A0A096N0Z8_PAPAN Loading...

Nicotinamide-nucleotide adenylyltransferase

Catalyzes the formation of NAD(+) from nicotinamide mononucleotide (NMN) and ATP. Can also use the deamidated form; nicotinic acid mononucleotide (NaMN) as substrate with the same efficiency. Can use triazofurin monophosphate (TrMP) as substrate. Can also use GTP and ITP as nucleotide donors. Also catalyzes the reverse reaction, i.e. the pyrophosphorolytic cleavage of NAD(+). For the pyrophosphorolytic activity, can use NAD(+), NADH, NaAD, nicotinic acid adenine dinucleotide phosphate (NHD), nicotinamide guanine dinucleotide (NGD) as substrates. Fails to cleave phosphorylated dinucleotides NADP(+), NADPH and NaADP(+). Protects against axonal degeneration following injury. May be involved in the maintenance of axonal integrity. Also functions as a stress-response chaperone protein that prevents toxic aggregation of proteins; this function may be independent of its NAD(+) synthesis activity.

AlphaFold DB , UniProt , Accession A0A096N0Z8, Species PAPAN (Papio anubis, Olive baboon), Gene NMNAT3, Length 252 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
1M51.2Low88.5Confident243 Ų24369.1 Ų69.1100%1.19735%0.345SS*.  0135.70-71.1172.5-172.100107.6S3M1-S3 PolarHBondContact O-N 2.85Å
2K61.3Low89.3Confident203 Ų20365.9 Ų65.988%0.88333%0.334SS*.PPolyproline II helixtrans-66.8131.2173.7-72-176.1178.8-1790108.2R4K2-R4 PolarHBondContact O-N 2.84Å
3S85Confident89.9Confident122 Ų12262.8 Ų62.885%0.85333%0.328SS*.PPolyproline II helixtrans-59.9134.3171.6-174.30000109.1M1M1-S3 PolarHBondContact O-N 2.85Å
4R92.8Very high90.5Very high113 Ų11359.5 Ų59.543%0.42631%0.313SS..PPolyproline II helixtrans-89.7147.7177.1-66.3-176.5-178.2-177.62.7109.6K2 P6 M38 Q40K2-R4 PolarHBondContact O-N 2.84Å; R4-P6 WeakPolarHBondContact O-CD 3.48Å; R4-M38 CarbonylContact C-O 3.58Å; R4-M38 WeakPolarHBondContact CA-O 3.4Å; R4-Q40 HydrophobicContact CB-CB 3.93Å
5I94.5Very high91Very high66 Ų6656 Ų5634%0.33829%0.294SS..EExtended strand (participates in β ladder)trans-75.4119.9177.6-60.8168.6000108.6M38 Y39 Q40 E129I5-M38 PolarHBondContact N-O 3.39Å; I5-Y39 HydrophobicContact CB-CD1 3.78Å; I5-Y39 HydrophobicContact CB-CE1 4.15Å; I5-Y39 HydrophobicContact CD1-CD1 4.42Å; I5-Y39 HydrophobicContact CD1-CE1 4.01Å; I5-Y39 HydrophobicContact CG2-CD1 4.05Å; I5-Y39 HydrophobicContact CG2-CE1 4.21Å; I5-Y39 CarbonylContact O-C 3.53Å; I5-Y39 WeakPolarHBondContact O-CA 3.49Å; I5-Q40 PolarHBondContact O-N 2.97Å; I5-E129 HydrophobicContact CG2-CB 4.45Å; I5-E129 HydrophobicContact CG2-CG 3.82Å
6P96Very high91.4Very high5 Ų552.6 Ų52.63%0.03228%0.276CS..EExtended strand (participates in β ladder)trans-66.5137.1175.120.8-23.7000110.8R4 Q40 I42 A126 P128 E129R4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-Q40 CarbonylContact C-O 3.6Å; P6-Q40 VanDerWaalsContact CA-O 3.29Å; P6-Q40 WeakPolarHBondContact CA-O 3.33Å; P6-I42 HydrophobicContact CB-CD1 3.95Å; P6-I42 HydrophobicContact CB-CG1 4.46Å; P6-I42 HydrophobicContact CB-CG2 4.27Å; P6-A126 WeakPolarHBondContact CG-O 3.43Å; P6-P128 HydrophobicContact CB-CB 4.08Å; P6-P128 HydrophobicContact CB-CG 4.19Å; P6-P128 HydrophobicContact CG-CB 4.36Å; P6-P128 HydrophobicContact CG-CG 4.32Å; P6-P128 CarbonylContact O-C 3.49Å; P6-P128 VanDerWaalsContact O-CA 3.28Å; P6-P128 WeakPolarHBondContact O-CA 3.46Å; P6-E129 PolarHBondContact O-N 3.22Å
7V97.9Very high91.8Very high0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-130.8136.8-178.4179.80000111.7L9 L33 Y39 Q40 V41 I42 E129 K131V7-L9 HydrophobicContact CG1-CD2 4.11Å; V7-L33 HydrophobicContact CB-CD1 4.48Å; V7-L33 HydrophobicContact CG1-CD1 3.96Å; V7-Y39 HydrophobicContact CG2-CD1 3.39Å; V7-Y39 HydrophobicContact CG2-CE1 4.22Å; V7-Y39 HydrophobicContact CG2-CG 3.96Å; V7-Q40 PolarHBondContact N-O 3.11Å; V7-V41 HydrophobicContact CB-CG2 4.38Å; V7-V41 CarbonylContact O-C 3.53Å; V7-V41 VanDerWaalsContact O-CA 3.31Å; V7-V41 WeakPolarHBondContact O-CA 3.43Å; V7-I42 WeakPolarHBondContact O-CG1 3.39Å; V7-I42 PolarHBondContact O-N 3.14Å; V7-E129 CarbonylContact C-O 3.51Å; V7-E129 VanDerWaalsContact CA-O 3.3Å; V7-E129 WeakPolarHBondContact CA-O 3.4Å; V7-E129 HydrophobicContact CG2-CB 4.38Å; V7-K131 HydrophobicContact CG1-CB 4.41Å; V7-K131 HydrophobicContact CG1-CD 4.25Å; V7-K131 HydrophobicContact CG1-CG 4.04Å
8V98.4Very high92.2Very high0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-106.8131.9166.2-179.20000108.9I42 Q43 I45 L104 P128 E129 L130 K131V8-I42 HydrophobicContact CG2-CD1 4.26Å; V8-I42 HydrophobicContact CG2-CG1 4.07Å; V8-Q43 WeakPolarHBondContact CA-O 3.47Å; V8-Q43 HydrophobicContact CG1-CB 4.29Å; V8-Q43 HydrophobicContact CG2-CB 4.28Å; V8-I45 HydrophobicContact CG1-CD1 3.68Å; V8-I45 HydrophobicContact CG1-CG1 4.03Å; V8-L104 HydrophobicContact CB-CD1 4Å; V8-L104 HydrophobicContact CG1-CD1 4.43Å; V8-L104 HydrophobicContact CG2-CD1 3.82Å; V8-L104 HydrophobicContact CG2-CD2 3.81Å; V8-L104 HydrophobicContact CG2-CG 4.49Å; V8-P128 HydrophobicContact CG2-CB 4.09Å; V8-E129 PolarHBondContact N-O 3.34Å; V8-L130 HydrophobicContact CB-CD1 3.87Å; V8-L130 HydrophobicContact CG1-CD1 3.76Å; V8-K131 PolarHBondContact O-N 3.35Å
9L98.9Very high92.5Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-99.5124176.1-65179.3000110.2V7 F26 A29 L33 V41 Q43 G44 I45 W77 K131 L133 V163V7-L9 HydrophobicContact CG1-CD2 4.11Å; L9-F26 HydrophobicContact CB-CD1 4.3Å; L9-F26 HydrophobicContact CB-CE1 4.19Å; L9-A29 HydrophobicContact CD1-CB 3.75Å; L9-L33 HydrophobicContact CD2-CD1 3.87Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD1-CG2 4.35Å; L9-V41 HydrophobicContact CG-CG1 4.08Å; L9-Q43 PolarHBondContact N-O 2.82Å; L9-G44 CarbonylContact O-C 3.55Å; L9-G44 WeakPolarHBondContact O-CA 3.49Å; L9-I45 PolarHBondContact O-N 3.41Å; L9-W77 HydrophobicContact CD1-CH2 4.18Å; L9-W77 HydrophobicContact CD1-CZ3 4.31Å; L9-K131 HydrophobicContact CD2-CB 4.23Å; L9-L133 HydrophobicContact CB-CB 4.4Å; L9-V163 HydrophobicContact CD2-CB 4.47Å; L9-V163 HydrophobicContact CD2-CG2 3.88Å
10L98.9Very high92.7Very high0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-109.9122.7174.9175.667.6000110.3I45 V96 L97 L130 K131 L132 L133L10-I45 WeakPolarHBondContact CA-O 3.49Å; L10-I45 HydrophobicContact CD1-CB 3.82Å; L10-I45 HydrophobicContact CD1-CG2 3.62Å; L10-V96 HydrophobicContact CD2-CG1 4.17Å; L10-L97 HydrophobicContact CB-CD2 4.48Å; L10-L97 HydrophobicContact CD2-CD2 3.69Å; L10-L97 HydrophobicContact CD2-CG 3.99Å; L10-L130 HydrophobicContact CB-CD1 4.01Å; L10-K131 PolarHBondContact N-O 2.88Å; L10-L132 CarbonylContact O-C 3.48Å; L10-L133 PolarHBondContact O-N 2.61Å
11A98.8Very high92.8Very high8 Ų843 Ų437%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-110.1107.8169.400000110.3F15 F26 I45 S47 L133A11-F15 HydrophobicContact CB-CZ 4.17Å; A11-F15 WeakPolarHBondContact O-CZ 3.45Å; A11-F26 HydrophobicContact CB-CE1 4.45Å; A11-F26 HydrophobicContact CB-CE2 3.66Å; A11-F26 HydrophobicContact CB-CZ 3.43Å; A11-F26 VanDerWaalsContact CB-CZ 3.43Å; A11-I45 PolarHBondContact N-O 3.5Å; A11-S47 PolarHBondContact O-N 3.11Å; A11-L133 HydrophobicContact CB-CB 4.32Å; A11-L133 HydrophobicContact CB-CD2 4.42Å; A11-L133 HydrophobicContact CB-CG 4.46Å
12C98.6Very high95Very high31 Ų3133.1 Ų33.121%0.20918%0.177CC..EExtended strand (participates in β ladder)trans-85142168.2-68.60000110.1S47 T93C12-S47 WeakPolarHBondContact CA-O 3.34Å; C12-T93 HydrophobicContact CB-CG2 4.19Å
13G97.1Very high96.7Very high25 Ų2525 Ų2526%0.25814%0.143SC..EExtended strand (participates in β ladder)trans174.2175.3177.800000114.4F15 S47 P48 V49G13-F15 WeakPolarHBondContact O-CD2 3.42Å; G13-S47 PolarHBondContact N-O 3.25Å; G13-P48 WeakPolarHBondContact O-CA 3.44Å; G13-V49 PolarHBondContact O-N 3.39Å
14S97.5Very high97.2Very high17 Ų1723.2 Ų23.212%0.11912%0.117CC..  trans-67.2-42.8178.6-50.60000112.2N16 K55 R64S14-N16 PolarHBondContact O-N 3.23Å; S14-K55 WeakPolarHBondContact OG-CD 3.49Å; S14-K55 PolarHBondContact OG-NZ 3.02Å; S14-K55 VanDerWaalsContact OG-NZ 3.16Å; S14-R64 VanDerWaalsContact O-CD 3.29Å; S14-R64 WeakPolarHBondContact O-CD 3.42Å; S14-R64 PolarHBondContact O-NH1 2.89Å
15F98.1Very high97.4Very high7 Ų718.7 Ų18.73%0.03110%0.101CC..  trans4756-170.6-53.6-78.4000112.4A11 G13 P17 I18 H22 I46 P48A11-F15 HydrophobicContact CB-CZ 4.17Å; A11-F15 WeakPolarHBondContact O-CZ 3.45Å; G13-F15 WeakPolarHBondContact O-CD2 3.42Å; F15-P17 VanDerWaalsContact C-CA 3.47Å; F15-P17 CarbonylContact C-O 3.56Å; F15-P17 CarbonylContact O-C 3.59Å; F15-P17 VanDerWaalsContact O-CA 3.32Å; F15-P17 WeakPolarHBondContact O-CA 3.48Å; F15-I18 HydrophobicContact CB-CB 4.31Å; F15-I18 HydrophobicContact CD1-CB 4.41Å; F15-I18 HydrophobicContact CD1-CD1 4.35Å; F15-I18 HydrophobicContact CD1-CG1 4.13Å; F15-I18 PolarHBondContact O-N 3.01Å; F15-H22 HydrophobicContact CD1-CB 4.29Å; F15-H22 AromaticContact CD1-CD2 3.82Å; F15-H22 AromaticContact CD1-CG 3.98Å; F15-H22 HydrophobicContact CE1-CB 4.11Å; F15-H22 AromaticContact CE1-CD2 3.71Å; F15-I46 HydrophobicContact CD1-CG2 4.12Å; F15-I46 HydrophobicContact CD2-CG2 3.86Å; F15-I46 HydrophobicContact CE1-CD1 4.34Å; F15-I46 HydrophobicContact CE1-CG1 4.46Å; F15-I46 HydrophobicContact CE1-CG2 3.91Å; F15-I46 HydrophobicContact CE2-CG2 3.65Å; F15-I46 HydrophobicContact CG-CG2 4.1Å; F15-I46 HydrophobicContact CZ-CB 4.46Å; F15-I46 HydrophobicContact CZ-CG1 4.45Å; F15-I46 HydrophobicContact CZ-CG2 3.68Å; F15-P48 HydrophobicContact CD2-CB 4.3Å; F15-P48 HydrophobicContact CD2-CG 4.25Å
16N97.8Very high97.6Very high1 Ų115.6 Ų15.61%0.0059%0.086CC..THydrogen-bonded Turntrans-121.969.7-168.6-174.547000113.4S14 D57 L58 A59 R206 Y233S14-N16 PolarHBondContact O-N 3.23Å; N16-D57 PolarHBondContact ND2-O 2.95Å; N16-L58 HydrophobicContact CB-CD1 4Å; N16-L58 WeakPolarHBondContact ND2-CA 3.24Å; N16-A59 VanDerWaalsContact OD1-CB 3.26Å; N16-A59 WeakPolarHBondContact OD1-CB 3.47Å; N16-A59 PolarHBondContact OD1-N 3.26Å; N16-R206 VanDerWaalsContact O-CD 3.32Å; N16-R206 WeakPolarHBondContact O-CD 3.44Å; N16-R206 PolarHBondContact O-NH1 3.36Å; N16-Y233 VanDerWaalsContact C-OH 3.31Å; N16-Y233 VanDerWaalsContact OD1-CE1 3.26Å; N16-Y233 WeakPolarHBondContact OD1-CE1 3.32Å; N16-Y233 PolarHBondContact OD1-OH 2.85Å
17P98.4Very high97.6Very high0 Ų017.8 Ų17.80%010%0.096CC..THydrogen-bonded Turncis-84.4175-6.135.2-35.5000112F15 M67 I205 I219 V223 I227 Y233F15-P17 VanDerWaalsContact C-CA 3.47Å; F15-P17 CarbonylContact C-O 3.56Å; F15-P17 CarbonylContact O-C 3.59Å; F15-P17 VanDerWaalsContact O-CA 3.32Å; F15-P17 WeakPolarHBondContact O-CA 3.48Å; P17-M67 HydrophobicContact CB-CE 3.96Å; P17-M67 HydrophobicContact CB-SD 3.73Å; P17-I205 HydrophobicContact CG-CB 4.41Å; P17-I205 HydrophobicContact CG-CG2 3.6Å; P17-I219 HydrophobicContact CG-CD1 4.49Å; P17-V223 HydrophobicContact CB-CG1 4.32Å; P17-I227 HydrophobicContact CB-CD1 4.04Å; P17-I227 HydrophobicContact CG-CD1 3.99Å; P17-Y233 HydrophobicContact CB-CE2 4Å; P17-Y233 HydrophobicContact CG-CE2 4.06Å
18I98.6Very high97.6Very high0 Ų018.2 Ų18.20%010%0.098CC..  trans-60149.8163-168.1165000110.1F15 H22 L23 I46 M67 A68 A71 V223F15-I18 HydrophobicContact CB-CB 4.31Å; F15-I18 HydrophobicContact CD1-CB 4.41Å; F15-I18 HydrophobicContact CD1-CD1 4.35Å; F15-I18 HydrophobicContact CD1-CG1 4.13Å; F15-I18 PolarHBondContact O-N 3.01Å; I18-H22 HydrophobicContact CG1-CB 4.02Å; I18-L23 HydrophobicContact CD1-CD2 3.92Å; I18-I46 HydrophobicContact CD1-CD1 3.47Å; I18-I46 VanDerWaalsContact CD1-CD1 3.47Å; I18-M67 HydrophobicContact CG2-CB 4.34Å; I18-A68 HydrophobicContact CD1-CB 4.19Å; I18-A71 HydrophobicContact CD1-CB 3.95Å; I18-A71 HydrophobicContact CG1-CB 4.46Å; I18-A71 HydrophobicContact CG2-CB 3.7Å; I18-V223 HydrophobicContact CG2-CG1 4.38Å; I18-V223 HydrophobicContact CG2-CG2 3.99Å
19T98.1Very high97.6Very high0 Ų018.2 Ų18.20%010%0.098CC..  trans-135.9165.2-177.272.10000110.8M21 H22 L23 I200 A202 I205 I219T19-M21 PolarHBondContact O-N 3.13Å; T19-M21 PolarHBondContact OG1-N 3.18Å; T19-H22 PolarHBondContact N-ND1 3.32Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.01Å; T19-H22 PolarHBondContact OG1-CE1 3.37Å; T19-H22 PolarHBondContact OG1-ND1 2.92Å; T19-L23 PolarHBondContact O-N 3.23Å; T19-I200 HydrophobicContact CG2-CG2 4.21Å; T19-A202 HydrophobicContact CG2-CB 4.38Å; T19-I205 HydrophobicContact CG2-CG1 3.9Å; T19-I219 HydrophobicContact CG2-CG2 3.83Å
20N96.9Very high97.6Very high48 Ų4820.8 Ų20.826%0.25711%0.108SC..Hα-helixtrans-59.8-26.8175.4-70.5-9.1000112.3L23 R24 Y217 L218 P220N20-L23 PolarHBondContact O-N 3.18Å; N20-R24 VanDerWaalsContact O-CB 3.31Å; N20-R24 WeakPolarHBondContact O-CB 3.42Å; N20-R24 PolarHBondContact O-N 2.97Å; N20-Y217 PolarHBondContact ND2-O 3.15Å; N20-L218 WeakPolarHBondContact CB-O 3.22Å; N20-L218 PolarHBondContact N-O 3.37Å; N20-P220 VanDerWaalsContact OD1-CD 3.26Å; N20-P220 WeakPolarHBondContact OD1-CD 3.19Å
21M93.9Very high97.6Very high14 Ų1424.1 Ų24.17%0.06913%0.125CC..Hα-helixtrans-65.6-42173.5-170.8-175-162.700112T19 L23 R24 L25 R167 N198 I200T19-M21 PolarHBondContact O-N 3.13Å; T19-M21 PolarHBondContact OG1-N 3.18Å; M21-L23 VanDerWaalsContact C-N 3.31Å; M21-L23 PolarHBondContact O-N 3.13Å; M21-R24 PolarHBondContact O-N 3.13Å; M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.1Å; M21-R167 HydrophobicContact CE-CG 3.95Å; M21-R167 PolarHBondContact SD-NH1 3.36Å; M21-R167 PolarHBondContact SD-NH2 2.98Å; M21-R167 VanDerWaalsContact SD-NH2 3.4Å; M21-N198 WeakPolarHBondContact CE-O 3.43Å; M21-N198 WeakPolarHBondContact CG-O 3.49Å; M21-I200 HydrophobicContact CB-CB 4.22Å
22H97Very high97.5Very high35 Ų3525.9 Ų25.916%0.16213%0.132CC..Hα-helixtrans-62.2-40.9177.4-62.1100.5000111.4F15 I18 T19 L25 F26F15-H22 HydrophobicContact CD1-CB 4.29Å; F15-H22 AromaticContact CD1-CD2 3.82Å; F15-H22 AromaticContact CD1-CG 3.98Å; F15-H22 HydrophobicContact CE1-CB 4.11Å; F15-H22 AromaticContact CE1-CD2 3.71Å; I18-H22 HydrophobicContact CG1-CB 4.02Å; T19-H22 PolarHBondContact N-ND1 3.32Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.01Å; T19-H22 PolarHBondContact OG1-CE1 3.37Å; T19-H22 PolarHBondContact OG1-ND1 2.92Å; H22-L25 WeakPolarHBondContact O-CB 3.35Å; H22-L25 PolarHBondContact O-N 3.4Å; H22-F26 WeakPolarHBondContact O-CD2 3.5Å
23L97.6Very high97.5Very high33 Ų3324.4 Ų24.417%0.17312%0.122CC..Hα-helixtrans-65.4-43.6175.3-58.4178.2000111I18 T19 N20 M21 L25 F26 E27 I46 A71 L72 P220I18-L23 HydrophobicContact CD1-CD2 3.92Å; T19-L23 PolarHBondContact O-N 3.23Å; N20-L23 PolarHBondContact O-N 3.18Å; M21-L23 VanDerWaalsContact C-N 3.31Å; M21-L23 PolarHBondContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.37Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 2.95Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-E27 PolarHBondContact O-N 2.92Å; L23-I46 HydrophobicContact CD2-CD1 4.45Å; L23-A71 HydrophobicContact CD1-CB 4.46Å; L23-L72 HydrophobicContact CD2-CD2 3.64Å; L23-P220 HydrophobicContact CD1-CG 3.85Å
24R96.2Very high97.5Very high84 Ų8426 Ų2632%0.31712%0.123SC..Hα-helixtrans-60.1-35.1178.2-175.960.2-179.1153.711.8112.7N20 M21 F26 E27 V28 E194N20-R24 VanDerWaalsContact O-CB 3.31Å; N20-R24 WeakPolarHBondContact O-CB 3.42Å; N20-R24 PolarHBondContact O-N 2.97Å; M21-R24 PolarHBondContact O-N 3.13Å; R24-F26 PolarHBondContact O-N 3.18Å; R24-E27 PolarHBondContact O-N 2.93Å; R24-V28 HydrophobicContact CG-CG2 4.03Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.03Å; R24-E194 IonicContact CZ-OE1 3.71Å; R24-E194 IonicContact CZ-OE2 2.68Å; R24-E194 IonicContact NE-OE1 2.85Å; R24-E194 PolarHBondContact NE-OE1 3.05Å; R24-E194 IonicContact NE-OE2 3.53Å; R24-E194 PolarHBondContact NE-OE2 3.08Å; R24-E194 IonicContact NH2-OE1 3.5Å; R24-E194 PolarHBondContact NH2-OE1 3.47Å; R24-E194 IonicContact NH2-OE2 3.68Å; R24-E194 PolarHBondContact NH2-OE2 2.96Å
25L95.8Very high97.5Very high18 Ų1832.5 Ų32.59%0.09415%0.151CC..Hα-helixtrans-54.5-42.2176-71.5173.4000112.1M21 H22 L23 A29 L133 V165M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.1Å; H22-L25 WeakPolarHBondContact O-CB 3.35Å; H22-L25 PolarHBondContact O-N 3.4Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.37Å; L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.25Å; L25-A29 PolarHBondContact O-N 3.42Å; L25-L133 HydrophobicContact CB-CD2 4.28Å; L25-V165 HydrophobicContact CB-CG2 4.47Å; L25-V165 HydrophobicContact CD2-CB 3.42Å; L25-V165 VanDerWaalsContact CD2-CB 3.42Å; L25-V165 HydrophobicContact CD2-CG1 3.83Å; L25-V165 HydrophobicContact CD2-CG2 3.69Å
26F98.3Very high97.4Very high1 Ų134.6 Ų34.60%0.00417%0.165CC..Hα-helixtrans-65.5-47.1179.7-81.8-89.3000111.7L9 A11 H22 L23 R24 V28 A29 R30 I45 I46 W77 I78 L133L9-F26 HydrophobicContact CB-CD1 4.3Å; L9-F26 HydrophobicContact CB-CE1 4.19Å; A11-F26 HydrophobicContact CB-CE1 4.45Å; A11-F26 HydrophobicContact CB-CE2 3.66Å; A11-F26 HydrophobicContact CB-CZ 3.43Å; A11-F26 VanDerWaalsContact CB-CZ 3.43Å; H22-F26 WeakPolarHBondContact O-CD2 3.5Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 2.95Å; L23-F26 VanDerWaalsContact O-N 3.14Å; R24-F26 PolarHBondContact O-N 3.18Å; F26-V28 PolarHBondContact O-N 3.25Å; F26-A29 PolarHBondContact O-N 3.32Å; F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.33Å; F26-I45 WeakPolarHBondContact CZ-O 3.46Å; F26-I46 HydrophobicContact CE2-CD1 3.94Å; F26-I46 HydrophobicContact CE2-CG1 3.5Å; F26-I46 HydrophobicContact CZ-CG1 3.63Å; F26-W77 HydrophobicContact CB-CH2 3.64Å; F26-W77 HydrophobicContact CB-CZ2 3.64Å; F26-W77 AromaticContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CZ2 4.49Å; F26-W77 HydrophobicContact CD1-CZ3 4.16Å; F26-W77 HydrophobicContact CG-CH2 4.21Å; F26-W77 WeakPolarHBondContact O-CH2 3.29Å; F26-I78 HydrophobicContact CB-CD1 3.45Å; F26-I78 VanDerWaalsContact CB-CD1 3.45Å; F26-I78 HydrophobicContact CB-CG1 4.25Å; F26-I78 HydrophobicContact CD1-CD1 4.16Å; F26-I78 HydrophobicContact CD1-CG1 4.15Å; F26-I78 HydrophobicContact CD1-CG2 4.27Å; F26-I78 HydrophobicContact CD2-CD1 4.28Å; F26-I78 HydrophobicContact CE1-CG2 4.18Å; F26-I78 HydrophobicContact CE2-CG2 4.5Å; F26-I78 HydrophobicContact CG-CD1 3.72Å; F26-I78 HydrophobicContact CG-CG1 4.23Å; F26-I78 HydrophobicContact CG-CG2 4.46Å; F26-I78 HydrophobicContact CZ-CG2 4.29Å; F26-L133 HydrophobicContact CB-CD2 4.23Å; F26-L133 HydrophobicContact CD1-CD2 3.57Å; F26-L133 HydrophobicContact CD2-CD2 3.77Å; F26-L133 HydrophobicContact CE1-CD2 3.76Å; F26-L133 HydrophobicContact CE2-CD2 3.94Å; F26-L133 HydrophobicContact CG-CD2 3.58Å; F26-L133 HydrophobicContact CZ-CD2 3.94Å
27E97.9Very high97.3Very high52 Ų5236.4 Ų36.424%0.24318%0.184CC..Hα-helixtrans-60.1-46.6179.5-61.8-55.6137.900111.7L23 R24 A29 R30 D31 W77L23-E27 PolarHBondContact O-N 2.92Å; R24-E27 PolarHBondContact O-N 2.93Å; E27-A29 PolarHBondContact O-N 3.07Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 IonicContact OE1-NH2 3.51Å; E27-R30 IonicContact OE2-CZ 2.85Å; E27-R30 IonicContact OE2-NE 2.74Å; E27-R30 IonicContact OE2-NH2 2.84Å; E27-R30 PolarHBondContact OE2-NH2 3.11Å; E27-D31 PolarHBondContact O-N 3.28Å; E27-W77 PolarHBondContact OE1-NE1 2.91Å
28V97.4Very high97.2Very high9 Ų941.1 Ų41.16%0.05521%0.207CC..Hα-helixtrans-64.5-42.3180176.90000111.8R24 F26 H32 V165 A192 E194R24-V28 HydrophobicContact CG-CG2 4.03Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.03Å; F26-V28 PolarHBondContact O-N 3.25Å; V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.44Å; V28-H32 PolarHBondContact O-N 3.28Å; V28-V165 HydrophobicContact CB-CG1 4.26Å; V28-V165 HydrophobicContact CB-CG2 4.46Å; V28-V165 HydrophobicContact CG1-CG1 3.76Å; V28-V165 HydrophobicContact CG1-CG2 4.31Å; V28-A192 HydrophobicContact CG1-CB 3.98Å; V28-E194 HydrophobicContact CG1-CB 4.42Å; V28-E194 WeakPolarHBondContact CG2-OE2 3.38Å
29A98.2Very high97.1Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-66-41.2177.600000112.1L9 L25 F26 E27 H32 L33 L133 V163 V165L9-A29 HydrophobicContact CD1-CB 3.75Å; L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.25Å; L25-A29 PolarHBondContact O-N 3.42Å; F26-A29 PolarHBondContact O-N 3.32Å; E27-A29 PolarHBondContact O-N 3.07Å; A29-H32 PolarHBondContact O-N 3.15Å; A29-L33 WeakPolarHBondContact O-CG 3.09Å; A29-L33 PolarHBondContact O-N 3.01Å; A29-L133 HydrophobicContact CB-CD1 3.48Å; A29-L133 VanDerWaalsContact CB-CD1 3.48Å; A29-L133 HydrophobicContact CB-CD2 4.36Å; A29-V163 HydrophobicContact CB-CG1 3.67Å; A29-V165 HydrophobicContact CB-CG2 4.41Å
30R98.4Very high97.1Very high54 Ų5446.2 Ų46.220%0.20423%0.23CC..Hα-helixtrans-60.9-52.3176.5175.3169.173163.11.4111.5F26 E27 H32 L33 H34 V41 W77F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.33Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 IonicContact OE1-NH2 3.51Å; E27-R30 IonicContact OE2-CZ 2.85Å; E27-R30 IonicContact OE2-NE 2.74Å; E27-R30 IonicContact OE2-NH2 2.84Å; E27-R30 PolarHBondContact OE2-NH2 3.11Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 3.05Å; R30-L33 PolarHBondContact O-N 2.94Å; R30-H34 PolarHBondContact O-N 3.03Å; R30-V41 HydrophobicContact CB-CB 4.44Å; R30-V41 HydrophobicContact CB-CG1 4.5Å; R30-V41 HydrophobicContact CB-CG2 4.42Å; R30-V41 HydrophobicContact CG-CB 4Å; R30-V41 HydrophobicContact CG-CG1 4.35Å; R30-V41 HydrophobicContact CG-CG2 4.32Å; R30-W77 HydrophobicContact CB-CH2 3.77Å; R30-W77 HydrophobicContact CB-CZ2 3.97Å; R30-W77 HydrophobicContact CB-CZ3 4.49Å; R30-W77 HydrophobicContact CG-CH2 4.43Å; R30-W77 HydrophobicContact CG-CZ2 4.5Å; R30-W77 VanDerWaalsContact CZ-NE1 3.26Å
31D98Very high97.1Very high69 Ų6944.5 Ų44.537%0.36922%0.221SC..Hα-helixtrans-58.6-45.5178.9-72.2-11000111.1E27 L33 H34 Q35E27-D31 PolarHBondContact O-N 3.28Å; D31-L33 PolarHBondContact O-N 3.27Å; D31-H34 PolarHBondContact O-N 3.08Å; D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 WeakPolarHBondContact O-CG 3.39Å; D31-Q35 PolarHBondContact O-N 2.88Å
32H98.2Very high97.2Very high46 Ų4646.2 Ų46.221%0.21323%0.23CC..Hα-helixtrans-59.2-48.9178.6178.673.7000112.2V28 A29 R30 H34 Q35 T36 L191 A192V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.44Å; V28-H32 PolarHBondContact O-N 3.28Å; A29-H32 PolarHBondContact O-N 3.15Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 3.05Å; H32-H34 PolarHBondContact O-N 3.48Å; H32-Q35 PolarHBondContact O-N 3.38Å; H32-T36 WeakPolarHBondContact O-CG2 3.45Å; H32-T36 PolarHBondContact O-N 3.21Å; H32-L191 PolarHBondContact CE1-O 2.9Å; H32-L191 VanDerWaalsContact CE1-O 3.22Å; H32-A192 HydrophobicContact CB-CB 3.64Å
33L98.2Very high97.3Very high0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-64.4-40.7179.2-73.8-177.1000111.9V7 L9 A29 R30 D31 T36 Y39 V41 V163 H190V7-L33 HydrophobicContact CB-CD1 4.48Å; V7-L33 HydrophobicContact CG1-CD1 3.96Å; L9-L33 HydrophobicContact CD2-CD1 3.87Å; A29-L33 WeakPolarHBondContact O-CG 3.09Å; A29-L33 PolarHBondContact O-N 3.01Å; R30-L33 PolarHBondContact O-N 2.94Å; D31-L33 PolarHBondContact O-N 3.27Å; L33-T36 WeakPolarHBondContact O-CB 3.25Å; L33-T36 PolarHBondContact O-N 2.74Å; L33-T36 PolarHBondContact O-OG1 3.48Å; L33-Y39 HydrophobicContact CD2-CD2 3.82Å; L33-Y39 HydrophobicContact CD2-CE2 4.23Å; L33-Y39 HydrophobicContact CD2-CG 4.36Å; L33-V41 HydrophobicContact CB-CG2 3.88Å; L33-V41 HydrophobicContact CD1-CG2 3.59Å; L33-V41 HydrophobicContact CG-CG2 4.37Å; L33-V163 HydrophobicContact CD1-CG2 4.03Å; L33-V163 HydrophobicContact CD2-CG2 4.26Å; L33-V163 HydrophobicContact CG-CG2 4.37Å; L33-H190 HydrophobicContact CD2-CB 4.22Å
34H97.6Very high97.3Very high58 Ų5845.1 Ų45.127%0.26922%0.224SC..Hα-helixtrans-64.4-38.7175.9-72.1179.8000112.4R30 D31 H32 T36 G37 V41R30-H34 PolarHBondContact O-N 3.03Å; D31-H34 PolarHBondContact O-N 3.08Å; H32-H34 PolarHBondContact O-N 3.48Å; H34-T36 PolarHBondContact O-N 3.01Å; H34-G37 PolarHBondContact O-N 3.3Å; H34-V41 PolarHBondContact CD2-N 3.26Å; H34-V41 PolarHBondContact NE2-N 3.3Å
35Q96.9Very high97.5Very high153 Ų15341.2 Ų41.272%0.71521%0.21SC*.Hα-helixtrans-62.9-25.7178.4-76.4166.819.300113.3D31 H32 G37D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 WeakPolarHBondContact O-CG 3.39Å; D31-Q35 PolarHBondContact O-N 2.88Å; H32-Q35 PolarHBondContact O-N 3.38Å; Q35-G37 PolarHBondContact O-N 3.15Å
36T96.3Very high97.6Very high51 Ų5140.4 Ų40.431%0.31321%0.205SC..THydrogen-bonded Turntrans-63-20.8172.972.20000112.8H32 L33 H34 M38 Y39H32-T36 WeakPolarHBondContact O-CG2 3.45Å; H32-T36 PolarHBondContact O-N 3.21Å; L33-T36 WeakPolarHBondContact O-CB 3.25Å; L33-T36 PolarHBondContact O-N 2.74Å; L33-T36 PolarHBondContact O-OG1 3.48Å; H34-T36 PolarHBondContact O-N 3.01Å; T36-M38 PolarHBondContact O-N 3.09Å; T36-M38 VanDerWaalsContact O-N 3.14Å; T36-M38 PolarHBondContact OG1-N 2.97Å; T36-M38 VanDerWaalsContact OG1-N 3.1Å; T36-Y39 WeakPolarHBondContact OG1-CD2 3.41Å
37G95.8Very high97.6Very high39 Ų3940.3 Ų40.340%0.40221%0.205SC..SBendtrans70.5-3.8-171.900000114.6H34 Q35H34-G37 PolarHBondContact O-N 3.3Å; Q35-G37 PolarHBondContact O-N 3.15Å
38M95.2Very high97.7Very high100 Ų10037.9 Ų37.949%0.49319%0.194SC..SBendtrans-93.7-32-177.6-58-169.2-60.900112.6R4 I5 T36R4-M38 CarbonylContact C-O 3.58Å; R4-M38 WeakPolarHBondContact CA-O 3.4Å; I5-M38 PolarHBondContact N-O 3.39Å; T36-M38 PolarHBondContact O-N 3.09Å; T36-M38 VanDerWaalsContact O-N 3.14Å; T36-M38 PolarHBondContact OG1-N 2.97Å; T36-M38 VanDerWaalsContact OG1-N 3.1Å
39Y97.1Very high97.7Very high20 Ų2037.8 Ų37.88%0.07819%0.193CC..EExtended strand (participates in β ladder)trans-114.3151.4-171.3-58.5-74.6000113I5 V7 L33 T36 H190I5-Y39 HydrophobicContact CB-CD1 3.78Å; I5-Y39 HydrophobicContact CB-CE1 4.15Å; I5-Y39 HydrophobicContact CD1-CD1 4.42Å; I5-Y39 HydrophobicContact CD1-CE1 4.01Å; I5-Y39 HydrophobicContact CG2-CD1 4.05Å; I5-Y39 HydrophobicContact CG2-CE1 4.21Å; I5-Y39 CarbonylContact O-C 3.53Å; I5-Y39 WeakPolarHBondContact O-CA 3.49Å; V7-Y39 HydrophobicContact CG2-CD1 3.39Å; V7-Y39 HydrophobicContact CG2-CE1 4.22Å; V7-Y39 HydrophobicContact CG2-CG 3.96Å; L33-Y39 HydrophobicContact CD2-CD2 3.82Å; L33-Y39 HydrophobicContact CD2-CE2 4.23Å; L33-Y39 HydrophobicContact CD2-CG 4.36Å; T36-Y39 WeakPolarHBondContact OG1-CD2 3.41Å; Y39-H190 AromaticContact CE2-CE1 3.52Å; Y39-H190 AromaticContact CZ-CE1 3.86Å
40Q97.1Very high97.7Very high87 Ų8738 Ų3841%0.40719%0.194SC..EExtended strand (participates in β ladder)trans-126101.2168.2-178.8173.60.900108.3R4 I5 P6 V7 I42R4-Q40 HydrophobicContact CB-CB 3.93Å; I5-Q40 PolarHBondContact O-N 2.97Å; P6-Q40 CarbonylContact C-O 3.6Å; P6-Q40 VanDerWaalsContact CA-O 3.29Å; P6-Q40 WeakPolarHBondContact CA-O 3.33Å; V7-Q40 PolarHBondContact N-O 3.11Å; Q40-I42 HydrophobicContact CG-CG2 4.18Å; Q40-I42 PolarHBondContact O-N 3.46Å
41V97.9Very high97.6Very high12 Ų1238.2 Ų38.27%0.07320%0.199CC..EExtended strand (participates in β ladder)trans-65.9124.9171.1-1770000109.4V7 L9 R30 L33 H34 W77V7-V41 HydrophobicContact CB-CG2 4.38Å; V7-V41 CarbonylContact O-C 3.53Å; V7-V41 VanDerWaalsContact O-CA 3.31Å; V7-V41 WeakPolarHBondContact O-CA 3.43Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD1-CG2 4.35Å; L9-V41 HydrophobicContact CG-CG1 4.08Å; R30-V41 HydrophobicContact CB-CB 4.44Å; R30-V41 HydrophobicContact CB-CG1 4.5Å; R30-V41 HydrophobicContact CB-CG2 4.42Å; R30-V41 HydrophobicContact CG-CB 4Å; R30-V41 HydrophobicContact CG-CG1 4.35Å; R30-V41 HydrophobicContact CG-CG2 4.32Å; L33-V41 HydrophobicContact CB-CG2 3.88Å; L33-V41 HydrophobicContact CD1-CG2 3.59Å; L33-V41 HydrophobicContact CG-CG2 4.37Å; H34-V41 PolarHBondContact CD2-N 3.26Å; H34-V41 PolarHBondContact NE2-N 3.3Å; V41-W77 HydrophobicContact CG1-CE3 4.06Å; V41-W77 HydrophobicContact CG1-CH2 4.31Å; V41-W77 HydrophobicContact CG1-CZ3 3.53Å
42I96.9Very high97.4Very high49 Ų4940 Ų4025%0.25121%0.209SC..EExtended strand (participates in β ladder)trans-112.3-20-176.456.3168.9000112.9P6 V7 V8 Q40 P109 P128P6-I42 HydrophobicContact CB-CD1 3.95Å; P6-I42 HydrophobicContact CB-CG1 4.46Å; P6-I42 HydrophobicContact CB-CG2 4.27Å; V7-I42 WeakPolarHBondContact O-CG1 3.39Å; V7-I42 PolarHBondContact O-N 3.14Å; V8-I42 HydrophobicContact CG2-CD1 4.26Å; V8-I42 HydrophobicContact CG2-CG1 4.07Å; Q40-I42 HydrophobicContact CG-CG2 4.18Å; Q40-I42 PolarHBondContact O-N 3.46Å; I42-P109 HydrophobicContact CD1-CB 4.31Å; I42-P109 HydrophobicContact CD1-CG 3.34Å; I42-P128 HydrophobicContact CD1-CB 3.91Å; I42-P128 HydrophobicContact CD1-CG 3.65Å
43Q98.1Very high96.9Very high46 Ų4642.6 Ų42.622%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-159148.9179.5-173.1169.254.100112.1V8 L9 I45 W77 R79V8-Q43 WeakPolarHBondContact CA-O 3.47Å; V8-Q43 HydrophobicContact CG1-CB 4.29Å; V8-Q43 HydrophobicContact CG2-CB 4.28Å; L9-Q43 PolarHBondContact N-O 2.82Å; Q43-I45 HydrophobicContact CG-CG1 4.42Å; Q43-W77 CarbonylContact C-O 3.48Å; Q43-W77 WeakPolarHBondContact CA-O 3.38Å; Q43-R79 VanDerWaalsContact NE2-CD 3.3Å
44G98.7Very high95.9Very high0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-114142.9166.100000111.4L9 W77 I78 R79L9-G44 CarbonylContact O-C 3.55Å; L9-G44 WeakPolarHBondContact O-CA 3.49Å; G44-W77 VanDerWaalsContact N-CE3 3.35Å; G44-W77 PolarHBondContact N-O 3.07Å; G44-I78 WeakPolarHBondContact O-CA 3.35Å; G44-R79 PolarHBondContact O-N 3.09Å
45I98.9Very high95.2Very high2 Ų247.1 Ų47.11%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-127.3120.3178.1-56.9174.2000109V8 L9 L10 A11 F26 Q43 R79 D81V8-I45 HydrophobicContact CG1-CD1 3.68Å; V8-I45 HydrophobicContact CG1-CG1 4.03Å; L9-I45 PolarHBondContact O-N 3.41Å; L10-I45 WeakPolarHBondContact CA-O 3.49Å; L10-I45 HydrophobicContact CD1-CB 3.82Å; L10-I45 HydrophobicContact CD1-CG2 3.62Å; A11-I45 PolarHBondContact N-O 3.5Å; F26-I45 WeakPolarHBondContact CZ-O 3.46Å; Q43-I45 HydrophobicContact CG-CG1 4.42Å; I45-R79 CarbonylContact C-O 3.34Å; I45-R79 WeakPolarHBondContact CA-O 3.5Å; I45-R79 HydrophobicContact CG1-CG 4.49Å; I45-D81 HydrophobicContact CG2-CB 3.69Å
46I98.9Very high94.5Very high0 Ų047.4 Ų47.40%026%0.255CS..EExtended strand (participates in β ladder)trans-92121.3165.6-71.1-172.5000108.1F15 I18 L23 F26 P48 A68 L72 I78 R79 V80 D81F15-I46 HydrophobicContact CD1-CG2 4.12Å; F15-I46 HydrophobicContact CD2-CG2 3.86Å; F15-I46 HydrophobicContact CE1-CD1 4.34Å; F15-I46 HydrophobicContact CE1-CG1 4.46Å; F15-I46 HydrophobicContact CE1-CG2 3.91Å; F15-I46 HydrophobicContact CE2-CG2 3.65Å; F15-I46 HydrophobicContact CG-CG2 4.1Å; F15-I46 HydrophobicContact CZ-CB 4.46Å; F15-I46 HydrophobicContact CZ-CG1 4.45Å; F15-I46 HydrophobicContact CZ-CG2 3.68Å; I18-I46 HydrophobicContact CD1-CD1 3.47Å; I18-I46 VanDerWaalsContact CD1-CD1 3.47Å; L23-I46 HydrophobicContact CD2-CD1 4.45Å; F26-I46 HydrophobicContact CE2-CD1 3.94Å; F26-I46 HydrophobicContact CE2-CG1 3.5Å; F26-I46 HydrophobicContact CZ-CG1 3.63Å; I46-P48 HydrophobicContact CG2-CG 4.31Å; I46-P48 WeakPolarHBondContact O-CD 3.24Å; I46-A68 HydrophobicContact CG2-CB 4.13Å; I46-L72 HydrophobicContact CD1-CD1 4.12Å; I46-L72 HydrophobicContact CD1-CD2 4.28Å; I46-L72 HydrophobicContact CD1-CG 4.49Å; I46-I78 HydrophobicContact CD1-CG2 4.37Å; I46-I78 HydrophobicContact CG1-CG2 4.12Å; I46-R79 PolarHBondContact N-O 3.03Å; I46-V80 HydrophobicContact CG2-CG2 4.38Å; I46-V80 WeakPolarHBondContact O-CA 3.47Å; I46-D81 PolarHBondContact O-N 2.86Å
47S98.8Very high94.2Very high0 Ų048.9 Ų48.90%026%0.261CS..EExtended strand (participates in β ladder)trans-115.697.2178.1-175.30000110.1A11 C12 G13 E84A11-S47 PolarHBondContact O-N 3.11Å; C12-S47 WeakPolarHBondContact CA-O 3.34Å; G13-S47 PolarHBondContact N-O 3.25Å; S47-E84 WeakPolarHBondContact CB-OE2 3.2Å; S47-E84 WeakPolarHBondContact OG-CB 3.31Å; S47-E84 PolarHBondContact OG-OE2 3.14Å
48P98.7Very high94.1Very high0 Ų048.6 Ų48.60%025%0.25CC..EExtended strand (participates in β ladder)trans-65.6134175.3-22.536.3000112.1G13 F15 I46 V65 V80 D81 S85G13-P48 WeakPolarHBondContact O-CA 3.44Å; F15-P48 HydrophobicContact CD2-CB 4.3Å; F15-P48 HydrophobicContact CD2-CG 4.25Å; I46-P48 HydrophobicContact CG2-CG 4.31Å; I46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-V65 HydrophobicContact CB-CG2 4.17Å; P48-V65 HydrophobicContact CG-CG2 3.92Å; P48-V80 HydrophobicContact CG-CG2 3.96Å; P48-D81 WeakPolarHBondContact CD-O 3.16Å; P48-S85 WeakPolarHBondContact O-CB 3.46Å; P48-S85 PolarHBondContact O-N 3.49Å
49V98.4Very high94.1Very high7 Ų744.5 Ų44.54%0.04223%0.232CC..PPolyproline II helixtrans-61.1152.2-179.576.40000112.1G13 Y53 L58 R64 E84G13-V49 PolarHBondContact O-N 3.39Å; V49-Y53 HydrophobicContact CG1-CD1 4.17Å; V49-Y53 HydrophobicContact CG1-CG 4.36Å; V49-Y53 HydrophobicContact CG2-CD1 4.22Å; V49-Y53 HydrophobicContact CG2-CD2 4.06Å; V49-Y53 HydrophobicContact CG2-CG 3.73Å; V49-L58 HydrophobicContact CG1-CD1 4.4Å; V49-L58 HydrophobicContact CG1-CD2 4.16Å; V49-R64 VanDerWaalsContact O-CZ 3.24Å; V49-R64 PolarHBondContact O-NH1 3.14Å; V49-R64 PolarHBondContact O-NH2 2.95Å; V49-E84 WeakPolarHBondContact CA-OE1 3.46Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.31Å
50N98.2Very high94.1Very high5 Ų545.2 Ų45.23%0.02724%0.242CC..PPolyproline II helixtrans-59.5149.5169.9-163.2-89.7000113.5N52 Y53 E84 S85 Q87N50-N52 VanDerWaalsContact C-N 3.26Å; N50-N52 PolarHBondContact O-N 3.22Å; N50-N52 VanDerWaalsContact OD1-CB 3.26Å; N50-N52 WeakPolarHBondContact OD1-CB 2.9Å; N50-N52 PolarHBondContact OD1-N 2.68Å; N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 2.9Å; N50-Y53 VanDerWaalsContact O-N 3.17Å; N50-E84 PolarHBondContact ND2-O 3.46Å; N50-S85 PolarHBondContact ND2-O 3.26Å; N50-S85 VanDerWaalsContact ND2-O 3.11Å; N50-Q87 PolarHBondContact ND2-O 3.25Å
51D95.9Very high94.1Very high58 Ų5842 Ų4231%0.3123%0.229SC..G310 helixtrans-66.2-28177.9-70.8-30.3000112.7Y53 G54 S61 R64D51-Y53 PolarHBondContact O-N 3.47Å; D51-Y53 VanDerWaalsContact O-N 3.09Å; D51-G54 PolarHBondContact O-N 3.33Å; D51-S61 WeakPolarHBondContact OD1-CA 3.46Å; D51-S61 WeakPolarHBondContact OD1-CB 3.32Å; D51-S61 PolarHBondContact OD1-N 3.35Å; D51-S61 VanDerWaalsContact OD2-CB 3.25Å; D51-S61 WeakPolarHBondContact OD2-CB 3.26Å; D51-S61 PolarHBondContact OD2-N 2.85Å; D51-S61 PolarHBondContact OD2-OG 3.24Å; D51-R64 IonicContact OD1-CZ 3.31Å; D51-R64 IonicContact OD1-NH2 2.87Å; D51-R64 PolarHBondContact OD1-NH2 3.45Å
52N93.3Very high94.2Very high108 Ų10846.8 Ų46.858%0.57825%0.25SS*.G310 helixtrans-73.24.7175.5-65.9-20.4000113.5N50 G54 T88N50-N52 VanDerWaalsContact C-N 3.26Å; N50-N52 PolarHBondContact O-N 3.22Å; N50-N52 VanDerWaalsContact OD1-CB 3.26Å; N50-N52 WeakPolarHBondContact OD1-CB 2.9Å; N50-N52 PolarHBondContact OD1-N 2.68Å; N52-G54 PolarHBondContact O-N 2.93Å; N52-T88 PolarHBondContact ND2-O 2.8Å
53Y87Confident94.2Very high99 Ų9946 Ų4639%0.38825%0.246SC..G310 helixtrans-61.7-20.2169.5-177.7-122000112.7V49 N50 D51 K55 W90V49-Y53 HydrophobicContact CG1-CD1 4.17Å; V49-Y53 HydrophobicContact CG1-CG 4.36Å; V49-Y53 HydrophobicContact CG2-CD1 4.22Å; V49-Y53 HydrophobicContact CG2-CD2 4.06Å; V49-Y53 HydrophobicContact CG2-CG 3.73Å; N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 2.9Å; N50-Y53 VanDerWaalsContact O-N 3.17Å; D51-Y53 PolarHBondContact O-N 3.47Å; D51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 HydrophobicContact CD1-CB 3.62Å; Y53-K55 HydrophobicContact CD1-CD 4.46Å; Y53-K55 HydrophobicContact CE1-CB 3.84Å; Y53-K55 HydrophobicContact CE1-CD 4.1Å; Y53-K55 HydrophobicContact CE1-CG 4.5Å; Y53-K55 PolarHBondContact O-N 2.88Å; Y53-W90 AromaticContact CD2-CD1 3.5Å; Y53-W90 HydrophobicContact CD2-CD2 4.37Å; Y53-W90 AromaticContact CD2-CE2 3.89Å; Y53-W90 HydrophobicContact CD2-CG 4.13Å; Y53-W90 AromaticContact CD2-NE1 3.33Å; Y53-W90 VanDerWaalsContact CD2-NE1 3.33Å; Y53-W90 AromaticContact CE2-NE1 3.9Å
54G77.3Confident94.3Very high68 Ų6843.8 Ų43.870%0.70124%0.235SC*.  trans72.614.9171.300000114.7D51 N52 K56D51-G54 PolarHBondContact O-N 3.33Å; N52-G54 PolarHBondContact O-N 2.93Å; G54-K56 PolarHBondContact O-N 3.34Å
55K83.8Confident94.3Very high85 Ų8544.6 Ų44.637%0.3724%0.24SC..  trans-69.1129.2174.5-176.2174.2-174.41660110.3S14 Y53 D57 L58S14-K55 WeakPolarHBondContact OG-CD 3.49Å; S14-K55 PolarHBondContact OG-NZ 3.02Å; S14-K55 VanDerWaalsContact OG-NZ 3.16Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 HydrophobicContact CD1-CB 3.62Å; Y53-K55 HydrophobicContact CD1-CD 4.46Å; Y53-K55 HydrophobicContact CE1-CB 3.84Å; Y53-K55 HydrophobicContact CE1-CD 4.1Å; Y53-K55 HydrophobicContact CE1-CG 4.5Å; Y53-K55 PolarHBondContact O-N 2.88Å; K55-D57 PolarHBondContact O-N 2.97Å; K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 VanDerWaalsContact O-CB 3.23Å; K55-L58 WeakPolarHBondContact O-CB 3.31Å; K55-L58 PolarHBondContact O-N 3.03Å
56K82.9Confident94.3Very high160 Ų16045.8 Ų45.870%0.69625%0.25SS*.THydrogen-bonded Turntrans-55.7136.2173.7-169.3179.4175.5-179.50110.9G54 L58G54-K56 PolarHBondContact O-N 3.34Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 2.85Å
57D88.5Confident94.3Very high81 Ų8145.8 Ų45.843%0.43325%0.25SS..THydrogen-bonded Turntrans63.722-179.7-44.5-42.7000115N16 K55 A59N16-D57 PolarHBondContact ND2-O 2.95Å; K55-D57 PolarHBondContact O-N 2.97Å; D57-A59 PolarHBondContact O-N 3.31Å
58L93.8Very high94.3Very high33 Ų3345.8 Ų45.817%0.17325%0.25CS..  trans-70114.9173.1-170.564.2000109.8N16 V49 K55 K56N16-L58 HydrophobicContact CB-CD1 4Å; N16-L58 WeakPolarHBondContact ND2-CA 3.24Å; V49-L58 HydrophobicContact CG1-CD1 4.4Å; V49-L58 HydrophobicContact CG1-CD2 4.16Å; K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 VanDerWaalsContact O-CB 3.23Å; K55-L58 WeakPolarHBondContact O-CB 3.31Å; K55-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 2.85Å
59A95.9Very high94.3Very high15 Ų1552.8 Ų52.812%0.12428%0.277CS..  trans-63.4152.1170.100000109.8N16 D57 R64 Y233N16-A59 VanDerWaalsContact OD1-CB 3.26Å; N16-A59 WeakPolarHBondContact OD1-CB 3.47Å; N16-A59 PolarHBondContact OD1-N 3.26Å; D57-A59 PolarHBondContact O-N 3.31Å; A59-R64 HydrophobicContact CB-CG 4.22Å; A59-R64 VanDerWaalsContact O-CD 3.31Å; A59-R64 WeakPolarHBondContact O-CD 3.38Å; A59-R64 PolarHBondContact O-NE 3.24Å; A59-Y233 HydrophobicContact CB-CE1 4Å
60A97.3Very high94.3Very high34 Ų3454.6 Ų54.628%0.28129%0.286SS..  trans-54142.6178.300000111.7H62 H63 R64A60-H62 VanDerWaalsContact C-N 3.29Å; A60-H62 PolarHBondContact O-N 3.49Å; A60-H63 WeakPolarHBondContact O-CB 3.47Å; A60-H63 PolarHBondContact O-N 3.3Å; A60-R64 PolarHBondContact O-N 3Å
61S97.8Very high94.3Very high20 Ų2054.7 Ų54.714%0.1429%0.287CS..Hα-helixtrans-52.1-44.2-175.747.10000113D51 H63 R64 V65D51-S61 WeakPolarHBondContact OD1-CA 3.46Å; D51-S61 WeakPolarHBondContact OD1-CB 3.32Å; D51-S61 PolarHBondContact OD1-N 3.35Å; D51-S61 VanDerWaalsContact OD2-CB 3.25Å; D51-S61 WeakPolarHBondContact OD2-CB 3.26Å; D51-S61 PolarHBondContact OD2-N 2.85Å; D51-S61 PolarHBondContact OD2-OG 3.24Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 3.45Å; S61-R64 VanDerWaalsContact CA-NH2 3.32Å; S61-R64 PolarHBondContact O-N 3.29Å; S61-V65 WeakPolarHBondContact O-CB 3.4Å; S61-V65 WeakPolarHBondContact O-CG2 3.43Å; S61-V65 PolarHBondContact O-N 3.34Å
62H98.3Very high94.5Very high112 Ų11252.5 Ų52.552%0.51928%0.276SS..Hα-helixtrans-57.9-36.9178.872.6-90.9000112.7A60 A66A60-H62 VanDerWaalsContact C-N 3.29Å; A60-H62 PolarHBondContact O-N 3.49Å; H62-A66 VanDerWaalsContact O-CB 3.24Å; H62-A66 WeakPolarHBondContact O-CB 3.32Å; H62-A66 PolarHBondContact O-N 3.01Å
63H98.6Very high94.7Very high33 Ų3354 Ų5415%0.15328%0.279CS..Hα-helixtrans-67.8-42.6173.5-66.8-49.2000111.7A60 S61 A66 M67 Y226 H230 L232A60-H63 WeakPolarHBondContact O-CB 3.47Å; A60-H63 PolarHBondContact O-N 3.3Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 3.45Å; H63-A66 PolarHBondContact O-N 3.17Å; H63-M67 HydrophobicContact CB-CE 4.43Å; H63-M67 WeakPolarHBondContact O-CB 3.26Å; H63-M67 WeakPolarHBondContact O-CE 3.13Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.35Å; H63-M67 PolarHBondContact O-N 3.35Å; H63-Y226 HydrophobicContact CB-CE1 4.11Å; H63-Y226 AromaticContact ND1-CE1 3.82Å; H63-Y226 AromaticContact ND1-CZ 3.79Å; H63-Y226 PolarHBondContact ND1-OH 2.67Å; H63-H230 AromaticContact CE1-CD2 3.78Å; H63-H230 AromaticContact ND1-CD2 3.94Å; H63-L232 HydrophobicContact CB-CD1 3.92Å
64R98.8Very high95.2Very high0 Ų055.9 Ų55.90%030%0.301CS..Hα-helixtrans-67.6-40.8-178.6-63.3-177.2-69.4104.4-1.5111.7S14 V49 D51 A59 A60 S61 M67 A68S14-R64 VanDerWaalsContact O-CD 3.29Å; S14-R64 WeakPolarHBondContact O-CD 3.42Å; S14-R64 PolarHBondContact O-NH1 2.89Å; V49-R64 VanDerWaalsContact O-CZ 3.24Å; V49-R64 PolarHBondContact O-NH1 3.14Å; V49-R64 PolarHBondContact O-NH2 2.95Å; D51-R64 IonicContact OD1-CZ 3.31Å; D51-R64 IonicContact OD1-NH2 2.87Å; D51-R64 PolarHBondContact OD1-NH2 3.45Å; A59-R64 HydrophobicContact CB-CG 4.22Å; A59-R64 VanDerWaalsContact O-CD 3.31Å; A59-R64 WeakPolarHBondContact O-CD 3.38Å; A59-R64 PolarHBondContact O-NE 3.24Å; A60-R64 PolarHBondContact O-N 3Å; S61-R64 VanDerWaalsContact CA-NH2 3.32Å; S61-R64 PolarHBondContact O-N 3.29Å; R64-M67 HydrophobicContact CG-CE 4.2Å; R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.66Å
65V98.8Very high96.2Very high16 Ų1654.1 Ų54.110%0.09728%0.278CS..Hα-helixtrans-62.7-45.5172.1172.10000110.8P48 S61 A68 R69 V80 P82P48-V65 HydrophobicContact CB-CG2 4.17Å; P48-V65 HydrophobicContact CG-CG2 3.92Å; S61-V65 WeakPolarHBondContact O-CB 3.4Å; S61-V65 WeakPolarHBondContact O-CG2 3.43Å; S61-V65 PolarHBondContact O-N 3.34Å; V65-A68 PolarHBondContact O-N 3.43Å; V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 PolarHBondContact O-N 3.36Å; V65-V80 HydrophobicContact CG1-CG2 4.28Å; V65-P82 HydrophobicContact CG1-CB 4.1Å; V65-P82 HydrophobicContact CG2-CB 4.09Å
66A98.9Very high96.9Very high27 Ų2757.2 Ų57.222%0.22330%0.299CS..Hα-helixtrans-61.8-46.1177.600000112H62 H63 A68 R69 L70 Y226H62-A66 VanDerWaalsContact O-CB 3.24Å; H62-A66 WeakPolarHBondContact O-CB 3.32Å; H62-A66 PolarHBondContact O-N 3.01Å; H63-A66 PolarHBondContact O-N 3.17Å; A66-A68 PolarHBondContact O-N 3.05Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.49Å; A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 2.88Å; A66-Y226 HydrophobicContact CB-CE1 4.33Å; A66-Y226 HydrophobicContact CB-CE2 3.83Å
67M98.9Very high97.7Very high0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-61.9-41.7175.6-73.3-174.2-68.400112.3P17 I18 H63 R64 L70 A71 V223 Y226 I227 L232 Y233P17-M67 HydrophobicContact CB-CE 3.96Å; P17-M67 HydrophobicContact CB-SD 3.73Å; I18-M67 HydrophobicContact CG2-CB 4.34Å; H63-M67 HydrophobicContact CB-CE 4.43Å; H63-M67 WeakPolarHBondContact O-CB 3.26Å; H63-M67 WeakPolarHBondContact O-CE 3.13Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.35Å; H63-M67 PolarHBondContact O-N 3.35Å; R64-M67 HydrophobicContact CG-CE 4.2Å; M67-L70 PolarHBondContact O-N 2.74Å; M67-A71 WeakPolarHBondContact O-CB 3.39Å; M67-A71 PolarHBondContact O-N 3.19Å; M67-V223 HydrophobicContact CB-CG1 4.03Å; M67-V223 HydrophobicContact CB-CG2 4.46Å; M67-V223 HydrophobicContact CG-CG1 3.94Å; M67-V223 WeakPolarHBondContact O-CG2 3.08Å; M67-V223 HydrophobicContact SD-CG1 3.84Å; M67-Y226 HydrophobicContact CG-CD1 3.36Å; M67-Y226 HydrophobicContact CG-CE1 3.84Å; M67-Y226 HydrophobicContact CG-CG 4.1Å; M67-Y226 HydrophobicContact SD-CD1 4.09Å; M67-I227 HydrophobicContact SD-CD1 3.95Å; M67-I227 HydrophobicContact SD-CG1 3.56Å; M67-I227 VanDerWaalsContact SD-CG1 3.56Å; M67-L232 HydrophobicContact CE-CD1 4.34Å; M67-L232 HydrophobicContact SD-CD1 4.39Å; M67-Y233 HydrophobicContact CE-CE2 4.3Å; M67-Y233 WeakPolarHBondContact CE-OH 3.13Å; M67-Y233 HydrophobicContact SD-CE2 4.4Å
68A98.8Very high98.1Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-62.5-42174.600000111.6I18 I46 R64 V65 A66 L70 A71 L72 V80I18-A68 HydrophobicContact CD1-CB 4.19Å; I46-A68 HydrophobicContact CG2-CB 4.13Å; R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.66Å; V65-A68 PolarHBondContact O-N 3.43Å; A66-A68 PolarHBondContact O-N 3.05Å; A68-L70 PolarHBondContact O-N 3.01Å; A68-A71 PolarHBondContact O-N 3.3Å; A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 WeakPolarHBondContact O-CG 3.4Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-L72 VanDerWaalsContact O-N 3.14Å; A68-V80 HydrophobicContact CB-CB 4.12Å; A68-V80 HydrophobicContact CB-CG2 3.82Å
69R98.8Very high98.4Very high148 Ų14850.2 Ų50.256%0.55826%0.26SS*.Hα-helixtrans-61.2-44.8175.7-166.8177.8-64.7-107.3-0112.1V65 A66 L72 Q73 V80V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 PolarHBondContact O-N 3.36Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.49Å; R69-L72 PolarHBondContact O-N 3.13Å; R69-Q73 PolarHBondContact O-N 3.06Å; R69-V80 HydrophobicContact CB-CG1 3.91Å; R69-V80 HydrophobicContact CG-CG1 4.34Å
70L98.8Very high98.5Very high45 Ų4550.2 Ų50.224%0.23626%0.259CS..Hα-helixtrans-63.2-42.1176.4-71170.1000112A66 M67 A68 L72 Q73 A222 Y226A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 2.88Å; M67-L70 PolarHBondContact O-N 2.74Å; A68-L70 PolarHBondContact O-N 3.01Å; L70-L72 PolarHBondContact O-N 2.79Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.2Å; L70-A222 HydrophobicContact CB-CB 4.12Å; L70-Y226 HydrophobicContact CD1-CD2 3.58Å; L70-Y226 HydrophobicContact CD1-CG 3.79Å
71A98.8Very high98.6Very high6 Ų649.7 Ų49.75%0.0525%0.251CS..Hα-helixtrans-62.4-25.9176.800000113.5I18 L23 M67 A68 P220 V223I18-A71 HydrophobicContact CD1-CB 3.95Å; I18-A71 HydrophobicContact CG1-CB 4.46Å; I18-A71 HydrophobicContact CG2-CB 3.7Å; L23-A71 HydrophobicContact CD1-CB 4.46Å; M67-A71 WeakPolarHBondContact O-CB 3.39Å; M67-A71 PolarHBondContact O-N 3.19Å; A68-A71 PolarHBondContact O-N 3.3Å; A71-P220 HydrophobicContact CB-CG 3.86Å; A71-V223 HydrophobicContact CB-CG2 3.87Å
72L98.8Very high98.6Very high13 Ų1350 Ų507%0.06825%0.253CS..THydrogen-bonded Turntrans-98.43.2-175.8-66.6177.1000114L23 I46 A68 R69 L70 T74 S75 I78 R79 V80L23-L72 HydrophobicContact CD2-CD2 3.64Å; I46-L72 HydrophobicContact CD1-CD1 4.12Å; I46-L72 HydrophobicContact CD1-CD2 4.28Å; I46-L72 HydrophobicContact CD1-CG 4.49Å; A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 WeakPolarHBondContact O-CG 3.4Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-L72 VanDerWaalsContact O-N 3.14Å; R69-L72 PolarHBondContact O-N 3.13Å; L70-L72 PolarHBondContact O-N 2.79Å; L72-T74 PolarHBondContact O-N 3.33Å; L72-T74 VanDerWaalsContact O-N 3.1Å; L72-S75 PolarHBondContact O-N 3.27Å; L72-I78 HydrophobicContact CD1-CG2 3.97Å; L72-I78 HydrophobicContact CD2-CB 3.78Å; L72-I78 HydrophobicContact CD2-CD1 4.44Å; L72-I78 HydrophobicContact CD2-CG2 3.65Å; L72-I78 HydrophobicContact CG-CG2 4.47Å; L72-R79 VanDerWaalsContact CD1-C 3.47Å; L72-V80 HydrophobicContact CD1-CB 4.24Å
73Q98.3Very high98.6Very high138 Ų13847.2 Ų47.265%0.64524%0.238SC*.THydrogen-bonded Turntrans-58.7-25.9-179.6-74.7179.2-35.200113.8R69 L70R69-Q73 PolarHBondContact O-N 3.06Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.2Å
74T98.1Very high98.6Very high140 Ų14045.8 Ų45.886%0.85923%0.231SC*.THydrogen-bonded Turntrans-101.35.5178.763.30000113L72L72-T74 PolarHBondContact O-N 3.33Å; L72-T74 VanDerWaalsContact O-N 3.1Å
75S98.4Very high98.6Very high31 Ų3146.3 Ų46.322%0.21724%0.235CC..  trans-94.6134.5174.5-173.60000109.5L72 W77 I78L72-S75 PolarHBondContact O-N 3.27Å; S75-W77 PolarHBondContact OG-N 3.16Å; S75-I78 WeakPolarHBondContact OG-CB 3.46Å; S75-I78 WeakPolarHBondContact OG-CG1 3.42Å; S75-I78 PolarHBondContact OG-N 3.06Å; S75-I78 VanDerWaalsContact OG-N 3.11Å
76D98Very high98.6Very high150 Ų15052.1 Ų52.180%0.80226%0.261SS*.SBendtrans-94.1-6.8176.459.1-6.6000113.2
77W98.5Very high98.6Very high26 Ų2653.5 Ų53.510%0.09826%0.263CS..SBendtrans-136.5-13.3-170.475.9-78.9000115L9 F26 E27 R30 V41 Q43 G44 S75L9-W77 HydrophobicContact CD1-CH2 4.18Å; L9-W77 HydrophobicContact CD1-CZ3 4.31Å; F26-W77 HydrophobicContact CB-CH2 3.64Å; F26-W77 HydrophobicContact CB-CZ2 3.64Å; F26-W77 AromaticContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CZ2 4.49Å; F26-W77 HydrophobicContact CD1-CZ3 4.16Å; F26-W77 HydrophobicContact CG-CH2 4.21Å; F26-W77 WeakPolarHBondContact O-CH2 3.29Å; E27-W77 PolarHBondContact OE1-NE1 2.91Å; R30-W77 HydrophobicContact CB-CH2 3.77Å; R30-W77 HydrophobicContact CB-CZ2 3.97Å; R30-W77 HydrophobicContact CB-CZ3 4.49Å; R30-W77 HydrophobicContact CG-CH2 4.43Å; R30-W77 HydrophobicContact CG-CZ2 4.5Å; R30-W77 VanDerWaalsContact CZ-NE1 3.26Å; V41-W77 HydrophobicContact CG1-CE3 4.06Å; V41-W77 HydrophobicContact CG1-CH2 4.31Å; V41-W77 HydrophobicContact CG1-CZ3 3.53Å; Q43-W77 CarbonylContact C-O 3.48Å; Q43-W77 WeakPolarHBondContact CA-O 3.38Å; G44-W77 VanDerWaalsContact N-CE3 3.35Å; G44-W77 PolarHBondContact N-O 3.07Å; S75-W77 PolarHBondContact OG-N 3.16Å
78I98.8Very high98.4Very high12 Ų1259.2 Ų59.26%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-108.5131.2179.6-48.8165000109.2F26 G44 I46 L72 S75F26-I78 HydrophobicContact CB-CD1 3.45Å; F26-I78 VanDerWaalsContact CB-CD1 3.45Å; F26-I78 HydrophobicContact CB-CG1 4.25Å; F26-I78 HydrophobicContact CD1-CD1 4.16Å; F26-I78 HydrophobicContact CD1-CG1 4.15Å; F26-I78 HydrophobicContact CD1-CG2 4.27Å; F26-I78 HydrophobicContact CD2-CD1 4.28Å; F26-I78 HydrophobicContact CE1-CG2 4.18Å; F26-I78 HydrophobicContact CE2-CG2 4.5Å; F26-I78 HydrophobicContact CG-CD1 3.72Å; F26-I78 HydrophobicContact CG-CG1 4.23Å; F26-I78 HydrophobicContact CG-CG2 4.46Å; F26-I78 HydrophobicContact CZ-CG2 4.29Å; G44-I78 WeakPolarHBondContact O-CA 3.35Å; I46-I78 HydrophobicContact CD1-CG2 4.37Å; I46-I78 HydrophobicContact CG1-CG2 4.12Å; L72-I78 HydrophobicContact CD1-CG2 3.97Å; L72-I78 HydrophobicContact CD2-CB 3.78Å; L72-I78 HydrophobicContact CD2-CD1 4.44Å; L72-I78 HydrophobicContact CD2-CG2 3.65Å; L72-I78 HydrophobicContact CG-CG2 4.47Å; S75-I78 WeakPolarHBondContact OG-CB 3.46Å; S75-I78 WeakPolarHBondContact OG-CG1 3.42Å; S75-I78 PolarHBondContact OG-N 3.06Å; S75-I78 VanDerWaalsContact OG-N 3.11Å
79R98.5Very high98.3Very high88 Ų8865.6 Ų65.633%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-121.8159.817365.3178.7-176.786.4-0.4111.5Q43 G44 I45 I46 L72 D81Q43-R79 VanDerWaalsContact NE2-CD 3.3Å; G44-R79 PolarHBondContact O-N 3.09Å; I45-R79 CarbonylContact C-O 3.34Å; I45-R79 WeakPolarHBondContact CA-O 3.5Å; I45-R79 HydrophobicContact CG1-CG 4.49Å; I46-R79 PolarHBondContact N-O 3.03Å; L72-R79 VanDerWaalsContact CD1-C 3.47Å; R79-D81 IonicContact CZ-OD2 3.53Å; R79-D81 IonicContact NH1-OD2 3.52Å; R79-D81 PolarHBondContact NH1-OD2 3.31Å; R79-D81 IonicContact NH2-OD2 3.93Å; R79-D81 PolarHBondContact NH2-OD2 2.86Å
80V98.8Very high98.2Very high16 Ų1663.3 Ų63.310%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-91.7139.416562.70000109.3I46 P48 V65 A68 R69 L72I46-V80 HydrophobicContact CG2-CG2 4.38Å; I46-V80 WeakPolarHBondContact O-CA 3.47Å; P48-V80 HydrophobicContact CG-CG2 3.96Å; V65-V80 HydrophobicContact CG1-CG2 4.28Å; A68-V80 HydrophobicContact CB-CB 4.12Å; A68-V80 HydrophobicContact CB-CG2 3.82Å; R69-V80 HydrophobicContact CB-CG1 3.91Å; R69-V80 HydrophobicContact CG-CG1 4.34Å; L72-V80 HydrophobicContact CD1-CB 4.24Å
81D98.7Very high98.1Very high23 Ų2362.9 Ų62.912%0.12332%0.316CS..  trans-120119.3170.7-160-49.6000109.4I45 I46 P48 R79 W83 H100I45-D81 HydrophobicContact CG2-CB 3.69Å; I46-D81 PolarHBondContact O-N 2.86Å; P48-D81 WeakPolarHBondContact CD-O 3.16Å; R79-D81 IonicContact CZ-OD2 3.53Å; R79-D81 IonicContact NH1-OD2 3.52Å; R79-D81 PolarHBondContact NH1-OD2 3.31Å; R79-D81 IonicContact NH2-OD2 3.93Å; R79-D81 PolarHBondContact NH2-OD2 2.86Å; D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 VanDerWaalsContact OD1-CB 3.24Å; D81-W83 WeakPolarHBondContact OD1-CB 3.39Å; D81-W83 PolarHBondContact OD1-N 2.91Å; D81-H100 VanDerWaalsContact CG-CE1 3.47Å; D81-H100 IonicContact OD1-CE1 3.26Å; D81-H100 IonicContact OD2-CE1 2.62Å; D81-H100 PolarHBondContact OD2-CE1 2.9Å; D81-H100 IonicContact OD2-ND1 3.4Å
82P98.6Very high98.1Very high26 Ų2663.9 Ų63.917%0.16932%0.32CS..  trans-83.4-3.7-177.635.7-36.4000113.5V65 E84 S85 E86V65-P82 HydrophobicContact CG1-CB 4.1Å; V65-P82 HydrophobicContact CG2-CB 4.09Å; P82-E84 VanDerWaalsContact C-N 3.32Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å; P82-S85 CarbonylContact O-C 3.6Å; P82-S85 WeakPolarHBondContact O-CA 3.22Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 2.96Å; P82-S85 PolarHBondContact O-OG 3.3Å; P82-E86 HydrophobicContact CB-CG 4.14Å; P82-E86 WeakPolarHBondContact CB-OE1 3.28Å; P82-E86 VanDerWaalsContact CG-OE1 3.3Å; P82-E86 WeakPolarHBondContact CG-OE1 3.19Å; P82-E86 WeakPolarHBondContact O-CG 3.42Å; P82-E86 PolarHBondContact O-N 3.4Å
83W98.7Very high98.1Very high54 Ų5464.3 Ų64.321%0.20532%0.323CS..Hα-helixtrans-51-46.5-170.517687.3000113.4D81 S85 E86 Q87 M91 V96 H99D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 VanDerWaalsContact OD1-CB 3.24Å; D81-W83 WeakPolarHBondContact OD1-CB 3.39Å; D81-W83 PolarHBondContact OD1-N 2.91Å; W83-S85 VanDerWaalsContact C-N 3.3Å; W83-S85 PolarHBondContact O-N 2.89Å; W83-E86 PolarHBondContact O-N 3.32Å; W83-Q87 HydrophobicContact CH2-CG 4.45Å; W83-Q87 HydrophobicContact CZ2-CG 4.4Å; W83-Q87 WeakPolarHBondContact O-CG 3.29Å; W83-Q87 PolarHBondContact O-N 3.36Å; W83-Q87 PolarHBondContact O-NE2 3.25Å; W83-M91 HydrophobicContact CH2-CE 3.83Å; W83-V96 HydrophobicContact CE3-CG1 4.44Å; W83-V96 HydrophobicContact CZ3-CB 4.39Å; W83-V96 HydrophobicContact CZ3-CG1 4.29Å; W83-V96 HydrophobicContact CZ3-CG2 4.25Å; W83-H99 AromaticContact CD1-CE1 3.53Å; W83-H99 AromaticContact CD1-NE2 3.51Å; W83-H99 HydrophobicContact CD2-CB 4.42Å; W83-H99 AromaticContact CD2-CD2 3.3Å; W83-H99 AromaticContact CD2-CE1 3.81Å; W83-H99 AromaticContact CD2-CG 3.61Å; W83-H99 AromaticContact CD2-ND1 3.91Å; W83-H99 AromaticContact CD2-NE2 3.46Å; W83-H99 AromaticContact CE2-CD2 3.66Å; W83-H99 AromaticContact CE2-CE1 3.54Å; W83-H99 AromaticContact CE2-CG 3.48Å; W83-H99 VanDerWaalsContact CE2-CG 3.48Å; W83-H99 AromaticContact CE2-ND1 3.4Å; W83-H99 AromaticContact CE2-NE2 3.72Å; W83-H99 HydrophobicContact CE3-CB 4.13Å; W83-H99 AromaticContact CE3-CD2 3.46Å; W83-H99 VanDerWaalsContact CE3-CD2 3.46Å; W83-H99 AromaticContact CE3-CG 3.75Å; W83-H99 AromaticContact CG-CD2 3.71Å; W83-H99 AromaticContact CG-CE1 3.82Å; W83-H99 AromaticContact CG-NE2 3.36Å; W83-H99 HydrophobicContact CH2-CB 3.52Å; W83-H99 AromaticContact CH2-CG 3.69Å; W83-H99 HydrophobicContact CZ2-CB 3.83Å; W83-H99 AromaticContact CZ2-CG 3.54Å; W83-H99 AromaticContact CZ2-ND1 3.58Å; W83-H99 HydrophobicContact CZ3-CB 3.7Å; W83-H99 AromaticContact CZ3-CD2 3.96Å; W83-H99 AromaticContact CZ3-CG 3.8Å; W83-H99 AromaticContact NE1-CE1 3.33Å; W83-H99 PolarHBondContact NE1-CE1 2.77Å; W83-H99 VanDerWaalsContact NE1-CE1 3.33Å; W83-H99 AromaticContact NE1-ND1 3.6Å; W83-H99 AromaticContact NE1-NE2 3.7Å
84E98.7Very high98.1Very high3 Ų357.8 Ų57.81%0.01429%0.293CS..Hα-helixtrans-59.5-42.3177.6179.5-177.2168.700111.7S47 V49 N50 P82 E86 Q87 V96S47-E84 WeakPolarHBondContact CB-OE2 3.2Å; S47-E84 WeakPolarHBondContact OG-CB 3.31Å; S47-E84 PolarHBondContact OG-OE2 3.14Å; V49-E84 WeakPolarHBondContact CA-OE1 3.46Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.31Å; N50-E84 PolarHBondContact ND2-O 3.46Å; P82-E84 VanDerWaalsContact C-N 3.32Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å; E84-Q87 PolarHBondContact O-N 2.99Å; E84-V96 HydrophobicContact CB-CG1 4.3Å; E84-V96 HydrophobicContact CB-CG2 4.3Å; E84-V96 HydrophobicContact CG-CG2 3.87Å
85S98.3Very high98.1Very high11 Ų1154.6 Ų54.68%0.07727%0.267CS..Hα-helixtrans-73.7-23.8-178.772.30000113.9P48 N50 P82 W83P48-S85 WeakPolarHBondContact O-CB 3.46Å; P48-S85 PolarHBondContact O-N 3.49Å; N50-S85 PolarHBondContact ND2-O 3.26Å; N50-S85 VanDerWaalsContact ND2-O 3.11Å; P82-S85 CarbonylContact O-C 3.6Å; P82-S85 WeakPolarHBondContact O-CA 3.22Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 2.96Å; P82-S85 PolarHBondContact O-OG 3.3Å; W83-S85 VanDerWaalsContact C-N 3.3Å; W83-S85 PolarHBondContact O-N 2.89Å
86E98.3Very high98.1Very high137 Ų13753.1 Ų53.164%0.6426%0.257SS*.Hα-helixtrans-86-7.3179.3-71.1172.8174.900113P82 W83 E84P82-E86 HydrophobicContact CB-CG 4.14Å; P82-E86 WeakPolarHBondContact CB-OE1 3.28Å; P82-E86 VanDerWaalsContact CG-OE1 3.3Å; P82-E86 WeakPolarHBondContact CG-OE1 3.19Å; P82-E86 WeakPolarHBondContact O-CG 3.42Å; P82-E86 PolarHBondContact O-N 3.4Å; W83-E86 PolarHBondContact O-N 3.32Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å
87Q98.4Very high98.2Very high57 Ų5746 Ų4627%0.26622%0.218SC..SBendtrans-64.8153.3174.1-58.6-47.7-69.400111.5N50 W83 E84 Q89 M91N50-Q87 PolarHBondContact ND2-O 3.25Å; W83-Q87 HydrophobicContact CH2-CG 4.45Å; W83-Q87 HydrophobicContact CZ2-CG 4.4Å; W83-Q87 WeakPolarHBondContact O-CG 3.29Å; W83-Q87 PolarHBondContact O-N 3.36Å; W83-Q87 PolarHBondContact O-NE2 3.25Å; E84-Q87 PolarHBondContact O-N 2.99Å; Q87-Q89 PolarHBondContact O-N 3.01Å; Q87-M91 HydrophobicContact CB-CG 4.11Å; Q87-M91 HydrophobicContact CG-CG 3.84Å
88T96Very high98.2Very high119 Ų11949.3 Ų49.373%0.7323%0.231SC*.SBendtrans-71.2-17.7177.752.10000113.1N52N52-T88 PolarHBondContact ND2-O 2.8Å
89Q95.9Very high98.1Very high135 Ų13550.8 Ų50.863%0.63124%0.237SC*.SBendtrans-137.1161.9-175.9-33.5-172.9-7.600109.9Q87Q87-Q89 PolarHBondContact O-N 3.01Å
90W96.7Very high98.1Very high99 Ų9946.8 Ų46.838%0.37522%0.222SC..  trans-61.8142.5166.7171.871.2000111.3Y53 E92Y53-W90 AromaticContact CD2-CD1 3.5Å; Y53-W90 HydrophobicContact CD2-CD2 4.37Å; Y53-W90 AromaticContact CD2-CE2 3.89Å; Y53-W90 HydrophobicContact CD2-CG 4.13Å; Y53-W90 AromaticContact CD2-NE1 3.33Å; Y53-W90 VanDerWaalsContact CD2-NE1 3.33Å; Y53-W90 AromaticContact CE2-NE1 3.9Å; W90-E92 HydrophobicContact CH2-CB 4.38Å; W90-E92 HydrophobicContact CH2-CG 3.66Å; W90-E92 HydrophobicContact CZ2-CG 4.41Å; W90-E92 HydrophobicContact CZ3-CG 3.85Å
91M97.4Very high98Very high36 Ų3648.9 Ų48.918%0.17723%0.231CC..  trans-116.7131.9-178.6-66.5-65.8-83.600110.6W83 Q87 K95 V96W83-M91 HydrophobicContact CH2-CE 3.83Å; Q87-M91 HydrophobicContact CB-CG 4.11Å; Q87-M91 HydrophobicContact CG-CG 3.84Å; M91-K95 HydrophobicContact CE-CB 3.82Å; M91-K95 HydrophobicContact CE-CD 3.86Å; M91-K95 HydrophobicContact CE-CG 4.49Å; M91-K95 HydrophobicContact SD-CD 4.32Å; M91-V96 HydrophobicContact CB-CG2 4.07Å
92E98Very high97.9Very high28 Ų2850.9 Ų50.913%0.13125%0.247CC..  trans-61140.5168.8-62.9101.6133.400110.8W90 V94 K95 V96 K149 H152W90-E92 HydrophobicContact CH2-CB 4.38Å; W90-E92 HydrophobicContact CH2-CG 3.66Å; W90-E92 HydrophobicContact CZ2-CG 4.41Å; W90-E92 HydrophobicContact CZ3-CG 3.85Å; E92-V94 HydrophobicContact CB-CG1 4.32Å; E92-V94 PolarHBondContact O-N 2.89Å; E92-V94 VanDerWaalsContact O-N 3.08Å; E92-K95 WeakPolarHBondContact O-CA 3.5Å; E92-K95 WeakPolarHBondContact O-CB 3.24Å; E92-K95 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.77Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.31Å; E92-K95 IonicContact OE2-NZ 3.62Å; E92-K95 PolarHBondContact OE2-NZ 3.48Å; E92-V96 PolarHBondContact O-N 3.46Å; E92-K149 IonicContact OE1-NZ 3.6Å; E92-K149 PolarHBondContact OE1-NZ 3.48Å; E92-H152 IonicContact OE1-CE1 2.97Å
93T98.4Very high97.7Very high22 Ų2253 Ų5314%0.13525%0.254CS..Hα-helixtrans-52.5-36.5-177.1-54.80000113.8C12 K95 V96 L97 L132C12-T93 HydrophobicContact CB-CG2 4.19Å; T93-K95 PolarHBondContact O-N 3.01Å; T93-V96 WeakPolarHBondContact O-CB 3.29Å; T93-V96 PolarHBondContact O-N 3.03Å; T93-V96 VanDerWaalsContact O-N 3.14Å; T93-L97 HydrophobicContact CG2-CD1 4.33Å; T93-L97 PolarHBondContact O-N 3.01Å; T93-L132 HydrophobicContact CG2-CD1 3.73Å; T93-L132 HydrophobicContact CG2-CD2 4.03Å
94V98.6Very high97.4Very high1 Ų151 Ų511%0.00625%0.248CC..Hα-helixtrans-60.5-33.4176.271.50000112.4E92 L97 R98 H152 E155 I156 F160E92-V94 HydrophobicContact CB-CG1 4.32Å; E92-V94 PolarHBondContact O-N 2.89Å; E92-V94 VanDerWaalsContact O-N 3.08Å; V94-L97 PolarHBondContact O-N 2.9Å; V94-R98 VanDerWaalsContact O-CG 3.29Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.45Å; V94-H152 HydrophobicContact CB-CB 4.3Å; V94-H152 HydrophobicContact CG1-CB 3.99Å; V94-E155 HydrophobicContact CG2-CB 4.04Å; V94-E155 HydrophobicContact CG2-CG 3.82Å; V94-I156 HydrophobicContact CB-CD1 4.26Å; V94-I156 HydrophobicContact CB-CG1 4.03Å; V94-I156 HydrophobicContact CG2-CG1 4.14Å; V94-F160 HydrophobicContact CG2-CE2 4.31Å
95K98.6Very high97Very high73 Ų7355.4 Ų55.432%0.31727%0.271SS..Hα-helixtrans-72.4-35.7177-62.9178.1177.4165.60111.4M91 E92 T93 R98 H99M91-K95 HydrophobicContact CE-CB 3.82Å; M91-K95 HydrophobicContact CE-CD 3.86Å; M91-K95 HydrophobicContact CE-CG 4.49Å; M91-K95 HydrophobicContact SD-CD 4.32Å; E92-K95 WeakPolarHBondContact O-CA 3.5Å; E92-K95 WeakPolarHBondContact O-CB 3.24Å; E92-K95 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.77Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.31Å; E92-K95 IonicContact OE2-NZ 3.62Å; E92-K95 PolarHBondContact OE2-NZ 3.48Å; T93-K95 PolarHBondContact O-N 3.01Å; K95-R98 PolarHBondContact O-N 2.75Å; K95-H99 PolarHBondContact O-N 3.3Å
96V98.8Very high96.5Very high0 Ų062.7 Ų62.70%030%0.297CS..Hα-helixtrans-65.4-42.6174-1700000110.6L10 W83 E84 M91 E92 T93 H99 H100L10-V96 HydrophobicContact CD2-CG1 4.17Å; W83-V96 HydrophobicContact CE3-CG1 4.44Å; W83-V96 HydrophobicContact CZ3-CB 4.39Å; W83-V96 HydrophobicContact CZ3-CG1 4.29Å; W83-V96 HydrophobicContact CZ3-CG2 4.25Å; E84-V96 HydrophobicContact CB-CG1 4.3Å; E84-V96 HydrophobicContact CB-CG2 4.3Å; E84-V96 HydrophobicContact CG-CG2 3.87Å; M91-V96 HydrophobicContact CB-CG2 4.07Å; E92-V96 PolarHBondContact O-N 3.46Å; T93-V96 WeakPolarHBondContact O-CB 3.29Å; T93-V96 PolarHBondContact O-N 3.03Å; T93-V96 VanDerWaalsContact O-N 3.14Å; V96-H99 PolarHBondContact O-N 3.23Å; V96-H100 PolarHBondContact O-CD2 3.06Å; V96-H100 PolarHBondContact O-N 2.96Å
97L98.8Very high95.6Very high0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-59.4-48172.2-76.8160.8000112L10 T93 V94 H99 H100 H101 L130 L132 I156 F160L10-L97 HydrophobicContact CB-CD2 4.48Å; L10-L97 HydrophobicContact CD2-CD2 3.69Å; L10-L97 HydrophobicContact CD2-CG 3.99Å; T93-L97 HydrophobicContact CG2-CD1 4.33Å; T93-L97 PolarHBondContact O-N 3.01Å; V94-L97 PolarHBondContact O-N 2.9Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.35Å; L97-H100 PolarHBondContact O-N 2.87Å; L97-H101 VanDerWaalsContact O-CB 3.25Å; L97-H101 WeakPolarHBondContact O-CB 3.24Å; L97-H101 PolarHBondContact O-N 3.29Å; L97-L130 HydrophobicContact CB-CD2 4.45Å; L97-L130 HydrophobicContact CD2-CD2 3.84Å; L97-L130 HydrophobicContact CD2-CG 3.99Å; L97-L130 WeakPolarHBondContact O-CD2 3.5Å; L97-L132 HydrophobicContact CD1-CB 4.26Å; L97-L132 HydrophobicContact CD2-CB 4.25Å; L97-I156 HydrophobicContact CD1-CB 4.49Å; L97-I156 HydrophobicContact CD1-CG1 3.81Å; L97-I156 HydrophobicContact CD1-CG2 4.24Å; L97-F160 HydrophobicContact CB-CD1 4.07Å; L97-F160 HydrophobicContact CB-CD2 4Å; L97-F160 HydrophobicContact CB-CE1 3.92Å; L97-F160 HydrophobicContact CB-CE2 3.82Å; L97-F160 HydrophobicContact CB-CG 4.11Å; L97-F160 HydrophobicContact CB-CZ 3.78Å; L97-F160 HydrophobicContact CD1-CD2 4.03Å; L97-F160 HydrophobicContact CD1-CE2 4.5Å; L97-F160 HydrophobicContact CD1-CG 4.25Å; L97-F160 HydrophobicContact CD2-CB 4.3Å; L97-F160 HydrophobicContact CD2-CD1 4.3Å; L97-F160 HydrophobicContact CD2-CG 4.19Å; L97-F160 HydrophobicContact CG-CD2 4.48Å; L97-F160 HydrophobicContact CG-CG 4.43Å
98R98.6Very high94.4Very high96 Ų9660 Ų6036%0.36230%0.297SS..Hα-helixtrans-58.2-41.9176.2-72171-170.4162.40.5112.3V94 K95 S102 E155 F160V94-R98 VanDerWaalsContact O-CG 3.29Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.45Å; K95-R98 PolarHBondContact O-N 2.75Å; R98-S102 WeakPolarHBondContact O-CB 3.38Å; R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.94Å; R98-E155 IonicContact CZ-OE1 3.56Å; R98-E155 IonicContact CZ-OE2 2.67Å; R98-E155 IonicContact NE-OE1 3.62Å; R98-E155 PolarHBondContact NE-OE1 3.4Å; R98-E155 IonicContact NE-OE2 3.75Å; R98-E155 VanDerWaalsContact NH2-CD 3.3Å; R98-E155 IonicContact NH2-OE1 2.94Å; R98-E155 PolarHBondContact NH2-OE1 3.23Å; R98-E155 IonicContact NH2-OE2 3.74Å; R98-E155 PolarHBondContact NH2-OE2 3.42Å; R98-F160 HydrophobicContact CG-CE2 4.45Å; R98-F160 HydrophobicContact CG-CZ 3.91Å
99H98.4Very high93Very high42 Ų4256.7 Ų56.719%0.19428%0.278CS..Hα-helixtrans-60.5-56.3177.6169.571.4000111.2W83 K95 V96 L97 H101 S102 E103W83-H99 AromaticContact CD1-CE1 3.53Å; W83-H99 AromaticContact CD1-NE2 3.51Å; W83-H99 HydrophobicContact CD2-CB 4.42Å; W83-H99 AromaticContact CD2-CD2 3.3Å; W83-H99 AromaticContact CD2-CE1 3.81Å; W83-H99 AromaticContact CD2-CG 3.61Å; W83-H99 AromaticContact CD2-ND1 3.91Å; W83-H99 AromaticContact CD2-NE2 3.46Å; W83-H99 AromaticContact CE2-CD2 3.66Å; W83-H99 AromaticContact CE2-CE1 3.54Å; W83-H99 AromaticContact CE2-CG 3.48Å; W83-H99 VanDerWaalsContact CE2-CG 3.48Å; W83-H99 AromaticContact CE2-ND1 3.4Å; W83-H99 AromaticContact CE2-NE2 3.72Å; W83-H99 HydrophobicContact CE3-CB 4.13Å; W83-H99 AromaticContact CE3-CD2 3.46Å; W83-H99 VanDerWaalsContact CE3-CD2 3.46Å; W83-H99 AromaticContact CE3-CG 3.75Å; W83-H99 AromaticContact CG-CD2 3.71Å; W83-H99 AromaticContact CG-CE1 3.82Å; W83-H99 AromaticContact CG-NE2 3.36Å; W83-H99 HydrophobicContact CH2-CB 3.52Å; W83-H99 AromaticContact CH2-CG 3.69Å; W83-H99 HydrophobicContact CZ2-CB 3.83Å; W83-H99 AromaticContact CZ2-CG 3.54Å; W83-H99 AromaticContact CZ2-ND1 3.58Å; W83-H99 HydrophobicContact CZ3-CB 3.7Å; W83-H99 AromaticContact CZ3-CD2 3.96Å; W83-H99 AromaticContact CZ3-CG 3.8Å; W83-H99 AromaticContact NE1-CE1 3.33Å; W83-H99 PolarHBondContact NE1-CE1 2.77Å; W83-H99 VanDerWaalsContact NE1-CE1 3.33Å; W83-H99 AromaticContact NE1-ND1 3.6Å; W83-H99 AromaticContact NE1-NE2 3.7Å; K95-H99 PolarHBondContact O-N 3.3Å; V96-H99 PolarHBondContact O-N 3.23Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.35Å; H99-H101 VanDerWaalsContact C-N 3.3Å; H99-H101 PolarHBondContact O-N 3.31Å; H99-S102 WeakPolarHBondContact O-CB 3.39Å; H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 VanDerWaalsContact O-N 3.09Å; H99-E103 PolarHBondContact O-N 3.22Å
100H97.9Very high91.3Very high4 Ų458.8 Ų58.82%0.01929%0.288CS..Hα-helixtrans-65.1-33.3-178.8-72.9-56.3000113D81 V96 L97 S102 E103 L104 L130D81-H100 VanDerWaalsContact CG-CE1 3.47Å; D81-H100 IonicContact OD1-CE1 3.26Å; D81-H100 IonicContact OD2-CE1 2.62Å; D81-H100 PolarHBondContact OD2-CE1 2.9Å; D81-H100 IonicContact OD2-ND1 3.4Å; V96-H100 PolarHBondContact O-CD2 3.06Å; V96-H100 PolarHBondContact O-N 2.96Å; L97-H100 PolarHBondContact O-N 2.87Å; H100-S102 VanDerWaalsContact C-N 3.34Å; H100-E103 PolarHBondContact O-N 3.38Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.48Å; H100-L104 PolarHBondContact O-N 3.42Å; H100-L130 HydrophobicContact CB-CD2 3.78Å
101H96.9Very high89.4Confident60 Ų6059.8 Ų59.828%0.27830%0.298SS..Hα-helixtrans-65.1-39.5173.6-177.3-95.3000111.9L97 H99 E103 L104 L105 L130 F160L97-H101 VanDerWaalsContact O-CB 3.25Å; L97-H101 WeakPolarHBondContact O-CB 3.24Å; L97-H101 PolarHBondContact O-N 3.29Å; H99-H101 VanDerWaalsContact C-N 3.3Å; H99-H101 PolarHBondContact O-N 3.31Å; H101-E103 VanDerWaalsContact C-N 3.34Å; H101-L104 PolarHBondContact O-N 2.82Å; H101-L105 WeakPolarHBondContact O-CG 3.3Å; H101-L105 PolarHBondContact O-N 3.32Å; H101-L130 HydrophobicContact CB-CD2 3.97Å; H101-F160 HydrophobicContact CB-CE1 3.73Å; H101-F160 AromaticContact CG-CE1 3.99Å
102S96.2Very high86.9Confident65 Ų6566.8 Ų66.846%0.45533%0.33SS..Hα-helixtrans-64.9-39.2174.8-55.10000111.8R98 H99 H100 L105 R106R98-S102 WeakPolarHBondContact O-CB 3.38Å; R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.94Å; H99-S102 WeakPolarHBondContact O-CB 3.39Å; H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 VanDerWaalsContact O-N 3.09Å; H100-S102 VanDerWaalsContact C-N 3.34Å; S102-L105 PolarHBondContact O-N 2.88Å; S102-R106 WeakPolarHBondContact O-CB 3.49Å; S102-R106 PolarHBondContact O-N 2.94Å
103E94.6Very high84.4Confident71 Ų7168.1 Ų68.133%0.33235%0.352SS..Hα-helixtrans-65.7-38.7174.5-73.9-63.59900112.4H99 H100 H101 L105 R106 S107H99-E103 PolarHBondContact O-N 3.22Å; H100-E103 PolarHBondContact O-N 3.38Å; H101-E103 VanDerWaalsContact C-N 3.34Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-R106 IonicContact OE1-CZ 3.52Å; E103-R106 IonicContact OE1-NE 3.94Å; E103-R106 PolarHBondContact OE1-NE 2.71Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.39Å; E103-R106 IonicContact OE2-NE 3.99Å; E103-R106 IonicContact OE2-NH2 3.33Å; E103-R106 PolarHBondContact OE2-NH2 3.33Å; E103-S107 PolarHBondContact O-N 2.99Å
104L91.7Very high81.8Confident12 Ų1273.6 Ų73.66%0.06339%0.388CS..Hα-helixtrans-64.4-34.8174.5-71171.7000112.7V8 H100 H101 P108 L130V8-L104 HydrophobicContact CB-CD1 4Å; V8-L104 HydrophobicContact CG1-CD1 4.43Å; V8-L104 HydrophobicContact CG2-CD1 3.82Å; V8-L104 HydrophobicContact CG2-CD2 3.81Å; V8-L104 HydrophobicContact CG2-CG 4.49Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.48Å; H100-L104 PolarHBondContact O-N 3.42Å; H101-L104 PolarHBondContact O-N 2.82Å; L104-P108 WeakPolarHBondContact O-CA 3.41Å; L104-L130 HydrophobicContact CD1-CB 4.09Å; L104-L130 HydrophobicContact CD1-CD1 4.14Å
105L89.8Confident79.1Confident96 Ų9680.1 Ų80.150%0.50342%0.422SS..Hα-helixtrans-68.7-37.5173.3-71.9169.3000112.2H101 S102 E103 V127H101-L105 WeakPolarHBondContact O-CG 3.3Å; H101-L105 PolarHBondContact O-N 3.32Å; S102-L105 PolarHBondContact O-N 2.88Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; L105-V127 HydrophobicContact CD2-CB 4.26Å; L105-V127 HydrophobicContact CD2-CG1 3.55Å; L105-V127 HydrophobicContact CD2-CG2 3.82Å; L105-V127 HydrophobicContact CG-CG1 4.27Å
106R87.8Confident76.7Confident164 Ų16486.4 Ų86.462%0.61945%0.453SS*.Hα-helixtrans-77.4-33.8-178.2-169.3-177.567.873.42.8112.8S102 E103S102-R106 WeakPolarHBondContact O-CB 3.49Å; S102-R106 PolarHBondContact O-N 2.94Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-R106 IonicContact OE1-CZ 3.52Å; E103-R106 IonicContact OE1-NE 3.94Å; E103-R106 PolarHBondContact OE1-NE 2.71Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.39Å; E103-R106 IonicContact OE2-NE 3.99Å; E103-R106 IonicContact OE2-NH2 3.33Å; E103-R106 PolarHBondContact OE2-NH2 3.33Å
107S80.9Confident74Confident63 Ų6389.9 Ų89.944%0.44149%0.489SS..SBendtrans-144.174.1-173.5-67.10000109.5E103E103-S107 PolarHBondContact O-N 2.99Å
108P72.8Confident71.2Confident74 Ų7498.3 Ų98.348%0.48153%0.525SS..PPolyproline II helixtrans-60.7136.9179.323.8-31.9000109.5L104 Q110L104-P108 WeakPolarHBondContact O-CA 3.41Å; P108-Q110 PolarHBondContact O-N 2.89Å
109P66.4Low68.5Low49 Ų4999.1 Ų99.132%0.31855%0.553SS.*PPolyproline II helixtrans-58133.6178.220.1-29.6000110.5I42 M111 P128I42-P109 HydrophobicContact CD1-CB 4.31Å; I42-P109 HydrophobicContact CD1-CG 3.34Å; P109-M111 PolarHBondContact O-N 2.87Å; P109-P128 HydrophobicContact CG-CG 4.01Å
110Q60.8Low65.9Low180 Ų180104.5 Ų104.584%0.84158%0.582SS**PPolyproline II helixtrans-64.2119.6173.6-67.6-175.3-9.800108.2P108 E112P108-Q110 PolarHBondContact O-N 2.89Å; Q110-E112 PolarHBondContact O-N 3.16Å; Q110-E112 VanDerWaalsContact O-N 3.09Å
111M55.5Low63.2Low119 Ų119108.7 Ų108.759%0.58661%0.612SS**  trans-72.4101.1170.6-75.2-149.9-132.100108.4P109 G113 A125P109-M111 PolarHBondContact O-N 2.87Å; M111-G113 PolarHBondContact O-N 2.71Å; M111-G113 VanDerWaalsContact O-N 3.09Å; M111-A125 HydrophobicContact CE-CB 4.48Å
112E45.1Very low60.5Low183 Ų183112 Ų11286%0.85564%0.638SS**  trans-71.799.4164-71.5-167.3164.500108.3Q110Q110-E112 PolarHBondContact O-N 3.16Å; Q110-E112 VanDerWaalsContact O-N 3.09Å
113G45.4Very low58.2Low57 Ų57114.3 Ų114.359%0.58865%0.65SS**  trans-74.8143.6166.700000110.1M111 D115M111-G113 PolarHBondContact O-N 2.71Å; M111-G113 VanDerWaalsContact O-N 3.09Å; G113-D115 PolarHBondContact O-N 2.96Å
114P43.7Very low56Low136 Ų136117 Ų11788%0.88367%0.674SS**SBendtrans-77.372.3169.933.3-31.8000108.6
115D41.6Very low54.6Low138 Ų138119.4 Ų119.474%0.73870%0.696SS**  trans-155.995.5168.3-135.4-4.2000111.3G113 G117G113-D115 PolarHBondContact O-N 2.96Å; D115-G117 PolarHBondContact O-N 3Å; D115-G117 VanDerWaalsContact O-N 3.07Å
116H49.8Very low53.8Low205 Ų205118.1 Ų118.195%0.94970%0.698SS**THydrogen-bonded Turntrans-65.9101.7162.7-70.9-60.1000108.4
117G41.3Very low53.7Low74 Ų74113.7 Ų113.776%0.76369%0.689SS**THydrogen-bonded Turntrans133.211.7153.100000119.8D115D115-G117 PolarHBondContact O-N 3Å; D115-G117 VanDerWaalsContact O-N 3.07Å
118K39.5Very low54.2Low176 Ų176111 Ų11177%0.76567%0.671SS**  trans-132.8108.7165.6-85-178.1178.3171.50111.9L120K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 3.2Å
119A42.9Very low55.4Low113 Ų113110.5 Ų110.593%0.93466%0.662SS**  trans-61.190.7165.600000109.1
120L43.1Very low56.9Low155 Ų155108.2 Ų108.281%0.81265%0.647SS**  trans-78.5127.5162.3-81153.9000107.3K118K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 3.2Å
121S40.8Very low58.7Low92 Ų9299.7 Ų99.764%0.64361%0.607SS**  trans-43.3140.4172.749.30000111.8T123S121-T123 PolarHBondContact O-N 3.1Å
122P41Very low60.8Low129 Ų12994.3 Ų94.384%0.83858%0.581SS**  trans-70.593.3-178.529-31.8000109.3
123T46.9Very low63.3Low115 Ų11585.8 Ų85.871%0.70654%0.541SS*.  trans-55.6134152.535.30000107.1S121 A125S121-T123 PolarHBondContact O-N 3.1Å; T123-A125 PolarHBondContact O-N 3.14Å
124P50.5Low65.8Low127 Ų12783.5 Ų83.583%0.82552%0.516SS*.  trans-53.8110.9174.6-19.729.3000107.7A126P124-A126 PolarHBondContact O-N 2.64Å; P124-A126 VanDerWaalsContact O-N 3.09Å
125A61.4Low68.2Low63 Ų6377.1 Ų77.152%0.52148%0.475SS..PPolyproline II helixtrans-59.5121176.700000106.4M111 T123 V127M111-A125 HydrophobicContact CE-CB 4.48Å; T123-A125 PolarHBondContact O-N 3.14Å; A125-V127 PolarHBondContact O-N 3.28Å
126A72.9Confident70.7Confident68 Ų6870.5 Ų70.556%0.56244%0.44SS*.PPolyproline II helixtrans-53.4130.2175.900000108.3P6 P124P6-A126 WeakPolarHBondContact CG-O 3.43Å; P124-A126 PolarHBondContact O-N 2.64Å; P124-A126 VanDerWaalsContact O-N 3.09Å
127V84.7Confident72.7Confident71 Ų7163.3 Ų63.343%0.4341%0.408SS..PPolyproline II helixtrans-56.5129.1178.4177.40000108.1L105 A125 E129L105-V127 HydrophobicContact CD2-CB 4.26Å; L105-V127 HydrophobicContact CD2-CG1 3.55Å; L105-V127 HydrophobicContact CD2-CG2 3.82Å; L105-V127 HydrophobicContact CG-CG1 4.27Å; A125-V127 PolarHBondContact O-N 3.28Å; V127-E129 PolarHBondContact O-N 3.49Å
128P93.2Very high75.2Confident7 Ų762 Ų625%0.04539%0.385CS..PPolyproline II helixtrans-59.2136.6177.4-22.632.8000112P6 V8 I42 P109P6-P128 HydrophobicContact CB-CB 4.08Å; P6-P128 HydrophobicContact CB-CG 4.19Å; P6-P128 HydrophobicContact CG-CB 4.36Å; P6-P128 HydrophobicContact CG-CG 4.32Å; P6-P128 CarbonylContact O-C 3.49Å; P6-P128 VanDerWaalsContact O-CA 3.28Å; P6-P128 WeakPolarHBondContact O-CA 3.46Å; V8-P128 HydrophobicContact CG2-CB 4.09Å; I42-P128 HydrophobicContact CD1-CB 3.91Å; I42-P128 HydrophobicContact CD1-CG 3.65Å; P109-P128 HydrophobicContact CG-CG 4.01Å
129E96.9Very high77.9Confident63 Ų6353.6 Ų53.629%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-69.7138.5167.2-71.1-174.5-162.600109.6I5 P6 V7 V8 V127 K131I5-E129 HydrophobicContact CG2-CB 4.45Å; I5-E129 HydrophobicContact CG2-CG 3.82Å; P6-E129 PolarHBondContact O-N 3.22Å; V7-E129 CarbonylContact C-O 3.51Å; V7-E129 VanDerWaalsContact CA-O 3.3Å; V7-E129 WeakPolarHBondContact CA-O 3.4Å; V7-E129 HydrophobicContact CG2-CB 4.38Å; V8-E129 PolarHBondContact N-O 3.34Å; V127-E129 PolarHBondContact O-N 3.49Å; E129-K131 WeakPolarHBondContact OE2-CE 3.5Å; E129-K131 IonicContact OE2-NZ 2.74Å; E129-K131 PolarHBondContact OE2-NZ 2.75Å
130L98.4Very high80.4Confident2 Ų253 Ų531%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-101.9123.6171-178.267.8000109V8 L10 L97 H100 H101 L104 F160V8-L130 HydrophobicContact CB-CD1 3.87Å; V8-L130 HydrophobicContact CG1-CD1 3.76Å; L10-L130 HydrophobicContact CB-CD1 4.01Å; L97-L130 HydrophobicContact CB-CD2 4.45Å; L97-L130 HydrophobicContact CD2-CD2 3.84Å; L97-L130 HydrophobicContact CD2-CG 3.99Å; L97-L130 WeakPolarHBondContact O-CD2 3.5Å; H100-L130 HydrophobicContact CB-CD2 3.78Å; H101-L130 HydrophobicContact CB-CD2 3.97Å; L104-L130 HydrophobicContact CD1-CB 4.09Å; L104-L130 HydrophobicContact CD1-CD1 4.14Å; L130-F160 HydrophobicContact CB-CD1 4.38Å; L130-F160 HydrophobicContact CD2-CD1 4.37Å; L130-F160 CarbonylContact O-C 3.58Å; L130-F160 WeakPolarHBondContact O-CA 3.4Å; L130-F160 WeakPolarHBondContact O-CB 3.44Å; L130-F160 VanDerWaalsContact O-O 3.1Å
131K98.8Very high82.9Confident0 Ų047.5 Ų47.50%030%0.298CS..EExtended strand (participates in β ladder)trans-118.9141.3176.7-58.9-164.8179.6-59.70111.5V7 V8 L9 L10 E129 L133 F160 V163 N188V7-K131 HydrophobicContact CG1-CB 4.41Å; V7-K131 HydrophobicContact CG1-CD 4.25Å; V7-K131 HydrophobicContact CG1-CG 4.04Å; V8-K131 PolarHBondContact O-N 3.35Å; L9-K131 HydrophobicContact CD2-CB 4.23Å; L10-K131 PolarHBondContact N-O 2.88Å; E129-K131 WeakPolarHBondContact OE2-CE 3.5Å; E129-K131 IonicContact OE2-NZ 2.74Å; E129-K131 PolarHBondContact OE2-NZ 2.75Å; K131-L133 PolarHBondContact O-N 2.92Å; K131-F160 PolarHBondContact NZ-O 3.25Å; K131-V163 HydrophobicContact CB-CG2 4.06Å; K131-V163 HydrophobicContact CD-CG2 3.99Å; K131-N188 PolarHBondContact NZ-OD1 2.83Å
132L98.9Very high85.4Confident6 Ų643.8 Ų43.83%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-76.1120.1172.1-175.867.3000109.6L10 T93 L97 I156 G161 L162 V163L10-L132 CarbonylContact O-C 3.48Å; T93-L132 HydrophobicContact CG2-CD1 3.73Å; T93-L132 HydrophobicContact CG2-CD2 4.03Å; L97-L132 HydrophobicContact CD1-CB 4.26Å; L97-L132 HydrophobicContact CD2-CB 4.25Å; L132-I156 HydrophobicContact CB-CG2 4.45Å; L132-I156 HydrophobicContact CD2-CG2 3.9Å; L132-G161 PolarHBondContact N-O 2.94Å; L132-L162 HydrophobicContact CD2-CD1 4.27Å; L132-L162 CarbonylContact O-C 3.57Å; L132-L162 WeakPolarHBondContact O-CA 3.37Å; L132-V163 PolarHBondContact O-N 3.49Å
133L98.8Very high87.7Confident4 Ų441.2 Ų41.22%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-92126.1171.8173.459.9000109.9L9 L10 A11 L25 F26 A29 K131 V163 V165L9-L133 HydrophobicContact CB-CB 4.4Å; L10-L133 PolarHBondContact O-N 2.61Å; A11-L133 HydrophobicContact CB-CB 4.32Å; A11-L133 HydrophobicContact CB-CD2 4.42Å; A11-L133 HydrophobicContact CB-CG 4.46Å; L25-L133 HydrophobicContact CB-CD2 4.28Å; F26-L133 HydrophobicContact CB-CD2 4.23Å; F26-L133 HydrophobicContact CD1-CD2 3.57Å; F26-L133 HydrophobicContact CD2-CD2 3.77Å; F26-L133 HydrophobicContact CE1-CD2 3.76Å; F26-L133 HydrophobicContact CE2-CD2 3.94Å; F26-L133 HydrophobicContact CG-CD2 3.58Å; F26-L133 HydrophobicContact CZ-CD2 3.94Å; A29-L133 HydrophobicContact CB-CD1 3.48Å; A29-L133 VanDerWaalsContact CB-CD1 3.48Å; A29-L133 HydrophobicContact CB-CD2 4.36Å; K131-L133 PolarHBondContact O-N 2.92Å; L133-V163 WeakPolarHBondContact CA-O 3.19Å; L133-V163 HydrophobicContact CD1-CB 4.36Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; L133-V163 WeakPolarHBondContact CD1-O 3.44Å; L133-V165 HydrophobicContact CD1-CG2 4.01Å
134C97.3Very high89.8Confident9 Ų938.9 Ų38.96%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-149.5168.4174.871.80000113V138 V163 C164 V165C134-V138 HydrophobicContact CB-CB 3.76Å; C134-V138 HydrophobicContact CB-CG1 3.88Å; C134-V138 HydrophobicContact CB-CG2 4.13Å; C134-V163 PolarHBondContact N-O 3.34Å; C134-C164 WeakPolarHBondContact O-CA 3.33Å; C134-V165 PolarHBondContact O-N 2.71Å
135G94.4Very high91.5Very high2 Ų238.1 Ų38.12%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-85.8162.616800000111.9D137 V138 L139 V165G135-D137 VanDerWaalsContact C-OD1 3.23Å; G135-D137 VanDerWaalsContact CA-OD1 3.32Å; G135-D137 WeakPolarHBondContact CA-OD1 3.46Å; G135-D137 PolarHBondContact O-N 2.94Å; G135-D137 VanDerWaalsContact O-N 3.12Å; G135-V138 WeakPolarHBondContact O-CB 3.48Å; G135-V138 PolarHBondContact O-N 3.49Å; G135-L139 PolarHBondContact O-N 3.11Å; G135-V165 WeakPolarHBondContact CA-O 3.39Å
136A93.6Very high92.8Very high0 Ų043.1 Ų43.10%025%0.246CC..Hα-helixtrans-56.5-26.1176.200000114.6L139 K140 C164 V165 R167 H170 P172A136-L139 PolarHBondContact O-N 2.68Å; A136-K140 PolarHBondContact O-N 3.37Å; A136-K140 VanDerWaalsContact O-N 3.12Å; A136-C164 WeakPolarHBondContact CA-SG 3.3Å; A136-V165 PolarHBondContact N-O 3.31Å; A136-R167 HydrophobicContact CB-CB 4.31Å; A136-H170 HydrophobicContact CB-CB 3.54Å; A136-P172 HydrophobicContact CB-CG 3.72Å
137D91.8Very high93.7Very high54 Ų5444 Ų4429%0.28924%0.24SC..Hα-helixtrans-63.1-41.9172.758.2-44.6000112.3G135 K140 T141 R167 H170G135-D137 VanDerWaalsContact C-OD1 3.23Å; G135-D137 VanDerWaalsContact CA-OD1 3.32Å; G135-D137 WeakPolarHBondContact CA-OD1 3.46Å; G135-D137 PolarHBondContact O-N 2.94Å; G135-D137 VanDerWaalsContact O-N 3.12Å; D137-K140 WeakPolarHBondContact O-CB 3.25Å; D137-K140 PolarHBondContact O-N 3Å; D137-T141 VanDerWaalsContact O-CG2 3.28Å; D137-T141 WeakPolarHBondContact O-CG2 3.45Å; D137-T141 PolarHBondContact O-N 2.77Å; D137-R167 VanDerWaalsContact OD1-CD 3.24Å; D137-R167 WeakPolarHBondContact OD1-CD 3.28Å; D137-R167 IonicContact OD1-CZ 3.79Å; D137-R167 IonicContact OD1-NE 3.89Å; D137-R167 PolarHBondContact OD1-NE 2.81Å; D137-R167 IonicContact OD1-NH2 3.35Å; D137-R167 IonicContact OD2-CZ 2.85Å; D137-R167 IonicContact OD2-NE 3.99Å; D137-H170 WeakPolarHBondContact CA-NE2 3.47Å
138V93.7Very high94.3Very high45 Ų4543.1 Ų43.127%0.27323%0.229SC..Hα-helixtrans-67.8-43176.1176.70000110.9C134 G135 K140 T141 W148C134-V138 HydrophobicContact CB-CB 3.76Å; C134-V138 HydrophobicContact CB-CG1 3.88Å; C134-V138 HydrophobicContact CB-CG2 4.13Å; G135-V138 WeakPolarHBondContact O-CB 3.48Å; G135-V138 PolarHBondContact O-N 3.49Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 2.74Å; V138-T141 WeakPolarHBondContact O-CA 3.45Å; V138-T141 WeakPolarHBondContact O-CB 3.4Å; V138-T141 PolarHBondContact O-N 3.25Å; V138-T141 PolarHBondContact O-OG1 3.17Å; V138-W148 HydrophobicContact CG1-CZ2 4.46Å
139L95.6Very high94.5Very high0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-57.7-40.6177.5-177.462000111.5G135 A136 T141 F142 L162 C164 P172 Y175 I176 L182G135-L139 PolarHBondContact O-N 3.11Å; A136-L139 PolarHBondContact O-N 2.68Å; L139-T141 PolarHBondContact O-N 2.69Å; L139-F142 HydrophobicContact CD1-CD2 3.93Å; L139-F142 HydrophobicContact CD1-CE2 4.17Å; L139-F142 WeakPolarHBondContact O-CB 3.48Å; L139-F142 PolarHBondContact O-N 2.87Å; L139-L162 HydrophobicContact CD1-CD1 4.45Å; L139-L162 HydrophobicContact CD1-CD2 4.39Å; L139-C164 HydrophobicContact CD2-CB 4.3Å; L139-P172 HydrophobicContact CD2-CB 3.99Å; L139-Y175 HydrophobicContact CD2-CD2 4.47Å; L139-Y175 HydrophobicContact CG-CD2 4.41Å; L139-I176 HydrophobicContact CD2-CD1 4.47Å; L139-I176 HydrophobicContact CD2-CG1 4.26Å; L139-L182 HydrophobicContact CD1-CD1 3.91Å
140K95.9Very high94.5Very high101 Ų10150.6 Ų50.644%0.43927%0.265SS..Hα-helixtrans-58.8-36.1173.5-171.5-177.9-179.4177.90112.2A136 D137 V138 F142 Q143 Y175A136-K140 PolarHBondContact O-N 3.37Å; A136-K140 VanDerWaalsContact O-N 3.12Å; D137-K140 WeakPolarHBondContact O-CB 3.25Å; D137-K140 PolarHBondContact O-N 3Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 2.74Å; K140-F142 PolarHBondContact O-N 3.09Å; K140-Q143 PolarHBondContact O-N 3.37Å; K140-Q143 VanDerWaalsContact O-N 3.14Å; K140-Y175 HydrophobicContact CB-CD2 4.01Å; K140-Y175 HydrophobicContact CB-CE2 3.67Å; K140-Y175 HydrophobicContact CD-CE1 4.41Å; K140-Y175 HydrophobicContact CD-CE2 4.47Å; K140-Y175 HydrophobicContact CG-CE1 4.15Å; K140-Y175 HydrophobicContact CG-CE2 4.16Å
141T95.4Very high94.5Very high40 Ų4053.8 Ų53.825%0.24529%0.292CS..Hα-helixtrans-66-18.4-178.675.70000113.9D137 V138 L139 Q143 T144 L147 W148D137-T141 VanDerWaalsContact O-CG2 3.28Å; D137-T141 WeakPolarHBondContact O-CG2 3.45Å; D137-T141 PolarHBondContact O-N 2.77Å; V138-T141 WeakPolarHBondContact O-CA 3.45Å; V138-T141 WeakPolarHBondContact O-CB 3.4Å; V138-T141 PolarHBondContact O-N 3.25Å; V138-T141 PolarHBondContact O-OG1 3.17Å; L139-T141 PolarHBondContact O-N 2.69Å; T141-Q143 PolarHBondContact O-N 3.22Å; T141-Q143 VanDerWaalsContact O-N 3.15Å; T141-T144 VanDerWaalsContact O-CB 3.25Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 3.02Å; T141-L147 HydrophobicContact CG2-CD2 4.45Å; T141-W148 PolarHBondContact O-NE1 3.26Å; T141-W148 PolarHBondContact OG1-NE1 3.5Å
142F94.1Very high94.5Very high13 Ų1355.2 Ų55.26%0.05730%0.299CS..THydrogen-bonded Turntrans-60.5-22.4173.5-72.3-0.8000112.9L139 K140 W148 I153 I156 L162 L182L139-F142 HydrophobicContact CD1-CD2 3.93Å; L139-F142 HydrophobicContact CD1-CE2 4.17Å; L139-F142 WeakPolarHBondContact O-CB 3.48Å; L139-F142 PolarHBondContact O-N 2.87Å; K140-F142 PolarHBondContact O-N 3.09Å; F142-W148 AromaticContact CD1-CD1 3.97Å; F142-W148 AromaticContact CD1-CD2 3.65Å; F142-W148 HydrophobicContact CD1-CD2 3.65Å; F142-W148 AromaticContact CD1-CE2 3.57Å; F142-W148 HydrophobicContact CD1-CE3 4.12Å; F142-W148 AromaticContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CH2 4.48Å; F142-W148 HydrophobicContact CD1-CZ2 4.02Å; F142-W148 AromaticContact CD1-NE1 3.72Å; F142-W148 AromaticContact CE1-CD2 3.74Å; F142-W148 HydrophobicContact CE1-CD2 3.74Å; F142-W148 AromaticContact CE1-CE2 3.64Å; F142-W148 AromaticContact CE1-CE3 3.77Å; F142-W148 HydrophobicContact CE1-CE3 3.77Å; F142-W148 AromaticContact CE1-CH2 3.71Å; F142-W148 HydrophobicContact CE1-CH2 3.71Å; F142-W148 AromaticContact CE1-CZ2 3.65Å; F142-W148 HydrophobicContact CE1-CZ2 3.65Å; F142-W148 AromaticContact CE1-CZ3 3.75Å; F142-W148 HydrophobicContact CE1-CZ3 3.75Å; F142-I153 HydrophobicContact CB-CD1 4.07Å; F142-I153 HydrophobicContact CD2-CG2 3.85Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CG-CD1 4.45Å; F142-I153 HydrophobicContact CG-CG1 4.39Å; F142-I153 HydrophobicContact CG-CG2 4.34Å; F142-I153 WeakPolarHBondContact O-CD1 3.39Å; F142-I156 HydrophobicContact CZ-CG2 4.5Å; F142-L162 HydrophobicContact CE2-CD1 3.7Å; F142-L162 HydrophobicContact CZ-CD1 3.82Å; F142-L182 HydrophobicContact CD2-CD1 4.34Å; F142-L182 HydrophobicContact CD2-CD2 3.87Å; F142-L182 HydrophobicContact CE2-CD2 4.29Å
143Q89.1Confident94.5Very high75 Ų7555 Ų5535%0.3530%0.298SS..THydrogen-bonded Turntrans-89-5.1175.4-57.1175.7-13.300112.9K140 T141 P145 Y175 E178K140-Q143 PolarHBondContact O-N 3.37Å; K140-Q143 VanDerWaalsContact O-N 3.14Å; T141-Q143 PolarHBondContact O-N 3.22Å; T141-Q143 VanDerWaalsContact O-N 3.15Å; Q143-P145 WeakPolarHBondContact O-CD 3.49Å; Q143-Y175 PolarHBondContact NE2-O 3.2Å; Q143-E178 PolarHBondContact NE2-OE2 2.87Å
144T90.9Very high94.4Very high67 Ų6758.7 Ų58.741%0.41132%0.315SS..SBendtrans-75.2121.1-178.4-57.60000109.8T141 N146 L147T141-T144 VanDerWaalsContact O-CB 3.25Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 3.02Å; T144-N146 PolarHBondContact O-N 2.93Å; T144-L147 HydrophobicContact CG2-CB 4.04Å; T144-L147 HydrophobicContact CG2-CD2 4.17Å; T144-L147 PolarHBondContact O-N 3.16Å
145P86.8Confident94.5Very high110 Ų11059.5 Ų59.571%0.71432%0.317SS*.THydrogen-bonded Turntrans-55.1136.3-178.5-26.434.8000112.2Q143 L147Q143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-L147 PolarHBondContact O-N 3.45Å
146N88.8Confident94.7Very high169 Ų16959.4 Ų59.490%0.90432%0.316SS*.THydrogen-bonded Turntrans62.85.5176.6-51.9-46.4000116.3T144T144-N146 PolarHBondContact O-N 2.93Å
147L91.9Very high94.9Very high86 Ų8659.4 Ų59.445%0.4532%0.316SS..THydrogen-bonded Turntrans-86.1-38.3177.1-175.262.4000112.2T141 T144 P145T141-L147 HydrophobicContact CG2-CD2 4.45Å; T144-L147 HydrophobicContact CG2-CB 4.04Å; T144-L147 HydrophobicContact CG2-CD2 4.17Å; T144-L147 PolarHBondContact O-N 3.16Å; P145-L147 PolarHBondContact O-N 3.45Å
148W96.4Very high95.3Very high52 Ų5261 Ų6120%0.19732%0.323CS..SBendtrans-124.5140.7178.8-61.884.9000109.3V138 T141 F142 I153 I156V138-W148 HydrophobicContact CG1-CZ2 4.46Å; T141-W148 PolarHBondContact O-NE1 3.26Å; T141-W148 PolarHBondContact OG1-NE1 3.5Å; F142-W148 AromaticContact CD1-CD1 3.97Å; F142-W148 AromaticContact CD1-CD2 3.65Å; F142-W148 HydrophobicContact CD1-CD2 3.65Å; F142-W148 AromaticContact CD1-CE2 3.57Å; F142-W148 HydrophobicContact CD1-CE3 4.12Å; F142-W148 AromaticContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CH2 4.48Å; F142-W148 HydrophobicContact CD1-CZ2 4.02Å; F142-W148 AromaticContact CD1-NE1 3.72Å; F142-W148 AromaticContact CE1-CD2 3.74Å; F142-W148 HydrophobicContact CE1-CD2 3.74Å; F142-W148 AromaticContact CE1-CE2 3.64Å; F142-W148 AromaticContact CE1-CE3 3.77Å; F142-W148 HydrophobicContact CE1-CE3 3.77Å; F142-W148 AromaticContact CE1-CH2 3.71Å; F142-W148 HydrophobicContact CE1-CH2 3.71Å; F142-W148 AromaticContact CE1-CZ2 3.65Å; F142-W148 HydrophobicContact CE1-CZ2 3.65Å; F142-W148 AromaticContact CE1-CZ3 3.75Å; F142-W148 HydrophobicContact CE1-CZ3 3.75Å; W148-I153 HydrophobicContact CB-CD1 3.73Å; W148-I153 HydrophobicContact CB-CG1 3.72Å; W148-I153 HydrophobicContact CG-CG1 4.43Å; W148-I156 HydrophobicContact CE3-CD1 4.25Å; W148-I156 HydrophobicContact CZ3-CD1 3.83Å
149K97.5Very high95.5Very high118 Ų11865.5 Ų65.551%0.51334%0.338SS..  trans-81.3132.2170.7-61.4173.5-173.71600108.1E92 A151 H152 I153E92-K149 IonicContact OE1-NZ 3.6Å; E92-K149 PolarHBondContact OE1-NZ 3.48Å; K149-A151 VanDerWaalsContact C-N 3.27Å; K149-A151 PolarHBondContact O-N 3.12Å; K149-H152 HydrophobicContact CB-CB 4.21Å; K149-H152 WeakPolarHBondContact O-CA 3.22Å; K149-H152 VanDerWaalsContact O-CB 3.31Å; K149-H152 WeakPolarHBondContact O-CB 3.36Å; K149-H152 PolarHBondContact O-N 3.32Å; K149-I153 PolarHBondContact O-N 3.12Å
150D97.1Very high95.6Very high109 Ų10966 Ų6658%0.58334%0.341SS*.Hα-helixtrans-54.1-42.7-179.2-73.6-13.5000112.9H152 I153 Q154 I181D150-H152 PolarHBondContact O-N 2.97Å; D150-I153 PolarHBondContact O-N 3.43Å; D150-I153 VanDerWaalsContact O-N 3.12Å; D150-Q154 PolarHBondContact O-N 3.35Å; D150-I181 HydrophobicContact CB-CD1 3.79Å
151A98.1Very high95.7Very high69 Ų6961.2 Ų61.257%0.5732%0.32SS*.Hα-helixtrans-60.2-33.7175.300000112.8K149 E155K149-A151 VanDerWaalsContact C-N 3.27Å; K149-A151 PolarHBondContact O-N 3.12Å; A151-E155 WeakPolarHBondContact O-CB 3.49Å; A151-E155 PolarHBondContact O-N 3.44Å; A151-E155 VanDerWaalsContact O-N 3.08Å
152H98.4Very high95.9Very high30 Ų3059.3 Ų59.314%0.13931%0.308CS..Hα-helixtrans-73.6-40.5174.8-66.5-172.5000111.3E92 V94 K149 D150 E155 I156E92-H152 IonicContact OE1-CE1 2.97Å; V94-H152 HydrophobicContact CB-CB 4.3Å; V94-H152 HydrophobicContact CG1-CB 3.99Å; K149-H152 HydrophobicContact CB-CB 4.21Å; K149-H152 WeakPolarHBondContact O-CA 3.22Å; K149-H152 VanDerWaalsContact O-CB 3.31Å; K149-H152 WeakPolarHBondContact O-CB 3.36Å; K149-H152 PolarHBondContact O-N 3.32Å; D150-H152 PolarHBondContact O-N 2.97Å; H152-E155 PolarHBondContact O-N 3.19Å; H152-I156 WeakPolarHBondContact O-CB 3.32Å; H152-I156 WeakPolarHBondContact O-CD1 3.49Å; H152-I156 WeakPolarHBondContact O-CG1 3.49Å; H152-I156 PolarHBondContact O-N 3.45Å
153I98.3Very high96.1Very high3 Ų358.7 Ų58.72%0.01531%0.305CS..Hα-helixtrans-59.5-50.8175.2-60.9170.6000109.3F142 W148 K149 D150 E155 I156 V157 I181 L182F142-I153 HydrophobicContact CB-CD1 4.07Å; F142-I153 HydrophobicContact CD2-CG2 3.85Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CG-CD1 4.45Å; F142-I153 HydrophobicContact CG-CG1 4.39Å; F142-I153 HydrophobicContact CG-CG2 4.34Å; F142-I153 WeakPolarHBondContact O-CD1 3.39Å; W148-I153 HydrophobicContact CB-CD1 3.73Å; W148-I153 HydrophobicContact CB-CG1 3.72Å; W148-I153 HydrophobicContact CG-CG1 4.43Å; K149-I153 PolarHBondContact O-N 3.12Å; D150-I153 PolarHBondContact O-N 3.43Å; D150-I153 VanDerWaalsContact O-N 3.12Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.23Å; I153-I156 WeakPolarHBondContact O-CB 3.45Å; I153-I156 PolarHBondContact O-N 3.5Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.82Å; I153-V157 VanDerWaalsContact O-N 3.07Å; I153-I181 HydrophobicContact CG2-CG2 4Å; I153-L182 HydrophobicContact CG2-CD2 3.9Å
154Q98.5Very high96.5Very high80 Ų8055.2 Ų55.237%0.37429%0.289SS..Hα-helixtrans-55.2-51179-176.7-179.9-32.700110.6D150 I156 V157 E158 I181D150-Q154 PolarHBondContact O-N 3.35Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; Q154-I156 PolarHBondContact O-N 2.82Å; Q154-V157 WeakPolarHBondContact O-CG2 3.28Å; Q154-V157 PolarHBondContact O-N 2.86Å; Q154-E158 PolarHBondContact NE2-OE2 2.81Å; Q154-E158 WeakPolarHBondContact O-CB 3.42Å; Q154-E158 PolarHBondContact O-N 3.37Å; Q154-I181 HydrophobicContact CB-CG2 3.8Å; Q154-I181 HydrophobicContact CG-CG2 4.31Å
155E98.8Very high96.8Very high26 Ų2652.2 Ų52.212%0.12127%0.271CS..Hα-helixtrans-61.4-39.3179.7-176.2173.2170.100113.3V94 R98 A151 H152 I153 K159 F160V94-E155 HydrophobicContact CG2-CB 4.04Å; V94-E155 HydrophobicContact CG2-CG 3.82Å; R98-E155 IonicContact CZ-OE1 3.56Å; R98-E155 IonicContact CZ-OE2 2.67Å; R98-E155 IonicContact NE-OE1 3.62Å; R98-E155 PolarHBondContact NE-OE1 3.4Å; R98-E155 IonicContact NE-OE2 3.75Å; R98-E155 VanDerWaalsContact NH2-CD 3.3Å; R98-E155 IonicContact NH2-OE1 2.94Å; R98-E155 PolarHBondContact NH2-OE1 3.23Å; R98-E155 IonicContact NH2-OE2 3.74Å; R98-E155 PolarHBondContact NH2-OE2 3.42Å; A151-E155 WeakPolarHBondContact O-CB 3.49Å; A151-E155 PolarHBondContact O-N 3.44Å; A151-E155 VanDerWaalsContact O-N 3.08Å; H152-E155 PolarHBondContact O-N 3.19Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.23Å; E155-K159 HydrophobicContact CG-CB 4.42Å; E155-K159 HydrophobicContact CG-CD 3.85Å; E155-K159 HydrophobicContact CG-CG 4.14Å; E155-K159 WeakPolarHBondContact O-CB 3.32Å; E155-K159 PolarHBondContact O-N 3.38Å; E155-F160 HydrophobicContact CG-CE2 4.15Å
156I98.7Very high97Very high0 Ų048.3 Ų48.30%025%0.25CS..Iπ-helixtrans-57.6-51.4176.1-71.4165.2000110.3V94 L97 L132 F142 W148 H152 I153 Q154 F160 G161V94-I156 HydrophobicContact CB-CD1 4.26Å; V94-I156 HydrophobicContact CB-CG1 4.03Å; V94-I156 HydrophobicContact CG2-CG1 4.14Å; L97-I156 HydrophobicContact CD1-CB 4.49Å; L97-I156 HydrophobicContact CD1-CG1 3.81Å; L97-I156 HydrophobicContact CD1-CG2 4.24Å; L132-I156 HydrophobicContact CB-CG2 4.45Å; L132-I156 HydrophobicContact CD2-CG2 3.9Å; F142-I156 HydrophobicContact CZ-CG2 4.5Å; W148-I156 HydrophobicContact CE3-CD1 4.25Å; W148-I156 HydrophobicContact CZ3-CD1 3.83Å; H152-I156 WeakPolarHBondContact O-CB 3.32Å; H152-I156 WeakPolarHBondContact O-CD1 3.49Å; H152-I156 WeakPolarHBondContact O-CG1 3.49Å; H152-I156 PolarHBondContact O-N 3.45Å; I153-I156 WeakPolarHBondContact O-CB 3.45Å; I153-I156 PolarHBondContact O-N 3.5Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; Q154-I156 PolarHBondContact O-N 2.82Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 PolarHBondContact O-N 3.36Å; I156-G161 PolarHBondContact O-N 3.47Å
157V98.3Very high96.9Very high0 Ų042.1 Ų42.10%021%0.214CC..Iπ-helixtrans-81.4-27.1-175.1-61.10000113.6I153 Q154 I181 L182 H185 N188 I189I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.82Å; I153-V157 VanDerWaalsContact O-N 3.07Å; Q154-V157 WeakPolarHBondContact O-CG2 3.28Å; Q154-V157 PolarHBondContact O-N 2.86Å; V157-I181 HydrophobicContact CG2-CG2 4.09Å; V157-L182 HydrophobicContact CG1-CD2 3.72Å; V157-L182 HydrophobicContact CG2-CD2 4.46Å; V157-H185 HydrophobicContact CB-CB 3.97Å; V157-H185 HydrophobicContact CG2-CB 3.57Å; V157-N188 WeakPolarHBondContact O-CB 3.38Å; V157-N188 PolarHBondContact O-ND2 3.34Å; V157-I189 HydrophobicContact CB-CD1 4.44Å; V157-I189 HydrophobicContact CB-CG1 4.43Å; V157-I189 HydrophobicContact CG1-CD1 4.07Å; V157-I189 HydrophobicContact CG1-CG1 4.23Å
158E98.4Very high96.7Very high89 Ų8940.2 Ų40.242%0.41621%0.211SC..Iπ-helixtrans-79.2-53.7179.8-176.5176.9-174.600111.6Q154 H185 N188Q154-E158 PolarHBondContact NE2-OE2 2.81Å; Q154-E158 WeakPolarHBondContact O-CB 3.42Å; Q154-E158 PolarHBondContact O-N 3.37Å; E158-H185 VanDerWaalsContact CG-CE1 3.5Å; E158-H185 WeakPolarHBondContact CG-CE1 3.47Å; E158-N188 PolarHBondContact O-ND2 2.99Å
159K98.1Very high96.2Very high138 Ų13841.7 Ų41.760%0.624%0.242SC*.Iπ-helixtrans-91.1-32.4-169.8-60.6-166.2-173.91720114.4E155E155-K159 HydrophobicContact CG-CB 4.42Å; E155-K159 HydrophobicContact CG-CD 3.85Å; E155-K159 HydrophobicContact CG-CG 4.14Å; E155-K159 WeakPolarHBondContact O-CB 3.32Å; E155-K159 PolarHBondContact O-N 3.38Å
160F98.5Very high95.9Very high12 Ų1239 Ų395%0.05323%0.231CC..Iπ-helixtrans-105.7-54.5-175.9-58.3-75.4000110.4V94 L97 R98 H101 L130 K131 E155 I156V94-F160 HydrophobicContact CG2-CE2 4.31Å; L97-F160 HydrophobicContact CB-CD1 4.07Å; L97-F160 HydrophobicContact CB-CD2 4Å; L97-F160 HydrophobicContact CB-CE1 3.92Å; L97-F160 HydrophobicContact CB-CE2 3.82Å; L97-F160 HydrophobicContact CB-CG 4.11Å; L97-F160 HydrophobicContact CB-CZ 3.78Å; L97-F160 HydrophobicContact CD1-CD2 4.03Å; L97-F160 HydrophobicContact CD1-CE2 4.5Å; L97-F160 HydrophobicContact CD1-CG 4.25Å; L97-F160 HydrophobicContact CD2-CB 4.3Å; L97-F160 HydrophobicContact CD2-CD1 4.3Å; L97-F160 HydrophobicContact CD2-CG 4.19Å; L97-F160 HydrophobicContact CG-CD2 4.48Å; L97-F160 HydrophobicContact CG-CG 4.43Å; R98-F160 HydrophobicContact CG-CE2 4.45Å; R98-F160 HydrophobicContact CG-CZ 3.91Å; H101-F160 HydrophobicContact CB-CE1 3.73Å; H101-F160 AromaticContact CG-CE1 3.99Å; L130-F160 HydrophobicContact CB-CD1 4.38Å; L130-F160 HydrophobicContact CD2-CD1 4.37Å; L130-F160 CarbonylContact O-C 3.58Å; L130-F160 WeakPolarHBondContact O-CA 3.4Å; L130-F160 WeakPolarHBondContact O-CB 3.44Å; L130-F160 VanDerWaalsContact O-O 3.1Å; K131-F160 PolarHBondContact NZ-O 3.25Å; E155-F160 HydrophobicContact CG-CE2 4.15Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 PolarHBondContact O-N 3.36Å
161G98.4Very high95.8Very high0 Ų038 Ų380%023%0.226CC..  trans94.1167.5-172.300000112.1L132 I156 N188L132-G161 PolarHBondContact N-O 2.94Å; I156-G161 PolarHBondContact O-N 3.47Å; G161-N188 VanDerWaalsContact CA-CG 3.41Å; G161-N188 WeakPolarHBondContact CA-ND2 3.36Å; G161-N188 VanDerWaalsContact CA-O 3.28Å; G161-N188 WeakPolarHBondContact CA-O 3.41Å; G161-N188 PolarHBondContact N-ND2 3.46Å
162L98.4Very high95.7Very high0 Ų035.6 Ų35.60%021%0.205CC..EExtended strand (participates in β ladder)trans-134.1136.1-170.5-167.9143.6000109.8L132 L139 F142 C164 N188 I189 H190L132-L162 HydrophobicContact CD2-CD1 4.27Å; L132-L162 CarbonylContact O-C 3.57Å; L132-L162 WeakPolarHBondContact O-CA 3.37Å; L139-L162 HydrophobicContact CD1-CD1 4.45Å; L139-L162 HydrophobicContact CD1-CD2 4.39Å; F142-L162 HydrophobicContact CE2-CD1 3.7Å; F142-L162 HydrophobicContact CZ-CD1 3.82Å; L162-C164 HydrophobicContact CD2-CB 3.54Å; L162-N188 PolarHBondContact N-O 3.47Å; L162-I189 HydrophobicContact CB-CG2 4.47Å; L162-I189 HydrophobicContact CD2-CG2 4.02Å; L162-I189 CarbonylContact O-C 3.39Å; L162-I189 WeakPolarHBondContact O-CA 3.34Å; L162-H190 PolarHBondContact O-N 2.99Å
163V98.7Very high95.6Very high0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-114.4106.7169.5-1710000107.3L9 A29 L33 K131 L132 L133 C134 H190L9-V163 HydrophobicContact CD2-CB 4.47Å; L9-V163 HydrophobicContact CD2-CG2 3.88Å; A29-V163 HydrophobicContact CB-CG1 3.67Å; L33-V163 HydrophobicContact CD1-CG2 4.03Å; L33-V163 HydrophobicContact CD2-CG2 4.26Å; L33-V163 HydrophobicContact CG-CG2 4.37Å; K131-V163 HydrophobicContact CB-CG2 4.06Å; K131-V163 HydrophobicContact CD-CG2 3.99Å; L132-V163 PolarHBondContact O-N 3.49Å; L133-V163 WeakPolarHBondContact CA-O 3.19Å; L133-V163 HydrophobicContact CD1-CB 4.36Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; L133-V163 WeakPolarHBondContact CD1-O 3.44Å; C134-V163 PolarHBondContact N-O 3.34Å; V163-H190 CarbonylContact C-O 3.55Å; V163-H190 WeakPolarHBondContact CA-O 3.39Å; V163-H190 HydrophobicContact CB-CB 4.49Å; V163-H190 HydrophobicContact CG1-CB 4.24Å; V163-H190 HydrophobicContact CG2-CB 4.22Å
164C97.9Very high95.5Very high1 Ų141.7 Ų41.71%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-101.2119.2-176.8-174.30000109.5C134 A136 L139 L162 H190 L191 A192C134-C164 WeakPolarHBondContact O-CA 3.33Å; A136-C164 WeakPolarHBondContact CA-SG 3.3Å; L139-C164 HydrophobicContact CD2-CB 4.3Å; L162-C164 HydrophobicContact CD2-CB 3.54Å; C164-H190 PolarHBondContact N-O 3.09Å; C164-L191 HydrophobicContact CB-CD2 3.76Å; C164-A192 PolarHBondContact O-N 3.34Å
165V95.9Very high95.4Very high4 Ų439 Ų392%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-91.5129.7172.5-174.20000109.6L25 V28 A29 L133 C134 G135 A136 A192 E194L25-V165 HydrophobicContact CB-CG2 4.47Å; L25-V165 HydrophobicContact CD2-CB 3.42Å; L25-V165 VanDerWaalsContact CD2-CB 3.42Å; L25-V165 HydrophobicContact CD2-CG1 3.83Å; L25-V165 HydrophobicContact CD2-CG2 3.69Å; V28-V165 HydrophobicContact CB-CG1 4.26Å; V28-V165 HydrophobicContact CB-CG2 4.46Å; V28-V165 HydrophobicContact CG1-CG1 3.76Å; V28-V165 HydrophobicContact CG1-CG2 4.31Å; A29-V165 HydrophobicContact CB-CG2 4.41Å; L133-V165 HydrophobicContact CD1-CG2 4.01Å; C134-V165 PolarHBondContact O-N 2.71Å; G135-V165 WeakPolarHBondContact CA-O 3.39Å; A136-V165 PolarHBondContact N-O 3.31Å; V165-A192 WeakPolarHBondContact CA-O 3.25Å; V165-A192 HydrophobicContact CG2-CB 4.23Å; V165-E194 HydrophobicContact CG1-CB 4.07Å
166G92.1Very high95.4Very high28 Ų2838.4 Ų38.429%0.28922%0.218SC..PPolyproline II helixtrans-57.3146.6178.300000113.3A192G166-A192 PolarHBondContact N-O 3.4Å
167R87.3Confident95.3Very high40 Ų4042.1 Ų42.115%0.15124%0.244CC..  trans-132153.8171.9-68.8-169.3177.5-127-2.2110.2M21 A136 D137 H170M21-R167 HydrophobicContact CE-CG 3.95Å; M21-R167 PolarHBondContact SD-NH1 3.36Å; M21-R167 PolarHBondContact SD-NH2 2.98Å; M21-R167 VanDerWaalsContact SD-NH2 3.4Å; A136-R167 HydrophobicContact CB-CB 4.31Å; D137-R167 VanDerWaalsContact OD1-CD 3.24Å; D137-R167 WeakPolarHBondContact OD1-CD 3.28Å; D137-R167 IonicContact OD1-CZ 3.79Å; D137-R167 IonicContact OD1-NE 3.89Å; D137-R167 PolarHBondContact OD1-NE 2.81Å; D137-R167 IonicContact OD1-NH2 3.35Å; D137-R167 IonicContact OD2-CZ 2.85Å; D137-R167 IonicContact OD2-NE 3.99Å; R167-H170 PolarHBondContact O-N 2.97Å
168A86.3Confident95.2Very high46 Ų4648.8 Ų48.838%0.3828%0.275SS..THydrogen-bonded Turntrans-58.1141.4174.100000110.8H170 E199A168-H170 PolarHBondContact O-N 2.89Å; A168-H170 PolarHBondContact O-ND1 2.8Å; A168-E199 HydrophobicContact CB-CG 4.08Å; A168-E199 WeakPolarHBondContact CB-OE1 3.32Å; A168-E199 PolarHBondContact N-OE1 2.97Å
169G86.9Confident95.1Very high83 Ų8345.5 Ų45.586%0.85626%0.262SS*.THydrogen-bonded Turntrans71.99.8179.600000115.5
170H91.6Very high95Very high60 Ų6043.9 Ų43.928%0.27827%0.266SS..  trans-117.8145.3176.3-67.576.1000111.9A136 D137 R167 A168 P172 Y175A136-H170 HydrophobicContact CB-CB 3.54Å; D137-H170 WeakPolarHBondContact CA-NE2 3.47Å; R167-H170 PolarHBondContact O-N 2.97Å; A168-H170 PolarHBondContact O-N 2.89Å; A168-H170 PolarHBondContact O-ND1 2.8Å; H170-P172 WeakPolarHBondContact O-CD 3.16Å; H170-Y175 VanDerWaalsContact CA-OH 3.32Å; H170-Y175 WeakPolarHBondContact CA-OH 3.26Å; H170-Y175 HydrophobicContact CB-CE2 4.04Å; H170-Y175 AromaticContact CD2-CE2 3.99Å; H170-Y175 PolarHBondContact CD2-OH 3.23Å
171D94.8Very high95Very high89 Ų8944.8 Ų44.848%0.47627%0.271SS..  trans-121.184.6175.3179.317.7000111K173 G174 Y175D171-K173 PolarHBondContact O-N 2.66Å; D171-K173 PolarHBondContact OD1-N 3.33Å; D171-G174 VanDerWaalsContact CG-N 3.34Å; D171-G174 PolarHBondContact O-N 2.92Å; D171-G174 PolarHBondContact OD1-N 3.23Å; D171-G174 WeakPolarHBondContact OD2-CA 3.36Å; D171-G174 PolarHBondContact OD2-N 3.48Å; D171-Y175 PolarHBondContact N-OH 3.22Å; D171-Y175 WeakPolarHBondContact O-CD1 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.36Å; D171-Y175 PolarHBondContact O-N 3.01Å
172P95.1Very high95Very high19 Ų1944.8 Ų44.812%0.12327%0.271CS..Hα-helixtrans-56.3-32.4178.5-25.934.1000114A136 L139 H170 Y175 I176 L191A136-P172 HydrophobicContact CB-CG 3.72Å; L139-P172 HydrophobicContact CD2-CB 3.99Å; H170-P172 WeakPolarHBondContact O-CD 3.16Å; P172-Y175 PolarHBondContact O-N 3.24Å; P172-I176 WeakPolarHBondContact O-CD1 3.44Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.41Å; P172-I176 PolarHBondContact O-N 3.2Å; P172-I176 VanDerWaalsContact O-N 3.1Å; P172-L191 HydrophobicContact CB-CD1 4.1Å; P172-L191 HydrophobicContact CB-CD2 3.65Å; P172-L191 HydrophobicContact CB-CG 4.5Å
173K96.3Very high94.9Very high149 Ų14952.3 Ų52.365%0.64830%0.299SS*.Hα-helixtrans-71-42.1-179.4-69.4-175.1177.9-176.50110.9D171 S177 L191D171-K173 PolarHBondContact O-N 2.66Å; D171-K173 PolarHBondContact OD1-N 3.33Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.32Å; K173-L191 HydrophobicContact CG-CD1 3.67Å
174G97Very high94.9Very high12 Ų1258.7 Ų58.712%0.12433%0.331CS..Hα-helixtrans-56.9-50.617000000111.5D171 I176 S177 E178D171-G174 VanDerWaalsContact CG-N 3.34Å; D171-G174 PolarHBondContact O-N 2.92Å; D171-G174 PolarHBondContact OD1-N 3.23Å; D171-G174 WeakPolarHBondContact OD2-CA 3.36Å; D171-G174 PolarHBondContact OD2-N 3.48Å; G174-I176 VanDerWaalsContact C-N 3.3Å; G174-I176 PolarHBondContact O-N 3.44Å; G174-S177 PolarHBondContact O-N 3.03Å; G174-E178 WeakPolarHBondContact O-CG 3.49Å; G174-E178 PolarHBondContact O-N 2.99Å
175Y96.9Very high94.9Very high24 Ų2459.4 Ų59.49%0.09433%0.334CS..Hα-helixtrans-58.6-39.8-178-53.6-25.5000113.4L139 K140 Q143 H170 D171 P172 S179L139-Y175 HydrophobicContact CD2-CD2 4.47Å; L139-Y175 HydrophobicContact CG-CD2 4.41Å; K140-Y175 HydrophobicContact CB-CD2 4.01Å; K140-Y175 HydrophobicContact CB-CE2 3.67Å; K140-Y175 HydrophobicContact CD-CE1 4.41Å; K140-Y175 HydrophobicContact CD-CE2 4.47Å; K140-Y175 HydrophobicContact CG-CE1 4.15Å; K140-Y175 HydrophobicContact CG-CE2 4.16Å; Q143-Y175 PolarHBondContact NE2-O 3.2Å; H170-Y175 VanDerWaalsContact CA-OH 3.32Å; H170-Y175 WeakPolarHBondContact CA-OH 3.26Å; H170-Y175 HydrophobicContact CB-CE2 4.04Å; H170-Y175 AromaticContact CD2-CE2 3.99Å; H170-Y175 PolarHBondContact CD2-OH 3.23Å; D171-Y175 PolarHBondContact N-OH 3.22Å; D171-Y175 WeakPolarHBondContact O-CD1 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.36Å; D171-Y175 PolarHBondContact O-N 3.01Å; P172-Y175 PolarHBondContact O-N 3.24Å; Y175-S179 PolarHBondContact O-N 3.2Å
176I97.4Very high95Very high12 Ų1264.4 Ų64.46%0.06236%0.357CS..Hα-helixtrans-68.2-42.4175.9-67.9164.8000110.9L139 P172 G174 E178 S179 L182 R183 Q186 I189 L191L139-I176 HydrophobicContact CD2-CD1 4.47Å; L139-I176 HydrophobicContact CD2-CG1 4.26Å; P172-I176 WeakPolarHBondContact O-CD1 3.44Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.41Å; P172-I176 PolarHBondContact O-N 3.2Å; P172-I176 VanDerWaalsContact O-N 3.1Å; G174-I176 VanDerWaalsContact C-N 3.3Å; G174-I176 PolarHBondContact O-N 3.44Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.76Å; I176-S179 PolarHBondContact O-N 3.04Å; I176-L182 HydrophobicContact CB-CB 4.38Å; I176-L182 HydrophobicContact CG1-CB 4.39Å; I176-L182 HydrophobicContact CG2-CB 4.23Å; I176-R183 PolarHBondContact O-N 2.84Å; I176-Q186 HydrophobicContact CG2-CB 3.85Å; I176-I189 HydrophobicContact CD1-CB 4.31Å; I176-I189 HydrophobicContact CD1-CD1 4.39Å; I176-I189 HydrophobicContact CD1-CG2 3.71Å; I176-I189 HydrophobicContact CG1-CD1 4.21Å; I176-I189 HydrophobicContact CG1-CG2 4.45Å; I176-L191 HydrophobicContact CD1-CD1 4.07Å; I176-L191 HydrophobicContact CD1-CD2 3.94Å; I176-L191 HydrophobicContact CD1-CG 4.26Å
177S96.8Very high95.3Very high79 Ų7969.8 Ų69.855%0.55237%0.374SS*.Hα-helixtrans-67.6-34.2-176.1-58.80000112.7K173 G174K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.32Å; G174-S177 PolarHBondContact O-N 3.03Å
178E95.7Very high95.8Very high139 Ų13968.8 Ų68.865%0.6537%0.372SS*.Hα-helixtrans-79.8-20-178.6-69.2169.2176.200113.6Q143 G174 I176Q143-E178 PolarHBondContact NE2-OE2 2.87Å; G174-E178 WeakPolarHBondContact O-CG 3.49Å; G174-E178 PolarHBondContact O-N 2.99Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.76Å
179S96.8Very high96.4Very high20 Ų2067.2 Ų67.214%0.1436%0.357CS..  trans-100.8119.2179.2175.50000111.2Y175 I176 I181 L182 R183Y175-S179 PolarHBondContact O-N 3.2Å; I176-S179 PolarHBondContact O-N 3.04Å; S179-I181 VanDerWaalsContact C-N 3.28Å; S179-I181 PolarHBondContact O-N 3.1Å; S179-L182 PolarHBondContact O-N 3.14Å; S179-L182 WeakPolarHBondContact OG-CG 3.26Å; S179-L182 PolarHBondContact OG-N 3.28Å; S179-R183 VanDerWaalsContact O-CB 3.32Å; S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 PolarHBondContact O-N 2.86Å
180P96.9Very high97Very high105 Ų10564.1 Ų64.168%0.68232%0.321SS*.Hα-helixtrans-56-40.3177.3-2735.3000113.5M184P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 PolarHBondContact O-N 3.24Å
181I97.8Very high97.2Very high30 Ų3063.9 Ų63.915%0.15432%0.321CS..Hα-helixtrans-65.3-49.8179.1-61.3173.3000110.2D150 I153 Q154 V157 S179 R183 M184 H185D150-I181 HydrophobicContact CB-CD1 3.79Å; I153-I181 HydrophobicContact CG2-CG2 4Å; Q154-I181 HydrophobicContact CB-CG2 3.8Å; Q154-I181 HydrophobicContact CG-CG2 4.31Å; V157-I181 HydrophobicContact CG2-CG2 4.09Å; S179-I181 VanDerWaalsContact C-N 3.28Å; S179-I181 PolarHBondContact O-N 3.1Å; I181-R183 PolarHBondContact O-N 3.09Å; I181-M184 PolarHBondContact O-N 2.87Å; I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.77Å
182L97.9Very high97.3Very high0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-66.8-40.3-178.6-57-178.8000111.8L139 F142 I153 V157 I176 S179 M184 H185 Q186 I189L139-L182 HydrophobicContact CD1-CD1 3.91Å; F142-L182 HydrophobicContact CD2-CD1 4.34Å; F142-L182 HydrophobicContact CD2-CD2 3.87Å; F142-L182 HydrophobicContact CE2-CD2 4.29Å; I153-L182 HydrophobicContact CG2-CD2 3.9Å; V157-L182 HydrophobicContact CG1-CD2 3.72Å; V157-L182 HydrophobicContact CG2-CD2 4.46Å; I176-L182 HydrophobicContact CB-CB 4.38Å; I176-L182 HydrophobicContact CG1-CB 4.39Å; I176-L182 HydrophobicContact CG2-CB 4.23Å; S179-L182 PolarHBondContact O-N 3.14Å; S179-L182 WeakPolarHBondContact OG-CG 3.26Å; S179-L182 PolarHBondContact OG-N 3.28Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.41Å; L182-H185 CarbonylContact O-C 3.42Å; L182-H185 PolarHBondContact O-N 2.97Å; L182-Q186 WeakPolarHBondContact O-CA 3.39Å; L182-Q186 PolarHBondContact O-N 3.44Å; L182-I189 HydrophobicContact CB-CD1 4.02Å; L182-I189 HydrophobicContact CD2-CD1 4.05Å
183R97.9Very high96.9Very high158 Ų15867.4 Ų67.460%0.59633%0.33SS*.Hα-helixtrans-61.7-40.6177.1-175.4177.2174.4-178.6-1.6112.1I176 S179 I181 H185 Q186I176-R183 PolarHBondContact O-N 2.84Å; S179-R183 VanDerWaalsContact O-CB 3.32Å; S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 PolarHBondContact O-N 2.86Å; I181-R183 PolarHBondContact O-N 3.09Å; R183-H185 VanDerWaalsContact C-N 3.33Å; R183-Q186 WeakPolarHBondContact O-CG 3.35Å; R183-Q186 PolarHBondContact O-NE2 3.2Å
184M98.1Very high96.2Very high134 Ų13461.9 Ų61.966%0.6631%0.307SS*.Hα-helixtrans-62.5-41.3178-175.3178.1-66.100111.6P180 I181 L182P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 PolarHBondContact O-N 3.24Å; I181-M184 PolarHBondContact O-N 2.87Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.41Å
185H98.3Very high95Very high17 Ų1766.3 Ų66.38%0.07933%0.334CS..THydrogen-bonded Turntrans-102.920.2-177.8-58.8-74.3000113.9V157 E158 I181 L182 R183 H187 N188V157-H185 HydrophobicContact CB-CB 3.97Å; V157-H185 HydrophobicContact CG2-CB 3.57Å; E158-H185 VanDerWaalsContact CG-CE1 3.5Å; E158-H185 WeakPolarHBondContact CG-CE1 3.47Å; I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.77Å; L182-H185 CarbonylContact O-C 3.42Å; L182-H185 PolarHBondContact O-N 2.97Å; R183-H185 VanDerWaalsContact C-N 3.33Å; H185-H187 PolarHBondContact O-N 3.03Å; H185-N188 PolarHBondContact O-N 3.32Å
186Q97.8Very high94Very high108 Ų10869.5 Ų69.551%0.50536%0.356SS..G310 helixtrans-59.2-25.7-174.971.8-175-76.400113.8I176 L182 R183 N188 I189I176-Q186 HydrophobicContact CG2-CB 3.85Å; L182-Q186 WeakPolarHBondContact O-CA 3.39Å; L182-Q186 PolarHBondContact O-N 3.44Å; R183-Q186 WeakPolarHBondContact O-CG 3.35Å; R183-Q186 PolarHBondContact O-NE2 3.2Å; Q186-N188 PolarHBondContact O-N 2.94Å; Q186-I189 PolarHBondContact O-N 3.32Å; Q186-I189 VanDerWaalsContact O-N 3.08Å
187H97.8Very high92.9Very high141 Ų14177 Ų7765%0.65339%0.39SS*.G310 helixtrans-64.4-19.6176.763-89.3000113H185H185-H187 PolarHBondContact O-N 3.03Å
188N98.4Very high91.7Very high19 Ų1975.3 Ų75.310%0.10238%0.375CS..G310 helixtrans-106.813.3176.2-157.715.3000112.5K131 V157 E158 G161 L162 H185 Q186K131-N188 PolarHBondContact NZ-OD1 2.83Å; V157-N188 WeakPolarHBondContact O-CB 3.38Å; V157-N188 PolarHBondContact O-ND2 3.34Å; E158-N188 PolarHBondContact O-ND2 2.99Å; G161-N188 VanDerWaalsContact CA-CG 3.41Å; G161-N188 WeakPolarHBondContact CA-ND2 3.36Å; G161-N188 VanDerWaalsContact CA-O 3.28Å; G161-N188 WeakPolarHBondContact CA-O 3.41Å; G161-N188 PolarHBondContact N-ND2 3.46Å; L162-N188 PolarHBondContact N-O 3.47Å; H185-N188 PolarHBondContact O-N 3.32Å; Q186-N188 PolarHBondContact O-N 2.94Å
189I98.4Very high90.9Very high13 Ų1373 Ų737%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-111.9108.5174.6-54.6175.3000108.7V157 L162 I176 L182 Q186 L191V157-I189 HydrophobicContact CB-CD1 4.44Å; V157-I189 HydrophobicContact CB-CG1 4.43Å; V157-I189 HydrophobicContact CG1-CD1 4.07Å; V157-I189 HydrophobicContact CG1-CG1 4.23Å; L162-I189 HydrophobicContact CB-CG2 4.47Å; L162-I189 HydrophobicContact CD2-CG2 4.02Å; L162-I189 CarbonylContact O-C 3.39Å; L162-I189 WeakPolarHBondContact O-CA 3.34Å; I176-I189 HydrophobicContact CD1-CB 4.31Å; I176-I189 HydrophobicContact CD1-CD1 4.39Å; I176-I189 HydrophobicContact CD1-CG2 3.71Å; I176-I189 HydrophobicContact CG1-CD1 4.21Å; I176-I189 HydrophobicContact CG1-CG2 4.45Å; L182-I189 HydrophobicContact CB-CD1 4.02Å; L182-I189 HydrophobicContact CD2-CD1 4.05Å; Q186-I189 PolarHBondContact O-N 3.32Å; Q186-I189 VanDerWaalsContact O-N 3.08Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å
190H98.5Very high90.4Very high19 Ų1973 Ų739%0.08836%0.363CS..EExtended strand (participates in β ladder)trans-94.5119.8-177.7-58.2-87.2000109.7L33 Y39 L162 V163 C164L33-H190 HydrophobicContact CD2-CB 4.22Å; Y39-H190 AromaticContact CE2-CE1 3.52Å; Y39-H190 AromaticContact CZ-CE1 3.86Å; L162-H190 PolarHBondContact O-N 2.99Å; V163-H190 CarbonylContact C-O 3.55Å; V163-H190 WeakPolarHBondContact CA-O 3.39Å; V163-H190 HydrophobicContact CB-CB 4.49Å; V163-H190 HydrophobicContact CG1-CB 4.24Å; V163-H190 HydrophobicContact CG2-CB 4.22Å; C164-H190 PolarHBondContact N-O 3.09Å
191L97.8Very high90.2Very high54 Ų5470.4 Ų70.428%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-98.599.6179.6-61.7-174.5000110.4H32 C164 P172 K173 I176 I189H32-L191 PolarHBondContact CE1-O 2.9Å; H32-L191 VanDerWaalsContact CE1-O 3.22Å; C164-L191 HydrophobicContact CB-CD2 3.76Å; P172-L191 HydrophobicContact CB-CD1 4.1Å; P172-L191 HydrophobicContact CB-CD2 3.65Å; P172-L191 HydrophobicContact CB-CG 4.5Å; K173-L191 HydrophobicContact CG-CD1 3.67Å; I176-L191 HydrophobicContact CD1-CD1 4.07Å; I176-L191 HydrophobicContact CD1-CD2 3.94Å; I176-L191 HydrophobicContact CD1-CG 4.26Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å
192A95.9Very high90Very high3 Ų369.9 Ų69.93%0.02535%0.347CS..EExtended strand (participates in β ladder)trans-85.1132175.400000110.5V28 H32 C164 V165 G166V28-A192 HydrophobicContact CG1-CB 3.98Å; H32-A192 HydrophobicContact CB-CB 3.64Å; C164-A192 PolarHBondContact O-N 3.34Å; V165-A192 WeakPolarHBondContact CA-O 3.25Å; V165-A192 HydrophobicContact CG2-CB 4.23Å; G166-A192 PolarHBondContact N-O 3.4Å
193K87.6Confident89.8Confident179 Ų17974 Ų7478%0.77837%0.372SS*.PPolyproline II helixtrans-95.8121.8176.9-173.8179.4-179.1-176.60109.4P195K193-P195 WeakPolarHBondContact O-CD 3.25Å
194E80.3Confident89.7Confident34 Ų3470.6 Ų70.616%0.15936%0.36CS..PPolyproline II helixtrans-87.6118.9165.217663.4174.400108.8R24 V28 V165 V196R24-E194 IonicContact CZ-OE1 3.71Å; R24-E194 IonicContact CZ-OE2 2.68Å; R24-E194 IonicContact NE-OE1 2.85Å; R24-E194 PolarHBondContact NE-OE1 3.05Å; R24-E194 IonicContact NE-OE2 3.53Å; R24-E194 PolarHBondContact NE-OE2 3.08Å; R24-E194 IonicContact NH2-OE1 3.5Å; R24-E194 PolarHBondContact NH2-OE1 3.47Å; R24-E194 IonicContact NH2-OE2 3.68Å; R24-E194 PolarHBondContact NH2-OE2 2.96Å; V28-E194 HydrophobicContact CG1-CB 4.42Å; V28-E194 WeakPolarHBondContact CG2-OE2 3.38Å; V165-E194 HydrophobicContact CG1-CB 4.07Å; E194-V196 VanDerWaalsContact C-N 3.27Å; E194-V196 WeakPolarHBondContact CG-O 3.49Å; E194-V196 PolarHBondContact O-N 3.06Å
195P72.8Confident89.6Confident105 Ų10564.2 Ų64.268%0.68233%0.328SS*.SBendtrans-76.2-14.1179.529.2-33.7000113.4K193K193-P195 WeakPolarHBondContact O-CD 3.25Å
196V75.4Confident89.6Confident91 Ų9165 Ų6555%0.55233%0.331SS*.SBendtrans-107.7131-176.9-175.20000110.6E194 N198E194-V196 VanDerWaalsContact C-N 3.27Å; E194-V196 WeakPolarHBondContact CG-O 3.49Å; E194-V196 PolarHBondContact O-N 3.06Å; V196-N198 PolarHBondContact O-N 2.75Å
197Q74.6Confident89.5Confident170 Ų17066.6 Ų66.679%0.79433%0.332SS*.  trans-72.4100.3171.9-75.7-176.9-26.100110.2
198N70.8Confident89.4Confident43 Ų4359.9 Ų59.923%0.2330%0.301CS..  trans-118.774.5174.4-170.60.4000110.5M21 V196 I200M21-N198 WeakPolarHBondContact CE-O 3.43Å; M21-N198 WeakPolarHBondContact CG-O 3.49Å; V196-N198 PolarHBondContact O-N 2.75Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.33Å; N198-I200 WeakPolarHBondContact OD1-CD1 3.33Å; N198-I200 VanDerWaalsContact OD1-CG1 3.25Å; N198-I200 WeakPolarHBondContact OD1-CG1 3.43Å
199E80.2Confident89.3Confident90 Ų9060.7 Ų60.742%0.42131%0.305SS..  trans-90.549.7-173.3-67.2-62.9154.600113.3A168 S201A168-E199 HydrophobicContact CB-CG 4.08Å; A168-E199 WeakPolarHBondContact CB-OE1 3.32Å; A168-E199 PolarHBondContact N-OE1 2.97Å; E199-S201 PolarHBondContact O-N 3.3Å
200I86.3Confident89.2Confident21 Ų2160.8 Ų60.811%0.10831%0.31CS..  trans-84.7102.8179-57167.7000110.2T19 M21 N198 I205 L218T19-I200 HydrophobicContact CG2-CG2 4.21Å; M21-I200 HydrophobicContact CB-CB 4.22Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.33Å; N198-I200 WeakPolarHBondContact OD1-CD1 3.33Å; N198-I200 VanDerWaalsContact OD1-CG1 3.25Å; N198-I200 WeakPolarHBondContact OD1-CG1 3.43Å; I200-I205 HydrophobicContact CG2-CD1 3.87Å; I200-I205 HydrophobicContact CG2-CG1 4.06Å; I200-L218 HydrophobicContact CD1-CB 4.05Å; I200-L218 HydrophobicContact CD1-CD2 3.77Å; I200-L218 HydrophobicContact CG1-CD2 4.17Å; I200-L218 HydrophobicContact CG2-CB 4.12Å
201S91.3Very high89.1Confident50 Ų5064.9 Ų64.935%0.3533%0.329SS..  trans-89.2142173.374.60000112.7E199 T203 Y204 I205E199-S201 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact O-N 3.38Å; S201-Y204 WeakPolarHBondContact O-CB 3.35Å; S201-Y204 PolarHBondContact O-N 3.23Å; S201-Y204 WeakPolarHBondContact OG-CB 3.49Å; S201-Y204 PolarHBondContact OG-N 2.67Å; S201-Y204 VanDerWaalsContact OG-N 3.13Å; S201-I205 PolarHBondContact O-N 2.87Å; S201-I205 VanDerWaalsContact O-N 3.15Å
202A94.4Very high89Confident18 Ų1865.7 Ų65.715%0.14935%0.35CS..Hα-helixtrans-60.1-28.9173.500000112.5T19 I205 R206T19-A202 HydrophobicContact CG2-CB 4.38Å; A202-I205 PolarHBondContact O-N 3.39Å; A202-R206 WeakPolarHBondContact O-CG 3.29Å; A202-R206 PolarHBondContact O-N 2.97Å; A202-R206 PolarHBondContact O-NH1 2.96Å
203T93.4Very high89Confident87 Ų8770 Ų7053%0.53437%0.37SS..Hα-helixtrans-64.2-41.9174-60.50000111.8S201 R206 R207S201-T203 PolarHBondContact O-N 3.38Å; T203-R206 PolarHBondContact OG1-NH2 3.14Å; T203-R207 WeakPolarHBondContact O-CB 3.2Å; T203-R207 PolarHBondContact O-N 3.41Å; T203-R207 VanDerWaalsContact O-N 3.09Å
204Y95Very high89.5Confident87 Ų8765.9 Ų65.934%0.34136%0.364SS..Hα-helixtrans-60.8-45.4172171.5-89000111.2S201 R206 R207 A208 L218S201-Y204 WeakPolarHBondContact O-CB 3.35Å; S201-Y204 PolarHBondContact O-N 3.23Å; S201-Y204 WeakPolarHBondContact OG-CB 3.49Å; S201-Y204 PolarHBondContact OG-N 2.67Å; S201-Y204 VanDerWaalsContact OG-N 3.13Å; Y204-R206 PolarHBondContact O-N 3.48Å; Y204-R207 VanDerWaalsContact CD2-NH2 3.26Å; Y204-R207 PolarHBondContact O-N 2.98Å; Y204-A208 HydrophobicContact CE1-CB 4.34Å; Y204-A208 WeakPolarHBondContact O-CB 3.28Å; Y204-A208 PolarHBondContact O-N 3.46Å; Y204-L218 HydrophobicContact CD1-CD1 4.28Å; Y204-L218 HydrophobicContact CE1-CD1 3.54Å
205I97.6Very high90.4Very high0 Ų064.5 Ų64.50%036%0.357CS..Hα-helixtrans-58.2-50.5179.2-61.6-59.9000111.6P17 T19 I200 S201 A202 R207 A208 L209 V215 L218 I219P17-I205 HydrophobicContact CG-CB 4.41Å; P17-I205 HydrophobicContact CG-CG2 3.6Å; T19-I205 HydrophobicContact CG2-CG1 3.9Å; I200-I205 HydrophobicContact CG2-CD1 3.87Å; I200-I205 HydrophobicContact CG2-CG1 4.06Å; S201-I205 PolarHBondContact O-N 2.87Å; S201-I205 VanDerWaalsContact O-N 3.15Å; A202-I205 PolarHBondContact O-N 3.39Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.01Å; I205-A208 PolarHBondContact O-N 3.32Å; I205-L209 HydrophobicContact CG2-CD1 3.76Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.41Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.37Å; I205-V215 HydrophobicContact CD1-CB 4.09Å; I205-V215 HydrophobicContact CD1-CG1 4.03Å; I205-V215 HydrophobicContact CG2-CG1 4.24Å; I205-L218 HydrophobicContact CD1-CB 3.68Å; I205-L218 HydrophobicContact CD1-CD1 3.96Å; I205-I219 HydrophobicContact CD1-CG2 3.81Å; I205-I219 HydrophobicContact CG1-CG2 3.92Å; I205-I219 HydrophobicContact CG2-CD1 4.18Å; I205-I219 HydrophobicContact CG2-CG2 4.19Å
206R96.9Very high91.6Very high33 Ų3363.3 Ų63.313%0.12534%0.342CS..Hα-helixtrans-60.6-40.2177.8-65.8-165.9-55.2-70.9-5.6112.1N16 A202 T203 Y204 G210 Y233N16-R206 VanDerWaalsContact O-CD 3.32Å; N16-R206 WeakPolarHBondContact O-CD 3.44Å; N16-R206 PolarHBondContact O-NH1 3.36Å; A202-R206 WeakPolarHBondContact O-CG 3.29Å; A202-R206 PolarHBondContact O-N 2.97Å; A202-R206 PolarHBondContact O-NH1 2.96Å; T203-R206 PolarHBondContact OG1-NH2 3.14Å; Y204-R206 PolarHBondContact O-N 3.48Å; R206-G210 PolarHBondContact O-N 3.3Å; R206-Y233 HydrophobicContact CB-CD1 4.34Å; R206-Y233 HydrophobicContact CG-CD1 3.54Å; R206-Y233 HydrophobicContact CG-CE1 3.78Å; R206-Y233 HydrophobicContact CG-CG 3.98Å
207R95.8Very high92.6Very high141 Ų14167.6 Ų67.653%0.53235%0.349SS..Hα-helixtrans-63.3-47.6176.8-176.2-176.970.6-1674.2111.8T203 Y204 I205 G210 Q211T203-R207 WeakPolarHBondContact O-CB 3.2Å; T203-R207 PolarHBondContact O-N 3.41Å; T203-R207 VanDerWaalsContact O-N 3.09Å; Y204-R207 VanDerWaalsContact CD2-NH2 3.26Å; Y204-R207 PolarHBondContact O-N 2.98Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.01Å; R207-G210 PolarHBondContact O-N 2.83Å; R207-Q211 WeakPolarHBondContact O-CG 3.23Å; R207-Q211 PolarHBondContact O-N 3.08Å; R207-Q211 VanDerWaalsContact O-N 3.08Å
208A96.8Very high93.7Very high0 Ų061.5 Ų61.50%032%0.322CS..Hα-helixtrans-61.3-47.1179.300000111.1Y204 I205 G210 Q211 G212 Q213 V215Y204-A208 HydrophobicContact CE1-CB 4.34Å; Y204-A208 WeakPolarHBondContact O-CB 3.28Å; Y204-A208 PolarHBondContact O-N 3.46Å; I205-A208 PolarHBondContact O-N 3.32Å; A208-G210 PolarHBondContact O-N 2.82Å; A208-Q211 CarbonylContact O-C 3.59Å; A208-Q211 WeakPolarHBondContact O-CA 3.42Å; A208-Q211 PolarHBondContact O-N 3.23Å; A208-G212 PolarHBondContact O-N 3.05Å; A208-G212 VanDerWaalsContact O-N 3.13Å; A208-Q213 HydrophobicContact CB-CB 4.02Å; A208-Q213 WeakPolarHBondContact O-CB 3.48Å; A208-Q213 PolarHBondContact O-N 2.9Å; A208-V215 HydrophobicContact CB-CG1 3.64Å
209L96.6Very high95Very high36 Ų3659.5 Ų59.519%0.18831%0.311CS..Hα-helixtrans-58.4-47.5175.5-72.8167.8000112.2I205 Q211 G212 V215 I227 Y233I205-L209 HydrophobicContact CG2-CD1 3.76Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.41Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.37Å; L209-Q211 PolarHBondContact O-N 2.95Å; L209-G212 PolarHBondContact O-N 3.08Å; L209-V215 HydrophobicContact CD2-CG1 4.34Å; L209-V215 HydrophobicContact CD2-CG2 3.7Å; L209-V215 HydrophobicContact CG-CG1 4.08Å; L209-V215 HydrophobicContact CG-CG2 4.14Å; L209-I227 HydrophobicContact CD1-CD1 4.01Å; L209-I227 HydrophobicContact CD1-CG2 3.97Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; L209-Y233 HydrophobicContact CD1-CD2 3.8Å; L209-Y233 HydrophobicContact CD1-CG 4.26Å
210G95.3Very high95.9Very high16 Ų1656.4 Ų56.417%0.16530%0.299CS..Hα-helixtrans-60.9-26.417600000113.1R206 R207 A208 Y233 K235R206-G210 PolarHBondContact O-N 3.3Å; R207-G210 PolarHBondContact O-N 2.83Å; A208-G210 PolarHBondContact O-N 2.82Å; G210-Y233 WeakPolarHBondContact CA-O 3.42Å; G210-Y233 PolarHBondContact N-O 3.28Å; G210-K235 WeakPolarHBondContact O-CD 3.16Å; G210-K235 WeakPolarHBondContact O-CE 3.35Å; G210-K235 VanDerWaalsContact O-CG 3.22Å; G210-K235 WeakPolarHBondContact O-CG 3.5Å
211Q96.2Very high96.5Very high104 Ų10459.4 Ų59.449%0.48632%0.315SS..THydrogen-bonded Turntrans-90.10.4176.3-68.4176.1-1.100113.7R207 A208 L209 Q213R207-Q211 WeakPolarHBondContact O-CG 3.23Å; R207-Q211 PolarHBondContact O-N 3.08Å; R207-Q211 VanDerWaalsContact O-N 3.08Å; A208-Q211 CarbonylContact O-C 3.59Å; A208-Q211 WeakPolarHBondContact O-CA 3.42Å; A208-Q211 PolarHBondContact O-N 3.23Å; L209-Q211 PolarHBondContact O-N 2.95Å; Q211-Q213 HydrophobicContact CB-CG 4.02Å; Q211-Q213 PolarHBondContact O-N 3.24Å
212G95.4Very high96.8Very high72 Ų7258.7 Ų58.774%0.74231%0.312SS*.THydrogen-bonded Turntrans7017.4-175.100000113.6A208 L209A208-G212 PolarHBondContact O-N 3.05Å; A208-G212 VanDerWaalsContact O-N 3.13Å; L209-G212 PolarHBondContact O-N 3.08Å
213Q97.5Very high97.1Very high93 Ų9357.8 Ų57.844%0.43531%0.305SS..  trans-80.3151.2176.2-63.7179.9-34.400110.6A208 Q211A208-Q213 HydrophobicContact CB-CB 4.02Å; A208-Q213 WeakPolarHBondContact O-CB 3.48Å; A208-Q213 PolarHBondContact O-N 2.9Å; Q211-Q213 HydrophobicContact CB-CG 4.02Å; Q211-Q213 PolarHBondContact O-N 3.24Å
214S97.8Very high97.3Very high93 Ų9355.6 Ų55.665%0.6529%0.29SS*.  trans-67.3137.4175.1-176.70000111.2K216S214-K216 WeakPolarHBondContact OG-CB 3.48Å; S214-K216 PolarHBondContact OG-N 3.07Å
215V98.3Very high97.5Very high4 Ų455.1 Ų55.12%0.02430%0.296CS..  trans-116.714.9167.8-62.50000111.9I205 A208 L209 L218 I219 I224I205-V215 HydrophobicContact CD1-CB 4.09Å; I205-V215 HydrophobicContact CD1-CG1 4.03Å; I205-V215 HydrophobicContact CG2-CG1 4.24Å; A208-V215 HydrophobicContact CB-CG1 3.64Å; L209-V215 HydrophobicContact CD2-CG1 4.34Å; L209-V215 HydrophobicContact CD2-CG2 3.7Å; L209-V215 HydrophobicContact CG-CG1 4.08Å; L209-V215 HydrophobicContact CG-CG2 4.14Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 2.92Å; V215-L218 VanDerWaalsContact O-N 3.13Å; V215-I219 HydrophobicContact CG2-CD1 3.93Å; V215-I219 HydrophobicContact CG2-CG1 4.3Å; V215-I224 HydrophobicContact CG2-CD1 4.45Å; V215-I224 HydrophobicContact CG2-CG1 4.28Å
216K98.3Very high97.5Very high81 Ų8156.6 Ų56.635%0.35230%0.301SS..BIsolated β-bridgetrans-57.1140.5176.2-164.8174.5178.165.90109.9S214 L218 D221 I224S214-K216 WeakPolarHBondContact OG-CB 3.48Å; S214-K216 PolarHBondContact OG-N 3.07Å; K216-L218 PolarHBondContact O-N 3.45Å; K216-D221 IonicContact NZ-OD1 3.67Å; K216-D221 PolarHBondContact NZ-OD1 3.23Å; K216-D221 IonicContact NZ-OD2 2.67Å; K216-D221 PolarHBondContact NZ-OD2 3.4Å; K216-I224 HydrophobicContact CB-CD1 4.28Å; K216-I224 HydrophobicContact CG-CD1 4.44Å
217Y97Very high97.6Very high180 Ų18055.3 Ų55.371%0.70630%0.297SS*.THydrogen-bonded Turntrans70.3-5.5-176.2-42.4-67.5000115.8N20N20-Y217 PolarHBondContact ND2-O 3.15Å
218L97.4Very high97.7Very high43 Ų4356.7 Ų56.723%0.22531%0.307CS..THydrogen-bonded Turntrans-95.4-28.2175.5-52.6-178000112.7N20 I200 Y204 I205 V215 K216N20-L218 WeakPolarHBondContact CB-O 3.22Å; N20-L218 PolarHBondContact N-O 3.37Å; I200-L218 HydrophobicContact CD1-CB 4.05Å; I200-L218 HydrophobicContact CD1-CD2 3.77Å; I200-L218 HydrophobicContact CG1-CD2 4.17Å; I200-L218 HydrophobicContact CG2-CB 4.12Å; Y204-L218 HydrophobicContact CD1-CD1 4.28Å; Y204-L218 HydrophobicContact CE1-CD1 3.54Å; I205-L218 HydrophobicContact CD1-CB 3.68Å; I205-L218 HydrophobicContact CD1-CD1 3.96Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 2.92Å; V215-L218 VanDerWaalsContact O-N 3.13Å; K216-L218 PolarHBondContact O-N 3.45Å
219I98.4Very high97.8Very high1 Ų162.1 Ų62.11%0.00534%0.336CS..BIsolated β-bridgetrans-132.9160.5172.771.5-177.3000108.7P17 T19 I205 V215 V223 I224 I227P17-I219 HydrophobicContact CG-CD1 4.49Å; T19-I219 HydrophobicContact CG2-CG2 3.83Å; I205-I219 HydrophobicContact CD1-CG2 3.81Å; I205-I219 HydrophobicContact CG1-CG2 3.92Å; I205-I219 HydrophobicContact CG2-CD1 4.18Å; I205-I219 HydrophobicContact CG2-CG2 4.19Å; V215-I219 HydrophobicContact CG2-CD1 3.93Å; V215-I219 HydrophobicContact CG2-CG1 4.3Å; I219-V223 HydrophobicContact CD1-CB 4.43Å; I219-V223 HydrophobicContact CD1-CG1 3.99Å; I219-I224 HydrophobicContact CD1-CG1 3.78Å; I219-I224 HydrophobicContact CG1-CD1 4.09Å; I219-I224 HydrophobicContact CG1-CG1 3.47Å; I219-I224 VanDerWaalsContact CG1-CG1 3.47Å; I219-I227 HydrophobicContact CD1-CD1 3.82Å
220P98.5Very high97.8Very high25 Ų2564.9 Ų64.916%0.16235%0.348CS..  trans-61.4143.5-179.5-24.235.5000112.5N20 L23 A71 A222 V223 I224N20-P220 VanDerWaalsContact OD1-CD 3.26Å; N20-P220 WeakPolarHBondContact OD1-CD 3.19Å; L23-P220 HydrophobicContact CD1-CG 3.85Å; A71-P220 HydrophobicContact CB-CG 3.86Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.91Å; P220-V223 HydrophobicContact CB-CG2 4.08Å; P220-V223 HydrophobicContact CG-CG2 4.2Å; P220-V223 WeakPolarHBondContact O-CA 3.39Å; P220-V223 WeakPolarHBondContact O-CB 3.43Å; P220-V223 PolarHBondContact O-N 3.15Å; P220-I224 PolarHBondContact O-N 3.46Å
221D98.7Very high97.9Very high83 Ų8366 Ų6644%0.44436%0.36SS..Hα-helixtrans-57.6-38.5-176.4-81.8-17.3000112.2K216 V223 I224 T225K216-D221 IonicContact NZ-OD1 3.67Å; K216-D221 PolarHBondContact NZ-OD1 3.23Å; K216-D221 IonicContact NZ-OD2 2.67Å; K216-D221 PolarHBondContact NZ-OD2 3.4Å; D221-V223 VanDerWaalsContact C-N 3.27Å; D221-V223 PolarHBondContact O-N 3.45Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.47Å; D221-I224 VanDerWaalsContact O-N 3.13Å; D221-T225 PolarHBondContact O-N 2.74Å; D221-T225 PolarHBondContact O-OG1 2.97Å
222A98.7Very high97.9Very high35 Ų3562.2 Ų62.229%0.28934%0.342SS..Hα-helixtrans-61.8-32.6175.700000113.3L70 P220 Y226L70-A222 HydrophobicContact CB-CB 4.12Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.91Å; A222-Y226 WeakPolarHBondContact O-CB 3.39Å; A222-Y226 PolarHBondContact O-N 3.34Å
223V98.8Very high97.9Very high0 Ų059.8 Ų59.80%031%0.311CS..Hα-helixtrans-72.2-38.1175.5-179.90000110.6P17 I18 M67 A71 I219 P220 D221 Y226 I227P17-V223 HydrophobicContact CB-CG1 4.32Å; I18-V223 HydrophobicContact CG2-CG1 4.38Å; I18-V223 HydrophobicContact CG2-CG2 3.99Å; M67-V223 HydrophobicContact CB-CG1 4.03Å; M67-V223 HydrophobicContact CB-CG2 4.46Å; M67-V223 HydrophobicContact CG-CG1 3.94Å; M67-V223 WeakPolarHBondContact O-CG2 3.08Å; M67-V223 HydrophobicContact SD-CG1 3.84Å; A71-V223 HydrophobicContact CB-CG2 3.87Å; I219-V223 HydrophobicContact CD1-CB 4.43Å; I219-V223 HydrophobicContact CD1-CG1 3.99Å; P220-V223 HydrophobicContact CB-CG2 4.08Å; P220-V223 HydrophobicContact CG-CG2 4.2Å; P220-V223 WeakPolarHBondContact O-CA 3.39Å; P220-V223 WeakPolarHBondContact O-CB 3.43Å; P220-V223 PolarHBondContact O-N 3.15Å; D221-V223 VanDerWaalsContact C-N 3.27Å; D221-V223 PolarHBondContact O-N 3.45Å; V223-Y226 PolarHBondContact O-N 3.18Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 WeakPolarHBondContact O-CB 3.06Å; V223-I227 VanDerWaalsContact O-CG1 3.25Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 3.27Å
224I98.7Very high97.5Very high41 Ų4158.2 Ų58.221%0.2131%0.308CS..Hα-helixtrans-60.7-47.5174.6-56.6175.2000110.2V215 K216 I219 P220 D221 I227 K228V215-I224 HydrophobicContact CG2-CD1 4.45Å; V215-I224 HydrophobicContact CG2-CG1 4.28Å; K216-I224 HydrophobicContact CB-CD1 4.28Å; K216-I224 HydrophobicContact CG-CD1 4.44Å; I219-I224 HydrophobicContact CD1-CG1 3.78Å; I219-I224 HydrophobicContact CG1-CD1 4.09Å; I219-I224 HydrophobicContact CG1-CG1 3.47Å; I219-I224 VanDerWaalsContact CG1-CG1 3.47Å; P220-I224 PolarHBondContact O-N 3.46Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.47Å; D221-I224 VanDerWaalsContact O-N 3.13Å; I224-I227 PolarHBondContact O-N 3.07Å; I224-K228 PolarHBondContact O-N 3.41Å
225T98.7Very high96.6Very high76 Ų7660.8 Ų60.847%0.46631%0.307SS..Hα-helixtrans-57.8-49.6176.2-590000110.9D221 I227 K228 D229D221-T225 PolarHBondContact O-N 2.74Å; D221-T225 PolarHBondContact O-OG1 2.97Å; T225-I227 PolarHBondContact O-N 2.95Å; T225-K228 WeakPolarHBondContact O-CB 3.33Å; T225-K228 PolarHBondContact O-N 2.79Å; T225-K228 VanDerWaalsContact O-N 3.15Å; T225-D229 WeakPolarHBondContact CG2-OD2 3.47Å; T225-D229 VanDerWaalsContact O-CG 3.22Å; T225-D229 PolarHBondContact O-N 3.42Å
226Y98.8Very high94.9Very high31 Ų3166.3 Ų66.312%0.12234%0.337CS..Hα-helixtrans-57.6-46.4178.2-173.4-89.6000113H63 A66 M67 L70 A222 V223 K228 D229 H230 L232H63-Y226 HydrophobicContact CB-CE1 4.11Å; H63-Y226 AromaticContact ND1-CE1 3.82Å; H63-Y226 AromaticContact ND1-CZ 3.79Å; H63-Y226 PolarHBondContact ND1-OH 2.67Å; A66-Y226 HydrophobicContact CB-CE1 4.33Å; A66-Y226 HydrophobicContact CB-CE2 3.83Å; M67-Y226 HydrophobicContact CG-CD1 3.36Å; M67-Y226 HydrophobicContact CG-CE1 3.84Å; M67-Y226 HydrophobicContact CG-CG 4.1Å; M67-Y226 HydrophobicContact SD-CD1 4.09Å; L70-Y226 HydrophobicContact CD1-CD2 3.58Å; L70-Y226 HydrophobicContact CD1-CG 3.79Å; A222-Y226 WeakPolarHBondContact O-CB 3.39Å; A222-Y226 PolarHBondContact O-N 3.34Å; V223-Y226 PolarHBondContact O-N 3.18Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 2.62Å; Y226-D229 PolarHBondContact O-N 3.43Å; Y226-H230 AromaticContact CD2-CE1 3.63Å; Y226-H230 AromaticContact CD2-ND1 3.86Å; Y226-H230 AromaticContact CE2-CE1 3.29Å; Y226-H230 WeakPolarHBondContact CE2-CE1 3.31Å; Y226-H230 AromaticContact CE2-ND1 3.77Å; Y226-H230 AromaticContact CE2-NE2 3.5Å; Y226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; Y226-H230 AromaticContact CZ-CD2 3.78Å; Y226-H230 AromaticContact CZ-CE1 3.71Å; Y226-H230 AromaticContact CZ-CG 3.98Å; Y226-H230 AromaticContact CZ-ND1 3.92Å; Y226-H230 AromaticContact CZ-NE2 3.59Å; Y226-H230 WeakPolarHBondContact O-CB 3.43Å; Y226-H230 PolarHBondContact O-N 3.26Å; Y226-H230 PolarHBondContact O-ND1 2.86Å; Y226-L232 HydrophobicContact CD1-CD1 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.98Å
227I98.5Very high92.9Very high6 Ų665.1 Ų65.13%0.03134%0.339CS..Hα-helixtrans-58.2-44.3177.4-74.7169.5000111P17 M67 L209 I219 V223 I224 T225 G231 L232 Y233P17-I227 HydrophobicContact CB-CD1 4.04Å; P17-I227 HydrophobicContact CG-CD1 3.99Å; M67-I227 HydrophobicContact SD-CD1 3.95Å; M67-I227 HydrophobicContact SD-CG1 3.56Å; M67-I227 VanDerWaalsContact SD-CG1 3.56Å; L209-I227 HydrophobicContact CD1-CD1 4.01Å; L209-I227 HydrophobicContact CD1-CG2 3.97Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; I219-I227 HydrophobicContact CD1-CD1 3.82Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 WeakPolarHBondContact O-CB 3.06Å; V223-I227 VanDerWaalsContact O-CG1 3.25Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 3.27Å; I224-I227 PolarHBondContact O-N 3.07Å; T225-I227 PolarHBondContact O-N 2.95Å; I227-G231 PolarHBondContact O-N 3.33Å; I227-G231 VanDerWaalsContact O-N 3.11Å; I227-L232 HydrophobicContact CG2-CB 4.28Å; I227-L232 PolarHBondContact O-N 3.24Å; I227-Y233 HydrophobicContact CD1-CD2 4.06Å; I227-Y233 HydrophobicContact CD1-CE2 3.94Å; I227-Y233 HydrophobicContact CG1-CD2 4.14Å; I227-Y233 HydrophobicContact CG1-CE2 4.02Å; I227-Y233 HydrophobicContact CG2-CD2 4.08Å
228K97.8Very high90.6Very high171 Ų17159.2 Ų59.274%0.74333%0.327SS*.Hα-helixtrans-64.8-48.9179.4-175.3-175176.4-171.60111.3I224 T225 Y226 H230 G231I224-K228 PolarHBondContact O-N 3.41Å; T225-K228 WeakPolarHBondContact O-CB 3.33Å; T225-K228 PolarHBondContact O-N 2.79Å; T225-K228 VanDerWaalsContact O-N 3.15Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 2.62Å; K228-H230 VanDerWaalsContact C-N 3.26Å; K228-H230 PolarHBondContact O-N 3.08Å; K228-G231 PolarHBondContact O-N 3.31Å
229D98.3Very high87.6Confident114 Ų11466.4 Ų66.461%0.6135%0.351SS*.Hα-helixtrans-66.1-29.7-175.5-65.4-12.7000112.4T225 Y226T225-D229 WeakPolarHBondContact CG2-OD2 3.47Å; T225-D229 VanDerWaalsContact O-CG 3.22Å; T225-D229 PolarHBondContact O-N 3.42Å; Y226-D229 PolarHBondContact O-N 3.43Å
230H97.9Very high84.8Confident94 Ų9474.8 Ų74.844%0.43539%0.387SS..THydrogen-bonded Turntrans-99.53.3180-6564.8000113.3H63 Y226 K228 L232H63-H230 AromaticContact CE1-CD2 3.78Å; H63-H230 AromaticContact ND1-CD2 3.94Å; Y226-H230 AromaticContact CD2-CE1 3.63Å; Y226-H230 AromaticContact CD2-ND1 3.86Å; Y226-H230 AromaticContact CE2-CE1 3.29Å; Y226-H230 WeakPolarHBondContact CE2-CE1 3.31Å; Y226-H230 AromaticContact CE2-ND1 3.77Å; Y226-H230 AromaticContact CE2-NE2 3.5Å; Y226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; Y226-H230 AromaticContact CZ-CD2 3.78Å; Y226-H230 AromaticContact CZ-CE1 3.71Å; Y226-H230 AromaticContact CZ-CG 3.98Å; Y226-H230 AromaticContact CZ-ND1 3.92Å; Y226-H230 AromaticContact CZ-NE2 3.59Å; Y226-H230 WeakPolarHBondContact O-CB 3.43Å; Y226-H230 PolarHBondContact O-N 3.26Å; Y226-H230 PolarHBondContact O-ND1 2.86Å; K228-H230 VanDerWaalsContact C-N 3.26Å; K228-H230 PolarHBondContact O-N 3.08Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 HydrophobicContact CB-CD1 4.26Å; H230-L232 HydrophobicContact CB-CD2 4.27Å; H230-L232 HydrophobicContact CB-CG 3.88Å; H230-L232 PolarHBondContact O-N 3.12Å
231G96.4Very high81.9Confident40 Ų4076.9 Ų76.941%0.41241%0.413SS..THydrogen-bonded Turntrans59.933178.200000114.5I227 K228 T234I227-G231 PolarHBondContact O-N 3.33Å; I227-G231 VanDerWaalsContact O-N 3.11Å; K228-G231 PolarHBondContact O-N 3.31Å; G231-T234 WeakPolarHBondContact O-CG2 3.36Å
232L96.6Very high79Confident24 Ų2480.6 Ų80.613%0.12643%0.426CS..THydrogen-bonded Turntrans-79.3150.5-176.4-56.7179.8000111.8H63 M67 Y226 I227 H230 T234H63-L232 HydrophobicContact CB-CD1 3.92Å; M67-L232 HydrophobicContact CE-CD1 4.34Å; M67-L232 HydrophobicContact SD-CD1 4.39Å; Y226-L232 HydrophobicContact CD1-CD1 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.98Å; I227-L232 HydrophobicContact CG2-CB 4.28Å; I227-L232 PolarHBondContact O-N 3.24Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 HydrophobicContact CB-CD1 4.26Å; H230-L232 HydrophobicContact CB-CD2 4.27Å; H230-L232 HydrophobicContact CB-CG 3.88Å; H230-L232 PolarHBondContact O-N 3.12Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.99Å
233Y94.9Very high75.9Confident21 Ų2183.5 Ų83.58%0.08244%0.444CS..THydrogen-bonded Turntrans6127.7173.4-46.6-61.5000115.6N16 P17 A59 M67 R206 L209 G210 I227N16-Y233 VanDerWaalsContact C-OH 3.31Å; N16-Y233 VanDerWaalsContact OD1-CE1 3.26Å; N16-Y233 WeakPolarHBondContact OD1-CE1 3.32Å; N16-Y233 PolarHBondContact OD1-OH 2.85Å; P17-Y233 HydrophobicContact CB-CE2 4Å; P17-Y233 HydrophobicContact CG-CE2 4.06Å; A59-Y233 HydrophobicContact CB-CE1 4Å; M67-Y233 HydrophobicContact CE-CE2 4.3Å; M67-Y233 WeakPolarHBondContact CE-OH 3.13Å; M67-Y233 HydrophobicContact SD-CE2 4.4Å; R206-Y233 HydrophobicContact CB-CD1 4.34Å; R206-Y233 HydrophobicContact CG-CD1 3.54Å; R206-Y233 HydrophobicContact CG-CE1 3.78Å; R206-Y233 HydrophobicContact CG-CG 3.98Å; L209-Y233 HydrophobicContact CD1-CD2 3.8Å; L209-Y233 HydrophobicContact CD1-CG 4.26Å; G210-Y233 WeakPolarHBondContact CA-O 3.42Å; G210-Y233 PolarHBondContact N-O 3.28Å; I227-Y233 HydrophobicContact CD1-CD2 4.06Å; I227-Y233 HydrophobicContact CD1-CE2 3.94Å; I227-Y233 HydrophobicContact CG1-CD2 4.14Å; I227-Y233 HydrophobicContact CG1-CE2 4.02Å; I227-Y233 HydrophobicContact CG2-CD2 4.08Å
234T89.5Confident72.9Confident60 Ų6089.4 Ų89.437%0.36848%0.48SS..  trans-76.2159.2173.455.50000112.3G231 L232 D236 S237G231-T234 WeakPolarHBondContact O-CG2 3.36Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.99Å; T234-D236 PolarHBondContact O-N 3.22Å; T234-D236 VanDerWaalsContact O-N 3.11Å; T234-S237 PolarHBondContact N-OG 2.9Å; T234-S237 PolarHBondContact O-N 3.49Å; T234-S237 VanDerWaalsContact O-N 3.08Å; T234-S237 PolarHBondContact O-OG 3.33Å; T234-S237 PolarHBondContact OG1-OG 3.44Å
235K78.4Confident69.9Low146 Ų14696.8 Ų96.864%0.63551%0.514SS*.THydrogen-bonded Turntrans-50.8-36.5175.4-95.6163.7-177-179.10113.4G210G210-K235 WeakPolarHBondContact O-CD 3.16Å; G210-K235 WeakPolarHBondContact O-CE 3.35Å; G210-K235 VanDerWaalsContact O-CG 3.22Å; G210-K235 WeakPolarHBondContact O-CG 3.5Å
236D62.2Low66.6Low121 Ų12198.7 Ų98.765%0.64753%0.53SS*.THydrogen-bonded Turntrans-77.6-24.8-176.8-59.4-30.3000113.4T234 A238 W239 K240T234-D236 PolarHBondContact O-N 3.22Å; T234-D236 VanDerWaalsContact O-N 3.11Å; D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 2.94Å; D236-W239 PolarHBondContact O-N 3.36Å; D236-W239 VanDerWaalsContact O-N 3.14Å; D236-K240 PolarHBondContact O-N 3.07Å
237S57.8Low63.8Low56 Ų56102 Ų10239%0.39256%0.563SS.*THydrogen-bonded Turntrans-71.6-24.5176.448.60000112.7T234 W239T234-S237 PolarHBondContact N-OG 2.9Å; T234-S237 PolarHBondContact O-N 3.49Å; T234-S237 VanDerWaalsContact O-N 3.08Å; T234-S237 PolarHBondContact O-OG 3.33Å; T234-S237 PolarHBondContact OG1-OG 3.44Å; S237-W239 VanDerWaalsContact C-N 3.35Å
238A48.3Very low60.5Low55 Ų55111 Ų11146%0.45561%0.606SS.*THydrogen-bonded Turntrans-75.5-20.3169.600000113.5D236D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 2.94Å
239W34.8Very low57.3Low194 Ų194106.1 Ų106.174%0.73560%0.604SS**THydrogen-bonded Turntrans-87.2-29.8-179.8-153.2-62000112.7D236 S237 G241 K242D236-W239 PolarHBondContact O-N 3.36Å; D236-W239 VanDerWaalsContact O-N 3.14Å; S237-W239 VanDerWaalsContact C-N 3.35Å; W239-G241 PolarHBondContact O-N 3.25Å; W239-G241 VanDerWaalsContact O-N 3.16Å; W239-K242 PolarHBondContact O-N 3.28Å
240K38.3Very low53.9Low177 Ų177110.2 Ų110.277%0.7762%0.616SS**G310 helixtrans-64.1-17.6176.6-76.5-171.6176.9-177.60114.4D236 K242D236-K240 PolarHBondContact O-N 3.07Å; K240-K242 VanDerWaalsContact C-N 3.32Å
241G38.8Very low50.5Low69 Ų69111.8 Ų111.871%0.71163%0.633SS**G310 helixtrans-81.4-1.2172.800000115.2W239W239-G241 PolarHBondContact O-N 3.25Å; W239-G241 VanDerWaalsContact O-N 3.16Å
242K37.7Very low47.3Very low162 Ų162119.1 Ų119.170%0.70468%0.678SS**G310 helixtrans-101.9-1.8-176.5-85.6-173.8174.2-177.60115.3W239 K240W239-K242 PolarHBondContact O-N 3.28Å; K240-K242 VanDerWaalsContact C-N 3.32Å
243S33.4Very low44.9Very low95 Ų95123.9 Ų123.966%0.66471%0.706SS**SBendtrans-107.318.1-17058.50000116.4
244T35.7Very low42.2Very low124 Ų124129.3 Ų129.376%0.76174%0.738SS**SBendtrans-13945.5174.451.90000113.9
245Q34.7Very low39.6Very low196 Ų196133.2 Ų133.292%0.91676%0.759SS**  trans-131.179.1151-77.8-173.2-000107.8
246S30.8Very low37.3Very low117 Ų117132.4 Ų132.482%0.81877%0.766SS**  trans-68131.2156.748.40000107.9E248S246-E248 PolarHBondContact O-N 3.02Å
247A39.4Very low35.8Very low99 Ų99133.1 Ų133.182%0.81877%0.774SS**  trans-48.1127.6175.100000112.4
248E29.9Very low34.3Very low196 Ų196138.3 Ų138.392%0.91680%0.799SS**  trans-149.8109.9145.8-108.4173.9-161.200106.9S246S246-E248 PolarHBondContact O-N 3.02Å
249G28.9Very low33.3Very low69 Ų69144.2 Ų144.271%0.71182%0.824SS**  trans-72.4160176.700000112
250K27.4Very low33.2Very low199 Ų199140.4 Ų140.487%0.86583%0.831SS**  trans-171.2122131.6-101.9160.1-173.2179.40111
251T25.9Very low32.8Very low127 Ų127137.3 Ų137.378%0.77984%0.836SS**  trans-14.5124.9141.848.60000115.8
252S30.8Very low32.2Very low195 Ų195143.5 Ų143.5100%1.36485%0.847SS**  174.4097.3-100.90000110.1

Retrieved 252 of 252 residues in 671.4 ms (Link to these results)