A0A096N4L8_PAPAN Loading...

Nucleic acid binding protein 2

Component of the SOSS complex, a multiprotein complex that functions downstream of the MRN complex to promote DNA repair and G2/M checkpoint. In the SOSS complex, acts as a sensor of single-stranded DNA that binds to single-stranded DNA, in particular to polypyrimidines. The SOSS complex associates with DNA lesions and influences diverse endpoints in the cellular DNA damage response including cell-cycle checkpoint activation, recombinational repair and maintenance of genomic stability. Required for efficient homologous recombination-dependent repair of double-strand breaks (DSBs) and ATM-dependent signaling pathways.

AlphaFold DB , UniProt , Accession A0A096N4L8, Species PAPAN (Papio anubis, Olive baboon), Gene NABP2, Length 211 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
1M47.8Very low85.8Confident241 Ų24186.7 Ų86.7100%1.18744%0.442SS*.  0115.20-68.2177.2-173.100107.1T3M1-T3 PolarHBondContact O-N 2.85Å
2T57.6Low86.7Confident107 Ų10783 Ų8366%0.65643%0.428SS*.PPolyproline II helixtrans-71.4117.6171.642.30000107.8E4T2-E4 PolarHBondContact O-N 2.8Å
3T73.1Confident87.4Confident117 Ų11780.8 Ų80.872%0.71844%0.438SS*.PPolyproline II helixtrans-67116.817443.60000108.9M1M1-T3 PolarHBondContact O-N 2.85Å
4E84.9Confident88.1Confident93 Ų9380.1 Ų80.144%0.43543%0.434SS..PPolyproline II helixtrans-70.1128.6173-72.718016800109.3T2 I20 R69T2-E4 PolarHBondContact O-N 2.8Å; E4-I20 WeakPolarHBondContact OE1-CD1 3.18Å; E4-R69 IonicContact OE1-CZ 2.71Å; E4-R69 IonicContact OE1-NH1 2.69Å; E4-R69 PolarHBondContact OE1-NH1 2.9Å; E4-R69 IonicContact OE1-NH2 2.82Å
5T95.8Very high88.7Confident34 Ų3485.2 Ų85.221%0.20945%0.45CS..PPolyproline II helixtrans-90.2136.1178.5-51.90000108.9D9 L17 N18 L19T5-D9 HydrophobicContact CG2-CB 4.06Å; T5-L17 HydrophobicContact CG2-CD2 4.2Å; T5-N18 PolarHBondContact N-O 2.73Å; T5-L19 VanDerWaalsContact O-CB 3.29Å; T5-L19 WeakPolarHBondContact O-CB 3.41Å
6F97.9Very high89.1Confident73 Ų7387.3 Ų87.332%0.3246%0.461SS..PPolyproline II helixtrans-88.5157.1173.5-63.2-70.2000111.4K8 D9 D45 K46 T47F6-K8 HydrophobicContact CB-CG 4.12Å; F6-K8 PolarHBondContact O-N 3.5Å; F6-D9 PolarHBondContact O-N 3.3Å; F6-D45 VanDerWaalsContact CA-OD2 3.28Å; F6-D45 WeakPolarHBondContact CA-OD2 3.47Å; F6-D45 WeakPolarHBondContact CB-OD2 3.48Å; F6-D45 WeakPolarHBondContact CD1-OD2 3.3Å; F6-K46 VanDerWaalsContact CE1-CE 3.44Å; F6-T47 HydrophobicContact CB-CG2 3.75Å; F6-T47 HydrophobicContact CD1-CG2 4.01Å; F6-T47 HydrophobicContact CG-CG2 3.9Å
7V98.4Very high89.6Confident0 Ų082.6 Ų82.60%044%0.437CS..G310 helixtrans-54-41.61791710000111.4D9 I10 D45 T47 I50 F108V7-D9 PolarHBondContact O-N 2.8Å; V7-D9 VanDerWaalsContact O-N 3.16Å; V7-I10 WeakPolarHBondContact O-CB 3.2Å; V7-I10 WeakPolarHBondContact O-CG1 3.47Å; V7-I10 PolarHBondContact O-N 3.41Å; V7-I10 VanDerWaalsContact O-N 3.15Å; V7-D45 HydrophobicContact CG2-CB 4.12Å; V7-D45 VanDerWaalsContact CG2-CG 3.45Å; V7-D45 WeakPolarHBondContact CG2-OD2 3.28Å; V7-D45 PolarHBondContact N-OD2 2.84Å; V7-T47 PolarHBondContact N-OG1 3.47Å; V7-I50 HydrophobicContact CG1-CB 3.83Å; V7-I50 HydrophobicContact CG1-CG2 3.85Å; V7-I50 HydrophobicContact CG2-CG2 4.1Å; V7-F108 HydrophobicContact CG1-CD2 3.55Å; V7-F108 HydrophobicContact CG1-CE2 3.99Å; V7-F108 HydrophobicContact CG1-CG 4.43Å
8K97.9Very high90.1Very high105 Ų10580.3 Ų80.346%0.45742%0.424SS..G310 helixtrans-61.5-23.5179.167.2169.5-174.21720115.7F6 I10 T47 F108F6-K8 HydrophobicContact CB-CG 4.12Å; F6-K8 PolarHBondContact O-N 3.5Å; K8-I10 VanDerWaalsContact C-N 3.31Å; K8-T47 HydrophobicContact CD-CG2 3.94Å; K8-T47 HydrophobicContact CG-CG2 4.01Å; K8-T47 PolarHBondContact N-OG1 3.06Å; K8-F108 HydrophobicContact CB-CE1 4.4Å; K8-F108 HydrophobicContact CB-CE2 4Å; K8-F108 HydrophobicContact CB-CZ 3.55Å
9D97.3Very high90.4Very high76 Ų7676.1 Ų76.141%0.40640%0.402SS..G310 helixtrans-88.1-6.9-176-56-42.9000111.2T5 F6 V7T5-D9 HydrophobicContact CG2-CB 4.06Å; F6-D9 PolarHBondContact O-N 3.3Å; V7-D9 PolarHBondContact O-N 2.8Å; V7-D9 VanDerWaalsContact O-N 3.16Å
10I97.5Very high90.8Very high1 Ų173.9 Ų73.91%0.00539%0.39CS..  trans-74.1131.2-179-57.6176.2000110.3V7 K8 L17 L19 I50 A75 L82 L84V7-I10 WeakPolarHBondContact O-CB 3.2Å; V7-I10 WeakPolarHBondContact O-CG1 3.47Å; V7-I10 PolarHBondContact O-N 3.41Å; V7-I10 VanDerWaalsContact O-N 3.15Å; K8-I10 VanDerWaalsContact C-N 3.31Å; I10-L17 HydrophobicContact CG1-CD1 4.49Å; I10-L17 HydrophobicContact CG2-CD1 4.21Å; I10-L19 HydrophobicContact CD1-CD1 4.21Å; I10-I50 HydrophobicContact CB-CD1 4.29Å; I10-I50 HydrophobicContact CD1-CD1 3.92Å; I10-I50 HydrophobicContact CG2-CD1 3.96Å; I10-A75 HydrophobicContact CG2-CB 3.36Å; I10-L82 HydrophobicContact CG2-CD2 4.2Å; I10-L84 HydrophobicContact CD1-CD1 4.49Å
11K96Very high91.2Very high107 Ų10770.5 Ų70.547%0.46537%0.372SS..  trans-131.6155.7174.6-58.1-63.6171.6-163.10110.1G13 L14K11-G13 PolarHBondContact O-N 2.71Å; K11-L14 HydrophobicContact CB-CD1 4.07Å; K11-L14 HydrophobicContact CB-CG 4.15Å; K11-L14 WeakPolarHBondContact O-CG 3.49Å; K11-L14 PolarHBondContact O-N 2.81Å
12P96.3Very high93.6Very high42 Ų4259.3 Ų59.327%0.27332%0.317SS..THydrogen-bonded Turntrans-52.2137.7173.8-2228.6000112.2L14 V77 L82 Y115P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 2.98Å; P12-V77 HydrophobicContact CB-CG2 3.96Å; P12-V77 HydrophobicContact CG-CG2 3.74Å; P12-L82 HydrophobicContact CB-CD1 4.36Å; P12-L82 HydrophobicContact CG-CD1 3.94Å; P12-Y115 HydrophobicContact CG-CD1 3.67Å; P12-Y115 HydrophobicContact CG-CE1 3.3Å
13G95.7Very high95.6Very high55 Ų5554.3 Ų54.357%0.56729%0.287SS*.THydrogen-bonded Turntrans85.7-9.6175.900000115.2K11 A75K11-G13 PolarHBondContact O-N 2.71Å; G13-A75 PolarHBondContact N-O 3.12Å
14L97.1Very high96.8Very high71 Ų7150 Ų5037%0.37226%0.259SS..  trans-65.8141.8174.2-63.3-173.1000111.3K11 P12 L17 Y74 A75K11-L14 HydrophobicContact CB-CD1 4.07Å; K11-L14 HydrophobicContact CB-CG 4.15Å; K11-L14 WeakPolarHBondContact O-CG 3.49Å; K11-L14 PolarHBondContact O-N 2.81Å; P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 2.98Å; L14-L17 HydrophobicContact CB-CD1 4.32Å; L14-L17 HydrophobicContact CB-CD2 3.95Å; L14-L17 HydrophobicContact CB-CG 4.36Å; L14-L17 HydrophobicContact CD1-CD2 4.36Å; L14-Y74 CarbonylContact O-C 3.46Å; L14-Y74 VanDerWaalsContact O-CA 3.23Å; L14-Y74 WeakPolarHBondContact O-CA 3.45Å; L14-Y74 WeakPolarHBondContact O-CB 3.36Å; L14-A75 PolarHBondContact O-N 2.91Å
15K96.9Very high97.4Very high156 Ų15650.7 Ų50.768%0.67826%0.262SS*.EExtended strand (participates in β ladder)trans-132.3170.6-178.1-61.4179.2-175.41760109.9L17 G73K15-L17 PolarHBondContact O-N 2.72Å; K15-G73 CarbonylContact C-O 3.5Å
16N96.1Very high97.5Very high118 Ų11851.2 Ų51.263%0.63127%0.265SS*.EExtended strand (participates in β ladder)trans57.231.6-177.8-57.3-50.9000112.6N18 G73N16-N18 PolarHBondContact O-ND2 2.82Å; N16-G73 PolarHBondContact N-O 3Å
17L97.4Very high97.5Very high8 Ų849.1 Ų49.14%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-70.8129.8179.5-62.1175.5000109.4T5 I10 L14 K15 L19 K72 G73 A75 L84T5-L17 HydrophobicContact CG2-CD2 4.2Å; I10-L17 HydrophobicContact CG1-CD1 4.49Å; I10-L17 HydrophobicContact CG2-CD1 4.21Å; L14-L17 HydrophobicContact CB-CD1 4.32Å; L14-L17 HydrophobicContact CB-CD2 3.95Å; L14-L17 HydrophobicContact CB-CG 4.36Å; L14-L17 HydrophobicContact CD1-CD2 4.36Å; K15-L17 PolarHBondContact O-N 2.72Å; L17-L19 HydrophobicContact CB-CD2 3.85Å; L17-K72 PolarHBondContact O-N 3.38Å; L17-K72 VanDerWaalsContact O-N 3.16Å; L17-G73 PolarHBondContact N-O 2.91Å; L17-G73 PolarHBondContact O-N 3.33Å; L17-A75 HydrophobicContact CD1-CB 4.01Å; L17-L84 HydrophobicContact CD1-CD1 3.76Å
18N97.6Very high97.4Very high41 Ų4160.2 Ų60.222%0.21931%0.306CS..EExtended strand (participates in β ladder)trans-121.9118.1172.4-55.2-67.3000107.6T5 N16 L70 T71 K72T5-N18 PolarHBondContact N-O 2.73Å; N16-N18 PolarHBondContact O-ND2 2.82Å; N18-L70 WeakPolarHBondContact CA-O 3.32Å; N18-T71 WeakPolarHBondContact OD1-CA 3.35Å; N18-K72 PolarHBondContact OD1-N 2.94Å; N18-K72 VanDerWaalsContact OD1-N 3.15Å
19L97.3Very high97.3Very high1 Ų158 Ų581%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-146.4154.8-175.655.9153.5000111.4T5 I10 L17 F21 R69 L70 L84T5-L19 VanDerWaalsContact O-CB 3.29Å; T5-L19 WeakPolarHBondContact O-CB 3.41Å; I10-L19 HydrophobicContact CD1-CD1 4.21Å; L17-L19 HydrophobicContact CB-CD2 3.85Å; L19-F21 HydrophobicContact CD1-CD1 3.49Å; L19-F21 VanDerWaalsContact CD1-CD1 3.49Å; L19-F21 HydrophobicContact CD1-CE1 3.93Å; L19-F21 HydrophobicContact CG-CD1 3.91Å; L19-F21 HydrophobicContact CG-CE1 4.15Å; L19-R69 WeakPolarHBondContact O-CA 3.38Å; L19-L70 HydrophobicContact CD2-CB 4.19Å; L19-L70 HydrophobicContact CD2-CD2 3.77Å; L19-L70 HydrophobicContact CD2-CG 4.19Å; L19-L70 HydrophobicContact CG-CB 4.22Å; L19-L70 HydrophobicContact CG-CD2 4.41Å; L19-L70 PolarHBondContact N-O 2.86Å; L19-L70 VanDerWaalsContact N-O 3.12Å; L19-L70 PolarHBondContact O-N 3.04Å; L19-L84 HydrophobicContact CD1-CD2 3.65Å; L19-L84 HydrophobicContact CD2-CD1 4.43Å; L19-L84 HydrophobicContact CD2-CD2 4.22Å; L19-L84 HydrophobicContact CG-CD2 4.42Å
20I98.3Very high97.3Very high32 Ų3258.3 Ų58.316%0.16431%0.306CS..EExtended strand (participates in β ladder)trans-113.9134.2169-61.8174.8000106.9E4 I67 I68 R69 I95 M100E4-I20 WeakPolarHBondContact OE1-CD1 3.18Å; I20-I67 HydrophobicContact CG2-CG2 3.68Å; I20-I68 WeakPolarHBondContact CA-O 3.25Å; I20-R69 HydrophobicContact CG1-CB 4.29Å; I20-R69 HydrophobicContact CG1-CG 4.26Å; I20-I95 HydrophobicContact CD1-CD1 3.89Å; I20-I95 HydrophobicContact CG1-CD1 4.18Å; I20-I95 HydrophobicContact CG2-CD1 3.93Å; I20-M100 HydrophobicContact CG2-CE 4.12Å; I20-M100 HydrophobicContact CG2-SD 3.94Å; I20-M100 WeakPolarHBondContact O-CE 3.21Å
21F98.6Very high97.2Very high2 Ų265.3 Ų65.31%0.00934%0.337CS..EExtended strand (participates in β ladder)trans-145.3160.6178.152.3-100.3000110.7L19 V23 V43 A44 I52 I67 I68 L70 L84 L92L19-F21 HydrophobicContact CD1-CD1 3.49Å; L19-F21 VanDerWaalsContact CD1-CD1 3.49Å; L19-F21 HydrophobicContact CD1-CE1 3.93Å; L19-F21 HydrophobicContact CG-CD1 3.91Å; L19-F21 HydrophobicContact CG-CE1 4.15Å; F21-V23 HydrophobicContact CE2-CG2 4.42Å; F21-V43 HydrophobicContact CB-CB 4.17Å; F21-V43 HydrophobicContact CB-CG2 4.34Å; F21-V43 HydrophobicContact CD1-CG2 4.39Å; F21-V43 HydrophobicContact CD2-CB 3.43Å; F21-V43 VanDerWaalsContact CD2-CB 3.43Å; F21-V43 HydrophobicContact CD2-CG1 3.55Å; F21-V43 HydrophobicContact CD2-CG2 3.87Å; F21-V43 HydrophobicContact CE2-CB 3.95Å; F21-V43 HydrophobicContact CE2-CG1 3.58Å; F21-V43 HydrophobicContact CE2-CG2 4.21Å; F21-V43 HydrophobicContact CG-CB 3.89Å; F21-V43 HydrophobicContact CG-CG1 4.44Å; F21-V43 HydrophobicContact CG-CG2 3.94Å; F21-V43 HydrophobicContact CZ-CG1 4.49Å; F21-A44 CarbonylContact C-O 3.6Å; F21-A44 WeakPolarHBondContact CA-O 3.47Å; F21-A44 WeakPolarHBondContact CB-O 3.34Å; F21-I52 HydrophobicContact CE1-CD1 4.41Å; F21-I52 HydrophobicContact CZ-CD1 3.84Å; F21-I67 WeakPolarHBondContact O-CA 3.47Å; F21-I68 HydrophobicContact CD2-CB 4.28Å; F21-I68 HydrophobicContact CE2-CB 3.72Å; F21-I68 HydrophobicContact CE2-CD1 4.41Å; F21-I68 HydrophobicContact CE2-CG2 4.12Å; F21-I68 HydrophobicContact CZ-CB 4.1Å; F21-I68 HydrophobicContact CZ-CG2 4.01Å; F21-I68 PolarHBondContact N-O 3.3Å; F21-I68 PolarHBondContact O-N 2.69Å; F21-L70 HydrophobicContact CE1-CB 3.78Å; F21-L70 HydrophobicContact CZ-CB 4.4Å; F21-L84 HydrophobicContact CE1-CD2 4.3Å; F21-L92 HydrophobicContact CZ-CD2 4.08Å
22I98.7Very high97.1Very high6 Ų662.3 Ų62.33%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-99.8141.1167.5-170.8168.1000110L24 V43 A44 D66 I67 M100 Y102I22-L24 HydrophobicContact CG2-CD2 4Å; I22-V43 CarbonylContact O-C 3.6Å; I22-V43 VanDerWaalsContact O-CA 3.26Å; I22-V43 WeakPolarHBondContact O-CA 3.5Å; I22-A44 WeakPolarHBondContact CG2-O 3.2Å; I22-A44 PolarHBondContact N-O 3.23Å; I22-A44 PolarHBondContact O-N 3.06Å; I22-D66 CarbonylContact C-O 3.04Å; I22-D66 VanDerWaalsContact CA-O 3.31Å; I22-D66 WeakPolarHBondContact CA-O 3.35Å; I22-I67 HydrophobicContact CG1-CG1 4.44Å; I22-M100 HydrophobicContact CB-CB 4.17Å; I22-M100 HydrophobicContact CB-CG 4.43Å; I22-M100 HydrophobicContact CB-SD 4.19Å; I22-M100 HydrophobicContact CD1-CB 4.29Å; I22-Y102 HydrophobicContact CD1-CD1 4.42Å; I22-Y102 HydrophobicContact CG2-CD1 3.57Å; I22-Y102 HydrophobicContact CG2-CE1 4.36Å; I22-Y102 HydrophobicContact CG2-CG 3.75Å
23V98.8Very high97.1Very high3 Ų370.9 Ų70.92%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-81.4125.6175-177.10000109.3F21 T26 C41 V43 I62 Q63 G65 D66 I68F21-V23 HydrophobicContact CE2-CG2 4.42Å; V23-T26 HydrophobicContact CG1-CG2 4.18Å; V23-C41 HydrophobicContact CG1-CB 4.45Å; V23-V43 HydrophobicContact CB-CG1 4.49Å; V23-V43 HydrophobicContact CG2-CG1 4.08Å; V23-I62 HydrophobicContact CB-CG2 4.39Å; V23-I62 HydrophobicContact CG1-CG2 3.95Å; V23-I62 HydrophobicContact CG2-CG2 3.78Å; V23-Q63 WeakPolarHBondContact CB-O 3.42Å; V23-G65 PolarHBondContact O-N 3.17Å; V23-D66 HydrophobicContact CB-CB 4.5Å; V23-D66 HydrophobicContact CG2-CB 4.13Å; V23-D66 PolarHBondContact N-O 3.46Å; V23-I68 HydrophobicContact CG2-CD1 3.72Å; V23-I68 HydrophobicContact CG2-CG1 4.36Å
24L98.4Very high97Very high26 Ų2673.9 Ų73.914%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-96-48.2178.4-55.2-174000111.1I22 K42 A44 Y102 E104I22-L24 HydrophobicContact CG2-CD2 4Å; L24-K42 HydrophobicContact CB-CG 4.38Å; L24-K42 HydrophobicContact CD1-CD 4.41Å; L24-K42 HydrophobicContact CD1-CG 4.3Å; L24-K42 PolarHBondContact N-O 3.4Å; L24-A44 HydrophobicContact CD1-CB 3.6Å; L24-A44 HydrophobicContact CD2-CB 4.31Å; L24-A44 HydrophobicContact CG-CB 4.02Å; L24-Y102 HydrophobicContact CD1-CD2 4.19Å; L24-Y102 HydrophobicContact CD1-CE2 4.11Å; L24-Y102 HydrophobicContact CD2-CD1 4.21Å; L24-Y102 HydrophobicContact CD2-CD2 3.68Å; L24-Y102 HydrophobicContact CD2-CE1 3.98Å; L24-Y102 HydrophobicContact CD2-CE2 3.42Å; L24-Y102 VanDerWaalsContact CD2-CE2 3.42Å; L24-Y102 HydrophobicContact CD2-CG 4.07Å; L24-Y102 HydrophobicContact CG-CE2 4.43Å; L24-E104 HydrophobicContact CD1-CG 3.79Å
25E98.3Very high97Very high108 Ų10872.8 Ų72.851%0.50537%0.369SS..EExtended strand (participates in β ladder)trans-141.3141.3-175.4-61.4170.3-142.100110.7C41 K42E25-C41 CarbonylContact O-C 3.56Å; E25-C41 WeakPolarHBondContact O-CA 3.41Å; E25-C41 WeakPolarHBondContact O-CB 3.34Å; E25-K42 HydrophobicContact CB-CB 4.09Å; E25-K42 PolarHBondContact N-O 3.04Å; E25-K42 PolarHBondContact O-N 2.58Å; E25-K42 IonicContact OE1-NZ 2.9Å; E25-K42 PolarHBondContact OE1-NZ 2.86Å
26T97.9Very high97Very high44 Ų4469 Ų6927%0.2735%0.354SS..EExtended strand (participates in β ladder)trans-107.1117.5172.157.80000109.9V23 I62 P64V23-T26 HydrophobicContact CG1-CG2 4.18Å; T26-I62 HydrophobicContact CG2-CG2 4.24Å; T26-P64 HydrophobicContact CG2-CG 4.19Å
27G96.4Very high97Very high29 Ų2965.9 Ų65.930%0.29934%0.335SS..EExtended strand (participates in β ladder)trans-72.7175.5177.900000113.7R39 T40G27-R39 PolarHBondContact O-NE 2.83Å; G27-R39 PolarHBondContact O-NH2 3.36Å; G27-R39 VanDerWaalsContact O-NH2 3.08Å; G27-T40 WeakPolarHBondContact CA-O 3.35Å; G27-T40 PolarHBondContact N-O 2.8Å
28R96.6Very high97Very high234 Ų23466.2 Ų66.288%0.88334%0.338SS*.EExtended strand (participates in β ladder)trans-65.3144175.2-62.4-174.4-173.8-1431.3110.4
29V96.8Very high97Very high58 Ų5865.8 Ų65.835%0.35233%0.333SS..EExtended strand (participates in β ladder)trans-74.6134.1170.7-1780000108.8E37 R39V29-E37 HydrophobicContact CG1-CB 3.78Å; V29-E37 HydrophobicContact CG1-CG 3.87Å; V29-R39 HydrophobicContact CG2-CB 4.36Å
30T96.1Very high97Very high83 Ų8368.5 Ų68.551%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-120.7145173.759.30000108.7E37 V38T30-E37 CarbonylContact O-C 3.57Å; T30-E37 WeakPolarHBondContact O-CA 3.44Å; T30-V38 PolarHBondContact N-O 3.47Å; T30-V38 PolarHBondContact O-N 3.03Å; T30-V38 PolarHBondContact OG1-O 3.02Å
31K96.3Very high97Very high148 Ų14867 Ų6764%0.64334%0.342SS*.EExtended strand (participates in β ladder)trans-101.8131.5174.5-75.8-171.4175.5-169.30110.5H36 E37K31-H36 WeakPolarHBondContact CA-O 3.42Å; K31-E37 HydrophobicContact CD-CG 4.45Å; K31-E37 WeakPolarHBondContact CE-OE1 3.21Å; K31-E37 HydrophobicContact CG-CG 3.95Å; K31-E37 IonicContact NZ-OE1 3.74Å; K31-E37 PolarHBondContact NZ-OE1 3.21Å
32T94.9Very high97Very high43 Ų4368.6 Ų68.626%0.26435%0.349SS..  trans-77.5168170.958.10000110.3D34 G35 H36 V38 W55T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 2.87Å; T32-D34 PolarHBondContact OG1-OD1 2.89Å; T32-G35 PolarHBondContact O-N 2.88Å; T32-H36 PolarHBondContact N-O 2.83Å; T32-H36 WeakPolarHBondContact OG1-CB 3.31Å; T32-H36 PolarHBondContact OG1-N 3.23Å; T32-H36 VanDerWaalsContact OG1-N 3.15Å; T32-H36 PolarHBondContact OG1-O 2.89Å; T32-H36 VanDerWaalsContact OG1-O 3.09Å; T32-V38 HydrophobicContact CG2-CG2 3.92Å; T32-W55 HydrophobicContact CG2-CH2 3.85Å; T32-W55 HydrophobicContact CG2-CZ3 3.82Å
33K95.4Very high97Very high222 Ų22268.3 Ų68.397%0.96535%0.348SS*.THydrogen-bonded Turntrans-64.8-27.9-175.6-65.6-177.7179.2179.80113.3G35K33-G35 VanDerWaalsContact C-N 3.31Å
34D94.5Very high97Very high119 Ų11968.2 Ų68.264%0.63635%0.347SS*.THydrogen-bonded Turntrans-85.40176.251.3-16.1000113.2T32 H36T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 2.87Å; T32-D34 PolarHBondContact OG1-OD1 2.89Å; D34-H36 IonicContact OD2-CD2 3.78Å; D34-H36 PolarHBondContact OD2-CD2 2.88Å
35G95.3Very high97Very high47 Ų4767.1 Ų67.149%0.48534%0.341SS..SBendtrans93.6-1171.300000115.5T32 K33T32-G35 PolarHBondContact O-N 2.88Å; K33-G35 VanDerWaalsContact C-N 3.31Å
36H96.8Very high97Very high78 Ų7868.5 Ų68.536%0.36135%0.346SS..  trans-70.3143.7174.8-71.6-79000111.9K31 T32 D34 W55 D56K31-H36 WeakPolarHBondContact CA-O 3.42Å; T32-H36 PolarHBondContact N-O 2.83Å; T32-H36 WeakPolarHBondContact OG1-CB 3.31Å; T32-H36 PolarHBondContact OG1-N 3.23Å; T32-H36 VanDerWaalsContact OG1-N 3.15Å; T32-H36 PolarHBondContact OG1-O 2.89Å; T32-H36 VanDerWaalsContact OG1-O 3.09Å; D34-H36 IonicContact OD2-CD2 3.78Å; D34-H36 PolarHBondContact OD2-CD2 2.88Å; H36-W55 HydrophobicContact CB-CE3 3.73Å; H36-W55 HydrophobicContact CB-CZ3 3.71Å; H36-D56 IonicContact CE1-OD1 2.86Å; H36-D56 IonicContact CE1-OD2 3.27Å; H36-D56 IonicContact CG-OD1 3.93Å; H36-D56 IonicContact ND1-OD1 3.58Å; H36-D56 PolarHBondContact ND1-OD1 3.02Å; H36-D56 IonicContact ND1-OD2 3.45Å; H36-D56 PolarHBondContact ND1-OD2 3.1Å
37E97.2Very high97Very high51 Ų5167.6 Ų67.624%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-91.3134175.1-73.3-174.4172.500109.8V29 T30 K31 W55 D56 N60V29-E37 HydrophobicContact CG1-CB 3.78Å; V29-E37 HydrophobicContact CG1-CG 3.87Å; T30-E37 CarbonylContact O-C 3.57Å; T30-E37 WeakPolarHBondContact O-CA 3.44Å; K31-E37 HydrophobicContact CD-CG 4.45Å; K31-E37 WeakPolarHBondContact CE-OE1 3.21Å; K31-E37 HydrophobicContact CG-CG 3.95Å; K31-E37 IonicContact NZ-OE1 3.74Å; K31-E37 PolarHBondContact NZ-OE1 3.21Å; E37-W55 CarbonylContact O-C 3.55Å; E37-W55 VanDerWaalsContact O-CA 3.31Å; E37-W55 WeakPolarHBondContact O-CA 3.15Å; E37-D56 PolarHBondContact N-OD1 2.89Å; E37-D56 PolarHBondContact O-N 3.19Å; E37-N60 PolarHBondContact OE2-ND2 2.84Å
38V97.1Very high97.1Very high16 Ų1666.2 Ų66.210%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-132.4134.1177-179.90000109.3T30 T32 V54 W55T30-V38 PolarHBondContact N-O 3.47Å; T30-V38 PolarHBondContact O-N 3.03Å; T30-V38 PolarHBondContact OG1-O 3.02Å; T32-V38 HydrophobicContact CG2-CG2 3.92Å; V38-V54 WeakPolarHBondContact CA-O 3.15Å; V38-W55 HydrophobicContact CG2-CD2 3.37Å; V38-W55 HydrophobicContact CG2-CE3 3.3Å; V38-W55 HydrophobicContact CG2-CG 4.11Å; V38-W55 HydrophobicContact CG2-CH2 3.55Å; V38-W55 HydrophobicContact CG2-CZ2 3.62Å; V38-W55 HydrophobicContact CG2-CZ3 3.39Å
39R96.8Very high97.2Very high31 Ų3155.1 Ų55.112%0.11728%0.284CS..EExtended strand (participates in β ladder)trans-131145.7169.875.2-169.4-35.4-167.54.1111.5G27 V29 S53 V54 G59G27-R39 PolarHBondContact O-NE 2.83Å; G27-R39 PolarHBondContact O-NH2 3.36Å; G27-R39 VanDerWaalsContact O-NH2 3.08Å; V29-R39 HydrophobicContact CG2-CB 4.36Å; R39-S53 WeakPolarHBondContact O-CA 3.26Å; R39-V54 PolarHBondContact N-O 2.56Å; R39-V54 PolarHBondContact O-N 3.08Å; R39-G59 WeakPolarHBondContact CD-O 3.34Å; R39-G59 PolarHBondContact NH1-O 2.88Å
40T97.8Very high97.3Very high59 Ų5952.3 Ų52.336%0.36227%0.267SS..EExtended strand (participates in β ladder)trans-96.5127.4172.3-54.80000109G27 N51 I52G27-T40 WeakPolarHBondContact CA-O 3.35Å; G27-T40 PolarHBondContact N-O 2.8Å; T40-N51 HydrophobicContact CG2-CB 3.82Å; T40-I52 CarbonylContact C-O 3.5Å; T40-I52 WeakPolarHBondContact CA-O 3.49Å
41C98.3Very high97.4Very high1 Ų150.1 Ų50.11%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-112.7142.1172.6-570000109.5V23 E25 V43 N51 I52V23-C41 HydrophobicContact CG1-CB 4.45Å; E25-C41 CarbonylContact O-C 3.56Å; E25-C41 WeakPolarHBondContact O-CA 3.41Å; E25-C41 WeakPolarHBondContact O-CB 3.34Å; C41-V43 HydrophobicContact CB-CG1 4.38Å; C41-N51 CarbonylContact O-C 3.5Å; C41-N51 WeakPolarHBondContact O-CA 3.33Å; C41-I52 HydrophobicContact CB-CG2 3.86Å; C41-I52 PolarHBondContact N-O 3.44Å; C41-I52 PolarHBondContact O-N 3.43Å
42K98.6Very high97.5Very high35 Ų3543.1 Ų43.115%0.15222%0.222CC..EExtended strand (participates in β ladder)trans-88.1125168.2-177.2-179.4167.1-166.80107.8L24 E25 E104L24-K42 HydrophobicContact CB-CG 4.38Å; L24-K42 HydrophobicContact CD1-CD 4.41Å; L24-K42 HydrophobicContact CD1-CG 4.3Å; L24-K42 PolarHBondContact N-O 3.4Å; E25-K42 HydrophobicContact CB-CB 4.09Å; E25-K42 PolarHBondContact N-O 3.04Å; E25-K42 PolarHBondContact O-N 2.58Å; E25-K42 IonicContact OE1-NZ 2.9Å; E25-K42 PolarHBondContact OE1-NZ 2.86Å; K42-E104 IonicContact NZ-OE2 3.2Å; K42-E104 PolarHBondContact NZ-OE2 3.1Å
43V98.8Very high97.7Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-128.3155.9-178.7-57.30000110.1F21 I22 V23 C41 S49 I50 I52F21-V43 HydrophobicContact CB-CB 4.17Å; F21-V43 HydrophobicContact CB-CG2 4.34Å; F21-V43 HydrophobicContact CD1-CG2 4.39Å; F21-V43 HydrophobicContact CD2-CB 3.43Å; F21-V43 VanDerWaalsContact CD2-CB 3.43Å; F21-V43 HydrophobicContact CD2-CG1 3.55Å; F21-V43 HydrophobicContact CD2-CG2 3.87Å; F21-V43 HydrophobicContact CE2-CB 3.95Å; F21-V43 HydrophobicContact CE2-CG1 3.58Å; F21-V43 HydrophobicContact CE2-CG2 4.21Å; F21-V43 HydrophobicContact CG-CB 3.89Å; F21-V43 HydrophobicContact CG-CG1 4.44Å; F21-V43 HydrophobicContact CG-CG2 3.94Å; F21-V43 HydrophobicContact CZ-CG1 4.49Å; I22-V43 CarbonylContact O-C 3.6Å; I22-V43 VanDerWaalsContact O-CA 3.26Å; I22-V43 WeakPolarHBondContact O-CA 3.5Å; V23-V43 HydrophobicContact CB-CG1 4.49Å; V23-V43 HydrophobicContact CG2-CG1 4.08Å; C41-V43 HydrophobicContact CB-CG1 4.38Å; V43-S49 CarbonylContact O-C 3.58Å; V43-S49 WeakPolarHBondContact O-CA 3.49Å; V43-S49 WeakPolarHBondContact O-CB 3.39Å; V43-I50 HydrophobicContact CG2-CG2 3.76Å; V43-I50 VanDerWaalsContact CG2-O 3.28Å; V43-I50 WeakPolarHBondContact CG2-O 3.49Å; V43-I50 PolarHBondContact N-O 2.83Å; V43-I50 PolarHBondContact O-N 3.28Å; V43-I50 VanDerWaalsContact O-O 3.1Å; V43-I52 HydrophobicContact CG1-CG2 3.6Å; V43-I52 HydrophobicContact CG2-CB 4.45Å; V43-I52 HydrophobicContact CG2-CG2 4.19Å
44A98.8Very high97.8Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-146.2158.2-177.800000113.4F21 I22 L24 G48 Y102F21-A44 CarbonylContact C-O 3.6Å; F21-A44 WeakPolarHBondContact CA-O 3.47Å; F21-A44 WeakPolarHBondContact CB-O 3.34Å; I22-A44 WeakPolarHBondContact CG2-O 3.2Å; I22-A44 PolarHBondContact N-O 3.23Å; I22-A44 PolarHBondContact O-N 3.06Å; L24-A44 HydrophobicContact CD1-CB 3.6Å; L24-A44 HydrophobicContact CD2-CB 4.31Å; L24-A44 HydrophobicContact CG-CB 4.02Å; A44-G48 WeakPolarHBondContact CA-O 3.37Å; A44-G48 WeakPolarHBondContact CB-O 3.2Å; A44-Y102 HydrophobicContact CB-CD2 4.09Å; A44-Y102 HydrophobicContact CB-CG 4.32Å
45D98.4Very high97.9Very high4 Ų430.6 Ų30.62%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-127.9-17216272.211.6000109.3F6 V7 T47 G48 M100 Y102 S103F6-D45 VanDerWaalsContact CA-OD2 3.28Å; F6-D45 WeakPolarHBondContact CA-OD2 3.47Å; F6-D45 WeakPolarHBondContact CB-OD2 3.48Å; F6-D45 WeakPolarHBondContact CD1-OD2 3.3Å; V7-D45 HydrophobicContact CG2-CB 4.12Å; V7-D45 VanDerWaalsContact CG2-CG 3.45Å; V7-D45 WeakPolarHBondContact CG2-OD2 3.28Å; V7-D45 PolarHBondContact N-OD2 2.84Å; D45-T47 PolarHBondContact O-N 3.45Å; D45-T47 VanDerWaalsContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CA 3.48Å; D45-T47 VanDerWaalsContact OD1-CB 3.28Å; D45-T47 WeakPolarHBondContact OD1-CB 3.28Å; D45-T47 PolarHBondContact OD1-N 2.79Å; D45-T47 PolarHBondContact OD1-OG1 3.33Å; D45-T47 PolarHBondContact OD2-OG1 3.08Å; D45-G48 PolarHBondContact N-O 2.9Å; D45-G48 VanDerWaalsContact N-O 3.08Å; D45-G48 PolarHBondContact O-N 3.25Å; D45-G48 PolarHBondContact OD1-N 2.84Å; D45-M100 HydrophobicContact CB-CE 3.99Å; D45-Y102 CarbonylContact O-C 3.57Å; D45-Y102 WeakPolarHBondContact O-CA 3.13Å; D45-S103 PolarHBondContact O-N 2.91Å
46K98.1Very high97.9Very high137 Ų13731.4 Ų31.460%0.59615%0.149SC*.THydrogen-bonded Turntrans-60.6-10.1178.969.4-178.6-179.6-1760115F6F6-K46 VanDerWaalsContact CE1-CE 3.44Å
47T98.6Very high97.8Very high25 Ų2533.6 Ų33.615%0.15316%0.164CC..THydrogen-bonded Turntrans-106.9-10.9-173.174.50000114.2F6 V7 K8 D45F6-T47 HydrophobicContact CB-CG2 3.75Å; F6-T47 HydrophobicContact CD1-CG2 4.01Å; F6-T47 HydrophobicContact CG-CG2 3.9Å; V7-T47 PolarHBondContact N-OG1 3.47Å; K8-T47 HydrophobicContact CD-CG2 3.94Å; K8-T47 HydrophobicContact CG-CG2 4.01Å; K8-T47 PolarHBondContact N-OG1 3.06Å; D45-T47 PolarHBondContact O-N 3.45Å; D45-T47 VanDerWaalsContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CA 3.48Å; D45-T47 VanDerWaalsContact OD1-CB 3.28Å; D45-T47 WeakPolarHBondContact OD1-CB 3.28Å; D45-T47 PolarHBondContact OD1-N 2.79Å; D45-T47 PolarHBondContact OD1-OG1 3.33Å; D45-T47 PolarHBondContact OD2-OG1 3.08Å
48G98.4Very high97.7Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans148.1-17317700000112.4A44 D45 S103 P106A44-G48 WeakPolarHBondContact CA-O 3.37Å; A44-G48 WeakPolarHBondContact CB-O 3.2Å; D45-G48 PolarHBondContact N-O 2.9Å; D45-G48 VanDerWaalsContact N-O 3.08Å; D45-G48 PolarHBondContact O-N 3.25Å; D45-G48 PolarHBondContact OD1-N 2.84Å; G48-S103 CarbonylContact C-O 3.49Å; G48-S103 WeakPolarHBondContact CA-O 3.38Å; G48-P106 WeakPolarHBondContact CA-O 3.33Å
49S98.8Very high97.6Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-114.3154.717976.50000113.3V43 E104 P106 N107 F108V43-S49 CarbonylContact O-C 3.58Å; V43-S49 WeakPolarHBondContact O-CA 3.49Å; V43-S49 WeakPolarHBondContact O-CB 3.39Å; S49-E104 PolarHBondContact OG-O 2.84Å; S49-P106 PolarHBondContact N-O 2.79Å; S49-N107 WeakPolarHBondContact OG-CA 3.47Å; S49-N107 WeakPolarHBondContact OG-CB 3.43Å; S49-N107 PolarHBondContact OG-OD1 2.86Å; S49-F108 WeakPolarHBondContact O-CD2 3.28Å; S49-F108 PolarHBondContact O-N 2.93Å
50I98.7Very high97.5Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-147.9155.1175.1-166.3172.4000109.9V7 I10 V43 L82 L84 F108 S109V7-I50 HydrophobicContact CG1-CB 3.83Å; V7-I50 HydrophobicContact CG1-CG2 3.85Å; V7-I50 HydrophobicContact CG2-CG2 4.1Å; I10-I50 HydrophobicContact CB-CD1 4.29Å; I10-I50 HydrophobicContact CD1-CD1 3.92Å; I10-I50 HydrophobicContact CG2-CD1 3.96Å; V43-I50 HydrophobicContact CG2-CG2 3.76Å; V43-I50 VanDerWaalsContact CG2-O 3.28Å; V43-I50 WeakPolarHBondContact CG2-O 3.49Å; V43-I50 PolarHBondContact N-O 2.83Å; V43-I50 PolarHBondContact O-N 3.28Å; V43-I50 VanDerWaalsContact O-O 3.1Å; I50-L82 HydrophobicContact CD1-CD2 4.21Å; I50-L82 HydrophobicContact CD1-CG 4.11Å; I50-L84 HydrophobicContact CD1-CB 4.49Å; I50-F108 HydrophobicContact CG1-CB 4.46Å; I50-S109 WeakPolarHBondContact CG1-OG 3.47Å
51N98.5Very high97.4Very high36 Ų3639.1 Ų39.119%0.19320%0.196CC..EExtended strand (participates in β ladder)trans-83.4136.9171.7-71.7-14.3000110.2T40 C41 T83 L84 S109T40-N51 HydrophobicContact CG2-CB 3.82Å; C41-N51 CarbonylContact O-C 3.5Å; C41-N51 WeakPolarHBondContact O-CA 3.33Å; N51-T83 HydrophobicContact CB-CG2 4.44Å; N51-T83 CarbonylContact O-C 3.53Å; N51-T83 WeakPolarHBondContact O-CA 2.95Å; N51-L84 PolarHBondContact O-N 2.74Å; N51-S109 WeakPolarHBondContact CB-OG 3.35Å; N51-S109 PolarHBondContact N-OG 2.81Å; N51-S109 WeakPolarHBondContact ND2-CB 3.46Å
52I98.6Very high97.4Very high2 Ų239.5 Ų39.51%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-117.7135.2167.4-171.9175.1000109.2F21 T40 C41 V43 V54 L70 L84 L92F21-I52 HydrophobicContact CE1-CD1 4.41Å; F21-I52 HydrophobicContact CZ-CD1 3.84Å; T40-I52 CarbonylContact C-O 3.5Å; T40-I52 WeakPolarHBondContact CA-O 3.49Å; C41-I52 HydrophobicContact CB-CG2 3.86Å; C41-I52 PolarHBondContact N-O 3.44Å; C41-I52 PolarHBondContact O-N 3.43Å; V43-I52 HydrophobicContact CG1-CG2 3.6Å; V43-I52 HydrophobicContact CG2-CB 4.45Å; V43-I52 HydrophobicContact CG2-CG2 4.19Å; I52-V54 HydrophobicContact CD1-CG2 4.26Å; I52-V54 HydrophobicContact CG1-CG2 4.09Å; I52-V54 HydrophobicContact CG2-CG2 4.16Å; I52-L70 HydrophobicContact CD1-CD2 4.37Å; I52-L84 CarbonylContact C-O 3.6Å; I52-L84 WeakPolarHBondContact CA-O 3.48Å; I52-L84 HydrophobicContact CB-CB 4.08Å; I52-L84 HydrophobicContact CB-CD2 4.45Å; I52-L84 HydrophobicContact CD1-CD2 4.08Å; I52-L84 HydrophobicContact CD1-CG 4.3Å; I52-L84 HydrophobicContact CG1-CB 4.05Å; I52-L84 HydrophobicContact CG1-CD2 4.3Å; I52-L84 HydrophobicContact CG1-CG 4.2Å; I52-L84 WeakPolarHBondContact CG1-O 3.39Å; I52-L92 HydrophobicContact CD1-CD1 4.36Å; I52-L92 HydrophobicContact CD1-CD2 3.97Å
53S98.1Very high97.4Very high7 Ų742.6 Ų42.65%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-99.5120.6171-64.40000110R39 T83 L84R39-S53 WeakPolarHBondContact O-CA 3.26Å; S53-T83 WeakPolarHBondContact OG-CG2 3.43Å; S53-L84 PolarHBondContact N-O 3.11Å
54V97.7Very high97.4Very high3 Ų346 Ų462%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-116138.1-176.5-168.50000109.2V38 R39 I52 V58 I62 L92V38-V54 WeakPolarHBondContact CA-O 3.15Å; R39-V54 PolarHBondContact N-O 2.56Å; R39-V54 PolarHBondContact O-N 3.08Å; I52-V54 HydrophobicContact CD1-CG2 4.26Å; I52-V54 HydrophobicContact CG1-CG2 4.09Å; I52-V54 HydrophobicContact CG2-CG2 4.16Å; V54-V58 HydrophobicContact CG1-CB 4.09Å; V54-V58 HydrophobicContact CG1-CG1 3.84Å; V54-I62 HydrophobicContact CB-CD1 4.25Å; V54-I62 HydrophobicContact CG1-CD1 3.9Å; V54-I62 HydrophobicContact CG2-CD1 3.83Å; V54-L92 HydrophobicContact CG1-CD1 3.78Å; V54-L92 HydrophobicContact CG2-CD1 3.96Å
55W96.1Very high97.3Very high110 Ų11046.9 Ų46.942%0.41724%0.244SC..EExtended strand (participates in β ladder)trans-106.2150-172.7-67.770.7000111.3T32 H36 E37 V38T32-W55 HydrophobicContact CG2-CH2 3.85Å; T32-W55 HydrophobicContact CG2-CZ3 3.82Å; H36-W55 HydrophobicContact CB-CE3 3.73Å; H36-W55 HydrophobicContact CB-CZ3 3.71Å; E37-W55 CarbonylContact O-C 3.55Å; E37-W55 VanDerWaalsContact O-CA 3.31Å; E37-W55 WeakPolarHBondContact O-CA 3.15Å; V38-W55 HydrophobicContact CG2-CD2 3.37Å; V38-W55 HydrophobicContact CG2-CE3 3.3Å; V38-W55 HydrophobicContact CG2-CG 4.11Å; V38-W55 HydrophobicContact CG2-CH2 3.55Å; V38-W55 HydrophobicContact CG2-CZ2 3.62Å; V38-W55 HydrophobicContact CG2-CZ3 3.39Å
56D95.9Very high97.4Very high64 Ų6447 Ų4734%0.34225%0.245SC..Hα-helixtrans52.9-147.1169.6-53.3-47.9000113.4H36 E37 V58 G59H36-D56 IonicContact CE1-OD1 2.86Å; H36-D56 IonicContact CE1-OD2 3.27Å; H36-D56 IonicContact CG-OD1 3.93Å; H36-D56 IonicContact ND1-OD1 3.58Å; H36-D56 PolarHBondContact ND1-OD1 3.02Å; H36-D56 IonicContact ND1-OD2 3.45Å; H36-D56 PolarHBondContact ND1-OD2 3.1Å; E37-D56 PolarHBondContact N-OD1 2.89Å; E37-D56 PolarHBondContact O-N 3.19Å; D56-V58 PolarHBondContact O-N 3.15Å; D56-V58 VanDerWaalsContact O-N 3.17Å; D56-G59 PolarHBondContact O-N 3.16Å
57D95.1Very high97.4Very high125 Ų12541.6 Ų41.667%0.66822%0.223SC*.Hα-helixtrans-57.3-33.7-173.2-64.6-28.3000113.1G59 N60 L61D57-G59 PolarHBondContact O-N 3.16Å; D57-N60 WeakPolarHBondContact O-CB 3.28Å; D57-N60 PolarHBondContact O-N 3.18Å; D57-L61 WeakPolarHBondContact O-CG 3.29Å; D57-L61 PolarHBondContact O-N 3.2Å
58V95.1Very high97.4Very high71 Ų7140.6 Ų40.643%0.4322%0.216SC..Hα-helixtrans-59.7-38.4177.7-178.90000110.5V54 D56 N60 L61 I62 L92V54-V58 HydrophobicContact CG1-CB 4.09Å; V54-V58 HydrophobicContact CG1-CG1 3.84Å; D56-V58 PolarHBondContact O-N 3.15Å; D56-V58 VanDerWaalsContact O-N 3.17Å; V58-N60 VanDerWaalsContact C-N 3.28Å; V58-N60 PolarHBondContact O-N 3.2Å; V58-L61 PolarHBondContact O-N 3.01Å; V58-I62 WeakPolarHBondContact O-CG1 3.37Å; V58-L92 HydrophobicContact CG1-CB 4.28Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å
59G94.8Very high97.4Very high1 Ų144.4 Ų44.41%0.0123%0.231CC..Hα-helixtrans-61.9-37.5175.500000112.3R39 D56 D57 L61R39-G59 WeakPolarHBondContact CD-O 3.34Å; R39-G59 PolarHBondContact NH1-O 2.88Å; D56-G59 PolarHBondContact O-N 3.16Å; D57-G59 PolarHBondContact O-N 3.16Å; G59-L61 VanDerWaalsContact C-N 3.31Å; G59-L61 PolarHBondContact O-N 3.4Å
60N94.8Very high97.3Very high66 Ų6644.4 Ų44.435%0.35323%0.231SC..Hα-helixtrans-73.2-23.5-177.4-68.3-33.4000113E37 D57 V58E37-N60 PolarHBondContact OE2-ND2 2.84Å; D57-N60 WeakPolarHBondContact O-CB 3.28Å; D57-N60 PolarHBondContact O-N 3.18Å; V58-N60 VanDerWaalsContact C-N 3.28Å; V58-N60 PolarHBondContact O-N 3.2Å
61L96Very high97.3Very high134 Ų13446.2 Ų46.270%0.70224%0.242SC*.Hα-helixtrans-80.9-22.5178.6-63.1173.7000113.8D57 V58 G59D57-L61 WeakPolarHBondContact O-CG 3.29Å; D57-L61 PolarHBondContact O-N 3.2Å; V58-L61 PolarHBondContact O-N 3.01Å; G59-L61 VanDerWaalsContact C-N 3.31Å; G59-L61 PolarHBondContact O-N 3.4Å
62I97.5Very high97.2Very high10 Ų1049.2 Ų49.25%0.05125%0.253CS..  trans-74.2133-176.2-67.5170.5000111.2V23 T26 V54 V58 I68 L92V23-I62 HydrophobicContact CB-CG2 4.39Å; V23-I62 HydrophobicContact CG1-CG2 3.95Å; V23-I62 HydrophobicContact CG2-CG2 3.78Å; T26-I62 HydrophobicContact CG2-CG2 4.24Å; V54-I62 HydrophobicContact CB-CD1 4.25Å; V54-I62 HydrophobicContact CG1-CD1 3.9Å; V54-I62 HydrophobicContact CG2-CD1 3.83Å; V58-I62 WeakPolarHBondContact O-CG1 3.37Å; I62-I68 HydrophobicContact CD1-CD1 4.06Å; I62-I68 HydrophobicContact CG1-CD1 3.84Å; I62-I68 HydrophobicContact CG2-CD1 4.11Å; I62-L92 HydrophobicContact CD1-CD1 4.21Å
63Q98.1Very high97.2Very high100 Ų10049.1 Ų49.147%0.46725%0.252SS..  trans-122.8153176.3-60.8-58.5-44.800112.1V23 G65 D66V23-Q63 WeakPolarHBondContact CB-O 3.42Å; Q63-G65 PolarHBondContact O-N 3.35Å; Q63-D66 PolarHBondContact N-OD2 3Å; Q63-D66 WeakPolarHBondContact O-CB 3.43Å; Q63-D66 VanDerWaalsContact O-CG 3.28Å; Q63-D66 PolarHBondContact O-N 2.97Å
64P98.4Very high97.2Very high70 Ų7052.9 Ų52.946%0.45527%0.266SS..THydrogen-bonded Turntrans-54.6137.1167.1-24.335.4000111.5T26T26-P64 HydrophobicContact CG2-CG 4.19Å
65G98.4Very high97.2Very high19 Ų1952.9 Ų52.920%0.19627%0.266CS..THydrogen-bonded Turntrans90.5-12.4-176.300000114.8V23 Q63 I67 E97 F98V23-G65 PolarHBondContact O-N 3.17Å; Q63-G65 PolarHBondContact O-N 3.35Å; G65-I67 PolarHBondContact O-N 3.23Å; G65-E97 CarbonylContact O-C 3.58Å; G65-E97 WeakPolarHBondContact O-CA 3.13Å; G65-F98 PolarHBondContact O-N 3.38Å
66D98.6Very high97.2Very high8 Ų850.1 Ų50.14%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-62.6135.7176-74.6-17.8000111.3I22 V23 Q63 I68 K94I22-D66 CarbonylContact C-O 3.04Å; I22-D66 VanDerWaalsContact CA-O 3.31Å; I22-D66 WeakPolarHBondContact CA-O 3.35Å; V23-D66 HydrophobicContact CB-CB 4.5Å; V23-D66 HydrophobicContact CG2-CB 4.13Å; V23-D66 PolarHBondContact N-O 3.46Å; Q63-D66 PolarHBondContact N-OD2 3Å; Q63-D66 WeakPolarHBondContact O-CB 3.43Å; Q63-D66 VanDerWaalsContact O-CG 3.28Å; Q63-D66 PolarHBondContact O-N 2.97Å; D66-I68 HydrophobicContact CB-CD1 4.13Å; D66-I68 HydrophobicContact CB-CG1 4.02Å; D66-K94 HydrophobicContact CB-CD 4.46Å; D66-K94 WeakPolarHBondContact OD1-CE 3.37Å; D66-K94 IonicContact OD1-NZ 3.41Å; D66-K94 PolarHBondContact OD1-NZ 3.09Å
67I98.6Very high97.3Very high23 Ų2347.9 Ų47.912%0.11825%0.252CS..EExtended strand (participates in β ladder)trans-98.2116.8169.2-56167.5000107.4I20 F21 I22 G65 I95 G96 M100I20-I67 HydrophobicContact CG2-CG2 3.68Å; F21-I67 WeakPolarHBondContact O-CA 3.47Å; I22-I67 HydrophobicContact CG1-CG1 4.44Å; G65-I67 PolarHBondContact O-N 3.23Å; I67-I95 HydrophobicContact CB-CG1 4.36Å; I67-I95 HydrophobicContact CG2-CD1 4.07Å; I67-I95 HydrophobicContact CG2-CG1 3.81Å; I67-I95 WeakPolarHBondContact O-CG1 3.45Å; I67-I95 PolarHBondContact O-N 2.9Å; I67-G96 PolarHBondContact N-O 2.56Å; I67-G96 PolarHBondContact O-N 2.78Å; I67-M100 HydrophobicContact CD1-CB 3.7Å; I67-M100 HydrophobicContact CG1-CB 3.85Å; I67-M100 HydrophobicContact CG2-SD 3.9Å
68I98.5Very high97.1Very high4 Ų447 Ų472%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-121.2133.6-172.3-60.3178.1000109.6I20 F21 V23 I62 D66 L92 Q93I20-I68 WeakPolarHBondContact CA-O 3.25Å; F21-I68 HydrophobicContact CD2-CB 4.28Å; F21-I68 HydrophobicContact CE2-CB 3.72Å; F21-I68 HydrophobicContact CE2-CD1 4.41Å; F21-I68 HydrophobicContact CE2-CG2 4.12Å; F21-I68 HydrophobicContact CZ-CB 4.1Å; F21-I68 HydrophobicContact CZ-CG2 4.01Å; F21-I68 PolarHBondContact N-O 3.3Å; F21-I68 PolarHBondContact O-N 2.69Å; V23-I68 HydrophobicContact CG2-CD1 3.72Å; V23-I68 HydrophobicContact CG2-CG1 4.36Å; I62-I68 HydrophobicContact CD1-CD1 4.06Å; I62-I68 HydrophobicContact CG1-CD1 3.84Å; I62-I68 HydrophobicContact CG2-CD1 4.11Å; D66-I68 HydrophobicContact CB-CD1 4.13Å; D66-I68 HydrophobicContact CB-CG1 4.02Å; I68-L92 HydrophobicContact CG2-CB 3.98Å; I68-L92 HydrophobicContact CG2-CD2 3.78Å; I68-L92 HydrophobicContact CG2-CG 4.46Å; I68-Q93 CarbonylContact C-O 3.55Å; I68-Q93 WeakPolarHBondContact CA-O 3.49Å
69R98.2Very high96.8Very high80 Ų8052 Ų5230%0.30226%0.259SS..EExtended strand (participates in β ladder)trans-91.5121.4165.2-175.4-175.3-65.4-870.4108.4E4 L19 I20 T71 Q93 I95E4-R69 IonicContact OE1-CZ 2.71Å; E4-R69 IonicContact OE1-NH1 2.69Å; E4-R69 PolarHBondContact OE1-NH1 2.9Å; E4-R69 IonicContact OE1-NH2 2.82Å; L19-R69 WeakPolarHBondContact O-CA 3.38Å; I20-R69 HydrophobicContact CG1-CB 4.29Å; I20-R69 HydrophobicContact CG1-CG 4.26Å; R69-T71 HydrophobicContact CG-CG2 4.34Å; R69-Q93 PolarHBondContact N-O 3.48Å; R69-Q93 PolarHBondContact O-N 3.2Å; R69-I95 HydrophobicContact CB-CD1 4.3Å; R69-I95 HydrophobicContact CB-CG2 4.12Å
70L98.1Very high96.8Very high0 Ų052.9 Ų52.90%027%0.268CS..EExtended strand (participates in β ladder)trans-95.8132166.4171.460.8000109.2N18 L19 F21 I52 L84 T86 D91 L92N18-L70 WeakPolarHBondContact CA-O 3.32Å; L19-L70 HydrophobicContact CD2-CB 4.19Å; L19-L70 HydrophobicContact CD2-CD2 3.77Å; L19-L70 HydrophobicContact CD2-CG 4.19Å; L19-L70 HydrophobicContact CG-CB 4.22Å; L19-L70 HydrophobicContact CG-CD2 4.41Å; L19-L70 PolarHBondContact N-O 2.86Å; L19-L70 VanDerWaalsContact N-O 3.12Å; L19-L70 PolarHBondContact O-N 3.04Å; F21-L70 HydrophobicContact CE1-CB 3.78Å; F21-L70 HydrophobicContact CZ-CB 4.4Å; I52-L70 HydrophobicContact CD1-CD2 4.37Å; L70-L84 HydrophobicContact CD2-CD1 3.89Å; L70-L84 HydrophobicContact CD2-CD2 3.52Å; L70-L84 HydrophobicContact CD2-CG 3.66Å; L70-T86 HydrophobicContact CD1-CG2 4.14Å; L70-D91 WeakPolarHBondContact CA-O 3.4Å; L70-D91 WeakPolarHBondContact CD1-O 3.41Å; L70-L92 HydrophobicContact CB-CD2 3.78Å; L70-L92 HydrophobicContact CD1-CD2 3.64Å; L70-L92 HydrophobicContact CD1-CG 4.33Å; L70-L92 HydrophobicContact CG-CD2 4.19Å
71T97.8Very high96.8Very high38 Ų3851 Ų5123%0.23326%0.259CS..EExtended strand (participates in β ladder)trans-114.9146.616877.20000111.7N18 R69 G73 G90 D91N18-T71 WeakPolarHBondContact OD1-CA 3.35Å; R69-T71 HydrophobicContact CG-CG2 4.34Å; T71-G73 PolarHBondContact O-N 2.8Å; T71-G73 VanDerWaalsContact O-N 3.1Å; T71-G90 WeakPolarHBondContact O-CA 3.41Å; T71-D91 WeakPolarHBondContact CB-OD1 2.86Å; T71-D91 WeakPolarHBondContact CG2-OD1 3.41Å; T71-D91 PolarHBondContact N-O 3.35Å; T71-D91 PolarHBondContact O-N 3.44Å; T71-D91 PolarHBondContact OG1-N 3.28Å; T71-D91 PolarHBondContact OG1-OD1 3.36Å
72K96.8Very high96.8Very high98 Ų9844.6 Ų44.643%0.42623%0.226SC..EExtended strand (participates in β ladder)trans47.339.4-178.8-50.7-175.3-164.7150.90113.8L17 N18 G87 G89L17-K72 PolarHBondContact O-N 3.38Å; L17-K72 VanDerWaalsContact O-N 3.16Å; N18-K72 PolarHBondContact OD1-N 2.94Å; N18-K72 VanDerWaalsContact OD1-N 3.15Å; K72-G87 WeakPolarHBondContact O-CA 3.38Å; K72-G87 PolarHBondContact O-N 2.92Å; K72-G87 VanDerWaalsContact O-N 3.08Å; K72-G89 WeakPolarHBondContact CD-O 3.37Å; K72-G89 PolarHBondContact NZ-O 3.44Å
73G97.9Very high96.9Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-66.6165.7172.600000112.6K15 N16 L17 T71 Y85K15-G73 CarbonylContact C-O 3.5Å; N16-G73 PolarHBondContact N-O 3Å; L17-G73 PolarHBondContact N-O 2.91Å; L17-G73 PolarHBondContact O-N 3.33Å; T71-G73 PolarHBondContact O-N 2.8Å; T71-G73 VanDerWaalsContact O-N 3.1Å; G73-Y85 CarbonylContact C-O 3.6Å; G73-Y85 WeakPolarHBondContact CA-O 3.44Å
74Y98.2Very high96.9Very high87 Ų8739.6 Ų39.634%0.34120%0.203SC..EExtended strand (participates in β ladder)trans-140.2154.6167.970.8-84.5000111L14 Y85 T86L14-Y74 CarbonylContact O-C 3.46Å; L14-Y74 VanDerWaalsContact O-CA 3.23Å; L14-Y74 WeakPolarHBondContact O-CA 3.45Å; L14-Y74 WeakPolarHBondContact O-CB 3.36Å; Y74-Y85 HydrophobicContact CD2-CD2 4.07Å; Y74-Y85 HydrophobicContact CD2-CG 4.45Å; Y74-Y85 HydrophobicContact CE1-CG 4.16Å; Y74-Y85 AromaticContact CE2-CD2 3.54Å; Y74-Y85 HydrophobicContact CE2-CD2 3.54Å; Y74-Y85 HydrophobicContact CE2-CE2 4.38Å; Y74-Y85 AromaticContact CE2-CG 3.73Å; Y74-Y85 HydrophobicContact CE2-CG 3.73Å; Y74-Y85 AromaticContact CZ-CD2 3.9Å; Y74-Y85 AromaticContact CZ-CG 3.56Å; Y74-Y85 PolarHBondContact N-O 2.91Å; Y74-Y85 PolarHBondContact O-N 2.77Å; Y74-Y85 WeakPolarHBondContact OH-CB 3.4Å; Y74-T86 WeakPolarHBondContact CE1-O 3.34Å
75A98.1Very high96.9Very high2 Ų237.5 Ų37.52%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-113.4135.5178.500000110.7I10 G13 L14 L17 L82 T83I10-A75 HydrophobicContact CG2-CB 3.36Å; G13-A75 PolarHBondContact N-O 3.12Å; L14-A75 PolarHBondContact O-N 2.91Å; L17-A75 HydrophobicContact CD1-CB 4.01Å; A75-L82 HydrophobicContact CB-CD1 4.03Å; A75-T83 WeakPolarHBondContact CA-O 3.47Å
76S97.2Very high96.8Very high52 Ų5239 Ų3936%0.36419%0.191SC..EExtended strand (participates in β ladder)trans-143.2162.3176.5-169.30000109.9T83S76-T83 PolarHBondContact N-O 3.06Å; S76-T83 PolarHBondContact O-N 2.97Å
77V96Very high96.7Very high17 Ų1739.4 Ų39.410%0.10320%0.197CC..EExtended strand (participates in β ladder)trans-95.2125.8175.9178.20000109.1P12 C81 L82 Y115P12-V77 HydrophobicContact CB-CG2 3.96Å; P12-V77 HydrophobicContact CG-CG2 3.74Å; V77-C81 WeakPolarHBondContact CA-O 3.45Å; V77-L82 HydrophobicContact CG2-CD1 4.49Å; V77-Y115 HydrophobicContact CG1-CD2 4.32Å; V77-Y115 HydrophobicContact CG1-CG 4.28Å; V77-Y115 HydrophobicContact CG2-CD1 4Å; V77-Y115 HydrophobicContact CG2-CD2 3.84Å; V77-Y115 HydrophobicContact CG2-CE2 4.45Å; V77-Y115 HydrophobicContact CG2-CG 3.61Å
78F91.5Very high96.6Very high107 Ų10750.1 Ų50.147%0.46924%0.236SC..EExtended strand (participates in β ladder)trans-124.1122.8174.4-179.9-109.3000109.5G80 C81 Y85F78-G80 PolarHBondContact O-N 2.83Å; F78-C81 PolarHBondContact N-O 3.36Å; F78-C81 WeakPolarHBondContact O-CB 3.44Å; F78-C81 PolarHBondContact O-N 3.16Å; F78-Y85 WeakPolarHBondContact CB-OH 3.33Å
79K90.2Very high96.4Very high177 Ų17752.7 Ų52.777%0.7726%0.264SS*.THydrogen-bonded Turntrans50.539-177.2-60.2-179.6175.8176.90113.5C81K79-C81 VanDerWaalsContact C-N 3.29Å; K79-C81 PolarHBondContact O-N 2.83Å
80G93Very high96.4Very high19 Ų1949.8 Ų49.820%0.19626%0.259CS..THydrogen-bonded Turntrans83.4-6.3-179.500000115.3F78 P111 N112F78-G80 PolarHBondContact O-N 2.83Å; G80-P111 WeakPolarHBondContact O-CA 3.23Å; G80-N112 PolarHBondContact O-N 3.42Å; G80-N112 VanDerWaalsContact O-N 3.16Å
81C95Very high96.3Very high25 Ų2553.5 Ų53.517%0.16928%0.278CS..EExtended strand (participates in β ladder)trans-100.2127.8179.7-61.70000111.4V77 F78 K79 T83 S109V77-C81 WeakPolarHBondContact CA-O 3.45Å; F78-C81 PolarHBondContact N-O 3.36Å; F78-C81 WeakPolarHBondContact O-CB 3.44Å; F78-C81 PolarHBondContact O-N 3.16Å; K79-C81 VanDerWaalsContact C-N 3.29Å; K79-C81 PolarHBondContact O-N 2.83Å; C81-T83 PolarHBondContact O-N 3.19Å; C81-T83 PolarHBondContact O-OG1 3.26Å; C81-T83 VanDerWaalsContact O-OG1 3.06Å; C81-S109 VanDerWaalsContact CB-O 3.25Å; C81-S109 WeakPolarHBondContact CB-O 3.49Å; C81-S109 PolarHBondContact SG-O 2.85Å
82L97.2Very high96.3Very high1 Ų153.3 Ų53.31%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-62.5123.5167.3-179.561.3000108.9I10 P12 I50 A75 V77 F108 S109 Y115I10-L82 HydrophobicContact CG2-CD2 4.2Å; P12-L82 HydrophobicContact CB-CD1 4.36Å; P12-L82 HydrophobicContact CG-CD1 3.94Å; I50-L82 HydrophobicContact CD1-CD2 4.21Å; I50-L82 HydrophobicContact CD1-CG 4.11Å; A75-L82 HydrophobicContact CB-CD1 4.03Å; V77-L82 HydrophobicContact CG2-CD1 4.49Å; L82-F108 WeakPolarHBondContact CB-O 3.43Å; L82-F108 HydrophobicContact CD2-CB 4.39Å; L82-S109 WeakPolarHBondContact O-CB 3.34Å; L82-S109 PolarHBondContact O-OG 2.86Å; L82-Y115 HydrophobicContact CB-CE2 4.29Å
83T98.1Very high96.3Very high5 Ų553.6 Ų53.63%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-134.2136.9-172.3-54.20000109.8N51 S53 A75 S76 C81 Y85N51-T83 HydrophobicContact CB-CG2 4.44Å; N51-T83 CarbonylContact O-C 3.53Å; N51-T83 WeakPolarHBondContact O-CA 2.95Å; S53-T83 WeakPolarHBondContact OG-CG2 3.43Å; A75-T83 WeakPolarHBondContact CA-O 3.47Å; S76-T83 PolarHBondContact N-O 3.06Å; S76-T83 PolarHBondContact O-N 2.97Å; C81-T83 PolarHBondContact O-N 3.19Å; C81-T83 PolarHBondContact O-OG1 3.26Å; C81-T83 VanDerWaalsContact O-OG1 3.06Å; T83-Y85 HydrophobicContact CG2-CE1 4.3Å; T83-Y85 HydrophobicContact CG2-CE2 3.87Å; T83-Y85 WeakPolarHBondContact O-CD2 3.41Å; T83-Y85 VanDerWaalsContact O-CE2 3.28Å; T83-Y85 WeakPolarHBondContact O-CE2 3.34Å
84L98.4Very high96.3Very high0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-90.1148176.8-171.966.6000110.7I10 L17 L19 F21 I50 N51 I52 S53 L70I10-L84 HydrophobicContact CD1-CD1 4.49Å; L17-L84 HydrophobicContact CD1-CD1 3.76Å; L19-L84 HydrophobicContact CD1-CD2 3.65Å; L19-L84 HydrophobicContact CD2-CD1 4.43Å; L19-L84 HydrophobicContact CD2-CD2 4.22Å; L19-L84 HydrophobicContact CG-CD2 4.42Å; F21-L84 HydrophobicContact CE1-CD2 4.3Å; I50-L84 HydrophobicContact CD1-CB 4.49Å; N51-L84 PolarHBondContact O-N 2.74Å; I52-L84 CarbonylContact C-O 3.6Å; I52-L84 WeakPolarHBondContact CA-O 3.48Å; I52-L84 HydrophobicContact CB-CB 4.08Å; I52-L84 HydrophobicContact CB-CD2 4.45Å; I52-L84 HydrophobicContact CD1-CD2 4.08Å; I52-L84 HydrophobicContact CD1-CG 4.3Å; I52-L84 HydrophobicContact CG1-CB 4.05Å; I52-L84 HydrophobicContact CG1-CD2 4.3Å; I52-L84 HydrophobicContact CG1-CG 4.2Å; I52-L84 WeakPolarHBondContact CG1-O 3.39Å; S53-L84 PolarHBondContact N-O 3.11Å; L70-L84 HydrophobicContact CD2-CD1 3.89Å; L70-L84 HydrophobicContact CD2-CD2 3.52Å; L70-L84 HydrophobicContact CD2-CG 3.66Å
85Y98.4Very high96.3Very high26 Ų2658.1 Ų58.110%0.10230%0.303CS..EExtended strand (participates in β ladder)trans-142.6154.2-179.3-61-89.1000110.5G73 Y74 F78 T83G73-Y85 CarbonylContact C-O 3.6Å; G73-Y85 WeakPolarHBondContact CA-O 3.44Å; Y74-Y85 HydrophobicContact CD2-CD2 4.07Å; Y74-Y85 HydrophobicContact CD2-CG 4.45Å; Y74-Y85 HydrophobicContact CE1-CG 4.16Å; Y74-Y85 AromaticContact CE2-CD2 3.54Å; Y74-Y85 HydrophobicContact CE2-CD2 3.54Å; Y74-Y85 HydrophobicContact CE2-CE2 4.38Å; Y74-Y85 AromaticContact CE2-CG 3.73Å; Y74-Y85 HydrophobicContact CE2-CG 3.73Å; Y74-Y85 AromaticContact CZ-CD2 3.9Å; Y74-Y85 AromaticContact CZ-CG 3.56Å; Y74-Y85 PolarHBondContact N-O 2.91Å; Y74-Y85 PolarHBondContact O-N 2.77Å; Y74-Y85 WeakPolarHBondContact OH-CB 3.4Å; F78-Y85 WeakPolarHBondContact CB-OH 3.33Å; T83-Y85 HydrophobicContact CG2-CE1 4.3Å; T83-Y85 HydrophobicContact CG2-CE2 3.87Å; T83-Y85 WeakPolarHBondContact O-CD2 3.41Å; T83-Y85 VanDerWaalsContact O-CE2 3.28Å; T83-Y85 WeakPolarHBondContact O-CE2 3.34Å
86T97.9Very high96.3Very high50 Ų5059.2 Ų59.231%0.30731%0.314SS..EExtended strand (participates in β ladder)trans-77.6123.2169.9-49.40000109.8L70 Y74L70-T86 HydrophobicContact CD1-CG2 4.14Å; Y74-T86 WeakPolarHBondContact CE1-O 3.34Å
87G96.4Very high96.2Very high16 Ų1662.4 Ų62.417%0.16532%0.324CS..EExtended strand (participates in β ladder)trans-83.1175.8179.400000113.6K72 G89 G90K72-G87 WeakPolarHBondContact O-CA 3.38Å; K72-G87 PolarHBondContact O-N 2.92Å; K72-G87 VanDerWaalsContact O-N 3.08Å; G87-G89 PolarHBondContact O-N 3.32Å; G87-G90 PolarHBondContact O-N 3.43Å
88R95.6Very high95.8Very high249 Ų24969.8 Ų69.894%0.9436%0.355SS*.EExtended strand (participates in β ladder)trans-63.3123179.9-171.5-174.2-60.3152.11.4110.8G90R88-G90 PolarHBondContact O-N 2.68Å
89G95.4Very high95.8Very high58 Ų5870 Ų7060%0.59837%0.368SS*.EExtended strand (participates in β ladder)trans67.618-177.200000113.6K72 G87K72-G89 WeakPolarHBondContact CD-O 3.37Å; K72-G89 PolarHBondContact NZ-O 3.44Å; G87-G89 PolarHBondContact O-N 3.32Å
90G96.6Very high96.1Very high19 Ų1963.7 Ų63.720%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-95.6169.616400000111.1T71 G87 R88T71-G90 WeakPolarHBondContact O-CA 3.41Å; G87-G90 PolarHBondContact O-N 3.43Å; R88-G90 PolarHBondContact O-N 2.68Å
91D96.7Very high96.3Very high77 Ų7768.6 Ų68.641%0.41237%0.368SS..EExtended strand (participates in β ladder)trans-148.3165.1-176.763.4-2.3000112.3L70 T71L70-D91 WeakPolarHBondContact CA-O 3.4Å; L70-D91 WeakPolarHBondContact CD1-O 3.41Å; T71-D91 WeakPolarHBondContact CB-OD1 2.86Å; T71-D91 WeakPolarHBondContact CG2-OD1 3.41Å; T71-D91 PolarHBondContact N-O 3.35Å; T71-D91 PolarHBondContact O-N 3.44Å; T71-D91 PolarHBondContact OG1-N 3.28Å; T71-D91 PolarHBondContact OG1-OD1 3.36Å
92L97.7Very high96.4Very high34 Ų3472.3 Ų72.318%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-115.3118.2169.9-69.6172.9000107.7F21 I52 V54 V58 I62 I68 L70F21-L92 HydrophobicContact CZ-CD2 4.08Å; I52-L92 HydrophobicContact CD1-CD1 4.36Å; I52-L92 HydrophobicContact CD1-CD2 3.97Å; V54-L92 HydrophobicContact CG1-CD1 3.78Å; V54-L92 HydrophobicContact CG2-CD1 3.96Å; V58-L92 HydrophobicContact CG1-CB 4.28Å; V58-L92 HydrophobicContact CG1-CD1 4.02Å; I62-L92 HydrophobicContact CD1-CD1 4.21Å; I68-L92 HydrophobicContact CG2-CB 3.98Å; I68-L92 HydrophobicContact CG2-CD2 3.78Å; I68-L92 HydrophobicContact CG2-CG 4.46Å; L70-L92 HydrophobicContact CB-CD2 3.78Å; L70-L92 HydrophobicContact CD1-CD2 3.64Å; L70-L92 HydrophobicContact CD1-CG 4.33Å; L70-L92 HydrophobicContact CG-CD2 4.19Å
93Q97.8Very high96.5Very high104 Ų10474.3 Ų74.349%0.48639%0.393SS..EExtended strand (participates in β ladder)trans-117.7117.9-179.5-171-178.42000109.8I68 R69 I95I68-Q93 CarbonylContact C-O 3.55Å; I68-Q93 WeakPolarHBondContact CA-O 3.49Å; R69-Q93 PolarHBondContact N-O 3.48Å; R69-Q93 PolarHBondContact O-N 3.2Å; Q93-I95 HydrophobicContact CB-CG2 4.5Å; Q93-I95 HydrophobicContact CG-CG2 4.14Å; Q93-I95 PolarHBondContact O-N 2.86Å
94K97.8Very high96.5Very high107 Ų10778.1 Ų78.147%0.46541%0.41SS..EExtended strand (participates in β ladder)trans-66.3123.2167.3-179.4172.8174165.40108.6D66 G96 E97D66-K94 HydrophobicContact CB-CD 4.46Å; D66-K94 WeakPolarHBondContact OD1-CE 3.37Å; D66-K94 IonicContact OD1-NZ 3.41Å; D66-K94 PolarHBondContact OD1-NZ 3.09Å; K94-G96 WeakPolarHBondContact CE-O 3.31Å; K94-E97 IonicContact NZ-OE2 4Å; K94-E97 PolarHBondContact NZ-OE2 3.37Å
95I97.8Very high96.5Very high75 Ų7583.5 Ų83.539%0.38544%0.443SS..EExtended strand (participates in β ladder)trans-118.9-6.5-179.160.8165.3000113I20 I67 R69 Q93I20-I95 HydrophobicContact CD1-CD1 3.89Å; I20-I95 HydrophobicContact CG1-CD1 4.18Å; I20-I95 HydrophobicContact CG2-CD1 3.93Å; I67-I95 HydrophobicContact CB-CG1 4.36Å; I67-I95 HydrophobicContact CG2-CD1 4.07Å; I67-I95 HydrophobicContact CG2-CG1 3.81Å; I67-I95 WeakPolarHBondContact O-CG1 3.45Å; I67-I95 PolarHBondContact O-N 2.9Å; R69-I95 HydrophobicContact CB-CD1 4.3Å; R69-I95 HydrophobicContact CB-CG2 4.12Å; Q93-I95 HydrophobicContact CB-CG2 4.5Å; Q93-I95 HydrophobicContact CG-CG2 4.14Å; Q93-I95 PolarHBondContact O-N 2.86Å
96G97.2Very high96.4Very high25 Ų2585.5 Ų85.526%0.25846%0.459SS..EExtended strand (participates in β ladder)trans177.2-168.6177.800000112I67 K94I67-G96 PolarHBondContact N-O 2.56Å; I67-G96 PolarHBondContact O-N 2.78Å; K94-G96 WeakPolarHBondContact CE-O 3.31Å
97E96.4Very high96.4Very high120 Ų12085.1 Ų85.156%0.56146%0.455SS*.EExtended strand (participates in β ladder)trans-154.5156175.361.1-166-169.800111.6G65 K94 C99G65-E97 CarbonylContact O-C 3.58Å; G65-E97 WeakPolarHBondContact O-CA 3.13Å; K94-E97 IonicContact NZ-OE2 4Å; K94-E97 PolarHBondContact NZ-OE2 3.37Å; E97-C99 PolarHBondContact O-N 2.8Å
98F85.9Confident96.5Very high172 Ų17286.5 Ų86.575%0.75446%0.457SS*.SBendtrans65.6-41.8168.9-163.6-101.3000118.1G65 M100G65-F98 PolarHBondContact O-N 3.38Å; F98-M100 PolarHBondContact O-N 3.08Å
99C92.6Very high96.6Very high112 Ų11274.8 Ų74.876%0.75741%0.413SS*.  trans-88.611.4-164.9-640000115.7E97E97-C99 PolarHBondContact O-N 2.8Å
100M96Very high96.5Very high43 Ų4377.9 Ų77.921%0.21241%0.412CS..  trans-89.3126.5179-177.6170.7179.600110.8I20 I22 D45 I67 F98 Y102I20-M100 HydrophobicContact CG2-CE 4.12Å; I20-M100 HydrophobicContact CG2-SD 3.94Å; I20-M100 WeakPolarHBondContact O-CE 3.21Å; I22-M100 HydrophobicContact CB-CB 4.17Å; I22-M100 HydrophobicContact CB-CG 4.43Å; I22-M100 HydrophobicContact CB-SD 4.19Å; I22-M100 HydrophobicContact CD1-CB 4.29Å; D45-M100 HydrophobicContact CB-CE 3.99Å; I67-M100 HydrophobicContact CD1-CB 3.7Å; I67-M100 HydrophobicContact CG1-CB 3.85Å; I67-M100 HydrophobicContact CG2-SD 3.9Å; F98-M100 PolarHBondContact O-N 3.08Å; M100-Y102 WeakPolarHBondContact O-CD1 3.41Å
101V97Very high96.3Very high122 Ų12281.8 Ų81.874%0.73943%0.434SS*.  trans-72.6131.8172.7-178.70000109.7
102Y98.4Very high95.6Very high103 Ų10380.1 Ų80.140%0.40443%0.425SS..  trans-139.2164.2-178.866.7-89.5000112.5I22 L24 A44 D45 M100 E104I22-Y102 HydrophobicContact CD1-CD1 4.42Å; I22-Y102 HydrophobicContact CG2-CD1 3.57Å; I22-Y102 HydrophobicContact CG2-CE1 4.36Å; I22-Y102 HydrophobicContact CG2-CG 3.75Å; L24-Y102 HydrophobicContact CD1-CD2 4.19Å; L24-Y102 HydrophobicContact CD1-CE2 4.11Å; L24-Y102 HydrophobicContact CD2-CD1 4.21Å; L24-Y102 HydrophobicContact CD2-CD2 3.68Å; L24-Y102 HydrophobicContact CD2-CE1 3.98Å; L24-Y102 HydrophobicContact CD2-CE2 3.42Å; L24-Y102 VanDerWaalsContact CD2-CE2 3.42Å; L24-Y102 HydrophobicContact CD2-CG 4.07Å; L24-Y102 HydrophobicContact CG-CE2 4.43Å; A44-Y102 HydrophobicContact CB-CD2 4.09Å; A44-Y102 HydrophobicContact CB-CG 4.32Å; D45-Y102 CarbonylContact O-C 3.57Å; D45-Y102 WeakPolarHBondContact O-CA 3.13Å; M100-Y102 WeakPolarHBondContact O-CD1 3.41Å; Y102-E104 HydrophobicContact CD2-CG 4.16Å; Y102-E104 HydrophobicContact CE2-CG 3.8Å
103S98.3Very high94.8Very high43 Ų4383.2 Ų83.230%0.30145%0.447SS..  trans-122.5132.2166.9-175.80000109D45 G48 V105D45-S103 PolarHBondContact O-N 2.91Å; G48-S103 CarbonylContact C-O 3.49Å; G48-S103 WeakPolarHBondContact CA-O 3.38Å; S103-V105 VanDerWaalsContact C-N 3.3Å; S103-V105 PolarHBondContact OG-N 3.15Å; S103-V105 PolarHBondContact OG-O 3.24Å
104E98.2Very high94.1Very high86 Ų8684.5 Ų84.540%0.40245%0.453SS..  trans-77.2-20.2172.6-61.8-162.6-142.300112.9L24 K42 S49 Y102 P106L24-E104 HydrophobicContact CD1-CG 3.79Å; K42-E104 IonicContact NZ-OE2 3.2Å; K42-E104 PolarHBondContact NZ-OE2 3.1Å; S49-E104 PolarHBondContact OG-O 2.84Å; Y102-E104 HydrophobicContact CD2-CG 4.16Å; Y102-E104 HydrophobicContact CE2-CG 3.8Å; E104-P106 CarbonylContact O-C 3.57Å
105V98Very high93.1Very high113 Ų11381.2 Ų81.269%0.68544%0.438SS*.  trans-118.2137.2-172.9-178.10000109.8S103S103-V105 VanDerWaalsContact C-N 3.3Å; S103-V105 PolarHBondContact OG-N 3.15Å; S103-V105 PolarHBondContact OG-O 3.24Å
106P97.6Very high91.6Very high67 Ų6781.3 Ų81.344%0.43545%0.445SS..SBendcis-72.9152.5-4.631.7-35.3000112.6G48 S49 E104 F108G48-P106 WeakPolarHBondContact CA-O 3.33Å; S49-P106 PolarHBondContact N-O 2.79Å; E104-P106 CarbonylContact O-C 3.57Å; P106-F108 HydrophobicContact CG-CD2 4.41Å; P106-F108 HydrophobicContact CG-CE1 4.2Å; P106-F108 HydrophobicContact CG-CE2 3.65Å; P106-F108 HydrophobicContact CG-CZ 3.49Å; P106-F108 VanDerWaalsContact CG-CZ 3.49Å
107N98.1Very high90.1Very high43 Ų4385.2 Ų85.223%0.2346%0.464CS..BIsolated β-bridgetrans-89.3105.3170.11778.4000109.5S49 S109 E110S49-N107 WeakPolarHBondContact OG-CA 3.47Å; S49-N107 WeakPolarHBondContact OG-CB 3.43Å; S49-N107 PolarHBondContact OG-OD1 2.86Å; N107-S109 PolarHBondContact O-N 3.28Å; N107-S109 PolarHBondContact OD1-N 3Å; N107-E110 HydrophobicContact CB-CG 3.95Å; N107-E110 WeakPolarHBondContact O-CG 3.43Å; N107-E110 PolarHBondContact O-N 2.93Å
108F97.3Very high88.3Confident45 Ų4586.3 Ų86.320%0.19747%0.47CS..THydrogen-bonded Turntrans-70.9-10.8-177.2-69-83.4000113.7V7 K8 S49 I50 L82 P106V7-F108 HydrophobicContact CG1-CD2 3.55Å; V7-F108 HydrophobicContact CG1-CE2 3.99Å; V7-F108 HydrophobicContact CG1-CG 4.43Å; K8-F108 HydrophobicContact CB-CE1 4.4Å; K8-F108 HydrophobicContact CB-CE2 4Å; K8-F108 HydrophobicContact CB-CZ 3.55Å; S49-F108 WeakPolarHBondContact O-CD2 3.28Å; S49-F108 PolarHBondContact O-N 2.93Å; I50-F108 HydrophobicContact CG1-CB 4.46Å; L82-F108 WeakPolarHBondContact CB-O 3.43Å; L82-F108 HydrophobicContact CD2-CB 4.39Å; P106-F108 HydrophobicContact CG-CD2 4.41Å; P106-F108 HydrophobicContact CG-CE1 4.2Å; P106-F108 HydrophobicContact CG-CE2 3.65Å; P106-F108 HydrophobicContact CG-CZ 3.49Å; P106-F108 VanDerWaalsContact CG-CZ 3.49Å
109S97.3Very high86.9Confident3 Ų384.5 Ų84.52%0.02146%0.463CS..THydrogen-bonded Turntrans-95.75.2176.9-61.50000113.9I50 N51 C81 L82 N107I50-S109 WeakPolarHBondContact CG1-OG 3.47Å; N51-S109 WeakPolarHBondContact CB-OG 3.35Å; N51-S109 PolarHBondContact N-OG 2.81Å; N51-S109 WeakPolarHBondContact ND2-CB 3.46Å; C81-S109 VanDerWaalsContact CB-O 3.25Å; C81-S109 WeakPolarHBondContact CB-O 3.49Å; C81-S109 PolarHBondContact SG-O 2.85Å; L82-S109 WeakPolarHBondContact O-CB 3.34Å; L82-S109 PolarHBondContact O-OG 2.86Å; N107-S109 PolarHBondContact O-N 3.28Å; N107-S109 PolarHBondContact OD1-N 3Å
110E94.8Very high84.5Confident123 Ų12384.3 Ų84.358%0.57546%0.459SS*.SBendtrans-56.4138.4169.1-73.8-177.3-176.400110.3N107 N112N107-E110 HydrophobicContact CB-CG 3.95Å; N107-E110 WeakPolarHBondContact O-CG 3.43Å; N107-E110 PolarHBondContact O-N 2.93Å; E110-N112 PolarHBondContact O-N 3.47Å; E110-N112 VanDerWaalsContact O-N 3.1Å
111P90.9Very high82.4Confident100 Ų10087.8 Ų87.865%0.64948%0.484SS*.  trans-56118.4178.1-24.233000111G80G80-P111 WeakPolarHBondContact O-CA 3.23Å
112N83.1Confident80Confident43 Ų4390.4 Ų90.423%0.2349%0.494CS..  trans-110121.1175.7-178.4-9.2000110G80 E110 E114 Y115G80-N112 PolarHBondContact O-N 3.42Å; G80-N112 VanDerWaalsContact O-N 3.16Å; E110-N112 PolarHBondContact O-N 3.47Å; E110-N112 VanDerWaalsContact O-N 3.1Å; N112-E114 PolarHBondContact ND2-OE2 3.45Å; N112-E114 PolarHBondContact O-N 3.2Å; N112-E114 WeakPolarHBondContact OD1-CB 3.37Å; N112-E114 WeakPolarHBondContact OD1-CG 3.37Å; N112-E114 PolarHBondContact OD1-N 3.04Å; N112-Y115 HydrophobicContact CB-CD2 3.59Å; N112-Y115 HydrophobicContact CB-CE2 3.64Å; N112-Y115 HydrophobicContact CB-CG 4.39Å; N112-Y115 PolarHBondContact O-N 3.15Å
113P81.3Confident77.5Confident99 Ų9994.6 Ų94.664%0.64352%0.515SS*.Hα-helixtrans-59.7-24.7177.723-33000114Y115 S116P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.35Å; P113-S116 WeakPolarHBondContact O-CB 3.02Å; P113-S116 PolarHBondContact O-N 2.89Å; P113-S116 PolarHBondContact O-OG 3.29Å
114E81.9Confident74.7Confident130 Ų13097.4 Ų97.461%0.60754%0.541SS*.Hα-helixtrans-64.4-30.4177.7-63.5-174.7117.700113N112 S116 T117N112-E114 PolarHBondContact ND2-OE2 3.45Å; N112-E114 PolarHBondContact O-N 3.2Å; N112-E114 WeakPolarHBondContact OD1-CB 3.37Å; N112-E114 WeakPolarHBondContact OD1-CG 3.37Å; N112-E114 PolarHBondContact OD1-N 3.04Å; E114-S116 VanDerWaalsContact C-N 3.29Å; E114-S116 PolarHBondContact O-N 3.27Å; E114-T117 PolarHBondContact O-N 3.27Å
115Y77.6Confident72.1Confident38 Ų3899.4 Ų99.415%0.14956%0.559CS.*Hα-helixtrans-73.7-22.2179.9-62.2-41.8000113.4P12 V77 L82 N112 P113 T117P12-Y115 HydrophobicContact CG-CD1 3.67Å; P12-Y115 HydrophobicContact CG-CE1 3.3Å; V77-Y115 HydrophobicContact CG1-CD2 4.32Å; V77-Y115 HydrophobicContact CG1-CG 4.28Å; V77-Y115 HydrophobicContact CG2-CD1 4Å; V77-Y115 HydrophobicContact CG2-CD2 3.84Å; V77-Y115 HydrophobicContact CG2-CE2 4.45Å; V77-Y115 HydrophobicContact CG2-CG 3.61Å; L82-Y115 HydrophobicContact CB-CE2 4.29Å; N112-Y115 HydrophobicContact CB-CD2 3.59Å; N112-Y115 HydrophobicContact CB-CE2 3.64Å; N112-Y115 HydrophobicContact CB-CG 4.39Å; N112-Y115 PolarHBondContact O-N 3.15Å; P113-Y115 VanDerWaalsContact C-N 3.27Å; P113-Y115 PolarHBondContact O-N 3.35Å; Y115-T117 VanDerWaalsContact C-N 3.28Å; Y115-T117 PolarHBondContact O-N 3.03Å
116S65.9Low69.7Low77 Ų77102.5 Ų102.554%0.53857%0.565SS.*Hα-helixtrans-64-35.4174.1-14.50000111.8P113 E114P113-S116 WeakPolarHBondContact O-CB 3.02Å; P113-S116 PolarHBondContact O-N 2.89Å; P113-S116 PolarHBondContact O-OG 3.29Å; E114-S116 VanDerWaalsContact C-N 3.29Å; E114-S116 PolarHBondContact O-N 3.27Å
117T64.6Low66.9Low108 Ų108106.8 Ų106.866%0.66359%0.585SS**Hα-helixtrans-82.2-21.6-173.8-51.40000112.8E114 Y115 T120E114-T117 PolarHBondContact O-N 3.27Å; Y115-T117 VanDerWaalsContact C-N 3.28Å; Y115-T117 PolarHBondContact O-N 3.03Å; T117-T120 PolarHBondContact O-OG1 2.49Å
118Q59.2Low64.2Low143 Ų143111.3 Ų111.367%0.66861%0.609SS**THydrogen-bonded Turntrans-85.9-1.9-179.6-68.1177.93.300114T120Q118-T120 VanDerWaalsContact C-N 3.35Å
119Q56.4Low61.7Low133 Ų133114.3 Ų114.362%0.62164%0.635SS**THydrogen-bonded Turntrans-83.8-0.6178.4-82.7-176.66.800114.7
120T43Very low58.7Low109 Ų109121.7 Ų121.767%0.66968%0.675SS**SBendtrans-73124.1165.819.10000109.7T117 Q118 N122T117-T120 PolarHBondContact O-OG1 2.49Å; Q118-T120 VanDerWaalsContact C-N 3.35Å; T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 VanDerWaalsContact O-N 3.11Å
121P50.8Low56.9Low115 Ų115121 Ų12175%0.74768%0.681SS**  trans-69.9114.2-179.826.9-30.3000109.2K123P121-K123 VanDerWaalsContact C-N 3.28Å; P121-K123 PolarHBondContact O-N 2.86Å
122N47.1Very low54.1Low177 Ų177121.7 Ų121.795%0.94769%0.688SS**  trans-61.795.2159.9-96.3-3.8000108.4T120T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 VanDerWaalsContact O-N 3.11Å
123K45.4Very low52.1Low191 Ų191123.9 Ų123.983%0.8371%0.712SS**  trans-120.485163.5-159.1-177.5-174-1720108.1P121P121-K123 VanDerWaalsContact C-N 3.28Å; P121-K123 PolarHBondContact O-N 2.86Å
124A39.3Very low50Low103 Ų103125.1 Ų125.185%0.85172%0.723SS**  trans-143.4109.6153.800000107.5
125V45.3Very low48Very low128 Ų128127.7 Ų127.778%0.77674%0.735SS**  trans-83.4124.6-177.8178.40000108.1
126Q47.8Very low46.7Very low177 Ų177130.4 Ų130.483%0.82776%0.757SS**  trans0.7124.4140.9-165.1165.1-0.200116.6
127N37.8Very low45.3Very low157 Ų157132.2 Ų132.284%0.8477%0.766SS**  trans-134105.2152.4-165.137.7000110.1
128D41.2Very low43.9Very low139 Ų139133.5 Ų133.574%0.74377%0.774SS**  trans36.5146.3144-117.6-81000124.1
129S44.2Very low42.7Very low107 Ų107130.3 Ų130.375%0.74878%0.779SS**  trans-109.5136.8-172.1-47.10000110.2
130N36.3Very low42.7Very low159 Ų159129.9 Ų129.985%0.8579%0.788SS**  trans-166.5144.5138.6-146.127.3000113.2
131P55.6Low42.6Very low107 Ų107130.3 Ų130.370%0.69580%0.795SS**  trans-102.7154.217535.9-23.9000113
132S33.1Very low41.9Very low115 Ų115129.3 Ų129.380%0.80480%0.796SS**  trans154.8118.8134.8-170.80000114.2
133A39.7Very low41.5Very low89 Ų89125.6 Ų125.674%0.73679%0.791SS**  trans45.9123.2140.300000123.6
134S38.9Very low41.2Very low126 Ų126121.9 Ų121.988%0.88179%0.789SS**  -166.8125.1123.419.60000112.1
135Q39.6Very low41.8Very low183 Ų183122.9 Ų122.986%0.85579%0.786SS**  trans-83.9-179165-124.6-166-36.100109.2
136P49.1Very low41.5Very low95 Ų95121.4 Ų121.462%0.61779%0.787SS**  cis-148.4-179.721.341.2-18.3000119.6
137T37.3Very low41.1Very low116 Ų116117.9 Ų117.971%0.71278%0.783SS**  trans72.2143.7152.161.60000120.4
138T34.5Very low41Very low135 Ų135119.4 Ų119.483%0.82879%0.785SS**  cis-172.4145.14.526.80000110.4
139G34.8Very low40.8Very low76 Ų76116.6 Ų116.678%0.78478%0.776SS**  trans111.4148.7144.100000119.8
140P56.5Low40.6Very low123 Ų123119.9 Ų119.980%0.79978%0.78SS**  trans-132.1-177.1-134.539.6-21.6000117.9
141S39.7Very low40.6Very low118 Ų118120.1 Ų120.183%0.82578%0.781SS**  trans104.8142.2158.9-51.80000115.9
142A37.6Very low39.8Very low94 Ų94118.2 Ų118.278%0.77778%0.78SS**  cis-169158.4-4.400000110.5
143A37.8Very low40.3Very low100 Ų100120.7 Ų120.783%0.82679%0.785SS**  trans61.7115.5144.500000123
144S39.9Very low40Very low113 Ų113119.3 Ų119.379%0.7978%0.779SS**  trans-57.5175.6146.9-41.70000111.3
145P52.4Low40.1Very low123 Ų123121 Ų12180%0.79978%0.777SS**  cis-152.4-171.93239.7-14.9000117.9
146A37.2Very low40.3Very low97 Ų97118.3 Ų118.380%0.80278%0.779SS**  trans108.8127138.800000119.1
147S40.9Very low40Very low104 Ų104118.2 Ų118.273%0.72779%0.787SS**  trans-85.2-175.9178.544.80000113.1
148E35.2Very low40.8Very low188 Ų188118.1 Ų118.188%0.87979%0.788SS**  trans98.9140.2171.4-65.9-177.687.300114.4
149S37.2Very low41Very low81 Ų81118.5 Ų118.557%0.56679%0.79SS**  cis-176.3147.8-11.7-178.90000106.2
150Q39.8Very low41.1Very low176 Ų176118.4 Ų118.482%0.82279%0.789SS**  trans64.5144.6144.4-80.6173.819.400124.6
151N36.3Very low41Very low164 Ų164119.3 Ų119.388%0.87780%0.795SS**  trans81.6139148-120.43.4000117.2
152G38.1Very low40.9Very low66 Ų66117.6 Ų117.668%0.6880%0.796SS**  cis-178.4174.511.800000111.8
153N42.8Very low40.8Very low167 Ų167117.3 Ų117.389%0.89380%0.802SS**  trans-64155.7-172.2-159.342.2000115.6
154G34.3Very low40.7Very low61 Ų61116.6 Ų116.663%0.62980%0.804SS**  trans161.491.1158.600000119.5
155L42Very low40.9Very low160 Ų160116.2 Ų116.284%0.83880%0.802SS**  trans32.9130.6130.5-67143.4000120.8
156S43.4Very low40.7Very low127 Ų127119.5 Ų119.589%0.88881%0.806SS**  174.2125.6121.8-71.80000112.9
157A42.2Very low42.1Very low94 Ų94119.6 Ų119.678%0.77780%0.798SS**  trans-102.6161150.500000107.7
158P54.7Low43Very low114 Ų114120.4 Ų120.474%0.7480%0.801SS**  -157.7160.589.740.5-19.8000118.3
159T38.8Very low43.5Very low143 Ų143120.4 Ų120.488%0.87780%0.801SS**  trans42.2133140.159.80000124.6
160G37.1Very low44.5Very low74 Ų74122.5 Ų122.576%0.76381%0.81SS**  trans155.2132.614300000116.9
161P53.8Low45.3Very low142 Ų142119.8 Ų119.892%0.92281%0.808SS**  trans-104.7160-16039.9-32.3000115.6
162G36.9Very low46Very low81 Ų81117 Ų11784%0.83580%0.801SS**  trans-178.4128.617100000113.1
163G35.6Very low46.8Very low89 Ų89122.6 Ų122.692%0.91881%0.809SS**  trans-84.6179.4-164.900000116.9
164G36.7Very low48Very low84 Ų84120.6 Ų120.687%0.86681%0.805SS**  trans164.492.6175.600000112.9
165S42.9Very low48.8Very low106 Ų106123 Ų12374%0.74181%0.81SS**  trans-61.1138.4172.846.10000114.3
166H48.3Very low49Very low192 Ų192120.6 Ų120.689%0.88981%0.806SS**  trans-160.7146.6139.2-91.9-71.2000111.5
167P67.9Low49.1Very low98 Ų98121 Ų12164%0.63680%0.803SS**PPolyproline II helixtrans-98.4170-158.538.3-35.5000115.5
168P58.5Low49.4Very low121 Ų121128 Ų12879%0.78681%0.81SS**PPolyproline II helixtrans-83.8136.9175.632.5-32.2000112.8
169H45.8Very low49.2Very low189 Ų189129.7 Ų129.788%0.87581%0.811SS**PPolyproline II helixtrans-80.4122.3172-77.3-95.8000111.2
170T59.4Low49.3Very low125 Ų125128.5 Ų128.577%0.76780%0.804SS**  trans-125.2143.7157.354.10000108
171P56.3Low49.6Very low119 Ų119136.3 Ų136.377%0.77381%0.81SS**  trans-116106.9153.212.17.7000108.5
172S50.3Low49.4Very low104 Ų104135 Ų13573%0.72780%0.804SS**  63.198.283.269.40000114.6
173H54.8Low50.1Low185 Ų185139.5 Ų139.586%0.85680%0.804SS**PPolyproline II helixtrans-68146.7160.4-69-90.1000110.6
174P67.3Low51.1Low124 Ų124140.8 Ų140.881%0.80580%0.796SS**PPolyproline II helixtrans-83.8142.9160.931.1-29.5000111.5
175P53.1Low51.3Low113 Ų113143 Ų14373%0.73479%0.788SS**PPolyproline II helixtrans-96.6161.517837.2-32.1000113.3
176S45.4Very low51.7Low108 Ų108146.7 Ų146.776%0.75579%0.793SS**  trans70.4123150.4-64.50000119.3
177T45.4Very low52.1Low135 Ų135142.9 Ų142.983%0.82878%0.783SS**  -167.2117.5103.826.90000111
178R47.6Very low51.2Low242 Ų242144.4 Ų144.491%0.91379%0.793SS**  trans-75116.6160161.5-162.8-85.4-126.7-3.7107.4
179I50.7Low51Low150 Ų150143.4 Ų143.477%0.76980%0.795SS**  trans-143.6147.1154.5-63.4-172.3000110.7
180T42.6Very low51.1Low117 Ų117137.6 Ų137.672%0.71879%0.786SS**  trans-59.8149.8-169.255.10000119.1
181R42.9Very low51.3Low239 Ų239137.6 Ų137.690%0.90279%0.789SS**  45109.9127.8-171.2-174.8-71.4-158.7-1.9118.3
182S48.2Very low51.6Low113 Ų113137.9 Ų137.979%0.7979%0.79SS**  trans-163109.3131.353.20000111.3
183Q51.8Low51.6Low177 Ų177136.3 Ų136.383%0.82779%0.791SS**  trans-63.5159.9155.1-81.1-178.6-31.400109.8
184P57.9Low51.7Low116 Ų116134 Ų13475%0.75379%0.792SS**  -127125.2122.522.1-5.8000112.6
185N40Very low50.9Low131 Ų131133.9 Ų133.970%0.70179%0.794SS**  trans-16.7115.4152.6-139.945.9000116
186H51.5Low50.8Low183 Ų183134 Ų13485%0.84780%0.798SS**  trans-120.3117.8150.5-80.3-77.2000108.7
187T57.3Low50.8Low111 Ų111136.2 Ų136.268%0.68180%0.801SS**PPolyproline II helixtrans-63.7143.6179.544.70000112.5
188P48.4Very low51.3Low130 Ų130135.7 Ų135.784%0.84480%0.8SS**PPolyproline II helixtrans-85.1119169.632.2-26.9000109.7
189A54.2Low51.5Low100 Ų100130.5 Ų130.583%0.82680%0.795SS**PPolyproline II helixtrans-98.5121.2164.100000108.3
190G47.6Very low51.7Low67 Ų67129.4 Ų129.469%0.69180%0.8SS**  trans-69.9176.4179.400000114.1
191P64.5Low51.7Low126 Ų126131.2 Ų131.282%0.81881%0.805SS**  trans-89.3152-169.535.9-32.2000111.9
192P62.7Low51.6Low125 Ų125123.1 Ų123.181%0.81280%0.797SS**  trans-99.1140.915130.3-19.1000110.5
193G50.7Low51.7Low71 Ų71127.6 Ų127.673%0.73280%0.802SS**  trans-73.7-163-173.100000116.4
194P55Low51.7Low137 Ų137127.1 Ų127.189%0.8980%0.8SS**  trans-86.8138.9-154.534.2-33.2000112.6
195S50.5Low51.6Low120 Ų120128.2 Ų128.284%0.83980%0.804SS**  trans-107.3125.7167.662.40000111
196S51.5Low52.3Low116 Ų116131.5 Ų131.581%0.81181%0.807SS**  trans-62.7144.7177.146.50000115.6
197N46.4Very low52.7Low155 Ų155134.9 Ų134.983%0.82981%0.812SS**  trans-41.8156.5161-82-10.2000114.8
198P55.7Low52.5Low123 Ų123134.7 Ų134.780%0.79982%0.816SS**  -146.1160.579.134.9-13.7000118.8
199V51Low52.6Low133 Ų133134.1 Ų134.181%0.80681%0.814SS**  trans-23.1140.2161.4-172.90000117.2
200S54.8Low52.9Low127 Ų127139.3 Ų139.389%0.88882%0.818SS**  trans-144144.5143.4-173.40000111.8
201N42.1Very low53.1Low155 Ų155151 Ų15183%0.82984%0.841SS**  trans-106.7146.7-158-162.743.1000110.5
202G42.1Very low52.6Low70 Ų70152.2 Ų152.272%0.72284%0.843SS**  trans92.6117.4145.100000118.9
203K50.8Low52.1Low207 Ų207153.6 Ų153.690%0.984%0.844SS**  -164.2112107.1-152.3167.6-178.5174.90111.2
204E51.5Low52.1Low167 Ų167158.2 Ų158.278%0.7885%0.85SS**  trans-56.4148.4161.7-86.9174.976.100111.5
205T54.5Low52Low138 Ų138159.5 Ų159.585%0.84785%0.848SS**  trans-145110.8133-47.90000110.5
206R55.4Low52Low200 Ų200161.9 Ų161.976%0.75585%0.849SS**  trans-33.4145.8159.9-80.3172.4150.5-169.1-4.9114.3
207R59.6Low52.1Low255 Ų255165 Ų16596%0.96285%0.851SS**  -159.4128.4112.4-106.9170.1-171.6-172.62.6112.3
208S54.1Low52.5Low107 Ų107165.7 Ų165.775%0.74885%0.853SS**  trans-80.8153.9-171.3-55.60000113.9
209S50.8Low52.2Low117 Ų117169 Ų16982%0.81886%0.857SS**  trans-70.1137.4158.6-41.70000112.3
210K59.7Low52.3Low209 Ų209172 Ų17291%0.90986%0.861SS**  trans175.6131.8144-109.4171.9174.9171.60105.1
211R52.6Low52.1Low312 Ų312176.1 Ų176.1100%1.17786%0.859SS**  -168.3053.3-178.4178171.1-165.8-2.8108.7

Retrieved 211 of 211 residues in 194.4 ms (Link to these results)

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