A0A024RCL3_HUMAN Loading...

MHC class I polypeptide-related sequence A

AlphaFold DB , UniProt , Accession A0A024RCL3, Species HUMAN (Homo sapiens, Human), Gene MICA, Length 235 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
1M57Low64.2Low86 Ų86110.4 Ų110.442%0.42455%0.553SS.*  0134.10-177.7176.161.700107.7L16 E18 F36 V68M1-L16 HydrophobicContact CE-CD1 3.69Å; M1-L16 HydrophobicContact CE-CD2 3.33Å; M1-L16 HydrophobicContact CE-CG 3.43Å; M1-L16 VanDerWaalsContact CE-CG 3.43Å; M1-L16 HydrophobicContact CG-CD2 3.85Å; M1-L16 HydrophobicContact SD-CD2 3.88Å; M1-E18 HydrophobicContact CE-CB 4.46Å; M1-F36 HydrophobicContact CE-CD1 3.43Å; M1-F36 VanDerWaalsContact CE-CD1 3.43Å; M1-F36 HydrophobicContact CE-CE1 3.6Å; M1-F36 HydrophobicContact SD-CD1 4.02Å; M1-F36 HydrophobicContact SD-CE1 3.87Å; M1-V68 HydrophobicContact SD-CG1 4.02Å; M1-V68 HydrophobicContact SD-CG2 4.39Å
2T59.4Low65.1Low83 Ų83106.2 Ų106.251%0.50956%0.558SS.*  trans-115.4146.9178.252.90000110.5A4 H5T2-A4 PolarHBondContact O-N 3.46Å; T2-H5 PolarHBondContact O-N 3.03Å
3L67.5Low66.4Low62 Ų62111.5 Ų111.533%0.32559%0.586SS.*G310 helixtrans-57.5-20179.4-153.8123.5000113H5 I6 H14 L16 Y38L3-H5 PolarHBondContact O-N 3.21Å; L3-I6 PolarHBondContact O-N 3.38Å; L3-H14 HydrophobicContact CD1-CB 4Å; L3-H14 HydrophobicContact CD2-CB 3.62Å; L3-H14 HydrophobicContact CG-CB 4.39Å; L3-L16 HydrophobicContact CD1-CB 3.71Å; L3-L16 HydrophobicContact CG-CB 4.47Å; L3-Y38 HydrophobicContact CD1-CE2 4.3Å; L3-Y38 HydrophobicContact CG-CE2 4.36Å
4A64.7Low67.8Low85 Ų85106.5 Ų106.570%0.70256%0.558SS**G310 helixtrans-56.7-22.6-178.500000115.3T2T2-A4 PolarHBondContact O-N 3.46Å
5H64.5Low69.3Low93 Ų93102.3 Ų102.343%0.43154%0.541SS..G310 helixtrans-95.6-4.9-178.4-62.784.8000113.3T2 L3 F71T2-H5 PolarHBondContact O-N 3.03Å; L3-H5 PolarHBondContact O-N 3.21Å; H5-F71 HydrophobicContact CB-CD2 4.22Å; H5-F71 AromaticContact CD2-CD2 3.71Å; H5-F71 AromaticContact CD2-CE2 3.81Å; H5-F71 AromaticContact CE1-CE2 3.67Å; H5-F71 AromaticContact CG-CD2 3.75Å; H5-F71 AromaticContact CG-CE2 3.81Å; H5-F71 AromaticContact ND1-CE2 3.72Å; H5-F71 AromaticContact NE2-CE2 3.74Å
6I66.9Low70.7Confident13 Ų1398.3 Ų98.37%0.06752%0.52CS..SBendtrans-94.2104.9172.6-62.1178.8000107.7L3 D8 L16 Y38 L64 V68L3-I6 PolarHBondContact O-N 3.38Å; I6-D8 PolarHBondContact O-N 3.18Å; I6-D8 VanDerWaalsContact O-N 3.15Å; I6-L16 HydrophobicContact CD1-CD1 3.65Å; I6-L16 HydrophobicContact CD1-CD2 3.74Å; I6-L16 HydrophobicContact CD1-CG 4.23Å; I6-Y38 HydrophobicContact CB-CE2 4.08Å; I6-Y38 HydrophobicContact CD1-CD2 3.59Å; I6-Y38 HydrophobicContact CD1-CE2 3.85Å; I6-Y38 HydrophobicContact CG2-CD2 4.06Å; I6-Y38 HydrophobicContact CG2-CE2 3.54Å; I6-L64 HydrophobicContact CG2-CD2 3.35Å; I6-V68 HydrophobicContact CD1-CG2 4.38Å; I6-V68 HydrophobicContact CG1-CG2 4.48Å
7K64.6Low72.1Confident194 Ų19497.9 Ų97.984%0.84351%0.514SS*.  trans-7895.1176.2-66.3-176.3-179.1179.60109.6
8D67Low73.2Confident51 Ų5196.7 Ų96.727%0.27351%0.506SS..  trans-106.3135.9163.2-157.2-22.8000108.6I6 K10 H14 Y38 R60I6-D8 PolarHBondContact O-N 3.18Å; I6-D8 VanDerWaalsContact O-N 3.15Å; D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact OD1-N 2.96Å; D8-H14 IonicContact OD2-CE1 2.67Å; D8-Y38 WeakPolarHBondContact CB-OH 3.29Å; D8-R60 IonicContact OD2-NH2 2.68Å; D8-R60 PolarHBondContact OD2-NH2 3.11Å
9Q59.7Low74.3Confident199 Ų19995.7 Ų95.793%0.9350%0.5SS*.  trans-90.21.1-179.2-74.1-172-18.900112.4
10K67.1Low75.2Confident144 Ų14498.5 Ų98.563%0.62650%0.503SS*.  trans-82.3129.1178.9-70.5-175.1175-176.80110.5D8 H14D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact OD1-N 2.96Å; K10-H14 PolarHBondContact O-NE2 3.27Å
11E67.7Low76.1Confident204 Ų20496 Ų9695%0.95349%0.493SS*.  trans-71127.5165.7-65.8-175.4164.400108.7
12G74.7Confident77.8Confident60 Ų6092.8 Ų92.862%0.61948%0.479SS*.SBendtrans160.8176.8-178.700000113.9
13L81.9Confident79.3Confident175 Ų17593 Ų9392%0.91647%0.474SS*.  trans-79.6125.6170.3-172.575000108.7
14H86.8Confident80.4Confident42 Ų4292.5 Ų92.519%0.19447%0.471CS..  trans-116.8149.6176.2-67.7-67.6000111.1L3 D8 K10 Y38 D39L3-H14 HydrophobicContact CD1-CB 4Å; L3-H14 HydrophobicContact CD2-CB 3.62Å; L3-H14 HydrophobicContact CG-CB 4.39Å; D8-H14 IonicContact OD2-CE1 2.67Å; K10-H14 PolarHBondContact O-NE2 3.27Å; H14-Y38 HydrophobicContact CB-CE2 4.4Å; H14-Y38 AromaticContact ND1-CE1 3.94Å; H14-Y38 AromaticContact ND1-CZ 3.76Å; H14-Y38 PolarHBondContact ND1-OH 2.94Å; H14-Y38 VanDerWaalsContact ND1-OH 3.16Å; H14-D39 VanDerWaalsContact CA-OD1 3.23Å; H14-D39 WeakPolarHBondContact CA-OD1 3.15Å; H14-D39 IonicContact CE1-OD2 3.65Å; H14-D39 IonicContact CG-OD2 3.76Å; H14-D39 IonicContact ND1-OD1 3.3Å; H14-D39 IonicContact ND1-OD2 3Å; H14-D39 PolarHBondContact ND1-OD2 2.84Å
15S90.3Very high81.5Confident44 Ų4491.4 Ų91.431%0.30845%0.451SS..  trans-130.9141.1178.264.90000111.3Y38 D39S15-Y38 WeakPolarHBondContact O-CA 3.5Å; S15-D39 PolarHBondContact N-OD1 2.85Å; S15-D39 PolarHBondContact O-N 2.85Å; S15-D39 WeakPolarHBondContact OG-CA 3.28Å
16L91.3Very high82.4Confident37 Ų3795.8 Ų95.819%0.19447%0.472CS..EExtended strand (participates in β ladder)trans-128.5123.8174.8178.960.8000107.8M1 L3 I6 Y37 Y38 F43M1-L16 HydrophobicContact CE-CD1 3.69Å; M1-L16 HydrophobicContact CE-CD2 3.33Å; M1-L16 HydrophobicContact CE-CG 3.43Å; M1-L16 VanDerWaalsContact CE-CG 3.43Å; M1-L16 HydrophobicContact CG-CD2 3.85Å; M1-L16 HydrophobicContact SD-CD2 3.88Å; L3-L16 HydrophobicContact CD1-CB 3.71Å; L3-L16 HydrophobicContact CG-CB 4.47Å; I6-L16 HydrophobicContact CD1-CD1 3.65Å; I6-L16 HydrophobicContact CD1-CD2 3.74Å; I6-L16 HydrophobicContact CD1-CG 4.23Å; L16-Y37 WeakPolarHBondContact CA-O 3.5Å; L16-Y37 WeakPolarHBondContact CD1-O 3.14Å; L16-Y38 HydrophobicContact CD1-CD2 4.39Å; L16-F43 HydrophobicContact CD1-CE1 3.88Å; L16-F43 HydrophobicContact CD1-CZ 4Å
17Q94.1Very high83.5Confident92 Ų92100.8 Ų100.843%0.4350%0.499SS..EExtended strand (participates in β ladder)trans-121.1139.7-179.3-53.2177.615.600109.8F36 Y37Q17-F36 WeakPolarHBondContact O-CA 3.27Å; Q17-Y37 PolarHBondContact N-O 2.94Å; Q17-Y37 PolarHBondContact O-N 3.19Å
18E93Very high84.6Confident77 Ų7797.8 Ų97.836%0.3649%0.492SS..EExtended strand (participates in β ladder)trans-121.4111.7173.3-177.9-167.4148.900107.5M1 R20 Q34 H35 F36M1-E18 HydrophobicContact CE-CB 4.46Å; E18-R20 WeakPolarHBondContact OE1-CD 3.41Å; E18-R20 IonicContact OE1-NE 2.75Å; E18-R20 PolarHBondContact OE1-NE 3.1Å; E18-Q34 HydrophobicContact CG-CG 4.12Å; E18-Q34 PolarHBondContact OE1-NE2 3.26Å; E18-H35 WeakPolarHBondContact CA-O 3.47Å; E18-F36 HydrophobicContact CB-CD1 4.24Å; E18-F36 HydrophobicContact CB-CE1 4.2Å; E18-F36 HydrophobicContact CG-CD1 4.14Å; E18-F36 HydrophobicContact CG-CE1 3.7Å; E18-F36 HydrophobicContact CG-CZ 4.28Å
19I94.3Very high85.7Confident78 Ų7897.6 Ų97.640%0.450%0.495SS..EExtended strand (participates in β ladder)trans-107.5120.1178.8-57.5-179.6000108.1Q34 H35 Y37I19-Q34 CarbonylContact O-C 3.54Å; I19-Q34 WeakPolarHBondContact O-CA 3.42Å; I19-H35 HydrophobicContact CB-CB 4.48Å; I19-H35 PolarHBondContact N-O 2.92Å; I19-H35 PolarHBondContact O-N 2.79Å; I19-Y37 HydrophobicContact CD1-CD2 4.16Å; I19-Y37 HydrophobicContact CD1-CE2 3.84Å; I19-Y37 HydrophobicContact CG1-CD2 4.45Å; I19-Y37 HydrophobicContact CG1-CE2 4.34Å
20R91.5Very high87.3Confident150 Ų15089.9 Ų89.957%0.56646%0.461SS*.EExtended strand (participates in β ladder)trans-109.6129.3174.4-68.4175.4-72.3163.10.6108.4E18 Q34 M86E18-R20 WeakPolarHBondContact OE1-CD 3.41Å; E18-R20 IonicContact OE1-NE 2.75Å; E18-R20 PolarHBondContact OE1-NE 3.1Å; R20-Q34 HydrophobicContact CG-CB 4.26Å; R20-Q34 HydrophobicContact CG-CG 3.87Å; R20-M86 WeakPolarHBondContact CD-SD 3.45Å; R20-M86 HydrophobicContact CG-SD 4.25Å
21V94.2Very high88.4Confident47 Ų4790.5 Ų90.529%0.28546%0.46SS..EExtended strand (participates in β ladder)trans-131.5140.6-177.963.80000109.6E23 S32 S33V21-E23 HydrophobicContact CG2-CG 4.27Å; V21-S32 CarbonylContact O-C 3.51Å; V21-S32 WeakPolarHBondContact O-CA 3.13Å; V21-S32 WeakPolarHBondContact O-CB 3.37Å; V21-S33 WeakPolarHBondContact CG1-OG 3.4Å; V21-S33 PolarHBondContact N-O 2.94Å; V21-S33 PolarHBondContact O-N 2.84Å
22C92.8Very high89.5Confident18 Ų1881 Ų8112%0.12242%0.416CS..EExtended strand (participates in β ladder)trans-133.7145.116655.30000109.5R31 C90 L91C22-R31 CarbonylContact C-O 3.59Å; C22-R31 WeakPolarHBondContact CA-O 3.07Å; C22-C90 HydrophobicContact CB-CB 3.77Å; C22-C90 WeakPolarHBondContact CB-SG 3.06Å; C22-C90 WeakPolarHBondContact SG-CB 3.34Å; C22-C90 PolarHBondContact SG-O 3.48Å; C22-C90 CovalentContact SG-SG 2.04Å; C22-C90 PolarHBondContact SG-SG 2.98Å; C22-L91 HydrophobicContact CB-CD2 3.87Å; C22-L91 HydrophobicContact CB-CG 4.23Å
23E91.7Very high90.5Very high87 Ų8779.5 Ų79.541%0.40740%0.396SS..EExtended strand (participates in β ladder)trans-129.8145.1-175.5-59177.7-179.400108.7V21 H25 T30 R31V21-E23 HydrophobicContact CG2-CG 4.27Å; E23-H25 IonicContact OE2-CE1 3.64Å; E23-H25 PolarHBondContact OE2-CE1 2.94Å; E23-H25 IonicContact OE2-NE2 3.96Å; E23-T30 VanDerWaalsContact O-CA 3.31Å; E23-T30 WeakPolarHBondContact O-CA 3.5Å; E23-R31 HydrophobicContact CB-CB 4.31Å; E23-R31 PolarHBondContact N-O 3.05Å; E23-R31 PolarHBondContact O-N 2.98Å; E23-R31 VanDerWaalsContact O-N 3.07Å
24I89.6Confident91Very high52 Ų5271.5 Ų71.527%0.26735%0.354SS..EExtended strand (participates in β ladder)trans-120.9115.2168.3-61.7168.5000105.9L91 L94 R95 L98I24-L91 HydrophobicContact CD1-CD2 4.41Å; I24-L91 HydrophobicContact CG1-CD2 3.9Å; I24-L94 HydrophobicContact CD1-CD2 3.84Å; I24-L94 HydrophobicContact CD1-CG 4.05Å; I24-L94 HydrophobicContact CG1-CD2 3.85Å; I24-R95 HydrophobicContact CD1-CG 3.75Å; I24-L98 HydrophobicContact CD1-CD1 4.27Å
25H88.7Confident91.4Very high62 Ų6271.6 Ų71.629%0.28735%0.354SS..  trans-82.8171.3179.2-63.3-70.6000111.6E23 D27 N28 S29 R31E23-H25 IonicContact OE2-CE1 3.64Å; E23-H25 PolarHBondContact OE2-CE1 2.94Å; E23-H25 IonicContact OE2-NE2 3.96Å; H25-D27 VanDerWaalsContact C-N 3.26Å; H25-D27 WeakPolarHBondContact CB-OD1 3.33Å; H25-D27 PolarHBondContact O-N 3.4Å; H25-N28 PolarHBondContact O-N 3.29Å; H25-S29 WeakPolarHBondContact CB-OG 3.38Å; H25-S29 PolarHBondContact CD2-OG 2.72Å; H25-S29 VanDerWaalsContact CD2-OG 3.31Å; H25-S29 PolarHBondContact N-O 3.27Å; H25-R31 WeakPolarHBondContact NE2-CD 3.38Å; H25-R31 WeakPolarHBondContact NE2-CG 3.47Å; H25-R31 PolarHBondContact NE2-NE 3Å
26E83.6Confident91.7Very high186 Ų18669.5 Ų69.587%0.86934%0.34SS*.THydrogen-bonded Turntrans-63.5-30.5-178-63.9-176171.100113.2N28E26-N28 PolarHBondContact O-N 3.47Å
27D89.6Confident91.9Very high117 Ų11770.6 Ų70.663%0.62634%0.342SS*.THydrogen-bonded Turntrans-81.88.7175.767.2-11.7000113.4H25 S29H25-D27 VanDerWaalsContact C-N 3.26Å; H25-D27 WeakPolarHBondContact CB-OD1 3.33Å; H25-D27 PolarHBondContact O-N 3.4Å; D27-S29 PolarHBondContact O-N 2.92Å; D27-S29 WeakPolarHBondContact OD1-CB 3.04Å; D27-S29 PolarHBondContact OD1-N 2.91Å; D27-S29 PolarHBondContact OD1-OG 2.63Å; D27-S29 PolarHBondContact OD2-OG 3.12Å
28N86.3Confident91.8Very high131 Ų13166.4 Ų66.470%0.70132%0.322SS*.SBendtrans62.610-171.5-59.5-51.8000115.1H25 E26H25-N28 PolarHBondContact O-N 3.29Å; E26-N28 PolarHBondContact O-N 3.47Å
29S91.9Very high91.8Very high47 Ų4765.5 Ų65.533%0.32932%0.319SS..  trans-65.3146.4166.767.70000109.8H25 D27H25-S29 WeakPolarHBondContact CB-OG 3.38Å; H25-S29 PolarHBondContact CD2-OG 2.72Å; H25-S29 VanDerWaalsContact CD2-OG 3.31Å; H25-S29 PolarHBondContact N-O 3.27Å; D27-S29 PolarHBondContact O-N 2.92Å; D27-S29 WeakPolarHBondContact OD1-CB 3.04Å; D27-S29 PolarHBondContact OD1-N 2.91Å; D27-S29 PolarHBondContact OD1-OG 2.63Å; D27-S29 PolarHBondContact OD2-OG 3.12Å
30T91.6Very high91.7Very high38 Ų3864.1 Ų64.123%0.23333%0.325CS..EExtended strand (participates in β ladder)trans-104.7157176.3610000109.5E23 E49 L91E23-T30 VanDerWaalsContact O-CA 3.31Å; E23-T30 WeakPolarHBondContact O-CA 3.5Å; T30-E49 PolarHBondContact OG1-OE1 3.07Å; T30-L91 HydrophobicContact CG2-CD1 3.73Å; T30-L91 HydrophobicContact CG2-CD2 3.85Å; T30-L91 HydrophobicContact CG2-CG 4.48Å
31R90.7Very high91.9Very high156 Ų15662.7 Ų62.759%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-135.2147.3159.6-70.2-175.7-175-160.7-2.4108.3C22 E23 H25 E49C22-R31 CarbonylContact C-O 3.59Å; C22-R31 WeakPolarHBondContact CA-O 3.07Å; E23-R31 HydrophobicContact CB-CB 4.31Å; E23-R31 PolarHBondContact N-O 3.05Å; E23-R31 PolarHBondContact O-N 2.98Å; E23-R31 VanDerWaalsContact O-N 3.07Å; H25-R31 WeakPolarHBondContact NE2-CD 3.38Å; H25-R31 WeakPolarHBondContact NE2-CG 3.47Å; H25-R31 PolarHBondContact NE2-NE 3Å; R31-E49 WeakPolarHBondContact CA-OE1 3.49Å; R31-E49 PolarHBondContact N-OE1 2.59Å
32S91.8Very high92.1Very high5 Ų563.5 Ų63.54%0.03533%0.327CS..EExtended strand (participates in β ladder)trans-153149.9163.164.30000112.8V21 L48 H87V21-S32 CarbonylContact O-C 3.51Å; V21-S32 WeakPolarHBondContact O-CA 3.13Å; V21-S32 WeakPolarHBondContact O-CB 3.37Å; S32-L48 PolarHBondContact O-N 3.27Å; S32-L48 WeakPolarHBondContact OG-CB 3.01Å; S32-H87 PolarHBondContact OG-CD2 3.49Å; S32-H87 PolarHBondContact OG-NE2 2.9Å
33S94.3Very high92.2Very high28 Ų2862.8 Ų62.820%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-153.4158.5-175.350.70000111.5V21 H35 Q46V21-S33 WeakPolarHBondContact CG1-OG 3.4Å; V21-S33 PolarHBondContact N-O 2.94Å; V21-S33 PolarHBondContact O-N 2.84Å; S33-H35 PolarHBondContact OG-CE1 3.29Å; S33-Q46 CarbonylContact C-O 3.59Å; S33-Q46 WeakPolarHBondContact CA-O 3.39Å; S33-Q46 VanDerWaalsContact CB-O 3.25Å; S33-Q46 WeakPolarHBondContact CB-O 3.43Å
34Q93.5Very high92.5Very high8 Ų858.6 Ų58.64%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-123.5137.9173.3-177.2-178.740.100108.9E18 I19 R20 F36 S45 Q46 L48 M86E18-Q34 HydrophobicContact CG-CG 4.12Å; E18-Q34 PolarHBondContact OE1-NE2 3.26Å; I19-Q34 CarbonylContact O-C 3.54Å; I19-Q34 WeakPolarHBondContact O-CA 3.42Å; R20-Q34 HydrophobicContact CG-CB 4.26Å; R20-Q34 HydrophobicContact CG-CG 3.87Å; Q34-F36 HydrophobicContact CG-CD2 4.48Å; Q34-F36 HydrophobicContact CG-CE2 3.76Å; Q34-F36 HydrophobicContact CG-CZ 3.85Å; Q34-S45 CarbonylContact O-C 3.59Å; Q34-S45 WeakPolarHBondContact O-CA 3.48Å; Q34-Q46 PolarHBondContact N-O 3Å; Q34-Q46 PolarHBondContact O-N 3.24Å; Q34-L48 HydrophobicContact CB-CD2 4.41Å; Q34-M86 HydrophobicContact CB-CE 4.3Å
35H95.9Very high92.8Very high44 Ų4457 Ų5720%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-131138.1-176.9-5588.6000110E18 I19 S33 Y37 L42 S45E18-H35 WeakPolarHBondContact CA-O 3.47Å; I19-H35 HydrophobicContact CB-CB 4.48Å; I19-H35 PolarHBondContact N-O 2.92Å; I19-H35 PolarHBondContact O-N 2.79Å; S33-H35 PolarHBondContact OG-CE1 3.29Å; H35-Y37 HydrophobicContact CB-CD2 4.28Å; H35-Y37 HydrophobicContact CB-CE2 3.51Å; H35-L42 HydrophobicContact CB-CD1 4.09Å; H35-S45 VanDerWaalsContact CD2-CB 3.48Å; H35-S45 WeakPolarHBondContact CD2-CB 3.18Å
36F95.1Very high93.1Very high0 Ų054.3 Ų54.30%028%0.283CS..EExtended strand (participates in β ladder)trans-117.6125.4178.3-60.2-88000110.1M1 Q17 E18 Q34 F43 L44 W53 L72M1-F36 HydrophobicContact CE-CD1 3.43Å; M1-F36 VanDerWaalsContact CE-CD1 3.43Å; M1-F36 HydrophobicContact CE-CE1 3.6Å; M1-F36 HydrophobicContact SD-CD1 4.02Å; M1-F36 HydrophobicContact SD-CE1 3.87Å; Q17-F36 WeakPolarHBondContact O-CA 3.27Å; E18-F36 HydrophobicContact CB-CD1 4.24Å; E18-F36 HydrophobicContact CB-CE1 4.2Å; E18-F36 HydrophobicContact CG-CD1 4.14Å; E18-F36 HydrophobicContact CG-CE1 3.7Å; E18-F36 HydrophobicContact CG-CZ 4.28Å; Q34-F36 HydrophobicContact CG-CD2 4.48Å; Q34-F36 HydrophobicContact CG-CE2 3.76Å; Q34-F36 HydrophobicContact CG-CZ 3.85Å; F36-F43 HydrophobicContact CB-CD1 4.39Å; F36-F43 HydrophobicContact CB-CE1 3.67Å; F36-F43 HydrophobicContact CB-CE2 3.97Å; F36-F43 HydrophobicContact CB-CZ 3.43Å; F36-F43 VanDerWaalsContact CB-CZ 3.43Å; F36-F43 HydrophobicContact CG-CZ 4.38Å; F36-F43 VanDerWaalsContact O-CD1 3.27Å; F36-F43 WeakPolarHBondContact O-CD1 3.48Å; F36-F43 PolarHBondContact O-N 2.9Å; F36-L44 HydrophobicContact CB-CB 4.2Å; F36-L44 HydrophobicContact CD2-CB 4.12Å; F36-L44 HydrophobicContact CD2-CD2 3.91Å; F36-L44 HydrophobicContact CD2-CG 4Å; F36-L44 HydrophobicContact CE2-CD2 4.27Å; F36-L44 PolarHBondContact N-O 3.09Å; F36-W53 HydrophobicContact CE2-CH2 4.48Å; F36-W53 HydrophobicContact CE2-CZ3 4.1Å; F36-L72 HydrophobicContact CZ-CD1 4.14Å
37Y95.4Very high93.5Very high60 Ų6048.2 Ų48.224%0.23526%0.256CS..EExtended strand (participates in β ladder)trans-118.7137.4178.9-61.4-103.8000110.2L16 Q17 I19 H35 E41 L42L16-Y37 WeakPolarHBondContact CA-O 3.5Å; L16-Y37 WeakPolarHBondContact CD1-O 3.14Å; Q17-Y37 PolarHBondContact N-O 2.94Å; Q17-Y37 PolarHBondContact O-N 3.19Å; I19-Y37 HydrophobicContact CD1-CD2 4.16Å; I19-Y37 HydrophobicContact CD1-CE2 3.84Å; I19-Y37 HydrophobicContact CG1-CD2 4.45Å; I19-Y37 HydrophobicContact CG1-CE2 4.34Å; H35-Y37 HydrophobicContact CB-CD2 4.28Å; H35-Y37 HydrophobicContact CB-CE2 3.51Å; Y37-E41 CarbonylContact C-O 3.56Å; Y37-E41 WeakPolarHBondContact CA-O 3.38Å; Y37-L42 HydrophobicContact CD1-CB 3.88Å; Y37-L42 HydrophobicContact CD1-CD1 4.47Å; Y37-L42 VanDerWaalsContact CD1-N 3.31Å; Y37-L42 HydrophobicContact CD2-CD1 4.48Å; Y37-L42 HydrophobicContact CE1-CB 3.58Å; Y37-L42 HydrophobicContact CE1-CD1 4.05Å; Y37-L42 HydrophobicContact CE1-CG 4.36Å; Y37-L42 HydrophobicContact CE2-CD1 4.05Å
38Y93.4Very high93.4Very high3 Ų342.9 Ų42.91%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-122123174.5-171.4-98.7000108.3L3 I6 D8 H14 S15 L16 G40 E41 L64L3-Y38 HydrophobicContact CD1-CE2 4.3Å; L3-Y38 HydrophobicContact CG-CE2 4.36Å; I6-Y38 HydrophobicContact CB-CE2 4.08Å; I6-Y38 HydrophobicContact CD1-CD2 3.59Å; I6-Y38 HydrophobicContact CD1-CE2 3.85Å; I6-Y38 HydrophobicContact CG2-CD2 4.06Å; I6-Y38 HydrophobicContact CG2-CE2 3.54Å; D8-Y38 WeakPolarHBondContact CB-OH 3.29Å; H14-Y38 HydrophobicContact CB-CE2 4.4Å; H14-Y38 AromaticContact ND1-CE1 3.94Å; H14-Y38 AromaticContact ND1-CZ 3.76Å; H14-Y38 PolarHBondContact ND1-OH 2.94Å; H14-Y38 VanDerWaalsContact ND1-OH 3.16Å; S15-Y38 WeakPolarHBondContact O-CA 3.5Å; L16-Y38 HydrophobicContact CD1-CD2 4.39Å; Y38-G40 PolarHBondContact O-N 2.86Å; Y38-G40 VanDerWaalsContact O-N 3.17Å; Y38-E41 PolarHBondContact N-O 3.18Å; Y38-E41 PolarHBondContact O-N 3.35Å; Y38-L64 HydrophobicContact CD1-CD1 4.12Å; Y38-L64 HydrophobicContact CG-CD1 4.18Å
39D92.4Very high93.3Very high58 Ų5840.1 Ų40.131%0.3121%0.211SC..THydrogen-bonded Turntrans51.936.3-174.9-62.8-19.4000113.5H14 S15 E41 R60H14-D39 VanDerWaalsContact CA-OD1 3.23Å; H14-D39 WeakPolarHBondContact CA-OD1 3.15Å; H14-D39 IonicContact CE1-OD2 3.65Å; H14-D39 IonicContact CG-OD2 3.76Å; H14-D39 IonicContact ND1-OD1 3.3Å; H14-D39 IonicContact ND1-OD2 3Å; H14-D39 PolarHBondContact ND1-OD2 2.84Å; S15-D39 PolarHBondContact N-OD1 2.85Å; S15-D39 PolarHBondContact O-N 2.85Å; S15-D39 WeakPolarHBondContact OG-CA 3.28Å; D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.89Å; D39-R60 IonicContact OD2-NH2 3.23Å
40G92.8Very high93.1Very high50 Ų5041.3 Ų41.352%0.51522%0.216SC..THydrogen-bonded Turntrans82.8-6.6-17900000115.1Y38Y38-G40 PolarHBondContact O-N 2.86Å; Y38-G40 VanDerWaalsContact O-N 3.17Å
41E95.3Very high92.8Very high120 Ų12042.2 Ų42.256%0.56122%0.218SC*.EExtended strand (participates in β ladder)trans-96.7130179.6-63.4-173162.600111.6Y37 Y38 D39 F43Y37-E41 CarbonylContact C-O 3.56Å; Y37-E41 WeakPolarHBondContact CA-O 3.38Å; Y38-E41 PolarHBondContact N-O 3.18Å; Y38-E41 PolarHBondContact O-N 3.35Å; D39-E41 VanDerWaalsContact C-N 3.28Å; D39-E41 PolarHBondContact O-N 2.89Å; E41-F43 PolarHBondContact O-N 3.42Å
42L97Very high92.8Very high63 Ų6340.8 Ų40.833%0.3322%0.218SC..EExtended strand (participates in β ladder)trans-63.8130.5173179.567.4000109.1H35 Y37 P56H35-L42 HydrophobicContact CB-CD1 4.09Å; Y37-L42 HydrophobicContact CD1-CB 3.88Å; Y37-L42 HydrophobicContact CD1-CD1 4.47Å; Y37-L42 VanDerWaalsContact CD1-N 3.31Å; Y37-L42 HydrophobicContact CD2-CD1 4.48Å; Y37-L42 HydrophobicContact CE1-CB 3.58Å; Y37-L42 HydrophobicContact CE1-CD1 4.05Å; Y37-L42 HydrophobicContact CE1-CG 4.36Å; Y37-L42 HydrophobicContact CE2-CD1 4.05Å; L42-P56 HydrophobicContact CD2-CG 4.36Å; L42-P56 HydrophobicContact CG-CG 4.22Å
43F96.2Very high92.9Very high3 Ų343.5 Ų43.51%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-128.6-17.1174.571.1-93.3000114.3L16 F36 E41 P56 A61 L64 A65 V68L16-F43 HydrophobicContact CD1-CE1 3.88Å; L16-F43 HydrophobicContact CD1-CZ 4Å; F36-F43 HydrophobicContact CB-CD1 4.39Å; F36-F43 HydrophobicContact CB-CE1 3.67Å; F36-F43 HydrophobicContact CB-CE2 3.97Å; F36-F43 HydrophobicContact CB-CZ 3.43Å; F36-F43 VanDerWaalsContact CB-CZ 3.43Å; F36-F43 HydrophobicContact CG-CZ 4.38Å; F36-F43 VanDerWaalsContact O-CD1 3.27Å; F36-F43 WeakPolarHBondContact O-CD1 3.48Å; F36-F43 PolarHBondContact O-N 2.9Å; E41-F43 PolarHBondContact O-N 3.42Å; F43-P56 WeakPolarHBondContact O-CD 3.47Å; F43-A61 HydrophobicContact CB-CB 3.97Å; F43-L64 HydrophobicContact CB-CB 4.14Å; F43-L64 HydrophobicContact CB-CD1 4.08Å; F43-L64 HydrophobicContact CD1-CD1 4.29Å; F43-L64 HydrophobicContact CD2-CB 3.47Å; F43-L64 VanDerWaalsContact CD2-CB 3.47Å; F43-L64 HydrophobicContact CE2-CB 3.94Å; F43-L64 HydrophobicContact CG-CB 3.79Å; F43-L64 HydrophobicContact CG-CD1 4.08Å; F43-A65 HydrophobicContact CD2-CB 4.5Å; F43-V68 HydrophobicContact CE2-CB 4.14Å; F43-V68 HydrophobicContact CE2-CG2 3.7Å; F43-V68 HydrophobicContact CZ-CG2 3.84Å
44L96.7Very high93.1Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-154.2136.6179.3-179.864.8000110F36 W53 V55 A65 V68 R69F36-L44 HydrophobicContact CB-CB 4.2Å; F36-L44 HydrophobicContact CD2-CB 4.12Å; F36-L44 HydrophobicContact CD2-CD2 3.91Å; F36-L44 HydrophobicContact CD2-CG 4Å; F36-L44 HydrophobicContact CE2-CD2 4.27Å; F36-L44 PolarHBondContact N-O 3.09Å; L44-W53 HydrophobicContact CD1-CD2 4.44Å; L44-W53 HydrophobicContact CD1-CE3 3.47Å; L44-W53 VanDerWaalsContact CD1-CE3 3.47Å; L44-W53 HydrophobicContact CD1-CZ3 4.02Å; L44-W53 HydrophobicContact CD2-CE3 3.9Å; L44-W53 HydrophobicContact CD2-CZ3 3.55Å; L44-W53 HydrophobicContact CG-CE3 3.7Å; L44-W53 HydrophobicContact CG-CZ3 3.72Å; L44-V55 HydrophobicContact CD1-CG2 3.79Å; L44-A65 HydrophobicContact CB-CB 4.27Å; L44-A65 HydrophobicContact CD1-CB 3.96Å; L44-V68 HydrophobicContact CD2-CB 4.25Å; L44-V68 HydrophobicContact CD2-CG1 3.92Å; L44-R69 HydrophobicContact CD1-CG 4.35Å; L44-R69 HydrophobicContact CD2-CG 3.9Å
45S96.8Very high93.3Very high19 Ų1947.5 Ų47.513%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-136.4157.5167.861.70000111.6Q34 H35 W53 T54Q34-S45 CarbonylContact O-C 3.59Å; Q34-S45 WeakPolarHBondContact O-CA 3.48Å; H35-S45 VanDerWaalsContact CD2-CB 3.48Å; H35-S45 WeakPolarHBondContact CD2-CB 3.18Å; S45-W53 CarbonylContact O-C 3.57Å; S45-W53 WeakPolarHBondContact O-CA 3.46Å; S45-T54 PolarHBondContact N-O 2.84Å; S45-T54 PolarHBondContact O-N 2.93Å
46Q94.6Very high93.3Very high5 Ų547.4 Ų47.42%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-133.8131.1176.3-165.2-173.413.600109.6S33 Q34 L48 E52 W53 Y83S33-Q46 CarbonylContact C-O 3.59Å; S33-Q46 WeakPolarHBondContact CA-O 3.39Å; S33-Q46 VanDerWaalsContact CB-O 3.25Å; S33-Q46 WeakPolarHBondContact CB-O 3.43Å; Q34-Q46 PolarHBondContact N-O 3Å; Q34-Q46 PolarHBondContact O-N 3.24Å; Q46-L48 HydrophobicContact CG-CD2 4.4Å; Q46-E52 WeakPolarHBondContact CA-O 3.42Å; Q46-W53 HydrophobicContact CB-CD2 4.03Å; Q46-W53 HydrophobicContact CB-CE3 3.71Å; Q46-W53 HydrophobicContact CB-CH2 4.11Å; Q46-W53 HydrophobicContact CB-CZ2 4.38Å; Q46-W53 HydrophobicContact CB-CZ3 3.76Å; Q46-W53 VanDerWaalsContact CD-CE2 3.48Å; Q46-W53 HydrophobicContact CG-CD2 3.84Å; Q46-W53 HydrophobicContact CG-CE3 4.05Å; Q46-W53 HydrophobicContact CG-CG 4.31Å; Q46-W53 HydrophobicContact CG-CH2 4.27Å; Q46-W53 HydrophobicContact CG-CZ2 4.03Å; Q46-W53 HydrophobicContact CG-CZ3 4.28Å; Q46-Y83 VanDerWaalsContact OE1-CD1 3.32Å; Q46-Y83 VanDerWaalsContact OE1-CE1 3.28Å
47N92.1Very high93.2Very high57 Ų5756 Ų5631%0.30530%0.295SS..EExtended strand (participates in β ladder)trans-80120.2162-177.4-35.4000107.8E49 T50 E51 E52N47-E49 VanDerWaalsContact C-N 3.3Å; N47-E49 WeakPolarHBondContact OD1-CA 3.46Å; N47-E49 WeakPolarHBondContact OD1-CB 3.39Å; N47-E49 PolarHBondContact OD1-N 3.05Å; N47-T50 WeakPolarHBondContact CB-OG1 3.36Å; N47-T50 VanDerWaalsContact CG-OG1 3.28Å; N47-T50 PolarHBondContact OD1-N 3.11Å; N47-T50 VanDerWaalsContact OD1-N 3.08Å; N47-E51 CarbonylContact O-C 3.51Å; N47-E51 WeakPolarHBondContact O-CA 3.07Å; N47-E51 PolarHBondContact O-N 3.3Å; N47-E52 PolarHBondContact N-O 3.03Å; N47-E52 PolarHBondContact O-N 3.27Å
48L88.3Confident93.2Very high6 Ų655.6 Ų55.63%0.03130%0.301CS..THydrogen-bonded Turntrans-82.7-10.5-175-59.9171.9000113S32 Q34 Q46 Y83 M86 H87S32-L48 PolarHBondContact O-N 3.27Å; S32-L48 WeakPolarHBondContact OG-CB 3.01Å; Q34-L48 HydrophobicContact CB-CD2 4.41Å; Q46-L48 HydrophobicContact CG-CD2 4.4Å; L48-Y83 HydrophobicContact CD2-CD1 3.9Å; L48-Y83 HydrophobicContact CD2-CG 4.44Å; L48-M86 HydrophobicContact CD1-CE 3.46Å; L48-M86 VanDerWaalsContact CD1-CE 3.46Å; L48-M86 HydrophobicContact CD2-CE 3.46Å; L48-M86 VanDerWaalsContact CD2-CE 3.46Å; L48-M86 HydrophobicContact CG-CE 4.11Å; L48-H87 HydrophobicContact CB-CB 4.37Å
49E83.2Confident93.1Very high72 Ų7260 Ų6034%0.33633%0.332SS..THydrogen-bonded Turntrans-87.6-48.5175.4-63179.4167.900111.3T30 R31 N47 H87T30-E49 PolarHBondContact OG1-OE1 3.07Å; R31-E49 WeakPolarHBondContact CA-OE1 3.49Å; R31-E49 PolarHBondContact N-OE1 2.59Å; N47-E49 VanDerWaalsContact C-N 3.3Å; N47-E49 WeakPolarHBondContact OD1-CA 3.46Å; N47-E49 WeakPolarHBondContact OD1-CB 3.39Å; N47-E49 PolarHBondContact OD1-N 3.05Å; E49-H87 WeakPolarHBondContact CG-NE2 3.5Å; E49-H87 IonicContact OE1-NE2 3.57Å
50T87.5Confident93Very high72 Ų7261.3 Ų61.344%0.44233%0.332SS..THydrogen-bonded Turntrans-87.3-12.3178.367.30000112.9N47 E52N47-T50 WeakPolarHBondContact CB-OG1 3.36Å; N47-T50 VanDerWaalsContact CG-OG1 3.28Å; N47-T50 PolarHBondContact OD1-N 3.11Å; N47-T50 VanDerWaalsContact OD1-N 3.08Å; T50-E52 PolarHBondContact O-N 2.84Å; T50-E52 WeakPolarHBondContact OG1-CB 2.95Å; T50-E52 WeakPolarHBondContact OG1-CG 3.21Å; T50-E52 PolarHBondContact OG1-N 2.65Å; T50-E52 PolarHBondContact OG1-OE2 3.48Å
51E85.2Confident93.1Very high57 Ų5759.2 Ų59.227%0.26631%0.31SS..  trans62.311.9-173.4-60.1161.2-145.100114.1N47 K80 H84N47-E51 CarbonylContact O-C 3.51Å; N47-E51 WeakPolarHBondContact O-CA 3.07Å; N47-E51 PolarHBondContact O-N 3.3Å; E51-K80 VanDerWaalsContact CD-CE 3.47Å; E51-K80 WeakPolarHBondContact OE1-CE 3Å; E51-K80 IonicContact OE1-NZ 2.77Å; E51-K80 PolarHBondContact OE1-NZ 3.42Å; E51-K80 VanDerWaalsContact OE2-CD 3.25Å; E51-K80 WeakPolarHBondContact OE2-CD 3.3Å; E51-K80 VanDerWaalsContact OE2-CE 3.24Å; E51-K80 WeakPolarHBondContact OE2-CE 3.35Å; E51-K80 IonicContact OE2-NZ 3.28Å; E51-K80 PolarHBondContact OE2-NZ 3.16Å; E51-H84 IonicContact OE1-CE1 2.9Å; E51-H84 PolarHBondContact OE1-CE1 3.35Å; E51-H84 VanDerWaalsContact OE1-CE1 3.3Å; E51-H84 IonicContact OE1-NE2 3.68Å; E51-H84 PolarHBondContact OE1-NE2 2.89Å
52E91.7Very high93Very high127 Ų12757.8 Ų57.859%0.59330%0.304SS*.  trans-77.7132.8-178-68174.8153.400111.2Q46 N47 T50Q46-E52 WeakPolarHBondContact CA-O 3.42Å; N47-E52 PolarHBondContact N-O 3.03Å; N47-E52 PolarHBondContact O-N 3.27Å; T50-E52 PolarHBondContact O-N 2.84Å; T50-E52 WeakPolarHBondContact OG1-CB 2.95Å; T50-E52 WeakPolarHBondContact OG1-CG 3.21Å; T50-E52 PolarHBondContact OG1-N 2.65Å; T50-E52 PolarHBondContact OG1-OE2 3.48Å
53W94.4Very high92.8Very high61 Ų6158.6 Ų58.623%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-95.1132.2174.9-67.384.2000110.2F36 L44 S45 Q46 R69 L72F36-W53 HydrophobicContact CE2-CH2 4.48Å; F36-W53 HydrophobicContact CE2-CZ3 4.1Å; L44-W53 HydrophobicContact CD1-CD2 4.44Å; L44-W53 HydrophobicContact CD1-CE3 3.47Å; L44-W53 VanDerWaalsContact CD1-CE3 3.47Å; L44-W53 HydrophobicContact CD1-CZ3 4.02Å; L44-W53 HydrophobicContact CD2-CE3 3.9Å; L44-W53 HydrophobicContact CD2-CZ3 3.55Å; L44-W53 HydrophobicContact CG-CE3 3.7Å; L44-W53 HydrophobicContact CG-CZ3 3.72Å; S45-W53 CarbonylContact O-C 3.57Å; S45-W53 WeakPolarHBondContact O-CA 3.46Å; Q46-W53 HydrophobicContact CB-CD2 4.03Å; Q46-W53 HydrophobicContact CB-CE3 3.71Å; Q46-W53 HydrophobicContact CB-CH2 4.11Å; Q46-W53 HydrophobicContact CB-CZ2 4.38Å; Q46-W53 HydrophobicContact CB-CZ3 3.76Å; Q46-W53 VanDerWaalsContact CD-CE2 3.48Å; Q46-W53 HydrophobicContact CG-CD2 3.84Å; Q46-W53 HydrophobicContact CG-CE3 4.05Å; Q46-W53 HydrophobicContact CG-CG 4.31Å; Q46-W53 HydrophobicContact CG-CH2 4.27Å; Q46-W53 HydrophobicContact CG-CZ2 4.03Å; Q46-W53 HydrophobicContact CG-CZ3 4.28Å; W53-R69 HydrophobicContact CE3-CG 4.41Å; W53-L72 HydrophobicContact CH2-CD1 3.87Å
54T97.1Very high92.6Very high84 Ų8459.1 Ų59.152%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-116.8135.5175-58.40000109.9S45S45-T54 PolarHBondContact N-O 2.84Å; S45-T54 PolarHBondContact O-N 2.93Å
55V97.3Very high92.5Very high37 Ų3759.2 Ų59.222%0.22432%0.315CS..  trans-127.4128.1-179.6-176.40000108.3L44 A61 Q62 A65L44-V55 HydrophobicContact CD1-CG2 3.79Å; V55-A61 HydrophobicContact CG1-CB 4.49Å; V55-Q62 HydrophobicContact CG1-CG 4.06Å; V55-A65 HydrophobicContact CG1-CB 3.82Å; V55-A65 HydrophobicContact CG2-CB 3.81Å
56P96.6Very high92.2Very high42 Ų4264 Ų6427%0.27334%0.337SS..  trans-57.4148.4173.3-26.737.3000112.4L42 F43 S58 A61L42-P56 HydrophobicContact CD2-CG 4.36Å; L42-P56 HydrophobicContact CG-CG 4.22Å; F43-P56 WeakPolarHBondContact O-CD 3.47Å; P56-S58 PolarHBondContact O-N 2.91Å; P56-A61 HydrophobicContact CB-CB 4.2Å
57Q94.4Very high92Very high181 Ų18166.7 Ų66.785%0.84635%0.351SS*.SBendtrans-7569.5179.5-64.1-61.5-41.200111.3
58S94.9Very high91.9Very high51 Ų5164.2 Ų64.236%0.35734%0.338SS..  trans-142.6134179162.30000109.7P56 R60 A61 Q62P56-S58 PolarHBondContact O-N 2.91Å; S58-R60 VanDerWaalsContact C-N 3.27Å; S58-R60 PolarHBondContact O-N 2.89Å; S58-R60 PolarHBondContact OG-N 3.34Å; S58-A61 PolarHBondContact O-N 2.84Å; S58-A61 VanDerWaalsContact O-N 3.14Å; S58-A61 PolarHBondContact OG-N 3.17Å; S58-Q62 VanDerWaalsContact O-CG 3.31Å; S58-Q62 WeakPolarHBondContact O-CG 2.93Å; S58-Q62 PolarHBondContact O-N 2.93Å
59S91.5Very high92Very high95 Ų9569 Ų6966%0.66436%0.356SS*.Hα-helixtrans-60.8-37178.255.40000112.2T63S59-T63 PolarHBondContact O-N 2.82Å; S59-T63 VanDerWaalsContact O-N 3.15Å; S59-T63 PolarHBondContact O-OG1 3.03Å
60R90.3Very high92.2Very high85 Ų8569.5 Ų69.532%0.32136%0.361SS..Hα-helixtrans-63.8-49173-172.8179.9-169-171.42.2110.5D8 D39 S58 Q62 T63 L64D8-R60 IonicContact OD2-NH2 2.68Å; D8-R60 PolarHBondContact OD2-NH2 3.11Å; D39-R60 IonicContact OD2-NH2 3.23Å; S58-R60 VanDerWaalsContact C-N 3.27Å; S58-R60 PolarHBondContact O-N 2.89Å; S58-R60 PolarHBondContact OG-N 3.34Å; R60-Q62 PolarHBondContact O-N 2.9Å; R60-T63 PolarHBondContact O-N 3.08Å; R60-L64 HydrophobicContact CG-CD1 4.1Å; R60-L64 WeakPolarHBondContact O-CG 3.4Å; R60-L64 PolarHBondContact O-N 3.27Å
61A93.5Very high92.3Very high6 Ų667.6 Ų67.65%0.0535%0.346CS..Hα-helixtrans-61.9-42.3-179.800000112.1F43 V55 P56 S58 T63 L64 A65F43-A61 HydrophobicContact CB-CB 3.97Å; V55-A61 HydrophobicContact CG1-CB 4.49Å; P56-A61 HydrophobicContact CB-CB 4.2Å; S58-A61 PolarHBondContact O-N 2.84Å; S58-A61 VanDerWaalsContact O-N 3.14Å; S58-A61 PolarHBondContact OG-N 3.17Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 2.03Å; A61-L64 PolarHBondContact O-N 2.88Å; A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.15Å
62Q94.2Very high92.4Very high90 Ų9065.6 Ų65.642%0.42134%0.338SS..Hα-helixtrans-60.2-42.8176.5-72.7171.9500112.3V55 S58 R60 A65 M66V55-Q62 HydrophobicContact CG1-CG 4.06Å; S58-Q62 VanDerWaalsContact O-CG 3.31Å; S58-Q62 WeakPolarHBondContact O-CG 2.93Å; S58-Q62 PolarHBondContact O-N 2.93Å; R60-Q62 PolarHBondContact O-N 2.9Å; Q62-A65 PolarHBondContact O-N 2.96Å; Q62-M66 WeakPolarHBondContact O-CB 3.37Å; Q62-M66 WeakPolarHBondContact O-CG 3.22Å; Q62-M66 PolarHBondContact O-N 3.35Å
63T92Very high92.1Very high80 Ų8066.9 Ų66.949%0.49134%0.341SS..Hα-helixtrans-64.6-47.8177.9-57.90000111.3S59 R60 A61 A65 M66 N67S59-T63 PolarHBondContact O-N 2.82Å; S59-T63 VanDerWaalsContact O-N 3.15Å; S59-T63 PolarHBondContact O-OG1 3.03Å; R60-T63 PolarHBondContact O-N 3.08Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 2.03Å; T63-A65 PolarHBondContact O-N 2.87Å; T63-M66 PolarHBondContact O-N 2.92Å; T63-N67 PolarHBondContact O-N 2.79Å; T63-N67 VanDerWaalsContact O-N 3.11Å
64L92.6Very high91.7Very high15 Ų1570.3 Ų70.38%0.07936%0.36CS..Hα-helixtrans-61.5-44.1176.6-68.4174000111.6I6 Y38 F43 R60 A61 N67 V68I6-L64 HydrophobicContact CG2-CD2 3.35Å; Y38-L64 HydrophobicContact CD1-CD1 4.12Å; Y38-L64 HydrophobicContact CG-CD1 4.18Å; F43-L64 HydrophobicContact CB-CB 4.14Å; F43-L64 HydrophobicContact CB-CD1 4.08Å; F43-L64 HydrophobicContact CD1-CD1 4.29Å; F43-L64 HydrophobicContact CD2-CB 3.47Å; F43-L64 VanDerWaalsContact CD2-CB 3.47Å; F43-L64 HydrophobicContact CE2-CB 3.94Å; F43-L64 HydrophobicContact CG-CB 3.79Å; F43-L64 HydrophobicContact CG-CD1 4.08Å; R60-L64 HydrophobicContact CG-CD1 4.1Å; R60-L64 WeakPolarHBondContact O-CG 3.4Å; R60-L64 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 2.88Å; L64-N67 PolarHBondContact O-N 2.93Å; L64-V68 WeakPolarHBondContact O-CG2 3.34Å; L64-V68 PolarHBondContact O-N 3.35Å
65A93.7Very high91Very high2 Ų271 Ų712%0.01736%0.36CS..Hα-helixtrans-60.5-45.4177.800000112F43 L44 V55 A61 Q62 T63 V68 R69F43-A65 HydrophobicContact CD2-CB 4.5Å; L44-A65 HydrophobicContact CB-CB 4.27Å; L44-A65 HydrophobicContact CD1-CB 3.96Å; V55-A65 HydrophobicContact CG1-CB 3.82Å; V55-A65 HydrophobicContact CG2-CB 3.81Å; A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.15Å; Q62-A65 PolarHBondContact O-N 2.96Å; T63-A65 PolarHBondContact O-N 2.87Å; A65-V68 PolarHBondContact O-N 2.9Å; A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.49Å; A65-R69 PolarHBondContact O-N 3.3Å
66M90.9Very high90.2Very high120 Ų12071 Ų7159%0.59136%0.364SS*.Hα-helixtrans-61-47.2176.5-80.4166.45400111.7Q62 T63 V68 R69 N70Q62-M66 WeakPolarHBondContact O-CB 3.37Å; Q62-M66 WeakPolarHBondContact O-CG 3.22Å; Q62-M66 PolarHBondContact O-N 3.35Å; T63-M66 PolarHBondContact O-N 2.92Å; M66-V68 PolarHBondContact O-N 2.79Å; M66-R69 PolarHBondContact O-N 3.14Å; M66-N70 WeakPolarHBondContact O-CB 3.34Å; M66-N70 VanDerWaalsContact O-CG 3.25Å; M66-N70 PolarHBondContact O-N 2.81Å; M66-N70 PolarHBondContact O-ND2 2.83Å
67N89.9Confident89.7Confident60 Ų6075.9 Ų75.932%0.32139%0.385SS..Hα-helixtrans-58.4-48.4178.6-70.2-10.6000111.4T63 L64 F71T63-N67 PolarHBondContact O-N 2.79Å; T63-N67 VanDerWaalsContact O-N 3.11Å; L64-N67 PolarHBondContact O-N 2.93Å; N67-F71 WeakPolarHBondContact O-CB 3.32Å; N67-F71 PolarHBondContact O-N 2.97Å
68V90.4Very high89.1Confident5 Ų570.8 Ų70.83%0.0336%0.36CS..Hα-helixtrans-67.5-42.8-179.4171.40000111.5M1 I6 F43 L44 L64 A65 M66 N70 F71 L72M1-V68 HydrophobicContact SD-CG1 4.02Å; M1-V68 HydrophobicContact SD-CG2 4.39Å; I6-V68 HydrophobicContact CD1-CG2 4.38Å; I6-V68 HydrophobicContact CG1-CG2 4.48Å; F43-V68 HydrophobicContact CE2-CB 4.14Å; F43-V68 HydrophobicContact CE2-CG2 3.7Å; F43-V68 HydrophobicContact CZ-CG2 3.84Å; L44-V68 HydrophobicContact CD2-CB 4.25Å; L44-V68 HydrophobicContact CD2-CG1 3.92Å; L64-V68 WeakPolarHBondContact O-CG2 3.34Å; L64-V68 PolarHBondContact O-N 3.35Å; A65-V68 PolarHBondContact O-N 2.9Å; M66-V68 PolarHBondContact O-N 2.79Å; V68-N70 PolarHBondContact O-N 3.4Å; V68-F71 PolarHBondContact O-N 3.46Å; V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.17Å; V68-L72 WeakPolarHBondContact O-CB 3.48Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.11Å
69R90.3Very high88.7Confident107 Ų10772.1 Ų72.140%0.40437%0.366SS..Hα-helixtrans-63.1-41.2178.3-74.2-179.777.1178.34.6112.2L44 W53 A65 M66 L72 K73L44-R69 HydrophobicContact CD1-CG 4.35Å; L44-R69 HydrophobicContact CD2-CG 3.9Å; W53-R69 HydrophobicContact CE3-CG 4.41Å; A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 VanDerWaalsContact O-CG 3.24Å; A65-R69 WeakPolarHBondContact O-CG 3.49Å; A65-R69 PolarHBondContact O-N 3.3Å; M66-R69 PolarHBondContact O-N 3.14Å; R69-L72 PolarHBondContact O-N 3.24Å; R69-K73 WeakPolarHBondContact O-CB 3.32Å; R69-K73 PolarHBondContact O-N 3.39Å; R69-K73 VanDerWaalsContact O-N 3.07Å
70N88.8Confident88.3Confident82 Ų8273.3 Ų73.344%0.43936%0.359SS..Hα-helixtrans-64.2-47.6176.5-70.7-11000110.7M66 V68 L72 K73 E74M66-N70 WeakPolarHBondContact O-CB 3.34Å; M66-N70 VanDerWaalsContact O-CG 3.25Å; M66-N70 PolarHBondContact O-N 2.81Å; M66-N70 PolarHBondContact O-ND2 2.83Å; V68-N70 PolarHBondContact O-N 3.4Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 2.99Å; N70-K73 PolarHBondContact O-N 3.12Å; N70-K73 VanDerWaalsContact O-N 3.1Å; N70-E74 WeakPolarHBondContact O-CB 3.47Å; N70-E74 PolarHBondContact O-N 3.04Å
71F87.8Confident88.1Confident33 Ų3374.3 Ų74.315%0.14538%0.375CS..Hα-helixtrans-57.1-45175.3174.1-93.5000112.4H5 N67 V68 K73 D75 A76H5-F71 HydrophobicContact CB-CD2 4.22Å; H5-F71 AromaticContact CD2-CD2 3.71Å; H5-F71 AromaticContact CD2-CE2 3.81Å; H5-F71 AromaticContact CE1-CE2 3.67Å; H5-F71 AromaticContact CG-CD2 3.75Å; H5-F71 AromaticContact CG-CE2 3.81Å; H5-F71 AromaticContact ND1-CE2 3.72Å; H5-F71 AromaticContact NE2-CE2 3.74Å; N67-F71 WeakPolarHBondContact O-CB 3.32Å; N67-F71 PolarHBondContact O-N 2.97Å; V68-F71 PolarHBondContact O-N 3.46Å; F71-K73 VanDerWaalsContact C-N 3.25Å; F71-K73 PolarHBondContact O-N 2.66Å; F71-D75 WeakPolarHBondContact CA-OD2 3.31Å; F71-D75 HydrophobicContact CD2-CB 3.51Å; F71-D75 HydrophobicContact CE2-CB 3.54Å; F71-D75 HydrophobicContact CG-CB 4.28Å; F71-D75 HydrophobicContact CZ-CB 4.32Å; F71-D75 PolarHBondContact O-N 2.9Å; F71-D75 VanDerWaalsContact O-N 3.1Å; F71-A76 HydrophobicContact CD1-CB 4.39Å; F71-A76 HydrophobicContact CE1-CB 3.96Å; F71-A76 HydrophobicContact CZ-CB 4.41Å; F71-A76 PolarHBondContact O-N 2.77Å
72L87.3Confident87.9Confident15 Ų1577.2 Ų77.28%0.07939%0.387CS..Hα-helixtrans-61.4-37.5178.9-71.7171.9000111.5F36 W53 V68 R69 N70 M77 K78F36-L72 HydrophobicContact CZ-CD1 4.14Å; W53-L72 HydrophobicContact CH2-CD1 3.87Å; V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.17Å; V68-L72 WeakPolarHBondContact O-CB 3.48Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.11Å; R69-L72 PolarHBondContact O-N 3.24Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 2.99Å; L72-M77 PolarHBondContact O-N 2.88Å; L72-K78 HydrophobicContact CB-CB 4.5Å; L72-K78 HydrophobicContact CB-CG 4.4Å; L72-K78 HydrophobicContact CD2-CG 4.07Å; L72-K78 VanDerWaalsContact O-CB 3.24Å; L72-K78 WeakPolarHBondContact O-CB 3.23Å; L72-K78 WeakPolarHBondContact O-CG 3.44Å; L72-K78 PolarHBondContact O-N 2.83Å
73K86.3Confident87.5Confident153 Ų15374 Ų7467%0.66537%0.371SS*.Hα-helixtrans-78.5-46.1-178.1-173.5-176.6177.7-169.60112.8R69 N70 F71R69-K73 WeakPolarHBondContact O-CB 3.32Å; R69-K73 PolarHBondContact O-N 3.39Å; R69-K73 VanDerWaalsContact O-N 3.07Å; N70-K73 PolarHBondContact O-N 3.12Å; N70-K73 VanDerWaalsContact O-N 3.1Å; F71-K73 VanDerWaalsContact C-N 3.25Å; F71-K73 PolarHBondContact O-N 2.66Å
74E86.4Confident87.2Confident134 Ų13474 Ų7463%0.62637%0.366SS*.Hα-helixtrans-95.1-55.2-167.4-63.4-178.1177.700111.6N70 M77N70-E74 WeakPolarHBondContact O-CB 3.47Å; N70-E74 PolarHBondContact O-N 3.04Å; E74-M77 WeakPolarHBondContact O-CG 3.36Å
75D82.1Confident87Confident99 Ų9975.4 Ų75.453%0.52938%0.38SS..THydrogen-bonded Turntrans-80.2-46.6-176.6-58.5-95.3000112.4F71 M77F71-D75 WeakPolarHBondContact CA-OD2 3.31Å; F71-D75 HydrophobicContact CD2-CB 3.51Å; F71-D75 HydrophobicContact CE2-CB 3.54Å; F71-D75 HydrophobicContact CG-CB 4.28Å; F71-D75 HydrophobicContact CZ-CB 4.32Å; F71-D75 PolarHBondContact O-N 2.9Å; F71-D75 VanDerWaalsContact O-N 3.1Å; D75-M77 VanDerWaalsContact C-N 3.34Å
76A80.7Confident86.6Confident35 Ų3576 Ų7629%0.28938%0.382SS..SBendtrans-86.9-7-177.400000113.2F71 K78F71-A76 HydrophobicContact CD1-CB 4.39Å; F71-A76 HydrophobicContact CE1-CB 3.96Å; F71-A76 HydrophobicContact CZ-CB 4.41Å; F71-A76 PolarHBondContact O-N 2.77Å; A76-K78 HydrophobicContact CB-CG 3.84Å; A76-K78 PolarHBondContact O-N 2.96Å; A76-K78 VanDerWaalsContact O-N 3.12Å
77M84.9Confident86.4Confident146 Ų14671.7 Ų71.772%0.71936%0.36SS*.  trans46.841.6178.2-64.5-174-79.700113.5L72 E74 D75 T79L72-M77 PolarHBondContact O-N 2.88Å; E74-M77 WeakPolarHBondContact O-CG 3.36Å; D75-M77 VanDerWaalsContact C-N 3.34Å; M77-T79 PolarHBondContact O-N 3.32Å
78K83.2Confident86.4Confident73 Ų7371.1 Ų71.132%0.31736%0.364SS..  trans-76110.6-177.5-62.3-78.2173.7-178.80109.7L72 A76 H82 Y83L72-K78 HydrophobicContact CB-CB 4.5Å; L72-K78 HydrophobicContact CB-CG 4.4Å; L72-K78 HydrophobicContact CD2-CG 4.07Å; L72-K78 VanDerWaalsContact O-CB 3.24Å; L72-K78 WeakPolarHBondContact O-CB 3.23Å; L72-K78 WeakPolarHBondContact O-CG 3.44Å; L72-K78 PolarHBondContact O-N 2.83Å; A76-K78 HydrophobicContact CB-CG 3.84Å; A76-K78 PolarHBondContact O-N 2.96Å; A76-K78 VanDerWaalsContact O-N 3.12Å; K78-H82 HydrophobicContact CD-CB 4.48Å; K78-H82 WeakPolarHBondContact CD-CD2 3.27Å; K78-H82 WeakPolarHBondContact CD-NE2 3.43Å; K78-H82 PolarHBondContact NZ-CE1 3.16Å; K78-H82 PolarHBondContact NZ-NE2 3.37Å; K78-Y83 HydrophobicContact CB-CE2 4.05Å
79T86Confident86.4Confident80 Ų8075.3 Ų75.349%0.49139%0.386SS..  trans-90.9167.9178.9650000111.8M77 T81 H82 Y83M77-T79 PolarHBondContact O-N 3.32Å; T79-T81 PolarHBondContact O-N 2.94Å; T79-H82 VanDerWaalsContact O-CB 3.26Å; T79-H82 WeakPolarHBondContact O-CB 3.18Å; T79-H82 PolarHBondContact O-N 2.86Å; T79-H82 PolarHBondContact OG1-N 2.86Å; T79-Y83 VanDerWaalsContact O-CD2 3.22Å; T79-Y83 WeakPolarHBondContact O-CD2 3.39Å; T79-Y83 PolarHBondContact O-N 2.81Å
80K83.5Confident86.5Confident119 Ų11972.1 Ų72.152%0.51738%0.38SS..Hα-helixtrans-53-41.6170.4179171.2171.1130.60112.2E51 H82 Y83 H84E51-K80 VanDerWaalsContact CD-CE 3.47Å; E51-K80 WeakPolarHBondContact OE1-CE 3Å; E51-K80 IonicContact OE1-NZ 2.77Å; E51-K80 PolarHBondContact OE1-NZ 3.42Å; E51-K80 VanDerWaalsContact OE2-CD 3.25Å; E51-K80 WeakPolarHBondContact OE2-CD 3.3Å; E51-K80 VanDerWaalsContact OE2-CE 3.24Å; E51-K80 WeakPolarHBondContact OE2-CE 3.35Å; E51-K80 IonicContact OE2-NZ 3.28Å; E51-K80 PolarHBondContact OE2-NZ 3.16Å; K80-H82 VanDerWaalsContact C-N 3.26Å; K80-H82 PolarHBondContact O-N 2.83Å; K80-Y83 PolarHBondContact O-N 2.81Å; K80-Y83 VanDerWaalsContact O-N 3.15Å; K80-H84 WeakPolarHBondContact CE-NE2 3.35Å; K80-H84 PolarHBondContact O-CD2 3.3Å; K80-H84 VanDerWaalsContact O-CD2 3.25Å; K80-H84 PolarHBondContact O-N 3.4Å; K80-H84 VanDerWaalsContact O-N 3.11Å
81T86.1Confident86.6Confident106 Ų10668.9 Ų68.965%0.6536%0.362SS*.Hα-helixtrans-59-36.1175.9-48.40000112.5T79 H84 A85T79-T81 PolarHBondContact O-N 2.94Å; T81-H84 PolarHBondContact O-N 2.79Å; T81-A85 WeakPolarHBondContact O-CB 3.46Å; T81-A85 PolarHBondContact O-N 2.88Å
82H88Confident86.9Confident68 Ų6873.3 Ų73.332%0.31538%0.384SS..Hα-helixtrans-61.8-44.5176.6-179.871.9000112K78 T79 K80 A85 M86K78-H82 HydrophobicContact CD-CB 4.48Å; K78-H82 WeakPolarHBondContact CD-CD2 3.27Å; K78-H82 WeakPolarHBondContact CD-NE2 3.43Å; K78-H82 PolarHBondContact NZ-CE1 3.16Å; K78-H82 PolarHBondContact NZ-NE2 3.37Å; T79-H82 VanDerWaalsContact O-CB 3.26Å; T79-H82 WeakPolarHBondContact O-CB 3.18Å; T79-H82 PolarHBondContact O-N 2.86Å; T79-H82 PolarHBondContact OG1-N 2.86Å; K80-H82 VanDerWaalsContact C-N 3.26Å; K80-H82 PolarHBondContact O-N 2.83Å; H82-A85 PolarHBondContact O-N 2.9Å; H82-M86 WeakPolarHBondContact O-CB 3.4Å; H82-M86 PolarHBondContact O-N 2.87Å
83Y86.1Confident87Confident21 Ų2176.3 Ų76.38%0.08240%0.397CS..Hα-helixtrans-69.7-37179.9-63.2-70.6000112.3Q46 L48 K78 T79 K80 M86 H87Q46-Y83 VanDerWaalsContact OE1-CD1 3.32Å; Q46-Y83 VanDerWaalsContact OE1-CE1 3.28Å; L48-Y83 HydrophobicContact CD2-CD1 3.9Å; L48-Y83 HydrophobicContact CD2-CG 4.44Å; K78-Y83 HydrophobicContact CB-CE2 4.05Å; T79-Y83 VanDerWaalsContact O-CD2 3.22Å; T79-Y83 WeakPolarHBondContact O-CD2 3.39Å; T79-Y83 PolarHBondContact O-N 2.81Å; K80-Y83 PolarHBondContact O-N 2.81Å; K80-Y83 VanDerWaalsContact O-N 3.15Å; Y83-M86 HydrophobicContact CD1-CE 3.91Å; Y83-M86 PolarHBondContact O-N 2.88Å; Y83-H87 WeakPolarHBondContact O-CB 3.34Å; Y83-H87 PolarHBondContact O-N 2.75Å
84H85.3Confident87.3Confident82 Ų8271.2 Ų71.238%0.3838%0.377SS..Hα-helixtrans-63.7-41.6171.7-72.7-62.6000112.9E51 K80 T81 H87 A88E51-H84 IonicContact OE1-CE1 2.9Å; E51-H84 PolarHBondContact OE1-CE1 3.35Å; E51-H84 VanDerWaalsContact OE1-CE1 3.3Å; E51-H84 IonicContact OE1-NE2 3.68Å; E51-H84 PolarHBondContact OE1-NE2 2.89Å; K80-H84 WeakPolarHBondContact CE-NE2 3.35Å; K80-H84 PolarHBondContact O-CD2 3.3Å; K80-H84 VanDerWaalsContact O-CD2 3.25Å; K80-H84 PolarHBondContact O-N 3.4Å; K80-H84 VanDerWaalsContact O-N 3.11Å; T81-H84 PolarHBondContact O-N 2.79Å; H84-H87 WeakPolarHBondContact O-CB 3.13Å; H84-H87 PolarHBondContact O-N 3.03Å; H84-A88 WeakPolarHBondContact O-CB 2.78Å; H84-A88 PolarHBondContact O-N 2.92Å
85A88.4Confident87.5Confident44 Ų4471.2 Ų71.236%0.36437%0.371SS..Hα-helixtrans-62.4-45.6175.200000110.5T81 H82 H87 A88 D89T81-A85 WeakPolarHBondContact O-CB 3.46Å; T81-A85 PolarHBondContact O-N 2.88Å; H82-A85 PolarHBondContact O-N 2.9Å; A85-H87 VanDerWaalsContact C-N 3.33Å; A85-H87 PolarHBondContact O-N 3.41Å; A85-A88 PolarHBondContact O-N 2.9Å; A85-A88 VanDerWaalsContact O-N 3.13Å; A85-D89 WeakPolarHBondContact O-CB 2.8Å; A85-D89 PolarHBondContact O-N 3.07Å
86M86.1Confident87.8Confident13 Ų1371.6 Ų71.66%0.06437%0.365CS..Hα-helixtrans-60-40.6177.1-173.9173.777.900113.1R20 Q34 L48 H82 Y83 C90R20-M86 WeakPolarHBondContact CD-SD 3.45Å; R20-M86 HydrophobicContact CG-SD 4.25Å; Q34-M86 HydrophobicContact CB-CE 4.3Å; L48-M86 HydrophobicContact CD1-CE 3.46Å; L48-M86 VanDerWaalsContact CD1-CE 3.46Å; L48-M86 HydrophobicContact CD2-CE 3.46Å; L48-M86 VanDerWaalsContact CD2-CE 3.46Å; L48-M86 HydrophobicContact CG-CE 4.11Å; H82-M86 WeakPolarHBondContact O-CB 3.4Å; H82-M86 PolarHBondContact O-N 2.87Å; Y83-M86 HydrophobicContact CD1-CE 3.91Å; Y83-M86 PolarHBondContact O-N 2.88Å; M86-C90 PolarHBondContact O-N 2.85Å
87H86.6Confident88.1Confident30 Ų3074.7 Ų74.714%0.13937%0.37CS..Hα-helixtrans-59.1-51.3172174.5-68.7000111.2S32 L48 E49 Y83 H84 A85 C90 L91S32-H87 PolarHBondContact OG-CD2 3.49Å; S32-H87 PolarHBondContact OG-NE2 2.9Å; L48-H87 HydrophobicContact CB-CB 4.37Å; E49-H87 WeakPolarHBondContact CG-NE2 3.5Å; E49-H87 IonicContact OE1-NE2 3.57Å; Y83-H87 WeakPolarHBondContact O-CB 3.34Å; Y83-H87 PolarHBondContact O-N 2.75Å; H84-H87 WeakPolarHBondContact O-CB 3.13Å; H84-H87 PolarHBondContact O-N 3.03Å; A85-H87 VanDerWaalsContact C-N 3.33Å; A85-H87 PolarHBondContact O-N 3.41Å; H87-C90 PolarHBondContact O-N 3.2Å; H87-L91 WeakPolarHBondContact CE1-CD1 3.41Å; H87-L91 PolarHBondContact O-N 3.37Å
88A89.6Confident88.1Confident48 Ų4870.9 Ų70.940%0.39735%0.353SS..Hα-helixtrans-62.8-45.7-17900000112.3H84 A85 C90 L91 Q92H84-A88 WeakPolarHBondContact O-CB 2.78Å; H84-A88 PolarHBondContact O-N 2.92Å; A85-A88 PolarHBondContact O-N 2.9Å; A85-A88 VanDerWaalsContact O-N 3.13Å; A88-C90 VanDerWaalsContact C-N 3.34Å; A88-C90 PolarHBondContact O-N 2.9Å; A88-L91 PolarHBondContact O-N 3.3Å; A88-Q92 WeakPolarHBondContact O-CB 3.47Å; A88-Q92 PolarHBondContact O-N 2.88Å
89D90.9Very high88.2Confident94 Ų9475.1 Ų75.150%0.50337%0.373SS..Hα-helixtrans-59.6-44179.6-68.2-15.8000111.2A85 Q92 E93A85-D89 WeakPolarHBondContact O-CB 2.8Å; A85-D89 PolarHBondContact O-N 3.07Å; D89-Q92 PolarHBondContact O-N 2.67Å; D89-E93 PolarHBondContact O-N 3.46Å
90C91.8Very high88.2Confident40 Ų4074.1 Ų74.127%0.2737%0.37SS..Hα-helixtrans-61.7-48.8178.2-170.20000111.4C22 M86 H87 A88 Q92 E93 L94C22-C90 HydrophobicContact CB-CB 3.77Å; C22-C90 WeakPolarHBondContact CB-SG 3.06Å; C22-C90 WeakPolarHBondContact SG-CB 3.34Å; C22-C90 PolarHBondContact SG-O 3.48Å; C22-C90 CovalentContact SG-SG 2.04Å; C22-C90 PolarHBondContact SG-SG 2.98Å; M86-C90 PolarHBondContact O-N 2.85Å; H87-C90 PolarHBondContact O-N 3.2Å; A88-C90 VanDerWaalsContact C-N 3.34Å; A88-C90 PolarHBondContact O-N 2.9Å; C90-Q92 VanDerWaalsContact C-N 3.32Å; C90-Q92 PolarHBondContact O-N 2.85Å; C90-E93 PolarHBondContact O-N 3.18Å; C90-L94 WeakPolarHBondContact O-CB 3.41Å; C90-L94 PolarHBondContact O-N 3.29Å
91L91.8Very high87.6Confident13 Ų1369.9 Ų69.97%0.06836%0.359CS..Hα-helixtrans-65.5-36.8179.3-72175.6000112.3C22 I24 T30 H87 A88 L94 R95C22-L91 HydrophobicContact CB-CD2 3.87Å; C22-L91 HydrophobicContact CB-CG 4.23Å; I24-L91 HydrophobicContact CD1-CD2 4.41Å; I24-L91 HydrophobicContact CG1-CD2 3.9Å; T30-L91 HydrophobicContact CG2-CD1 3.73Å; T30-L91 HydrophobicContact CG2-CD2 3.85Å; T30-L91 HydrophobicContact CG2-CG 4.48Å; H87-L91 WeakPolarHBondContact CE1-CD1 3.41Å; H87-L91 PolarHBondContact O-N 3.37Å; A88-L91 PolarHBondContact O-N 3.3Å; L91-L94 PolarHBondContact O-N 3.45Å; L91-R95 WeakPolarHBondContact O-CB 3.34Å; L91-R95 VanDerWaalsContact O-CG 3.28Å; L91-R95 WeakPolarHBondContact O-CG 3.24Å; L91-R95 PolarHBondContact O-N 3.41Å
92Q93.1Very high87Confident126 Ų12670.2 Ų70.259%0.58936%0.361SS*.Hα-helixtrans-63.4-47.4176.3-178.6176.3-8.600111.1A88 D89 C90 R95 R96A88-Q92 WeakPolarHBondContact O-CB 3.47Å; A88-Q92 PolarHBondContact O-N 2.88Å; D89-Q92 PolarHBondContact O-N 2.67Å; C90-Q92 VanDerWaalsContact C-N 3.32Å; C90-Q92 PolarHBondContact O-N 2.85Å; Q92-R95 PolarHBondContact O-N 3.12Å; Q92-R96 WeakPolarHBondContact O-CB 3.01Å; Q92-R96 PolarHBondContact O-N 3.07Å
93E91.3Very high85.9Confident79 Ų7970.4 Ų70.437%0.36937%0.367SS..Hα-helixtrans-63.7-42.4176-76.4-58.4133.700111.9D89 C90 R95 R96 Y97D89-E93 PolarHBondContact O-N 3.46Å; C90-E93 PolarHBondContact O-N 3.18Å; E93-R95 PolarHBondContact O-N 2.96Å; E93-R96 WeakPolarHBondContact O-CB 3.08Å; E93-R96 PolarHBondContact O-N 3.18Å; E93-R96 IonicContact OE1-NE 3.25Å; E93-R96 IonicContact OE2-CZ 2.88Å; E93-R96 VanDerWaalsContact OE2-CZ 3.28Å; E93-R96 IonicContact OE2-NE 3.67Å; E93-R96 PolarHBondContact OE2-NE 3.15Å; E93-R96 IonicContact OE2-NH2 3.35Å; E93-R96 PolarHBondContact OE2-NH2 3.27Å; E93-Y97 HydrophobicContact CB-CD2 4.49Å; E93-Y97 HydrophobicContact CB-CE2 4.28Å; E93-Y97 WeakPolarHBondContact O-CD2 3.22Å; E93-Y97 PolarHBondContact O-N 3.45Å
94L90.6Very high84.7Confident46 Ų4676 Ų7624%0.24140%0.397CS..Hα-helixtrans-59.3-46.5176.4179.457.7000111.5I24 C90 L91 Y97 L98I24-L94 HydrophobicContact CD1-CD2 3.84Å; I24-L94 HydrophobicContact CD1-CG 4.05Å; I24-L94 HydrophobicContact CG1-CD2 3.85Å; C90-L94 WeakPolarHBondContact O-CB 3.41Å; C90-L94 PolarHBondContact O-N 3.29Å; L91-L94 PolarHBondContact O-N 3.45Å; L94-Y97 PolarHBondContact O-N 2.9Å; L94-L98 HydrophobicContact CD1-CD1 4.28Å; L94-L98 HydrophobicContact CD1-CG 4.35Å; L94-L98 HydrophobicContact CG-CD1 4.13Å; L94-L98 VanDerWaalsContact O-CG 3.24Å; L94-L98 WeakPolarHBondContact O-CG 3.28Å; L94-L98 PolarHBondContact O-N 3.45Å
95R90.8Very high83.9Confident134 Ų13481.9 Ų81.951%0.50642%0.417SS..Hα-helixtrans-60.3-45.6174.9-73.3175.2-176.1-172.81.3111.7I24 L91 Q92 E93 Y97 L98 E99I24-R95 HydrophobicContact CD1-CG 3.75Å; L91-R95 WeakPolarHBondContact O-CB 3.34Å; L91-R95 VanDerWaalsContact O-CG 3.28Å; L91-R95 WeakPolarHBondContact O-CG 3.24Å; L91-R95 PolarHBondContact O-N 3.41Å; Q92-R95 PolarHBondContact O-N 3.12Å; E93-R95 PolarHBondContact O-N 2.96Å; R95-Y97 VanDerWaalsContact C-N 3.32Å; R95-Y97 PolarHBondContact O-N 2.92Å; R95-L98 PolarHBondContact O-N 3.23Å; R95-E99 WeakPolarHBondContact O-CB 3.44Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.93Å
96R90.3Very high83.5Confident106 Ų10685.5 Ų85.540%0.442%0.421SS..Hα-helixtrans-58.2-43.5177-169.4-171.366.2711111.7Q92 E93 E99 S100Q92-R96 WeakPolarHBondContact O-CB 3.01Å; Q92-R96 PolarHBondContact O-N 3.07Å; E93-R96 WeakPolarHBondContact O-CB 3.08Å; E93-R96 PolarHBondContact O-N 3.18Å; E93-R96 IonicContact OE1-NE 3.25Å; E93-R96 IonicContact OE2-CZ 2.88Å; E93-R96 VanDerWaalsContact OE2-CZ 3.28Å; E93-R96 IonicContact OE2-NE 3.67Å; E93-R96 PolarHBondContact OE2-NE 3.15Å; E93-R96 IonicContact OE2-NH2 3.35Å; E93-R96 PolarHBondContact OE2-NH2 3.27Å; R96-E99 PolarHBondContact O-N 3.46Å; R96-S100 VanDerWaalsContact O-CB 3.23Å; R96-S100 WeakPolarHBondContact O-CB 3.33Å; R96-S100 PolarHBondContact O-N 3.39Å; R96-S100 PolarHBondContact O-OG 2.93Å
97Y86.1Confident83.6Confident101 Ų10188.3 Ų88.340%0.39644%0.439SS..Hα-helixtrans-66-39.8177-76.8-56.5000112.8E93 L94 R95 S100 V103E93-Y97 HydrophobicContact CB-CD2 4.49Å; E93-Y97 HydrophobicContact CB-CE2 4.28Å; E93-Y97 WeakPolarHBondContact O-CD2 3.22Å; E93-Y97 PolarHBondContact O-N 3.45Å; L94-Y97 PolarHBondContact O-N 2.9Å; R95-Y97 VanDerWaalsContact C-N 3.32Å; R95-Y97 PolarHBondContact O-N 2.92Å; Y97-S100 WeakPolarHBondContact CA-OG 3.31Å; Y97-S100 PolarHBondContact O-OG 3.39Å; Y97-V103 PolarHBondContact O-N 3.38Å
98L84.5Confident83.9Confident66 Ų6688.7 Ų88.735%0.34644%0.443SS..Hα-helixtrans-64.4-45.1175-69.1168.9000111.7I24 L94 R95 G101 V103I24-L98 HydrophobicContact CD1-CD1 4.27Å; L94-L98 HydrophobicContact CD1-CD1 4.28Å; L94-L98 HydrophobicContact CD1-CG 4.35Å; L94-L98 HydrophobicContact CG-CD1 4.13Å; L94-L98 VanDerWaalsContact O-CG 3.24Å; L94-L98 WeakPolarHBondContact O-CG 3.28Å; L94-L98 PolarHBondContact O-N 3.45Å; R95-L98 PolarHBondContact O-N 3.23Å; L98-G101 PolarHBondContact O-N 3.18Å; L98-V103 HydrophobicContact CD2-CB 4.37Å; L98-V103 HydrophobicContact CD2-CG1 4.12Å
99E86.3Confident84.1Confident161 Ų16190.4 Ų90.475%0.75245%0.45SS*.Hα-helixtrans-67.9-37.9178.8-72.8170.6-171.300112.6R95 R96 G101R95-E99 WeakPolarHBondContact O-CB 3.44Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 2.93Å; R96-E99 PolarHBondContact O-N 3.46Å; E99-G101 PolarHBondContact O-N 3.47Å; E99-G101 VanDerWaalsContact O-N 3.16Å
100S84.5Confident84.4Confident60 Ų6086.8 Ų86.842%0.4243%0.432SS..THydrogen-bonded Turntrans-67.5-11.8178.770.30000114R96 Y97 V102R96-S100 VanDerWaalsContact O-CB 3.23Å; R96-S100 WeakPolarHBondContact O-CB 3.33Å; R96-S100 PolarHBondContact O-N 3.39Å; R96-S100 PolarHBondContact O-OG 2.93Å; Y97-S100 WeakPolarHBondContact CA-OG 3.31Å; Y97-S100 PolarHBondContact O-OG 3.39Å; S100-V102 PolarHBondContact O-N 2.04Å; S100-V102 VanDerWaalsContact O-N 3.12Å; S100-V102 WeakPolarHBondContact OG-CB 3.47Å; S100-V102 WeakPolarHBondContact OG-CG2 3.32Å; S100-V102 PolarHBondContact OG-N 3.27Å
101G71.3Confident84.6Confident29 Ų2990.4 Ų90.430%0.29945%0.446SS..THydrogen-bonded Turntrans68.81.7-175.300000114.5L98 E99 V103 L104L98-G101 PolarHBondContact O-N 3.18Å; E99-G101 PolarHBondContact O-N 3.47Å; E99-G101 VanDerWaalsContact O-N 3.16Å; G101-V103 PolarHBondContact O-N 3.07Å; G101-L104 WeakPolarHBondContact O-CD1 3.2Å; G101-L104 PolarHBondContact O-N 3.42Å
102V73.7Confident84.8Confident114 Ų11491.2 Ų91.269%0.69145%0.452SS*.SBendtrans-59.2-39.9171.6173.20000109.9S100 L104S100-V102 PolarHBondContact O-N 2.04Å; S100-V102 VanDerWaalsContact O-N 3.12Å; S100-V102 WeakPolarHBondContact OG-CB 3.47Å; S100-V102 WeakPolarHBondContact OG-CG2 3.32Å; S100-V102 PolarHBondContact OG-N 3.27Å; V102-L104 VanDerWaalsContact C-N 3.28Å; V102-L104 PolarHBondContact O-N 3.46Å
103V65.4Low85Confident72 Ų7290 Ų9044%0.43645%0.449SS..SBendtrans-92.269.4166-174.10000107.2Y97 L98 G101 R105Y97-V103 PolarHBondContact O-N 3.38Å; L98-V103 HydrophobicContact CD2-CB 4.37Å; L98-V103 HydrophobicContact CD2-CG1 4.12Å; G101-V103 PolarHBondContact O-N 3.07Å; V103-R105 PolarHBondContact O-N 2.97Å; V103-R105 VanDerWaalsContact O-N 3.11Å
104L61.4Low85.3Confident137 Ų13787 Ų8772%0.71744%0.436SS*.  trans-56.9121.5168.4-113.9133000106.2G101 V102 R106G101-L104 WeakPolarHBondContact O-CD1 3.2Å; G101-L104 PolarHBondContact O-N 3.42Å; V102-L104 VanDerWaalsContact C-N 3.28Å; V102-L104 PolarHBondContact O-N 3.46Å; L104-R106 PolarHBondContact O-N 2.78Å
105R67.1Low85.4Confident207 Ų20787.9 Ų87.978%0.78144%0.443SS*.  trans-59.782.2162.3-76.2-175.5176.2-173.6-1.5106.1V103 T107V103-R105 PolarHBondContact O-N 2.97Å; V103-R105 VanDerWaalsContact O-N 3.11Å; R105-T107 PolarHBondContact O-N 2.86Å
106R79.8Confident85.4Confident120 Ų12084.1 Ų84.145%0.45343%0.429SS..  trans-69.678.6-174.7-179.8-154.1172.6-166.1-0.7107.5L104 V108 Y134 G165L104-R106 PolarHBondContact O-N 2.78Å; R106-V108 HydrophobicContact CG-CG2 4.14Å; R106-V108 PolarHBondContact O-N 3.38Å; R106-Y134 HydrophobicContact CB-CD1 4.46Å; R106-Y134 WeakPolarHBondContact O-CD1 3.27Å; R106-G165 PolarHBondContact NH1-O 3.11Å
107T88.6Confident85.4Confident72 Ų7281.7 Ų81.744%0.44243%0.429SS..  trans-76.5116.8176.4-54.90000108.6R105 Y134R105-T107 PolarHBondContact O-N 2.86Å; T107-Y134 WeakPolarHBondContact CA-O 3.48Å
108V93Very high85.3Confident38 Ų3881.3 Ų81.323%0.2343%0.43CS..BIsolated β-bridgetrans-109.2109.4168.1-170.40000106.2R106 S132 F133 Y134 T166 H189R106-V108 HydrophobicContact CG-CG2 4.14Å; R106-V108 PolarHBondContact O-N 3.38Å; V108-S132 WeakPolarHBondContact CG1-O 3.41Å; V108-F133 CarbonylContact O-C 3.53Å; V108-F133 VanDerWaalsContact O-CA 3.22Å; V108-F133 WeakPolarHBondContact O-CA 3.36Å; V108-Y134 PolarHBondContact N-O 2.72Å; V108-Y134 PolarHBondContact O-N 2.97Å; V108-T166 HydrophobicContact CB-CG2 4.48Å; V108-T166 HydrophobicContact CG2-CG2 4.39Å; V108-H189 PolarHBondContact O-CE1 3.29Å
109P94.3Very high85Confident83 Ų8379.5 Ų79.554%0.53943%0.425SS..PPolyproline II helixtrans-61.8145.8178.1-22.233.1000111.5
110P96.7Very high84.7Confident18 Ų1875.5 Ų75.512%0.11742%0.415CS..PPolyproline II helixtrans-67.1139.5177.325.3-32.4000112V112 A130 S131 F133 I138 M187 H189P110-V112 HydrophobicContact CB-CG2 4.17Å; P110-V112 HydrophobicContact CG-CG2 4.28Å; P110-A130 HydrophobicContact CB-CB 4.02Å; P110-S131 WeakPolarHBondContact CA-O 3.46Å; P110-F133 HydrophobicContact CB-CB 3.74Å; P110-F133 HydrophobicContact CB-CD1 4.05Å; P110-F133 HydrophobicContact CB-CG 4.18Å; P110-F133 HydrophobicContact CG-CB 4.39Å; P110-I138 HydrophobicContact CB-CD1 4.22Å; P110-I138 HydrophobicContact CG-CD1 4.17Å; P110-M187 HydrophobicContact CG-CE 3.46Å; P110-M187 VanDerWaalsContact CG-CE 3.46Å; P110-M187 HydrophobicContact CG-CG 4.21Å; P110-M187 HydrophobicContact CG-SD 3.58Å; P110-M187 VanDerWaalsContact CG-SD 3.58Å; P110-H189 HydrophobicContact CG-CB 4.18Å
111M95.9Very high84.3Confident116 Ų11681.3 Ų81.357%0.57144%0.435SS*.EExtended strand (participates in β ladder)trans-81.1116.2157.7-64.1-170.1-63.200108.2S131 S132M111-S131 PolarHBondContact N-O 2.93Å; M111-S131 PolarHBondContact O-N 2.93Å; M111-S131 PolarHBondContact O-OG 3.36Å; M111-S132 WeakPolarHBondContact CE-OG 3.4Å
112V97Very high84.8Confident31 Ų3182 Ų8219%0.18844%0.443CS..EExtended strand (participates in β ladder)trans-103.9128.9-178.6-175.30000110.4P110 R129 M187 H196P110-V112 HydrophobicContact CB-CG2 4.17Å; P110-V112 HydrophobicContact CG-CG2 4.28Å; V112-R129 CarbonylContact C-O 3.52Å; V112-R129 WeakPolarHBondContact CA-O 3.42Å; V112-M187 HydrophobicContact CG2-CE 4.47Å; V112-M187 HydrophobicContact CG2-CG 4.3Å; V112-H196 WeakPolarHBondContact CB-NE2 3.36Å; V112-H196 HydrophobicContact CG1-CB 4.38Å; V112-H196 VanDerWaalsContact CG1-CD2 3.47Å; V112-H196 WeakPolarHBondContact CG1-CD2 3.24Å
113N96.7Very high85.6Confident99 Ų9979 Ų7953%0.52942%0.423SS..EExtended strand (participates in β ladder)trans-128.2133.4175-170.122.5000110.3R129N113-R129 PolarHBondContact N-O 2.93Å; N113-R129 PolarHBondContact O-N 3.22Å
114V97.1Very high86.8Confident17 Ų1775.9 Ų75.910%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-110119.8177.1-179.20000108.5T127 C128 W142 C185 H196V114-T127 CarbonylContact C-O 3.48Å; V114-T127 WeakPolarHBondContact CA-O 3.38Å; V114-C128 HydrophobicContact CG2-CB 4.43Å; V114-W142 HydrophobicContact CG1-CH2 3.73Å; V114-W142 HydrophobicContact CG1-CZ2 4.33Å; V114-C185 HydrophobicContact CG2-CB 4.35Å; V114-H196 HydrophobicContact CG2-CB 3.71Å
115T94.2Very high88.4Confident64 Ų6470.4 Ų70.439%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-117.1160.8178.9620000111.2V126 T127T115-V126 WeakPolarHBondContact O-CA 3.28Å; T115-T127 PolarHBondContact N-O 2.89Å; T115-T127 PolarHBondContact O-N 3.05Å
116R90.6Very high89.8Confident55 Ų5560.5 Ų60.521%0.20834%0.339CS..EExtended strand (participates in β ladder)trans-129.5138.2177.671.5-168.1-150.5156.617.5109.7T125 G201R116-T125 WeakPolarHBondContact CA-O 3.2Å; R116-G201 VanDerWaalsContact CZ-C 3.47Å; R116-G201 PolarHBondContact NE-O 3.46Å; R116-G201 PolarHBondContact NH1-O 3.35Å; R116-G201 PolarHBondContact NH2-O 3.11Å
117S89.5Confident90.6Very high56 Ų5656.2 Ų56.239%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-129.6146.6171.461.60000109.8A119 I124 T125S117-A119 PolarHBondContact O-N 2.6Å; S117-I124 WeakPolarHBondContact O-CA 3.14Å; S117-T125 PolarHBondContact N-O 3.33Å; S117-T125 PolarHBondContact O-N 2.93Å
118E84.9Confident91.1Very high92 Ų9252.8 Ų52.843%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-62.4135.9172.9-65.3-65.2178.200110.3R177 V203E118-R177 IonicContact OE1-CZ 3.72Å; E118-R177 IonicContact OE1-NH2 2.92Å; E118-R177 PolarHBondContact OE1-NH2 2.83Å; E118-R177 IonicContact OE2-CZ 3.59Å; E118-R177 IonicContact OE2-NH2 2.63Å; E118-R177 PolarHBondContact OE2-NH2 3.34Å; E118-V203 HydrophobicContact CG-CG1 4.47Å; E118-V203 HydrophobicContact CG-CG2 4.16Å; E118-V203 VanDerWaalsContact OE1-CG2 3.27Å; E118-V203 WeakPolarHBondContact OE1-CG2 3.08Å
119A77.6Confident91.3Very high29 Ų2955.7 Ų55.724%0.2431%0.312CS..  trans-114.2-179.5167.100000109.1S117 N123S117-A119 PolarHBondContact O-N 2.6Å; A119-N123 CarbonylContact C-O 3.59Å; A119-N123 WeakPolarHBondContact CA-O 3.47Å; A119-N123 HydrophobicContact CB-CB 4.18Å; A119-N123 WeakPolarHBondContact CB-O 3.09Å; A119-N123 PolarHBondContact N-O 3.34Å; A119-N123 VanDerWaalsContact N-O 3.07Å
120S79.5Confident91.5Very high76 Ų7651.8 Ų51.853%0.53129%0.286SS..SBendtrans-69.9150.7177.150.90000111.8G122 N123S120-G122 PolarHBondContact O-N 3.44Å; S120-N123 WeakPolarHBondContact O-CB 3.25Å; S120-N123 PolarHBondContact O-N 3.17Å; S120-N123 PolarHBondContact O-ND2 2.95Å
121E77.2Confident91.5Very high182 Ų18252.2 Ų52.285%0.8529%0.29SS*.THydrogen-bonded Turntrans59.147.5161.4-62170.1-167.400115.4N123E121-N123 PolarHBondContact O-N 2.89Å
122G80.9Confident91.5Very high45 Ų4548.1 Ų48.146%0.46427%0.272SS..THydrogen-bonded Turntrans784.2174.600000114.7S120 R177S120-G122 PolarHBondContact O-N 3.44Å; G122-R177 WeakPolarHBondContact O-CB 2.91Å; G122-R177 PolarHBondContact O-N 2.93Å
123N89.6Confident91.4Very high51 Ų5146.7 Ų46.727%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-93.2156.1172.6-61.8-47.8000111.3A119 S120 E121 I175A119-N123 CarbonylContact C-O 3.59Å; A119-N123 WeakPolarHBondContact CA-O 3.47Å; A119-N123 HydrophobicContact CB-CB 4.18Å; A119-N123 WeakPolarHBondContact CB-O 3.09Å; A119-N123 PolarHBondContact N-O 3.34Å; A119-N123 VanDerWaalsContact N-O 3.07Å; S120-N123 WeakPolarHBondContact O-CB 3.25Å; S120-N123 PolarHBondContact O-N 3.17Å; S120-N123 PolarHBondContact O-ND2 2.95Å; E121-N123 PolarHBondContact O-N 2.89Å; N123-I175 WeakPolarHBondContact CA-O 3.24Å
124I92.2Very high91.2Very high5 Ų546.2 Ų46.23%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-125.1150.2168.162.3172.3000109.4S117 V126 R174 I175 E180S117-I124 WeakPolarHBondContact O-CA 3.14Å; I124-V126 HydrophobicContact CD1-CG1 4.11Å; I124-V126 HydrophobicContact CG1-CG1 4.42Å; I124-R174 WeakPolarHBondContact O-CA 3.4Å; I124-I175 HydrophobicContact CD1-CD1 4.11Å; I124-I175 HydrophobicContact CD1-CG1 4.04Å; I124-I175 HydrophobicContact CG1-CD1 4.2Å; I124-I175 HydrophobicContact CG1-CG1 3.56Å; I124-I175 PolarHBondContact N-O 3.34Å; I124-I175 PolarHBondContact O-N 2.82Å; I124-E180 HydrophobicContact CD1-CG 3.69Å
125T94.6Very high91Very high22 Ų2247.4 Ų47.414%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-96.9125.7167.7-55.40000108.1R116 S117 A172 T173R116-T125 WeakPolarHBondContact CA-O 3.2Å; S117-T125 PolarHBondContact N-O 3.33Å; S117-T125 PolarHBondContact O-N 2.93Å; T125-A172 HydrophobicContact CG2-CB 4.15Å; T125-T173 WeakPolarHBondContact CA-O 3.41Å
126V95.8Very high91Very high0 Ų050.2 Ų50.20%027%0.266CS..EExtended strand (participates in β ladder)trans-102.6130.8171.9-67.30000108.8T115 I124 W142 A172 T173 I175 V198T115-V126 WeakPolarHBondContact O-CA 3.28Å; I124-V126 HydrophobicContact CD1-CG1 4.11Å; I124-V126 HydrophobicContact CG1-CG1 4.42Å; V126-W142 HydrophobicContact CB-CH2 3.66Å; V126-W142 HydrophobicContact CB-CZ2 3.61Å; V126-W142 HydrophobicContact CB-CZ3 4.43Å; V126-W142 HydrophobicContact CG2-CD2 4.12Å; V126-W142 HydrophobicContact CG2-CE3 4.23Å; V126-W142 HydrophobicContact CG2-CH2 3.63Å; V126-W142 HydrophobicContact CG2-CZ2 3.5Å; V126-W142 VanDerWaalsContact CG2-CZ2 3.5Å; V126-W142 HydrophobicContact CG2-CZ3 4.01Å; V126-A172 CarbonylContact O-C 3.58Å; V126-A172 WeakPolarHBondContact O-CA 3.44Å; V126-A172 WeakPolarHBondContact O-CB 3.17Å; V126-T173 HydrophobicContact CG2-CG2 3.72Å; V126-T173 PolarHBondContact N-O 2.87Å; V126-T173 PolarHBondContact O-N 3.05Å; V126-I175 HydrophobicContact CG1-CD1 3.69Å; V126-I175 HydrophobicContact CG1-CG1 4.15Å; V126-I175 HydrophobicContact CG2-CD1 4.19Å; V126-I175 HydrophobicContact CG2-CG1 4.44Å; V126-I175 HydrophobicContact CG2-CG2 4.28Å; V126-V198 HydrophobicContact CB-CG2 4.4Å; V126-V198 HydrophobicContact CG1-CG1 3.75Å; V126-V198 HydrophobicContact CG1-CG2 3.98Å
127T97.4Very high91.2Very high29 Ų2953.2 Ų53.218%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-123.6124.7-179-56.50000109.3V114 T115 W170 A172V114-T127 CarbonylContact C-O 3.48Å; V114-T127 WeakPolarHBondContact CA-O 3.38Å; T115-T127 PolarHBondContact N-O 2.89Å; T115-T127 PolarHBondContact O-N 3.05Å; T127-W170 HydrophobicContact CG2-CB 4.22Å; T127-W170 HydrophobicContact CG2-CE3 4.14Å; T127-A172 HydrophobicContact CG2-CB 4.24Å
128C98.1Very high91.5Very high0 Ų052 Ų520%028%0.276CS..EExtended strand (participates in β ladder)trans-103.6121.3172.4-173.30000108.4V114 W142 W170 V171 C185V114-C128 HydrophobicContact CG2-CB 4.43Å; C128-W142 HydrophobicContact CB-CZ2 3.84Å; C128-W170 CarbonylContact O-C 3.54Å; C128-W170 WeakPolarHBondContact O-CA 3.37Å; C128-W170 WeakPolarHBondContact O-CB 3.22Å; C128-V171 HydrophobicContact CB-CG1 4.03Å; C128-V171 PolarHBondContact N-O 3.06Å; C128-V171 PolarHBondContact O-N 3.38Å; C128-C185 HydrophobicContact CB-CB 3.52Å; C128-C185 WeakPolarHBondContact CB-SG 3.37Å; C128-C185 WeakPolarHBondContact SG-CB 3.23Å; C128-C185 CovalentContact SG-SG 2.03Å; C128-C185 PolarHBondContact SG-SG 2.65Å
129R98.1Very high92.1Very high100 Ų10051.7 Ų51.738%0.37728%0.276SS..EExtended strand (participates in β ladder)trans-116.9125.8-177.7-177.9172.8-110.2-98.5-5.1109.3V112 N113 W170V112-R129 CarbonylContact C-O 3.52Å; V112-R129 WeakPolarHBondContact CA-O 3.42Å; N113-R129 PolarHBondContact N-O 2.93Å; N113-R129 PolarHBondContact O-N 3.22Å; R129-W170 HydrophobicContact CB-CB 4.17Å; R129-W170 HydrophobicContact CG-CB 4.32Å
130A98Very high93Very high0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-105.8130.7170.900000108.5P110 F133 I138 L140 Q168 T169P110-A130 HydrophobicContact CB-CB 4.02Å; A130-F133 HydrophobicContact CB-CD1 4.18Å; A130-F133 HydrophobicContact CB-CE1 4.05Å; A130-I138 HydrophobicContact CB-CD1 3.7Å; A130-L140 HydrophobicContact CB-CD1 4.37Å; A130-L140 HydrophobicContact CB-CD2 4.15Å; A130-Q168 CarbonylContact O-C 3.54Å; A130-Q168 VanDerWaalsContact O-CA 3.28Å; A130-Q168 WeakPolarHBondContact O-CA 3.21Å; A130-T169 HydrophobicContact CB-CG2 4.34Å; A130-T169 PolarHBondContact N-O 3.07Å; A130-T169 PolarHBondContact O-N 3.46Å
131S96.7Very high93.9Very high28 Ų2847.6 Ų47.620%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-138.9160.2-176.356.20000111.9P110 M111 F133 Y167P110-S131 WeakPolarHBondContact CA-O 3.46Å; M111-S131 PolarHBondContact N-O 2.93Å; M111-S131 PolarHBondContact O-N 2.93Å; M111-S131 PolarHBondContact O-OG 3.36Å; S131-F133 VanDerWaalsContact C-N 3.28Å; S131-F133 PolarHBondContact O-N 3.4Å; S131-Y167 CarbonylContact C-O 3.47Å
132S95.2Very high94.9Very high30 Ų3038.9 Ų38.921%0.2120%0.204CC..EExtended strand (participates in β ladder)trans56.336.1176.6-55.10000114.9V108 M111 D162 T166 Y167V108-S132 WeakPolarHBondContact CG1-O 3.41Å; M111-S132 WeakPolarHBondContact CE-OG 3.4Å; S132-D162 WeakPolarHBondContact CA-OD2 3.45Å; S132-D162 PolarHBondContact N-OD2 2.86Å; S132-T166 WeakPolarHBondContact CA-OG1 3.43Å; S132-Y167 PolarHBondContact N-O 3.37Å
133F95.3Very high95.7Very high0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-104.1153.8179.662.9-90.8000113.8V108 P110 A130 S131 P135 I138 V159 T166 Y167 T169 H189V108-F133 CarbonylContact O-C 3.53Å; V108-F133 VanDerWaalsContact O-CA 3.22Å; V108-F133 WeakPolarHBondContact O-CA 3.36Å; P110-F133 HydrophobicContact CB-CB 3.74Å; P110-F133 HydrophobicContact CB-CD1 4.05Å; P110-F133 HydrophobicContact CB-CG 4.18Å; P110-F133 HydrophobicContact CG-CB 4.39Å; A130-F133 HydrophobicContact CB-CD1 4.18Å; A130-F133 HydrophobicContact CB-CE1 4.05Å; S131-F133 VanDerWaalsContact C-N 3.28Å; S131-F133 PolarHBondContact O-N 3.4Å; F133-P135 WeakPolarHBondContact CD2-O 3.21Å; F133-I138 HydrophobicContact CD1-CD1 4.08Å; F133-I138 HydrophobicContact CD2-CB 4.35Å; F133-I138 HydrophobicContact CD2-CD1 4.24Å; F133-I138 HydrophobicContact CE1-CD1 4.01Å; F133-I138 HydrophobicContact CE1-CG2 4.43Å; F133-I138 HydrophobicContact CE2-CB 3.84Å; F133-I138 HydrophobicContact CE2-CD1 4.18Å; F133-I138 HydrophobicContact CE2-CG2 3.6Å; F133-I138 HydrophobicContact CG-CD1 4.2Å; F133-I138 HydrophobicContact CZ-CB 4.18Å; F133-I138 HydrophobicContact CZ-CD1 4.08Å; F133-I138 HydrophobicContact CZ-CG2 3.54Å; F133-V159 HydrophobicContact CE2-CG1 4.3Å; F133-V159 HydrophobicContact CZ-CG1 3.99Å; F133-T166 CarbonylContact O-C 3.55Å; F133-T166 WeakPolarHBondContact O-CA 3.34Å; F133-T166 WeakPolarHBondContact O-CB 3.22Å; F133-Y167 WeakPolarHBondContact CD1-O 3.41Å; F133-Y167 WeakPolarHBondContact CE1-O 3.4Å; F133-Y167 HydrophobicContact CE2-CG 4.49Å; F133-Y167 PolarHBondContact N-O 3.29Å; F133-Y167 WeakPolarHBondContact O-CD2 3.38Å; F133-Y167 PolarHBondContact O-N 3.06Å; F133-T169 HydrophobicContact CE1-CG2 4.02Å; F133-T169 HydrophobicContact CZ-CG2 3.92Å; F133-H189 AromaticContact CD2-CD2 3.93Å; F133-H189 AromaticContact CD2-NE2 3.63Å
134Y93.3Very high96.1Very high90 Ų9040.1 Ų40.135%0.35319%0.193SC..BIsolated β-bridgetrans-151.7137.7169.5-177.1-76.1000109R106 T107 V108 G165 Y167 H189R106-Y134 HydrophobicContact CB-CD1 4.46Å; R106-Y134 WeakPolarHBondContact O-CD1 3.27Å; T107-Y134 WeakPolarHBondContact CA-O 3.48Å; V108-Y134 PolarHBondContact N-O 2.72Å; V108-Y134 PolarHBondContact O-N 2.97Å; Y134-G165 WeakPolarHBondContact CD2-O 3.44Å; Y134-Y167 HydrophobicContact CD2-CD2 4.43Å; Y134-Y167 AromaticContact CD2-CE2 3.83Å; Y134-Y167 HydrophobicContact CD2-CE2 3.83Å; Y134-Y167 HydrophobicContact CE2-CE2 4.26Å; Y134-H189 VanDerWaalsContact C-CE1 3.43Å; Y134-H189 PolarHBondContact O-CE1 3.33Å
135P92.6Very high96.3Very high42 Ų4244.5 Ų44.527%0.27322%0.217SC..SBendcis-74.8174.57.531.8-37000113.8F133 N137 H189 S190F133-P135 WeakPolarHBondContact CD2-O 3.21Å; P135-N137 VanDerWaalsContact C-N 3.25Å; P135-N137 PolarHBondContact O-N 3.24Å; P135-H189 PolarHBondContact O-NE2 3.45Å; P135-S190 WeakPolarHBondContact CD-OG 3.22Å
136R94.4Very high96.3Very high122 Ų12245.8 Ų45.846%0.4623%0.234SC..SBendtrans-59.7-31.2-176.7-168.2177.2-171.6-89.60.6113.9I138 V159 Y167R136-I138 PolarHBondContact O-N 3.36Å; R136-V159 HydrophobicContact CG-CB 4.47Å; R136-V159 HydrophobicContact CG-CG1 3.66Å; R136-V159 PolarHBondContact NH2-O 2.97Å; R136-Y167 HydrophobicContact CB-CD1 4.36Å; R136-Y167 HydrophobicContact CB-CD2 3.92Å; R136-Y167 HydrophobicContact CB-CE1 4.06Å; R136-Y167 HydrophobicContact CB-CE2 3.6Å; R136-Y167 HydrophobicContact CB-CG 4.3Å; R136-Y167 HydrophobicContact CG-CD1 3.86Å; R136-Y167 HydrophobicContact CG-CD2 4.26Å; R136-Y167 HydrophobicContact CG-CE1 3.74Å; R136-Y167 HydrophobicContact CG-CE2 4.17Å; R136-Y167 HydrophobicContact CG-CG 4.12Å
137N94Very high96.3Very high119 Ų11950.7 Ų50.764%0.63626%0.264SS*.  trans-71.1120.7-176.6-65.1-7.4000110P135 H189P135-N137 VanDerWaalsContact C-N 3.25Å; P135-N137 PolarHBondContact O-N 3.24Å; N137-H189 PolarHBondContact O-CD2 3.44Å
138I96.3Very high96.3Very high31 Ų3152.2 Ų52.216%0.15928%0.276CS..  trans-146.9146.2177.6-171.4166.2000108.8P110 A130 F133 R136 T169 M187 H189P110-I138 HydrophobicContact CB-CD1 4.22Å; P110-I138 HydrophobicContact CG-CD1 4.17Å; A130-I138 HydrophobicContact CB-CD1 3.7Å; F133-I138 HydrophobicContact CD1-CD1 4.08Å; F133-I138 HydrophobicContact CD2-CB 4.35Å; F133-I138 HydrophobicContact CD2-CD1 4.24Å; F133-I138 HydrophobicContact CE1-CD1 4.01Å; F133-I138 HydrophobicContact CE1-CG2 4.43Å; F133-I138 HydrophobicContact CE2-CB 3.84Å; F133-I138 HydrophobicContact CE2-CD1 4.18Å; F133-I138 HydrophobicContact CE2-CG2 3.6Å; F133-I138 HydrophobicContact CG-CD1 4.2Å; F133-I138 HydrophobicContact CZ-CB 4.18Å; F133-I138 HydrophobicContact CZ-CD1 4.08Å; F133-I138 HydrophobicContact CZ-CG2 3.54Å; R136-I138 PolarHBondContact O-N 3.36Å; I138-T169 HydrophobicContact CG2-CG2 3.84Å; I138-M187 HydrophobicContact CD1-CG 4.1Å; I138-M187 HydrophobicContact CD1-SD 4.38Å; I138-M187 HydrophobicContact CG1-CG 4.37Å; I138-H189 HydrophobicContact CD1-CB 4.45Å; I138-H189 HydrophobicContact CG1-CB 4.23Å
139I96.8Very high96.2Very high85 Ų8553.9 Ų53.944%0.43628%0.284SS..EExtended strand (participates in β ladder)trans-112.2129.4168.7-59172.9000107.1M187 E188I139-M187 CarbonylContact O-C 3.59Å; I139-M187 WeakPolarHBondContact O-CA 3.48Å; I139-E188 HydrophobicContact CB-CB 4.14Å; I139-E188 HydrophobicContact CD1-CG 4.38Å; I139-E188 PolarHBondContact N-O 3.31Å; I139-E188 PolarHBondContact O-N 2.81Å
140L97.4Very high96Very high3 Ų352 Ų522%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-141.4107.8-178-167.672.2000109.5A130 W156 T169 V171 C185 Y186 M187A130-L140 HydrophobicContact CB-CD1 4.37Å; A130-L140 HydrophobicContact CB-CD2 4.15Å; L140-W156 WeakPolarHBondContact O-CH2 3.46Å; L140-W156 WeakPolarHBondContact O-CZ3 3.34Å; L140-T169 HydrophobicContact CD2-CG2 4.27Å; L140-V171 HydrophobicContact CB-CG1 4.41Å; L140-V171 HydrophobicContact CD2-CB 4.4Å; L140-V171 HydrophobicContact CD2-CG1 3.89Å; L140-V171 HydrophobicContact CG-CG1 3.73Å; L140-C185 VanDerWaalsContact CD1-SG 3.54Å; L140-Y186 CarbonylContact C-O 3.55Å; L140-Y186 WeakPolarHBondContact CA-O 3.46Å; L140-M187 HydrophobicContact CD1-CB 3.8Å; L140-M187 HydrophobicContact CD1-CG 3.86Å
141T98Very high95.7Very high15 Ų1558.2 Ų58.29%0.09232%0.316CS..EExtended strand (participates in β ladder)trans-140.4148.7-174.4-170.50000111.9Q154 Y186T141-Q154 PolarHBondContact OG1-NE2 3.04Å; T141-Q154 PolarHBondContact OG1-OE1 2.84Å; T141-Y186 HydrophobicContact CG2-CD1 4.06Å; T141-Y186 PolarHBondContact N-O 3.36Å; T141-Y186 PolarHBondContact O-N 2.68Å
142W98.3Very high95.5Very high0 Ų064.1 Ų64.10%035%0.345CS..EExtended strand (participates in β ladder)trans-78139.7169.8-76.7100.5000111V114 V126 C128 L149 V171 T173 F183 C185 V198V114-W142 HydrophobicContact CG1-CH2 3.73Å; V114-W142 HydrophobicContact CG1-CZ2 4.33Å; V126-W142 HydrophobicContact CB-CH2 3.66Å; V126-W142 HydrophobicContact CB-CZ2 3.61Å; V126-W142 HydrophobicContact CB-CZ3 4.43Å; V126-W142 HydrophobicContact CG2-CD2 4.12Å; V126-W142 HydrophobicContact CG2-CE3 4.23Å; V126-W142 HydrophobicContact CG2-CH2 3.63Å; V126-W142 HydrophobicContact CG2-CZ2 3.5Å; V126-W142 VanDerWaalsContact CG2-CZ2 3.5Å; V126-W142 HydrophobicContact CG2-CZ3 4.01Å; C128-W142 HydrophobicContact CB-CZ2 3.84Å; W142-L149 HydrophobicContact CB-CD1 3.67Å; W142-L149 HydrophobicContact CB-CG 4.17Å; W142-L149 PolarHBondContact O-N 3.13Å; W142-V171 PolarHBondContact NE1-O 3.37Å; W142-V171 VanDerWaalsContact NE1-O 3.08Å; W142-T173 HydrophobicContact CB-CG2 4.04Å; W142-T173 HydrophobicContact CD2-CG2 3.99Å; W142-T173 HydrophobicContact CG-CG2 3.62Å; W142-F183 HydrophobicContact CE3-CB 4.15Å; W142-F183 HydrophobicContact CZ3-CB 4.16Å; W142-C185 HydrophobicContact CE3-CB 4.38Å; W142-C185 HydrophobicContact CH2-CB 4.25Å; W142-C185 HydrophobicContact CZ2-CB 4.45Å; W142-C185 HydrophobicContact CZ3-CB 4.21Å; W142-V198 HydrophobicContact CH2-CG2 3.76Å; W142-V198 HydrophobicContact CZ3-CG2 3.55Å
143R98.1Very high95.4Very high63 Ų6366.2 Ų66.224%0.23836%0.357CS..EExtended strand (participates in β ladder)trans-121.2134.4172.5-63.2-172.7172.3-178.77.2110.2G146 V147 S148 F183 T184 Y186R143-G146 WeakPolarHBondContact CD-O 3.26Å; R143-V147 CarbonylContact C-O 3.5Å; R143-V147 WeakPolarHBondContact CA-O 3.25Å; R143-S148 PolarHBondContact NE-OG 2.97Å; R143-F183 WeakPolarHBondContact O-CA 3.43Å; R143-T184 PolarHBondContact N-O 3.23Å; R143-T184 PolarHBondContact O-N 3.25Å; R143-Y186 VanDerWaalsContact CZ-CD2 3.41Å; R143-Y186 VanDerWaalsContact CZ-CG 3.49Å; R143-Y186 VanDerWaalsContact NH2-CD2 3.32Å; R143-Y186 VanDerWaalsContact NH2-CG 3.35Å
144Q97.4Very high95.4Very high59 Ų5966.8 Ų66.828%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-105122.8169-176.9176.8-8.400108.6G146 V147 L149 R182 F183Q144-G146 PolarHBondContact O-N 3.35Å; Q144-G146 VanDerWaalsContact O-N 3.07Å; Q144-V147 PolarHBondContact N-O 2.89Å; Q144-V147 PolarHBondContact O-N 3.24Å; Q144-L149 HydrophobicContact CB-CD2 3.91Å; Q144-R182 CarbonylContact C-O 3.54Å; Q144-R182 WeakPolarHBondContact CA-O 3.17Å; Q144-R182 HydrophobicContact CG-CB 4.47Å; Q144-F183 HydrophobicContact CB-CD1 4.1Å; Q144-F183 HydrophobicContact CB-CE1 3.71Å; Q144-F183 HydrophobicContact CB-CZ 4.12Å; Q144-F183 HydrophobicContact CG-CE1 3.95Å; Q144-F183 HydrophobicContact CG-CE2 4.26Å; Q144-F183 HydrophobicContact CG-CZ 3.81Å
145D96.3Very high95.6Very high97 Ų9767.5 Ų67.552%0.51937%0.366SS..THydrogen-bonded Turntrans50.735.2-177.6-54.6-51000112.9R182D145-R182 PolarHBondContact N-O 2.89Å; D145-R182 WeakPolarHBondContact OD1-CB 3.42Å; D145-R182 WeakPolarHBondContact OD1-CG 3.16Å; D145-R182 IonicContact OD1-NE 3.86Å; D145-R182 PolarHBondContact OD1-NE 3.17Å; D145-R182 IonicContact OD2-CZ 2.97Å; D145-R182 VanDerWaalsContact OD2-CZ 3.25Å; D145-R182 IonicContact OD2-NE 3.74Å; D145-R182 PolarHBondContact OD2-NE 3.41Å; D145-R182 IonicContact OD2-NH2 2.79Å; D145-R182 PolarHBondContact OD2-NH2 3.29Å
146G94.4Very high95.8Very high48 Ų4870.2 Ų70.250%0.49537%0.371SS..THydrogen-bonded Turntrans86.8-4.1-179.600000115.8R143 Q144R143-G146 WeakPolarHBondContact CD-O 3.26Å; Q144-G146 PolarHBondContact O-N 3.35Å; Q144-G146 VanDerWaalsContact O-N 3.07Å
147V97.3Very high95.9Very high103 Ų10365 Ų6562%0.62436%0.355SS*.EExtended strand (participates in β ladder)trans-101.7128-180-176.40000110.8R143 Q144 L149R143-V147 CarbonylContact C-O 3.5Å; R143-V147 WeakPolarHBondContact CA-O 3.25Å; Q144-V147 PolarHBondContact N-O 2.89Å; Q144-V147 PolarHBondContact O-N 3.24Å; V147-L149 PolarHBondContact O-N 2.88Å
148S97.1Very high96.1Very high61 Ų6165.5 Ų65.543%0.42736%0.357SS..EExtended strand (participates in β ladder)trans-60.6132177.5-60.70000111.9R143R143-S148 PolarHBondContact NE-OG 2.97Å
149L96.1Very high96.1Very high35 Ų3565.4 Ų65.418%0.18336%0.358CS..PPolyproline II helixtrans-67.6155.8174-64.7-174.9000111W142 Q144 V147 Q154 T173 F183W142-L149 HydrophobicContact CB-CD1 3.67Å; W142-L149 HydrophobicContact CB-CG 4.17Å; W142-L149 PolarHBondContact O-N 3.13Å; Q144-L149 HydrophobicContact CB-CD2 3.91Å; V147-L149 PolarHBondContact O-N 2.88Å; L149-Q154 HydrophobicContact CB-CG 4.08Å; L149-Q154 HydrophobicContact CD1-CG 4.38Å; L149-Q154 PolarHBondContact O-NE2 2.8Å; L149-T173 HydrophobicContact CD1-CG2 3.93Å; L149-F183 HydrophobicContact CD1-CD1 4.46Å; L149-F183 HydrophobicContact CD1-CE1 4.12Å; L149-F183 HydrophobicContact CD2-CE1 4.48Å
150S93.7Very high96.1Very high62 Ų6265.8 Ų65.843%0.43436%0.36SS..PPolyproline II helixtrans-64.9158.7173.666.40000111D152 T153 Q154S150-D152 VanDerWaalsContact C-N 3.3Å; S150-D152 PolarHBondContact O-N 2.8Å; S150-T153 PolarHBondContact O-N 2.92Å; S150-T153 PolarHBondContact O-OG1 3.16Å; S150-T153 WeakPolarHBondContact OG-CG2 3.43Å; S150-T153 PolarHBondContact OG-OG1 3.42Å; S150-T153 VanDerWaalsContact OG-OG1 3.07Å; S150-Q154 PolarHBondContact O-NE2 3.03Å; S150-Q154 VanDerWaalsContact O-NE2 3.12Å
151H91Very high96.1Very high130 Ų13070.1 Ų70.160%0.60239%0.389SS*.G310 helixtrans-61-39.8177.2-174.8-86.2000111.8T153 Q154 W156H151-T153 VanDerWaalsContact C-N 3.28Å; H151-T153 PolarHBondContact O-N 2.89Å; H151-Q154 PolarHBondContact O-N 2.96Å; H151-Q154 VanDerWaalsContact O-N 3.15Å; H151-Q154 VanDerWaalsContact O-O 3.11Å; H151-W156 AromaticContact CD2-NE1 3.77Å; H151-W156 AromaticContact NE2-CD1 3.93Å; H151-W156 AromaticContact NE2-NE1 3.89Å
152D92.4Very high95.6Very high152 Ų15271.5 Ų71.581%0.81340%0.396SS*.G310 helixtrans-69.9-20.4-175.1-57.1-29.4000114.4S150 Q154S150-D152 VanDerWaalsContact C-N 3.3Å; S150-D152 PolarHBondContact O-N 2.8Å; D152-Q154 VanDerWaalsContact C-N 3.28Å
153T92.9Very high94.9Very high74 Ų7475.2 Ų75.245%0.45443%0.434SS..G310 helixtrans-88.60.1177.554.60000112.6S150 H151 T173S150-T153 PolarHBondContact O-N 2.92Å; S150-T153 PolarHBondContact O-OG1 3.16Å; S150-T153 WeakPolarHBondContact OG-CG2 3.43Å; S150-T153 PolarHBondContact OG-OG1 3.42Å; S150-T153 VanDerWaalsContact OG-OG1 3.07Å; H151-T153 VanDerWaalsContact C-N 3.28Å; H151-T153 PolarHBondContact O-N 2.89Å; T153-T173 PolarHBondContact O-OG1 3.45Å
154Q96.6Very high94.4Very high12 Ų1276.8 Ų76.86%0.05645%0.447CS..  trans-123.9147.5-175.2-64.3-178.290.300111.1T141 L149 S150 H151 D152 W156 V171 A172T141-Q154 PolarHBondContact OG1-NE2 3.04Å; T141-Q154 PolarHBondContact OG1-OE1 2.84Å; L149-Q154 HydrophobicContact CB-CG 4.08Å; L149-Q154 HydrophobicContact CD1-CG 4.38Å; L149-Q154 PolarHBondContact O-NE2 2.8Å; S150-Q154 PolarHBondContact O-NE2 3.03Å; S150-Q154 VanDerWaalsContact O-NE2 3.12Å; H151-Q154 PolarHBondContact O-N 2.96Å; H151-Q154 VanDerWaalsContact O-N 3.15Å; H151-Q154 VanDerWaalsContact O-O 3.11Å; D152-Q154 VanDerWaalsContact C-N 3.28Å; Q154-W156 HydrophobicContact CB-CZ2 4.44Å; Q154-V171 HydrophobicContact CB-CG2 4.02Å; Q154-V171 HydrophobicContact CG-CG2 4.43Å; Q154-A172 CarbonylContact C-O 3.56Å; Q154-A172 WeakPolarHBondContact CA-O 3.39Å
155Q97Very high94Very high105 Ų10576 Ų7649%0.49146%0.455SS..EExtended strand (participates in β ladder)trans-110.4133.8173.5-64.6173.830.200108.7W170 V171 A172Q155-W170 HydrophobicContact CB-CH2 4.35Å; Q155-W170 HydrophobicContact CB-CZ3 4.06Å; Q155-W170 WeakPolarHBondContact O-CZ3 3.07Å; Q155-V171 CarbonylContact O-C 3.57Å; Q155-V171 VanDerWaalsContact O-CA 3.3Å; Q155-V171 WeakPolarHBondContact O-CA 3.43Å; Q155-A172 PolarHBondContact N-O 2.86Å; Q155-A172 PolarHBondContact O-N 3.42Å
156W97.3Very high93.9Very high99 Ų9971.6 Ų71.638%0.37543%0.432SS..EExtended strand (participates in β ladder)trans-121.5136.2-171.3-6180000110.5L140 H151 Q154 V171L140-W156 WeakPolarHBondContact O-CH2 3.46Å; L140-W156 WeakPolarHBondContact O-CZ3 3.34Å; H151-W156 AromaticContact CD2-NE1 3.77Å; H151-W156 AromaticContact NE2-CD1 3.93Å; H151-W156 AromaticContact NE2-NE1 3.89Å; Q154-W156 HydrophobicContact CB-CZ2 4.44Å; W156-V171 HydrophobicContact CD2-CB 4.32Å; W156-V171 HydrophobicContact CD2-CG2 3.74Å; W156-V171 HydrophobicContact CE3-CB 4.11Å; W156-V171 HydrophobicContact CE3-CG2 3.96Å; W156-V171 HydrophobicContact CG-CG2 4.34Å; W156-V171 HydrophobicContact CH2-CG2 4.12Å; W156-V171 HydrophobicContact CZ2-CG2 3.86Å; W156-V171 HydrophobicContact CZ3-CB 4.31Å; W156-V171 HydrophobicContact CZ3-CG2 4.17Å
157G96.6Very high94.1Very high12 Ų1272 Ų7212%0.12442%0.419CS..  trans-88.9142.3165.400000111T169 W170G157-T169 PolarHBondContact O-OG1 3.02Å; G157-W170 PolarHBondContact N-O 2.89Å
158D96.6Very high94.1Very high130 Ų13069.3 Ų69.370%0.69540%0.4SS*.  trans-53.8151.6169.2-70.3-44.3000111.4L160D158-L160 HydrophobicContact CB-CD2 3.94Å; D158-L160 HydrophobicContact CB-CG 4.23Å; D158-L160 PolarHBondContact O-N 3.45Å; D158-L160 VanDerWaalsContact O-N 3.16Å
159V97.3Very high94.1Very high29 Ų2966.8 Ų66.818%0.17638%0.382CS..  trans-78.8100170.9-176.70000108.5F133 R136 Y167 Q168 T169F133-V159 HydrophobicContact CE2-CG1 4.3Å; F133-V159 HydrophobicContact CZ-CG1 3.99Å; R136-V159 HydrophobicContact CG-CB 4.47Å; R136-V159 HydrophobicContact CG-CG1 3.66Å; R136-V159 PolarHBondContact NH2-O 2.97Å; V159-Y167 HydrophobicContact CG1-CD1 4.06Å; V159-Y167 HydrophobicContact CG1-CG 4.15Å; V159-Q168 WeakPolarHBondContact CA-O 3.24Å; V159-T169 HydrophobicContact CG2-CG2 4.4Å
160L97.1Very high94.2Very high92 Ų9269 Ų6948%0.48239%0.387SS..EExtended strand (participates in β ladder)trans-100.4147.8-174.7-61.3177.9000111.3D158 Y167 Q168D158-L160 HydrophobicContact CB-CD2 3.94Å; D158-L160 HydrophobicContact CB-CG 4.23Å; D158-L160 PolarHBondContact O-N 3.45Å; D158-L160 VanDerWaalsContact O-N 3.16Å; L160-Y167 CarbonylContact O-C 3.5Å; L160-Y167 VanDerWaalsContact O-CA 3.27Å; L160-Y167 WeakPolarHBondContact O-CA 3.44Å; L160-Q168 HydrophobicContact CB-CG 4.21Å; L160-Q168 PolarHBondContact N-O 3.15Å; L160-Q168 PolarHBondContact O-N 3.15Å
161P95.7Very high94.5Very high94 Ų9466 Ų6661%0.6137%0.367SS*.EExtended strand (participates in β ladder)trans-73.9140174.230.3-33.5000112.1G163P161-G163 VanDerWaalsContact C-N 3.33Å
162D88.6Confident94.8Very high45 Ų4560 Ų6024%0.24134%0.339CS..  trans-84.7-2.3176.2-81.1-12.8000113.5S132 N164 T166 Q168S132-D162 WeakPolarHBondContact CA-OD2 3.45Å; S132-D162 PolarHBondContact N-OD2 2.86Å; D162-N164 VanDerWaalsContact C-N 3.25Å; D162-N164 PolarHBondContact O-N 3.08Å; D162-T166 PolarHBondContact N-O 3.39Å; D162-T166 PolarHBondContact OD2-OG1 3.01Å; D162-Q168 VanDerWaalsContact OD1-CB 3.29Å; D162-Q168 WeakPolarHBondContact OD1-CB 3.38Å; D162-Q168 WeakPolarHBondContact OD1-CG 3.38Å; D162-Q168 PolarHBondContact OD1-NE2 3Å
163G82.9Confident95Very high78 Ų7853.1 Ų53.180%0.80430%0.303SS*.SBendtrans81.9-13.8179.500000115.6P161P161-G163 VanDerWaalsContact C-N 3.33Å
164N89.1Confident95.1Very high95 Ų9557.3 Ų57.351%0.50831%0.311SS..SBendtrans-102.218.7175.1652.1000113.1D162 T166D162-N164 VanDerWaalsContact C-N 3.25Å; D162-N164 PolarHBondContact O-N 3.08Å; N164-T166 WeakPolarHBondContact OD1-CB 3.36Å; N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 VanDerWaalsContact OD1-N 3.12Å; N164-T166 PolarHBondContact OD1-OG1 3.45Å
165G88.2Confident94.9Very high44 Ų4457 Ų5745%0.45431%0.309SS..SBendtrans76.420.3-175.500000114.7R106 Y134R106-G165 PolarHBondContact NH1-O 3.11Å; Y134-G165 WeakPolarHBondContact CD2-O 3.44Å
166T94.7Very high94.7Very high4 Ų455 Ų553%0.02531%0.306CS..  trans-120.6178.5169.465.90000110.8V108 S132 F133 D162 N164V108-T166 HydrophobicContact CB-CG2 4.48Å; V108-T166 HydrophobicContact CG2-CG2 4.39Å; S132-T166 WeakPolarHBondContact CA-OG1 3.43Å; F133-T166 CarbonylContact O-C 3.55Å; F133-T166 WeakPolarHBondContact O-CA 3.34Å; F133-T166 WeakPolarHBondContact O-CB 3.22Å; D162-T166 PolarHBondContact N-O 3.39Å; D162-T166 PolarHBondContact OD2-OG1 3.01Å; N164-T166 WeakPolarHBondContact OD1-CB 3.36Å; N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 VanDerWaalsContact OD1-N 3.12Å; N164-T166 PolarHBondContact OD1-OG1 3.45Å
167Y97.2Very high94.3Very high56 Ų5656.9 Ų56.922%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-126.7159.8-175.3-58-86.2000112.5S131 S132 F133 Y134 R136 V159 L160S131-Y167 CarbonylContact C-O 3.47Å; S132-Y167 PolarHBondContact N-O 3.37Å; F133-Y167 WeakPolarHBondContact CD1-O 3.41Å; F133-Y167 WeakPolarHBondContact CE1-O 3.4Å; F133-Y167 HydrophobicContact CE2-CG 4.49Å; F133-Y167 PolarHBondContact N-O 3.29Å; F133-Y167 WeakPolarHBondContact O-CD2 3.38Å; F133-Y167 PolarHBondContact O-N 3.06Å; Y134-Y167 HydrophobicContact CD2-CD2 4.43Å; Y134-Y167 AromaticContact CD2-CE2 3.83Å; Y134-Y167 HydrophobicContact CD2-CE2 3.83Å; Y134-Y167 HydrophobicContact CE2-CE2 4.26Å; R136-Y167 HydrophobicContact CB-CD1 4.36Å; R136-Y167 HydrophobicContact CB-CD2 3.92Å; R136-Y167 HydrophobicContact CB-CE1 4.06Å; R136-Y167 HydrophobicContact CB-CE2 3.6Å; R136-Y167 HydrophobicContact CB-CG 4.3Å; R136-Y167 HydrophobicContact CG-CD1 3.86Å; R136-Y167 HydrophobicContact CG-CD2 4.26Å; R136-Y167 HydrophobicContact CG-CE1 3.74Å; R136-Y167 HydrophobicContact CG-CE2 4.17Å; R136-Y167 HydrophobicContact CG-CG 4.12Å; V159-Y167 HydrophobicContact CG1-CD1 4.06Å; V159-Y167 HydrophobicContact CG1-CG 4.15Å; L160-Y167 CarbonylContact O-C 3.5Å; L160-Y167 VanDerWaalsContact O-CA 3.27Å; L160-Y167 WeakPolarHBondContact O-CA 3.44Å
168Q97.6Very high93.9Very high47 Ų4759.3 Ų59.322%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-132.6150.6170.364.4179.6-71.400111.4A130 V159 L160 D162A130-Q168 CarbonylContact O-C 3.54Å; A130-Q168 VanDerWaalsContact O-CA 3.28Å; A130-Q168 WeakPolarHBondContact O-CA 3.21Å; V159-Q168 WeakPolarHBondContact CA-O 3.24Å; L160-Q168 HydrophobicContact CB-CG 4.21Å; L160-Q168 PolarHBondContact N-O 3.15Å; L160-Q168 PolarHBondContact O-N 3.15Å; D162-Q168 VanDerWaalsContact OD1-CB 3.29Å; D162-Q168 WeakPolarHBondContact OD1-CB 3.38Å; D162-Q168 WeakPolarHBondContact OD1-CG 3.38Å; D162-Q168 PolarHBondContact OD1-NE2 3Å
169T98.3Very high93.7Very high8 Ų856 Ų565%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-156.7171.4171.2-174.70000109.8A130 F133 I138 L140 G157 V159A130-T169 HydrophobicContact CB-CG2 4.34Å; A130-T169 PolarHBondContact N-O 3.07Å; A130-T169 PolarHBondContact O-N 3.46Å; F133-T169 HydrophobicContact CE1-CG2 4.02Å; F133-T169 HydrophobicContact CZ-CG2 3.92Å; I138-T169 HydrophobicContact CG2-CG2 3.84Å; L140-T169 HydrophobicContact CD2-CG2 4.27Å; G157-T169 PolarHBondContact O-OG1 3.02Å; V159-T169 HydrophobicContact CG2-CG2 4.4Å
170W98.3Very high93.4Very high80 Ų8055.9 Ų55.930%0.30332%0.316SS..EExtended strand (participates in β ladder)trans-152.3155.617659.2-88.9000111.4T127 C128 R129 Q155 G157 A172T127-W170 HydrophobicContact CG2-CB 4.22Å; T127-W170 HydrophobicContact CG2-CE3 4.14Å; C128-W170 CarbonylContact O-C 3.54Å; C128-W170 WeakPolarHBondContact O-CA 3.37Å; C128-W170 WeakPolarHBondContact O-CB 3.22Å; R129-W170 HydrophobicContact CB-CB 4.17Å; R129-W170 HydrophobicContact CG-CB 4.32Å; Q155-W170 HydrophobicContact CB-CH2 4.35Å; Q155-W170 HydrophobicContact CB-CZ3 4.06Å; Q155-W170 WeakPolarHBondContact O-CZ3 3.07Å; G157-W170 PolarHBondContact N-O 2.89Å; W170-A172 HydrophobicContact CE3-CB 4.01Å; W170-A172 HydrophobicContact CZ3-CB 3.77Å
171V98.4Very high93.2Very high0 Ų058 Ų580%032%0.324CS..EExtended strand (participates in β ladder)trans-132.4135.8171.3680000109.6C128 L140 W142 Q154 Q155 W156C128-V171 HydrophobicContact CB-CG1 4.03Å; C128-V171 PolarHBondContact N-O 3.06Å; C128-V171 PolarHBondContact O-N 3.38Å; L140-V171 HydrophobicContact CB-CG1 4.41Å; L140-V171 HydrophobicContact CD2-CB 4.4Å; L140-V171 HydrophobicContact CD2-CG1 3.89Å; L140-V171 HydrophobicContact CG-CG1 3.73Å; W142-V171 PolarHBondContact NE1-O 3.37Å; W142-V171 VanDerWaalsContact NE1-O 3.08Å; Q154-V171 HydrophobicContact CB-CG2 4.02Å; Q154-V171 HydrophobicContact CG-CG2 4.43Å; Q155-V171 CarbonylContact O-C 3.57Å; Q155-V171 VanDerWaalsContact O-CA 3.3Å; Q155-V171 WeakPolarHBondContact O-CA 3.43Å; W156-V171 HydrophobicContact CD2-CB 4.32Å; W156-V171 HydrophobicContact CD2-CG2 3.74Å; W156-V171 HydrophobicContact CE3-CB 4.11Å; W156-V171 HydrophobicContact CE3-CG2 3.96Å; W156-V171 HydrophobicContact CG-CG2 4.34Å; W156-V171 HydrophobicContact CH2-CG2 4.12Å; W156-V171 HydrophobicContact CZ2-CG2 3.86Å; W156-V171 HydrophobicContact CZ3-CB 4.31Å; W156-V171 HydrophobicContact CZ3-CG2 4.17Å
172A97.6Very high93.2Very high3 Ų358.1 Ų58.13%0.02531%0.312CS..EExtended strand (participates in β ladder)trans-130.1150.5-179.200000112T125 V126 T127 Q154 Q155 W170T125-A172 HydrophobicContact CG2-CB 4.15Å; V126-A172 CarbonylContact O-C 3.58Å; V126-A172 WeakPolarHBondContact O-CA 3.44Å; V126-A172 WeakPolarHBondContact O-CB 3.17Å; T127-A172 HydrophobicContact CG2-CB 4.24Å; Q154-A172 CarbonylContact C-O 3.56Å; Q154-A172 WeakPolarHBondContact CA-O 3.39Å; Q155-A172 PolarHBondContact N-O 2.86Å; Q155-A172 PolarHBondContact O-N 3.42Å; W170-A172 HydrophobicContact CE3-CB 4.01Å; W170-A172 HydrophobicContact CZ3-CB 3.77Å
173T96.6Very high93.6Very high9 Ų956.4 Ų56.46%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-145.8159.5171.1-168.70000110.5T125 V126 W142 L149 T153 I175T125-T173 WeakPolarHBondContact CA-O 3.41Å; V126-T173 HydrophobicContact CG2-CG2 3.72Å; V126-T173 PolarHBondContact N-O 2.87Å; V126-T173 PolarHBondContact O-N 3.05Å; W142-T173 HydrophobicContact CB-CG2 4.04Å; W142-T173 HydrophobicContact CD2-CG2 3.99Å; W142-T173 HydrophobicContact CG-CG2 3.62Å; L149-T173 HydrophobicContact CD1-CG2 3.93Å; T153-T173 PolarHBondContact O-OG1 3.45Å; T173-I175 HydrophobicContact CG2-CG2 4.03Å
174R94.9Very high94.3Very high162 Ų16254.1 Ų54.161%0.61127%0.273SS*.EExtended strand (participates in β ladder)trans-98.3132.8176.6-72.5-178.8179.8161.80109.1I124I124-R174 WeakPolarHBondContact O-CA 3.4Å
175I93.7Very high94.8Very high5 Ų549.6 Ų49.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-133.7155.8179.767.1174.9000110.5N123 I124 V126 T173 E180 F183N123-I175 WeakPolarHBondContact CA-O 3.24Å; I124-I175 HydrophobicContact CD1-CD1 4.11Å; I124-I175 HydrophobicContact CD1-CG1 4.04Å; I124-I175 HydrophobicContact CG1-CD1 4.2Å; I124-I175 HydrophobicContact CG1-CG1 3.56Å; I124-I175 PolarHBondContact N-O 3.34Å; I124-I175 PolarHBondContact O-N 2.82Å; V126-I175 HydrophobicContact CG1-CD1 3.69Å; V126-I175 HydrophobicContact CG1-CG1 4.15Å; V126-I175 HydrophobicContact CG2-CD1 4.19Å; V126-I175 HydrophobicContact CG2-CG1 4.44Å; V126-I175 HydrophobicContact CG2-CG2 4.28Å; T173-I175 HydrophobicContact CG2-CG2 4.03Å; I175-E180 HydrophobicContact CD1-CG 4.33Å; I175-F183 HydrophobicContact CB-CD2 4.17Å; I175-F183 HydrophobicContact CB-CE2 3.88Å; I175-F183 HydrophobicContact CB-CZ 4.11Å; I175-F183 HydrophobicContact CD1-CB 4.38Å; I175-F183 HydrophobicContact CD1-CD2 3.8Å; I175-F183 HydrophobicContact CD1-CE2 4.35Å; I175-F183 HydrophobicContact CD1-CG 4.16Å; I175-F183 HydrophobicContact CG2-CD1 3.73Å; I175-F183 HydrophobicContact CG2-CD2 3.81Å; I175-F183 HydrophobicContact CG2-CE1 3.51Å; I175-F183 HydrophobicContact CG2-CE2 3.62Å; I175-F183 HydrophobicContact CG2-CG 3.87Å; I175-F183 HydrophobicContact CG2-CZ 3.46Å; I175-F183 VanDerWaalsContact CG2-CZ 3.46Å
176C91.5Very high95.2Very high62 Ų6248.9 Ų48.942%0.41923%0.232SC..EExtended strand (participates in β ladder)trans-68.4136.6172.7-66.30000110G178 E179C176-G178 PolarHBondContact O-N 3.12Å; C176-E179 HydrophobicContact CB-CG 4.1Å; C176-E179 PolarHBondContact O-N 2.84Å
177R89.5Confident95.4Very high139 Ų13949 Ų4953%0.52523%0.232SC..THydrogen-bonded Turntrans-61.3134.7172.7-172.4-174.6-71.2-178.5-2.4109.8E118 G122E118-R177 IonicContact OE1-CZ 3.72Å; E118-R177 IonicContact OE1-NH2 2.92Å; E118-R177 PolarHBondContact OE1-NH2 2.83Å; E118-R177 IonicContact OE2-CZ 3.59Å; E118-R177 IonicContact OE2-NH2 2.63Å; E118-R177 PolarHBondContact OE2-NH2 3.34Å; G122-R177 WeakPolarHBondContact O-CB 2.91Å; G122-R177 PolarHBondContact O-N 2.93Å
178G88.3Confident95.4Very high64 Ų6449.2 Ų49.266%0.6624%0.236SC*.THydrogen-bonded Turntrans98.5-15.1-174.600000114.1C176 E180C176-G178 PolarHBondContact O-N 3.12Å; G178-E180 WeakPolarHBondContact CA-OE2 3.31Å; G178-E180 PolarHBondContact N-OE1 3.01Å; G178-E180 PolarHBondContact N-OE2 3.44Å
179E92.1Very high95.3Very high60 Ų6047.2 Ų47.228%0.2823%0.226SC..  trans-95.86.8177-60.3-159.2121.900113.5C176 Q181 R182 F183C176-E179 HydrophobicContact CB-CG 4.1Å; C176-E179 PolarHBondContact O-N 2.84Å; E179-Q181 PolarHBondContact O-N 3.18Å; E179-R182 WeakPolarHBondContact O-CB 3.41Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE1-CZ 3.38Å; E179-R182 IonicContact OE1-NH1 3.39Å; E179-R182 PolarHBondContact OE1-NH1 2.93Å; E179-F183 HydrophobicContact CB-CE2 4.09Å; E179-F183 WeakPolarHBondContact O-CD2 3.5Å
180E92.1Very high95Very high27 Ų2749.9 Ų49.913%0.12625%0.245CC..G310 helixtrans-52.7-38.1-171.3-65.789.6164.700113.4I124 I175 G178 R182 F183 V198I124-E180 HydrophobicContact CD1-CG 3.69Å; I175-E180 HydrophobicContact CD1-CG 4.33Å; G178-E180 WeakPolarHBondContact CA-OE2 3.31Å; G178-E180 PolarHBondContact N-OE1 3.01Å; G178-E180 PolarHBondContact N-OE2 3.44Å; E180-R182 PolarHBondContact O-N 3.24Å; E180-F183 PolarHBondContact O-N 3.3Å; E180-F183 VanDerWaalsContact O-N 3.11Å; E180-V198 HydrophobicContact CB-CB 4.04Å; E180-V198 HydrophobicContact CB-CG1 3.83Å; E180-V198 HydrophobicContact CG-CG1 3.92Å
181Q92.8Very high94.6Very high136 Ų13649 Ų4964%0.63626%0.26SS*.G310 helixtrans-67.3-19.9-178.7-67.2-64.2-2700113.8E179 F183 S200E179-Q181 PolarHBondContact O-N 3.18Å; Q181-F183 VanDerWaalsContact C-N 3.29Å; Q181-S200 PolarHBondContact NE2-OG 3.44Å
182R95.6Very high94.4Very high96 Ų9653.4 Ų53.436%0.36228%0.284SS..G310 helixtrans-79.1-17.2176.1-59.7179.366.6-174.32.9111.9Q144 D145 E179 E180Q144-R182 CarbonylContact C-O 3.54Å; Q144-R182 WeakPolarHBondContact CA-O 3.17Å; Q144-R182 HydrophobicContact CG-CB 4.47Å; D145-R182 PolarHBondContact N-O 2.89Å; D145-R182 WeakPolarHBondContact OD1-CB 3.42Å; D145-R182 WeakPolarHBondContact OD1-CG 3.16Å; D145-R182 IonicContact OD1-NE 3.86Å; D145-R182 PolarHBondContact OD1-NE 3.17Å; D145-R182 IonicContact OD2-CZ 2.97Å; D145-R182 VanDerWaalsContact OD2-CZ 3.25Å; D145-R182 IonicContact OD2-NE 3.74Å; D145-R182 PolarHBondContact OD2-NE 3.41Å; D145-R182 IonicContact OD2-NH2 2.79Å; D145-R182 PolarHBondContact OD2-NH2 3.29Å; E179-R182 WeakPolarHBondContact O-CB 3.41Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE1-CZ 3.38Å; E179-R182 IonicContact OE1-NH1 3.39Å; E179-R182 PolarHBondContact OE1-NH1 2.93Å; E180-R182 PolarHBondContact O-N 3.24Å
183F96.6Very high94.4Very high9 Ų958.1 Ų58.14%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-105.7135.3-173.5-69.1-92.3000112.2W142 R143 Q144 L149 I175 E179 E180 Q181 V198W142-F183 HydrophobicContact CE3-CB 4.15Å; W142-F183 HydrophobicContact CZ3-CB 4.16Å; R143-F183 WeakPolarHBondContact O-CA 3.43Å; Q144-F183 HydrophobicContact CB-CD1 4.1Å; Q144-F183 HydrophobicContact CB-CE1 3.71Å; Q144-F183 HydrophobicContact CB-CZ 4.12Å; Q144-F183 HydrophobicContact CG-CE1 3.95Å; Q144-F183 HydrophobicContact CG-CE2 4.26Å; Q144-F183 HydrophobicContact CG-CZ 3.81Å; L149-F183 HydrophobicContact CD1-CD1 4.46Å; L149-F183 HydrophobicContact CD1-CE1 4.12Å; L149-F183 HydrophobicContact CD2-CE1 4.48Å; I175-F183 HydrophobicContact CB-CD2 4.17Å; I175-F183 HydrophobicContact CB-CE2 3.88Å; I175-F183 HydrophobicContact CB-CZ 4.11Å; I175-F183 HydrophobicContact CD1-CB 4.38Å; I175-F183 HydrophobicContact CD1-CD2 3.8Å; I175-F183 HydrophobicContact CD1-CE2 4.35Å; I175-F183 HydrophobicContact CD1-CG 4.16Å; I175-F183 HydrophobicContact CG2-CD1 3.73Å; I175-F183 HydrophobicContact CG2-CD2 3.81Å; I175-F183 HydrophobicContact CG2-CE1 3.51Å; I175-F183 HydrophobicContact CG2-CE2 3.62Å; I175-F183 HydrophobicContact CG2-CG 3.87Å; I175-F183 HydrophobicContact CG2-CZ 3.46Å; I175-F183 VanDerWaalsContact CG2-CZ 3.46Å; E179-F183 HydrophobicContact CB-CE2 4.09Å; E179-F183 WeakPolarHBondContact O-CD2 3.5Å; E180-F183 PolarHBondContact O-N 3.3Å; E180-F183 VanDerWaalsContact O-N 3.11Å; Q181-F183 VanDerWaalsContact C-N 3.29Å; F183-V198 HydrophobicContact CB-CG2 3.92Å
184T97.9Very high94.4Very high30 Ų3059.1 Ų59.118%0.18431%0.313CS..EExtended strand (participates in β ladder)trans-138.7143.917555.40000110.5R143 T195R143-T184 PolarHBondContact N-O 3.23Å; R143-T184 PolarHBondContact O-N 3.25Å; T184-T195 VanDerWaalsContact CB-CG2 3.45Å; T184-T195 HydrophobicContact CG2-CG2 3.83Å
185C98.2Very high94.5Very high0 Ų055.3 Ų55.30%031%0.308CS..EExtended strand (participates in β ladder)trans-88.6116.7170.4175.80000109.3V114 C128 L140 W142 T195 H196V114-C185 HydrophobicContact CG2-CB 4.35Å; C128-C185 HydrophobicContact CB-CB 3.52Å; C128-C185 WeakPolarHBondContact CB-SG 3.37Å; C128-C185 WeakPolarHBondContact SG-CB 3.23Å; C128-C185 CovalentContact SG-SG 2.03Å; C128-C185 PolarHBondContact SG-SG 2.65Å; L140-C185 VanDerWaalsContact CD1-SG 3.54Å; W142-C185 HydrophobicContact CE3-CB 4.38Å; W142-C185 HydrophobicContact CH2-CB 4.25Å; W142-C185 HydrophobicContact CZ2-CB 4.45Å; W142-C185 HydrophobicContact CZ3-CB 4.21Å; C185-T195 CarbonylContact O-C 3.57Å; C185-T195 WeakPolarHBondContact O-CA 3.49Å; C185-H196 HydrophobicContact CB-CB 4.32Å; C185-H196 PolarHBondContact N-O 2.91Å; C185-H196 PolarHBondContact O-N 3.3Å
186Y98.2Very high94.7Very high30 Ų3057.4 Ų57.412%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-90131.5172174.3-95.4000109.9L140 T141 R143 E188 H193L140-Y186 CarbonylContact C-O 3.55Å; L140-Y186 WeakPolarHBondContact CA-O 3.46Å; T141-Y186 HydrophobicContact CG2-CD1 4.06Å; T141-Y186 PolarHBondContact N-O 3.36Å; T141-Y186 PolarHBondContact O-N 2.68Å; R143-Y186 VanDerWaalsContact CZ-CD2 3.41Å; R143-Y186 VanDerWaalsContact CZ-CG 3.49Å; R143-Y186 VanDerWaalsContact NH2-CD2 3.32Å; R143-Y186 VanDerWaalsContact NH2-CG 3.35Å; Y186-E188 HydrophobicContact CE1-CB 3.88Å; Y186-E188 PolarHBondContact OH-OE2 3.02Å; Y186-H193 HydrophobicContact CE2-CB 4.22Å; Y186-H193 PolarHBondContact OH-CD2 3.14Å
187M97.8Very high94.9Very high5 Ų558.5 Ų58.53%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-126.1133.4177.2-175.2-78.9-66.400109.9P110 V112 I138 I139 L140 H189 H193 S194P110-M187 HydrophobicContact CG-CE 3.46Å; P110-M187 VanDerWaalsContact CG-CE 3.46Å; P110-M187 HydrophobicContact CG-CG 4.21Å; P110-M187 HydrophobicContact CG-SD 3.58Å; P110-M187 VanDerWaalsContact CG-SD 3.58Å; V112-M187 HydrophobicContact CG2-CE 4.47Å; V112-M187 HydrophobicContact CG2-CG 4.3Å; I138-M187 HydrophobicContact CD1-CG 4.1Å; I138-M187 HydrophobicContact CD1-SD 4.38Å; I138-M187 HydrophobicContact CG1-CG 4.37Å; I139-M187 CarbonylContact O-C 3.59Å; I139-M187 WeakPolarHBondContact O-CA 3.48Å; L140-M187 HydrophobicContact CD1-CB 3.8Å; L140-M187 HydrophobicContact CD1-CG 3.86Å; M187-H189 HydrophobicContact SD-CB 3.47Å; M187-H189 WeakPolarHBondContact SD-CB 3.32Å; M187-H193 CarbonylContact O-C 3.59Å; M187-H193 WeakPolarHBondContact O-CA 3.24Å; M187-S194 WeakPolarHBondContact CE-OG 3.25Å; M187-S194 PolarHBondContact N-O 3.36Å; M187-S194 PolarHBondContact O-N 3.4Å
188E97.4Very high95.1Very high62 Ų6252 Ų5229%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-127.9125.3168.5165.1176168.900110.4I139 Y186 N192 H193I139-E188 HydrophobicContact CB-CB 4.14Å; I139-E188 HydrophobicContact CD1-CG 4.38Å; I139-E188 PolarHBondContact N-O 3.31Å; I139-E188 PolarHBondContact O-N 2.81Å; Y186-E188 HydrophobicContact CE1-CB 3.88Å; Y186-E188 PolarHBondContact OH-OE2 3.02Å; E188-N192 VanDerWaalsContact CA-O 3.31Å; E188-N192 WeakPolarHBondContact CA-O 3.4Å; E188-H193 VanDerWaalsContact CD-NE2 3.32Å; E188-H193 WeakPolarHBondContact CG-CD2 3.42Å; E188-H193 IonicContact OE1-NE2 3.92Å; E188-H193 IonicContact OE2-CD2 4Å; E188-H193 IonicContact OE2-NE2 3.5Å
189H95.8Very high95Very high5 Ų551.8 Ų51.82%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-146.3119.6-179.3-177.2-106.5000110.2V108 P110 F133 Y134 P135 N137 I138 M187 G191 N192V108-H189 PolarHBondContact O-CE1 3.29Å; P110-H189 HydrophobicContact CG-CB 4.18Å; F133-H189 AromaticContact CD2-CD2 3.93Å; F133-H189 AromaticContact CD2-NE2 3.63Å; Y134-H189 VanDerWaalsContact C-CE1 3.43Å; Y134-H189 PolarHBondContact O-CE1 3.33Å; P135-H189 PolarHBondContact O-NE2 3.45Å; N137-H189 PolarHBondContact O-CD2 3.44Å; I138-H189 HydrophobicContact CD1-CB 4.45Å; I138-H189 HydrophobicContact CG1-CB 4.23Å; M187-H189 HydrophobicContact SD-CB 3.47Å; M187-H189 WeakPolarHBondContact SD-CB 3.32Å; H189-G191 PolarHBondContact O-N 3.27Å; H189-N192 PolarHBondContact N-O 3.35Å; H189-N192 WeakPolarHBondContact O-CB 3.5Å; H189-N192 PolarHBondContact O-N 3.15Å
190S92Very high93.7Very high64 Ų6452.9 Ų52.945%0.44830%0.3SS..THydrogen-bonded Turntrans52.541.2179.1-58.60000113.7P135 N192P135-S190 WeakPolarHBondContact CD-OG 3.22Å; S190-N192 PolarHBondContact O-N 2.87Å
191G90.8Very high92.2Very high60 Ų6053.6 Ų53.662%0.61932%0.316SS*.THydrogen-bonded Turntrans76.1-0.4-178.700000115.4H189H189-G191 PolarHBondContact O-N 3.27Å
192N93.8Very high90.3Very high94 Ų9456.5 Ų56.550%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-90.9132.4171.3-172.323.8000110.3E188 H189 S190E188-N192 VanDerWaalsContact CA-O 3.31Å; E188-N192 WeakPolarHBondContact CA-O 3.4Å; H189-N192 PolarHBondContact N-O 3.35Å; H189-N192 WeakPolarHBondContact O-CB 3.5Å; H189-N192 PolarHBondContact O-N 3.15Å; S190-N192 PolarHBondContact O-N 2.87Å
193H96.6Very high88.1Confident102 Ų10253.6 Ų53.647%0.47232%0.319SS..EExtended strand (participates in β ladder)trans-115.8136.9-179.2-51.1142.1000110.3Y186 M187 E188Y186-H193 HydrophobicContact CE2-CB 4.22Å; Y186-H193 PolarHBondContact OH-CD2 3.14Å; M187-H193 CarbonylContact O-C 3.59Å; M187-H193 WeakPolarHBondContact O-CA 3.24Å; E188-H193 VanDerWaalsContact CD-NE2 3.32Å; E188-H193 WeakPolarHBondContact CG-CD2 3.42Å; E188-H193 IonicContact OE1-NE2 3.92Å; E188-H193 IonicContact OE2-CD2 4Å; E188-H193 IonicContact OE2-NE2 3.5Å
194S96.7Very high85.6Confident30 Ų3061 Ų6121%0.2136%0.358CS..EExtended strand (participates in β ladder)trans-147.2155.9175.3620000111.7M187 H196M187-S194 WeakPolarHBondContact CE-OG 3.25Å; M187-S194 PolarHBondContact N-O 3.36Å; M187-S194 PolarHBondContact O-N 3.4Å; S194-H196 PolarHBondContact OG-NE2 2.8Å; S194-H196 VanDerWaalsContact OG-NE2 3.09Å
195T97.3Very high82.9Confident81 Ų8164.2 Ų64.250%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-127.9126.6-177.9-58.80000108.8T184 C185T184-T195 VanDerWaalsContact CB-CG2 3.45Å; T184-T195 HydrophobicContact CG2-CG2 3.83Å; C185-T195 CarbonylContact O-C 3.57Å; C185-T195 WeakPolarHBondContact O-CA 3.49Å
196H97.1Very high80Confident50 Ų5072.1 Ų72.123%0.23142%0.419CS..EExtended strand (participates in β ladder)trans-116.8114.6-176.7-57.7-87.3000110.2V112 V114 C185 S194V112-H196 WeakPolarHBondContact CB-NE2 3.36Å; V112-H196 HydrophobicContact CG1-CB 4.38Å; V112-H196 VanDerWaalsContact CG1-CD2 3.47Å; V112-H196 WeakPolarHBondContact CG1-CD2 3.24Å; V114-H196 HydrophobicContact CG2-CB 3.71Å; C185-H196 HydrophobicContact CB-CB 4.32Å; C185-H196 PolarHBondContact N-O 2.91Å; C185-H196 PolarHBondContact O-N 3.3Å; S194-H196 PolarHBondContact OG-NE2 2.8Å; S194-H196 VanDerWaalsContact OG-NE2 3.09Å
197P96.3Very high76.6Confident84 Ų8477.4 Ų77.455%0.54544%0.444SS..EExtended strand (participates in β ladder)trans-72.9157.3-179.530.5-34.8000112
198V94.4Very high73.4Confident3 Ų381.2 Ų81.22%0.01847%0.471CS..PPolyproline II helixtrans-67.6125170.1-178.40000109.3V126 W142 E180 F183 S200V126-V198 HydrophobicContact CB-CG2 4.4Å; V126-V198 HydrophobicContact CG1-CG1 3.75Å; V126-V198 HydrophobicContact CG1-CG2 3.98Å; W142-V198 HydrophobicContact CH2-CG2 3.76Å; W142-V198 HydrophobicContact CZ3-CG2 3.55Å; E180-V198 HydrophobicContact CB-CB 4.04Å; E180-V198 HydrophobicContact CB-CG1 3.83Å; E180-V198 HydrophobicContact CG-CG1 3.92Å; F183-V198 HydrophobicContact CB-CG2 3.92Å; V198-S200 PolarHBondContact O-N 3.02Å
199P85.8Confident70.1Confident59 Ų5985.9 Ų85.938%0.38349%0.493SS..PPolyproline II helixtrans-64.8126.9-179.622.8-30.5000111.5G201P199-G201 PolarHBondContact O-N 2.99Å
200S65.8Low67Low83 Ų8395.9 Ų95.958%0.5853%0.53SS*.  trans-89.392.3173.8-68.70000110.2Q181 V198Q181-S200 PolarHBondContact NE2-OG 3.44Å; V198-S200 PolarHBondContact O-N 3.02Å
201G60.6Low64Low43 Ų43100.3 Ų100.344%0.44354%0.544SS..SBendtrans173.7146.7177.300000112.3R116 P199R116-G201 VanDerWaalsContact CZ-C 3.47Å; R116-G201 PolarHBondContact NE-O 3.46Å; R116-G201 PolarHBondContact NH1-O 3.35Å; R116-G201 PolarHBondContact NH2-O 3.11Å; P199-G201 PolarHBondContact O-N 2.99Å
202K51.5Low61.5Low197 Ų197102.9 Ų102.986%0.85755%0.548SS*.  trans-35.4140.8-169.2-69.4-177.4179.9179.90114.5L204K202-L204 PolarHBondContact O-N 2.97Å
203V49.7Very low58.7Low34 Ų34106.9 Ų106.921%0.20656%0.561CS.*  trans-52.9122.8-178-179.70000108.4E118 V205E118-V203 HydrophobicContact CG-CG1 4.47Å; E118-V203 HydrophobicContact CG-CG2 4.16Å; E118-V203 VanDerWaalsContact OE1-CG2 3.27Å; E118-V203 WeakPolarHBondContact OE1-CG2 3.08Å; V203-V205 HydrophobicContact CB-CG2 4.14Å; V203-V205 HydrophobicContact CG1-CG2 3.74Å; V203-V205 PolarHBondContact O-N 3.39Å
204L44.3Very low55.7Low166 Ų166110.4 Ų110.487%0.86958%0.577SS**  trans-70.882.1163-75.5169.1000106.4K202 L206K202-L204 PolarHBondContact O-N 2.97Å; L204-L206 PolarHBondContact O-N 3.48Å; L204-L206 VanDerWaalsContact O-N 3.1Å
205V40.8Very low53.1Low96 Ų96115.3 Ų115.358%0.58261%0.606SS**  trans-66.7108.7165.9-176.10000104.5V203 Q207V203-V205 HydrophobicContact CB-CG2 4.14Å; V203-V205 HydrophobicContact CG1-CG2 3.74Å; V203-V205 PolarHBondContact O-N 3.39Å; V205-Q207 HydrophobicContact CB-CG 4.22Å; V205-Q207 HydrophobicContact CG1-CG 3.58Å; V205-Q207 PolarHBondContact O-N 3.4Å
206L37.2Very low50.1Low167 Ų167116.7 Ų116.787%0.87462%0.619SS**  trans-69.680.5164.3-146.1123.6000105.6L204 S208L204-L206 PolarHBondContact O-N 3.48Å; L204-L206 VanDerWaalsContact O-N 3.1Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 2.94Å
207Q27.8Very low47.3Very low141 Ų141118.8 Ų118.866%0.65965%0.645SS**  trans-64.2101.2173.7-79.7-173.2-41.900106.1V205 H209V205-Q207 HydrophobicContact CB-CG 4.22Å; V205-Q207 HydrophobicContact CG1-CG 3.58Å; V205-Q207 PolarHBondContact O-N 3.4Å; Q207-H209 VanDerWaalsContact C-N 3.26Å; Q207-H209 PolarHBondContact O-N 3.49Å
208S31Very low44.6Very low84 Ų84121.8 Ų121.859%0.58766%0.661SS**  trans-62.799.7157.547.70000106.1L206 W210L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 2.94Å; S208-W210 PolarHBondContact O-N 3.45Å; S208-W210 PolarHBondContact OG-NE1 2.8Å
209H26.3Very low41.8Very low160 Ų160126.1 Ų126.174%0.74170%0.698SS**  trans-67.285.9169.8-89.3-78.7000108Q207 Q211Q207-H209 VanDerWaalsContact C-N 3.26Å; Q207-H209 PolarHBondContact O-N 3.49Å; H209-Q211 PolarHBondContact O-N 3.1Å
210W30.6Very low39.4Very low215 Ų215128.3 Ų128.381%0.81472%0.721SS**  trans-74.3105.3158.5-62.491.3000106.3S208 T212S208-W210 PolarHBondContact O-N 3.45Å; S208-W210 PolarHBondContact OG-NE1 2.8Å; W210-T212 PolarHBondContact O-N 3.34Å
211Q30.8Very low38.3Very low157 Ų157127.6 Ų127.673%0.73473%0.727SS**  trans-64.3101.5168.8-73175.7-7.500107.6H209 F213H209-Q211 PolarHBondContact O-N 3.1Å; Q211-F213 PolarHBondContact O-N 2.89Å; Q211-F213 VanDerWaalsContact O-N 3.11Å
212T37.3Very low37.1Very low114 Ų114132 Ų13270%0.69975%0.749SS**  trans-67.3104.1166.830.40000108.3W210 H214W210-T212 PolarHBondContact O-N 3.34Å; T212-H214 PolarHBondContact O-N 2.83Å
213F34.3Very low36.5Very low179 Ų179128.1 Ų128.179%0.78575%0.745SS**  trans-67.7107.8166-74.6-85.7000108.6Q211 V215Q211-F213 PolarHBondContact O-N 2.89Å; Q211-F213 VanDerWaalsContact O-N 3.11Å; F213-V215 PolarHBondContact O-N 3.07Å
214H33.5Very low35.8Very low175 Ų175136.9 Ų136.981%0.8178%0.776SS**  trans-72.2105.7168-78.1-75.3000108.9T212 S216T212-H214 PolarHBondContact O-N 2.83Å; H214-S216 PolarHBondContact O-N 3.1Å
215V42.3Very low35.5Very low133 Ų133137.1 Ų137.181%0.80677%0.771SS**  trans-79.6106.8161.5-178.10000106.7F213 A217F213-V215 PolarHBondContact O-N 3.07Å; V215-A217 PolarHBondContact O-N 2.87Å
216S35.5Very low35.1Very low111 Ų111137.2 Ų137.278%0.77677%0.774SS**  trans-69.795.2172.431.20000109.6H214 V218H214-S216 PolarHBondContact O-N 3.1Å; S216-V218 PolarHBondContact O-N 2.77Å
217A38.6Very low34.9Very low94 Ų94137.7 Ų137.778%0.77777%0.766SS**PPolyproline II helixtrans-75.7117.6163.700000108.7V215V215-A217 PolarHBondContact O-N 2.87Å
218V37.7Very low35.1Very low146 Ų146140.3 Ų140.389%0.88577%0.771SS**PPolyproline II helixtrans-64.7135176.3177.40000109.5S216S216-V218 PolarHBondContact O-N 2.77Å
219A35.6Very low35.1Very low95 Ų95145.7 Ų145.779%0.78578%0.78SS**PPolyproline II helixtrans-62.6142.5-168.100000115.1
220A37.2Very low35.4Very low105 Ų105147 Ų14787%0.86878%0.784SS**  trans-145.3104.3144.800000109.6
221G40.9Very low35.5Very low68 Ų68144.7 Ų144.770%0.70179%0.787SS**  trans81.3118.6144.900000118.9
222C35.5Very low35.4Very low134 Ų134143.1 Ų143.191%0.90579%0.791SS**  trans101.1116.2148.1-64.20000119
223C40.3Very low35.4Very low117 Ų117143.2 Ų143.279%0.79179%0.794SS**  trans-48.4143.2172.4-51.90000114.5
224Y34.1Very low35.3Very low218 Ų218143.1 Ų143.186%0.85580%0.801SS**  -174.3122.8108.2-114.3-93.2000109.5
225F38.6Very low35.6Very low171 Ų171146.6 Ų146.675%0.7582%0.824SS**  trans-77.8125.9165.3-92.1-91000108.5Y227F225-Y227 AromaticContact CD1-CD2 3.98Å; F225-Y227 HydrophobicContact CD1-CD2 3.98Å; F225-Y227 AromaticContact CD1-CE2 3.5Å; F225-Y227 HydrophobicContact CD1-CE2 3.5Å; F225-Y227 VanDerWaalsContact CD1-CE2 3.5Å; F225-Y227 AromaticContact CE1-CE2 3.73Å; F225-Y227 HydrophobicContact CE1-CE2 3.73Å
226C33.1Very low35.3Very low97 Ų97147.3 Ų147.366%0.65583%0.825SS**  trans-128.497.2163-82.70000109Y228C226-Y228 HydrophobicContact CB-CE2 4.44Å
227Y32Very low35.3Very low178 Ų178149.2 Ų149.270%0.69883%0.827SS**  trans-86.3113.1161-77.6-81.5000107.9F225F225-Y227 AromaticContact CD1-CD2 3.98Å; F225-Y227 HydrophobicContact CD1-CD2 3.98Å; F225-Y227 AromaticContact CD1-CE2 3.5Å; F225-Y227 HydrophobicContact CD1-CE2 3.5Å; F225-Y227 VanDerWaalsContact CD1-CE2 3.5Å; F225-Y227 AromaticContact CE1-CE2 3.73Å; F225-Y227 HydrophobicContact CE1-CE2 3.73Å
228Y32.7Very low35.1Very low195 Ų195152.2 Ų152.277%0.76583%0.83SS**  trans-86.7107.3165.2-83-83.7000108.8C226 F230C226-Y228 HydrophobicContact CB-CE2 4.44Å; Y228-F230 HydrophobicContact CD1-CE2 4.38Å
229Y31Very low34.9Very low197 Ų197152.6 Ų152.677%0.77383%0.827SS**  trans-81.5115.4161.7-74-88.9000108.1
230F31.1Very low34.9Very low188 Ų188156.2 Ų156.283%0.82583%0.829SS**  trans-100.4103.2160.7-90.5-84.1000108.5Y228Y228-F230 HydrophobicContact CD1-CE2 4.38Å
231L33.5Very low34.7Very low167 Ų167159.6 Ų159.687%0.87483%0.827SS**  trans-73.1131.2159.5-81.2141.7000107.8
232C29.1Very low34.3Very low123 Ų123166.1 Ų166.183%0.83184%0.836SS**  trans-128.7136164.3-144.90000109
233P36Very low34.2Very low116 Ų116168.6 Ų168.675%0.75383%0.83SS**  trans-84.2154.9-158.433.1-32.8000113.6
234L33.3Very low33.7Very low178 Ų178172.9 Ų172.993%0.93283%0.834SS**  trans-67.9129.7167.5-72.7155.8000110.2
235L39.3Very low33.6Very low247 Ų247168.8 Ų168.8100%1.29383%0.832SS**  trans-1400152.4-100.9161.2000108.1

Retrieved 235 of 235 residues in 1273 ms (Link to these results)

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