PCNA_HUMAN Loading...

DNA sliding clamp PCNA

Confers DNA tethering and processivity to DNA polymerases and other proteins1,2,3. Auxiliary protein of DNA polymerase delta and epsilon, is involved in the control of DNA replication by increasing the polymerases' processivity during elongation of the leading strand4. Induces a robust stimulatory effect on the 3'-5' exonuclease and 3'-phosphodiesterase, but not apurinic-apyrimidinic (AP) endonuclease, APEX2 activities. Has to be loaded onto DNA in order to be able to stimulate APEX2. Plays a key role in DNA damage response (DDR) by being conveniently positioned at the replication fork to coordinate DNA replication with DNA repair and DNA damage tolerance pathways5. Acts as a loading platform to recruit DDR proteins that allow completion of DNA replication after DNA damage and promote postreplication repair: monoubiquitinated PCNA leads to recruitment of translesion (TLS) polymerases, while 'Lys-63'-linked polyubiquitination of PCNA is involved in error-free pathway and employs recombination mechanisms to synthesize across the lesion6.

AlphaFold DB , UniProt , Accession P12004, Species HUMAN (Homo sapiens, Human), Gene PCNA, Length 261 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
1M92Very high95.4Very high58 Ų5835.8 Ų35.829%0.28618%0.181SC..  0145.50176.5-179.8-84.700110D63 E93 D94M1-D63 WeakPolarHBondContact CB-OD2 3.17Å; M1-D63 PolarHBondContact N-OD2 3.36Å; M1-D63 PolarHBondContact O-N 2.82Å; M1-E93 WeakPolarHBondContact CE-OE1 3.45Å; M1-D94 VanDerWaalsContact N-CG 3.25Å; M1-D94 PolarHBondContact N-OD1 3.07Å; M1-D94 PolarHBondContact N-OD2 2.99Å
2F96.9Very high95.4Very high2 Ų233.4 Ų33.41%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-110.6131.8168.4166.1-121.6000110.1A4 I30 V35 Y60 R61 L66 M68 L90 R91 A92F2-A4 HydrophobicContact CE2-CB 3.59Å; F2-A4 HydrophobicContact CZ-CB 3.57Å; F2-I30 HydrophobicContact CB-CG2 4.45Å; F2-I30 HydrophobicContact CD1-CG1 4.44Å; F2-I30 HydrophobicContact CD1-CG2 4.5Å; F2-I30 HydrophobicContact CD2-CG2 3.28Å; F2-I30 HydrophobicContact CE1-CD1 4.45Å; F2-I30 HydrophobicContact CE1-CG1 4.4Å; F2-I30 HydrophobicContact CE2-CG2 3.47Å; F2-I30 VanDerWaalsContact CE2-CG2 3.47Å; F2-I30 HydrophobicContact CG-CG2 3.84Å; F2-I30 HydrophobicContact CZ-CD1 4.21Å; F2-I30 HydrophobicContact CZ-CG1 4.41Å; F2-I30 HydrophobicContact CZ-CG2 4.18Å; F2-V35 HydrophobicContact CZ-CG2 4.36Å; F2-Y60 AromaticContact CE2-CE2 3.94Å; F2-Y60 HydrophobicContact CE2-CE2 3.94Å; F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.39Å; F2-L66 HydrophobicContact CB-CD2 4.34Å; F2-M68 HydrophobicContact CD1-CE 4.08Å; F2-M68 HydrophobicContact CD1-SD 4.21Å; F2-M68 HydrophobicContact CE1-CE 3.81Å; F2-M68 HydrophobicContact CE1-SD 4.46Å; F2-L90 HydrophobicContact CE1-CB 3.92Å; F2-L90 HydrophobicContact CZ-CB 4.26Å; F2-R91 WeakPolarHBondContact O-CA 3.48Å; F2-A92 HydrophobicContact CB-CB 4.39Å; F2-A92 HydrophobicContact CD1-CB 4.13Å; F2-A92 PolarHBondContact N-O 3.1Å; F2-A92 PolarHBondContact O-N 3.42Å
3E98Very high95.4Very high36 Ų3633.7 Ų33.717%0.16817%0.168CC..EExtended strand (participates in β ladder)trans-144.2126.6170.2177.7167.5-167.100110.1Y60 R61 T89 L90 R91E3-Y60 CarbonylContact O-C 3.55Å; E3-Y60 WeakPolarHBondContact O-CA 3.32Å; E3-R61 HydrophobicContact CB-CB 4.42Å; E3-R61 PolarHBondContact N-O 3.41Å; E3-R61 PolarHBondContact O-N 2.96Å; E3-T89 HydrophobicContact CG-CG2 4.05Å; E3-L90 CarbonylContact C-O 3.49Å; E3-L90 VanDerWaalsContact CA-O 3.3Å; E3-L90 WeakPolarHBondContact CA-O 3.37Å; E3-R91 HydrophobicContact CB-CG 4.23Å; E3-R91 VanDerWaalsContact CD-NE 3.34Å; E3-R91 HydrophobicContact CG-CG 3.97Å; E3-R91 IonicContact OE1-CZ 3.26Å; E3-R91 VanDerWaalsContact OE1-CZ 3.26Å; E3-R91 IonicContact OE1-NE 2.95Å; E3-R91 PolarHBondContact OE1-NE 2.87Å; E3-R91 IonicContact OE1-NH2 2.74Å; E3-R91 PolarHBondContact OE1-NH2 2.74Å; E3-R91 IonicContact OE2-NE 3.8Å
4A98.1Very high95.5Very high1 Ų137.1 Ų37.11%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-135119.2175.500000110.7F2 F57 T59 Y60 T89 L90F2-A4 HydrophobicContact CE2-CB 3.59Å; F2-A4 HydrophobicContact CZ-CB 3.57Å; A4-F57 HydrophobicContact CB-CD1 3.82Å; A4-F57 HydrophobicContact CB-CE1 3.89Å; A4-F57 HydrophobicContact CB-CG 4.34Å; A4-F57 HydrophobicContact CB-CZ 4.47Å; A4-T59 CarbonylContact C-O 3.56Å; A4-T59 WeakPolarHBondContact CA-O 3.31Å; A4-Y60 HydrophobicContact CB-CD2 3.79Å; A4-Y60 HydrophobicContact CB-CE2 3.95Å; A4-T89 CarbonylContact O-C 3.51Å; A4-T89 WeakPolarHBondContact O-CA 3.33Å; A4-L90 PolarHBondContact N-O 3.41Å; A4-L90 PolarHBondContact O-N 3.01Å
5R97.8Very high95.6Very high51 Ų5134.6 Ų34.619%0.19217%0.169CC..EExtended strand (participates in β ladder)trans-107.4116.9-178.4-175.9175-171.6-80.3-1.9110.8F57 D58 T59 I87 T89 E104R5-F57 WeakPolarHBondContact O-CB 3.34Å; R5-D58 IonicContact CZ-OD2 3.67Å; R5-D58 IonicContact NH1-OD2 2.68Å; R5-D58 PolarHBondContact NH1-OD2 2.84Å; R5-D58 PolarHBondContact O-N 2.94Å; R5-T59 PolarHBondContact N-O 3.08Å; R5-I87 HydrophobicContact CG-CG2 3.83Å; R5-T89 HydrophobicContact CB-CG2 4.34Å; R5-E104 IonicContact NE-OE1 3.96Å
6L96.2Very high95.6Very high10 Ų1032.5 Ų32.55%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-110.5111.6-179.2-167.867.7000110.1Q8 I11 L12 F57 I87 I88 M244L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 WeakPolarHBondContact CD2-O 3.47Å; L6-Q8 PolarHBondContact O-N 3.03Å; L6-I11 HydrophobicContact CD2-CB 4.04Å; L6-I11 HydrophobicContact CD2-CG2 4.45Å; L6-L12 HydrophobicContact CD2-CB 4.21Å; L6-F57 HydrophobicContact CB-CD1 4.13Å; L6-F57 HydrophobicContact CB-CE1 4.36Å; L6-F57 HydrophobicContact CD1-CD1 3.99Å; L6-F57 HydrophobicContact CD1-CE1 4.18Å; L6-I87 WeakPolarHBondContact O-CA 3.3Å; L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.2Å; L6-M244 HydrophobicContact CD1-CE 3.69Å; L6-M244 HydrophobicContact CD1-SD 3.96Å
7V95Very high95.6Very high74 Ų7434.6 Ų34.645%0.44817%0.168SC..SBendtrans-63.8-40.3-179.81750000111.3G9 D58 I87V7-G9 PolarHBondContact O-N 3.04Å; V7-D58 HydrophobicContact CG2-CB 3.6Å; V7-I87 HydrophobicContact CG1-CG1 4.49Å
8Q91.2Very high95.7Very high120 Ų12032.8 Ų32.856%0.56116%0.16SC*.SBendtrans-93.271.8174-67.5-176.1-7.800110.4L6 S10 I11L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 WeakPolarHBondContact CD2-O 3.47Å; L6-Q8 PolarHBondContact O-N 3.03Å; Q8-S10 PolarHBondContact O-N 2.83Å; Q8-I11 HydrophobicContact CB-CD1 3.89Å; Q8-I11 HydrophobicContact CB-CG1 4.2Å; Q8-I11 WeakPolarHBondContact O-CB 3.32Å; Q8-I11 PolarHBondContact O-N 3.46Å
9G92.9Very high95.7Very high0 Ų031.1 Ų31.10%015%0.152CC..THydrogen-bonded Turntrans-55.5-26.4-176.800000114.7V7 I11 L12 D86 I88V7-G9 PolarHBondContact O-N 3.04Å; G9-I11 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact O-N 3.16Å; G9-L12 PolarHBondContact O-N 2.81Å; G9-L12 VanDerWaalsContact O-N 3.11Å; G9-D86 VanDerWaalsContact CA-O 3.29Å; G9-D86 WeakPolarHBondContact CA-O 3.41Å; G9-D86 PolarHBondContact N-O 2.94Å; G9-D86 VanDerWaalsContact N-O 3.15Å; G9-I88 WeakPolarHBondContact O-CD1 3.44Å
10S95.2Very high95.6Very high26 Ų2631 Ų3118%0.18215%0.15CC..Hα-helixtrans-59.9-23175.659.80000114.5Q8 L12 K13 K14 N84Q8-S10 PolarHBondContact O-N 2.83Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-K13 WeakPolarHBondContact O-CB 3.19Å; S10-K13 PolarHBondContact O-N 3.1Å; S10-K14 VanDerWaalsContact O-CG 3.31Å; S10-K14 WeakPolarHBondContact O-CG 3.34Å; S10-K14 PolarHBondContact O-N 3.02Å; S10-N84 VanDerWaalsContact CB-O 3.3Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 2.84Å
11I95.9Very high95.4Very high16 Ų1633 Ų338%0.08216%0.162CC..Hα-helixtrans-59.5-47.7173.6-68.3172.9000110.2L6 Q8 G9 K13 K14 V15 I241 M244L6-I11 HydrophobicContact CD2-CB 4.04Å; L6-I11 HydrophobicContact CD2-CG2 4.45Å; Q8-I11 HydrophobicContact CB-CD1 3.89Å; Q8-I11 HydrophobicContact CB-CG1 4.2Å; Q8-I11 WeakPolarHBondContact O-CB 3.32Å; Q8-I11 PolarHBondContact O-N 3.46Å; G9-I11 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact O-N 3.16Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.99Å; I11-K14 WeakPolarHBondContact O-CB 3.36Å; I11-K14 PolarHBondContact O-N 3.18Å; I11-K14 VanDerWaalsContact O-N 3.12Å; I11-V15 HydrophobicContact CG2-CG2 4.33Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.41Å; I11-I241 HydrophobicContact CG2-CG2 3.43Å; I11-I241 VanDerWaalsContact CG2-CG2 3.43Å; I11-M244 HydrophobicContact CD1-SD 3.9Å; I11-M244 HydrophobicContact CG2-SD 3.9Å
12L95.2Very high95.5Very high7 Ų731 Ų314%0.03715%0.152CC..Hα-helixtrans-63.5-37.2-179.3-169.464.2000111.6L6 G9 S10 V15 L16 W28 M75 L79 I88 L90L6-L12 HydrophobicContact CD2-CB 4.21Å; G9-L12 PolarHBondContact O-N 2.81Å; G9-L12 VanDerWaalsContact O-N 3.11Å; S10-L12 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 2.76Å; L12-L16 PolarHBondContact O-N 2.87Å; L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.84Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-L79 HydrophobicContact CB-CD1 4.33Å; L12-L79 HydrophobicContact CD2-CD1 4Å; L12-L79 HydrophobicContact CD2-CD2 3.95Å; L12-L79 HydrophobicContact CG-CD1 3.7Å; L12-I88 HydrophobicContact CD2-CG2 4.05Å; L12-L90 HydrophobicContact CD2-CD1 4.03Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.33Å
13K95.8Very high95.4Very high37 Ų3731.1 Ų31.116%0.16115%0.153CC..Hα-helixtrans-58.8-49.2173-59.6175.372175.30110.8S10 I11 L16 E17 L79 A82 N84S10-K13 WeakPolarHBondContact O-CB 3.19Å; S10-K13 PolarHBondContact O-N 3.1Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.99Å; K13-L16 PolarHBondContact O-N 2.98Å; K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 2.88Å; K13-L79 VanDerWaalsContact CE-O 3.31Å; K13-L79 WeakPolarHBondContact CE-O 3.5Å; K13-L79 HydrophobicContact CG-CB 4.14Å; K13-A82 PolarHBondContact NZ-O 3.18Å; K13-N84 PolarHBondContact NZ-OD1 3.12Å
14K96.6Very high95.1Very high81 Ų8134.7 Ų34.735%0.35217%0.174SC..Hα-helixtrans-64.3-40.2179.9-68.9168.5176.2-170.70112.1S10 I11 E17 A18 P220 L221S10-K14 VanDerWaalsContact O-CG 3.31Å; S10-K14 WeakPolarHBondContact O-CG 3.34Å; S10-K14 PolarHBondContact O-N 3.02Å; I11-K14 WeakPolarHBondContact O-CB 3.36Å; I11-K14 PolarHBondContact O-N 3.18Å; I11-K14 VanDerWaalsContact O-N 3.12Å; K14-E17 PolarHBondContact O-N 3.07Å; K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.63Å; K14-P220 HydrophobicContact CD-CB 4.16Å; K14-P220 WeakPolarHBondContact CD-O 3.48Å; K14-P220 WeakPolarHBondContact CE-O 3.42Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.3Å; K14-L221 HydrophobicContact CB-CD2 3.43Å; K14-L221 VanDerWaalsContact CB-CD2 3.43Å; K14-L221 HydrophobicContact CB-CG 4.02Å; K14-L221 HydrophobicContact CD-CD2 4.29Å
15V97.1Very high94.9Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-58.7-50175.3168.40000110.2I11 L12 E17 A18 L19 L50 L221 I241I11-V15 HydrophobicContact CG2-CG2 4.33Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.41Å; L12-V15 PolarHBondContact O-N 2.76Å; V15-E17 PolarHBondContact O-N 2.93Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-A18 VanDerWaalsContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.84Å; V15-L50 HydrophobicContact CG1-CD1 3.91Å; V15-L50 HydrophobicContact CG1-CD2 3.57Å; V15-L50 HydrophobicContact CG1-CG 4.39Å; V15-L50 HydrophobicContact CG2-CD1 4.29Å; V15-L221 HydrophobicContact CG2-CD1 4.33Å; V15-L221 HydrophobicContact CG2-CD2 3.82Å; V15-I241 HydrophobicContact CG2-CD1 3.8Å
16L96.3Very high94.8Very high1 Ų136.6 Ų36.61%0.00519%0.185CC..Hα-helixtrans-65.5-38.1179.5-68.6-158.2000113.5L12 K13 A18 L19 K20 W28 L72 M75 L79L12-L16 PolarHBondContact O-N 2.87Å; K13-L16 PolarHBondContact O-N 2.98Å; L16-A18 PolarHBondContact O-N 2.82Å; L16-L19 PolarHBondContact O-N 2.77Å; L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 WeakPolarHBondContact O-CG 3.1Å; L16-K20 PolarHBondContact O-N 3.02Å; L16-W28 HydrophobicContact CD2-CH2 4.16Å; L16-W28 HydrophobicContact CD2-CZ2 3.62Å; L16-L72 HydrophobicContact CD2-CD2 4.2Å; L16-M75 HydrophobicContact CD1-CB 3.6Å; L16-M75 HydrophobicContact CD1-CG 3.52Å; L16-M75 HydrophobicContact CD1-SD 3.68Å; L16-M75 HydrophobicContact CD2-SD 4.2Å; L16-M75 HydrophobicContact CG-SD 4.46Å; L16-L79 HydrophobicContact CD1-CD1 3.39Å; L16-L79 HydrophobicContact CD1-CG 4.24Å; L16-L79 HydrophobicContact CG-CD1 3.8Å
17E95.1Very high94.8Very high68 Ų6836.4 Ų36.432%0.31819%0.185SC..Hα-helixtrans-62.6-30.5174.4-69.5-62.4126.200112.4K13 K14 V15 K20 S76K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 2.88Å; K14-E17 PolarHBondContact O-N 3.07Å; V15-E17 PolarHBondContact O-N 2.93Å; E17-K20 IonicContact OE1-NZ 3.66Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; E17-K20 VanDerWaalsContact OE2-CE 3.29Å; E17-K20 WeakPolarHBondContact OE2-CE 3.29Å; E17-K20 IonicContact OE2-NZ 3.8Å; E17-K20 PolarHBondContact OE2-NZ 2.87Å; E17-S76 PolarHBondContact OE1-OG 3.47Å
18A97.1Very high94.8Very high3 Ų333 Ų333%0.02516%0.164CC..Hα-helixtrans-77.4-19.9176.900000113.8K14 V15 L16 A218 L221 L247 Y249K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.63Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-A18 VanDerWaalsContact O-N 3.12Å; L16-A18 PolarHBondContact O-N 2.82Å; A18-A218 HydrophobicContact CB-CB 3.89Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A18-L247 HydrophobicContact CB-CD2 3.73Å; A18-Y249 WeakPolarHBondContact CB-OH 3.33Å; A18-Y249 PolarHBondContact O-OH 2.82Å
19L96.9Very high95Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-103.4-42.8-174.8-67.3178.2000113.8V15 L16 D21 L22 I23 L37 V48 L50 L72 L247V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.84Å; L16-L19 PolarHBondContact O-N 2.77Å; L19-D21 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 2.94Å; L19-I23 HydrophobicContact CB-CD1 4.32Å; L19-I23 HydrophobicContact CB-CG1 4.23Å; L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.48Å; L19-L37 HydrophobicContact CD1-CD1 4.32Å; L19-V48 HydrophobicContact CD2-CB 4.28Å; L19-V48 HydrophobicContact CD2-CG1 4.05Å; L19-V48 HydrophobicContact CD2-CG2 3.36Å; L19-L50 HydrophobicContact CD1-CD2 4.35Å; L19-L72 HydrophobicContact CB-CD1 3.93Å; L19-L247 HydrophobicContact CD2-CD1 3.76Å; L19-L247 HydrophobicContact CD2-CD2 4.38Å
20K92.8Very high95.2Very high28 Ų2829.1 Ų29.112%0.12215%0.147CC..THydrogen-bonded Turntrans-60.8-21.2-16271-178.2-175.6-177.60116L16 E17 I23 L72L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 WeakPolarHBondContact O-CG 3.1Å; L16-K20 PolarHBondContact O-N 3.02Å; E17-K20 IonicContact OE1-NZ 3.66Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; E17-K20 VanDerWaalsContact OE2-CE 3.29Å; E17-K20 WeakPolarHBondContact OE2-CE 3.29Å; E17-K20 IonicContact OE2-NZ 3.8Å; E17-K20 PolarHBondContact OE2-NZ 2.87Å; K20-I23 CarbonylContact C-O 3.58Å; K20-I23 WeakPolarHBondContact CA-O 3.26Å; K20-L72 HydrophobicContact CB-CB 4.34Å
21D91.6Very high95.2Very high75 Ų7529 Ų2940%0.40115%0.145SC..THydrogen-bonded Turntrans-93.8-11.4-179.4-63.1-45.2000112.3L19 F214 K217L19-D21 PolarHBondContact O-N 2.8Å; D21-F214 HydrophobicContact CB-CD1 4.42Å; D21-K217 HydrophobicContact CB-CD 4.47Å; D21-K217 WeakPolarHBondContact OD2-CD 2.9Å; D21-K217 IonicContact OD2-NZ 3.26Å; D21-K217 PolarHBondContact OD2-NZ 2.91Å
22L94.1Very high95.2Very high14 Ų1432.6 Ų32.67%0.07317%0.173CC..THydrogen-bonded Turntrans-97-39.9173.2-172.767.7000110.9L19 D41 V48 Y211 F214 F215 Y249L19-L22 PolarHBondContact O-N 2.94Å; L22-D41 HydrophobicContact CD1-CB 3.99Å; L22-D41 HydrophobicContact CG-CB 4.25Å; L22-V48 HydrophobicContact CD2-CB 4.25Å; L22-Y211 HydrophobicContact CD1-CD1 3.85Å; L22-Y211 HydrophobicContact CD1-CE1 4.11Å; L22-F214 HydrophobicContact CD1-CD2 4.11Å; L22-F215 HydrophobicContact CD1-CE1 4.26Å; L22-F215 HydrophobicContact CD2-CD1 4.31Å; L22-F215 HydrophobicContact CD2-CE1 3.87Å; L22-Y249 HydrophobicContact CD2-CD1 3.76Å; L22-Y249 HydrophobicContact CD2-CE1 3.85Å
23I94.5Very high95.3Very high5 Ų535.5 Ų35.53%0.02619%0.193CC..  trans-133.7134.2-177.848.4160.9000110.7L19 K20 A26 L37 M40 V48 L72L19-I23 HydrophobicContact CB-CD1 4.32Å; L19-I23 HydrophobicContact CB-CG1 4.23Å; L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.48Å; K20-I23 CarbonylContact C-O 3.58Å; K20-I23 WeakPolarHBondContact CA-O 3.26Å; I23-A26 HydrophobicContact CD1-CB 3.98Å; I23-L37 HydrophobicContact CD1-CD2 4Å; I23-M40 WeakPolarHBondContact CG2-O 3.39Å; I23-V48 HydrophobicContact CD1-CG1 3.59Å; I23-V48 HydrophobicContact CG1-CG1 4.23Å; I23-V48 HydrophobicContact CG2-CG1 4.42Å; I23-L72 HydrophobicContact CD1-CD1 3.51Å; I23-L72 HydrophobicContact CG1-CD1 3.68Å
24N92.3Very high95.4Very high112 Ų11233.7 Ų33.760%0.59919%0.185SC*.SBendtrans-84.9-43-179.3-73.2-30.3000112.2L72N24-L72 PolarHBondContact O-N 3.46Å
25E94.2Very high95.4Very high87 Ų8729.9 Ų29.941%0.40717%0.169SC..EExtended strand (participates in β ladder)trans-135.2141.6-173.1-67.5173.6177.600108.2V70 N71 M119 L121E25-V70 WeakPolarHBondContact CA-O 3.31Å; E25-N71 HydrophobicContact CG-CB 4.31Å; E25-N71 PolarHBondContact OE1-ND2 2.94Å; E25-N71 VanDerWaalsContact OE1-ND2 3.15Å; E25-M119 HydrophobicContact CB-SD 4.21Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.4Å; E25-M119 HydrophobicContact CG-SD 3.83Å; E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.44Å
26A95.2Very high95.4Very high4 Ų432.1 Ų32.13%0.03318%0.181CC..EExtended strand (participates in β ladder)trans-157.3156177.300000110.3I23 L37 V70 L72 L121I23-A26 HydrophobicContact CD1-CB 3.98Å; A26-L37 HydrophobicContact CB-CD1 3.44Å; A26-L37 VanDerWaalsContact CB-CD1 3.44Å; A26-L37 HydrophobicContact CB-CD2 4.36Å; A26-L37 HydrophobicContact CB-CG 3.86Å; A26-V70 PolarHBondContact N-O 3.24Å; A26-V70 VanDerWaalsContact N-O 3.17Å; A26-V70 PolarHBondContact O-N 3.25Å; A26-L72 HydrophobicContact CB-CD1 4.42Å; A26-L121 VanDerWaalsContact C-CD1 3.49Å
27C95.6Very high95.4Very high7 Ų732.1 Ų32.15%0.04718%0.181CC..EExtended strand (participates in β ladder)trans-89.9134171.8-1670000110.8M68 V123C27-M68 WeakPolarHBondContact CA-O 3.37Å; C27-V123 HydrophobicContact CB-CB 4.33Å; C27-V123 HydrophobicContact CB-CG1 4.37Å; C27-V123 HydrophobicContact CB-CG2 3.23Å
28W95.8Very high95.5Very high3 Ų329.9 Ų29.91%0.01117%0.17CC..EExtended strand (participates in β ladder)trans-98106172.3-71.350.7000107.2L12 L16 I30 V35 N36 L37 L50 M68 V70 M75L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.84Å; L16-W28 HydrophobicContact CD2-CH2 4.16Å; L16-W28 HydrophobicContact CD2-CZ2 3.62Å; W28-I30 HydrophobicContact CB-CD1 4.19Å; W28-I30 PolarHBondContact O-N 2.93Å; W28-V35 HydrophobicContact CD2-CG1 4.26Å; W28-V35 HydrophobicContact CE3-CG1 3.37Å; W28-V35 HydrophobicContact CZ3-CG1 3.83Å; W28-N36 CarbonylContact C-O 3.58Å; W28-N36 WeakPolarHBondContact CA-O 3.28Å; W28-L37 HydrophobicContact CG-CD1 4.45Å; W28-L37 HydrophobicContact CZ2-CD1 4.5Å; W28-L37 VanDerWaalsContact NE1-CD1 3.35Å; W28-L50 HydrophobicContact CH2-CD2 4.33Å; W28-M68 HydrophobicContact CB-CB 4.36Å; W28-M68 HydrophobicContact CB-CE 4.25Å; W28-M68 PolarHBondContact N-O 3.33Å; W28-M68 PolarHBondContact O-N 3.21Å; W28-V70 HydrophobicContact CG-CG2 4.44Å; W28-M75 HydrophobicContact CH2-CE 4.44Å; W28-M75 HydrophobicContact CZ2-SD 4.3Å
29D95.2Very high95.4Very high35 Ų3531 Ų3119%0.18718%0.178CC..EExtended strand (participates in β ladder)trans-82106.5177.7-68.6-50.4000109.3N36 Q125D29-N36 HydrophobicContact CB-CB 4.34Å; D29-N36 PolarHBondContact N-O 2.86Å; D29-N36 PolarHBondContact O-N 2.83Å; D29-Q125 PolarHBondContact OD2-NE2 3.01Å
30I96.4Very high95.3Very high3 Ų334.1 Ų34.12%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-96.6129.9179.1-47.2-46.2000108.7F2 W28 V35 Y60 C62 N65 L66 M68F2-I30 HydrophobicContact CB-CG2 4.45Å; F2-I30 HydrophobicContact CD1-CG1 4.44Å; F2-I30 HydrophobicContact CD1-CG2 4.5Å; F2-I30 HydrophobicContact CD2-CG2 3.28Å; F2-I30 HydrophobicContact CE1-CD1 4.45Å; F2-I30 HydrophobicContact CE1-CG1 4.4Å; F2-I30 HydrophobicContact CE2-CG2 3.47Å; F2-I30 VanDerWaalsContact CE2-CG2 3.47Å; F2-I30 HydrophobicContact CG-CG2 3.84Å; F2-I30 HydrophobicContact CZ-CD1 4.21Å; F2-I30 HydrophobicContact CZ-CG1 4.41Å; F2-I30 HydrophobicContact CZ-CG2 4.18Å; W28-I30 HydrophobicContact CB-CD1 4.19Å; W28-I30 PolarHBondContact O-N 2.93Å; I30-V35 HydrophobicContact CD1-CB 4.09Å; I30-V35 HydrophobicContact CD1-CG1 3.64Å; I30-V35 HydrophobicContact CD1-CG2 3.88Å; I30-Y60 VanDerWaalsContact CG2-OH 3.3Å; I30-Y60 WeakPolarHBondContact CG2-OH 3.1Å; I30-C62 HydrophobicContact CG2-CB 4.17Å; I30-N65 VanDerWaalsContact O-CA 3.25Å; I30-N65 WeakPolarHBondContact O-CA 3.33Å; I30-L66 HydrophobicContact CB-CB 4.09Å; I30-L66 HydrophobicContact CG1-CB 4.34Å; I30-L66 PolarHBondContact N-O 3.11Å; I30-L66 PolarHBondContact O-N 3.49Å; I30-M68 HydrophobicContact CD1-CE 3.58Å; I30-M68 HydrophobicContact CG1-CE 3.5Å; I30-M68 VanDerWaalsContact CG1-CE 3.5Å; I30-M68 HydrophobicContact CG1-SD 4.47Å
31S96.3Very high95.3Very high22 Ų2233 Ų3315%0.15419%0.189CC..EExtended strand (participates in β ladder)trans-145.3177175.170.60000110.6S33 G34 Y60 C62S31-S33 PolarHBondContact O-N 2.88Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-N 2.94Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S31-G34 PolarHBondContact N-O 3.19Å; S31-G34 PolarHBondContact O-N 3.26Å; S31-G34 VanDerWaalsContact O-N 3.08Å; S31-Y60 VanDerWaalsContact O-CE1 3.28Å; S31-Y60 WeakPolarHBondContact O-CE1 3.46Å; S31-Y60 PolarHBondContact O-OH 2.93Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.6Å
32S96.4Very high95.3Very high93 Ų9335 Ų3565%0.6521%0.209SC*.THydrogen-bonded Turntrans-60-20.6176.5610000114.4S54S32-S54 PolarHBondContact O-OG 3.35Å
33S96.6Very high95.3Very high67 Ų6737.5 Ų37.547%0.46923%0.227SC..THydrogen-bonded Turntrans-87-10.7178.764.40000113.8S31 R53 S54S31-S33 PolarHBondContact O-N 2.88Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-N 2.94Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S33-R53 WeakPolarHBondContact O-CA 3.32Å; S33-S54 PolarHBondContact O-N 2.84Å; S33-S54 PolarHBondContact O-OG 2.67Å
34G97.5Very high95.2Very high0 Ų043.6 Ų43.60%026%0.255CS..EExtended strand (participates in β ladder)trans134.6-161.1-17700000114.2S31 L52 Y60S31-G34 PolarHBondContact N-O 3.19Å; S31-G34 PolarHBondContact O-N 3.26Å; S31-G34 VanDerWaalsContact O-N 3.08Å; G34-L52 CarbonylContact C-O 3.59Å; G34-L52 VanDerWaalsContact CA-O 3.24Å; G34-L52 WeakPolarHBondContact CA-O 3.31Å; G34-Y60 WeakPolarHBondContact CA-OH 3.43Å; G34-Y60 PolarHBondContact O-OH 2.81Å
35V97.6Very high95.2Very high1 Ų140.9 Ų40.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-107.1123.1-177.4-1780000108.9F2 W28 I30 L52 F57 Y60F2-V35 HydrophobicContact CZ-CG2 4.36Å; W28-V35 HydrophobicContact CD2-CG1 4.26Å; W28-V35 HydrophobicContact CE3-CG1 3.37Å; W28-V35 HydrophobicContact CZ3-CG1 3.83Å; I30-V35 HydrophobicContact CD1-CB 4.09Å; I30-V35 HydrophobicContact CD1-CG1 3.64Å; I30-V35 HydrophobicContact CD1-CG2 3.88Å; V35-L52 HydrophobicContact CB-CB 4.19Å; V35-L52 PolarHBondContact N-O 3.08Å; V35-L52 PolarHBondContact O-N 2.84Å; V35-F57 HydrophobicContact CG2-CE2 4.32Å; V35-F57 HydrophobicContact CG2-CZ 3.99Å; V35-Y60 HydrophobicContact CG2-CE2 4.02Å
36N96.9Very high95.3Very high46 Ų4636.9 Ų36.925%0.24622%0.224CC..EExtended strand (participates in β ladder)trans-120.4153.7176.3-58.3-68.6000110.4W28 D29 L50W28-N36 CarbonylContact C-O 3.58Å; W28-N36 WeakPolarHBondContact CA-O 3.28Å; D29-N36 HydrophobicContact CB-CB 4.34Å; D29-N36 PolarHBondContact N-O 2.86Å; D29-N36 PolarHBondContact O-N 2.83Å; N36-L50 CarbonylContact C-O 3.58Å; N36-L50 VanDerWaalsContact CA-O 3.3Å; N36-L50 WeakPolarHBondContact CA-O 3.14Å
37L96.4Very high95.3Very high1 Ų137.7 Ų37.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-145.3134169.4166.1162.1000107.8L19 I23 A26 W28 V48 Q49 L50L19-L37 HydrophobicContact CD1-CD1 4.32Å; I23-L37 HydrophobicContact CD1-CD2 4Å; A26-L37 HydrophobicContact CB-CD1 3.44Å; A26-L37 VanDerWaalsContact CB-CD1 3.44Å; A26-L37 HydrophobicContact CB-CD2 4.36Å; A26-L37 HydrophobicContact CB-CG 3.86Å; W28-L37 HydrophobicContact CG-CD1 4.45Å; W28-L37 HydrophobicContact CZ2-CD1 4.5Å; W28-L37 VanDerWaalsContact NE1-CD1 3.35Å; L37-V48 HydrophobicContact CD2-CG1 3.98Å; L37-Q49 CarbonylContact O-C 3.52Å; L37-Q49 WeakPolarHBondContact O-CA 3.11Å; L37-L50 HydrophobicContact CB-CB 4.14Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.45Å; L37-L50 PolarHBondContact N-O 2.97Å; L37-L50 PolarHBondContact O-N 3Å
38Q96Very high95.4Very high22 Ų2237.4 Ų37.410%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-132.9129.5170.2-169.3-16974.400108.7L47 V48 L126 I128Q38-L47 HydrophobicContact CG-CD1 3.91Å; Q38-L47 HydrophobicContact CG-CD2 4.23Å; Q38-L47 HydrophobicContact CG-CG 4.2Å; Q38-V48 VanDerWaalsContact CA-O 3.28Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; Q38-L126 PolarHBondContact NE2-O 2.95Å; Q38-L126 PolarHBondContact OE1-O 3.29Å; Q38-I128 VanDerWaalsContact NE2-CD1 3.34Å
39S95.1Very high95.5Very high27 Ų2739.5 Ų39.519%0.18924%0.236CC..EExtended strand (participates in β ladder)trans-156.7147.6178.8-171.50000111.6V48S39-V48 PolarHBondContact N-O 2.67Å; S39-V48 WeakPolarHBondContact O-CG1 3.45Å; S39-V48 PolarHBondContact O-N 3.12Å
40M94.4Very high95.6Very high64 Ų6437.9 Ų37.932%0.31523%0.227SC..EExtended strand (participates in β ladder)trans-90.2152.7170.6-72.8-173.2-77.600110.7I23 H44 S46 L47 L126I23-M40 WeakPolarHBondContact CG2-O 3.39Å; M40-H44 WeakPolarHBondContact CE-ND1 3.38Å; M40-H44 HydrophobicContact SD-CB 4.29Å; M40-H44 PolarHBondContact SD-ND1 2.77Å; M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; M40-L47 HydrophobicContact CG-CD1 3.54Å; M40-L126 HydrophobicContact CE-CD1 3.87Å; M40-L126 HydrophobicContact CG-CD1 4.04Å; M40-L126 HydrophobicContact SD-CD1 3.82Å
41D94.1Very high95.7Very high6 Ų638.9 Ų38.93%0.03223%0.233CC..  trans-67.6164.6165.288.5-73.9000111.1L22 S43 H44 V45 S46 Y211L22-D41 HydrophobicContact CD1-CB 3.99Å; L22-D41 HydrophobicContact CG-CB 4.25Å; D41-S43 PolarHBondContact O-N 2.78Å; D41-S43 VanDerWaalsContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD2-CA 3.37Å; D41-S43 WeakPolarHBondContact OD2-CB 3.41Å; D41-S43 PolarHBondContact OD2-N 2.85Å; D41-S43 PolarHBondContact OD2-OG 2.87Å; D41-H44 PolarHBondContact O-N 2.87Å; D41-H44 PolarHBondContact OD1-N 3Å; D41-V45 PolarHBondContact OD1-N 2.85Å; D41-S46 PolarHBondContact N-O 3.2Å; D41-S46 PolarHBondContact OD1-N 2.89Å; D41-Y211 PolarHBondContact OD2-OH 2.82Å
42S91.5Very high95.8Very high116 Ų11638 Ų3881%0.81123%0.227SC*.THydrogen-bonded Turntrans-61.7-19.6-178.757.30000114.6
43S93.4Very high95.8Very high66 Ų6638.1 Ų38.146%0.46221%0.213SC..THydrogen-bonded Turntrans-93.1-4.6178.9-29.40000112.7D41 V45 Y211D41-S43 PolarHBondContact O-N 2.78Å; D41-S43 VanDerWaalsContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD2-CA 3.37Å; D41-S43 WeakPolarHBondContact OD2-CB 3.41Å; D41-S43 PolarHBondContact OD2-N 2.85Å; D41-S43 PolarHBondContact OD2-OG 2.87Å; S43-V45 PolarHBondContact O-N 2.86Å; S43-Y211 WeakPolarHBondContact CB-OH 3.32Å; S43-Y211 PolarHBondContact OG-OH 2.79Å
44H91.5Very high95.9Very high133 Ų13335.8 Ų35.862%0.61620%0.197SC*.SBendtrans55.931.7-175.2-58.2-85.8000114M40 D41M40-H44 WeakPolarHBondContact CE-ND1 3.38Å; M40-H44 HydrophobicContact SD-CB 4.29Å; M40-H44 PolarHBondContact SD-ND1 2.77Å; D41-H44 PolarHBondContact O-N 2.87Å; D41-H44 PolarHBondContact OD1-N 3Å
45V93.8Very high95.8Very high55 Ų5542.9 Ų42.933%0.33323%0.23SC..SBendtrans-101-27.6179.4176.80000111.2D41 S43 Y211 L251 A252D41-V45 PolarHBondContact OD1-N 2.85Å; S43-V45 PolarHBondContact O-N 2.86Å; V45-Y211 HydrophobicContact CB-CE1 4.47Å; V45-Y211 HydrophobicContact CB-CE2 4.11Å; V45-Y211 HydrophobicContact CG1-CD2 4.29Å; V45-Y211 HydrophobicContact CG1-CE2 3.76Å; V45-L251 HydrophobicContact CG1-CD1 3.89Å; V45-A252 PolarHBondContact O-N 2.97Å
46S95.9Very high95.7Very high4 Ų444.2 Ų44.23%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-128.5140.5179.7-176.50000112.2M40 D41 F215 Y250M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; D41-S46 PolarHBondContact N-O 3.2Å; D41-S46 PolarHBondContact OD1-N 2.89Å; S46-F215 WeakPolarHBondContact OG-CE1 3.36Å; S46-F215 WeakPolarHBondContact OG-CZ 3.29Å; S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.35Å; S46-Y250 PolarHBondContact OG-O 2.84Å
47L96.1Very high95.7Very high21 Ų2143.1 Ų43.111%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-109.4142169-173.377.4000108.7Q38 M40 L126 I128 Y249 Y250Q38-L47 HydrophobicContact CG-CD1 3.91Å; Q38-L47 HydrophobicContact CG-CD2 4.23Å; Q38-L47 HydrophobicContact CG-CG 4.2Å; M40-L47 HydrophobicContact CG-CD1 3.54Å; L47-L126 HydrophobicContact CD1-CD1 3.75Å; L47-I128 HydrophobicContact CD2-CD1 3.79Å; L47-I128 HydrophobicContact CD2-CG1 4.05Å; L47-Y249 CarbonylContact O-C 3.55Å; L47-Y249 WeakPolarHBondContact O-CA 3.4Å; L47-Y250 HydrophobicContact CB-CD2 4.07Å; L47-Y250 HydrophobicContact CB-CG 4.34Å; L47-Y250 HydrophobicContact CD2-CD2 3.93Å; L47-Y250 HydrophobicContact CD2-CE2 4.37Å; L47-Y250 HydrophobicContact CD2-CG 4.4Å; L47-Y250 HydrophobicContact CG-CD2 4.28Å; L47-Y250 PolarHBondContact N-O 3.41Å; L47-Y250 VanDerWaalsContact N-O 3.08Å; L47-Y250 PolarHBondContact O-N 3.27Å
48V96.9Very high95.7Very high0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-115.9138.8167.468.10000110.5L19 L22 I23 L37 Q38 S39 L247 K248 Y249L19-V48 HydrophobicContact CD2-CB 4.28Å; L19-V48 HydrophobicContact CD2-CG1 4.05Å; L19-V48 HydrophobicContact CD2-CG2 3.36Å; L22-V48 HydrophobicContact CD2-CB 4.25Å; I23-V48 HydrophobicContact CD1-CG1 3.59Å; I23-V48 HydrophobicContact CG1-CG1 4.23Å; I23-V48 HydrophobicContact CG2-CG1 4.42Å; L37-V48 HydrophobicContact CD2-CG1 3.98Å; Q38-V48 VanDerWaalsContact CA-O 3.28Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; S39-V48 PolarHBondContact N-O 2.67Å; S39-V48 WeakPolarHBondContact O-CG1 3.45Å; S39-V48 PolarHBondContact O-N 3.12Å; V48-L247 HydrophobicContact CG2-CD1 3.43Å; V48-L247 VanDerWaalsContact CG2-CD1 3.43Å; V48-K248 WeakPolarHBondContact CA-O 3.43Å; V48-Y249 HydrophobicContact CB-CD1 4.07Å; V48-Y249 HydrophobicContact CB-CE1 4.32Å; V48-Y249 HydrophobicContact CG2-CD1 3.69Å; V48-Y249 HydrophobicContact CG2-CE1 3.63Å
49Q97Very high95.7Very high48 Ų4849.8 Ų49.822%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-129.3116.3174.6-174.9-174.834.600109.2L37 I128 K248 Y250L37-Q49 CarbonylContact O-C 3.52Å; L37-Q49 WeakPolarHBondContact O-CA 3.11Å; Q49-I128 HydrophobicContact CB-CD1 4.39Å; Q49-I128 HydrophobicContact CG-CD1 4.44Å; Q49-K248 HydrophobicContact CB-CB 4.38Å; Q49-K248 PolarHBondContact N-O 2.84Å; Q49-K248 PolarHBondContact O-N 2.77Å; Q49-Y250 HydrophobicContact CB-CE2 4.11Å; Q49-Y250 PolarHBondContact OE1-OH 2.81Å
50L98.1Very high95.8Very high0 Ų050.6 Ų50.60%028%0.275CS..EExtended strand (participates in β ladder)trans-105.3133.2172.2172.670000108.9V15 L19 W28 N36 L37 L52 I241 L247V15-L50 HydrophobicContact CG1-CD1 3.91Å; V15-L50 HydrophobicContact CG1-CD2 3.57Å; V15-L50 HydrophobicContact CG1-CG 4.39Å; V15-L50 HydrophobicContact CG2-CD1 4.29Å; L19-L50 HydrophobicContact CD1-CD2 4.35Å; W28-L50 HydrophobicContact CH2-CD2 4.33Å; N36-L50 CarbonylContact C-O 3.58Å; N36-L50 VanDerWaalsContact CA-O 3.3Å; N36-L50 WeakPolarHBondContact CA-O 3.14Å; L37-L50 HydrophobicContact CB-CB 4.14Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.45Å; L37-L50 PolarHBondContact N-O 2.97Å; L37-L50 PolarHBondContact O-N 3Å; L50-L52 HydrophobicContact CD1-CD2 4.03Å; L50-L52 HydrophobicContact CD1-CG 4.06Å; L50-L52 HydrophobicContact CD2-CD1 4.32Å; L50-L52 HydrophobicContact CD2-CG 4.4Å; L50-L52 HydrophobicContact CG-CG 4.2Å; L50-I241 HydrophobicContact CD1-CD1 3.48Å; L50-I241 VanDerWaalsContact CD1-CD1 3.48Å; L50-L247 HydrophobicContact CB-CD1 4.15Å; L50-L247 HydrophobicContact CD1-CD1 4.37Å
51T97.9Very high96Very high24 Ų2453.2 Ų53.215%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-127.1122.6170.3-58.50000108.7R53 G245 H246T51-R53 HydrophobicContact CG2-CG 4.36Å; T51-G245 CarbonylContact O-C 3.54Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; T51-H246 PolarHBondContact N-O 2.94Å; T51-H246 PolarHBondContact O-N 3.29Å; T51-H246 PolarHBondContact OG1-NE2 3.17Å
52L98.1Very high96.1Very high4 Ų454 Ų542%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-123.6105.5170.6-59.4176.9000108.6G34 V35 L50 F57 I241 M244G34-L52 CarbonylContact C-O 3.59Å; G34-L52 VanDerWaalsContact CA-O 3.24Å; G34-L52 WeakPolarHBondContact CA-O 3.31Å; V35-L52 HydrophobicContact CB-CB 4.19Å; V35-L52 PolarHBondContact N-O 3.08Å; V35-L52 PolarHBondContact O-N 2.84Å; L50-L52 HydrophobicContact CD1-CD2 4.03Å; L50-L52 HydrophobicContact CD1-CG 4.06Å; L50-L52 HydrophobicContact CD2-CD1 4.32Å; L50-L52 HydrophobicContact CD2-CG 4.4Å; L50-L52 HydrophobicContact CG-CG 4.2Å; L52-F57 HydrophobicContact CB-CE2 4.16Å; L52-F57 HydrophobicContact CB-CZ 4.11Å; L52-F57 HydrophobicContact CD1-CZ 4.38Å; L52-I241 HydrophobicContact CD2-CB 4.47Å; L52-I241 HydrophobicContact CD2-CD1 3.67Å; L52-I241 HydrophobicContact CD2-CG2 4.14Å; L52-M244 HydrophobicContact CB-CE 4.07Å; L52-M244 HydrophobicContact CD2-CE 3.95Å; L52-M244 HydrophobicContact CD2-CG 4.28Å; L52-M244 HydrophobicContact CD2-SD 4.16Å; L52-M244 HydrophobicContact CG-CE 4.42Å
53R97.9Very high96.2Very high95 Ų9552.1 Ų52.136%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-70.8146.7-176.8-63.4-175.6-72.5-84.52112.2S33 T51 E55 G56 F57 D243 M244S33-R53 WeakPolarHBondContact O-CA 3.32Å; T51-R53 HydrophobicContact CG2-CG 4.36Å; R53-E55 WeakPolarHBondContact CB-OE2 3.16Å; R53-E55 PolarHBondContact O-N 3.05Å; R53-G56 PolarHBondContact O-N 3.19Å; R53-F57 VanDerWaalsContact O-CD2 3.31Å; R53-F57 WeakPolarHBondContact O-CD2 3.33Å; R53-F57 WeakPolarHBondContact O-CE2 3.46Å; R53-D243 VanDerWaalsContact NH2-C 3.3Å; R53-D243 PolarHBondContact NH2-O 2.84Å; R53-M244 VanDerWaalsContact CB-O 3.27Å; R53-M244 WeakPolarHBondContact CB-O 3.28Å; R53-M244 WeakPolarHBondContact CG-O 3.4Å; R53-M244 PolarHBondContact N-O 2.84Å
54S97.5Very high96.3Very high19 Ų1957.3 Ų57.313%0.13328%0.278CS..G310 helixtrans-55.1-35.9178.641.40000113.3S32 S33 G56 F57S32-S54 PolarHBondContact O-OG 3.35Å; S33-S54 PolarHBondContact O-N 2.84Å; S33-S54 PolarHBondContact O-OG 2.67Å; S54-G56 PolarHBondContact O-N 3.15Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 VanDerWaalsContact O-N 3.16Å
55E96.1Very high96.4Very high149 Ų14957.1 Ų57.170%0.69628%0.281SS*.G310 helixtrans-68.1-15-179.9-57.778.7-169.300113.3R53 F57R53-E55 WeakPolarHBondContact CB-OE2 3.16Å; R53-E55 PolarHBondContact O-N 3.05Å; E55-F57 VanDerWaalsContact C-N 3.29Å
56G95.2Very high96.4Very high29 Ų2955.5 Ų55.530%0.29927%0.271SS..G310 helixtrans-80-9.3175.400000114.7R53 S54R53-G56 PolarHBondContact O-N 3.19Å; S54-G56 PolarHBondContact O-N 3.15Å
57F96.8Very high96.3Very high22 Ų2258.7 Ų58.710%0.09630%0.297CS..SBendtrans-100.7145.9177.8-60.5-91.8000109.7A4 R5 L6 V35 L52 R53 S54 E55 Y60 M244A4-F57 HydrophobicContact CB-CD1 3.82Å; A4-F57 HydrophobicContact CB-CE1 3.89Å; A4-F57 HydrophobicContact CB-CG 4.34Å; A4-F57 HydrophobicContact CB-CZ 4.47Å; R5-F57 WeakPolarHBondContact O-CB 3.34Å; L6-F57 HydrophobicContact CB-CD1 4.13Å; L6-F57 HydrophobicContact CB-CE1 4.36Å; L6-F57 HydrophobicContact CD1-CD1 3.99Å; L6-F57 HydrophobicContact CD1-CE1 4.18Å; V35-F57 HydrophobicContact CG2-CE2 4.32Å; V35-F57 HydrophobicContact CG2-CZ 3.99Å; L52-F57 HydrophobicContact CB-CE2 4.16Å; L52-F57 HydrophobicContact CB-CZ 4.11Å; L52-F57 HydrophobicContact CD1-CZ 4.38Å; R53-F57 VanDerWaalsContact O-CD2 3.31Å; R53-F57 WeakPolarHBondContact O-CD2 3.33Å; R53-F57 WeakPolarHBondContact O-CE2 3.46Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 VanDerWaalsContact O-N 3.16Å; E55-F57 VanDerWaalsContact C-N 3.29Å; F57-Y60 HydrophobicContact CB-CD2 4.19Å; F57-Y60 AromaticContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CE2 4.04Å; F57-Y60 HydrophobicContact CD2-CG 4.43Å; F57-Y60 AromaticContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CE2 4Å; F57-Y60 AromaticContact CG-CD2 3.86Å; F57-Y60 HydrophobicContact CG-CD2 3.86Å; F57-M244 HydrophobicContact CD2-CE 4.33Å; F57-M244 HydrophobicContact CE1-CE 4.2Å; F57-M244 HydrophobicContact CE2-CE 3.9Å; F57-M244 HydrophobicContact CZ-CE 3.84Å
58D96.1Very high96.2Very high100 Ų10057.8 Ų57.854%0.53529%0.292SS..SBendtrans-71.3-35.2176.9174.166.1000111.6R5 V7R5-D58 IonicContact CZ-OD2 3.67Å; R5-D58 IonicContact NH1-OD2 2.68Å; R5-D58 PolarHBondContact NH1-OD2 2.84Å; R5-D58 PolarHBondContact O-N 2.94Å; V7-D58 HydrophobicContact CG2-CB 3.6Å
59T96.4Very high96.2Very high63 Ų6357.9 Ų57.939%0.38729%0.294SS..EExtended strand (participates in β ladder)trans-132.6130.5166.5-60.80000108A4 R5A4-T59 CarbonylContact C-O 3.56Å; A4-T59 WeakPolarHBondContact CA-O 3.31Å; R5-T59 PolarHBondContact N-O 3.08Å
60Y97.8Very high96.2Very high45 Ų4555.6 Ų55.618%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-136.1122.7174.6-166.3-89000109.9F2 E3 A4 I30 S31 G34 V35 F57 C62F2-Y60 AromaticContact CE2-CE2 3.94Å; F2-Y60 HydrophobicContact CE2-CE2 3.94Å; E3-Y60 CarbonylContact O-C 3.55Å; E3-Y60 WeakPolarHBondContact O-CA 3.32Å; A4-Y60 HydrophobicContact CB-CD2 3.79Å; A4-Y60 HydrophobicContact CB-CE2 3.95Å; I30-Y60 VanDerWaalsContact CG2-OH 3.3Å; I30-Y60 WeakPolarHBondContact CG2-OH 3.1Å; S31-Y60 VanDerWaalsContact O-CE1 3.28Å; S31-Y60 WeakPolarHBondContact O-CE1 3.46Å; S31-Y60 PolarHBondContact O-OH 2.93Å; G34-Y60 WeakPolarHBondContact CA-OH 3.43Å; G34-Y60 PolarHBondContact O-OH 2.81Å; V35-Y60 HydrophobicContact CG2-CE2 4.02Å; F57-Y60 HydrophobicContact CB-CD2 4.19Å; F57-Y60 AromaticContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CE2 4.04Å; F57-Y60 HydrophobicContact CD2-CG 4.43Å; F57-Y60 AromaticContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CE2 4Å; F57-Y60 AromaticContact CG-CD2 3.86Å; F57-Y60 HydrophobicContact CG-CD2 3.86Å; Y60-C62 HydrophobicContact CE1-CB 3.79Å
61R97.5Very high96.1Very high118 Ų11857.2 Ų57.245%0.44529%0.291SS..EExtended strand (participates in β ladder)trans-135.1127.6175.6-178.9177.6174.7-169.3-8.1109F2 E3 D63F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.39Å; E3-R61 HydrophobicContact CB-CB 4.42Å; E3-R61 PolarHBondContact N-O 3.41Å; E3-R61 PolarHBondContact O-N 2.96Å; R61-D63 IonicContact CZ-OD1 2.78Å; R61-D63 IonicContact CZ-OD2 3.41Å; R61-D63 IonicContact NE-OD1 2.73Å; R61-D63 PolarHBondContact NE-OD1 2.82Å; R61-D63 IonicContact NE-OD2 3.46Å; R61-D63 PolarHBondContact NE-OD2 2.94Å; R61-D63 IonicContact NH2-OD1 2.65Å; R61-D63 PolarHBondContact NH2-OD1 2.79Å; R61-D63 IonicContact NH2-OD2 2.57Å; R61-D63 PolarHBondContact NH2-OD2 3.21Å
62C96.7Very high96Very high22 Ų2256 Ų5615%0.14928%0.284CS..EExtended strand (participates in β ladder)trans-140.499.9173.5174.70000106.9I30 S31 Y60 R64I30-C62 HydrophobicContact CG2-CB 4.17Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.6Å; Y60-C62 HydrophobicContact CE1-CB 3.79Å; C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact SG-O 3.19Å
63D94.5Very high95.8Very high78 Ų7858.2 Ų58.242%0.41730%0.298SS..SBendtrans-73.9-28.5-177.2-61.2-28.4000112M1 R61M1-D63 WeakPolarHBondContact CB-OD2 3.17Å; M1-D63 PolarHBondContact N-OD2 3.36Å; M1-D63 PolarHBondContact O-N 2.82Å; R61-D63 IonicContact CZ-OD1 2.78Å; R61-D63 IonicContact CZ-OD2 3.41Å; R61-D63 IonicContact NE-OD1 2.73Å; R61-D63 PolarHBondContact NE-OD1 2.82Å; R61-D63 IonicContact NE-OD2 3.46Å; R61-D63 PolarHBondContact NE-OD2 2.94Å; R61-D63 IonicContact NH2-OD1 2.65Å; R61-D63 PolarHBondContact NH2-OD1 2.79Å; R61-D63 IonicContact NH2-OD2 2.57Å; R61-D63 PolarHBondContact NH2-OD2 3.21Å
64R93.7Very high95.7Very high175 Ų17556.1 Ų56.166%0.6630%0.297SS*.SBendtrans-147.8149.2179.6-64.6-174.6177.2-167.60.1109.3C62 L66C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact SG-O 3.19Å; R64-L66 PolarHBondContact O-N 2.98Å
65N94.4Very high95.6Very high128 Ų12855.2 Ų55.268%0.68429%0.291SS*.  trans-58.3132.8172.3-68.92.7000109.5I30I30-N65 VanDerWaalsContact O-CA 3.25Å; I30-N65 WeakPolarHBondContact O-CA 3.33Å
66L93.6Very high95.6Very high22 Ų2248.3 Ų48.312%0.11526%0.26CS..EExtended strand (participates in β ladder)trans-130.1134.7-177.1-162.777.2000108.8F2 I30 R64 M68 A92 D94F2-L66 HydrophobicContact CB-CD2 4.34Å; I30-L66 HydrophobicContact CB-CB 4.09Å; I30-L66 HydrophobicContact CG1-CB 4.34Å; I30-L66 PolarHBondContact N-O 3.11Å; I30-L66 PolarHBondContact O-N 3.49Å; R64-L66 PolarHBondContact O-N 2.98Å; L66-M68 HydrophobicContact CD2-CG 3.54Å; L66-M68 HydrophobicContact CD2-SD 3.68Å; L66-M68 HydrophobicContact CG-CG 3.99Å; L66-A92 HydrophobicContact CD2-CB 3.81Å; L66-D94 WeakPolarHBondContact CD1-O 3.33Å
67A93.4Very high95.6Very high70 Ų7053.3 Ų53.358%0.57927%0.273SS*.EExtended strand (participates in β ladder)trans-108.7109.6174.100000107.6
68M95Very high95.7Very high2 Ų253.7 Ų53.71%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-107.3106.9-178.3-63.7-174.9-56.500110.1F2 C27 W28 I30 L66 V70 A92 L99 L118F2-M68 HydrophobicContact CD1-CE 4.08Å; F2-M68 HydrophobicContact CD1-SD 4.21Å; F2-M68 HydrophobicContact CE1-CE 3.81Å; F2-M68 HydrophobicContact CE1-SD 4.46Å; C27-M68 WeakPolarHBondContact CA-O 3.37Å; W28-M68 HydrophobicContact CB-CB 4.36Å; W28-M68 HydrophobicContact CB-CE 4.25Å; W28-M68 PolarHBondContact N-O 3.33Å; W28-M68 PolarHBondContact O-N 3.21Å; I30-M68 HydrophobicContact CD1-CE 3.58Å; I30-M68 HydrophobicContact CG1-CE 3.5Å; I30-M68 VanDerWaalsContact CG1-CE 3.5Å; I30-M68 HydrophobicContact CG1-SD 4.47Å; L66-M68 HydrophobicContact CD2-CG 3.54Å; L66-M68 HydrophobicContact CD2-SD 3.68Å; L66-M68 HydrophobicContact CG-CG 3.99Å; M68-V70 HydrophobicContact CB-CG2 4.34Å; M68-V70 PolarHBondContact O-N 3.44Å; M68-A92 HydrophobicContact SD-CB 3.83Å; M68-L99 HydrophobicContact CE-CD1 4.37Å; M68-L99 HydrophobicContact SD-CD1 4Å; M68-L118 HydrophobicContact CB-CD1 4.27Å; M68-L118 HydrophobicContact CB-CD2 3.98Å; M68-L118 HydrophobicContact CG-CD1 3.99Å; M68-L118 HydrophobicContact CG-CD2 4.48Å; M68-L118 HydrophobicContact SD-CD1 4.33Å
69G96.5Very high95.7Very high3 Ų349 Ų493%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-73.6124.6170.500000110.9L118 M119G69-L118 WeakPolarHBondContact O-CA 3.23Å; G69-L118 WeakPolarHBondContact O-CD2 3.36Å; G69-M119 VanDerWaalsContact C-CG 3.42Å; G69-M119 WeakPolarHBondContact CA-O 3.28Å; G69-M119 PolarHBondContact N-O 3.08Å; G69-M119 VanDerWaalsContact O-CG 3.27Å; G69-M119 WeakPolarHBondContact O-CG 3.23Å; G69-M119 PolarHBondContact O-N 3.04Å
70V96.3Very high95.6Very high0 Ų052.2 Ų52.20%026%0.259CS..EExtended strand (participates in β ladder)trans-131.6132-171.71780000110.4E25 A26 W28 M68 L72 M75 M116 L118E25-V70 WeakPolarHBondContact CA-O 3.31Å; A26-V70 PolarHBondContact N-O 3.24Å; A26-V70 VanDerWaalsContact N-O 3.17Å; A26-V70 PolarHBondContact O-N 3.25Å; W28-V70 HydrophobicContact CG-CG2 4.44Å; M68-V70 HydrophobicContact CB-CG2 4.34Å; M68-V70 PolarHBondContact O-N 3.44Å; V70-L72 HydrophobicContact CB-CD2 4.44Å; V70-L72 HydrophobicContact CG1-CD2 4.16Å; V70-L72 PolarHBondContact O-N 2.93Å; V70-M75 HydrophobicContact CG1-CB 3.83Å; V70-M75 HydrophobicContact CG1-CG 4.24Å; V70-M75 HydrophobicContact CG1-SD 3.72Å; V70-M116 HydrophobicContact CG1-CE 3.7Å; V70-M116 HydrophobicContact CG1-SD 4.25Å; V70-L118 HydrophobicContact CG2-CD2 3.95Å
71N95.6Very high95.6Very high33 Ų3352.8 Ų52.818%0.17627%0.269CS..EExtended strand (participates in β ladder)trans-78.6109164.5-174.1-80.9000110.1E25 T73 S74 M75 M119E25-N71 HydrophobicContact CG-CB 4.31Å; E25-N71 PolarHBondContact OE1-ND2 2.94Å; E25-N71 VanDerWaalsContact OE1-ND2 3.15Å; N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 3.08Å; N71-T73 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact O-N 3.27Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.25Å; N71-S74 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact OD1-OG 2.88Å; N71-M75 PolarHBondContact O-N 2.88Å; N71-M119 HydrophobicContact CB-CE 3.74Å
72L96Very high95.5Very high0 Ų047.4 Ų47.40%025%0.25CC..Hα-helixtrans-68.1-31-171-57.9-171.3000112.6L16 L19 K20 I23 N24 A26 V70 S76L16-L72 HydrophobicContact CD2-CD2 4.2Å; L19-L72 HydrophobicContact CB-CD1 3.93Å; K20-L72 HydrophobicContact CB-CB 4.34Å; I23-L72 HydrophobicContact CD1-CD1 3.51Å; I23-L72 HydrophobicContact CG1-CD1 3.68Å; N24-L72 PolarHBondContact O-N 3.46Å; A26-L72 HydrophobicContact CB-CD1 4.42Å; V70-L72 HydrophobicContact CB-CD2 4.44Å; V70-L72 HydrophobicContact CG1-CD2 4.16Å; V70-L72 PolarHBondContact O-N 2.93Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 3.01Å
73T94.1Very high95.4Very high50 Ų5047.7 Ų47.731%0.30726%0.257SS..Hα-helixtrans-65.2-42.1173.8-69.90000111.1N71 K77N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 3.08Å; N71-T73 PolarHBondContact OD1-N 2.83Å; T73-K77 WeakPolarHBondContact O-CG 3.36Å; T73-K77 PolarHBondContact O-N 2.88Å; T73-K77 VanDerWaalsContact O-N 3.1Å
74S95.6Very high95.3Very high50 Ų5049 Ų4935%0.3526%0.264SS..Hα-helixtrans-69.3-44.9179.1-58.90000111.2N71 S76 K77 I78N71-S74 PolarHBondContact O-N 3.27Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.25Å; N71-S74 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact OD1-OG 2.88Å; S74-S76 PolarHBondContact O-N 3.28Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 3.25Å; S74-I78 PolarHBondContact O-N 2.91Å; S74-I78 VanDerWaalsContact O-N 3.15Å
75M97.1Very high95.4Very high0 Ų047.6 Ų47.60%027%0.265CS..Hα-helixtrans-61.9-41.9175-164.8-172.5-17900111.4L12 L16 W28 V70 N71 K77 I78 L79 L90 L99 L101 M116L12-M75 HydrophobicContact CD2-CE 4.1Å; L16-M75 HydrophobicContact CD1-CB 3.6Å; L16-M75 HydrophobicContact CD1-CG 3.52Å; L16-M75 HydrophobicContact CD1-SD 3.68Å; L16-M75 HydrophobicContact CD2-SD 4.2Å; L16-M75 HydrophobicContact CG-SD 4.46Å; W28-M75 HydrophobicContact CH2-CE 4.44Å; W28-M75 HydrophobicContact CZ2-SD 4.3Å; V70-M75 HydrophobicContact CG1-CB 3.83Å; V70-M75 HydrophobicContact CG1-CG 4.24Å; V70-M75 HydrophobicContact CG1-SD 3.72Å; N71-M75 PolarHBondContact O-N 2.88Å; M75-K77 VanDerWaalsContact C-N 3.31Å; M75-K77 PolarHBondContact O-N 2.97Å; M75-I78 PolarHBondContact O-N 2.88Å; M75-I78 VanDerWaalsContact O-N 3.15Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.08Å; M75-L90 HydrophobicContact CE-CD1 4.48Å; M75-L90 HydrophobicContact CE-CD2 4.24Å; M75-L99 HydrophobicContact CE-CD2 4.19Å; M75-L101 HydrophobicContact CE-CD2 4.17Å; M75-L101 HydrophobicContact CG-CD2 4.45Å; M75-M116 HydrophobicContact CB-CE 4.08Å; M75-M116 HydrophobicContact CB-SD 3.82Å; M75-M116 HydrophobicContact CG-SD 3.81Å
76S95.7Very high95.5Very high5 Ų542.4 Ų42.44%0.03524%0.237CC..Hα-helixtrans-58.2-40.4174.2168.10000112.1E17 L72 S74 L79 K80E17-S76 PolarHBondContact OE1-OG 3.47Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 3.01Å; S74-S76 PolarHBondContact O-N 3.28Å; S76-L79 PolarHBondContact O-N 3.18Å; S76-K80 WeakPolarHBondContact O-CG 3.49Å; S76-K80 PolarHBondContact O-N 3.33Å; S76-K80 VanDerWaalsContact O-N 3.12Å
77K95.6Very high95.7Very high134 Ų13442.2 Ų42.258%0.58324%0.236SC*.Hα-helixtrans-62.9-42.2175.6-72.7170.5-176.7173.80112.3T73 S74 M75 K80T73-K77 WeakPolarHBondContact O-CG 3.36Å; T73-K77 PolarHBondContact O-N 2.88Å; T73-K77 VanDerWaalsContact O-N 3.1Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 3.25Å; M75-K77 VanDerWaalsContact C-N 3.31Å; M75-K77 PolarHBondContact O-N 2.97Å; K77-K80 WeakPolarHBondContact O-CB 3.49Å; K77-K80 PolarHBondContact O-N 2.68Å
78I97.2Very high95.9Very high29 Ų2938.9 Ų38.915%0.14921%0.208CC..Hα-helixtrans-67.2-45.2178.1-63170.1000110.3S74 M75 K80 C81 L101 F103 Y114 M116S74-I78 PolarHBondContact O-N 2.91Å; S74-I78 VanDerWaalsContact O-N 3.15Å; M75-I78 PolarHBondContact O-N 2.88Å; M75-I78 VanDerWaalsContact O-N 3.15Å; I78-K80 PolarHBondContact O-N 3.21Å; I78-K80 VanDerWaalsContact O-N 3.17Å; I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.42Å; I78-C81 PolarHBondContact O-N 3.33Å; I78-L101 HydrophobicContact CG2-CD1 4.33Å; I78-L101 HydrophobicContact CG2-CD2 4.34Å; I78-F103 HydrophobicContact CG2-CE2 4.31Å; I78-F103 HydrophobicContact CG2-CZ 4.02Å; I78-F103 WeakPolarHBondContact O-CE2 3.39Å; I78-Y114 HydrophobicContact CG2-CD1 4.18Å; I78-Y114 HydrophobicContact CG2-CD2 4.32Å; I78-Y114 HydrophobicContact CG2-CG 3.79Å; I78-M116 HydrophobicContact CD1-CB 3.63Å; I78-M116 HydrophobicContact CD1-CG 4.42Å; I78-M116 HydrophobicContact CD1-SD 4.33Å
79L96.4Very high96.1Very high3 Ų338.9 Ų38.92%0.01621%0.208CC..Hα-helixtrans-63.7-21178.4-69.1-173.2000113.8L12 K13 L16 M75 S76 C81 A82 I88 L101 F103L12-L79 HydrophobicContact CB-CD1 4.33Å; L12-L79 HydrophobicContact CD2-CD1 4Å; L12-L79 HydrophobicContact CD2-CD2 3.95Å; L12-L79 HydrophobicContact CG-CD1 3.7Å; K13-L79 VanDerWaalsContact CE-O 3.31Å; K13-L79 WeakPolarHBondContact CE-O 3.5Å; K13-L79 HydrophobicContact CG-CB 4.14Å; L16-L79 HydrophobicContact CD1-CD1 3.39Å; L16-L79 HydrophobicContact CD1-CG 4.24Å; L16-L79 HydrophobicContact CG-CD1 3.8Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.08Å; S76-L79 PolarHBondContact O-N 3.18Å; L79-C81 PolarHBondContact O-N 3.33Å; L79-A82 WeakPolarHBondContact O-CB 3.39Å; L79-A82 PolarHBondContact O-N 3.35Å; L79-I88 HydrophobicContact CD2-CD1 4Å; L79-L101 HydrophobicContact CD2-CD2 3.77Å; L79-F103 HydrophobicContact CD2-CE1 3.94Å; L79-F103 HydrophobicContact CD2-CZ 3.94Å
80K95.6Very high96.2Very high129 Ų12939 Ų3956%0.56121%0.209SC*.THydrogen-bonded Turntrans-66.6-19.6171.4-76.5174.1-178.2-173.60113.2S76 K77 I78 A82S76-K80 WeakPolarHBondContact O-CG 3.49Å; S76-K80 PolarHBondContact O-N 3.33Å; S76-K80 VanDerWaalsContact O-N 3.12Å; K77-K80 WeakPolarHBondContact O-CB 3.49Å; K77-K80 PolarHBondContact O-N 2.68Å; I78-K80 PolarHBondContact O-N 3.21Å; I78-K80 VanDerWaalsContact O-N 3.17Å; K80-A82 VanDerWaalsContact C-N 3.29Å
81C96.1Very high96.2Very high58 Ų5844.3 Ų44.339%0.39223%0.229SC..THydrogen-bonded Turntrans-75.4-18.8174.5-590000112.9I78 L79 F103 Y114I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.42Å; I78-C81 PolarHBondContact O-N 3.33Å; L79-C81 PolarHBondContact O-N 3.33Å; C81-F103 HydrophobicContact CB-CE2 4.21Å; C81-Y114 HydrophobicContact CB-CE1 4.34Å; C81-Y114 HydrophobicContact CB-CE2 4.03Å; C81-Y114 WeakPolarHBondContact CB-OH 3.34Å
82A96.2Very high96.3Very high4 Ų443 Ų433%0.03322%0.222CC..SBendtrans-76.3138.8173.400000111.1K13 L79 K80 D86 I88 F103K13-A82 PolarHBondContact NZ-O 3.18Å; L79-A82 WeakPolarHBondContact O-CB 3.39Å; L79-A82 PolarHBondContact O-N 3.35Å; K80-A82 VanDerWaalsContact C-N 3.29Å; A82-D86 HydrophobicContact CB-CB 4.4Å; A82-I88 HydrophobicContact CB-CD1 3.96Å; A82-I88 HydrophobicContact CB-CG1 4.38Å; A82-F103 HydrophobicContact CB-CB 4.33Å; A82-F103 HydrophobicContact CB-CD1 4.04Å; A82-F103 HydrophobicContact CB-CD2 3.66Å; A82-F103 HydrophobicContact CB-CE1 4.26Å; A82-F103 HydrophobicContact CB-CE2 3.92Å; A82-F103 HydrophobicContact CB-CG 3.75Å; A82-F103 HydrophobicContact CB-CZ 4.2Å
83G94.4Very high96.3Very high29 Ų2948.3 Ų48.330%0.29925%0.247SC..  trans-58.2165.6164.300000112E85 D86G83-E85 VanDerWaalsContact C-N 3.32Å; G83-D86 VanDerWaalsContact N-CG 3.28Å; G83-D86 PolarHBondContact N-OD2 2.97Å
84N93.1Very high96Very high105 Ų10548.4 Ų48.456%0.56125%0.246SC*.SBendtrans-76-24.4177.6-70.7-19.8000112.8S10 K13S10-N84 VanDerWaalsContact CB-O 3.3Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 2.84Å; K13-N84 PolarHBondContact NZ-OD1 3.12Å
85E95.2Very high95.5Very high146 Ų14653.5 Ų53.568%0.68227%0.269SS*.SBendtrans-99.8-0.2177.3-53.6-54.5135.400112.4G83 P106G83-E85 VanDerWaalsContact C-N 3.32Å; E85-P106 HydrophobicContact CB-CG 4.04Å; E85-P106 WeakPolarHBondContact O-CD 3.34Å; E85-P106 WeakPolarHBondContact O-CG 3.3Å
86D97.1Very high95Very high18 Ų1854.7 Ų54.710%0.09628%0.279CS..  trans-67.2140.4-178.1-72.94.9000110.3G9 A82 G83 E104G9-D86 VanDerWaalsContact CA-O 3.29Å; G9-D86 WeakPolarHBondContact CA-O 3.41Å; G9-D86 PolarHBondContact N-O 2.94Å; G9-D86 VanDerWaalsContact N-O 3.15Å; A82-D86 HydrophobicContact CB-CB 4.4Å; G83-D86 VanDerWaalsContact N-CG 3.28Å; G83-D86 PolarHBondContact N-OD2 2.97Å; D86-E104 WeakPolarHBondContact CA-O 3.43Å
87I98Very high94.9Very high18 Ų1860.9 Ų60.99%0.09231%0.311CS..EExtended strand (participates in β ladder)trans-72136.6163.5-64.1132.1000107.5R5 L6 V7 F103 E104R5-I87 HydrophobicContact CG-CG2 3.83Å; L6-I87 WeakPolarHBondContact O-CA 3.3Å; V7-I87 HydrophobicContact CG1-CG1 4.49Å; I87-F103 WeakPolarHBondContact O-CA 3.27Å; I87-E104 HydrophobicContact CB-CB 4.28Å; I87-E104 PolarHBondContact N-O 3.47Å; I87-E104 PolarHBondContact O-N 2.8Å
88I98Very high94.9Very high1 Ų156.5 Ų56.51%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-117.8125.7176.3-62.3-179.4000109.5L6 G9 L12 L79 A82 L90 V102 F103L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.2Å; G9-I88 WeakPolarHBondContact O-CD1 3.44Å; L12-I88 HydrophobicContact CD2-CG2 4.05Å; L79-I88 HydrophobicContact CD2-CD1 4Å; A82-I88 HydrophobicContact CB-CD1 3.96Å; A82-I88 HydrophobicContact CB-CG1 4.38Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; I88-V102 WeakPolarHBondContact CA-O 3.45Å; I88-F103 HydrophobicContact CB-CD1 4.24Å; I88-F103 HydrophobicContact CB-CE1 4.48Å; I88-F103 HydrophobicContact CD1-CD1 4.21Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.69Å; I88-F103 HydrophobicContact CG1-CE1 4.03Å; I88-F103 HydrophobicContact CG2-CD1 3.99Å; I88-F103 HydrophobicContact CG2-CE1 3.83Å
89T98.2Very high94.9Very high1 Ų155.2 Ų55.21%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-113.2125.4173.6-53.60000109.8E3 A4 R5 R91 L101 V102E3-T89 HydrophobicContact CG-CG2 4.05Å; A4-T89 CarbonylContact O-C 3.51Å; A4-T89 WeakPolarHBondContact O-CA 3.33Å; R5-T89 HydrophobicContact CB-CG2 4.34Å; T89-R91 HydrophobicContact CG2-CG 4.06Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; T89-V102 PolarHBondContact N-O 2.91Å; T89-V102 PolarHBondContact O-N 3.35Å
90L98.1Very high95Very high7 Ų756.6 Ų56.64%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-99.1132.7172.9-59.6-178.2000109F2 E3 A4 L12 M75 I88 L99 A100 L101F2-L90 HydrophobicContact CE1-CB 3.92Å; F2-L90 HydrophobicContact CZ-CB 4.26Å; E3-L90 CarbonylContact C-O 3.49Å; E3-L90 VanDerWaalsContact CA-O 3.3Å; E3-L90 WeakPolarHBondContact CA-O 3.37Å; A4-L90 PolarHBondContact N-O 3.41Å; A4-L90 PolarHBondContact O-N 3.01Å; L12-L90 HydrophobicContact CD2-CD1 4.03Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.33Å; M75-L90 HydrophobicContact CE-CD1 4.48Å; M75-L90 HydrophobicContact CE-CD2 4.24Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; L90-L99 HydrophobicContact CB-CD1 4.25Å; L90-A100 WeakPolarHBondContact CA-O 3.15Å; L90-L101 HydrophobicContact CD2-CB 4.49Å; L90-L101 HydrophobicContact CD2-CD2 3.8Å; L90-L101 HydrophobicContact CD2-CG 3.85Å
91R97.8Very high95.1Very high111 Ų11150.5 Ų50.542%0.41928%0.275SS..EExtended strand (participates in β ladder)trans-137.6136.1177.9-66.5-179.4178.3161.8-0.5112.3F2 E3 T89 A100F2-R91 WeakPolarHBondContact O-CA 3.48Å; E3-R91 HydrophobicContact CB-CG 4.23Å; E3-R91 VanDerWaalsContact CD-NE 3.34Å; E3-R91 HydrophobicContact CG-CG 3.97Å; E3-R91 IonicContact OE1-CZ 3.26Å; E3-R91 VanDerWaalsContact OE1-CZ 3.26Å; E3-R91 IonicContact OE1-NE 2.95Å; E3-R91 PolarHBondContact OE1-NE 2.87Å; E3-R91 IonicContact OE1-NH2 2.74Å; E3-R91 PolarHBondContact OE1-NH2 2.74Å; E3-R91 IonicContact OE2-NE 3.8Å; T89-R91 HydrophobicContact CG2-CG 4.06Å; R91-A100 HydrophobicContact CB-CB 4.23Å; R91-A100 PolarHBondContact N-O 2.85Å; R91-A100 PolarHBondContact O-N 3.01Å
92A97.4Very high95.2Very high6 Ų648.3 Ų48.35%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-146.1145.417300000110.8F2 L66 M68 A96 L99F2-A92 HydrophobicContact CB-CB 4.39Å; F2-A92 HydrophobicContact CD1-CB 4.13Å; F2-A92 PolarHBondContact N-O 3.1Å; F2-A92 PolarHBondContact O-N 3.42Å; L66-A92 HydrophobicContact CD2-CB 3.81Å; M68-A92 HydrophobicContact SD-CB 3.83Å; A92-A96 HydrophobicContact CB-CB 3.88Å; A92-L99 HydrophobicContact CB-CD1 4.35Å
93E95Very high95.3Very high111 Ų11148.2 Ų48.252%0.51926%0.258SS..  trans-75.7168.9169.3-66.6-63.116400111.6M1 N95 A96M1-E93 WeakPolarHBondContact CE-OE1 3.45Å; E93-N95 PolarHBondContact O-N 2.78Å; E93-A96 HydrophobicContact CB-CB 4.41Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å
94D87.5Confident95.5Very high51 Ų5148.9 Ų48.927%0.27325%0.254SS..THydrogen-bonded Turntrans-64.9-26-176.9-73.9-26000114.1M1 L66M1-D94 VanDerWaalsContact N-CG 3.25Å; M1-D94 PolarHBondContact N-OD1 3.07Å; M1-D94 PolarHBondContact N-OD2 2.99Å; L66-D94 WeakPolarHBondContact CD1-O 3.33Å
95N85.9Confident95.6Very high158 Ų15844.5 Ų44.585%0.84523%0.232SC*.THydrogen-bonded Turntrans-126.555.9175.4-64.3-38.6000108.5E93E93-N95 PolarHBondContact O-N 2.78Å
96A85.7Confident95.6Very high24 Ų2441.3 Ų41.320%0.19822%0.224CC..  trans-77.2130.9-171.600000112.4A92 E93 T98 L118A92-A96 HydrophobicContact CB-CB 3.88Å; E93-A96 HydrophobicContact CB-CB 4.41Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å; A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.48Å; A96-L118 HydrophobicContact CB-CD1 4.05Å; A96-L118 WeakPolarHBondContact O-CD1 3.39Å
97D93.6Very high95.4Very high135 Ų13544.9 Ų44.972%0.72224%0.243SC*.SBendtrans-85.1-10.6163.8-63.3-39.1000111.6L118D97-L118 PolarHBondContact O-N 2.97Å
98T96.8Very high95Very high43 Ų4351.4 Ų51.426%0.26427%0.273SS..EExtended strand (participates in β ladder)trans-142.1149-17360.20000112.8A96 E115 M116A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.48Å; T98-E115 WeakPolarHBondContact CB-OE1 3.34Å; T98-E115 HydrophobicContact CG2-CG 3.97Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T98-E115 PolarHBondContact OG1-OE1 3Å; T98-M116 CarbonylContact C-O 3.55Å; T98-M116 WeakPolarHBondContact CA-O 3.24Å; T98-M116 WeakPolarHBondContact CB-O 3.28Å
99L97.8Very high94.8Very high2 Ų259.3 Ų59.31%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-108122.1169.7173.765.7000108.3M68 M75 L90 A92 L101 E115 M116 L118M68-L99 HydrophobicContact CE-CD1 4.37Å; M68-L99 HydrophobicContact SD-CD1 4Å; M75-L99 HydrophobicContact CE-CD2 4.19Å; L90-L99 HydrophobicContact CB-CD1 4.25Å; A92-L99 HydrophobicContact CB-CD1 4.35Å; L99-L101 HydrophobicContact CG-CD1 4.28Å; L99-L101 WeakPolarHBondContact O-CD1 3.29Å; L99-E115 WeakPolarHBondContact O-CA 3.45Å; L99-M116 HydrophobicContact CB-CG 3.97Å; L99-M116 HydrophobicContact CD2-SD 4.36Å; L99-M116 PolarHBondContact N-O 2.75Å; L99-M116 PolarHBondContact O-N 2.88Å; L99-L118 HydrophobicContact CB-CD2 3.87Å; L99-L118 HydrophobicContact CB-CG 4.33Å
100A98Very high94.6Very high32 Ų3264.4 Ų64.426%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-86.5136.2171.900000110.3L90 R91 Y114L90-A100 WeakPolarHBondContact CA-O 3.15Å; R91-A100 HydrophobicContact CB-CB 4.23Å; R91-A100 PolarHBondContact N-O 2.85Å; R91-A100 PolarHBondContact O-N 3.01Å; A100-Y114 WeakPolarHBondContact CA-O 3.48Å
101L98.3Very high94.6Very high1 Ų167.8 Ų67.81%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-123.5114.2176.2-56.694.5000108.6M75 I78 L79 T89 L90 L99 F103 Y114 M116M75-L101 HydrophobicContact CE-CD2 4.17Å; M75-L101 HydrophobicContact CG-CD2 4.45Å; I78-L101 HydrophobicContact CG2-CD1 4.33Å; I78-L101 HydrophobicContact CG2-CD2 4.34Å; L79-L101 HydrophobicContact CD2-CD2 3.77Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; L90-L101 HydrophobicContact CD2-CB 4.49Å; L90-L101 HydrophobicContact CD2-CD2 3.8Å; L90-L101 HydrophobicContact CD2-CG 3.85Å; L99-L101 HydrophobicContact CG-CD1 4.28Å; L99-L101 WeakPolarHBondContact O-CD1 3.29Å; L101-F103 HydrophobicContact CB-CE1 3.8Å; L101-F103 HydrophobicContact CB-CZ 4.01Å; L101-F103 HydrophobicContact CD2-CE1 4.39Å; L101-F103 HydrophobicContact CD2-CZ 4.38Å; L101-Y114 PolarHBondContact N-O 3.39Å; L101-Y114 PolarHBondContact O-N 3.33Å; L101-M116 HydrophobicContact CD1-CG 4.02Å; L101-M116 HydrophobicContact CD1-SD 4.3Å
102V98.2Very high94.6Very high12 Ų1263.5 Ų63.57%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-107125.3178.3-172.90000108.7I88 T89 E104 V111 S112 D113I88-V102 WeakPolarHBondContact CA-O 3.45Å; T89-V102 PolarHBondContact N-O 2.91Å; T89-V102 PolarHBondContact O-N 3.35Å; V102-E104 HydrophobicContact CG1-CG 4.14Å; V102-V111 HydrophobicContact CG1-CG1 3.75Å; V102-S112 WeakPolarHBondContact CA-O 3.25Å; V102-D113 WeakPolarHBondContact CG2-OD1 3.4Å
103F98Very high94.6Very high1 Ų168.7 Ų68.70%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-110.7121.7177.1-50.2-30.5000109.6I78 L79 C81 A82 I87 I88 L101 V111 S112 Y114I78-F103 HydrophobicContact CG2-CE2 4.31Å; I78-F103 HydrophobicContact CG2-CZ 4.02Å; I78-F103 WeakPolarHBondContact O-CE2 3.39Å; L79-F103 HydrophobicContact CD2-CE1 3.94Å; L79-F103 HydrophobicContact CD2-CZ 3.94Å; C81-F103 HydrophobicContact CB-CE2 4.21Å; A82-F103 HydrophobicContact CB-CB 4.33Å; A82-F103 HydrophobicContact CB-CD1 4.04Å; A82-F103 HydrophobicContact CB-CD2 3.66Å; A82-F103 HydrophobicContact CB-CE1 4.26Å; A82-F103 HydrophobicContact CB-CE2 3.92Å; A82-F103 HydrophobicContact CB-CG 3.75Å; A82-F103 HydrophobicContact CB-CZ 4.2Å; I87-F103 WeakPolarHBondContact O-CA 3.27Å; I88-F103 HydrophobicContact CB-CD1 4.24Å; I88-F103 HydrophobicContact CB-CE1 4.48Å; I88-F103 HydrophobicContact CD1-CD1 4.21Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.69Å; I88-F103 HydrophobicContact CG1-CE1 4.03Å; I88-F103 HydrophobicContact CG2-CD1 3.99Å; I88-F103 HydrophobicContact CG2-CE1 3.83Å; L101-F103 HydrophobicContact CB-CE1 3.8Å; L101-F103 HydrophobicContact CB-CZ 4.01Å; L101-F103 HydrophobicContact CD2-CE1 4.39Å; L101-F103 HydrophobicContact CD2-CZ 4.38Å; F103-V111 CarbonylContact O-C 3.56Å; F103-V111 WeakPolarHBondContact O-CA 3.34Å; F103-S112 PolarHBondContact N-O 3.46Å; F103-S112 PolarHBondContact O-N 3.16Å; F103-Y114 AromaticContact CD2-CD2 3.7Å; F103-Y114 HydrophobicContact CD2-CD2 3.7Å; F103-Y114 AromaticContact CD2-CE2 3.55Å; F103-Y114 HydrophobicContact CD2-CE2 3.55Å; F103-Y114 AromaticContact CE2-CD2 3.42Å; F103-Y114 HydrophobicContact CE2-CD2 3.42Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.42Å; F103-Y114 AromaticContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CG 4.38Å; F103-Y114 HydrophobicContact CZ-CD2 4.16Å
104E97.9Very high94.8Very high44 Ų4467.4 Ų67.421%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-118.6125.1-178.8-57.9175.5-101.700109.5R5 D86 I87 V102 V111R5-E104 IonicContact NE-OE1 3.96Å; D86-E104 WeakPolarHBondContact CA-O 3.43Å; I87-E104 HydrophobicContact CB-CB 4.28Å; I87-E104 PolarHBondContact N-O 3.47Å; I87-E104 PolarHBondContact O-N 2.8Å; V102-E104 HydrophobicContact CG1-CG 4.14Å; E104-V111 HydrophobicContact CG-CG1 4.24Å; E104-V111 HydrophobicContact CG-CG2 4.23Å
105A96.1Very high95.2Very high13 Ų1371.2 Ų71.211%0.10737%0.374CS..  trans-64.5144.9170.100000109.7N107 Q108 K110A105-N107 WeakPolarHBondContact CB-OD1 3.3Å; A105-N107 PolarHBondContact O-N 3.23Å; A105-N107 VanDerWaalsContact O-N 3.08Å; A105-Q108 WeakPolarHBondContact O-CA 3.34Å; A105-Q108 PolarHBondContact O-N 3.41Å; A105-K110 HydrophobicContact CB-CB 4.14Å; A105-K110 PolarHBondContact N-O 3.43Å
106P93.7Very high95.8Very high79 Ų7964.3 Ų64.351%0.51334%0.337SS..THydrogen-bonded Turntrans-56.4-29.8-178.9-29.536.2000114.8E85 Q108E85-P106 HydrophobicContact CB-CG 4.04Å; E85-P106 WeakPolarHBondContact O-CD 3.34Å; E85-P106 WeakPolarHBondContact O-CG 3.3Å; P106-Q108 VanDerWaalsContact C-N 3.28Å
107N93.5Very high96.3Very high93 Ų9371.5 Ų71.550%0.49736%0.364SS..THydrogen-bonded Turntrans-840.6177.568.7-5.6000113.7A105 E109A105-N107 WeakPolarHBondContact CB-OD1 3.3Å; A105-N107 PolarHBondContact O-N 3.23Å; A105-N107 VanDerWaalsContact O-N 3.08Å; N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.4Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 3.47Å; N107-E109 VanDerWaalsContact O-N 3.11Å; N107-E109 PolarHBondContact OD1-N 2.92Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å
108Q89Confident96.5Very high155 Ų15566.5 Ų66.572%0.72434%0.337SS*.SBendtrans61.69.8-179.2-54.5177.84.800115.3A105 P106 K110A105-Q108 WeakPolarHBondContact O-CA 3.34Å; A105-Q108 PolarHBondContact O-N 3.41Å; P106-Q108 VanDerWaalsContact C-N 3.28Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 3.3Å
109E94Very high96.4Very high166 Ų16667.2 Ų67.278%0.77634%0.338SS*.SBendtrans-74.9-18.9180-68.1-179.6167.700112.9N107N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.4Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 3.47Å; N107-E109 VanDerWaalsContact O-N 3.11Å; N107-E109 PolarHBondContact OD1-N 2.92Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å
110K95.6Very high96Very high109 Ų10975.3 Ų75.347%0.47438%0.381SS..  trans-135.8128.2-179.1-175.8-173.8173.5-162.90110.2A105 Q108 S112A105-K110 HydrophobicContact CB-CB 4.14Å; A105-K110 PolarHBondContact N-O 3.43Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 3.3Å; K110-S112 VanDerWaalsContact CE-OG 3.3Å; K110-S112 WeakPolarHBondContact CE-OG 3.42Å
111V97.2Very high95.7Very high77 Ų7776.4 Ų76.447%0.46738%0.382SS..EExtended strand (participates in β ladder)trans-122.3138.2167.4-176.50000107.6V102 F103 E104V102-V111 HydrophobicContact CG1-CG1 3.75Å; F103-V111 CarbonylContact O-C 3.56Å; F103-V111 WeakPolarHBondContact O-CA 3.34Å; E104-V111 HydrophobicContact CG-CG1 4.24Å; E104-V111 HydrophobicContact CG-CG2 4.23Å
112S97.7Very high94.9Very high21 Ų2184.9 Ų84.915%0.14743%0.428CS..EExtended strand (participates in β ladder)trans-133.2122.2176.3-58.20000109.9V102 F103 K110V102-S112 WeakPolarHBondContact CA-O 3.25Å; F103-S112 PolarHBondContact N-O 3.46Å; F103-S112 PolarHBondContact O-N 3.16Å; K110-S112 VanDerWaalsContact CE-OG 3.3Å; K110-S112 WeakPolarHBondContact CE-OG 3.42Å
113D97.5Very high93.8Very high115 Ų11587.2 Ų87.262%0.61544%0.442SS*.EExtended strand (participates in β ladder)trans-103.7126.6179.8-58.7-82.7000109.9V102V102-D113 WeakPolarHBondContact CG2-OD1 3.4Å
114Y98.1Very high92.8Very high85 Ų8594.8 Ų94.833%0.33348%0.477SS..EExtended strand (participates in β ladder)trans-125.1155.9173.6-63.4-89.8000109.6I78 C81 A100 L101 F103I78-Y114 HydrophobicContact CG2-CD1 4.18Å; I78-Y114 HydrophobicContact CG2-CD2 4.32Å; I78-Y114 HydrophobicContact CG2-CG 3.79Å; C81-Y114 HydrophobicContact CB-CE1 4.34Å; C81-Y114 HydrophobicContact CB-CE2 4.03Å; C81-Y114 WeakPolarHBondContact CB-OH 3.34Å; A100-Y114 WeakPolarHBondContact CA-O 3.48Å; L101-Y114 PolarHBondContact N-O 3.39Å; L101-Y114 PolarHBondContact O-N 3.33Å; F103-Y114 AromaticContact CD2-CD2 3.7Å; F103-Y114 HydrophobicContact CD2-CD2 3.7Å; F103-Y114 AromaticContact CD2-CE2 3.55Å; F103-Y114 HydrophobicContact CD2-CE2 3.55Å; F103-Y114 AromaticContact CE2-CD2 3.42Å; F103-Y114 HydrophobicContact CE2-CD2 3.42Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.42Å; F103-Y114 AromaticContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CG 4.38Å; F103-Y114 HydrophobicContact CZ-CD2 4.16Å
115E97.2Very high91.9Very high130 Ų13098.9 Ų98.961%0.60750%0.496SS*.EExtended strand (participates in β ladder)trans-136.1140.6175.9-171.9176.8-153.400108.6T98 L99T98-E115 WeakPolarHBondContact CB-OE1 3.34Å; T98-E115 HydrophobicContact CG2-CG 3.97Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T98-E115 PolarHBondContact OG1-OE1 3Å; L99-E115 WeakPolarHBondContact O-CA 3.45Å
116M97.4Very high91.5Very high14 Ų14101.6 Ų101.67%0.06951%0.509CS..EExtended strand (participates in β ladder)trans-129145.7172.570.2177.4-69.100111.2V70 M75 I78 T98 L99 L101V70-M116 HydrophobicContact CG1-CE 3.7Å; V70-M116 HydrophobicContact CG1-SD 4.25Å; M75-M116 HydrophobicContact CB-CE 4.08Å; M75-M116 HydrophobicContact CB-SD 3.82Å; M75-M116 HydrophobicContact CG-SD 3.81Å; I78-M116 HydrophobicContact CD1-CB 3.63Å; I78-M116 HydrophobicContact CD1-CG 4.42Å; I78-M116 HydrophobicContact CD1-SD 4.33Å; T98-M116 CarbonylContact C-O 3.55Å; T98-M116 WeakPolarHBondContact CA-O 3.24Å; T98-M116 WeakPolarHBondContact CB-O 3.28Å; L99-M116 HydrophobicContact CB-CG 3.97Å; L99-M116 HydrophobicContact CD2-SD 4.36Å; L99-M116 PolarHBondContact N-O 2.75Å; L99-M116 PolarHBondContact O-N 2.88Å; L101-M116 HydrophobicContact CD1-CG 4.02Å; L101-M116 HydrophobicContact CD1-SD 4.3Å
117K97Very high91.2Very high174 Ų174101.7 Ų101.776%0.75752%0.524SS*.EExtended strand (participates in β ladder)trans-71136.5173.7-65-172.9176.3-171.70110.3
118L96.8Very high91Very high31 Ų3199.8 Ų99.816%0.16251%0.513CS..  trans-83.1166.8167.6-63.6178.2000109.7M68 G69 V70 A96 D97 L99M68-L118 HydrophobicContact CB-CD1 4.27Å; M68-L118 HydrophobicContact CB-CD2 3.98Å; M68-L118 HydrophobicContact CG-CD1 3.99Å; M68-L118 HydrophobicContact CG-CD2 4.48Å; M68-L118 HydrophobicContact SD-CD1 4.33Å; G69-L118 WeakPolarHBondContact O-CA 3.23Å; G69-L118 WeakPolarHBondContact O-CD2 3.36Å; V70-L118 HydrophobicContact CG2-CD2 3.95Å; A96-L118 HydrophobicContact CB-CD1 4.05Å; A96-L118 WeakPolarHBondContact O-CD1 3.39Å; D97-L118 PolarHBondContact O-N 2.97Å; L99-L118 HydrophobicContact CB-CD2 3.87Å; L99-L118 HydrophobicContact CB-CG 4.33Å
119M94.6Very high90.9Very high58 Ų5896.5 Ų96.529%0.28651%0.505SS..BIsolated β-bridgetrans-135.1149.6177.850.1-179.557.600110.1E25 G69 N71 L121E25-M119 HydrophobicContact CB-SD 4.21Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.4Å; E25-M119 HydrophobicContact CG-SD 3.83Å; G69-M119 VanDerWaalsContact C-CG 3.42Å; G69-M119 WeakPolarHBondContact CA-O 3.28Å; G69-M119 PolarHBondContact N-O 3.08Å; G69-M119 VanDerWaalsContact O-CG 3.27Å; G69-M119 WeakPolarHBondContact O-CG 3.23Å; G69-M119 PolarHBondContact O-N 3.04Å; N71-M119 HydrophobicContact CB-CE 3.74Å; M119-L121 HydrophobicContact CG-CD1 4.35Å; M119-L121 HydrophobicContact CG-CD2 4.23Å; M119-L121 HydrophobicContact CG-CG 4.04Å; M119-L121 PolarHBondContact O-N 2.82Å; M119-L121 HydrophobicContact SD-CD1 4.26Å; M119-L121 HydrophobicContact SD-CD2 3.9Å; M119-L121 HydrophobicContact SD-CG 4.21Å
120D91Very high90.6Very high172 Ų17298.2 Ų98.292%0.9251%0.513SS*.  trans-79.4119.5170.8-62.4-41.3000108.6
121L90.9Very high90.3Very high54 Ų5496.2 Ų96.228%0.28351%0.506SS..  trans-119.6130.1175.8-64.9177.6000108.8E25 A26 M119 V123E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.44Å; A26-L121 VanDerWaalsContact C-CD1 3.49Å; M119-L121 HydrophobicContact CG-CD1 4.35Å; M119-L121 HydrophobicContact CG-CD2 4.23Å; M119-L121 HydrophobicContact CG-CG 4.04Å; M119-L121 PolarHBondContact O-N 2.82Å; M119-L121 HydrophobicContact SD-CD1 4.26Å; M119-L121 HydrophobicContact SD-CD2 3.9Å; M119-L121 HydrophobicContact SD-CG 4.21Å; L121-V123 HydrophobicContact CB-CG2 3.97Å; L121-V123 PolarHBondContact O-N 2.83Å
122D81.3Confident90.1Very high180 Ų180101 Ų10196%0.96352%0.523SS*.  trans-78112164.8-82.2-34.5000108.2
123V74.9Confident90Very high60 Ų60102.2 Ų102.236%0.36453%0.525SS..  trans-115.4120.6-174.3-171.70000108.6C27 L121C27-V123 HydrophobicContact CB-CB 4.33Å; C27-V123 HydrophobicContact CB-CG1 4.37Å; C27-V123 HydrophobicContact CB-CG2 3.23Å; L121-V123 HydrophobicContact CB-CG2 3.97Å; L121-V123 PolarHBondContact O-N 2.83Å
124E77.1Confident89.9Confident160 Ų16097.5 Ų97.575%0.74850%0.501SS*.  trans-93.3112.6170.5-162.5170.9-162.400108.6
125Q79.9Confident89.9Confident131 Ų13193.5 Ų93.561%0.61249%0.485SS*.  trans-78.5124.4172.9-74.4-167-10.800109.8D29D29-Q125 PolarHBondContact OD2-NE2 3.01Å
126L86.4Confident89.9Confident70 Ų7089.2 Ų89.237%0.36647%0.467SS..  trans-91.1126.1174.7-68.6166000109.7Q38 M40 L47 I128Q38-L126 PolarHBondContact NE2-O 2.95Å; Q38-L126 PolarHBondContact OE1-O 3.29Å; M40-L126 HydrophobicContact CE-CD1 3.87Å; M40-L126 HydrophobicContact CG-CD1 4.04Å; M40-L126 HydrophobicContact SD-CD1 3.82Å; L47-L126 HydrophobicContact CD1-CD1 3.75Å; L126-I128 PolarHBondContact O-N 3.05Å
127G87.6Confident90Very high80 Ų8088.5 Ų88.583%0.82546%0.464SS*.  trans-67.6113169.900000110.1P129G127-P129 WeakPolarHBondContact O-CD 3.24Å
128I89.4Confident90Very high53 Ų5383.7 Ų83.727%0.27244%0.443SS..  trans-91113173.2-59.4168.3000107.3Q38 L47 Q49 L126 Y250Q38-I128 VanDerWaalsContact NE2-CD1 3.34Å; L47-I128 HydrophobicContact CD2-CD1 3.79Å; L47-I128 HydrophobicContact CD2-CG1 4.05Å; Q49-I128 HydrophobicContact CB-CD1 4.39Å; Q49-I128 HydrophobicContact CG-CD1 4.44Å; L126-I128 PolarHBondContact O-N 3.05Å; I128-Y250 HydrophobicContact CD1-CE2 3.83Å; I128-Y250 HydrophobicContact CG2-CE1 3.86Å
129P88.2Confident90.1Very high87 Ų8782.2 Ų82.257%0.56544%0.435SS*.  trans-68.9145.8-179.928.3-33.4000111G127G127-P129 WeakPolarHBondContact O-CD 3.24Å
130E86.6Confident90.3Very high202 Ų20280.8 Ų80.894%0.94443%0.43SS*.  trans-70.3130.2161.9-68.8-173.4170.900108.6
131Q89.7Confident90.6Very high67 Ų6772.9 Ų72.931%0.31339%0.388SS..  trans-149.3150.8-178.759.7179.358.700110.3Y133 V233Q131-Y133 HydrophobicContact CG-CE1 4.28Å; Q131-Y133 HydrophobicContact CG-CE2 4.13Å; Q131-V233 VanDerWaalsContact NE2-CG2 3.27Å
132E91.9Very high91Very high178 Ų17872.2 Ų72.283%0.83240%0.395SS*.  trans-81.4145.7168.1-65.1-174.4171.100109.6
133Y96.2Very high91.8Very high46 Ų4666.8 Ų66.818%0.1836%0.364CS..  trans-107.3141.7177.2-64.5-87.9000109.6Q131 C135 N200 S228 V233 V236Q131-Y133 HydrophobicContact CG-CE1 4.28Å; Q131-Y133 HydrophobicContact CG-CE2 4.13Å; Y133-C135 PolarHBondContact O-N 3.15Å; Y133-N200 PolarHBondContact O-ND2 3.36Å; Y133-S228 VanDerWaalsContact CG-CB 3.45Å; Y133-V233 HydrophobicContact CE1-CG2 4.49Å; Y133-V236 HydrophobicContact CE1-CG2 3.91Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.05Å
134S96.7Very high92.9Very high16 Ų1664 Ų6411%0.11235%0.347CS..SBendtrans-61-36.8174.9-51.40000111.7N200 E201 M229 S230S134-N200 PolarHBondContact O-N 3.1Å; S134-E201 PolarHBondContact O-N 3.06Å; S134-M229 PolarHBondContact N-O 3.18Å; S134-S230 PolarHBondContact OG-OG 3.1Å
135C97.4Very high94Very high0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-136.2134.4179.2-60.70000111.2Y133 C162 E198 E201 V203 S228 M229Y133-C135 PolarHBondContact O-N 3.15Å; C135-C162 HydrophobicContact CB-CB 4Å; C135-C162 VanDerWaalsContact SG-CB 3.55Å; C135-C162 VanDerWaalsContact SG-SG 3.66Å; C135-E198 CarbonylContact C-O 3.55Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.23Å; C135-E201 PolarHBondContact SG-O 3.43Å; C135-V203 HydrophobicContact CB-CG1 3.97Å; C135-V203 WeakPolarHBondContact SG-CG1 3.4Å; C135-S228 WeakPolarHBondContact O-CA 3.48Å; C135-M229 HydrophobicContact CB-CB 4.41Å; C135-M229 HydrophobicContact CB-CE 4Å; C135-M229 PolarHBondContact N-O 3.46Å; C135-M229 PolarHBondContact O-N 3.15Å
136V97.7Very high94.9Very high40 Ų4057.3 Ų57.324%0.24231%0.314CS..EExtended strand (participates in β ladder)trans-123.6118.2167.9-176.70000108.5E198 T226 L227V136-E198 HydrophobicContact CB-CB 4.39Å; V136-E198 PolarHBondContact N-O 3.34Å; V136-E198 PolarHBondContact O-N 2.98Å; V136-T226 HydrophobicContact CG1-CG2 3.54Å; V136-L227 CarbonylContact C-O 3.51Å; V136-L227 WeakPolarHBondContact CA-O 3.38Å
137V98.1Very high95.5Very high0 Ų054.1 Ų54.10%030%0.297CS..EExtended strand (participates in β ladder)trans-118.8115.9-177.7-176.20000109.7M139 V167 T196 I197 T226 L227 M229V137-M139 HydrophobicContact CB-CE 4.34Å; V137-M139 HydrophobicContact CG1-CE 3.35Å; V137-V167 HydrophobicContact CG1-CB 4.44Å; V137-V167 HydrophobicContact CG1-CG1 4.01Å; V137-V167 HydrophobicContact CG2-CB 4.37Å; V137-V167 HydrophobicContact CG2-CG2 4.49Å; V137-T196 CarbonylContact C-O 3.58Å; V137-T196 WeakPolarHBondContact CA-O 3.2Å; V137-I197 HydrophobicContact CG1-CG1 4.15Å; V137-I197 HydrophobicContact CG2-CG1 4.43Å; V137-I197 HydrophobicContact CG2-CG2 4.33Å; V137-T226 CarbonylContact O-C 3.54Å; V137-T226 WeakPolarHBondContact O-CA 3.45Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 2.58Å; V137-L227 PolarHBondContact O-N 3.44Å; V137-M229 HydrophobicContact CG2-CE 4.02Å
138K98.2Very high96Very high72 Ų7250.4 Ų50.431%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-102.3133171.2-174.1-177.2176.3-166.30109.8V195 T196 T224 V225K138-V195 CarbonylContact O-C 3.54Å; K138-V195 WeakPolarHBondContact O-CA 3.24Å; K138-T196 PolarHBondContact N-O 2.79Å; K138-T196 PolarHBondContact O-N 3.16Å; K138-T224 WeakPolarHBondContact CE-OG1 3.43Å; K138-V225 WeakPolarHBondContact CA-O 3.47Å
139M98.3Very high96.4Very high0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-149.5169.5178.970.8-172.569.200111.8V137 S141 F144 V167 F169 L182 V195 T224 V225 L227V137-M139 HydrophobicContact CB-CE 4.34Å; V137-M139 HydrophobicContact CG1-CE 3.35Å; M139-S141 PolarHBondContact O-N 3.13Å; M139-F144 HydrophobicContact CG-CB 4.23Å; M139-F144 HydrophobicContact SD-CB 3.87Å; M139-F144 HydrophobicContact SD-CD2 4.15Å; M139-F144 HydrophobicContact SD-CG 4.41Å; M139-V167 HydrophobicContact CE-CG1 4.35Å; M139-F169 HydrophobicContact CE-CE2 4.37Å; M139-F169 HydrophobicContact CE-CZ 3.96Å; M139-F169 HydrophobicContact SD-CZ 4.38Å; M139-L182 HydrophobicContact CE-CD1 4.19Å; M139-L182 HydrophobicContact SD-CD1 3.73Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.1Å; M139-T224 CarbonylContact O-C 3.45Å; M139-T224 VanDerWaalsContact O-CA 3.28Å; M139-T224 WeakPolarHBondContact O-CA 3.38Å; M139-V225 HydrophobicContact CG-CG1 3.73Å; M139-V225 PolarHBondContact N-O 3.33Å; M139-V225 PolarHBondContact O-N 3Å; M139-L227 HydrophobicContact CE-CD1 3.92Å
140P98.3Very high96.9Very high28 Ų2852.9 Ų52.918%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-58.8129171.6-22.934.3000111G142 E143 F144 S223P140-G142 VanDerWaalsContact C-N 3.27Å; P140-G142 PolarHBondContact O-N 3.27Å; P140-E143 HydrophobicContact CB-CB 4.11Å; P140-E143 WeakPolarHBondContact O-CB 3.41Å; P140-E143 PolarHBondContact O-N 3.45Å; P140-E143 VanDerWaalsContact O-N 3.08Å; P140-F144 PolarHBondContact O-N 3.35Å; P140-S223 WeakPolarHBondContact CA-O 3.23Å
141S98.6Very high97.5Very high6 Ų643.5 Ų43.54%0.04221%0.214CC..Hα-helixtrans-62.6-36.7-177.256.30000112.2M139 E143 F144 A145 S222 S223M139-S141 PolarHBondContact O-N 3.13Å; S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 3.08Å; S141-F144 PolarHBondContact O-N 3.18Å; S141-A145 WeakPolarHBondContact O-CB 3.28Å; S141-A145 PolarHBondContact O-N 2.66Å; S141-S222 VanDerWaalsContact CB-O 3.29Å; S141-S222 WeakPolarHBondContact CB-O 3.46Å; S141-S222 PolarHBondContact OG-O 3.11Å; S141-S223 PolarHBondContact N-O 3.16Å; S141-S223 VanDerWaalsContact OG-C 3.28Å; S141-S223 PolarHBondContact OG-O 3.02Å
142G98.5Very high97.9Very high41 Ų4142.5 Ų42.542%0.42321%0.214SC..Hα-helixtrans-64.2-31.6175.400000113.5P140 R146P140-G142 VanDerWaalsContact C-N 3.27Å; P140-G142 PolarHBondContact O-N 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.46Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.1Å
143E98.3Very high98.1Very high66 Ų6639.9 Ų39.931%0.30820%0.202SC..Hα-helixtrans-72.6-46.1175.9-173.658.9-160.700110.7P140 S141 A145 R146 I147 L182P140-E143 HydrophobicContact CB-CB 4.11Å; P140-E143 WeakPolarHBondContact O-CB 3.41Å; P140-E143 PolarHBondContact O-N 3.45Å; P140-E143 VanDerWaalsContact O-N 3.08Å; S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 3.08Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.84Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.35Å; E143-R146 VanDerWaalsContact O-N 3.13Å; E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 WeakPolarHBondContact O-CG1 3.47Å; E143-I147 PolarHBondContact O-N 2.78Å; E143-L182 HydrophobicContact CG-CD1 4.33Å; E143-L182 HydrophobicContact CG-CD2 4.4Å
144F98.8Very high98.2Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-58.4-42.2174.3-178.8-115.5000112.6M139 P140 S141 R146 I147 C148 F169 L212 T216 V225 L227 V237M139-F144 HydrophobicContact CG-CB 4.23Å; M139-F144 HydrophobicContact SD-CB 3.87Å; M139-F144 HydrophobicContact SD-CD2 4.15Å; M139-F144 HydrophobicContact SD-CG 4.41Å; P140-F144 PolarHBondContact O-N 3.35Å; S141-F144 PolarHBondContact O-N 3.18Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.37Å; F144-I147 PolarHBondContact O-N 3.24Å; F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 VanDerWaalsContact CZ-SG 3.54Å; F144-C148 PolarHBondContact O-N 2.97Å; F144-C148 PolarHBondContact O-SG 2.75Å; F144-F169 HydrophobicContact CD2-CE1 4.34Å; F144-F169 HydrophobicContact CD2-CZ 4.45Å; F144-F169 HydrophobicContact CE2-CE1 4.1Å; F144-L212 HydrophobicContact CZ-CD2 4.35Å; F144-T216 HydrophobicContact CD1-CG2 3.75Å; F144-T216 HydrophobicContact CE1-CG2 3.77Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.04Å; F144-V225 HydrophobicContact CD1-CG2 4.34Å; F144-V225 HydrophobicContact CG-CG1 3.93Å; F144-L227 HydrophobicContact CD2-CD1 4.11Å; F144-L227 HydrophobicContact CE1-CD2 4.32Å; F144-L227 HydrophobicContact CE2-CD1 3.78Å; F144-L227 HydrophobicContact CE2-CD2 4.07Å; F144-L227 HydrophobicContact CZ-CD1 4.44Å; F144-L227 HydrophobicContact CZ-CD2 3.92Å; F144-V237 HydrophobicContact CE1-CG1 4.11Å
145A98.8Very high98.2Very high21 Ų2139.8 Ų39.817%0.17421%0.205CC..Hα-helixtrans-61.5-41.2175.600000112.6S141 E143 R149 T216S141-A145 WeakPolarHBondContact O-CB 3.28Å; S141-A145 PolarHBondContact O-N 2.66Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.84Å; A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 PolarHBondContact O-N 3.02Å; A145-R149 VanDerWaalsContact O-N 3.13Å; A145-T216 HydrophobicContact CB-CG2 4.04Å
146R98.7Very high98.2Very high131 Ų13146.3 Ų46.349%0.49424%0.24SC..Hα-helixtrans-63-48.8174.7-179.1-174-62.6-106.33.1111G142 E143 F144 C148 R149 D150G142-R146 WeakPolarHBondContact O-CB 3.46Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.1Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.35Å; E143-R146 VanDerWaalsContact O-N 3.13Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.37Å; R146-C148 PolarHBondContact O-N 3.23Å; R146-R149 PolarHBondContact O-N 3.08Å; R146-D150 VanDerWaalsContact CG-OD2 3.3Å; R146-D150 WeakPolarHBondContact CG-OD2 3.21Å; R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.42Å
147I98.8Very high98.2Very high2 Ų245.6 Ų45.61%0.0124%0.239CC..Hα-helixtrans-54.9-51.2178.8-70.5169.3000111.1E143 F144 R149 D150 L151 F169 I180 L182E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 WeakPolarHBondContact O-CG1 3.47Å; E143-I147 PolarHBondContact O-N 2.78Å; F144-I147 PolarHBondContact O-N 3.24Å; I147-R149 PolarHBondContact O-N 3.08Å; I147-D150 PolarHBondContact O-N 3.38Å; I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.5Å; I147-L151 WeakPolarHBondContact O-CB 3.2Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 2.96Å; I147-F169 HydrophobicContact CD1-CD2 4.07Å; I147-F169 HydrophobicContact CD1-CE2 4.03Å; I147-F169 HydrophobicContact CG2-CB 3.79Å; I147-F169 HydrophobicContact CG2-CD1 3.88Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CE1 4.48Å; I147-F169 HydrophobicContact CG2-CG 3.63Å; I147-I180 HydrophobicContact CB-CD1 4.34Å; I147-I180 HydrophobicContact CD1-CG2 4.08Å; I147-I180 HydrophobicContact CG1-CD1 3.99Å; I147-I180 HydrophobicContact CG1-CG2 4.04Å; I147-I180 HydrophobicContact CG2-CD1 4.22Å; I147-L182 HydrophobicContact CD1-CD1 3.89Å; I147-L182 HydrophobicContact CD1-CG 4.31Å
148C98.7Very high98.3Very high2 Ų245.7 Ų45.71%0.01424%0.239CC..Hα-helixtrans-62.6-42.8-178.8-64.70000112.1F144 R146 S152 L209 L212 N213 T216F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 VanDerWaalsContact CZ-SG 3.54Å; F144-C148 PolarHBondContact O-N 2.97Å; F144-C148 PolarHBondContact O-SG 2.75Å; R146-C148 PolarHBondContact O-N 3.23Å; C148-S152 WeakPolarHBondContact O-CB 3.21Å; C148-S152 PolarHBondContact O-N 3.16Å; C148-S152 VanDerWaalsContact O-N 3.08Å; C148-S152 PolarHBondContact O-OG 3.19Å; C148-L209 HydrophobicContact CB-CD2 4.32Å; C148-L212 HydrophobicContact CB-CB 4.43Å; C148-N213 WeakPolarHBondContact CB-OD1 3.29Å; C148-N213 PolarHBondContact O-ND2 2.92Å; C148-T216 HydrophobicContact CB-CG2 4.19Å
149R98.4Very high98.3Very high128 Ų12844 Ų4448%0.48323%0.234SC..Hα-helixtrans-65-48.8177.8-179-177.361.5-166.6-8.8111.1A145 R146 I147 S152 H153 N213A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 PolarHBondContact O-N 3.02Å; A145-R149 VanDerWaalsContact O-N 3.13Å; R146-R149 PolarHBondContact O-N 3.08Å; I147-R149 PolarHBondContact O-N 3.08Å; R149-S152 PolarHBondContact O-N 3.13Å; R149-S152 PolarHBondContact O-OG 3.35Å; R149-H153 PolarHBondContact O-CE1 2.63Å; R149-H153 PolarHBondContact O-ND1 2.85Å; R149-N213 PolarHBondContact N-OD1 2.98Å
150D98.4Very high98.2Very high65 Ų6544 Ų4435%0.34823%0.234SC..Hα-helixtrans-65.5-44.7-174.8-65.30.4000110.3R146 I147 S152 H153R146-D150 VanDerWaalsContact CG-OD2 3.3Å; R146-D150 WeakPolarHBondContact CG-OD2 3.21Å; R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.42Å; I147-D150 PolarHBondContact O-N 3.38Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.1Å; D150-H153 WeakPolarHBondContact O-CB 3.16Å; D150-H153 PolarHBondContact O-N 3.01Å
151L98.6Very high98.2Very high4 Ų443.6 Ų43.62%0.02123%0.233CC..Hα-helixtrans-67.7-26.9176.8-66.6179.9000113.5I147 H153 I154 G155 V158 F169 A171 I180 L209I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.5Å; I147-L151 WeakPolarHBondContact O-CB 3.2Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 2.96Å; L151-H153 PolarHBondContact O-N 3.42Å; L151-I154 WeakPolarHBondContact O-CA 3.44Å; L151-I154 WeakPolarHBondContact O-CB 3.3Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-G155 PolarHBondContact O-N 3.39Å; L151-G155 VanDerWaalsContact O-N 3.11Å; L151-V158 HydrophobicContact CD1-CG2 3.74Å; L151-F169 HydrophobicContact CD1-CB 3.58Å; L151-A171 HydrophobicContact CB-CB 3.96Å; L151-A171 HydrophobicContact CD2-CB 4.05Å; L151-A171 HydrophobicContact CG-CB 4.4Å; L151-I180 HydrophobicContact CD2-CD1 4.25Å; L151-I180 HydrophobicContact CD2-CG1 4.48Å; L151-I180 HydrophobicContact CG-CD1 4.19Å; L151-L209 HydrophobicContact CB-CD1 3.95Å; L151-L209 HydrophobicContact CB-CD2 4.28Å
152S97.8Very high98.2Very high46 Ų4643.4 Ų43.432%0.32223%0.231SC..Hα-helixtrans-68.8-13.7174.969.60000114.3C148 R149 D150 I154 N213C148-S152 WeakPolarHBondContact O-CB 3.21Å; C148-S152 PolarHBondContact O-N 3.16Å; C148-S152 VanDerWaalsContact O-N 3.08Å; C148-S152 PolarHBondContact O-OG 3.19Å; R149-S152 PolarHBondContact O-N 3.13Å; R149-S152 PolarHBondContact O-OG 3.35Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.1Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-N213 VanDerWaalsContact CB-ND2 3.34Å; S152-N213 WeakPolarHBondContact CB-ND2 3.2Å; S152-N213 PolarHBondContact OG-ND2 3.42Å
153H97.3Very high98Very high124 Ų12443 Ų4357%0.57422%0.224SC*.THydrogen-bonded Turntrans-80.9-15.9168.2-62.283.5000112.3R149 D150 L151 L175R149-H153 PolarHBondContact O-CE1 2.63Å; R149-H153 PolarHBondContact O-ND1 2.85Å; D150-H153 WeakPolarHBondContact O-CB 3.16Å; D150-H153 PolarHBondContact O-N 3.01Å; L151-H153 PolarHBondContact O-N 3.42Å; H153-L175 WeakPolarHBondContact O-CD1 3.29Å
154I98.1Very high97.5Very high50 Ų5049.4 Ų49.426%0.25625%0.251SS..THydrogen-bonded Turntrans-95.6-45.2-177.4-54.2-58.5000111.1L151 S152 A171 G173 G176L151-I154 WeakPolarHBondContact O-CA 3.44Å; L151-I154 WeakPolarHBondContact O-CB 3.3Å; L151-I154 PolarHBondContact O-N 2.91Å; S152-I154 VanDerWaalsContact C-N 3.32Å; I154-A171 HydrophobicContact CB-CB 4.37Å; I154-A171 HydrophobicContact CG2-CB 4.47Å; I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; I154-G173 PolarHBondContact O-N 3.37Å; I154-G176 VanDerWaalsContact CG2-O 3.24Å; I154-G176 WeakPolarHBondContact CG2-O 3.35Å
155G97.4Very high97Very high10 Ų1054 Ų5410%0.10328%0.275CS..  trans-160.6173.3179.800000113L151 L209L151-G155 PolarHBondContact O-N 3.39Å; L151-G155 VanDerWaalsContact O-N 3.11Å; G155-L209 VanDerWaalsContact O-CD1 3.23Å; G155-L209 WeakPolarHBondContact O-CD1 3.19Å
156D97.2Very high96.8Very high136 Ų13653.2 Ų53.273%0.72727%0.27SS*.SBendtrans-85.1-12.8-174.4-65.7-37.8000114.1L209D156-L209 PolarHBondContact O-N 3.38Å
157A97.8Very high96.8Very high26 Ų2647 Ų4722%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-130.3150-178.200000111.4A171 T206 F207 K254A157-A171 WeakPolarHBondContact O-CB 3.43Å; A157-T206 HydrophobicContact CB-CG2 3.91Å; A157-F207 CarbonylContact C-O 3.54Å; A157-F207 WeakPolarHBondContact CA-O 3.43Å; A157-K254 HydrophobicContact CB-CD 4.2Å
158V98.5Very high96.8Very high2 Ų250.7 Ų50.71%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-118.9130.617261.60000109.6L151 I160 F169 S170 T206 F207 L209 L212L151-V158 HydrophobicContact CD1-CG2 3.74Å; V158-I160 HydrophobicContact CG1-CD1 4.36Å; V158-I160 HydrophobicContact CG1-CG1 4.12Å; V158-I160 HydrophobicContact CG2-CG1 4.15Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V158-S170 CarbonylContact C-O 3.55Å; V158-S170 VanDerWaalsContact CA-O 3.31Å; V158-S170 WeakPolarHBondContact CA-O 3.49Å; V158-T206 CarbonylContact O-C 3.57Å; V158-T206 WeakPolarHBondContact O-CA 3.39Å; V158-F207 HydrophobicContact CG1-CB 4.37Å; V158-F207 PolarHBondContact N-O 2.81Å; V158-F207 PolarHBondContact O-N 3.47Å; V158-L209 HydrophobicContact CB-CD1 4.05Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.79Å; V158-L209 HydrophobicContact CG1-CD2 3.75Å; V158-L209 HydrophobicContact CG1-CG 3.88Å; V158-L212 HydrophobicContact CG1-CD1 3.44Å; V158-L212 VanDerWaalsContact CG1-CD1 3.44Å
159V98.2Very high96.8Very high35 Ų3550.7 Ų50.721%0.21226%0.262CS..EExtended strand (participates in β ladder)trans-86.1118.1164.3-176.10000107.1F169 S170 Q204 L205 T206V159-F169 WeakPolarHBondContact O-CA 3.45Å; V159-S170 PolarHBondContact N-O 3.04Å; V159-S170 PolarHBondContact O-N 3.46Å; V159-Q204 HydrophobicContact CG1-CG 3.47Å; V159-Q204 VanDerWaalsContact CG1-CG 3.47Å; V159-L205 WeakPolarHBondContact CA-O 3.34Å; V159-T206 HydrophobicContact CG2-CG2 4.46Å
160I98.2Very high96.8Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-103.3114.6173.6-51.1-179.8000107.3V158 V167 K168 F169 Q204 L205 F207 L212 M229 L235V158-I160 HydrophobicContact CG1-CD1 4.36Å; V158-I160 HydrophobicContact CG1-CG1 4.12Å; V158-I160 HydrophobicContact CG2-CG1 4.15Å; I160-V167 HydrophobicContact CG2-CG2 3.95Å; I160-K168 WeakPolarHBondContact CA-O 3.46Å; I160-F169 HydrophobicContact CD1-CD1 4.17Å; I160-F169 HydrophobicContact CD1-CE1 3.92Å; I160-F169 HydrophobicContact CG1-CD1 3.83Å; I160-F169 HydrophobicContact CG1-CE1 4.01Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.94Å; I160-F169 HydrophobicContact CG2-CZ 4.45Å; I160-Q204 WeakPolarHBondContact O-CA 3.43Å; I160-L205 PolarHBondContact N-O 3.02Å; I160-L205 PolarHBondContact O-N 3.37Å; I160-F207 HydrophobicContact CB-CE2 4.46Å; I160-F207 HydrophobicContact CD1-CD2 3.68Å; I160-F207 HydrophobicContact CD1-CE2 4.03Å; I160-F207 HydrophobicContact CG1-CD2 4.02Å; I160-F207 HydrophobicContact CG1-CE2 4.37Å; I160-L212 HydrophobicContact CD1-CD1 4.42Å; I160-M229 HydrophobicContact CB-SD 4.24Å; I160-M229 HydrophobicContact CG2-CE 4.18Å; I160-M229 HydrophobicContact CG2-SD 3.6Å; I160-M229 VanDerWaalsContact CG2-SD 3.6Å; I160-L235 HydrophobicContact CD1-CD2 4.37Å
161S97.5Very high96.8Very high21 Ų2142.4 Ų42.415%0.14723%0.229CC..EExtended strand (participates in β ladder)trans-115.3126.1178.1-47.60000109.5V167 K168 V203 Q204S161-V167 CarbonylContact O-C 3.59Å; S161-V167 WeakPolarHBondContact O-CA 3.22Å; S161-K168 PolarHBondContact N-O 3.36Å; S161-K168 PolarHBondContact O-N 2.93Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; S161-Q204 WeakPolarHBondContact OG-CG 3.46Å; S161-Q204 PolarHBondContact OG-OE1 2.88Å
162C97.6Very high96.8Very high1 Ų146.1 Ų46.11%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-114.3124.3171.3-172.30000109.5C135 P202 V203 M229C135-C162 HydrophobicContact CB-CB 4Å; C135-C162 VanDerWaalsContact SG-CB 3.55Å; C135-C162 VanDerWaalsContact SG-SG 3.66Å; C162-P202 VanDerWaalsContact O-CA 3.3Å; C162-P202 WeakPolarHBondContact O-CA 3.49Å; C162-V203 HydrophobicContact CB-CG1 4.1Å; C162-V203 PolarHBondContact N-O 3.4Å; C162-V203 PolarHBondContact O-N 3.12Å; C162-V203 VanDerWaalsContact O-N 3.1Å; C162-M229 HydrophobicContact CB-CE 3.99Å
163A94.5Very high96.7Very high34 Ų3445.7 Ų45.728%0.28126%0.258SS..EExtended strand (participates in β ladder)trans-141179.8-179.400000109.9D165 G166 M199A163-D165 PolarHBondContact O-N 2.94Å; A163-G166 PolarHBondContact N-O 3.3Å; A163-G166 PolarHBondContact O-N 3.15Å; A163-G166 VanDerWaalsContact O-O 3.07Å; A163-M199 WeakPolarHBondContact CA-SD 3.47Å
164K89Confident96.6Very high199 Ų19949.8 Ų49.887%0.86528%0.277SS*.THydrogen-bonded Turntrans-55.5-26.7-177.3-68.9-174.5177.9179.60114.1M199K164-M199 HydrophobicContact CB-CE 4.41Å; K164-M199 HydrophobicContact CG-CE 3.59Å
165D87.5Confident96.4Very high97 Ų9754.4 Ų54.452%0.51930%0.302SS..THydrogen-bonded Turntrans-95.70.5-174.769.6-32.2000113.5A163 K181A163-D165 PolarHBondContact O-N 2.94Å; D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 2.99Å; D165-K181 WeakPolarHBondContact OD2-CE 3.48Å; D165-K181 IonicContact OD2-NZ 3.46Å; D165-K181 PolarHBondContact OD2-NZ 2.62Å
166G95.5Very high96.3Very high5 Ų555.3 Ų55.35%0.05231%0.311CS..EExtended strand (participates in β ladder)trans137.3-166.6175.300000114A163 L182A163-G166 PolarHBondContact N-O 3.3Å; A163-G166 PolarHBondContact O-N 3.15Å; A163-G166 VanDerWaalsContact O-O 3.07Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.29Å; G166-L182 WeakPolarHBondContact CA-O 3.46Å
167V98.1Very high96.4Very high0 Ų054.4 Ų54.40%031%0.306CS..EExtended strand (participates in β ladder)trans-104.8136.2169.263.30000109.4V137 M139 I160 S161 F169 K181 L182 I197V137-V167 HydrophobicContact CG1-CB 4.44Å; V137-V167 HydrophobicContact CG1-CG1 4.01Å; V137-V167 HydrophobicContact CG2-CB 4.37Å; V137-V167 HydrophobicContact CG2-CG2 4.49Å; M139-V167 HydrophobicContact CE-CG1 4.35Å; I160-V167 HydrophobicContact CG2-CG2 3.95Å; S161-V167 CarbonylContact O-C 3.59Å; S161-V167 WeakPolarHBondContact O-CA 3.22Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.49Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.94Å; V167-K181 CarbonylContact O-C 3.52Å; V167-K181 WeakPolarHBondContact O-CA 3.5Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.48Å; V167-L182 PolarHBondContact N-O 2.78Å; V167-L182 PolarHBondContact O-N 3.34Å; V167-I197 HydrophobicContact CG1-CD1 4.4Å
168K98.4Very high96.4Very high80 Ų8053.8 Ų53.835%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-122.6136.1-179.7-170.7-171.5179.1-148.70109.8I160 S161 S170 N179 I180I160-K168 WeakPolarHBondContact CA-O 3.46Å; S161-K168 PolarHBondContact N-O 3.36Å; S161-K168 PolarHBondContact O-N 2.93Å; K168-S170 WeakPolarHBondContact CE-OG 3.45Å; K168-S170 PolarHBondContact NZ-OG 3.41Å; K168-S170 VanDerWaalsContact NZ-OG 3.12Å; K168-N179 WeakPolarHBondContact CE-OD1 3.39Å; K168-N179 PolarHBondContact NZ-OD1 3.5Å; K168-I180 CarbonylContact C-O 3.54Å; K168-I180 WeakPolarHBondContact CA-O 3.27Å
169F98.7Very high96.3Very high2 Ų258.2 Ų58.21%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-115.6120.1173.7-58-95.2000108.4M139 F144 I147 L151 V158 V159 I160 V167 N179 I180 L182 L227M139-F169 HydrophobicContact CE-CE2 4.37Å; M139-F169 HydrophobicContact CE-CZ 3.96Å; M139-F169 HydrophobicContact SD-CZ 4.38Å; F144-F169 HydrophobicContact CD2-CE1 4.34Å; F144-F169 HydrophobicContact CD2-CZ 4.45Å; F144-F169 HydrophobicContact CE2-CE1 4.1Å; I147-F169 HydrophobicContact CD1-CD2 4.07Å; I147-F169 HydrophobicContact CD1-CE2 4.03Å; I147-F169 HydrophobicContact CG2-CB 3.79Å; I147-F169 HydrophobicContact CG2-CD1 3.88Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CE1 4.48Å; I147-F169 HydrophobicContact CG2-CG 3.63Å; L151-F169 HydrophobicContact CD1-CB 3.58Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V159-F169 WeakPolarHBondContact O-CA 3.45Å; I160-F169 HydrophobicContact CD1-CD1 4.17Å; I160-F169 HydrophobicContact CD1-CE1 3.92Å; I160-F169 HydrophobicContact CG1-CD1 3.83Å; I160-F169 HydrophobicContact CG1-CE1 4.01Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.94Å; I160-F169 HydrophobicContact CG2-CZ 4.45Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.49Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.94Å; F169-N179 WeakPolarHBondContact O-CA 3.1Å; F169-I180 PolarHBondContact N-O 3.41Å; F169-I180 PolarHBondContact O-N 2.82Å; F169-L182 HydrophobicContact CE2-CD1 4.36Å; F169-L227 HydrophobicContact CE1-CD1 4.26Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å
170S98.6Very high96.4Very high16 Ų1658.6 Ų58.611%0.11233%0.326CS..EExtended strand (participates in β ladder)trans-125.6132.9-176.9-72.40000110.6V158 V159 K168 G178 N179V158-S170 CarbonylContact C-O 3.55Å; V158-S170 VanDerWaalsContact CA-O 3.31Å; V158-S170 WeakPolarHBondContact CA-O 3.49Å; V159-S170 PolarHBondContact N-O 3.04Å; V159-S170 PolarHBondContact O-N 3.46Å; K168-S170 WeakPolarHBondContact CE-OG 3.45Å; K168-S170 PolarHBondContact NZ-OG 3.41Å; K168-S170 VanDerWaalsContact NZ-OG 3.12Å; S170-G178 VanDerWaalsContact CA-O 3.31Å; S170-G178 WeakPolarHBondContact CA-O 3.4Å; S170-N179 PolarHBondContact OG-OD1 3.27Å
171A98.4Very high96.3Very high3 Ų363.2 Ų63.23%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-132.5145.2171.400000109.7L151 I154 A157 N177 G178 L209L151-A171 HydrophobicContact CB-CB 3.96Å; L151-A171 HydrophobicContact CD2-CB 4.05Å; L151-A171 HydrophobicContact CG-CB 4.4Å; I154-A171 HydrophobicContact CB-CB 4.37Å; I154-A171 HydrophobicContact CG2-CB 4.47Å; A157-A171 WeakPolarHBondContact O-CB 3.43Å; A171-N177 CarbonylContact O-C 3.55Å; A171-N177 WeakPolarHBondContact O-CA 3.34Å; A171-G178 PolarHBondContact N-O 2.6Å; A171-G178 PolarHBondContact O-N 3.47Å; A171-L209 HydrophobicContact CB-CD1 4.3Å
172S97.7Very high96.3Very high82 Ų8263.3 Ų63.357%0.57335%0.345SS*.EExtended strand (participates in β ladder)trans-131139.8178.1-70.70000109.1N177S172-N177 VanDerWaalsContact CB-OD1 3.28Å; S172-N177 WeakPolarHBondContact CB-OD1 3.32Å; S172-N177 PolarHBondContact OG-OD1 3.17Å
173G96.5Very high96.2Very high37 Ų3766.4 Ų66.438%0.38137%0.366SS..EExtended strand (participates in β ladder)trans-167.1-167.2174.700000111.5I154 L175 G176I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; I154-G173 PolarHBondContact O-N 3.37Å; G173-L175 VanDerWaalsContact C-N 3.27Å; G173-L175 PolarHBondContact O-N 2.87Å; G173-G176 PolarHBondContact N-O 2.95Å; G173-G176 PolarHBondContact O-N 2.93Å
174E95.1Very high96.2Very high209 Ų20969.7 Ų69.798%0.97738%0.376SS*.THydrogen-bonded Turntrans-61.5-33.7-172-63.3-174.2168.800113.5G176E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 2.87Å
175L93.8Very high96.3Very high148 Ų14862.7 Ų62.778%0.77535%0.35SS*.THydrogen-bonded Turntrans-75.1-15.9178.9-67.3176.5000113.2H153 G173H153-L175 WeakPolarHBondContact O-CD1 3.29Å; G173-L175 VanDerWaalsContact C-N 3.27Å; G173-L175 PolarHBondContact O-N 2.87Å
176G96.4Very high96.1Very high28 Ų2863.5 Ų63.529%0.28936%0.363SS..EExtended strand (participates in β ladder)trans132.5-149.1-179.700000113.2I154 G173 E174I154-G176 VanDerWaalsContact CG2-O 3.24Å; I154-G176 WeakPolarHBondContact CG2-O 3.35Å; G173-G176 PolarHBondContact N-O 2.95Å; G173-G176 PolarHBondContact O-N 2.93Å; E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 2.87Å
177N97.7Very high95.5Very high118 Ų11870.5 Ų70.563%0.63140%0.4SS*.EExtended strand (participates in β ladder)trans-121.7134.6-174.4-60.1-44000111A171 S172A171-N177 CarbonylContact O-C 3.55Å; A171-N177 WeakPolarHBondContact O-CA 3.34Å; S172-N177 VanDerWaalsContact CB-OD1 3.28Å; S172-N177 WeakPolarHBondContact CB-OD1 3.32Å; S172-N177 PolarHBondContact OG-OD1 3.17Å
178G98Very high94.9Very high12 Ų1273 Ų7312%0.12442%0.415CS..EExtended strand (participates in β ladder)trans-112.1134.917300000110.1S170 A171S170-G178 VanDerWaalsContact CA-O 3.31Å; S170-G178 WeakPolarHBondContact CA-O 3.4Å; A171-G178 PolarHBondContact N-O 2.6Å; A171-G178 PolarHBondContact O-N 3.47Å
179N97.9Very high94.4Very high95 Ų9577.2 Ų77.251%0.50844%0.441SS..EExtended strand (participates in β ladder)trans-139119.7177.3-66.5-88.4000109.3K168 F169 S170K168-N179 WeakPolarHBondContact CE-OD1 3.39Å; K168-N179 PolarHBondContact NZ-OD1 3.5Å; F169-N179 WeakPolarHBondContact O-CA 3.1Å; S170-N179 PolarHBondContact OG-OD1 3.27Å
180I98.3Very high94Very high44 Ų4482.2 Ų82.223%0.22646%0.463CS..EExtended strand (participates in β ladder)trans-122.1132.3176.3-56.5172.9000107.7I147 L151 K168 F169I147-I180 HydrophobicContact CB-CD1 4.34Å; I147-I180 HydrophobicContact CD1-CG2 4.08Å; I147-I180 HydrophobicContact CG1-CD1 3.99Å; I147-I180 HydrophobicContact CG1-CG2 4.04Å; I147-I180 HydrophobicContact CG2-CD1 4.22Å; L151-I180 HydrophobicContact CD2-CD1 4.25Å; L151-I180 HydrophobicContact CD2-CG1 4.48Å; L151-I180 HydrophobicContact CG-CD1 4.19Å; K168-I180 CarbonylContact C-O 3.54Å; K168-I180 WeakPolarHBondContact CA-O 3.27Å; F169-I180 PolarHBondContact N-O 3.41Å; F169-I180 PolarHBondContact O-N 2.82Å
181K98Very high93.5Very high96 Ų9689.5 Ų89.542%0.41750%0.495SS..EExtended strand (participates in β ladder)trans-126.5129.3-179.4-173.5-175.8174.5-170.30109.8D165 V167D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 2.99Å; D165-K181 WeakPolarHBondContact OD2-CE 3.48Å; D165-K181 IonicContact OD2-NZ 3.46Å; D165-K181 PolarHBondContact OD2-NZ 2.62Å; V167-K181 CarbonylContact O-C 3.52Å; V167-K181 WeakPolarHBondContact O-CA 3.5Å
182L97.4Very high93.2Very high24 Ų2493.3 Ų93.313%0.12651%0.512CS..EExtended strand (participates in β ladder)trans-110.5135.8170.9-55.2178.8000109M139 E143 I147 G166 V167 F169 V195M139-L182 HydrophobicContact CE-CD1 4.19Å; M139-L182 HydrophobicContact SD-CD1 3.73Å; E143-L182 HydrophobicContact CG-CD1 4.33Å; E143-L182 HydrophobicContact CG-CD2 4.4Å; I147-L182 HydrophobicContact CD1-CD1 3.89Å; I147-L182 HydrophobicContact CD1-CG 4.31Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.29Å; G166-L182 WeakPolarHBondContact CA-O 3.46Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.48Å; V167-L182 PolarHBondContact N-O 2.78Å; V167-L182 PolarHBondContact O-N 3.34Å; F169-L182 HydrophobicContact CE2-CD1 4.36Å; L182-V195 HydrophobicContact CB-CG1 4.27Å; L182-V195 HydrophobicContact CB-CG2 4.44Å; L182-V195 HydrophobicContact CD1-CG2 4.35Å
183S95.7Very high93Very high65 Ų6594 Ų9446%0.45551%0.507SS..  trans-108.9155.2176.9-56.70000109.9T185S183-T185 PolarHBondContact O-N 3.19Å
184Q93.9Very high93Very high103 Ų10393 Ų9348%0.48149%0.494SS..  trans-47.9125170.4-173.878.3-10.400109.6V195Q184-V195 PolarHBondContact OE1-O 3.18Å
185T91.2Very high93.1Very high52 Ų5283.6 Ų83.632%0.31945%0.451SS..  trans-85.8130.7178.2-32.30000109.5S183 V188 V195S183-T185 PolarHBondContact O-N 3.19Å; T185-V188 HydrophobicContact CG2-CG1 3.44Å; T185-V188 VanDerWaalsContact CG2-CG1 3.44Å; T185-V195 PolarHBondContact N-O 2.84Å; T185-V195 WeakPolarHBondContact OG1-CB 3.4Å; T185-V195 PolarHBondContact OG1-N 2.78Å
186S83.2Confident93.2Very high115 Ų11579 Ų7980%0.80443%0.429SS*.SBendtrans-90.7-35.7-175.644.30000113.5
187N83.1Confident93.2Very high152 Ų15278.9 Ų78.981%0.81342%0.422SS*.  trans-143.6126.1176.2-83.1-27.7000109.1
188V85.8Confident93.1Very high53 Ų5379.5 Ų79.532%0.32142%0.421SS..  trans-134.9149.1167.9-70.50000108.8T185 K190 E193 A194T185-V188 HydrophobicContact CG2-CG1 3.44Å; T185-V188 VanDerWaalsContact CG2-CG1 3.44Å; V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 WeakPolarHBondContact CG2-O 3.42Å; V188-K190 PolarHBondContact O-N 3.35Å; V188-E193 HydrophobicContact CB-CB 4.47Å; V188-E193 HydrophobicContact CG1-CB 4.45Å; V188-A194 HydrophobicContact CG2-CB 3.67Å
189D88Confident92.9Very high168 Ų16881.3 Ų81.390%0.89843%0.427SS*.SBendtrans-69.7-28.5177.6-66.8-31.1000111.8
190K89.2Confident92.8Very high107 Ų10782.8 Ų82.847%0.46544%0.435SS..SBendtrans-128.9130.8179.4-56.6-178.8-168.7160.10110.7V188 E192 E193V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 WeakPolarHBondContact CG2-O 3.42Å; V188-K190 PolarHBondContact O-N 3.35Å; K190-E192 HydrophobicContact CB-CG 4.04Å; K190-E192 PolarHBondContact O-N 3.26Å; K190-E192 VanDerWaalsContact O-N 3.12Å; K190-E193 HydrophobicContact CB-CG 4.23Å; K190-E193 IonicContact NZ-OE1 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 2.97Å
191E89.1Confident92.6Very high168 Ų16886.9 Ų86.979%0.78545%0.453SS*.G310 helixtrans-57.4-29.8-179.8-67.5-173.8172.700113.7E193 A194E191-E193 PolarHBondContact O-N 2.57Å; E191-A194 VanDerWaalsContact O-CB 3.29Å; E191-A194 WeakPolarHBondContact O-CB 3.43Å; E191-A194 PolarHBondContact O-N 3Å
192E91.3Very high92.5Very high84 Ų8486.9 Ų86.939%0.39346%0.463SS..G310 helixtrans-71.8-13.7178.362.9-166-179.100114.4K190 S223 T224K190-E192 HydrophobicContact CB-CG 4.04Å; K190-E192 PolarHBondContact O-N 3.26Å; K190-E192 VanDerWaalsContact O-N 3.12Å; E192-S223 WeakPolarHBondContact CB-OG 3.45Å; E192-S223 WeakPolarHBondContact OE2-CB 3.45Å; E192-S223 PolarHBondContact OE2-OG 3.04Å; E192-T224 HydrophobicContact CB-CG2 3.97Å
193E93.7Very high92.5Very high97 Ų9786.4 Ų86.445%0.45346%0.461SS..G310 helixtrans-91.7-9.1173.7-62.9178.1-172.200111.9V188 K190 E191V188-E193 HydrophobicContact CB-CB 4.47Å; V188-E193 HydrophobicContact CG1-CB 4.45Å; K190-E193 HydrophobicContact CB-CG 4.23Å; K190-E193 IonicContact NZ-OE1 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 2.97Å; E191-E193 PolarHBondContact O-N 2.57Å
194A95.4Very high92.5Very high15 Ų1589.6 Ų89.612%0.12447%0.468CS..  trans-73.8144.6-178.200000112.6V188 E191V188-A194 HydrophobicContact CG2-CB 3.67Å; E191-A194 VanDerWaalsContact O-CB 3.29Å; E191-A194 WeakPolarHBondContact O-CB 3.43Å; E191-A194 PolarHBondContact O-N 3Å
195V97.2Very high92.7Very high12 Ų1285.8 Ų85.87%0.07345%0.451CS..  trans-100.6119159.3-177.20000108.6K138 M139 L182 Q184 T185 I197K138-V195 CarbonylContact O-C 3.54Å; K138-V195 WeakPolarHBondContact O-CA 3.24Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.1Å; L182-V195 HydrophobicContact CB-CG1 4.27Å; L182-V195 HydrophobicContact CB-CG2 4.44Å; L182-V195 HydrophobicContact CD1-CG2 4.35Å; Q184-V195 PolarHBondContact OE1-O 3.18Å; T185-V195 PolarHBondContact N-O 2.84Å; T185-V195 WeakPolarHBondContact OG1-CB 3.4Å; T185-V195 PolarHBondContact OG1-N 2.78Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 4.1Å
196T96.3Very high93Very high50 Ų5084.3 Ų84.331%0.30744%0.442SS..EExtended strand (participates in β ladder)trans-115.7132.5175.6-48.40000109.5V137 K138V137-T196 CarbonylContact C-O 3.58Å; V137-T196 WeakPolarHBondContact CA-O 3.2Å; K138-T196 PolarHBondContact N-O 2.79Å; K138-T196 PolarHBondContact O-N 3.16Å
197I96.6Very high93.7Very high27 Ų2778.8 Ų78.814%0.13840%0.404CS..EExtended strand (participates in β ladder)trans-131.1112.6-175.1-57.1175.1000106.9V137 V167 V195 M199V137-I197 HydrophobicContact CG1-CG1 4.15Å; V137-I197 HydrophobicContact CG2-CG1 4.43Å; V137-I197 HydrophobicContact CG2-CG2 4.33Å; V167-I197 HydrophobicContact CG1-CD1 4.4Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 4.1Å; I197-M199 HydrophobicContact CG2-CB 4.44Å
198E95.6Very high94.4Very high131 Ų13172.4 Ų72.461%0.61237%0.372SS*.EExtended strand (participates in β ladder)trans-103.2118168-65.2176.6-168.600107.1C135 V136C135-E198 CarbonylContact C-O 3.55Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.23Å; V136-E198 HydrophobicContact CB-CB 4.39Å; V136-E198 PolarHBondContact N-O 3.34Å; V136-E198 PolarHBondContact O-N 2.98Å
199M94.8Very high95Very high50 Ų5070 Ų7025%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-131.6115.9-175.8-176-165.275.700110.1A163 K164 I197 P202A163-M199 WeakPolarHBondContact CA-SD 3.47Å; K164-M199 HydrophobicContact CB-CE 4.41Å; K164-M199 HydrophobicContact CG-CE 3.59Å; I197-M199 HydrophobicContact CG2-CB 4.44Å; M199-P202 HydrophobicContact SD-CG 4.44Å
200N94.2Very high95.4Very high125 Ų12570.5 Ų70.567%0.66835%0.346SS*.SBendtrans-86.4-49.1169.9-65.1-37.9000110.2Y133 S134Y133-N200 PolarHBondContact O-ND2 3.36Å; S134-N200 PolarHBondContact O-N 3.1Å
201E95.2Very high95.9Very high130 Ų13066.8 Ų66.861%0.60733%0.33SS*.SBendtrans-135.9143.2-179.8-63.7-174.5168.100110.2S134 C135S134-E201 PolarHBondContact O-N 3.06Å; C135-E201 PolarHBondContact SG-O 3.43Å
202P96.4Very high96.3Very high97 Ų9758.8 Ų58.863%0.6329%0.292SS*.  trans-61138.9174.3-20.132.2000111.3C162 M199C162-P202 VanDerWaalsContact O-CA 3.3Å; C162-P202 WeakPolarHBondContact O-CA 3.49Å; M199-P202 HydrophobicContact SD-CG 4.44Å
203V96.5Very high96.6Very high13 Ų1356.6 Ų56.68%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-131.3143178.377.70000110.1C135 S161 C162 L205 M229C135-V203 HydrophobicContact CB-CG1 3.97Å; C135-V203 WeakPolarHBondContact SG-CG1 3.4Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; C162-V203 HydrophobicContact CB-CG1 4.1Å; C162-V203 PolarHBondContact N-O 3.4Å; C162-V203 PolarHBondContact O-N 3.12Å; C162-V203 VanDerWaalsContact O-N 3.1Å; V203-L205 HydrophobicContact CG2-CD1 3.97Å; V203-L205 HydrophobicContact CG2-CG 4.04Å; V203-M229 HydrophobicContact CG1-CB 3.8Å; V203-M229 HydrophobicContact CG1-CE 4.18Å; V203-M229 HydrophobicContact CG1-SD 4.42Å
204Q96.7Very high96.8Very high132 Ų13254.1 Ų54.162%0.61727%0.271SS*.EExtended strand (participates in β ladder)trans-138.3122171178.3172.6-6900109V159 I160 S161V159-Q204 HydrophobicContact CG1-CG 3.47Å; V159-Q204 VanDerWaalsContact CG1-CG 3.47Å; I160-Q204 WeakPolarHBondContact O-CA 3.43Å; S161-Q204 WeakPolarHBondContact OG-CG 3.46Å; S161-Q204 PolarHBondContact OG-OE1 2.88Å
205L97.1Very high97Very high24 Ų2453.4 Ų53.413%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-139.4149.7-178.3-64.8167.1000110.4V159 I160 V203 F207 S230 P253V159-L205 WeakPolarHBondContact CA-O 3.34Å; I160-L205 PolarHBondContact N-O 3.02Å; I160-L205 PolarHBondContact O-N 3.37Å; V203-L205 HydrophobicContact CG2-CD1 3.97Å; V203-L205 HydrophobicContact CG2-CG 4.04Å; L205-F207 HydrophobicContact CB-CD2 4.44Å; L205-F207 HydrophobicContact CB-CE1 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.48Å; L205-F207 VanDerWaalsContact CB-CE2 3.48Å; L205-F207 HydrophobicContact CB-CZ 3.47Å; L205-F207 VanDerWaalsContact CB-CZ 3.47Å; L205-F207 HydrophobicContact CD1-CE2 4.4Å; L205-F207 HydrophobicContact CD1-CZ 3.8Å; L205-F207 HydrophobicContact CG-CZ 4.26Å; L205-S230 WeakPolarHBondContact CD1-O 3.36Å; L205-P253 HydrophobicContact CB-CB 4.47Å; L205-P253 HydrophobicContact CD2-CB 4.2Å
206T97.8Very high97.1Very high20 Ų2053.7 Ų53.712%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-106.5135.1179.9-58.50000110A157 V158 V159 P253 K254A157-T206 HydrophobicContact CB-CG2 3.91Å; V158-T206 CarbonylContact O-C 3.57Å; V158-T206 WeakPolarHBondContact O-CA 3.39Å; V159-T206 HydrophobicContact CG2-CG2 4.46Å; T206-P253 CarbonylContact O-C 3.59Å; T206-P253 WeakPolarHBondContact O-CA 3.49Å; T206-K254 HydrophobicContact CG2-CB 4.08Å; T206-K254 HydrophobicContact CG2-CD 4.32Å; T206-K254 PolarHBondContact O-N 2.84Å
207F97.9Very high97.1Very high0 Ų055 Ų550%027%0.268CS..EExtended strand (participates in β ladder)trans-133.5149.4-179.5-59.2-75.9000111.8A157 V158 I160 L205 L209 L212 L235 L251 P253A157-F207 CarbonylContact C-O 3.54Å; A157-F207 WeakPolarHBondContact CA-O 3.43Å; V158-F207 HydrophobicContact CG1-CB 4.37Å; V158-F207 PolarHBondContact N-O 2.81Å; V158-F207 PolarHBondContact O-N 3.47Å; I160-F207 HydrophobicContact CB-CE2 4.46Å; I160-F207 HydrophobicContact CD1-CD2 3.68Å; I160-F207 HydrophobicContact CD1-CE2 4.03Å; I160-F207 HydrophobicContact CG1-CD2 4.02Å; I160-F207 HydrophobicContact CG1-CE2 4.37Å; L205-F207 HydrophobicContact CB-CD2 4.44Å; L205-F207 HydrophobicContact CB-CE1 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.48Å; L205-F207 VanDerWaalsContact CB-CE2 3.48Å; L205-F207 HydrophobicContact CB-CZ 3.47Å; L205-F207 VanDerWaalsContact CB-CZ 3.47Å; L205-F207 HydrophobicContact CD1-CE2 4.4Å; L205-F207 HydrophobicContact CD1-CZ 3.8Å; L205-F207 HydrophobicContact CG-CZ 4.26Å; F207-L209 PolarHBondContact O-N 3.12Å; F207-L212 HydrophobicContact CB-CD1 4.19Å; F207-L235 HydrophobicContact CD1-CB 4.23Å; F207-L235 HydrophobicContact CD1-CD2 4.35Å; F207-L235 HydrophobicContact CD2-CD2 4.11Å; F207-L235 HydrophobicContact CE1-CB 3.46Å; F207-L235 VanDerWaalsContact CE1-CB 3.46Å; F207-L235 HydrophobicContact CE1-CD2 4.29Å; F207-L235 HydrophobicContact CE2-CB 4.11Å; F207-L235 HydrophobicContact CE2-CD2 4.03Å; F207-L235 HydrophobicContact CG-CD2 4.27Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.14Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; F207-L251 HydrophobicContact CB-CD2 3.92Å; F207-L251 HydrophobicContact CD1-CD2 3.97Å; F207-L251 HydrophobicContact CD1-CG 3.99Å; F207-L251 HydrophobicContact CG-CD2 4.24Å; F207-P253 HydrophobicContact CD1-CB 4.37Å; F207-P253 HydrophobicContact CE1-CB 3.8Å; F207-P253 HydrophobicContact CZ-CB 4.31Å
208A97.7Very high97.2Very high17 Ų1753.7 Ų53.714%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-70.2119.2171.500000110.9R210 Y211A208-R210 PolarHBondContact O-N 3.18Å; A208-Y211 HydrophobicContact CB-CD2 3.87Å; A208-Y211 HydrophobicContact CB-CE2 4.48Å; A208-Y211 PolarHBondContact O-N 2.91Å
209L98.1Very high97.4Very high2 Ų248.9 Ų48.91%0.0124%0.241CC..Hα-helixtrans-63-26.4-179.5-85.9162.4000112.9C148 L151 G155 D156 V158 A171 F207 Y211 L212 N213C148-L209 HydrophobicContact CB-CD2 4.32Å; L151-L209 HydrophobicContact CB-CD1 3.95Å; L151-L209 HydrophobicContact CB-CD2 4.28Å; G155-L209 VanDerWaalsContact O-CD1 3.23Å; G155-L209 WeakPolarHBondContact O-CD1 3.19Å; D156-L209 PolarHBondContact O-N 3.38Å; V158-L209 HydrophobicContact CB-CD1 4.05Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.79Å; V158-L209 HydrophobicContact CG1-CD2 3.75Å; V158-L209 HydrophobicContact CG1-CG 3.88Å; A171-L209 HydrophobicContact CB-CD1 4.3Å; F207-L209 PolarHBondContact O-N 3.12Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 2.87Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-N213 WeakPolarHBondContact O-CB 3.33Å; L209-N213 PolarHBondContact O-N 2.95Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.16Å
210R97.4Very high97.5Very high180 Ų18050.2 Ų50.268%0.67925%0.254SS*.Hα-helixtrans-55.4-46.6174.2-179.6176.1172.2176.8-4112.3A208 N213 F214A208-R210 PolarHBondContact O-N 3.18Å; R210-N213 PolarHBondContact O-N 3.13Å; R210-F214 HydrophobicContact CG-CE2 3.9Å; R210-F214 HydrophobicContact CG-CZ 4.09Å; R210-F214 PolarHBondContact O-N 2.88Å
211Y98.2Very high97.7Very high28 Ų2845.1 Ų45.111%0.1123%0.227CC..Hα-helixtrans-70.3-42.3179.5-74-79.7000111.7L22 D41 S43 V45 A208 L209 N213 F214 F215 L251L22-Y211 HydrophobicContact CD1-CD1 3.85Å; L22-Y211 HydrophobicContact CD1-CE1 4.11Å; D41-Y211 PolarHBondContact OD2-OH 2.82Å; S43-Y211 WeakPolarHBondContact CB-OH 3.32Å; S43-Y211 PolarHBondContact OG-OH 2.79Å; V45-Y211 HydrophobicContact CB-CE1 4.47Å; V45-Y211 HydrophobicContact CB-CE2 4.11Å; V45-Y211 HydrophobicContact CG1-CD2 4.29Å; V45-Y211 HydrophobicContact CG1-CE2 3.76Å; A208-Y211 HydrophobicContact CB-CD2 3.87Å; A208-Y211 HydrophobicContact CB-CE2 4.48Å; A208-Y211 PolarHBondContact O-N 2.91Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 2.87Å; Y211-N213 PolarHBondContact O-N 3.35Å; Y211-F214 HydrophobicContact CD1-CD2 4.35Å; Y211-F214 WeakPolarHBondContact O-CA 3.3Å; Y211-F214 WeakPolarHBondContact O-CB 3.35Å; Y211-F214 PolarHBondContact O-N 2.92Å; Y211-F215 VanDerWaalsContact O-CD1 3.23Å; Y211-F215 WeakPolarHBondContact O-CD1 3.44Å; Y211-F215 WeakPolarHBondContact O-CG 3.48Å; Y211-F215 PolarHBondContact O-N 3.15Å; Y211-L251 HydrophobicContact CD1-CD1 4.34Å; Y211-L251 HydrophobicContact CD2-CD1 3.91Å; Y211-L251 HydrophobicContact CG-CD1 3.72Å
212L98.5Very high97.8Very high1 Ų139.9 Ų39.91%0.00520%0.204CC..Hα-helixtrans-59.9-38.1176.5-61.5-178.8000111.7F144 C148 V158 I160 F207 L209 F214 F215 T216 L235 V237 L251F144-L212 HydrophobicContact CZ-CD2 4.35Å; C148-L212 HydrophobicContact CB-CB 4.43Å; V158-L212 HydrophobicContact CG1-CD1 3.44Å; V158-L212 VanDerWaalsContact CG1-CD1 3.44Å; I160-L212 HydrophobicContact CD1-CD1 4.42Å; F207-L212 HydrophobicContact CB-CD1 4.19Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 PolarHBondContact O-N 2.84Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 2.9Å; L212-F215 HydrophobicContact CD2-CD2 3.93Å; L212-F215 HydrophobicContact CD2-CE2 4.1Å; L212-F215 PolarHBondContact O-N 2.87Å; L212-F215 VanDerWaalsContact O-N 3.16Å; L212-T216 VanDerWaalsContact O-CG2 3.23Å; L212-T216 WeakPolarHBondContact O-CG2 3.31Å; L212-T216 PolarHBondContact O-N 2.73Å; L212-L235 HydrophobicContact CD2-CD2 3.88Å; L212-V237 HydrophobicContact CD2-CG2 4.44Å; L212-L251 HydrophobicContact CD2-CD2 3.64Å; L212-L251 HydrophobicContact CG-CD2 4.04Å
213N98.4Very high97.8Very high38 Ų3838.2 Ų38.220%0.20320%0.195CC..Hα-helixtrans-67.6-23.7172.7-80.2-45.7000114C148 R149 S152 L209 R210 Y211 T216C148-N213 WeakPolarHBondContact CB-OD1 3.29Å; C148-N213 PolarHBondContact O-ND2 2.92Å; R149-N213 PolarHBondContact N-OD1 2.98Å; S152-N213 VanDerWaalsContact CB-ND2 3.34Å; S152-N213 WeakPolarHBondContact CB-ND2 3.2Å; S152-N213 PolarHBondContact OG-ND2 3.42Å; L209-N213 WeakPolarHBondContact O-CB 3.33Å; L209-N213 PolarHBondContact O-N 2.95Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.16Å; R210-N213 PolarHBondContact O-N 3.13Å; Y211-N213 PolarHBondContact O-N 3.35Å; N213-T216 PolarHBondContact O-OG1 2.95Å; N213-T216 VanDerWaalsContact O-OG1 3.1Å
214F97.6Very high97.9Very high44 Ų4438.2 Ų38.219%0.19320%0.195CC..Hα-helixtrans-72.4-43.8167.1-64.1-37.8000111.1D21 L22 R210 Y211 L212 T216 K217D21-F214 HydrophobicContact CB-CD1 4.42Å; L22-F214 HydrophobicContact CD1-CD2 4.11Å; R210-F214 HydrophobicContact CG-CE2 3.9Å; R210-F214 HydrophobicContact CG-CZ 4.09Å; R210-F214 PolarHBondContact O-N 2.88Å; Y211-F214 HydrophobicContact CD1-CD2 4.35Å; Y211-F214 WeakPolarHBondContact O-CA 3.3Å; Y211-F214 WeakPolarHBondContact O-CB 3.35Å; Y211-F214 PolarHBondContact O-N 2.92Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 2.9Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.74Å; F214-K217 VanDerWaalsContact O-CB 3.28Å; F214-K217 WeakPolarHBondContact O-CB 3.37Å; F214-K217 WeakPolarHBondContact O-CG 3.44Å; F214-K217 PolarHBondContact O-N 2.92Å; F214-K217 VanDerWaalsContact O-N 3.15Å
215F98.5Very high98Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-64.1-34.8-178.9-55.5-12000112.2L22 S46 Y211 L212 K217 A218 V237 Y249 L251L22-F215 HydrophobicContact CD1-CE1 4.26Å; L22-F215 HydrophobicContact CD2-CD1 4.31Å; L22-F215 HydrophobicContact CD2-CE1 3.87Å; S46-F215 WeakPolarHBondContact OG-CE1 3.36Å; S46-F215 WeakPolarHBondContact OG-CZ 3.29Å; Y211-F215 VanDerWaalsContact O-CD1 3.23Å; Y211-F215 WeakPolarHBondContact O-CD1 3.44Å; Y211-F215 WeakPolarHBondContact O-CG 3.48Å; Y211-F215 PolarHBondContact O-N 3.15Å; L212-F215 HydrophobicContact CD2-CD2 3.93Å; L212-F215 HydrophobicContact CD2-CE2 4.1Å; L212-F215 PolarHBondContact O-N 2.87Å; L212-F215 VanDerWaalsContact O-N 3.16Å; F215-K217 PolarHBondContact O-N 2.65Å; F215-A218 VanDerWaalsContact O-CB 3.24Å; F215-A218 WeakPolarHBondContact O-CB 3.33Å; F215-A218 PolarHBondContact O-N 3.35Å; F215-V237 HydrophobicContact CD2-CB 4.13Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.27Å; F215-Y249 HydrophobicContact CB-CD2 3.77Å; F215-Y249 HydrophobicContact CB-CE2 3.97Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD2 4.08Å; F215-Y249 AromaticContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE2 4.5Å; F215-Y249 AromaticContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD1-CG 3.45Å; F215-Y249 VanDerWaalsContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD2-CD2 4.37Å; F215-Y249 HydrophobicContact CD2-CG 4.01Å; F215-Y249 AromaticContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CE1 4.41Å; F215-Y249 AromaticContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE2-CG 4.35Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CE1 4.47Å; F215-Y249 HydrophobicContact CG-CE2 4.38Å; F215-Y249 AromaticContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.31Å; F215-L251 HydrophobicContact CE2-CB 3.76Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.37Å; F215-L251 HydrophobicContact CZ-CB 3.96Å; F215-L251 HydrophobicContact CZ-CD1 4.31Å; F215-L251 HydrophobicContact CZ-CD2 4.35Å; F215-L251 HydrophobicContact CZ-CG 4.45Å
216T98.6Very high98.1Very high19 Ų1932 Ų3212%0.11717%0.167CC..G310 helixtrans-66.5-8.4179.160.40000113.6F144 A145 C148 L212 N213 F214 A218 T219F144-T216 HydrophobicContact CD1-CG2 3.75Å; F144-T216 HydrophobicContact CE1-CG2 3.77Å; A145-T216 HydrophobicContact CB-CG2 4.04Å; C148-T216 HydrophobicContact CB-CG2 4.19Å; L212-T216 VanDerWaalsContact O-CG2 3.23Å; L212-T216 WeakPolarHBondContact O-CG2 3.31Å; L212-T216 PolarHBondContact O-N 2.73Å; N213-T216 PolarHBondContact O-OG1 2.95Å; N213-T216 VanDerWaalsContact O-OG1 3.1Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.74Å; T216-A218 PolarHBondContact O-N 3.32Å; T216-T219 WeakPolarHBondContact O-CB 3.09Å; T216-T219 PolarHBondContact O-N 2.89Å; T216-T219 VanDerWaalsContact O-N 3.08Å; T216-T219 PolarHBondContact O-OG1 2.81Å
217K98.1Very high98.1Very high76 Ų7631 Ų3133%0.3316%0.161SC..G310 helixtrans-65.5-18.3167.1-64.3-179.1177.9175.30112.8D21 F214 F215 T219 P220D21-K217 HydrophobicContact CB-CD 4.47Å; D21-K217 WeakPolarHBondContact OD2-CD 2.9Å; D21-K217 IonicContact OD2-NZ 3.26Å; D21-K217 PolarHBondContact OD2-NZ 2.91Å; F214-K217 VanDerWaalsContact O-CB 3.28Å; F214-K217 WeakPolarHBondContact O-CB 3.37Å; F214-K217 WeakPolarHBondContact O-CG 3.44Å; F214-K217 PolarHBondContact O-N 2.92Å; F214-K217 VanDerWaalsContact O-N 3.15Å; F215-K217 PolarHBondContact O-N 2.65Å; K217-T219 VanDerWaalsContact C-N 3.27Å; K217-T219 PolarHBondContact O-N 2.86Å; K217-P220 WeakPolarHBondContact O-CD 3.3Å
218A98.5Very high98.2Very high0 Ų031.5 Ų31.50%017%0.165CC..G310 helixtrans-75-9.8171.100000114.1A18 F215 T216 P220 L221 Y239 L247 Y249A18-A218 HydrophobicContact CB-CB 3.89Å; F215-A218 VanDerWaalsContact O-CB 3.24Å; F215-A218 WeakPolarHBondContact O-CB 3.33Å; F215-A218 PolarHBondContact O-N 3.35Å; T216-A218 PolarHBondContact O-N 3.32Å; A218-P220 VanDerWaalsContact C-N 3.28Å; A218-P220 VanDerWaalsContact O-N 3.09Å; A218-L221 HydrophobicContact CB-CD1 4.04Å; A218-L221 WeakPolarHBondContact O-CB 3.16Å; A218-L221 PolarHBondContact O-N 3.04Å; A218-Y239 HydrophobicContact CB-CD1 4.01Å; A218-Y239 HydrophobicContact CB-CD2 3.43Å; A218-Y239 VanDerWaalsContact CB-CD2 3.43Å; A218-Y239 HydrophobicContact CB-CE1 4.21Å; A218-Y239 HydrophobicContact CB-CE2 3.66Å; A218-Y239 HydrophobicContact CB-CG 3.61Å; A218-L247 HydrophobicContact CB-CD2 4.02Å; A218-Y249 HydrophobicContact CB-CE2 3.94Å
219T98.6Very high98.1Very high30 Ų3030.7 Ų30.718%0.18416%0.158CC..G310 helixtrans-47-39.8-179.6-61.50000114.3T216 K217 L221 S222T216-T219 WeakPolarHBondContact O-CB 3.09Å; T216-T219 PolarHBondContact O-N 2.89Å; T216-T219 VanDerWaalsContact O-N 3.08Å; T216-T219 PolarHBondContact O-OG1 2.81Å; K217-T219 VanDerWaalsContact C-N 3.27Å; K217-T219 PolarHBondContact O-N 2.86Å; T219-L221 PolarHBondContact O-N 2.97Å; T219-S222 PolarHBondContact O-N 3.46Å
220P97.5Very high98Very high78 Ų7831.7 Ų31.751%0.50617%0.165SC..G310 helixtrans-67.8-11.1177.3-22.336000115.8K14 K217 A218K14-P220 HydrophobicContact CD-CB 4.16Å; K14-P220 WeakPolarHBondContact CD-O 3.48Å; K14-P220 WeakPolarHBondContact CE-O 3.42Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.3Å; K217-P220 WeakPolarHBondContact O-CD 3.3Å; A218-P220 VanDerWaalsContact C-N 3.28Å; A218-P220 VanDerWaalsContact O-N 3.09Å
221L97.4Very high97.8Very high19 Ų1925.6 Ų25.610%0.09915%0.153CC..G310 helixtrans-78.7-30177.1-67.2167.9000112.4K14 V15 A18 A218 T219 I241 L247K14-L221 HydrophobicContact CB-CD2 3.43Å; K14-L221 VanDerWaalsContact CB-CD2 3.43Å; K14-L221 HydrophobicContact CB-CG 4.02Å; K14-L221 HydrophobicContact CD-CD2 4.29Å; V15-L221 HydrophobicContact CG2-CD1 4.33Å; V15-L221 HydrophobicContact CG2-CD2 3.82Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A218-L221 HydrophobicContact CB-CD1 4.04Å; A218-L221 WeakPolarHBondContact O-CB 3.16Å; A218-L221 PolarHBondContact O-N 3.04Å; T219-L221 PolarHBondContact O-N 2.97Å; L221-I241 HydrophobicContact CD1-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; L221-L247 HydrophobicContact CD1-CB 4.46Å; L221-L247 HydrophobicContact CD1-CD2 3.78Å
222S97.9Very high97.2Very high20 Ų2032 Ų3214%0.1419%0.189CC..  trans-148.8139-173.9-1560000111.9S141 T219 T224 K240S141-S222 VanDerWaalsContact CB-O 3.29Å; S141-S222 WeakPolarHBondContact CB-O 3.46Å; S141-S222 PolarHBondContact OG-O 3.11Å; T219-S222 PolarHBondContact O-N 3.46Å; S222-T224 VanDerWaalsContact CB-O 3.24Å; S222-T224 WeakPolarHBondContact CB-O 3.46Å; S222-T224 PolarHBondContact O-N 3.15Å; S222-T224 PolarHBondContact OG-O 3.32Å; S222-K240 WeakPolarHBondContact CB-O 3.31Å; S222-K240 PolarHBondContact OG-O 3.4Å
223S97.5Very high97Very high61 Ų6133.4 Ų33.443%0.42720%0.197SC..SBendtrans-68.4-16.4172.552.70000113P140 S141 E192P140-S223 WeakPolarHBondContact CA-O 3.23Å; S141-S223 PolarHBondContact N-O 3.16Å; S141-S223 VanDerWaalsContact OG-C 3.28Å; S141-S223 PolarHBondContact OG-O 3.02Å; E192-S223 WeakPolarHBondContact CB-OG 3.45Å; E192-S223 WeakPolarHBondContact OE2-CB 3.45Å; E192-S223 PolarHBondContact OE2-OG 3.04Å
224T98.4Very high96.8Very high14 Ų1434.2 Ų34.29%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-126.5156.1178.863.10000111.9K138 M139 E192 S222K138-T224 WeakPolarHBondContact CE-OG1 3.43Å; M139-T224 CarbonylContact O-C 3.45Å; M139-T224 VanDerWaalsContact O-CA 3.28Å; M139-T224 WeakPolarHBondContact O-CA 3.38Å; E192-T224 HydrophobicContact CB-CG2 3.97Å; S222-T224 VanDerWaalsContact CB-O 3.24Å; S222-T224 WeakPolarHBondContact CB-O 3.46Å; S222-T224 PolarHBondContact O-N 3.15Å; S222-T224 PolarHBondContact OG-O 3.32Å
225V98.8Very high96.8Very high0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-127.1145.4171.564.20000108.8K138 M139 F144 L227 V237 E238 Y239K138-V225 WeakPolarHBondContact CA-O 3.47Å; M139-V225 HydrophobicContact CG-CG1 3.73Å; M139-V225 PolarHBondContact N-O 3.33Å; M139-V225 PolarHBondContact O-N 3Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.04Å; F144-V225 HydrophobicContact CD1-CG2 4.34Å; F144-V225 HydrophobicContact CG-CG1 3.93Å; V225-L227 HydrophobicContact CG2-CD2 4.31Å; V225-V237 HydrophobicContact CG2-CG1 3.57Å; V225-E238 WeakPolarHBondContact CA-O 3.44Å; V225-Y239 HydrophobicContact CB-CD1 4.24Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.26Å; V225-Y239 HydrophobicContact CG2-CD2 4.25Å; V225-Y239 HydrophobicContact CG2-CE1 3.79Å; V225-Y239 HydrophobicContact CG2-CE2 3.78Å; V225-Y239 HydrophobicContact CG2-CG 4.47Å
226T98.8Very high96.8Very high24 Ų2432.2 Ų32.215%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-116.1127175-52.90000109.9V136 V137 V237 E238V136-T226 HydrophobicContact CG1-CG2 3.54Å; V137-T226 CarbonylContact O-C 3.54Å; V137-T226 WeakPolarHBondContact O-CA 3.45Å; T226-V237 WeakPolarHBondContact O-CA 3.46Å; T226-E238 PolarHBondContact N-O 3.35Å; T226-E238 PolarHBondContact O-N 2.68Å
227L98.7Very high96.8Very high0 Ų031.3 Ų31.30%019%0.191CC..EExtended strand (participates in β ladder)trans-105.5121.5174.7-53.5-177.3000108.6V136 V137 M139 F144 F169 V225 L235 V236 V237V136-L227 CarbonylContact C-O 3.51Å; V136-L227 WeakPolarHBondContact CA-O 3.38Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 2.58Å; V137-L227 PolarHBondContact O-N 3.44Å; M139-L227 HydrophobicContact CE-CD1 3.92Å; F144-L227 HydrophobicContact CD2-CD1 4.11Å; F144-L227 HydrophobicContact CE1-CD2 4.32Å; F144-L227 HydrophobicContact CE2-CD1 3.78Å; F144-L227 HydrophobicContact CE2-CD2 4.07Å; F144-L227 HydrophobicContact CZ-CD1 4.44Å; F144-L227 HydrophobicContact CZ-CD2 3.92Å; F169-L227 HydrophobicContact CE1-CD1 4.26Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å; V225-L227 HydrophobicContact CG2-CD2 4.31Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.46Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 VanDerWaalsContact CA-O 3.31Å; L227-V236 WeakPolarHBondContact CA-O 3.48Å; L227-V237 HydrophobicContact CD2-CB 4.15Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.74Å
228S98.3Very high96.9Very high11 Ų1129.3 Ų29.38%0.07718%0.183CC..EExtended strand (participates in β ladder)trans-114.5124.1175.7-430000109.4Y133 C135 V236Y133-S228 VanDerWaalsContact CG-CB 3.45Å; C135-S228 WeakPolarHBondContact O-CA 3.48Å; S228-V236 PolarHBondContact N-O 3.15Å; S228-V236 PolarHBondContact O-N 2.94Å
229M97.3Very high96.9Very high0 Ų029.3 Ų29.30%018%0.183CC..EExtended strand (participates in β ladder)trans-134.7137.6-168.6-63.1175.5-64.300110.8S134 C135 V137 I160 C162 V203 L235S134-M229 PolarHBondContact N-O 3.18Å; C135-M229 HydrophobicContact CB-CB 4.41Å; C135-M229 HydrophobicContact CB-CE 4Å; C135-M229 PolarHBondContact N-O 3.46Å; C135-M229 PolarHBondContact O-N 3.15Å; V137-M229 HydrophobicContact CG2-CE 4.02Å; I160-M229 HydrophobicContact CB-SD 4.24Å; I160-M229 HydrophobicContact CG2-CE 4.18Å; I160-M229 HydrophobicContact CG2-SD 3.6Å; I160-M229 VanDerWaalsContact CG2-SD 3.6Å; C162-M229 HydrophobicContact CB-CE 3.99Å; V203-M229 HydrophobicContact CG1-CB 3.8Å; V203-M229 HydrophobicContact CG1-CE 4.18Å; V203-M229 HydrophobicContact CG1-SD 4.42Å; M229-L235 HydrophobicContact CG-CD1 3.47Å; M229-L235 VanDerWaalsContact CG-CD1 3.47Å; M229-L235 HydrophobicContact SD-CD1 4.23Å
230S95.6Very high96.9Very high23 Ų2333.6 Ų33.616%0.16120%0.199CC..  trans-150.9157.4168.5174.80000107.9S134 L205 V233S134-S230 PolarHBondContact OG-OG 3.1Å; L205-S230 WeakPolarHBondContact CD1-O 3.36Å; S230-V233 WeakPolarHBondContact O-CG2 3.37Å
231A91.9Very high96.9Very high51 Ų5130 Ų3042%0.42118%0.175SC..THydrogen-bonded Turntrans-57.5151.4168.600000110.4V233A231-V233 PolarHBondContact O-N 2.82Å
232D87.1Confident96.5Very high164 Ų16431.9 Ų31.988%0.87719%0.194SC*.THydrogen-bonded Turntrans62.68.8172.5-50.4-43.5000117
233V92.7Very high96.2Very high29 Ų2938.1 Ų38.118%0.17623%0.225CC..SBendtrans-131.4153.7177.6-59.50000111.1Q131 Y133 S230 A231Q131-V233 VanDerWaalsContact NE2-CG2 3.27Å; Y133-V233 HydrophobicContact CE1-CG2 4.49Å; S230-V233 WeakPolarHBondContact O-CG2 3.37Å; A231-V233 PolarHBondContact O-N 2.82Å
234P95.7Very high96.1Very high55 Ų5535.6 Ų35.636%0.35721%0.207SC..PPolyproline II helixtrans-58.8144.9174.9-24.835.3000112.5V236 L251P234-V236 PolarHBondContact O-N 2.91Å; P234-L251 CarbonylContact C-O 3.6Å; P234-L251 WeakPolarHBondContact CA-O 3.43Å
235L97.8Very high96.1Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-61.8132.9164.9163.269.9000109I160 F207 L212 L227 M229 V237 Y250 L251I160-L235 HydrophobicContact CD1-CD2 4.37Å; F207-L235 HydrophobicContact CD1-CB 4.23Å; F207-L235 HydrophobicContact CD1-CD2 4.35Å; F207-L235 HydrophobicContact CD2-CD2 4.11Å; F207-L235 HydrophobicContact CE1-CB 3.46Å; F207-L235 VanDerWaalsContact CE1-CB 3.46Å; F207-L235 HydrophobicContact CE1-CD2 4.29Å; F207-L235 HydrophobicContact CE2-CB 4.11Å; F207-L235 HydrophobicContact CE2-CD2 4.03Å; F207-L235 HydrophobicContact CG-CD2 4.27Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.14Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; L212-L235 HydrophobicContact CD2-CD2 3.88Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.46Å; M229-L235 HydrophobicContact CG-CD1 3.47Å; M229-L235 VanDerWaalsContact CG-CD1 3.47Å; M229-L235 HydrophobicContact SD-CD1 4.23Å; L235-V237 HydrophobicContact CD1-CG2 4.34Å; L235-V237 HydrophobicContact CD2-CG2 3.78Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.26Å; L235-Y250 WeakPolarHBondContact O-CA 3.3Å; L235-L251 PolarHBondContact N-O 3.45Å; L235-L251 PolarHBondContact O-N 2.94Å
236V98.4Very high96Very high3 Ų336.6 Ų36.62%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-101.9123.9169-175.20000110.1Y133 L227 S228 P234 K248 Y249 Y250Y133-V236 HydrophobicContact CE1-CG2 3.91Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.05Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 VanDerWaalsContact CA-O 3.31Å; L227-V236 WeakPolarHBondContact CA-O 3.48Å; S228-V236 PolarHBondContact N-O 3.15Å; S228-V236 PolarHBondContact O-N 2.94Å; P234-V236 PolarHBondContact O-N 2.91Å; V236-K248 HydrophobicContact CG1-CB 4.38Å; V236-K248 HydrophobicContact CG1-CD 4.38Å; V236-K248 HydrophobicContact CG1-CG 4.27Å; V236-Y249 CarbonylContact C-O 3.54Å; V236-Y249 VanDerWaalsContact CA-O 3.32Å; V236-Y249 WeakPolarHBondContact CA-O 3.45Å; V236-Y250 HydrophobicContact CG1-CE1 4.33Å; V236-Y250 HydrophobicContact CG2-CD1 3.58Å; V236-Y250 HydrophobicContact CG2-CE1 3.46Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.46Å
237V98.8Very high96Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-111.2109.2172.5-173.30000108.5F144 L212 F215 V225 T226 L227 L235 Y239 K248 Y249F144-V237 HydrophobicContact CE1-CG1 4.11Å; L212-V237 HydrophobicContact CD2-CG2 4.44Å; F215-V237 HydrophobicContact CD2-CB 4.13Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.27Å; V225-V237 HydrophobicContact CG2-CG1 3.57Å; T226-V237 WeakPolarHBondContact O-CA 3.46Å; L227-V237 HydrophobicContact CD2-CB 4.15Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.74Å; L235-V237 HydrophobicContact CD1-CG2 4.34Å; L235-V237 HydrophobicContact CD2-CG2 3.78Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; V237-Y239 HydrophobicContact CG1-CD2 4.36Å; V237-Y239 HydrophobicContact CG1-CE2 3.64Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; V237-Y249 PolarHBondContact N-O 2.83Å; V237-Y249 PolarHBondContact O-N 2.85Å
238E98.8Very high96Very high34 Ų3437.8 Ų37.816%0.15922%0.215CC..EExtended strand (participates in β ladder)trans-108.8129.7-176.5-176.6-179157.500112.2V225 T226 H246 L247 K248V225-E238 WeakPolarHBondContact CA-O 3.44Å; T226-E238 PolarHBondContact N-O 3.35Å; T226-E238 PolarHBondContact O-N 2.68Å; E238-H246 HydrophobicContact CG-CB 4.23Å; E238-L247 WeakPolarHBondContact CA-O 3.08Å; E238-K248 HydrophobicContact CB-CG 4.01Å; E238-K248 HydrophobicContact CG-CG 3.85Å; E238-K248 WeakPolarHBondContact OE2-CE 3.33Å; E238-K248 IonicContact OE2-NZ 2.63Å
239Y98.8Very high96Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-114.7121.2166.2-64.8-94.6000109.2A218 V225 V237 H246 L247 Y249A218-Y239 HydrophobicContact CB-CD1 4.01Å; A218-Y239 HydrophobicContact CB-CD2 3.43Å; A218-Y239 VanDerWaalsContact CB-CD2 3.43Å; A218-Y239 HydrophobicContact CB-CE1 4.21Å; A218-Y239 HydrophobicContact CB-CE2 3.66Å; A218-Y239 HydrophobicContact CB-CG 3.61Å; V225-Y239 HydrophobicContact CB-CD1 4.24Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.26Å; V225-Y239 HydrophobicContact CG2-CD2 4.25Å; V225-Y239 HydrophobicContact CG2-CE1 3.79Å; V225-Y239 HydrophobicContact CG2-CE2 3.78Å; V225-Y239 HydrophobicContact CG2-CG 4.47Å; V237-Y239 HydrophobicContact CG1-CD2 4.36Å; V237-Y239 HydrophobicContact CG1-CE2 3.64Å; Y239-H246 CarbonylContact O-C 3.54Å; Y239-H246 WeakPolarHBondContact O-CA 3.36Å; Y239-L247 PolarHBondContact N-O 2.96Å; Y239-L247 PolarHBondContact O-N 2.91Å; Y239-Y249 HydrophobicContact CD2-CD2 4.38Å; Y239-Y249 HydrophobicContact CD2-CE2 4.07Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.17Å
240K98Very high96Very high120 Ų12038.3 Ų38.352%0.52222%0.215SC..EExtended strand (participates in β ladder)trans-71.4140.3172.3-68.5-171.4177.4-174.30110.4S222S222-K240 WeakPolarHBondContact CB-O 3.31Å; S222-K240 PolarHBondContact OG-O 3.4Å
241I97.5Very high96.1Very high2 Ų237.2 Ų37.21%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-106.289.9175.4-56.4174.4000107I11 V15 L50 L52 L221 D243 M244 G245 L247I11-I241 HydrophobicContact CG2-CG2 3.43Å; I11-I241 VanDerWaalsContact CG2-CG2 3.43Å; V15-I241 HydrophobicContact CG2-CD1 3.8Å; L50-I241 HydrophobicContact CD1-CD1 3.48Å; L50-I241 VanDerWaalsContact CD1-CD1 3.48Å; L52-I241 HydrophobicContact CD2-CB 4.47Å; L52-I241 HydrophobicContact CD2-CD1 3.67Å; L52-I241 HydrophobicContact CD2-CG2 4.14Å; L221-I241 HydrophobicContact CD1-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; I241-D243 PolarHBondContact O-N 3.12Å; I241-M244 HydrophobicContact CB-CG 4.28Å; I241-M244 HydrophobicContact CG2-CG 3.74Å; I241-M244 HydrophobicContact CG2-SD 3.98Å; I241-M244 WeakPolarHBondContact O-CG 3.22Å; I241-M244 PolarHBondContact O-N 2.87Å; I241-G245 PolarHBondContact N-O 3.34Å; I241-G245 PolarHBondContact O-N 3.21Å; I241-G245 VanDerWaalsContact O-N 3.08Å; I241-L247 HydrophobicContact CD1-CB 4.22Å
242A90.5Very high96.3Very high59 Ų5936.9 Ų36.949%0.48820%0.204SC..THydrogen-bonded Turntrans42.6-135-172.200000110.9
243D91.1Very high96.7Very high151 Ų15130.8 Ų30.881%0.80717%0.174SC*.THydrogen-bonded Turntrans-97.49.4172.9-60.3-35.2000112.8R53 I241R53-D243 VanDerWaalsContact NH2-C 3.3Å; R53-D243 PolarHBondContact NH2-O 2.84Å; I241-D243 PolarHBondContact O-N 3.12Å
244M95.1Very high96.8Very high7 Ų734 Ų343%0.03419%0.186CC..THydrogen-bonded Turntrans-95.6-20.6-177.767.9177.5-49.200113.6L6 I11 L52 R53 F57 I241L6-M244 HydrophobicContact CD1-CE 3.69Å; L6-M244 HydrophobicContact CD1-SD 3.96Å; I11-M244 HydrophobicContact CD1-SD 3.9Å; I11-M244 HydrophobicContact CG2-SD 3.9Å; L52-M244 HydrophobicContact CB-CE 4.07Å; L52-M244 HydrophobicContact CD2-CE 3.95Å; L52-M244 HydrophobicContact CD2-CG 4.28Å; L52-M244 HydrophobicContact CD2-SD 4.16Å; L52-M244 HydrophobicContact CG-CE 4.42Å; R53-M244 VanDerWaalsContact CB-O 3.27Å; R53-M244 WeakPolarHBondContact CB-O 3.28Å; R53-M244 WeakPolarHBondContact CG-O 3.4Å; R53-M244 PolarHBondContact N-O 2.84Å; F57-M244 HydrophobicContact CD2-CE 4.33Å; F57-M244 HydrophobicContact CE1-CE 4.2Å; F57-M244 HydrophobicContact CE2-CE 3.9Å; F57-M244 HydrophobicContact CZ-CE 3.84Å; I241-M244 HydrophobicContact CB-CG 4.28Å; I241-M244 HydrophobicContact CG2-CG 3.74Å; I241-M244 HydrophobicContact CG2-SD 3.98Å; I241-M244 WeakPolarHBondContact O-CG 3.22Å; I241-M244 PolarHBondContact O-N 2.87Å
245G97.7Very high96.2Very high4 Ų438.6 Ų38.64%0.04121%0.205CC..EExtended strand (participates in β ladder)trans178.4-164.2-167.700000116.1T51 I241T51-G245 CarbonylContact O-C 3.54Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; I241-G245 PolarHBondContact N-O 3.34Å; I241-G245 PolarHBondContact O-N 3.21Å; I241-G245 VanDerWaalsContact O-N 3.08Å
246H98.3Very high94.8Very high32 Ų3245.6 Ų45.615%0.14824%0.238CC..EExtended strand (participates in β ladder)trans-153.1157.5173.858.5-104000111T51 E238 Y239T51-H246 PolarHBondContact N-O 2.94Å; T51-H246 PolarHBondContact O-N 3.29Å; T51-H246 PolarHBondContact OG1-NE2 3.17Å; E238-H246 HydrophobicContact CG-CB 4.23Å; Y239-H246 CarbonylContact O-C 3.54Å; Y239-H246 WeakPolarHBondContact O-CA 3.36Å
247L98.5Very high92.7Very high0 Ų052.6 Ų52.60%028%0.276CS..EExtended strand (participates in β ladder)trans-118.8117.2167.4179.556.8000108A18 L19 V48 L50 A218 L221 E238 Y239 I241 Y249A18-L247 HydrophobicContact CB-CD2 3.73Å; L19-L247 HydrophobicContact CD2-CD1 3.76Å; L19-L247 HydrophobicContact CD2-CD2 4.38Å; V48-L247 HydrophobicContact CG2-CD1 3.43Å; V48-L247 VanDerWaalsContact CG2-CD1 3.43Å; L50-L247 HydrophobicContact CB-CD1 4.15Å; L50-L247 HydrophobicContact CD1-CD1 4.37Å; A218-L247 HydrophobicContact CB-CD2 4.02Å; L221-L247 HydrophobicContact CD1-CB 4.46Å; L221-L247 HydrophobicContact CD1-CD2 3.78Å; E238-L247 WeakPolarHBondContact CA-O 3.08Å; Y239-L247 PolarHBondContact N-O 2.96Å; Y239-L247 PolarHBondContact O-N 2.91Å; I241-L247 HydrophobicContact CD1-CB 4.22Å; L247-Y249 HydrophobicContact CD2-CE2 3.91Å; L247-Y249 VanDerWaalsContact CD2-OH 3.23Å; L247-Y249 WeakPolarHBondContact CD2-OH 3.39Å; L247-Y249 HydrophobicContact CG-CE2 3.8Å
248K98.4Very high90.1Very high48 Ų4861.7 Ų61.721%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-111.6132.7178.1-73.7175.9179.5-176.30109.8V48 Q49 V236 V237 E238 Y250V48-K248 WeakPolarHBondContact CA-O 3.43Å; Q49-K248 HydrophobicContact CB-CB 4.38Å; Q49-K248 PolarHBondContact N-O 2.84Å; Q49-K248 PolarHBondContact O-N 2.77Å; V236-K248 HydrophobicContact CG1-CB 4.38Å; V236-K248 HydrophobicContact CG1-CD 4.38Å; V236-K248 HydrophobicContact CG1-CG 4.27Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; E238-K248 HydrophobicContact CB-CG 4.01Å; E238-K248 HydrophobicContact CG-CG 3.85Å; E238-K248 WeakPolarHBondContact OE2-CE 3.33Å; E238-K248 IonicContact OE2-NZ 2.63Å; K248-Y250 HydrophobicContact CB-CE2 3.89Å
249Y98.4Very high87.3Confident0 Ų069 Ų690%035%0.352CS..EExtended strand (participates in β ladder)trans-110.9137.2168.4-56.1-87.1000109.1A18 L22 L47 V48 F215 A218 V236 V237 Y239 L247A18-Y249 WeakPolarHBondContact CB-OH 3.33Å; A18-Y249 PolarHBondContact O-OH 2.82Å; L22-Y249 HydrophobicContact CD2-CD1 3.76Å; L22-Y249 HydrophobicContact CD2-CE1 3.85Å; L47-Y249 CarbonylContact O-C 3.55Å; L47-Y249 WeakPolarHBondContact O-CA 3.4Å; V48-Y249 HydrophobicContact CB-CD1 4.07Å; V48-Y249 HydrophobicContact CB-CE1 4.32Å; V48-Y249 HydrophobicContact CG2-CD1 3.69Å; V48-Y249 HydrophobicContact CG2-CE1 3.63Å; F215-Y249 HydrophobicContact CB-CD2 3.77Å; F215-Y249 HydrophobicContact CB-CE2 3.97Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD2 4.08Å; F215-Y249 AromaticContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE2 4.5Å; F215-Y249 AromaticContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD1-CG 3.45Å; F215-Y249 VanDerWaalsContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD2-CD2 4.37Å; F215-Y249 HydrophobicContact CD2-CG 4.01Å; F215-Y249 AromaticContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CE1 4.41Å; F215-Y249 AromaticContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE2-CG 4.35Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CE1 4.47Å; F215-Y249 HydrophobicContact CG-CE2 4.38Å; F215-Y249 AromaticContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.31Å; A218-Y249 HydrophobicContact CB-CE2 3.94Å; V236-Y249 CarbonylContact C-O 3.54Å; V236-Y249 VanDerWaalsContact CA-O 3.32Å; V236-Y249 WeakPolarHBondContact CA-O 3.45Å; V237-Y249 PolarHBondContact N-O 2.83Å; V237-Y249 PolarHBondContact O-N 2.85Å; Y239-Y249 HydrophobicContact CD2-CD2 4.38Å; Y239-Y249 HydrophobicContact CD2-CE2 4.07Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.17Å; L247-Y249 HydrophobicContact CD2-CE2 3.91Å; L247-Y249 VanDerWaalsContact CD2-OH 3.23Å; L247-Y249 WeakPolarHBondContact CD2-OH 3.39Å; L247-Y249 HydrophobicContact CG-CE2 3.8Å
250Y97.6Very high84.2Confident22 Ų2272.6 Ų72.69%0.08639%0.39CS..EExtended strand (participates in β ladder)trans-110.2134.6172.1-56-103.7000107.5S46 L47 Q49 I128 L235 V236 K248S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.35Å; S46-Y250 PolarHBondContact OG-O 2.84Å; L47-Y250 HydrophobicContact CB-CD2 4.07Å; L47-Y250 HydrophobicContact CB-CG 4.34Å; L47-Y250 HydrophobicContact CD2-CD2 3.93Å; L47-Y250 HydrophobicContact CD2-CE2 4.37Å; L47-Y250 HydrophobicContact CD2-CG 4.4Å; L47-Y250 HydrophobicContact CG-CD2 4.28Å; L47-Y250 PolarHBondContact N-O 3.41Å; L47-Y250 VanDerWaalsContact N-O 3.08Å; L47-Y250 PolarHBondContact O-N 3.27Å; Q49-Y250 HydrophobicContact CB-CE2 4.11Å; Q49-Y250 PolarHBondContact OE1-OH 2.81Å; I128-Y250 HydrophobicContact CD1-CE2 3.83Å; I128-Y250 HydrophobicContact CG2-CE1 3.86Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.26Å; L235-Y250 WeakPolarHBondContact O-CA 3.3Å; V236-Y250 HydrophobicContact CG1-CE1 4.33Å; V236-Y250 HydrophobicContact CG2-CD1 3.58Å; V236-Y250 HydrophobicContact CG2-CE1 3.46Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.46Å; K248-Y250 HydrophobicContact CB-CE2 3.89Å
251L97.8Very high81.2Confident1 Ų176.2 Ų76.21%0.00543%0.43CS..EExtended strand (participates in β ladder)trans-134120.5179.3-177.860.9000110.5V45 F207 Y211 L212 F215 P234 L235V45-L251 HydrophobicContact CG1-CD1 3.89Å; F207-L251 HydrophobicContact CB-CD2 3.92Å; F207-L251 HydrophobicContact CD1-CD2 3.97Å; F207-L251 HydrophobicContact CD1-CG 3.99Å; F207-L251 HydrophobicContact CG-CD2 4.24Å; Y211-L251 HydrophobicContact CD1-CD1 4.34Å; Y211-L251 HydrophobicContact CD2-CD1 3.91Å; Y211-L251 HydrophobicContact CG-CD1 3.72Å; L212-L251 HydrophobicContact CD2-CD2 3.64Å; L212-L251 HydrophobicContact CG-CD2 4.04Å; F215-L251 HydrophobicContact CE2-CB 3.76Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.37Å; F215-L251 HydrophobicContact CZ-CB 3.96Å; F215-L251 HydrophobicContact CZ-CD1 4.31Å; F215-L251 HydrophobicContact CZ-CD2 4.35Å; F215-L251 HydrophobicContact CZ-CG 4.45Å; P234-L251 CarbonylContact C-O 3.6Å; P234-L251 WeakPolarHBondContact CA-O 3.43Å; L235-L251 PolarHBondContact N-O 3.45Å; L235-L251 PolarHBondContact O-N 2.94Å
252A96Very high80.3Confident43 Ų4380 Ų8036%0.35545%0.451SS..PPolyproline II helixtrans-62.2135.9173.700000110.3V45V45-A252 PolarHBondContact O-N 2.97Å
253P95.9Very high79.8Confident36 Ų3681.1 Ų81.123%0.23445%0.449CS..PPolyproline II helixtrans-66.4151.2172.229.4-33.8000110.5L205 T206 F207 I255L205-P253 HydrophobicContact CB-CB 4.47Å; L205-P253 HydrophobicContact CD2-CB 4.2Å; T206-P253 CarbonylContact O-C 3.59Å; T206-P253 WeakPolarHBondContact O-CA 3.49Å; F207-P253 HydrophobicContact CD1-CB 4.37Å; F207-P253 HydrophobicContact CE1-CB 3.8Å; F207-P253 HydrophobicContact CZ-CB 4.31Å; P253-I255 PolarHBondContact O-N 2.75Å
254K93.3Very high79.2Confident98 Ų9877.2 Ų77.243%0.42643%0.429SS..BIsolated β-bridgetrans-71.6120.4161.9-69.9-169.5172.8-172.20107.5A157 T206A157-K254 HydrophobicContact CB-CD 4.2Å; T206-K254 HydrophobicContact CG2-CB 4.08Å; T206-K254 HydrophobicContact CG2-CD 4.32Å; T206-K254 PolarHBondContact O-N 2.84Å
255I83.3Confident78.2Confident150 Ų15081.3 Ų81.377%0.76945%0.453SS*.PPolyproline II helixtrans-77.6123.7168.2-55.9171.7000105.6P253 D257P253-I255 PolarHBondContact O-N 2.75Å; I255-D257 PolarHBondContact O-N 3.08Å
256E69.5Low77Confident147 Ų14786.1 Ų86.169%0.68748%0.478SS*.PPolyproline II helixtrans-66.7119.6165.5-72179.8179.900106E258E256-E258 PolarHBondContact O-N 3.41Å
257D53.9Low75.6Confident151 Ų15189.7 Ų89.781%0.80750%0.5SS*.  trans-54.6113.1166.9-72.9-37000105.3I255 E259I255-D257 PolarHBondContact O-N 3.08Å; D257-E259 PolarHBondContact O-N 3.15Å
258E44.7Very low74Confident191 Ų19196.1 Ų96.189%0.89354%0.536SS*.  trans-55.2100.6169.1-75.4-172.7159.800105.5E256 G260E256-E258 PolarHBondContact O-N 3.41Å; E258-G260 PolarHBondContact O-N 3.11Å
259E38.6Very low72.1Confident186 Ų18699.8 Ų99.887%0.86956%0.561SS**  trans-55.1111.4173.4-81.2-168.5157.100105.6D257 S261D257-E259 PolarHBondContact O-N 3.15Å; E259-S261 PolarHBondContact O-N 2.84Å; E259-S261 VanDerWaalsContact O-N 3.1Å
260G34.7Very low69.9Low77 Ų77108.2 Ų108.279%0.79461%0.608SS**  trans-45.3120.7-173.400000110.3E258E258-G260 PolarHBondContact O-N 3.11Å
261S33.6Very low67.4Low196 Ų196116 Ų116100%1.37166%0.655SS**  trans-66.3016915.70000111.4E259E259-S261 PolarHBondContact O-N 2.84Å; E259-S261 VanDerWaalsContact O-N 3.1Å

Retrieved 261 of 261 residues in 211.6 ms (Link to these results)