å; D172-V176 PolarHBondContact O-N 3.23Å; D172-N219 PolarHBondContact OD1-ND2 3.33Å
173D96.6Very high96.9Very high106 Ų10644.8 Ų44.857%0.56723%0.23SC*.Hα-helixtrans-67.8-32.7175.1-74.6-15000111.3D171 V175 V176 I177D171-D173 PolarHBondContact O-N 3.23Å; D171-D173 PolarHBondContact OD1-N 3.18Å; D173-V175 VanDerWaalsContact C-N 3.27Å; D173-V175 PolarHBondContact O-N 3.46Å; D173-V176 PolarHBondContact O-N 3.46Å; D173-I177 WeakPolarHBondContact O-CG1 3.31Å; D173-I177 PolarHBondContact O-N 2.83Å
174D97.2Very high96.9Very high10 Ų1050.8 Ų50.85%0.05326%0.258CS..Hα-helixtrans-67.9-28.6176.6-74.8-6.5000111.4F169 D171 D172 G178 I255 K259F169-D174 HydrophobicContact CB-CB 4.4Å; F169-D174 HydrophobicContact CD1-CB 4.21Å; D171-D174 HydrophobicContact CB-CB 4.03Å; D171-D174 WeakPolarHBondContact O-CA 3.35Å; D171-D174 WeakPolarHBondContact O-CB 3.36Å; D171-D174 PolarHBondContact O-N 2.9Å; D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.39Å; D174-G178 WeakPolarHBondContact O-CA 3.1Å; D174-G178 PolarHBondContact O-N 3.06Å; D174-I255 HydrophobicContact CB-CG2 4.01Å; D174-I255 WeakPolarHBondContact OD1-CG2 3.41Å; D174-K259 WeakPolarHBondContact OD1-CE 3.14Å; D174-K259 IonicContact OD1-NZ 2.85Å; D174-K259 PolarHBondContact OD1-NZ 3.1Å; D174-K259 IonicContact OD2-NZ 3.34Å; D174-K259 PolarHBondContact OD2-NZ 3.02Å
175V96.4Very high96.8Very high11 Ų1153.2 Ų53.27%0.06727%0.268CS..Hα-helixtrans-61.8-46.3171.3179.70000110F169 D171 D172 D173 K179F169-V175 HydrophobicContact CB-CB 4.45Å; F169-V175 HydrophobicContact CB-CG2 3.52Å; F169-V175 HydrophobicContact CD2-CG2 4.35Å; F169-V175 HydrophobicContact CG-CG2 4.14Å; D171-V175 PolarHBondContact O-N 2.83Å; D172-V175 WeakPolarHBondContact O-CB 3.21Å; D172-V175 PolarHBondContact O-N 3.04Å; D173-V175 VanDerWaalsContact C-N 3.27Å; D173-V175 PolarHBondContact O-N 3.46Å; V175-K179 HydrophobicContact CG1-CD 4.31Å; V175-K179 VanDerWaalsContact O-CG 3.27Å; V175-K179 WeakPolarHBondContact O-CG 3.26Å; V175-K179 PolarHBondContact O-N 2.72Å
176V97Very high96.6Very high90 Ų9058.4 Ų58.455%0.54529%0.29SS..Hα-helixtrans-67.8-46.9-177.6-1790000110.7D172 D173 K179 V180D172-V176 PolarHBondContact O-N 3.23Å; D173-V176 PolarHBondContact O-N 3.46Å; V176-K179 PolarHBondContact O-N 3.32Å; V176-V180 PolarHBondContact O-N 2.88Å
177I97.6Very high96.5Very high42 Ų4261 Ų6122%0.21530%0.303CS..Hα-helixtrans-63.8-44.6177.1-62.3169000110.1D173 K179 V180 F181 I255 K259D173-I177 WeakPolarHBondContact O-CG1 3.31Å; D173-I177 PolarHBondContact O-N 2.83Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 2.85Å; I177-V180 WeakPolarHBondContact O-CB 3.34Å; I177-V180 PolarHBondContact O-N 2.85Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE2 3.79Å; I177-F181 WeakPolarHBondContact O-CD2 3.33Å; I177-F181 PolarHBondContact O-N 2.82Å; I177-I255 HydrophobicContact CB-CG2 4.32Å; I177-I255 HydrophobicContact CG2-CB 4.43Å; I177-I255 HydrophobicContact CG2-CG1 4.16Å; I177-I255 HydrophobicContact CG2-CG2 4.08Å; I177-K259 HydrophobicContact CD1-CD 3.93Å; I177-K259 HydrophobicContact CD1-CG 3.59Å
178G96.8Very high96.4Very high0 Ų062.4 Ų62.40%032%0.317CS..Hα-helixtrans-57.4-42.3177.800000112.5D174 V180 F181 M182D174-G178 WeakPolarHBondContact O-CA 3.1Å; D174-G178 PolarHBondContact O-N 3.06Å; G178-V180 VanDerWaalsContact C-N 3.29Å; G178-V180 PolarHBondContact O-N 3.3Å; G178-F181 PolarHBondContact O-N 3.01Å; G178-M182 WeakPolarHBondContact O-CB 3.4Å; G178-M182 WeakPolarHBondContact O-CG 3.39Å; G178-M182 PolarHBondContact O-N 3.33Å
179K97Very high96.2Very high79 Ų7966.9 Ų66.934%0.34333%0.332SS..Hα-helixtrans-57.3-39.5173.9-78.1169.7179.7172.20112.8V175 V176 I177 M182 Q183 F200 H202V175-K179 HydrophobicContact CG1-CD 4.31Å; V175-K179 VanDerWaalsContact O-CG 3.27Å; V175-K179 WeakPolarHBondContact O-CG 3.26Å; V175-K179 PolarHBondContact O-N 2.72Å; V176-K179 PolarHBondContact O-N 3.32Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 2.85Å; K179-M182 PolarHBondContact O-N 2.93Å; K179-Q183 PolarHBondContact O-N 2.96Å; K179-F200 HydrophobicContact CG-CE1 3.94Å; K179-F200 HydrophobicContact CG-CZ 4.16Å; K179-H202 WeakPolarHBondContact CE-CD2 3.3Å; K179-H202 VanDerWaalsContact CE-CE1 3.49Å; K179-H202 WeakPolarHBondContact CE-CE1 3.49Å; K179-H202 VanDerWaalsContact CE-CG 3.48Å; K179-H202 VanDerWaalsContact CE-NE2 3.3Å; K179-H202 WeakPolarHBondContact CE-NE2 3.33Å; K179-H202 PolarHBondContact NZ-CD2 3.26Å; K179-H202 PolarHBondContact NZ-CE1 3.48Å; K179-H202 PolarHBondContact NZ-NE2 3.3Å
180V97.9Very high96.2Very high93 Ų9376.4 Ų76.456%0.56437%0.368SS*.Hα-helixtrans-63.9-48.3176.9177.90000110.6V176 I177 G178 M182 Q183 E184V176-V180 PolarHBondContact O-N 2.88Å; I177-V180 WeakPolarHBondContact O-CB 3.34Å; I177-V180 PolarHBondContact O-N 2.85Å; G178-V180 VanDerWaalsContact C-N 3.29Å; G178-V180 PolarHBondContact O-N 3.3Å; V180-M182 VanDerWaalsContact C-N 3.26Å; V180-M182 PolarHBondContact O-N 2.95Å; V180-Q183 PolarHBondContact O-N 3.16Å; V180-E184 PolarHBondContact O-N 2.83Å
181F97.8Very high96.3Very high51 Ų5173 Ų7322%0.22437%0.37CS..Hα-helixtrans-57.5-42.1174-82.8-89.8000111.5I177 G178 Q183 E184 F185 L251 H254 I255I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE2 3.79Å; I177-F181 WeakPolarHBondContact O-CD2 3.33Å; I177-F181 PolarHBondContact O-N 2.82Å; G178-F181 PolarHBondContact O-N 3.01Å; F181-Q183 PolarHBondContact O-N 3.3Å; F181-E184 PolarHBondContact O-N 2.79Å; F181-F185 WeakPolarHBondContact O-CD2 3.4Å; F181-F185 PolarHBondContact O-N 2.92Å; F181-L251 HydrophobicContact CB-CD1 3.89Å; F181-L251 HydrophobicContact CG-CD1 4.36Å; F181-H254 HydrophobicContact CE1-CB 3.82Å; F181-H254 HydrophobicContact CZ-CB 3.96Å; F181-I255 HydrophobicContact CD2-CG1 4.21Å; F181-I255 HydrophobicContact CE2-CG1 4.35Å
182M96.8Very high96.2Very high1 Ų172.8 Ų72.81%0.00537%0.373CS..Hα-helixtrans-72.2-29.2-175.9-62.8-81.348.300113.9G178 K179 V180 F185 K186 V198 F200 I223 F247 L251G178-M182 WeakPolarHBondContact O-CB 3.4Å; G178-M182 WeakPolarHBondContact O-CG 3.39Å; G178-M182 PolarHBondContact O-N 3.33Å; K179-M182 PolarHBondContact O-N 2.93Å; V180-M182 VanDerWaalsContact C-N 3.26Å; V180-M182 PolarHBondContact O-N 2.95Å; M182-F185 HydrophobicContact CE-CB 3.41Å; M182-F185 VanDerWaalsContact CE-CB 3.41Å; M182-F185 HydrophobicContact CE-CD2 3.53Å; M182-F185 HydrophobicContact CE-CE2 4.44Å; M182-F185 HydrophobicContact CE-CG 3.61Å; M182-F185 PolarHBondContact O-N 2.83Å; M182-K186 WeakPolarHBondContact O-CB 3.32Å; M182-K186 PolarHBondContact O-N 3.17Å; M182-V198 HydrophobicContact CE-CG1 4.36Å; M182-F200 HydrophobicContact CB-CB 4.04Å; M182-F200 HydrophobicContact CB-CD1 3.95Å; M182-F200 HydrophobicContact CB-CD2 3.85Å; M182-F200 HydrophobicContact CB-CE1 4.38Å; M182-F200 HydrophobicContact CB-CE2 4.27Å; M182-F200 HydrophobicContact CB-CG 3.66Å; M182-F200 HydrophobicContact CG-CD2 3.79Å; M182-F200 HydrophobicContact CG-CE2 3.97Å; M182-F200 HydrophobicContact CG-CG 4.16Å; M182-F200 HydrophobicContact CG-CZ 4.49Å; M182-F200 HydrophobicContact SD-CD2 4.04Å; M182-I223 HydrophobicContact CE-CG1 4.49Å; M182-I223 HydrophobicContact CE-CG2 4.13Å; M182-I223 HydrophobicContact SD-CB 4.32Å; M182-I223 HydrophobicContact SD-CD1 4.32Å; M182-I223 HydrophobicContact SD-CG1 3.32Å; M182-I223 WeakPolarHBondContact SD-CG1 3.33Å; M182-I223 HydrophobicContact SD-CG2 3.99Å; M182-F247 HydrophobicContact CE-CZ 3.96Å; M182-F247 HydrophobicContact SD-CZ 4.2Å; M182-L251 HydrophobicContact SD-CD2 4.05Å
183Q96.3Very high96.2Very high87 Ų8775.5 Ų75.541%0.40738%0.382SS..Hα-helixtrans-62.2-44.9169-173.162.228.400111.2K179 V180 F181 F185 K186 E187K179-Q183 PolarHBondContact O-N 2.96Å; V180-Q183 PolarHBondContact O-N 3.16Å; F181-Q183 PolarHBondContact O-N 3.3Å; Q183-F185 PolarHBondContact O-N 3.48Å; Q183-K186 WeakPolarHBondContact O-CB 3.36Å; Q183-K186 PolarHBondContact O-N 3.2Å; Q183-E187 PolarHBondContact NE2-OE1 3.16Å; Q183-E187 PolarHBondContact O-N 3.34Å; Q183-E187 VanDerWaalsContact O-N 3.14Å
184E97.3Very high96.2Very high126 Ų12673.3 Ų73.359%0.58937%0.373SS*.Hα-helixtrans-64.2-40.8177.3-64.9-56.9130.500112.2V180 F181 K186 E187 G188V180-E184 PolarHBondContact O-N 2.83Å; F181-E184 PolarHBondContact O-N 2.79Å; E184-K186 PolarHBondContact O-N 3.06Å; E184-E187 CarbonylContact O-C 3.46Å; E184-E187 PolarHBondContact O-N 2.99Å; E184-G188 WeakPolarHBondContact O-CA 3.43Å; E184-G188 PolarHBondContact O-N 3Å
185F96.9Very high96.2Very high59 Ų5974.3 Ų74.326%0.25938%0.382SS..Hα-helixtrans-63.1-40.5174.4-91.2-78.5000112.7F181 M182 Q183 E187 G188 V198 F247 Y250F181-F185 WeakPolarHBondContact O-CD2 3.4Å; F181-F185 PolarHBondContact O-N 2.92Å; M182-F185 HydrophobicContact CE-CB 3.41Å; M182-F185 VanDerWaalsContact CE-CB 3.41Å; M182-F185 HydrophobicContact CE-CD2 3.53Å; M182-F185 HydrophobicContact CE-CE2 4.44Å; M182-F185 HydrophobicContact CE-CG 3.61Å; M182-F185 PolarHBondContact O-N 2.83Å; Q183-F185 PolarHBondContact O-N 3.48Å; F185-E187 PolarHBondContact O-N 3.25Å; F185-G188 PolarHBondContact O-N 2.89Å; F185-G188 VanDerWaalsContact O-N 3.07Å; F185-V198 HydrophobicContact CB-CB 4.42Å; F185-V198 HydrophobicContact CB-CG1 4.14Å; F185-V198 HydrophobicContact CD1-CG2 4.43Å; F185-F247 HydrophobicContact CE1-CE2 4.28Å; F185-F247 HydrophobicContact CE2-CE2 4.36Å; F185-F247 HydrophobicContact CZ-CE2 4.1Å; F185-Y250 HydrophobicContact CE2-CE1 4.22Å; F185-Y250 HydrophobicContact CZ-CD1 4.43Å; F185-Y250 AromaticContact CZ-CE1 3.8Å; F185-Y250 HydrophobicContact CZ-CE1 3.8Å
186K95.3Very high96.2Very high114 Ų11475.7 Ų75.750%0.49639%0.391SS..Hα-helixtrans-60.5-35.1176.3-174.2178.6179.4178.10111.8M182 Q183 E184M182-K186 WeakPolarHBondContact O-CB 3.32Å; M182-K186 PolarHBondContact O-N 3.17Å; Q183-K186 WeakPolarHBondContact O-CB 3.36Å; Q183-K186 PolarHBondContact O-N 3.2Å; E184-K186 PolarHBondContact O-N 3.06Å
187E95.7Very high96.3Very high59 Ų5973.7 Ų73.728%0.27638%0.376SS..Hα-helixtrans-91.1-0.7177.1-63-174.8-164.800113.6Q183 E184 F185 R189 R190Q183-E187 PolarHBondContact NE2-OE1 3.16Å; Q183-E187 PolarHBondContact O-N 3.34Å; Q183-E187 VanDerWaalsContact O-N 3.14Å; E184-E187 CarbonylContact O-C 3.46Å; E184-E187 PolarHBondContact O-N 2.99Å; F185-E187 PolarHBondContact O-N 3.25Å; E187-R189 PolarHBondContact O-N 3.4Å; E187-R190 WeakPolarHBondContact O-CB 3.32Å; E187-R190 WeakPolarHBondContact O-CG 3.5Å; E187-R190 PolarHBondContact O-N 2.65Å; E187-R190 IonicContact OE2-CZ 2.98Å; E187-R190 IonicContact OE2-NE 3.9Å; E187-R190 IonicContact OE2-NH1 2.65Å; E187-R190 PolarHBondContact OE2-NH1 3.09Å; E187-R190 IonicContact OE2-NH2 3.03Å; E187-R190 PolarHBondContact OE2-NH2 3.31Å
188G93.5Very high96.3Very high31 Ų3172.2 Ų72.232%0.3237%0.369SS..G310 helixtrans-60-22.9-170.800000115.2E184 F185 R190 A191 S192E184-G188 WeakPolarHBondContact O-CA 3.43Å; E184-G188 PolarHBondContact O-N 3Å; F185-G188 PolarHBondContact O-N 2.89Å; F185-G188 VanDerWaalsContact O-N 3.07Å; G188-R190 PolarHBondContact O-N 3.34Å; G188-R190 VanDerWaalsContact O-N 3.12Å; G188-A191 PolarHBondContact O-N 3.12Å; G188-S192 PolarHBondContact O-N 3.39Å
189R93.7Very high96.3Very high111 Ų11175.7 Ų75.742%0.41939%0.387SS..G310 helixtrans-64.2-13.7173.8-70.9-168.9-63.5174.2-1.5113.7E187 A191 S192 H193E187-R189 PolarHBondContact O-N 3.4Å; R189-A191 VanDerWaalsContact C-N 3.3Å; R189-S192 WeakPolarHBondContact CA-O 3.47Å; R189-S192 CarbonylContact O-C 3.34Å; R189-H193 PolarHBondContact O-N 3.4Å
190R95.1Very high96.3Very high203 Ų20374.2 Ų74.277%0.76638%0.381SS*.G310 helixtrans-62.9-36.4168.1-70.1-177.1-178.1159.811.8112.2E187 G188E187-R190 WeakPolarHBondContact O-CB 3.32Å; E187-R190 WeakPolarHBondContact O-CG 3.5Å; E187-R190 PolarHBondContact O-N 2.65Å; E187-R190 IonicContact OE2-CZ 2.98Å; E187-R190 IonicContact OE2-NE 3.9Å; E187-R190 IonicContact OE2-NH1 2.65Å; E187-R190 PolarHBondContact OE2-NH1 3.09Å; E187-R190 IonicContact OE2-NH2 3.03Å; E187-R190 PolarHBondContact OE2-NH2 3.31Å; G188-R190 PolarHBondContact O-N 3.34Å; G188-R190 VanDerWaalsContact O-N 3.12Å
191A96Very high96.3Very high89 Ų8971.7 Ų71.774%0.73637%0.368SS*.THydrogen-bonded Turntrans-83.9-32.1178.200000112.2G188 R189G188-A191 PolarHBondContact O-N 3.12Å; R189-A191 VanDerWaalsContact C-N 3.3Å
192S94.4Very high96.2Very high59 Ų5972 Ų7241%0.41337%0.369SS..  trans-144.398.9179.5-71.50000110.9G188 R189 T194 A195G188-S192 PolarHBondContact O-N 3.39Å; R189-S192 WeakPolarHBondContact CA-O 3.47Å; R189-S192 CarbonylContact O-C 3.34Å; S192-T194 PolarHBondContact O-N 2.79Å; S192-T194 VanDerWaalsContact O-N 3.13Å; S192-A195 VanDerWaalsContact O-CB 3.31Å; S192-A195 WeakPolarHBondContact O-CB 3.17Å; S192-A195 PolarHBondContact O-N 3.4Å
193H94.9Very high96Very high165 Ų16577.7 Ų77.776%0.76439%0.391SS*.THydrogen-bonded Turntrans-61-23.5-178.468.6-84.3000113.5R189R189-H193 PolarHBondContact O-N 3.4Å
194T96.4Very high95.9Very high60 Ų6079.8 Ų79.837%0.36840%0.401SS..THydrogen-bonded Turntrans-87.5-9178.558.50000113.9S192 R230 H231S192-T194 PolarHBondContact O-N 2.79Å; S192-T194 VanDerWaalsContact O-N 3.13Å; T194-R230 VanDerWaalsContact CG2-NH1 3.29Å; T194-R230 WeakPolarHBondContact O-CD 3.44Å; T194-H231 PolarHBondContact O-CE1 3.46Å; T194-H231 PolarHBondContact O-NE2 3.2Å
195A96.8Very high95.8Very high31 Ų3175 Ų7526%0.25638%0.381SS..SBendtrans-70.7159.3-175.700000112.5S192S192-A195 VanDerWaalsContact O-CB 3.31Å; S192-A195 WeakPolarHBondContact O-CB 3.17Å; S192-A195 PolarHBondContact O-N 3.4Å
196P97.8Very high95.7Very high39 Ų3973.2 Ų73.225%0.25338%0.375SS..PPolyproline II helixtrans-51.3145.8170.8-28.236000112.5F225 V226 L227P196-F225 HydrophobicContact CB-CD1 4.27Å; P196-V226 WeakPolarHBondContact CA-O 3.38Å; P196-V226 WeakPolarHBondContact CB-O 3.5Å; P196-L227 HydrophobicContact CB-CD2 3.88Å; P196-L227 HydrophobicContact CG-CD2 3.66Å
197Q97.6Very high95.5Very high49 Ų4974.7 Ų74.723%0.22939%0.387CS..EExtended strand (participates in β ladder)trans-78.7135.6169.5173.6179.116.400109.2L199 V226Q197-L199 HydrophobicContact CG-CD1 4.18Å; Q197-V226 HydrophobicContact CB-CB 4.1Å; Q197-V226 HydrophobicContact CB-CG2 4.44Å; Q197-V226 PolarHBondContact N-O 2.97Å; Q197-V226 PolarHBondContact O-N 2.92Å
198V98.2Very high95.1Very high11 Ų1176.3 Ų76.37%0.06740%0.395CS..EExtended strand (participates in β ladder)trans-113.1132.9175-173.70000109.5M182 F185 I223 T224 F225M182-V198 HydrophobicContact CE-CG1 4.36Å; F185-V198 HydrophobicContact CB-CB 4.42Å; F185-V198 HydrophobicContact CB-CG1 4.14Å; F185-V198 HydrophobicContact CD1-CG2 4.43Å; V198-I223 HydrophobicContact CG1-CG2 3.87Å; V198-T224 CarbonylContact C-O 3.51Å; V198-T224 WeakPolarHBondContact CA-O 3.17Å; V198-F225 HydrophobicContact CG2-CD1 3.85Å; V198-F225 HydrophobicContact CG2-CE1 3.55Å; V198-F225 HydrophobicContact CG2-CZ 4.02Å
199L97.6Very high95.1Very high73 Ų7374.9 Ų74.938%0.38238%0.38SS..EExtended strand (participates in β ladder)trans-117.9152.8168.6-52.293000109.1Q197 T224 V226Q197-L199 HydrophobicContact CG-CD1 4.18Å; L199-T224 HydrophobicContact CD1-CG2 4.07Å; L199-T224 PolarHBondContact N-O 3.28Å; L199-T224 PolarHBondContact O-N 3.09Å; L199-V226 HydrophobicContact CD1-CG2 3.64Å
200F97.1Very high94.7Very high47 Ų4776.8 Ų76.821%0.20639%0.391CS..EExtended strand (participates in β ladder)trans-134.7128.2177.2175.6-110.7000108.9K179 M182 H202 Y222 I223K179-F200 HydrophobicContact CG-CE1 3.94Å; K179-F200 HydrophobicContact CG-CZ 4.16Å; M182-F200 HydrophobicContact CB-CB 4.04Å; M182-F200 HydrophobicContact CB-CD1 3.95Å; M182-F200 HydrophobicContact CB-CD2 3.85Å; M182-F200 HydrophobicContact CB-CE1 4.38Å; M182-F200 HydrophobicContact CB-CE2 4.27Å; M182-F200 HydrophobicContact CB-CG 3.66Å; M182-F200 HydrophobicContact CG-CD2 3.79Å; M182-F200 HydrophobicContact CG-CE2 3.97Å; M182-F200 HydrophobicContact CG-CG 4.16Å; M182-F200 HydrophobicContact CG-CZ 4.49Å; M182-F200 HydrophobicContact SD-CD2 4.04Å; F200-H202 HydrophobicContact CE1-CB 4Å; F200-H202 HydrophobicContact CZ-CB 4.13Å; F200-Y222 WeakPolarHBondContact CA-O 3.33Å; F200-Y222 WeakPolarHBondContact CD2-O 3.47Å; F200-I223 HydrophobicContact CD2-CG1 4.16Å
201S96.5Very high94.1Very high41 Ų4175 Ų7529%0.28740%0.397SS..EExtended strand (participates in β ladder)trans-119.4136.7169.3-174.80000108.8E204 Y222S201-E204 WeakPolarHBondContact CB-O 3.36Å; S201-E204 PolarHBondContact OG-O 3.21Å; S201-Y222 PolarHBondContact N-O 3.1Å; S201-Y222 PolarHBondContact O-N 2.99Å
202H95.3Very high93.6Very high57 Ų5772.9 Ų72.926%0.26438%0.375SS..EExtended strand (participates in β ladder)trans-106136.9178.5177.449000109.1K179 F200 E204 D218 I220K179-H202 WeakPolarHBondContact CE-CD2 3.3Å; K179-H202 VanDerWaalsContact CE-CE1 3.49Å; K179-H202 WeakPolarHBondContact CE-CE1 3.49Å; K179-H202 VanDerWaalsContact CE-CG 3.48Å; K179-H202 VanDerWaalsContact CE-NE2 3.3Å; K179-H202 WeakPolarHBondContact CE-NE2 3.33Å; K179-H202 PolarHBondContact NZ-CD2 3.26Å; K179-H202 PolarHBondContact NZ-CE1 3.48Å; K179-H202 PolarHBondContact NZ-NE2 3.3Å; F200-H202 HydrophobicContact CE1-CB 4Å; F200-H202 HydrophobicContact CZ-CB 4.13Å; H202-E204 PolarHBondContact O-N 2.91Å; H202-D218 PolarHBondContact CE1-O 3.42Å; H202-I220 PolarHBondContact ND1-O 3.47Å
203R93.4Very high93Very high121 Ų12176.2 Ų76.246%0.45739%0.388SS..SBendtrans71.8-48.7179.7-45.717266.8-168.45.5115.3V216 G217 D218 I220R203-V216 WeakPolarHBondContact O-CA 3.33Å; R203-V216 WeakPolarHBondContact O-CG1 3.27Å; R203-G217 VanDerWaalsContact CA-O 3.28Å; R203-G217 WeakPolarHBondContact CA-O 3.49Å; R203-G217 PolarHBondContact O-N 3.34Å; R203-D218 IonicContact CZ-OD1 2.83Å; R203-D218 IonicContact NE-OD1 3.61Å; R203-D218 PolarHBondContact NE-OD1 3.28Å; R203-D218 IonicContact NH2-OD1 3.29Å; R203-D218 PolarHBondContact NH2-OD1 3.04Å; R203-D218 IonicContact NH2-OD2 3.41Å; R203-I220 PolarHBondContact N-O 2.88Å
204E94.4Very high92.9Very high130 Ų13069 Ų6961%0.60736%0.357SS*.SBendtrans-107.7142.1-172.9-64.1-175.4171.300111.8S201 H202 V216 Y222S201-E204 WeakPolarHBondContact CB-O 3.36Å; S201-E204 PolarHBondContact OG-O 3.21Å; H202-E204 PolarHBondContact O-N 2.91Å; E204-V216 HydrophobicContact CG-CG1 4.37Å; E204-Y222 WeakPolarHBondContact O-CD2 3.37Å
205P95.4Very high92.8Very high26 Ų2668.5 Ų68.517%0.16936%0.359CS..  trans-63.8154.8173.525.6-32.9000111.7L209 A214 Y222P205-L209 HydrophobicContact CB-CB 3.96Å; P205-A214 HydrophobicContact CB-CB 3.83Å; P205-A214 HydrophobicContact CG-CB 3.96Å; P205-Y222 HydrophobicContact CB-CD1 4.28Å; P205-Y222 HydrophobicContact CB-CD2 4.4Å; P205-Y222 HydrophobicContact CB-CE1 3.83Å; P205-Y222 HydrophobicContact CB-CE2 3.99Å
206P93.8Very high92.7Very high22 Ų2271.7 Ų71.714%0.14338%0.375CS..  trans-62.1157.8168.631-36.7000110.6V164 E208 L209V164-P206 HydrophobicContact CG1-CG 4.28Å; P206-E208 WeakPolarHBondContact CB-OE2 3.48Å; P206-E208 PolarHBondContact O-N 2.99Å; P206-L209 HydrophobicContact CG-CB 4.44Å; P206-L209 HydrophobicContact CG-CD1 4Å; P206-L209 HydrophobicContact CG-CG 4.09Å; P206-L209 PolarHBondContact O-N 3.28Å
207L91.1Very high92.6Very high144 Ų14470.8 Ų70.875%0.75437%0.373SS*.G310 helixtrans-55.6-31.7-174-69174.6000112.8L209 K210L207-L209 PolarHBondContact O-N 2.86Å; L207-K210 WeakPolarHBondContact O-CB 3.41Å; L207-K210 PolarHBondContact O-N 3.29Å
208E88.8Confident92.4Very high93 Ų9372.8 Ų72.844%0.43539%0.385SS..G310 helixtrans-63.5-19.7177.2-62.395.7149.300114.5K157 P206K157-E208 IonicContact NZ-OE1 3.38Å; K157-E208 PolarHBondContact NZ-OE1 3.47Å; P206-E208 WeakPolarHBondContact CB-OE2 3.48Å; P206-E208 PolarHBondContact O-N 2.99Å
209L92.6Very high92.3Very high1 Ų174.6 Ų74.61%0.00539%0.394CS..G310 helixtrans-111.19.5-179.4-59.2-177.6000112.3Y153 V164 P205 P206 L207 D211 T212 A214 Y222Y153-L209 HydrophobicContact CD1-CD1 4.24Å; Y153-L209 HydrophobicContact CD1-CD2 3.7Å; Y153-L209 HydrophobicContact CD2-CD1 3.48Å; Y153-L209 VanDerWaalsContact CD2-CD1 3.48Å; Y153-L209 HydrophobicContact CD2-CD2 4.39Å; Y153-L209 HydrophobicContact CE1-CD1 4.49Å; Y153-L209 HydrophobicContact CE1-CD2 4.25Å; Y153-L209 HydrophobicContact CE2-CD1 3.77Å; Y153-L209 HydrophobicContact CG-CD1 3.75Å; Y153-L209 HydrophobicContact CG-CD2 3.78Å; Y153-L209 HydrophobicContact CG-CG 4.45Å; V164-L209 HydrophobicContact CB-CD1 4.11Å; V164-L209 HydrophobicContact CG1-CD1 3.8Å; V164-L209 HydrophobicContact CG2-CD1 4.39Å; P205-L209 HydrophobicContact CB-CB 3.96Å; P206-L209 HydrophobicContact CG-CB 4.44Å; P206-L209 HydrophobicContact CG-CD1 4Å; P206-L209 HydrophobicContact CG-CG 4.09Å; P206-L209 PolarHBondContact O-N 3.28Å; L207-L209 PolarHBondContact O-N 2.86Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.28Å; L209-T212 PolarHBondContact O-N 3.27Å; L209-T212 PolarHBondContact O-OG1 3.1Å; L209-A214 HydrophobicContact CB-CB 4.23Å; L209-Y222 HydrophobicContact CD1-CD1 4.28Å; L209-Y222 HydrophobicContact CD1-CE1 4.21Å
210K85.6Confident92.3Very high152 Ų15272 Ų7266%0.66138%0.381SS*.THydrogen-bonded Turntrans-67.5-28.5-176.9-167.7178179.4-1780113.2L207 T212L207-K210 WeakPolarHBondContact O-CB 3.41Å; L207-K210 PolarHBondContact O-N 3.29Å; K210-T212 VanDerWaalsContact C-N 3.31Å
211D81.9Confident92.3Very high164 Ų16469.8 Ų69.888%0.87737%0.371SS*.THydrogen-bonded Turntrans-918.8-179.6-58.9-37.1000112.9L209L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.28Å
212T85.2Confident92.4Very high45 Ų4567.8 Ų67.828%0.27636%0.357SS..THydrogen-bonded Turntrans-105.6173.9175.773.10000110.8L209 K210 A214L209-T212 PolarHBondContact O-N 3.27Å; L209-T212 PolarHBondContact O-OG1 3.1Å; K210-T212 VanDerWaalsContact C-N 3.31Å; T212-A214 PolarHBondContact O-N 2.91Å; T212-A214 WeakPolarHBondContact OG1-CB 3.42Å; T212-A214 PolarHBondContact OG1-N 3.49Å
213D83.4Confident92.5Very high130 Ų13065.1 Ų65.170%0.69535%0.345SS*.THydrogen-bonded Turntrans-74.730.417060.9-19.2000112.8A215D213-A215 PolarHBondContact O-N 3.4Å
214A92.4Very high92.8Very high13 Ų1360 Ų6011%0.10733%0.327CS..  trans-63.1120.8-178.400000110.4P205 L209 T212 Y222P205-A214 HydrophobicContact CB-CB 3.83Å; P205-A214 HydrophobicContact CG-CB 3.96Å; L209-A214 HydrophobicContact CB-CB 4.23Å; T212-A214 PolarHBondContact O-N 2.91Å; T212-A214 WeakPolarHBondContact OG1-CB 3.42Å; T212-A214 PolarHBondContact OG1-N 3.49Å; A214-Y222 HydrophobicContact CB-CE1 4.41Å; A214-Y222 WeakPolarHBondContact CB-OH 3.34Å
215A93.5Very high93Very high50 Ų5054.8 Ų54.841%0.41330%0.302SS..  trans-64138.3-175.700000112.3D213 I220 Y222D213-A215 PolarHBondContact O-N 3.4Å; A215-I220 HydrophobicContact CB-CD1 3.61Å; A215-Y222 PolarHBondContact N-OH 2.88Å; A215-Y222 VanDerWaalsContact N-OH 3.15Å; A215-Y222 WeakPolarHBondContact O-CE2 3.25Å; A215-Y222 PolarHBondContact O-OH 3.5Å
216V95.1Very high93.1Very high97 Ų9753.8 Ų53.859%0.58830%0.296SS*.  trans-112.7136.9175177.50000108.6R203 E204R203-V216 WeakPolarHBondContact O-CA 3.33Å; R203-V216 WeakPolarHBondContact O-CG1 3.27Å; E204-V216 HydrophobicContact CG-CG1 4.37Å
217G94.8Very high93.3Very high20 Ų2052.9 Ų52.921%0.20629%0.29CS..  trans177.5156.4177.800000115R203 N219 I220R203-G217 VanDerWaalsContact CA-O 3.28Å; R203-G217 WeakPolarHBondContact CA-O 3.49Å; R203-G217 PolarHBondContact O-N 3.34Å; G217-N219 PolarHBondContact O-N 3.1Å; G217-I220 PolarHBondContact O-N 3.49Å
218D95.2Very high93.7Very high91 Ų9148.2 Ų48.249%0.48726%0.264SS..THydrogen-bonded Turntrans-64.1-23.9-176-65.1-14.4000113.3H202 R203H202-D218 PolarHBondContact CE1-O 3.42Å; R203-D218 IonicContact CZ-OD1 2.83Å; R203-D218 IonicContact NE-OD1 3.61Å; R203-D218 PolarHBondContact NE-OD1 3.28Å; R203-D218 IonicContact NH2-OD1 3.29Å; R203-D218 PolarHBondContact NH2-OD1 3.04Å; R203-D218 IonicContact NH2-OD2 3.41Å
219N95.9Very high94.1Very high49 Ų4946.8 Ų46.826%0.26226%0.262SS..THydrogen-bonded Turntrans-100.510.1178.8-66.880.3000112.8F169 D172 G217F169-N219 PolarHBondContact N-O 2.86Å; F169-N219 WeakPolarHBondContact O-CB 3.32Å; F169-N219 PolarHBondContact O-ND2 2.96Å; D172-N219 PolarHBondContact OD1-ND2 3.33Å; G217-N219 PolarHBondContact O-N 3.1Å
220I96.8Very high94.4Very high19 Ų1953.7 Ų53.710%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-103.7135.4-178.4-53.1-173.6000110.2V168 H202 R203 A215 G217 Y222V168-I220 HydrophobicContact CG2-CG1 4.35Å; H202-I220 PolarHBondContact ND1-O 3.47Å; R203-I220 PolarHBondContact N-O 2.88Å; A215-I220 HydrophobicContact CB-CD1 3.61Å; G217-I220 PolarHBondContact O-N 3.49Å; I220-Y222 HydrophobicContact CG2-CD2 4.16Å; I220-Y222 HydrophobicContact CG2-CE2 3.65Å
221G97.1Very high95Very high0 Ų047.5 Ų47.50%026%0.262CS..EExtended strand (participates in β ladder)trans-125.1134.7171.200000111.1T167T167-G221 PolarHBondContact N-O 3.02Å; T167-G221 PolarHBondContact O-N 3.43Å
222Y98.1Very high95.7Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-103.3119.9172.4-73.4-93.3000109.6Y153 V164 F165 S166 F200 S201 E204 P205 L209 A214 A215 I220Y153-Y222 HydrophobicContact CE2-CE1 4.43Å; V164-Y222 HydrophobicContact CG1-CD1 3.98Å; F165-Y222 CarbonylContact O-C 3.59Å; F165-Y222 WeakPolarHBondContact O-CA 3.37Å; S166-Y222 VanDerWaalsContact CB-CE1 3.48Å; S166-Y222 WeakPolarHBondContact OG-CE1 3.32Å; S166-Y222 PolarHBondContact OG-OH 2.67Å; F200-Y222 WeakPolarHBondContact CA-O 3.33Å; F200-Y222 WeakPolarHBondContact CD2-O 3.47Å; S201-Y222 PolarHBondContact N-O 3.1Å; S201-Y222 PolarHBondContact O-N 2.99Å; E204-Y222 WeakPolarHBondContact O-CD2 3.37Å; P205-Y222 HydrophobicContact CB-CD1 4.28Å; P205-Y222 HydrophobicContact CB-CD2 4.4Å; P205-Y222 HydrophobicContact CB-CE1 3.83Å; P205-Y222 HydrophobicContact CB-CE2 3.99Å; L209-Y222 HydrophobicContact CD1-CD1 4.28Å; L209-Y222 HydrophobicContact CD1-CE1 4.21Å; A214-Y222 HydrophobicContact CB-CE1 4.41Å; A214-Y222 WeakPolarHBondContact CB-OH 3.34Å; A215-Y222 PolarHBondContact N-OH 2.88Å; A215-Y222 VanDerWaalsContact N-OH 3.15Å; A215-Y222 WeakPolarHBondContact O-CE2 3.25Å; A215-Y222 PolarHBondContact O-OH 3.5Å; I220-Y222 HydrophobicContact CG2-CD2 4.16Å; I220-Y222 HydrophobicContact CG2-CE2 3.65Å
223I98.4Very high96.3Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-112.6117.6177.5-51.979.3000108.3V164 F165 T167 M182 V198 F200 F225 F247V164-I223 CarbonylContact C-O 3.56Å; V164-I223 WeakPolarHBondContact CA-O 3.5Å; F165-I223 PolarHBondContact N-O 3.21Å; F165-I223 PolarHBondContact O-N 2.72Å; T167-I223 HydrophobicContact CG2-CD1 3.49Å; T167-I223 VanDerWaalsContact CG2-CD1 3.49Å; M182-I223 HydrophobicContact CE-CG1 4.49Å; M182-I223 HydrophobicContact CE-CG2 4.13Å; M182-I223 HydrophobicContact SD-CB 4.32Å; M182-I223 HydrophobicContact SD-CD1 4.32Å; M182-I223 HydrophobicContact SD-CG1 3.32Å; M182-I223 WeakPolarHBondContact SD-CG1 3.33Å; M182-I223 HydrophobicContact SD-CG2 3.99Å; V198-I223 HydrophobicContact CG1-CG2 3.87Å; F200-I223 HydrophobicContact CD2-CG1 4.16Å; I223-F225 HydrophobicContact CG2-CD2 4.13Å; I223-F225 HydrophobicContact CG2-CE2 3.72Å; I223-F247 HydrophobicContact CB-CE1 3.96Å; I223-F247 HydrophobicContact CB-CZ 4.42Å; I223-F247 HydrophobicContact CG1-CE1 3.99Å; I223-F247 HydrophobicContact CG1-CZ 4.28Å; I223-F247 HydrophobicContact CG2-CE1 3.73Å; I223-F247 HydrophobicContact CG2-CZ 3.8Å
224T98.4Very high96.9Very high15 Ų1537 Ų379%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-106.5118.5179-54.30000110.3V163 V164 V198 L199 V226V163-T224 WeakPolarHBondContact O-CA 3.37Å; V164-T224 HydrophobicContact CG2-CG2 3.95Å; V198-T224 CarbonylContact C-O 3.51Å; V198-T224 WeakPolarHBondContact CA-O 3.17Å; L199-T224 HydrophobicContact CD1-CG2 4.07Å; L199-T224 PolarHBondContact N-O 3.28Å; L199-T224 PolarHBondContact O-N 3.09Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å
225F98.6Very high97.2Very high19 Ų1942.3 Ų42.38%0.08325%0.249CC..EExtended strand (participates in β ladder)trans-93.4128.3165.7-78-96.7000110T162 V163 F165 P196 V198 I223 I244 F247T162-F225 WeakPolarHBondContact CA-O 3.43Å; V163-F225 HydrophobicContact CB-CB 4.43Å; V163-F225 PolarHBondContact N-O 3.16Å; V163-F225 PolarHBondContact O-N 2.73Å; F165-F225 HydrophobicContact CD2-CD2 4.39Å; F165-F225 HydrophobicContact CE2-CD2 4.41Å; P196-F225 HydrophobicContact CB-CD1 4.27Å; V198-F225 HydrophobicContact CG2-CD1 3.85Å; V198-F225 HydrophobicContact CG2-CE1 3.55Å; V198-F225 HydrophobicContact CG2-CZ 4.02Å; I223-F225 HydrophobicContact CG2-CD2 4.13Å; I223-F225 HydrophobicContact CG2-CE2 3.72Å; F225-I244 HydrophobicContact CB-CD1 3.82Å; F225-I244 HydrophobicContact CD1-CD1 3.82Å; F225-I244 HydrophobicContact CD2-CD1 3.65Å; F225-I244 HydrophobicContact CE1-CD1 4.3Å; F225-I244 HydrophobicContact CE2-CD1 4.15Å; F225-I244 HydrophobicContact CG-CD1 3.46Å; F225-I244 VanDerWaalsContact CG-CD1 3.46Å; F225-I244 HydrophobicContact CZ-CD1 4.46Å; F225-F247 AromaticContact CE2-CD1 3.62Å; F225-F247 HydrophobicContact CE2-CD1 3.62Å; F225-F247 AromaticContact CE2-CD2 3.76Å; F225-F247 HydrophobicContact CE2-CD2 3.76Å; F225-F247 AromaticContact CE2-CE1 3.67Å; F225-F247 HydrophobicContact CE2-CE1 3.67Å; F225-F247 AromaticContact CE2-CE2 3.79Å; F225-F247 HydrophobicContact CE2-CE2 3.79Å; F225-F247 AromaticContact CE2-CG 3.67Å; F225-F247 HydrophobicContact CE2-CG 3.67Å; F225-F247 AromaticContact CE2-CZ 3.75Å; F225-F247 HydrophobicContact CE2-CZ 3.75Å; F225-F247 HydrophobicContact CZ-CD1 4.24Å; F225-F247 AromaticContact CZ-CD2 3.49Å; F225-F247 HydrophobicContact CZ-CD2 3.49Å; F225-F247 VanDerWaalsContact CZ-CD2 3.49Å; F225-F247 HydrophobicContact CZ-CE1 4.31Å; F225-F247 AromaticContact CZ-CE2 3.55Å; F225-F247 HydrophobicContact CZ-CE2 3.55Å; F225-F247 AromaticContact CZ-CG 3.86Å; F225-F247 HydrophobicContact CZ-CG 3.86Å; F225-F247 AromaticContact CZ-CZ 3.98Å; F225-F247 HydrophobicContact CZ-CZ 3.98Å
226V98.4Very high97.4Very high6 Ų641.2 Ų41.24%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-105.7106.9172.4-175.50000108.5R160 T162 P196 Q197 L199 T224 F228R160-V226 HydrophobicContact CB-CG1 3.9Å; R160-V226 HydrophobicContact CG-CG1 4.19Å; T162-V226 HydrophobicContact CG2-CG2 4.34Å; P196-V226 WeakPolarHBondContact CA-O 3.38Å; P196-V226 WeakPolarHBondContact CB-O 3.5Å; Q197-V226 HydrophobicContact CB-CB 4.1Å; Q197-V226 HydrophobicContact CB-CG2 4.44Å; Q197-V226 PolarHBondContact N-O 2.97Å; Q197-V226 PolarHBondContact O-N 2.92Å; L199-V226 HydrophobicContact CD1-CG2 3.64Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; V226-F228 HydrophobicContact CG1-CE1 4.2Å; V226-F228 HydrophobicContact CG1-CE2 4.19Å; V226-F228 HydrophobicContact CG1-CZ 3.83Å
227L98.6Very high97.5Very high2 Ų239.1 Ų39.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-95.7134.3179.4-54.5176.6000109.5F129 R160 V161 V163 P196 H231 T232 T240F129-L227 HydrophobicContact CE1-CD1 3.81Å; F129-L227 HydrophobicContact CZ-CD1 3.76Å; R160-L227 CarbonylContact C-O 3.46Å; R160-L227 WeakPolarHBondContact CA-O 3.28Å; R160-L227 WeakPolarHBondContact CB-O 3.43Å; V161-L227 HydrophobicContact CB-CB 4.43Å; V161-L227 PolarHBondContact N-O 3Å; V161-L227 PolarHBondContact O-N 3.28Å; V163-L227 HydrophobicContact CG2-CD1 4.04Å; P196-L227 HydrophobicContact CB-CD2 3.88Å; P196-L227 HydrophobicContact CG-CD2 3.66Å; L227-H231 HydrophobicContact CB-CB 4.26Å; L227-H231 HydrophobicContact CD2-CB 4.33Å; L227-T232 HydrophobicContact CB-CG2 3.85Å; L227-T240 HydrophobicContact CD1-CG2 3.91Å; L227-T240 HydrophobicContact CD2-CG2 4.21Å
228F98.4Very high97.6Very high47 Ų4742.1 Ų42.121%0.20623%0.233CC..  trans-106.7169.4179.8-66.4-73000110.1R160 V226 R230 H231 T232R160-F228 HydrophobicContact CB-CD1 4.22Å; R160-F228 HydrophobicContact CB-CE1 4.3Å; V226-F228 HydrophobicContact CG1-CE1 4.2Å; V226-F228 HydrophobicContact CG1-CE2 4.19Å; V226-F228 HydrophobicContact CG1-CZ 3.83Å; F228-R230 HydrophobicContact CB-CG 4.04Å; F228-R230 PolarHBondContact O-N 3.2Å; F228-H231 PolarHBondContact N-CD2 3.49Å; F228-H231 VanDerWaalsContact N-CD2 3.31Å; F228-H231 WeakPolarHBondContact O-CA 3.17Å; F228-H231 WeakPolarHBondContact O-CB 3.38Å; F228-H231 PolarHBondContact O-N 3.28Å; F228-T232 PolarHBondContact O-N 3.11Å; F228-T232 PolarHBondContact O-OG1 2.92Å
229P98.2Very high97.8Very high62 Ų6242.5 Ų42.540%0.40324%0.235SC..Hα-helixtrans-50.1-33.3179-32.536.5000114.8D159 H231 T232 N233D159-P229 WeakPolarHBondContact O-CD 3.35Å; P229-H231 PolarHBondContact O-N 2.85Å; P229-T232 WeakPolarHBondContact CA-OG1 3.35Å; P229-T232 PolarHBondContact O-N 2.69Å; P229-N233 WeakPolarHBondContact O-CB 3.42Å; P229-N233 PolarHBondContact O-N 2.88Å; P229-N233 PolarHBondContact O-ND2 3.48Å
230R97.6Very high97.9Very high147 Ų14741 Ų4156%0.55523%0.228SC*.Hα-helixtrans-62.5-17.9174.362.3173.573.7-148.71.1114.5T194 F228 N233T194-R230 VanDerWaalsContact CG2-NH1 3.29Å; T194-R230 WeakPolarHBondContact O-CD 3.44Å; F228-R230 HydrophobicContact CB-CG 4.04Å; F228-R230 PolarHBondContact O-N 3.2Å; R230-N233 WeakPolarHBondContact CA-ND2 3.36Å; R230-N233 PolarHBondContact O-ND2 3.06Å; R230-N233 VanDerWaalsContact O-ND2 3.09Å
231H98.3Very high98Very high21 Ų2140.1 Ų40.110%0.09722%0.223CC..Hα-helixtrans-105-31.1179.7-51.9-38.9000112.2T194 L227 F228 P229 T240T194-H231 PolarHBondContact O-CE1 3.46Å; T194-H231 PolarHBondContact O-NE2 3.2Å; L227-H231 HydrophobicContact CB-CB 4.26Å; L227-H231 HydrophobicContact CD2-CB 4.33Å; F228-H231 PolarHBondContact N-CD2 3.49Å; F228-H231 VanDerWaalsContact N-CD2 3.31Å; F228-H231 WeakPolarHBondContact O-CA 3.17Å; F228-H231 WeakPolarHBondContact O-CB 3.38Å; F228-H231 PolarHBondContact O-N 3.28Å; P229-H231 PolarHBondContact O-N 2.85Å; H231-T240 HydrophobicContact CB-CG2 4.44Å; H231-T240 WeakPolarHBondContact O-CB 3.33Å; H231-T240 PolarHBondContact O-OG1 3.37Å
232T98.2Very high98.1Very high5 Ų542 Ų423%0.03123%0.233CC..Hα-helixtrans-96.7-15.4-172.856.10000113.8F129 Q132 V161 L227 F228 P229F129-T232 HydrophobicContact CD1-CG2 3.59Å; F129-T232 HydrophobicContact CD2-CG2 4.08Å; F129-T232 HydrophobicContact CE1-CG2 3.73Å; F129-T232 HydrophobicContact CE2-CG2 4.22Å; F129-T232 HydrophobicContact CG-CG2 3.79Å; F129-T232 HydrophobicContact CZ-CG2 4.06Å; Q132-T232 PolarHBondContact OE1-OG1 2.84Å; V161-T232 HydrophobicContact CB-CG2 4.2Å; V161-T232 HydrophobicContact CG2-CG2 4.01Å; L227-T232 HydrophobicContact CB-CG2 3.85Å; F228-T232 PolarHBondContact O-N 3.11Å; F228-T232 PolarHBondContact O-OG1 2.92Å; P229-T232 WeakPolarHBondContact CA-OG1 3.35Å; P229-T232 PolarHBondContact O-N 2.69Å
233N97.1Very high98.1Very high52 Ų5245.7 Ų45.728%0.27825%0.252SS..SBendtrans-58.3155.6176.866.775.3000112.7P229 R230 S235 A236 R237P229-N233 WeakPolarHBondContact O-CB 3.42Å; P229-N233 PolarHBondContact O-N 2.88Å; P229-N233 PolarHBondContact O-ND2 3.48Å; R230-N233 WeakPolarHBondContact CA-ND2 3.36Å; R230-N233 PolarHBondContact O-ND2 3.06Å; R230-N233 VanDerWaalsContact O-ND2 3.09Å; N233-S235 PolarHBondContact O-N 3.34Å; N233-S235 VanDerWaalsContact O-N 3.1Å; N233-S235 WeakPolarHBondContact OD1-CB 3.41Å; N233-S235 PolarHBondContact OD1-N 3.17Å; N233-S235 VanDerWaalsContact OD1-N 3.11Å; N233-A236 PolarHBondContact O-N 3.32Å; N233-A236 PolarHBondContact OD1-N 3.24Å; N233-R237 VanDerWaalsContact O-CB 3.32Å; N233-R237 WeakPolarHBondContact O-CB 3.4Å; N233-R237 PolarHBondContact O-N 2.84Å
234A96.7Very high98.1Very high63 Ų6346.1 Ų46.152%0.52125%0.254SS..Hα-helixtrans-52.3-36.5-176.800000114.2
235S97.6Very high98.1Very high124 Ų12446.1 Ų46.187%0.86725%0.253SS*.Hα-helixtrans-71.7-30.8-178.6-52.40000113.5N233N233-S235 PolarHBondContact O-N 3.34Å; N233-S235 VanDerWaalsContact O-N 3.1Å; N233-S235 WeakPolarHBondContact OD1-CB 3.41Å; N233-S235 PolarHBondContact OD1-N 3.17Å; N233-S235 VanDerWaalsContact OD1-N 3.11Å
236A97.5Very high98.1Very high26 Ų2646.1 Ų46.122%0.21526%0.255CS..Hα-helixtrans-101.1-16.6-178.800000113.3N233 D238 N239 T240N233-A236 PolarHBondContact O-N 3.32Å; N233-A236 PolarHBondContact OD1-N 3.24Å; A236-D238 PolarHBondContact O-N 2.81Å; A236-N239 PolarHBondContact O-N 3.2Å; A236-T240 PolarHBondContact O-N 3.46Å; A236-T240 PolarHBondContact O-OG1 3.39Å
237R97.2Very high98.1Very high54 Ų5446.4 Ų46.420%0.20426%0.256CS..Hα-helixtrans-52.5-48.9-168.9177.6164.582.1-158.13.8113E126 F129 N233 N239 T240 I241E126-R237 IonicContact OE1-CZ 3.78Å; E126-R237 VanDerWaalsContact OE1-CZ 3.28Å; E126-R237 IonicContact OE1-NE 3.99Å; E126-R237 PolarHBondContact OE1-NE 2.89Å; E126-R237 VanDerWaalsContact OE1-NE 3.08Å; E126-R237 IonicContact OE1-NH2 2.67Å; E126-R237 PolarHBondContact OE1-NH2 2.87Å; E126-R237 IonicContact OE2-NH2 3.94Å; F129-R237 HydrophobicContact CD2-CB 4.38Å; F129-R237 HydrophobicContact CD2-CG 3.68Å; F129-R237 HydrophobicContact CE2-CG 3.98Å; N233-R237 VanDerWaalsContact O-CB 3.32Å; N233-R237 WeakPolarHBondContact O-CB 3.4Å; N233-R237 PolarHBondContact O-N 2.84Å; R237-N239 PolarHBondContact O-N 3.46Å; R237-T240 PolarHBondContact O-N 2.96Å; R237-I241 HydrophobicContact CG-CD1 3.67Å; R237-I241 HydrophobicContact CG-CG1 4.36Å; R237-I241 VanDerWaalsContact O-CG1 3.29Å; R237-I241 WeakPolarHBondContact O-CG1 3.32Å; R237-I241 PolarHBondContact O-N 3.22Å
238D97.9Very high98Very high83 Ų8347.7 Ų47.744%0.44426%0.26SS..Hα-helixtrans-62.9-43.2-176.2-79.5-42.4000112.6R118 A236 I241 N242R118-D238 IonicContact CZ-OD1 3.76Å; R118-D238 IonicContact NH1-OD1 2.67Å; R118-D238 PolarHBondContact NH1-OD1 3.48Å; R118-D238 VanDerWaalsContact NH2-CA 3.28Å; R118-D238 PolarHBondContact NH2-O 3.02Å; R118-D238 VanDerWaalsContact NH2-O 3.16Å; R118-D238 IonicContact NH2-OD1 2.71Å; R118-D238 PolarHBondContact NH2-OD1 2.8Å; A236-D238 PolarHBondContact O-N 2.81Å; D238-I241 PolarHBondContact O-N 3.34Å; D238-N242 WeakPolarHBondContact O-CB 3.37Å; D238-N242 PolarHBondContact O-N 2.75Å; D238-N242 PolarHBondContact O-ND2 2.81Å; D238-N242 PolarHBondContact O-OD1 3.26Å; D238-N242 VanDerWaalsContact O-OD1 3.13Å
239N98.4Very high98Very high99 Ų9945.9 Ų45.953%0.52925%0.253SS..Hα-helixtrans-68-40.2177.6-178.866.4000111.8A236 R237 I241 N242 L243A236-N239 PolarHBondContact O-N 3.2Å; R237-N239 PolarHBondContact O-N 3.46Å; N239-I241 VanDerWaalsContact C-N 3.34Å; N239-I241 PolarHBondContact O-N 2.88Å; N239-N242 WeakPolarHBondContact O-CB 3.49Å; N239-N242 PolarHBondContact O-N 2.99Å; N239-L243 WeakPolarHBondContact O-CG 3.38Å; N239-L243 PolarHBondContact O-N 3.02Å; N239-L243 VanDerWaalsContact O-N 3.09Å
240T98.7Very high98Very high18 Ų1844.9 Ų44.911%0.1124%0.241CC..Hα-helixtrans-60.1-45.6174.4-63.60000111F129 L227 H231 A236 R237 N242 L243 I244F129-T240 HydrophobicContact CE2-CG2 4.18Å; F129-T240 HydrophobicContact CZ-CG2 3.98Å; L227-T240 HydrophobicContact CD1-CG2 3.91Å; L227-T240 HydrophobicContact CD2-CG2 4.21Å; H231-T240 HydrophobicContact CB-CG2 4.44Å; H231-T240 WeakPolarHBondContact O-CB 3.33Å; H231-T240 PolarHBondContact O-OG1 3.37Å; A236-T240 PolarHBondContact O-N 3.46Å; A236-T240 PolarHBondContact O-OG1 3.39Å; R237-T240 PolarHBondContact O-N 2.96Å; T240-N242 PolarHBondContact O-N 2.98Å; T240-L243 PolarHBondContact O-N 3.41Å; T240-I244 WeakPolarHBondContact O-CB 3.46Å; T240-I244 VanDerWaalsContact O-CG2 3.32Å; T240-I244 WeakPolarHBondContact O-CG2 3.41Å; T240-I244 PolarHBondContact O-N 3.49Å
241I98.6Very high98.1Very high0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-61.1-45.5176.5-69.2171.6000110.2A122 F125 E126 F129 R237 D238 N239 L243 I244 H245A122-I241 HydrophobicContact CB-CD1 4.34Å; A122-I241 HydrophobicContact CB-CG2 4.12Å; F125-I241 HydrophobicContact CB-CD1 3.82Å; F125-I241 HydrophobicContact CB-CG1 3.69Å; F125-I241 HydrophobicContact CD2-CG1 4.33Å; F125-I241 HydrophobicContact CD2-CG2 4.15Å; F125-I241 HydrophobicContact CG-CG1 4.19Å; E126-I241 HydrophobicContact CG-CD1 4.02Å; F129-I241 HydrophobicContact CE2-CD1 4.5Å; F129-I241 HydrophobicContact CE2-CG1 4.12Å; R237-I241 HydrophobicContact CG-CD1 3.67Å; R237-I241 HydrophobicContact CG-CG1 4.36Å; R237-I241 VanDerWaalsContact O-CG1 3.29Å; R237-I241 WeakPolarHBondContact O-CG1 3.32Å; R237-I241 PolarHBondContact O-N 3.22Å; D238-I241 PolarHBondContact O-N 3.34Å; N239-I241 VanDerWaalsContact C-N 3.34Å; N239-I241 PolarHBondContact O-N 2.88Å; I241-L243 VanDerWaalsContact C-N 3.28Å; I241-L243 PolarHBondContact O-N 2.78Å; I241-I244 PolarHBondContact O-N 2.83Å; I241-H245 PolarHBondContact O-N 3.42Å; I241-H245 VanDerWaalsContact O-N 3.07Å; I241-H245 PolarHBondContact O-ND1 3.18Å
242N98.4Very high98.1Very high39 Ų3937.6 Ų37.621%0.20921%0.213CC..Hα-helixtrans-55.6-41.7178.9-72.4-3.7000112.8V6 R118 D238 N239 T240 H245 T246V6-N242 HydrophobicContact CG2-CB 4.05Å; R118-N242 PolarHBondContact NE-OD1 3.36Å; R118-N242 PolarHBondContact NH2-OD1 3.31Å; D238-N242 WeakPolarHBondContact O-CB 3.37Å; D238-N242 PolarHBondContact O-N 2.75Å; D238-N242 PolarHBondContact O-ND2 2.81Å; D238-N242 PolarHBondContact O-OD1 3.26Å; D238-N242 VanDerWaalsContact O-OD1 3.13Å; N239-N242 WeakPolarHBondContact O-CB 3.49Å; N239-N242 PolarHBondContact O-N 2.99Å; T240-N242 PolarHBondContact O-N 2.98Å; N242-H245 WeakPolarHBondContact CA-ND1 3.34Å; N242-H245 PolarHBondContact O-CE1 2.7Å; N242-H245 PolarHBondContact O-ND1 3.23Å; N242-T246 PolarHBondContact O-OG1 3.09Å
243L98.6Very high98.1Very high78 Ų7841 Ų4141%0.40823%0.226SC..Hα-helixtrans-78.9-43.6179.6-65.2171.4000112.6L3 N239 T240 I241 T246 F247L3-L243 HydrophobicContact CD1-CD2 4.14Å; L3-L243 HydrophobicContact CD2-CD2 4.29Å; N239-L243 WeakPolarHBondContact O-CG 3.38Å; N239-L243 PolarHBondContact O-N 3.02Å; N239-L243 VanDerWaalsContact O-N 3.09Å; T240-L243 PolarHBondContact O-N 3.41Å; I241-L243 VanDerWaalsContact C-N 3.28Å; I241-L243 PolarHBondContact O-N 2.78Å; L243-T246 PolarHBondContact O-N 3.39Å; L243-T246 PolarHBondContact O-OG1 3.24Å; L243-T246 VanDerWaalsContact O-OG1 3.1Å; L243-F247 PolarHBondContact O-N 2.82Å
244I98.4Very high98.2Very high8 Ų839.9 Ų39.94%0.04122%0.219CC..Hα-helixtrans-71.6-37.6-172.2-16165000111.9F125 V163 F165 F225 T240 I241 T246 F247F125-I244 HydrophobicContact CD1-CG2 4.16Å; F125-I244 HydrophobicContact CE1-CG2 3.78Å; F125-I244 HydrophobicContact CE2-CG2 4.28Å; F125-I244 HydrophobicContact CZ-CG2 3.84Å; V163-I244 HydrophobicContact CB-CG1 4.36Å; V163-I244 HydrophobicContact CG1-CG1 4.11Å; V163-I244 HydrophobicContact CG2-CG1 4.43Å; F165-I244 HydrophobicContact CE2-CD1 3.94Å; F165-I244 HydrophobicContact CE2-CG1 4.04Å; F165-I244 HydrophobicContact CZ-CG1 4.25Å; F165-I244 VanDerWaalsContact CZ-O 3.26Å; F165-I244 WeakPolarHBondContact CZ-O 3.39Å; F225-I244 HydrophobicContact CB-CD1 3.82Å; F225-I244 HydrophobicContact CD1-CD1 3.82Å; F225-I244 HydrophobicContact CD2-CD1 3.65Å; F225-I244 HydrophobicContact CE1-CD1 4.3Å; F225-I244 HydrophobicContact CE2-CD1 4.15Å; F225-I244 HydrophobicContact CG-CD1 3.46Å; F225-I244 VanDerWaalsContact CG-CD1 3.46Å; F225-I244 HydrophobicContact CZ-CD1 4.46Å; T240-I244 WeakPolarHBondContact O-CB 3.46Å; T240-I244 VanDerWaalsContact O-CG2 3.32Å; T240-I244 WeakPolarHBondContact O-CG2 3.41Å; T240-I244 PolarHBondContact O-N 3.49Å; I241-I244 PolarHBondContact O-N 2.83Å; I244-T246 VanDerWaalsContact C-N 3.26Å; I244-T246 PolarHBondContact O-N 3.17Å; I244-F247 WeakPolarHBondContact O-CB 3.27Å; I244-F247 PolarHBondContact O-N 3.03Å
245H98.1Very high98.2Very high16 Ų1636.9 Ų36.97%0.07420%0.195CC..Hα-helixtrans-72.1-20.5-179.585.7-75.9000113F125 I241 N242F125-H245 HydrophobicContact CE2-CB 4.16Å; I241-H245 PolarHBondContact O-N 3.42Å; I241-H245 VanDerWaalsContact O-N 3.07Å; I241-H245 PolarHBondContact O-ND1 3.18Å; N242-H245 WeakPolarHBondContact CA-ND1 3.34Å; N242-H245 PolarHBondContact O-CE1 2.7Å; N242-H245 PolarHBondContact O-ND1 3.23Å
246T98.3Very high98.2Very high19 Ų1936.1 Ų36.112%0.11718%0.176CC..Hα-helixtrans-95-4.9176.455.20000113.2V6 N242 L243 I244 R248 D249 Y250V6-T246 HydrophobicContact CG2-CG2 4.33Å; N242-T246 PolarHBondContact O-OG1 3.09Å; L243-T246 PolarHBondContact O-N 3.39Å; L243-T246 PolarHBondContact O-OG1 3.24Å; L243-T246 VanDerWaalsContact O-OG1 3.1Å; I244-T246 VanDerWaalsContact C-N 3.26Å; I244-T246 PolarHBondContact O-N 3.17Å; T246-R248 PolarHBondContact O-N 3.23Å; T246-D249 PolarHBondContact O-N 3.2Å; T246-Y250 WeakPolarHBondContact O-CB 3.09Å; T246-Y250 PolarHBondContact O-N 2.9Å
247F98.6Very high98.3Very high11 Ų1137.1 Ų37.15%0.04818%0.181CC..Hα-helixtrans-57.1-45.1-170.8168.2-101.6000113.2F165 M182 F185 I223 F225 L243 I244 D249 Y250 L251F165-F247 AromaticContact CD2-CD1 3.88Å; F165-F247 HydrophobicContact CD2-CD1 3.88Å; F165-F247 HydrophobicContact CD2-CE1 4.48Å; F165-F247 HydrophobicContact CE2-CB 4.47Å; F165-F247 HydrophobicContact CE2-CD1 4.11Å; F165-F247 HydrophobicContact CG-CD1 4.38Å; M182-F247 HydrophobicContact CE-CZ 3.96Å; M182-F247 HydrophobicContact SD-CZ 4.2Å; F185-F247 HydrophobicContact CE1-CE2 4.28Å; F185-F247 HydrophobicContact CE2-CE2 4.36Å; F185-F247 HydrophobicContact CZ-CE2 4.1Å; I223-F247 HydrophobicContact CB-CE1 3.96Å; I223-F247 HydrophobicContact CB-CZ 4.42Å; I223-F247 HydrophobicContact CG1-CE1 3.99Å; I223-F247 HydrophobicContact CG1-CZ 4.28Å; I223-F247 HydrophobicContact CG2-CE1 3.73Å; I223-F247 HydrophobicContact CG2-CZ 3.8Å; F225-F247 AromaticContact CE2-CD1 3.62Å; F225-F247 HydrophobicContact CE2-CD1 3.62Å; F225-F247 AromaticContact CE2-CD2 3.76Å; F225-F247 HydrophobicContact CE2-CD2 3.76Å; F225-F247 AromaticContact CE2-CE1 3.67Å; F225-F247 HydrophobicContact CE2-CE1 3.67Å; F225-F247 AromaticContact CE2-CE2 3.79Å; F225-F247 HydrophobicContact CE2-CE2 3.79Å; F225-F247 AromaticContact CE2-CG 3.67Å; F225-F247 HydrophobicContact CE2-CG 3.67Å; F225-F247 AromaticContact CE2-CZ 3.75Å; F225-F247 HydrophobicContact CE2-CZ 3.75Å; F225-F247 HydrophobicContact CZ-CD1 4.24Å; F225-F247 AromaticContact CZ-CD2 3.49Å; F225-F247 HydrophobicContact CZ-CD2 3.49Å; F225-F247 VanDerWaalsContact CZ-CD2 3.49Å; F225-F247 HydrophobicContact CZ-CE1 4.31Å; F225-F247 AromaticContact CZ-CE2 3.55Å; F225-F247 HydrophobicContact CZ-CE2 3.55Å; F225-F247 AromaticContact CZ-CG 3.86Å; F225-F247 HydrophobicContact CZ-CG 3.86Å; F225-F247 AromaticContact CZ-CZ 3.98Å; F225-F247 HydrophobicContact CZ-CZ 3.98Å; L243-F247 PolarHBondContact O-N 2.82Å; I244-F247 WeakPolarHBondContact O-CB 3.27Å; I244-F247 PolarHBondContact O-N 3.03Å; F247-D249 PolarHBondContact O-N 3.38Å; F247-Y250 WeakPolarHBondContact O-CB 3.27Å; F247-Y250 PolarHBondContact O-N 3.2Å; F247-L251 HydrophobicContact CZ-CB 4.42Å; F247-L251 HydrophobicContact CZ-CD2 4.27Å; F247-L251 PolarHBondContact O-N 2.93Å
248R98.1Very high98.3Very high29 Ų2936.3 Ų36.311%0.10918%0.183CC..Hα-helixtrans-60.6-49.4-178.8178.5-90.9-177-155-4.6110.9Y146 R147 E150 T246 Y250 L251 H252Y146-R248 HydrophobicContact CE2-CB 4.22Å; Y146-R248 HydrophobicContact CE2-CG 3.81Å; R147-R248 VanDerWaalsContact CD-CZ 3.46Å; R147-R248 VanDerWaalsContact NE-NH2 3.19Å; E150-R248 IonicContact OE1-CZ 2.57Å; E150-R248 IonicContact OE1-NE 3.9Å; E150-R248 PolarHBondContact OE1-NE 2.92Å; E150-R248 IonicContact OE1-NH2 3.52Å; E150-R248 PolarHBondContact OE1-NH2 3.3Å; E150-R248 IonicContact OE2-CZ 3.49Å; E150-R248 IonicContact OE2-NE 2.73Å; E150-R248 PolarHBondContact OE2-NE 3.35Å; E150-R248 IonicContact OE2-NH2 3.94Å; T246-R248 PolarHBondContact O-N 3.23Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; R248-Y250 PolarHBondContact O-N 2.89Å; R248-L251 PolarHBondContact O-N 3.35Å; R248-H252 PolarHBondContact O-CD2 3.45Å; R248-H252 VanDerWaalsContact O-CD2 3.31Å; R248-H252 PolarHBondContact O-N 3.45Å; R248-H252 VanDerWaalsContact O-N 3.1Å
249D98.1Very high98.3Very high9 Ų934.8 Ų34.85%0.04817%0.173CC..Hα-helixtrans-67-36178.8-65.8-44000111.8L4 F38 T246 F247 L251 H252 Y253L4-D249 HydrophobicContact CD1-CB 3.61Å; F38-D249 WeakPolarHBondContact CB-OD2 3.18Å; F38-D249 HydrophobicContact CD1-CB 4.36Å; F38-D249 HydrophobicContact CG-CB 4.24Å; T246-D249 PolarHBondContact O-N 3.2Å; F247-D249 PolarHBondContact O-N 3.38Å; D249-L251 PolarHBondContact O-N 3.31Å; D249-H252 PolarHBondContact O-N 3.01Å; D249-Y253 WeakPolarHBondContact O-CB 3.39Å; D249-Y253 PolarHBondContact O-N 3.36Å
250Y98.6Very high98.3Very high42 Ų4232.6 Ų32.617%0.16517%0.168CC..Hα-helixtrans-57.6-48.1173.4171.5-85.3000111.3I2 L3 F185 T246 F247 R248 Y253 H254I2-Y250 HydrophobicContact CG2-CE2 4.35Å; I2-Y250 VanDerWaalsContact O-CE2 3.27Å; I2-Y250 WeakPolarHBondContact O-CE2 3.32Å; L3-Y250 HydrophobicContact CD2-CD2 4.28Å; L3-Y250 HydrophobicContact CD2-CE2 3.88Å; F185-Y250 HydrophobicContact CE2-CE1 4.22Å; F185-Y250 HydrophobicContact CZ-CD1 4.43Å; F185-Y250 AromaticContact CZ-CE1 3.8Å; F185-Y250 HydrophobicContact CZ-CE1 3.8Å; T246-Y250 WeakPolarHBondContact O-CB 3.09Å; T246-Y250 PolarHBondContact O-N 2.9Å; F247-Y250 WeakPolarHBondContact O-CB 3.27Å; F247-Y250 PolarHBondContact O-N 3.2Å; R248-Y250 VanDerWaalsContact C-N 3.31Å; R248-Y250 PolarHBondContact O-N 2.89Å; Y250-Y253 PolarHBondContact O-N 3.44Å; Y250-H254 AromaticContact CD1-CD2 3.9Å; Y250-H254 AromaticContact CD2-CD2 3.57Å; Y250-H254 AromaticContact CD2-NE2 3.62Å; Y250-H254 AromaticContact CE1-CD2 3.57Å; Y250-H254 AromaticContact CE2-CD2 3.27Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.4Å; Y250-H254 AromaticContact CE2-NE2 3.09Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.44Å; Y250-H254 AromaticContact CG-CD2 3.88Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-NE2 3.42Å; Y250-H254 PolarHBondContact O-CD2 3.07Å; Y250-H254 PolarHBondContact O-N 3.38Å
251L98.2Very high98.3Very high1 Ų137.4 Ų37.41%0.00519%0.186CC..Hα-helixtrans-60.4-51.6178.5176.962.2000110.9F169 F181 M182 F247 R248 D249 Y253 H254 I255F169-L251 HydrophobicContact CE1-CD2 4.4Å; F169-L251 HydrophobicContact CZ-CD2 4.2Å; F181-L251 HydrophobicContact CB-CD1 3.89Å; F181-L251 HydrophobicContact CG-CD1 4.36Å; M182-L251 HydrophobicContact SD-CD2 4.05Å; F247-L251 HydrophobicContact CZ-CB 4.42Å; F247-L251 HydrophobicContact CZ-CD2 4.27Å; F247-L251 PolarHBondContact O-N 2.93Å; R248-L251 PolarHBondContact O-N 3.35Å; D249-L251 PolarHBondContact O-N 3.31Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 2.81Å; L251-H254 PolarHBondContact O-N 2.85Å; L251-I255 HydrophobicContact CD1-CD1 4.13Å; L251-I255 HydrophobicContact CD1-CG1 4.46Å; L251-I255 HydrophobicContact CG-CD1 4.04Å; L251-I255 VanDerWaalsContact O-CG1 3.31Å; L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 2.79Å
252H98.2Very high98.3Very high13 Ų1341.5 Ų41.56%0.0621%0.206CC..Hα-helixtrans-66.3-30.8-179-83.9-87.1000113.4T167 V168 R248 D249 K256T167-H252 PolarHBondContact OG1-NE2 3Å; T167-H252 VanDerWaalsContact OG1-NE2 3.09Å; V168-H252 PolarHBondContact O-CE1 3.22Å; R248-H252 PolarHBondContact O-CD2 3.45Å; R248-H252 VanDerWaalsContact O-CD2 3.31Å; R248-H252 PolarHBondContact O-N 3.45Å; R248-H252 VanDerWaalsContact O-N 3.1Å; D249-H252 PolarHBondContact O-N 3.01Å; H252-K256 WeakPolarHBondContact O-CG 3.49Å; H252-K256 PolarHBondContact O-N 3.06Å; H252-K256 PolarHBondContact O-NZ 2.96Å
253Y98.5Very high98.3Very high76 Ų7643.8 Ų43.830%0.29822%0.216SC..Hα-helixtrans-65.4-50.6172.3169.5-101.6000110.7L4 D249 Y250 L251 I255 K256 C257L4-Y253 HydrophobicContact CD2-CD1 3.94Å; L4-Y253 HydrophobicContact CD2-CD2 4.17Å; L4-Y253 HydrophobicContact CD2-CE1 4.33Å; L4-Y253 HydrophobicContact CD2-CG 3.85Å; D249-Y253 WeakPolarHBondContact O-CB 3.39Å; D249-Y253 PolarHBondContact O-N 3.36Å; Y250-Y253 PolarHBondContact O-N 3.44Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 2.81Å; Y253-I255 VanDerWaalsContact C-N 3.34Å; Y253-I255 PolarHBondContact O-N 3.14Å; Y253-K256 WeakPolarHBondContact O-CB 3.35Å; Y253-K256 PolarHBondContact O-N 2.93Å; Y253-K256 VanDerWaalsContact O-N 3.12Å; Y253-C257 PolarHBondContact O-N 3.47Å; Y253-C257 PolarHBondContact O-SG 3.2Å
254H98.6Very high98.3Very high29 Ų2943.4 Ų43.413%0.13422%0.217CC..Hα-helixtrans-69-30.7-177.9-81-63.4000113.6I2 F181 Y250 L251 C257 S258I2-H254 PolarHBondContact O-CE1 3.1Å; I2-H254 PolarHBondContact O-NE2 3.19Å; F181-H254 HydrophobicContact CE1-CB 3.82Å; F181-H254 HydrophobicContact CZ-CB 3.96Å; Y250-H254 AromaticContact CD1-CD2 3.9Å; Y250-H254 AromaticContact CD2-CD2 3.57Å; Y250-H254 AromaticContact CD2-NE2 3.62Å; Y250-H254 AromaticContact CE1-CD2 3.57Å; Y250-H254 AromaticContact CE2-CD2 3.27Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.4Å; Y250-H254 AromaticContact CE2-NE2 3.09Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.44Å; Y250-H254 AromaticContact CG-CD2 3.88Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-NE2 3.42Å; Y250-H254 PolarHBondContact O-CD2 3.07Å; Y250-H254 PolarHBondContact O-N 3.38Å; L251-H254 PolarHBondContact O-N 2.85Å; H254-C257 PolarHBondContact O-N 3.34Å; H254-S258 WeakPolarHBondContact O-CB 3.48Å; H254-S258 PolarHBondContact O-N 3.01Å
255I98.1Very high98.3Very high0 Ų050.2 Ų50.20%024%0.242CC..Hα-helixtrans-59.2-49169.1-70.3167.8000110F169 D174 I177 F181 L251 Y253 C257 S258 K259F169-I255 HydrophobicContact CD1-CD1 4.21Å; F169-I255 HydrophobicContact CE1-CD1 3.7Å; D174-I255 HydrophobicContact CB-CG2 4.01Å; D174-I255 WeakPolarHBondContact OD1-CG2 3.41Å; I177-I255 HydrophobicContact CB-CG2 4.32Å; I177-I255 HydrophobicContact CG2-CB 4.43Å; I177-I255 HydrophobicContact CG2-CG1 4.16Å; I177-I255 HydrophobicContact CG2-CG2 4.08Å; F181-I255 HydrophobicContact CD2-CG1 4.21Å; F181-I255 HydrophobicContact CE2-CG1 4.35Å; L251-I255 HydrophobicContact CD1-CD1 4.13Å; L251-I255 HydrophobicContact CD1-CG1 4.46Å; L251-I255 HydrophobicContact CG-CD1 4.04Å; L251-I255 VanDerWaalsContact O-CG1 3.31Å; L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 2.79Å; Y253-I255 VanDerWaalsContact C-N 3.34Å; Y253-I255 PolarHBondContact O-N 3.14Å; I255-C257 PolarHBondContact O-N 2.93Å; I255-S258 WeakPolarHBondContact O-CB 3.38Å; I255-S258 PolarHBondContact O-N 3.38Å; I255-K259 PolarHBondContact O-N 3.19Å
256K98.2Very high98.3Very high108 Ų10854.1 Ų54.147%0.4726%0.261SS..Hα-helixtrans-64.6-40.9178.5-69.1170.5-174.160.20112.1H252 Y253 S258 K259 A260H252-K256 WeakPolarHBondContact O-CG 3.49Å; H252-K256 PolarHBondContact O-N 3.06Å; H252-K256 PolarHBondContact O-NZ 2.96Å; Y253-K256 WeakPolarHBondContact O-CB 3.35Å; Y253-K256 PolarHBondContact O-N 2.93Å; Y253-K256 VanDerWaalsContact O-N 3.12Å; K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 3.28Å; K256-K259 PolarHBondContact O-N 3.48Å; K256-A260 PolarHBondContact O-N 3.34Å
257C98.3Very high98.3Very high47 Ų4760.5 Ų60.532%0.31828%0.283SS..Hα-helixtrans-62.9-39.4174.3-71.80000112.4Y253 H254 I255 A260 Y261Y253-C257 PolarHBondContact O-N 3.47Å; Y253-C257 PolarHBondContact O-SG 3.2Å; H254-C257 PolarHBondContact O-N 3.34Å; I255-C257 PolarHBondContact O-N 2.93Å; C257-A260 PolarHBondContact O-N 3.48Å; C257-Y261 PolarHBondContact O-N 3.34Å
258S98.3Very high98.3Very high38 Ų3862.6 Ų62.627%0.26630%0.302SS..Hα-helixtrans-60.4-49174-173.90000110.9H254 I255 K256 A260 Y261 I262H254-S258 WeakPolarHBondContact O-CB 3.48Å; H254-S258 PolarHBondContact O-N 3.01Å; I255-S258 WeakPolarHBondContact O-CB 3.38Å; I255-S258 PolarHBondContact O-N 3.38Å; K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 3.28Å; S258-A260 VanDerWaalsContact C-N 3.32Å; S258-A260 PolarHBondContact O-N 3.26Å; S258-Y261 WeakPolarHBondContact O-CB 3.31Å; S258-Y261 PolarHBondContact O-N 3.07Å; S258-Y261 VanDerWaalsContact O-N 3.07Å; S258-I262 WeakPolarHBondContact O-CG1 3.47Å; S258-I262 PolarHBondContact O-N 3.28Å
259K97.8Very high98.3Very high50 Ų5066.7 Ų66.722%0.21732%0.321CS..Hα-helixtrans-56.5-45174.6-66.4-161.1-66-163.50112D171 D174 I177 I255 K256 Y261 I262 H263D171-K259 IonicContact OD2-NZ 2.65Å; D171-K259 PolarHBondContact OD2-NZ 3.29Å; D174-K259 WeakPolarHBondContact OD1-CE 3.14Å; D174-K259 IonicContact OD1-NZ 2.85Å; D174-K259 PolarHBondContact OD1-NZ 3.1Å; D174-K259 IonicContact OD2-NZ 3.34Å; D174-K259 PolarHBondContact OD2-NZ 3.02Å; I177-K259 HydrophobicContact CD1-CD 3.93Å; I177-K259 HydrophobicContact CD1-CG 3.59Å; I255-K259 PolarHBondContact O-N 3.19Å; K256-K259 PolarHBondContact O-N 3.48Å; K259-Y261 VanDerWaalsContact C-N 3.31Å; K259-Y261 PolarHBondContact O-N 3.31Å; K259-I262 PolarHBondContact O-N 2.97Å; K259-H263 PolarHBondContact O-CD2 3.46Å; K259-H263 VanDerWaalsContact O-CD2 3.23Å; K259-H263 PolarHBondContact O-N 3.36Å
260A98.4Very high98.3Very high53 Ų5369.8 Ų69.844%0.43834%0.341SS..Hα-helixtrans-60.8-39.2176.700000112.5K256 C257 S258 H263 T264K256-A260 PolarHBondContact O-N 3.34Å; C257-A260 PolarHBondContact O-N 3.48Å; S258-A260 VanDerWaalsContact C-N 3.32Å; S258-A260 PolarHBondContact O-N 3.26Å; A260-H263 WeakPolarHBondContact O-CB 3.3Å; A260-H263 PolarHBondContact O-N 3.25Å; A260-T264 PolarHBondContact O-N 3.41Å
261Y98.2Very high98.3Very high120 Ų12070.4 Ų70.447%0.47135%0.351SS..Hα-helixtrans-67.7-40.6174.5177.9-107.9000112.5C257 S258 K259 H263 T264 R265C257-Y261 PolarHBondContact O-N 3.34Å; S258-Y261 WeakPolarHBondContact O-CB 3.31Å; S258-Y261 PolarHBondContact O-N 3.07Å; S258-Y261 VanDerWaalsContact O-N 3.07Å; K259-Y261 VanDerWaalsContact C-N 3.31Å; K259-Y261 PolarHBondContact O-N 3.31Å; Y261-H263 PolarHBondContact O-N 2.92Å; Y261-T264 PolarHBondContact O-N 2.86Å; Y261-T264 VanDerWaalsContact O-N 3.1Å; Y261-T264 PolarHBondContact O-OG1 3.22Å; Y261-R265 HydrophobicContact CE1-CG 4.2Å; Y261-R265 PolarHBondContact O-N 3.49Å; Y261-R265 VanDerWaalsContact O-N 3.14Å; Y261-R265 VanDerWaalsContact OH-CZ 3.27Å; Y261-R265 PolarHBondContact OH-NE 2.97Å; Y261-R265 PolarHBondContact OH-NH2 3.29Å
262I98.1Very high98.3Very high85 Ų8573.7 Ų73.744%0.43637%0.369SS..Hα-helixtrans-59.6-38.9172-62-55.9000110.6S258 K259 T264 R265 M266S258-I262 WeakPolarHBondContact O-CG1 3.47Å; S258-I262 PolarHBondContact O-N 3.28Å; K259-I262 PolarHBondContact O-N 2.97Å; I262-T264 VanDerWaalsContact C-N 3.34Å; I262-T264 PolarHBondContact O-N 2.89Å; I262-R265 WeakPolarHBondContact O-CB 3.4Å; I262-R265 PolarHBondContact O-N 3.34Å; I262-M266 HydrophobicContact CG2-CE 4.22Å; I262-M266 HydrophobicContact CG2-CG 4.35Å; I262-M266 HydrophobicContact CG2-SD 4.44Å; I262-M266 WeakPolarHBondContact O-CG 3.33Å; I262-M266 PolarHBondContact O-N 3.2Å
263H98.2Very high98.3Very high87 Ų8779 Ų7940%0.40339%0.392SS..Hα-helixtrans-59.9-39.4174.1-65.4179.2000112.8K259 A260 Y261 M266 R267K259-H263 PolarHBondContact O-CD2 3.46Å; K259-H263 VanDerWaalsContact O-CD2 3.23Å; K259-H263 PolarHBondContact O-N 3.36Å; A260-H263 WeakPolarHBondContact O-CB 3.3Å; A260-H263 PolarHBondContact O-N 3.25Å; Y261-H263 PolarHBondContact O-N 2.92Å; H263-M266 HydrophobicContact CB-CE 4.41Å; H263-M266 WeakPolarHBondContact CD2-CE 3.45Å; H263-M266 PolarHBondContact O-N 2.74Å; H263-R267 VanDerWaalsContact O-CG 3.32Å; H263-R267 WeakPolarHBondContact O-CG 3.47Å; H263-R267 PolarHBondContact O-N 3.09Å; H263-R267 PolarHBondContact O-NH1 2.98Å
264T98.4Very high98.2Very high70 Ų7079.9 Ų79.943%0.42940%0.401SS..Hα-helixtrans-67-38.717768.40000111.6A260 Y261 I262 R267 A268A260-T264 PolarHBondContact O-N 3.41Å; Y261-T264 PolarHBondContact O-N 2.86Å; Y261-T264 VanDerWaalsContact O-N 3.1Å; Y261-T264 PolarHBondContact O-OG1 3.22Å; I262-T264 VanDerWaalsContact C-N 3.34Å; I262-T264 PolarHBondContact O-N 2.89Å; T264-R267 PolarHBondContact O-N 3.36Å; T264-A268 PolarHBondContact O-N 3.5Å
265R98.5Very high98.1Very high152 Ų15283.5 Ų83.557%0.57442%0.416SS*.Hα-helixtrans-63-43.6174.4-69.6-77.3168.6178.4-5.3112.1Y261 I262 A268 K269Y261-R265 HydrophobicContact CE1-CG 4.2Å; Y261-R265 PolarHBondContact O-N 3.49Å; Y261-R265 VanDerWaalsContact O-N 3.14Å; Y261-R265 VanDerWaalsContact OH-CZ 3.27Å; Y261-R265 PolarHBondContact OH-NE 2.97Å; Y261-R265 PolarHBondContact OH-NH2 3.29Å; I262-R265 WeakPolarHBondContact O-CB 3.4Å; I262-R265 PolarHBondContact O-N 3.34Å; R265-A268 PolarHBondContact O-N 3.36Å; R265-K269 PolarHBondContact O-N 2.81Å
266M98.4Very high98.1Very high97 Ų9787.4 Ų87.448%0.47844%0.44SS..Hα-helixtrans-62.5-43.4175.6-71-168.8-64.500112.1I262 H263 A268 K269 T270I262-M266 HydrophobicContact CG2-CE 4.22Å; I262-M266 HydrophobicContact CG2-CG 4.35Å; I262-M266 HydrophobicContact CG2-SD 4.44Å; I262-M266 WeakPolarHBondContact O-CG 3.33Å; I262-M266 PolarHBondContact O-N 3.2Å; H263-M266 HydrophobicContact CB-CE 4.41Å; H263-M266 WeakPolarHBondContact CD2-CE 3.45Å; H263-M266 PolarHBondContact O-N 2.74Å; M266-A268 PolarHBondContact O-N 3Å; M266-K269 PolarHBondContact O-N 3.27Å; M266-T270 VanDerWaalsContact O-CB 3.3Å; M266-T270 WeakPolarHBondContact O-CB 3.34Å; M266-T270 PolarHBondContact O-N 3.5Å; M266-T270 PolarHBondContact O-OG1 2.87Å
267R98.5Very high98Very high153 Ų15386.6 Ų86.658%0.57744%0.44SS*.Hα-helixtrans-61-45175.9-71.8-178.9-163103.3-4.7111.9H263 T264 T270 S271H263-R267 VanDerWaalsContact O-CG 3.32Å; H263-R267 WeakPolarHBondContact O-CG 3.47Å; H263-R267 PolarHBondContact O-N 3.09Å; H263-R267 PolarHBondContact O-NH1 2.98Å; T264-R267 PolarHBondContact O-N 3.36Å; R267-T270 PolarHBondContact O-N 3Å; R267-S271 WeakPolarHBondContact O-CB 3.36Å; R267-S271 PolarHBondContact O-N 2.87Å
268A98.4Very high97.8Very high55 Ų5588.8 Ų88.846%0.45545%0.449SS..Hα-helixtrans-59.8-48.217700000111.3T264 R265 M266 T270 S271 D272T264-A268 PolarHBondContact O-N 3.5Å; R265-A268 PolarHBondContact O-N 3.36Å; M266-A268 PolarHBondContact O-N 3Å; A268-T270 PolarHBondContact O-N 3.02Å; A268-S271 WeakPolarHBondContact O-CB 3.49Å; A268-S271 PolarHBondContact O-N 3.26Å; A268-D272 PolarHBondContact O-N 3.02Å; A268-D272 VanDerWaalsContact O-N 3.09Å
269K98.4Very high97.6Very high116 Ų11696 Ų9650%0.50447%0.47SS..Hα-helixtrans-66.8-37.8-179.8-164.766.5-179.1177.90112.8R265 M266 D272 F273R265-K269 PolarHBondContact O-N 2.81Å; M266-K269 PolarHBondContact O-N 3.27Å; K269-D272 PolarHBondContact O-N 2.86Å; K269-F273 HydrophobicContact CD-CZ 4.29Å; K269-F273 HydrophobicContact CG-CD2 4.25Å; K269-F273 HydrophobicContact CG-CE2 3.68Å; K269-F273 HydrophobicContact CG-CZ 3.87Å; K269-F273 WeakPolarHBondContact O-CD2 3.44Å; K269-F273 WeakPolarHBondContact O-CG 3.33Å; K269-F273 PolarHBondContact O-N 3.48Å
270T98.5Very high97.4Very high74 Ų7497.7 Ų97.745%0.45449%0.493SS..Hα-helixtrans-62.8-43.4174.3-57.50000110.9M266 R267 A268 D272 F273 L274M266-T270 VanDerWaalsContact O-CB 3.3Å; M266-T270 WeakPolarHBondContact O-CB 3.34Å; M266-T270 PolarHBondContact O-N 3.5Å; M266-T270 PolarHBondContact O-OG1 2.87Å; R267-T270 PolarHBondContact O-N 3Å; A268-T270 PolarHBondContact O-N 3.02Å; T270-D272 VanDerWaalsContact C-N 3.27Å; T270-D272 PolarHBondContact O-N 2.68Å; T270-F273 PolarHBondContact O-N 3.02Å; T270-L274 HydrophobicContact CG2-CD1 4.31Å; T270-L274 HydrophobicContact CG2-CG 4.45Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 2.79Å
271S98.4Very high97Very high55 Ų55103 Ų10339%0.38550%0.502SS..Hα-helixtrans-56.4-43.1173.7-177.10000111.5R267 A268 L274 K275R267-S271 WeakPolarHBondContact O-CB 3.36Å; R267-S271 PolarHBondContact O-N 2.87Å; A268-S271 WeakPolarHBondContact O-CB 3.49Å; A268-S271 PolarHBondContact O-N 3.26Å; S271-L274 PolarHBondContact O-N 3.14Å; S271-K275 WeakPolarHBondContact O-CG 3.48Å; S271-K275 PolarHBondContact O-N 2.92Å
272D98.2Very high96.5Very high70 Ų70103.1 Ų103.137%0.37452%0.517SS..Hα-helixtrans-66.4-40.6177.3-67.7-21.3000112.9A268 K269 T270 K275 V276A268-D272 PolarHBondContact O-N 3.02Å; A268-D272 VanDerWaalsContact O-N 3.09Å; K269-D272 PolarHBondContact O-N 2.86Å; T270-D272 VanDerWaalsContact C-N 3.27Å; T270-D272 PolarHBondContact O-N 2.68Å; D272-K275 WeakPolarHBondContact O-CB 3.42Å; D272-K275 PolarHBondContact O-N 2.82Å; D272-K275 IonicContact OD1-NZ 3.7Å; D272-K275 PolarHBondContact OD1-NZ 3.03Å; D272-V276 WeakPolarHBondContact O-CG2 3.36Å; D272-V276 PolarHBondContact O-N 3.08Å
273F98.1Very high95.6Very high124 Ų124106.4 Ų106.454%0.54454%0.536SS..Hα-helixtrans-63.2-41173.9-67.5-37.7000112.3K269 T270 K275 V276 L277K269-F273 HydrophobicContact CD-CZ 4.29Å; K269-F273 HydrophobicContact CG-CD2 4.25Å; K269-F273 HydrophobicContact CG-CE2 3.68Å; K269-F273 HydrophobicContact CG-CZ 3.87Å; K269-F273 WeakPolarHBondContact O-CD2 3.44Å; K269-F273 WeakPolarHBondContact O-CG 3.33Å; K269-F273 PolarHBondContact O-N 3.48Å; T270-F273 PolarHBondContact O-N 3.02Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.49Å; F273-V276 WeakPolarHBondContact O-CB 3.36Å; F273-V276 PolarHBondContact O-N 3.08Å; F273-V276 VanDerWaalsContact O-N 3.13Å; F273-L277 PolarHBondContact O-N 2.98Å
274L97.5Very high94.2Very high94 Ų94106.8 Ų106.849%0.49255%0.554SS.*Hα-helixtrans-62.4-38.2174.8-68.7175.3000111.7T270 S271 V276 L277 N278T270-L274 HydrophobicContact CG2-CD1 4.31Å; T270-L274 HydrophobicContact CG2-CG 4.45Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 2.79Å; S271-L274 PolarHBondContact O-N 3.14Å; L274-V276 VanDerWaalsContact C-N 3.35Å; L274-V276 PolarHBondContact O-N 3.24Å; L274-L277 PolarHBondContact O-N 3.12Å; L274-N278 WeakPolarHBondContact O-CB 3.48Å; L274-N278 PolarHBondContact O-N 3.33Å; L274-N278 PolarHBondContact O-ND2 3.38Å
275K96.4Very high92.5Very high106 Ų106112 Ų11246%0.46157%0.573SS.*Hα-helixtrans-63.4-38.5172.8-67168.6-160.3157.20112.2S271 D272 F273 R279S271-K275 WeakPolarHBondContact O-CG 3.48Å; S271-K275 PolarHBondContact O-N 2.92Å; D272-K275 WeakPolarHBondContact O-CB 3.42Å; D272-K275 PolarHBondContact O-N 2.82Å; D272-K275 IonicContact OD1-NZ 3.7Å; D272-K275 PolarHBondContact OD1-NZ 3.03Å; F273-K275 VanDerWaalsContact C-N 3.31Å; F273-K275 PolarHBondContact O-N 3.49Å; K275-R279 WeakPolarHBondContact O-CB 3.45Å; K275-R279 VanDerWaalsContact O-CG 3.28Å; K275-R279 WeakPolarHBondContact O-CG 3.43Å; K275-R279 PolarHBondContact O-N 3.04Å; K275-R279 VanDerWaalsContact O-N 3.15Å; K275-R279 PolarHBondContact O-NE 2.95Å; K275-R279 VanDerWaalsContact O-NE 3.11Å
276V97.1Very high90.7Very high81 Ų81114.5 Ų114.549%0.49159%0.588SS.*Hα-helixtrans-65.5-46.6175.1175.20000110.4D272 F273 L274 N278 R279 A280D272-V276 WeakPolarHBondContact O-CG2 3.36Å; D272-V276 PolarHBondContact O-N 3.08Å; F273-V276 WeakPolarHBondContact O-CB 3.36Å; F273-V276 PolarHBondContact O-N 3.08Å; F273-V276 VanDerWaalsContact O-N 3.13Å; L274-V276 VanDerWaalsContact C-N 3.35Å; L274-V276 PolarHBondContact O-N 3.24Å; V276-N278 PolarHBondContact O-N 3.38Å; V276-R279 VanDerWaalsContact CG2-NH2 3.26Å; V276-R279 PolarHBondContact O-N 3.37Å; V276-A280 PolarHBondContact O-N 2.89Å; V276-A280 VanDerWaalsContact O-N 3.16Å
277L96.1Very high88.8Confident91 Ų91119 Ų11948%0.47661%0.605SS.*Hα-helixtrans-62.2-45179.6-163.4164.7000111.4F273 L274 R279 A280 R281F273-L277 PolarHBondContact O-N 2.98Å; L274-L277 PolarHBondContact O-N 3.12Å; L277-R279 VanDerWaalsContact C-N 3.29Å; L277-R279 PolarHBondContact O-N 3.32Å; L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 3.05Å; L277-R281 PolarHBondContact O-N 3.13Å
278N94Very high86.9Confident93 Ų93117.3 Ų117.350%0.49760%0.604SS.*Hα-helixtrans-62.1-36.7177-73.8-24.4000112.3L274 V276 A280 R281L274-N278 WeakPolarHBondContact O-CB 3.48Å; L274-N278 PolarHBondContact O-N 3.33Å; L274-N278 PolarHBondContact O-ND2 3.38Å; V276-N278 PolarHBondContact O-N 3.38Å; N278-A280 PolarHBondContact O-N 3.13Å; N278-R281 WeakPolarHBondContact O-CB 3.46Å; N278-R281 PolarHBondContact O-N 3.42Å
279R93.5Very high85.1Confident191 Ų191122.2 Ų122.272%0.72162%0.619SS**Hα-helixtrans-68-21.7174-77.3-179-72.7169.3-4.9113.8K275 V276 L277K275-R279 WeakPolarHBondContact O-CB 3.45Å; K275-R279 VanDerWaalsContact O-CG 3.28Å; K275-R279 WeakPolarHBondContact O-CG 3.43Å; K275-R279 PolarHBondContact O-N 3.04Å; K275-R279 VanDerWaalsContact O-N 3.15Å; K275-R279 PolarHBondContact O-NE 2.95Å; K275-R279 VanDerWaalsContact O-NE 3.11Å; V276-R279 VanDerWaalsContact CG2-NH2 3.26Å; V276-R279 PolarHBondContact O-N 3.37Å; L277-R279 VanDerWaalsContact C-N 3.29Å; L277-R279 PolarHBondContact O-N 3.32Å
280A93.8Very high83.2Confident84 Ų84122.5 Ų122.569%0.69462%0.621SS**Hα-helixtrans-84.7-11.4176.200000112.9V276 L277 N278V276-A280 PolarHBondContact O-N 2.89Å; V276-A280 VanDerWaalsContact O-N 3.16Å; L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 3.05Å; N278-A280 PolarHBondContact O-N 3.13Å
281R90.4Very high81.5Confident165 Ų165121.5 Ų121.562%0.62361%0.614SS**SBendtrans-73134.7170.9-66.4-175.9173.3-173.6-2.3108.3L277 N278 D283L277-R281 PolarHBondContact O-N 3.13Å; N278-R281 WeakPolarHBondContact O-CB 3.46Å; N278-R281 PolarHBondContact O-N 3.42Å; R281-D283 PolarHBondContact O-N 3.03Å
282P87.2Confident79.7Confident122 Ų122127.7 Ų127.779%0.79264%0.641SS**PPolyproline II helixtrans-53.4132.4168.6-21.131.4000108.7A284P282-A284 PolarHBondContact O-N 3.26Å
283D79.5Confident78.4Confident155 Ų155130 Ų13083%0.82966%0.658SS**PPolyproline II helixtrans-52.9136.3168.3-72.9-35.2000107.6R281 E285R281-D283 PolarHBondContact O-N 3.03Å; D283-E285 PolarHBondContact O-N 3.29Å
284A68.9Low76.5Confident94 Ų94126.2 Ų126.278%0.77765%0.654SS**PPolyproline II helixtrans-52.3122.5169.300000106.5P282 K286P282-A284 PolarHBondContact O-N 3.26Å; A284-K286 PolarHBondContact O-N 3.33Å
285E62.8Low74.7Confident180 Ų180129.3 Ų129.384%0.84166%0.664SS**  trans-43.3124.1176-79-174.9160.700106.9D283 K287D283-E285 PolarHBondContact O-N 3.29Å; E285-K287 PolarHBondContact O-N 3.4Å
286K61Low73Confident204 Ų204127.2 Ų127.289%0.88766%0.66SS**  trans-54.1100169.6-78.3-178.1179.1177.20104.9A284 E288A284-K286 PolarHBondContact O-N 3.33Å; K286-E288 VanDerWaalsContact C-N 3.33Å; K286-E288 PolarHBondContact O-N 3.24Å
287K57.6Low71.2Confident192 Ų192131 Ų13184%0.83567%0.67SS**  trans-54.7108.7171.3-93.4-174.1175.3179.60104.3E285 M289E285-K287 PolarHBondContact O-N 3.4Å; K287-M289 PolarHBondContact O-N 3.22Å
288E58.3Low69.1Low118 Ų118132 Ų13255%0.55168%0.684SS**  trans-50.8109.4168.4-85.3-170160.200105.9K286 K290 T296K286-E288 VanDerWaalsContact C-N 3.33Å; K286-E288 PolarHBondContact O-N 3.24Å; E288-K290 VanDerWaalsContact C-N 3.29Å; E288-K290 HydrophobicContact CB-CG 4.32Å; E288-K290 PolarHBondContact O-N 3.16Å; E288-K290 WeakPolarHBondContact OE2-CE 2.92Å; E288-K290 IonicContact OE2-NZ 2.7Å; E288-K290 PolarHBondContact OE2-NZ 3.15Å; E288-T296 HydrophobicContact CB-CG2 3.93Å; E288-T296 HydrophobicContact CG-CG2 3.68Å; E288-T296 WeakPolarHBondContact OE1-CG2 3.28Å
289M60.5Low67.3Low158 Ų158133.2 Ų133.278%0.77870%0.7SS**  trans-65.9100.9171.3-72.5-167.5173.600105.7K287 F297K287-M289 PolarHBondContact O-N 3.22Å; M289-F297 WeakPolarHBondContact O-CD2 3.48Å
290K59.5Low64.8Low122 Ų122138.7 Ų138.753%0.5372%0.721SS.*BIsolated β-bridgetrans-92.9137173.1-68.8-175.9-179.6179.20108.3E288 K295E288-K290 VanDerWaalsContact C-N 3.29Å; E288-K290 HydrophobicContact CB-CG 4.32Å; E288-K290 PolarHBondContact O-N 3.16Å; E288-K290 WeakPolarHBondContact OE2-CE 2.92Å; E288-K290 IonicContact OE2-NZ 2.7Å; E288-K290 PolarHBondContact OE2-NZ 3.15Å; K290-K295 WeakPolarHBondContact CA-O 3.49Å
291T63.7Low63.4Low52 Ų52141.5 Ų141.532%0.31972%0.722SS.*  trans-63162.6167.858.10000110T293 G294 K295 F297T291-T293 PolarHBondContact O-N 3.11Å; T291-T293 PolarHBondContact OG1-OG1 2.85Å; T291-T293 VanDerWaalsContact OG1-OG1 3.08Å; T291-G294 PolarHBondContact O-N 2.81Å; T291-K295 PolarHBondContact N-O 3.21Å; T291-K295 VanDerWaalsContact N-O 3.08Å; T291-K295 PolarHBondContact OG1-N 3.38Å; T291-K295 PolarHBondContact OG1-O 3.03Å; T291-F297 HydrophobicContact CG2-CE2 3.71Å; T291-F297 HydrophobicContact CG2-CZ 4.05Å
292I60.3Low62Low186 Ų186140.2 Ų140.295%0.95473%0.728SS**THydrogen-bonded Turntrans-50.9-23.6173.7-86.8171.7000112.9
293T69.3Low60.6Low117 Ų117141.2 Ų141.272%0.71872%0.724SS**THydrogen-bonded Turntrans-94.57.7177.651.30000114.7T291T291-T293 PolarHBondContact O-N 3.11Å; T291-T293 PolarHBondContact OG1-OG1 2.85Å; T291-T293 VanDerWaalsContact OG1-OG1 3.08Å
294G60Low59.5Low46 Ų46140.4 Ų140.447%0.47472%0.718SS.*  trans82.810.2172.100000116.3T291T291-G294 PolarHBondContact O-N 2.81Å
295K59.8Low58.9Low158 Ų158143.3 Ų143.369%0.68771%0.714SS**  trans-86.1132.8177-69.5-173.9178.1-179.30111.2K290 T291K290-K295 WeakPolarHBondContact CA-O 3.49Å; T291-K295 PolarHBondContact N-O 3.21Å; T291-K295 VanDerWaalsContact N-O 3.08Å; T291-K295 PolarHBondContact OG1-N 3.38Å; T291-K295 PolarHBondContact OG1-O 3.03Å
296T59.7Low58.6Low62 Ų62140.9 Ų140.938%0.3871%0.706SS.*BIsolated β-bridgetrans-84.2135.5178-400000110.9E288 S298E288-T296 HydrophobicContact CB-CG2 3.93Å; E288-T296 HydrophobicContact CG-CG2 3.68Å; E288-T296 WeakPolarHBondContact OE1-CG2 3.28Å; T296-S298 PolarHBondContact O-N 2.65Å
297F58.9Low58.4Low161 Ų161136.4 Ų136.471%0.70669%0.693SS**  trans-74.1103.6169.7-76.1-88.3000110M289 T291M289-F297 WeakPolarHBondContact O-CD2 3.48Å; T291-F297 HydrophobicContact CG2-CE2 3.71Å; T291-F297 HydrophobicContact CG2-CZ 4.05Å
298S53.4Low58.5Low111 Ų111132.1 Ų132.178%0.77668%0.682SS**  trans-90.4121.116471.20000109.2T296 R300T296-S298 PolarHBondContact O-N 2.65Å; S298-R300 PolarHBondContact O-N 3.46Å
299S54.5Low58.5Low119 Ų119133.3 Ų133.383%0.83269%0.693SS**  trans-69.6126.8161.6-170.60000107.9
300R42.6Very low58.3Low307 Ų307131 Ų131100%1.15869%0.685SS**  trans-69.30157.5-106.6-178.8-178.7179.10.5109.8S298S298-R300 PolarHBondContact O-N 3.46Å

Retrieved 300 of 300 residues in 142.6 ms (Link to these results)

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