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2',3'-cyclic-nucleotide 3'-phosphodiesterase

Myelin-associated enzyme that catalyzes the phosphodiester hydrolysis of 2',3'-cyclic nucleotides to 2'-nucleotides. In the mitochondria, regulates the functioning of the mitochondrial permeability transition pore (mPTP), and thus is involved in the mechanisms of cell death, both apoptosis and necrosis. Acts as an antiviral factor by suppressing the assembly of SARS-CoV-2 virions.

AlphaFold DB , UniProt , Accession A0A5K4EZH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M92.6Very high96.3Very high12 Ų1210.5 Ų10.56%0.0597%0.073CC..  0119.50-175.3-179-72.600108.4I3 V62 V66 I73 I75 M91 A92 Y97 F98 V99 I100M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4.25Å; M1-I3 HydrophobicContact SD-CG1 4.14Å; M1-V62 HydrophobicContact CE-CG1 4.26Å; M1-V66 HydrophobicContact CE-CG1 3.76Å; M1-I73 CarbonylContact C-O 3.52Å; M1-I73 WeakPolarHBondContact CA-O 3.43Å; M1-I73 HydrophobicContact CE-CG2 4.3Å; M1-I73 HydrophobicContact CG-CB 4.44Å; M1-I73 HydrophobicContact CG-CG2 4.25Å; M1-I75 HydrophobicContact CG-CG1 4.18Å; M1-I75 HydrophobicContact SD-CG1 4.18Å; M1-M91 HydrophobicContact CE-CE 4.47Å; M1-A92 HydrophobicContact CE-CB 4.16Å; M1-A92 HydrophobicContact SD-CB 4Å; M1-Y97 HydrophobicContact CB-CD1 4.45Å; M1-F98 PolarHBondContact N-O 3.49Å; M1-V99 WeakPolarHBondContact O-CA 3.3Å; M1-I100 PolarHBondContact O-N 2.72Å
2F95.2Very high96.4Very high38 Ų3811.2 Ų11.217%0.1677%0.073CC..EExtended strand (participates in β ladder)trans-90.5122.2170.5-63.8-83.5000108I19 P72 I73 V74 I75 I100 V102F2-I19 HydrophobicContact CB-CD1 4.24Å; F2-I19 HydrophobicContact CD1-CD1 4.38Å; F2-I19 HydrophobicContact CD2-CG2 4.16Å; F2-I19 HydrophobicContact CE2-CG2 4.23Å; F2-I19 HydrophobicContact CG-CD1 4.13Å; F2-P72 HydrophobicContact CD2-CB 3.89Å; F2-P72 HydrophobicContact CE2-CB 3.63Å; F2-P72 HydrophobicContact CE2-CG 4.23Å; F2-I73 PolarHBondContact N-O 3.49Å; F2-V74 HydrophobicContact CB-CG1 4.35Å; F2-V74 HydrophobicContact CB-CG2 4.33Å; F2-V74 HydrophobicContact CD2-CG2 4.17Å; F2-V74 CarbonylContact O-C 3.56Å; F2-V74 WeakPolarHBondContact O-CA 3.25Å; F2-I75 PolarHBondContact O-N 3.13Å; F2-I100 WeakPolarHBondContact CA-O 3.45Å; F2-I100 HydrophobicContact CD1-CB 3.83Å; F2-I100 HydrophobicContact CD1-CD1 4.34Å; F2-I100 HydrophobicContact CD1-CG2 4.04Å; F2-I100 HydrophobicContact CE1-CB 4.04Å; F2-I100 HydrophobicContact CE1-CD1 3.68Å; F2-I100 HydrophobicContact CE1-CG1 4.4Å; F2-I100 HydrophobicContact CE1-CG2 4.15Å; F2-I100 HydrophobicContact CZ-CD1 4.22Å; F2-V102 HydrophobicContact CB-CG2 4.33Å; F2-V102 HydrophobicContact CD1-CG2 3.76Å
3I97Very high96.3Very high0 Ų015.5 Ų15.50%010%0.104CC..EExtended strand (participates in β ladder)trans-106.9106.1174.3-60.1176.5000106.4M1 R5 I75 N79 A85 T89 V99 I100 M101 V102M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4.25Å; M1-I3 HydrophobicContact SD-CG1 4.14Å; I3-R5 HydrophobicContact CG2-CG 4.42Å; I3-I75 HydrophobicContact CG1-CG1 4.27Å; I3-N79 HydrophobicContact CG2-CB 4.26Å; I3-N79 WeakPolarHBondContact CG2-ND2 3.07Å; I3-A85 HydrophobicContact CG2-CB 4.38Å; I3-T89 HydrophobicContact CD1-CG2 3.73Å; I3-V99 HydrophobicContact CD1-CG1 3.62Å; I3-V99 HydrophobicContact CD1-CG2 4.4Å; I3-V99 HydrophobicContact CG1-CG1 4.11Å; I3-I100 PolarHBondContact N-O 3.38Å; I3-M101 HydrophobicContact CB-SD 3.72Å; I3-M101 HydrophobicContact CD1-CE 4.01Å; I3-M101 HydrophobicContact CD1-SD 4.22Å; I3-M101 HydrophobicContact CG2-SD 3.87Å; I3-V102 PolarHBondContact O-N 2.75Å
4L97.7Very high96.3Very high1 Ų125.1 Ų25.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-73.1143.1176.6-54-165.9000109.1K12 L15 I19 V74 I75 D76 N77 N79 V102L4-K12 HydrophobicContact CB-CB 4.37Å; L4-K12 HydrophobicContact CB-CD 4.2Å; L4-K12 HydrophobicContact CB-CG 4.42Å; L4-K12 HydrophobicContact CD1-CB 4.03Å; L4-K12 VanDerWaalsContact CD1-O 3.28Å; L4-K12 WeakPolarHBondContact CD1-O 3.47Å; L4-L15 HydrophobicContact CD1-CB 4.5Å; L4-I19 HydrophobicContact CD2-CD1 4.18Å; L4-V74 HydrophobicContact CD1-CG1 4.21Å; L4-V74 HydrophobicContact CD2-CG1 4.36Å; L4-V74 HydrophobicContact CG-CG1 4.08Å; L4-I75 VanDerWaalsContact CB-O 3.31Å; L4-I75 WeakPolarHBondContact CB-O 3.39Å; L4-I75 WeakPolarHBondContact CG-O 3.37Å; L4-I75 PolarHBondContact N-O 3.26Å; L4-D76 HydrophobicContact CD1-CB 4.13Å; L4-N77 VanDerWaalsContact O-O 3.09Å; L4-N79 WeakPolarHBondContact O-CB 3.44Å; L4-N79 PolarHBondContact O-ND2 2.8Å; L4-V102 CarbonylContact C-O 3.43Å; L4-V102 WeakPolarHBondContact CA-O 3.42Å; L4-V102 HydrophobicContact CD2-CB 3.56Å; L4-V102 HydrophobicContact CD2-CG1 3.86Å; L4-V102 HydrophobicContact CD2-CG2 4.13Å
5R96.9Very high96.2Very high5 Ų526.6 Ų26.62%0.01915%0.151CC..  trans-137.8133.4179.9-56-170.562.5-137.4-6.3110.1I3 T78 N79 T80 M101 V102 I103 P104 F135 E136 I138I3-R5 HydrophobicContact CG2-CG 4.42Å; R5-T78 CarbonylContact C-O 3.57Å; R5-T78 WeakPolarHBondContact CA-O 3.48Å; R5-N79 HydrophobicContact CB-CB 4.44Å; R5-N79 HydrophobicContact CG-CB 3.85Å; R5-N79 PolarHBondContact NE-O 3.43Å; R5-N79 PolarHBondContact NH2-O 2.95Å; R5-T80 PolarHBondContact NH2-O 3.45Å; R5-M101 HydrophobicContact CG-SD 4.35Å; R5-V102 PolarHBondContact N-O 3.29Å; R5-I103 HydrophobicContact CB-CG1 4.08Å; R5-P104 WeakPolarHBondContact O-CD 3.4Å; R5-F135 HydrophobicContact CB-CE2 4.24Å; R5-F135 HydrophobicContact CB-CZ 4.28Å; R5-E136 PolarHBondContact NH1-O 2.87Å; R5-E136 PolarHBondContact NH2-O 3.34Å; R5-I138 VanDerWaalsContact NE-CD1 3.32Å
6G96.5Very high96.3Very high1 Ų125.3 Ų25.31%0.0114%0.143CC..  trans154.1153.1177.600000112.9K12 T78G6-K12 WeakPolarHBondContact O-CD 3.33Å; G6-K12 WeakPolarHBondContact O-CE 3.4Å; G6-K12 PolarHBondContact O-NZ 3.42Å; G6-T78 PolarHBondContact N-O 3.09Å; G6-T78 WeakPolarHBondContact O-CA 3.37Å
7P96.6Very high96.3Very high0 Ų027.3 Ų27.30%015%0.151CC..  trans-61.7162.6176.427.5-34.9000112S10 K12 R109 L115 K131 V132P7-S10 VanDerWaalsContact O-CB 3.29Å; P7-S10 WeakPolarHBondContact O-CB 3.2Å; P7-S10 PolarHBondContact O-N 2.8Å; P7-S10 PolarHBondContact O-OG 3.34Å; P7-K12 PolarHBondContact O-NZ 2.84Å; P7-K12 VanDerWaalsContact O-NZ 3.12Å; P7-R109 VanDerWaalsContact CG-O 3.31Å; P7-R109 WeakPolarHBondContact CG-O 3.4Å; P7-L115 HydrophobicContact CB-CD1 4.03Å; P7-L115 HydrophobicContact CG-CD1 3.43Å; P7-L115 VanDerWaalsContact CG-CD1 3.43Å; P7-L115 HydrophobicContact CG-CD2 4.13Å; P7-L115 HydrophobicContact CG-CG 4.42Å; P7-K131 HydrophobicContact CB-CB 4.29Å; P7-V132 HydrophobicContact CB-CG2 4.29Å; P7-V132 HydrophobicContact CG-CG2 4.03Å
8P96.8Very high96.4Very high17 Ų1728.4 Ų28.411%0.1116%0.161CC..THydrogen-bonded Turntrans-51.2142.2168.9-25.735.6000111.5S10 T78 L115 N119 V123 K131P8-S10 VanDerWaalsContact C-N 3.29Å; P8-S10 PolarHBondContact O-N 3.27Å; P8-T78 HydrophobicContact CG-CG2 4.27Å; P8-L115 WeakPolarHBondContact O-CD2 3.4Å; P8-N119 HydrophobicContact CB-CB 3.96Å; P8-V123 HydrophobicContact CB-CB 4.41Å; P8-V123 HydrophobicContact CB-CG2 4.19Å; P8-V123 HydrophobicContact CG-CB 4.35Å; P8-V123 HydrophobicContact CG-CG1 4.32Å; P8-V123 HydrophobicContact CG-CG2 4.05Å; P8-K131 HydrophobicContact CG-CD 4.29Å
9G96.5Very high96.3Very high19 Ų1928.1 Ų28.120%0.19616%0.158CC..THydrogen-bonded Turntrans80.6-6-177.800000116.1G11 W108G9-G11 VanDerWaalsContact C-N 3.27Å; G9-G11 PolarHBondContact O-N 3.22Å; G9-W108 PolarHBondContact O-NE1 3.21Å
10S97.1Very high96.2Very high1 Ų132.4 Ų32.41%0.00717%0.172CC..SBendtrans-72.7-14.2-178560000114.7P7 P8 P104 T106 L115P7-S10 VanDerWaalsContact O-CB 3.29Å; P7-S10 WeakPolarHBondContact O-CB 3.2Å; P7-S10 PolarHBondContact O-N 2.8Å; P7-S10 PolarHBondContact O-OG 3.34Å; P8-S10 VanDerWaalsContact C-N 3.29Å; P8-S10 PolarHBondContact O-N 3.27Å; S10-P104 WeakPolarHBondContact O-CB 3.27Å; S10-T106 WeakPolarHBondContact O-CG2 3.42Å; S10-T106 PolarHBondContact O-OG1 2.88Å; S10-L115 VanDerWaalsContact CA-CD2 3.44Å; S10-L115 VanDerWaalsContact N-CD2 3.26Å
11G96.5Very high96.3Very high22 Ų2236.5 Ų36.523%0.22719%0.193CC..SBendtrans101.918.4-178.700000115.1G9 F14 L15G9-G11 VanDerWaalsContact C-N 3.27Å; G9-G11 PolarHBondContact O-N 3.22Å; G11-F14 PolarHBondContact O-N 3.11Å; G11-L15 PolarHBondContact O-N 2.84Å; G11-L15 VanDerWaalsContact O-N 3.1Å
12K97.1Very high96.4Very high18 Ų1844.1 Ų44.18%0.07822%0.221CC..Hα-helixtrans-59.7-50.2177.6-59.4-172-57.2-64.80112.9L4 G6 P7 F14 L15 S16 D76 N77 P104L4-K12 HydrophobicContact CB-CB 4.37Å; L4-K12 HydrophobicContact CB-CD 4.2Å; L4-K12 HydrophobicContact CB-CG 4.42Å; L4-K12 HydrophobicContact CD1-CB 4.03Å; L4-K12 VanDerWaalsContact CD1-O 3.28Å; L4-K12 WeakPolarHBondContact CD1-O 3.47Å; G6-K12 WeakPolarHBondContact O-CD 3.33Å; G6-K12 WeakPolarHBondContact O-CE 3.4Å; G6-K12 PolarHBondContact O-NZ 3.42Å; P7-K12 PolarHBondContact O-NZ 2.84Å; P7-K12 VanDerWaalsContact O-NZ 3.12Å; K12-F14 VanDerWaalsContact C-N 3.27Å; K12-F14 PolarHBondContact O-N 2.94Å; K12-L15 CarbonylContact O-C 3.45Å; K12-L15 WeakPolarHBondContact O-CA 3.33Å; K12-L15 WeakPolarHBondContact O-CB 3.06Å; K12-L15 PolarHBondContact O-N 3.32Å; K12-S16 PolarHBondContact O-N 2.85Å; K12-D76 WeakPolarHBondContact CB-OD1 3.31Å; K12-N77 VanDerWaalsContact CD-O 3.27Å; K12-N77 WeakPolarHBondContact CD-O 3.04Å; K12-N77 VanDerWaalsContact CE-O 3.23Å; K12-N77 WeakPolarHBondContact CE-O 3.17Å; K12-P104 HydrophobicContact CB-CG 4.49Å; K12-P104 HydrophobicContact CG-CG 3.78Å
13S95.3Very high96.2Very high68 Ų6846.3 Ų46.348%0.47623%0.231SC..Hα-helixtrans-66.6-29.4-178.8-47.20000113.7L15 S16 E17 D76S13-L15 VanDerWaalsContact C-N 3.35Å; S13-S16 WeakPolarHBondContact CA-OG 2.92Å; S13-S16 PolarHBondContact O-OG 3.21Å; S13-E17 WeakPolarHBondContact O-CB 3.46Å; S13-E17 PolarHBondContact O-N 3.49Å; S13-D76 WeakPolarHBondContact CA-OD2 3.47Å; S13-D76 WeakPolarHBondContact CB-OD2 3.44Å; S13-D76 PolarHBondContact OG-OD2 3.15Å
14F95.9Very high96.1Very high150 Ų15051 Ų5166%0.65826%0.261SS*.Hα-helixtrans-64.2-40.9167.9176.7-96.8000111.7G11 K12 E17 C18G11-F14 PolarHBondContact O-N 3.11Å; K12-F14 VanDerWaalsContact C-N 3.27Å; K12-F14 PolarHBondContact O-N 2.94Å; F14-E17 PolarHBondContact O-N 3.24Å; F14-C18 VanDerWaalsContact CE1-SG 3.55Å; F14-C18 PolarHBondContact O-N 3.19Å; F14-C18 PolarHBondContact O-SG 2.87Å
15L96.1Very high95.7Very high47 Ų4757.4 Ų57.425%0.24629%0.292CS..Hα-helixtrans-69.6-39.7175.4-76-176.3000113.3L4 G11 K12 S13 E17 C18 I19 V102 P104L4-L15 HydrophobicContact CD1-CB 4.5Å; G11-L15 PolarHBondContact O-N 2.84Å; G11-L15 VanDerWaalsContact O-N 3.1Å; K12-L15 CarbonylContact O-C 3.45Å; K12-L15 WeakPolarHBondContact O-CA 3.33Å; K12-L15 WeakPolarHBondContact O-CB 3.06Å; K12-L15 PolarHBondContact O-N 3.32Å; S13-L15 VanDerWaalsContact C-N 3.35Å; L15-E17 PolarHBondContact O-N 2.91Å; L15-C18 PolarHBondContact O-N 3.06Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.26Å; L15-V102 HydrophobicContact CD1-CG1 3.9Å; L15-P104 HydrophobicContact CD1-CB 4.05Å; L15-P104 HydrophobicContact CD1-CG 4.01Å
16S97Very high95.6Very high5 Ų557.5 Ų57.54%0.03530%0.295CS..Hα-helixtrans-59.5-41.5175.166.40000110K12 S13 I19 R20 I28 D76K12-S16 PolarHBondContact O-N 2.85Å; S13-S16 WeakPolarHBondContact CA-OG 2.92Å; S13-S16 PolarHBondContact O-OG 3.21Å; S16-I19 PolarHBondContact O-N 2.98Å; S16-R20 PolarHBondContact O-N 3.31Å; S16-I28 WeakPolarHBondContact O-CD1 3.45Å; S16-D76 PolarHBondContact OG-OD2 2.97Å
17E96.6Very high95.6Very high60 Ų6061.6 Ų61.628%0.2831%0.312SS..Hα-helixtrans-62.8-46.1173.4-17055.9-148.800112.9S13 F14 L15 I19 R20 I21S13-E17 WeakPolarHBondContact O-CB 3.46Å; S13-E17 PolarHBondContact O-N 3.49Å; F14-E17 PolarHBondContact O-N 3.24Å; L15-E17 PolarHBondContact O-N 2.91Å; E17-I19 PolarHBondContact O-N 2.66Å; E17-R20 VanDerWaalsContact CD-CZ 3.42Å; E17-R20 PolarHBondContact O-N 3.03Å; E17-R20 VanDerWaalsContact O-N 3.11Å; E17-R20 IonicContact OE1-CZ 2.85Å; E17-R20 VanDerWaalsContact OE1-CZ 3.23Å; E17-R20 IonicContact OE1-NE 3.18Å; E17-R20 PolarHBondContact OE1-NE 3.38Å; E17-R20 IonicContact OE1-NH2 3.18Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.86Å; E17-R20 IonicContact OE2-NE 3.54Å; E17-R20 PolarHBondContact OE2-NE 3.47Å; E17-R20 IonicContact OE2-NH1 3.62Å; E17-R20 IonicContact OE2-NH2 3.85Å; E17-R20 PolarHBondContact OE2-NH2 2.66Å; E17-I21 HydrophobicContact CG-CD1 3.94Å; E17-I21 HydrophobicContact CG-CG1 4.39Å; E17-I21 WeakPolarHBondContact O-CG1 3.44Å; E17-I21 PolarHBondContact O-N 2.83Å
18C97.2Very high95.7Very high48 Ų4863.5 Ų63.532%0.32432%0.322SS..Hα-helixtrans-58.2-39.2175.6-69.40000111.9F14 L15 R22F14-C18 VanDerWaalsContact CE1-SG 3.55Å; F14-C18 PolarHBondContact O-N 3.19Å; F14-C18 PolarHBondContact O-SG 2.87Å; L15-C18 PolarHBondContact O-N 3.06Å; C18-R22 WeakPolarHBondContact O-CB 3.4Å; C18-R22 PolarHBondContact O-N 2.83Å
19I95Very high95.8Very high21 Ų2164 Ų6411%0.10832%0.322CS..Hα-helixtrans-65.6-44.4175.6-66.4165.1000110.2F2 L4 L15 S16 E17 R22 F23 V74F2-I19 HydrophobicContact CB-CD1 4.24Å; F2-I19 HydrophobicContact CD1-CD1 4.38Å; F2-I19 HydrophobicContact CD2-CG2 4.16Å; F2-I19 HydrophobicContact CE2-CG2 4.23Å; F2-I19 HydrophobicContact CG-CD1 4.13Å; L4-I19 HydrophobicContact CD2-CD1 4.18Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.26Å; S16-I19 PolarHBondContact O-N 2.98Å; E17-I19 PolarHBondContact O-N 2.66Å; I19-R22 CarbonylContact O-C 3.58Å; I19-R22 PolarHBondContact O-N 2.75Å; I19-F23 HydrophobicContact CG2-CD2 3.98Å; I19-F23 WeakPolarHBondContact O-CB 3.48Å; I19-F23 WeakPolarHBondContact O-CD2 2.95Å; I19-F23 PolarHBondContact O-N 3.31Å; I19-V74 HydrophobicContact CB-CG2 4.29Å; I19-V74 HydrophobicContact CD1-CG1 4.24Å; I19-V74 HydrophobicContact CD1-CG2 4.41Å; I19-V74 HydrophobicContact CG2-CG2 3.55Å
20R95.6Very high95.8Very high114 Ų11463.5 Ų63.543%0.4332%0.316SS..Hα-helixtrans-63.7-42.6176.7-177.7177.574.1-177.414.5112.6S16 E17 R22 F23 P24 I28S16-R20 PolarHBondContact O-N 3.31Å; E17-R20 VanDerWaalsContact CD-CZ 3.42Å; E17-R20 PolarHBondContact O-N 3.03Å; E17-R20 VanDerWaalsContact O-N 3.11Å; E17-R20 IonicContact OE1-CZ 2.85Å; E17-R20 VanDerWaalsContact OE1-CZ 3.23Å; E17-R20 IonicContact OE1-NE 3.18Å; E17-R20 PolarHBondContact OE1-NE 3.38Å; E17-R20 IonicContact OE1-NH2 3.18Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.86Å; E17-R20 IonicContact OE2-NE 3.54Å; E17-R20 PolarHBondContact OE2-NE 3.47Å; E17-R20 IonicContact OE2-NH1 3.62Å; E17-R20 IonicContact OE2-NH2 3.85Å; E17-R20 PolarHBondContact OE2-NH2 2.66Å; R20-R22 VanDerWaalsContact C-N 3.27Å; R20-R22 PolarHBondContact O-N 2.91Å; R20-F23 CarbonylContact O-C 3.59Å; R20-F23 PolarHBondContact O-N 2.94Å; R20-F23 VanDerWaalsContact O-O 3.05Å; R20-P24 WeakPolarHBondContact O-CA 3.38Å; R20-I28 HydrophobicContact CB-CD1 3.91Å
21I96.3Very high95.7Very high120 Ų12063.6 Ų63.662%0.61532%0.317SS*.Hα-helixtrans-59.3-43.3174.1-69.3167.3000110.1E17E17-I21 HydrophobicContact CG-CD1 3.94Å; E17-I21 HydrophobicContact CG-CG1 4.39Å; E17-I21 WeakPolarHBondContact O-CG1 3.44Å; E17-I21 PolarHBondContact O-N 2.83Å
22R94.8Very high95.7Very high172 Ų17264.9 Ų64.965%0.64932%0.319SS*.Hα-helixtrans-72.4-32.4-180-177.360-175.588.2-4.5113.3C18 I19 R20C18-R22 WeakPolarHBondContact O-CB 3.4Å; C18-R22 PolarHBondContact O-N 2.83Å; I19-R22 CarbonylContact O-C 3.58Å; I19-R22 PolarHBondContact O-N 2.75Å; R20-R22 VanDerWaalsContact C-N 3.27Å; R20-R22 PolarHBondContact O-N 2.91Å
23F92.4Very high95.6Very high84 Ų8467.1 Ų67.137%0.36833%0.331SS..SBendtrans-131.683.2-179-55.5-74.6000108.9I19 R20 M25 A26 P72I19-F23 HydrophobicContact CG2-CD2 3.98Å; I19-F23 WeakPolarHBondContact O-CB 3.48Å; I19-F23 WeakPolarHBondContact O-CD2 2.95Å; I19-F23 PolarHBondContact O-N 3.31Å; R20-F23 CarbonylContact O-C 3.59Å; R20-F23 PolarHBondContact O-N 2.94Å; R20-F23 VanDerWaalsContact O-O 3.05Å; F23-M25 PolarHBondContact O-N 2.85Å; F23-A26 HydrophobicContact CB-CB 4.24Å; F23-A26 WeakPolarHBondContact O-CB 3.29Å; F23-A26 PolarHBondContact O-N 2.89Å; F23-P72 HydrophobicContact CB-CG 3.91Å; F23-P72 HydrophobicContact CD2-CG 4.42Å; F23-P72 HydrophobicContact CG-CG 4.16Å
24P93.8Very high95.6Very high98 Ų9864.5 Ų64.564%0.63631%0.311SS*.THydrogen-bonded Turntrans-57.1-23.6-173.9-30.137.5000115.2R20 A26R20-P24 WeakPolarHBondContact O-CA 3.38Å; P24-A26 VanDerWaalsContact C-N 3.26Å; P24-A26 PolarHBondContact O-N 2.9Å
25M90.8Very high95.6Very high135 Ų13557.6 Ų57.667%0.66528%0.281SS*.THydrogen-bonded Turntrans-81.1-4.8177.3-52.8-53.216300113.5F23 K27F23-M25 PolarHBondContact O-N 2.85Å; M25-K27 PolarHBondContact O-N 2.8Å
26A94.5Very high95.6Very high8 Ų858.8 Ų58.87%0.06628%0.282CS..PPolyproline II helixtrans-60.3136.4-179.200000111.4F23 P24 P72 V74F23-A26 HydrophobicContact CB-CB 4.24Å; F23-A26 WeakPolarHBondContact O-CB 3.29Å; F23-A26 PolarHBondContact O-N 2.89Å; P24-A26 VanDerWaalsContact C-N 3.26Å; P24-A26 PolarHBondContact O-N 2.9Å; A26-P72 VanDerWaalsContact CA-O 3.25Å; A26-P72 WeakPolarHBondContact CA-O 3.47Å; A26-P72 HydrophobicContact CB-CG 3.81Å; A26-V74 HydrophobicContact CB-CG2 4.36Å
27K96.6Very high95.4Very high87 Ų8762.2 Ų62.238%0.37830%0.3SS..EExtended strand (participates in β ladder)trans-101.1116.2171.8-62.7-60.9-175.1-179.90109.3M25 F29 Y70 P72 V74M25-K27 PolarHBondContact O-N 2.8Å; K27-F29 HydrophobicContact CB-CD2 4.41Å; K27-F29 HydrophobicContact CB-CE2 3.49Å; K27-F29 VanDerWaalsContact CB-CE2 3.49Å; K27-F29 HydrophobicContact CB-CZ 3.7Å; K27-F29 HydrophobicContact CG-CZ 4.47Å; K27-Y70 HydrophobicContact CD-CD1 4.19Å; K27-Y70 HydrophobicContact CD-CE1 4.4Å; K27-Y70 HydrophobicContact CG-CD1 3.55Å; K27-Y70 HydrophobicContact CG-CE1 4.23Å; K27-Y70 HydrophobicContact CG-CG 3.9Å; K27-P72 PolarHBondContact N-O 2.9Å; K27-P72 VanDerWaalsContact N-O 3.09Å; K27-V74 PolarHBondContact O-N 3.3Å
28I98.1Very high95.2Very high40 Ų4065.2 Ų65.221%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-93.4134174.6-56.7170.2000107.9S16 R20 V74 D76S16-I28 WeakPolarHBondContact O-CD1 3.45Å; R20-I28 HydrophobicContact CB-CD1 3.91Å; I28-V74 CarbonylContact C-O 3.59Å; I28-V74 WeakPolarHBondContact CA-O 3.25Å; I28-V74 HydrophobicContact CG1-CB 4.11Å; I28-V74 HydrophobicContact CG1-CG2 4.48Å; I28-D76 HydrophobicContact CG2-CB 3.91Å
29F98.2Very high94.8Very high27 Ų2763.8 Ų63.812%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-129.2129.5172.9-58.4-79.2000109.6K27 N61 V62 A65 I73 V74 I75 D76K27-F29 HydrophobicContact CB-CD2 4.41Å; K27-F29 HydrophobicContact CB-CE2 3.49Å; K27-F29 VanDerWaalsContact CB-CE2 3.49Å; K27-F29 HydrophobicContact CB-CZ 3.7Å; K27-F29 HydrophobicContact CG-CZ 4.47Å; F29-N61 HydrophobicContact CD1-CB 3.74Å; F29-N61 HydrophobicContact CE1-CB 3.8Å; F29-V62 HydrophobicContact CB-CG2 3.56Å; F29-V62 HydrophobicContact CD1-CG2 4.29Å; F29-V62 HydrophobicContact CD2-CB 4.48Å; F29-V62 HydrophobicContact CD2-CG2 3.65Å; F29-V62 HydrophobicContact CE2-CG2 4.42Å; F29-V62 HydrophobicContact CG-CG2 3.56Å; F29-A65 HydrophobicContact CE2-CB 3.64Å; F29-A65 HydrophobicContact CZ-CB 3.47Å; F29-A65 VanDerWaalsContact CZ-CB 3.47Å; F29-I73 HydrophobicContact CD2-CG2 3.91Å; F29-I73 HydrophobicContact CE2-CG1 4.33Å; F29-I73 HydrophobicContact CE2-CG2 4.02Å; F29-V74 PolarHBondContact N-O 3.29Å; F29-I75 HydrophobicContact CD2-CD1 4.49Å; F29-D76 PolarHBondContact O-N 3.34Å
30S97.1Very high94.6Very high8 Ų870 Ų706%0.05634%0.338CS..  trans-126.8145.9169.4-177.20000110.2D32 D33 D76S30-D32 PolarHBondContact O-N 2.9Å; S30-D32 WeakPolarHBondContact OG-CB 3.35Å; S30-D32 PolarHBondContact OG-N 2.74Å; S30-D33 PolarHBondContact N-OD2 2.89Å; S30-D33 WeakPolarHBondContact O-CB 3.2Å; S30-D33 PolarHBondContact O-N 3.49Å; S30-D76 PolarHBondContact OG-O 3.37Å
31A96.1Very high94.3Very high4 Ų467 Ų673%0.03334%0.342CS..G310 helixtrans-65.4-24.3166.600000111D33 F34 C58 N77A31-D33 PolarHBondContact O-N 2.99Å; A31-F34 VanDerWaalsContact O-CB 3.26Å; A31-F34 WeakPolarHBondContact O-CB 3.39Å; A31-F34 PolarHBondContact O-N 3.43Å; A31-C58 HydrophobicContact CB-CB 4.12Å; A31-N77 WeakPolarHBondContact CB-OD1 2.86Å; A31-N77 PolarHBondContact N-OD1 3.21Å
32D94.4Very high94Very high49 Ų4966.4 Ų66.426%0.26235%0.348SS..G310 helixtrans-69.7-20.7178.7-66.3-29.4000112.7S30 F34 W35 Y36 Y44 H121S30-D32 PolarHBondContact O-N 2.9Å; S30-D32 WeakPolarHBondContact OG-CB 3.35Å; S30-D32 PolarHBondContact OG-N 2.74Å; D32-F34 PolarHBondContact O-N 2.89Å; D32-W35 PolarHBondContact O-N 3.25Å; D32-Y36 VanDerWaalsContact O-CD2 3.29Å; D32-Y36 WeakPolarHBondContact O-CD2 3.32Å; D32-Y36 WeakPolarHBondContact O-CE2 3.45Å; D32-Y44 HydrophobicContact CB-CE2 4.17Å; D32-H121 IonicContact OD2-CD2 2.66Å; D32-H121 IonicContact OD2-NE2 3.57Å
33D95.6Very high93.9Very high65 Ų6564.2 Ų64.235%0.34835%0.345SS..G310 helixtrans-64.1-25.3175.8-61.9-31.1000111.9S30 A31 W35 Y36 W57S30-D33 PolarHBondContact N-OD2 2.89Å; S30-D33 WeakPolarHBondContact O-CB 3.2Å; S30-D33 PolarHBondContact O-N 3.49Å; A31-D33 PolarHBondContact O-N 2.99Å; D33-W35 VanDerWaalsContact C-N 3.28Å; D33-W35 PolarHBondContact O-N 3.41Å; D33-Y36 PolarHBondContact O-N 3.1Å; D33-W57 HydrophobicContact CB-CH2 3.78Å; D33-W57 HydrophobicContact CB-CZ3 3.76Å
34F96.5Very high93.9Very high12 Ų1263.1 Ų63.15%0.05334%0.339CS..G310 helixtrans-61.4-37.3176.4178.5-97.1000112.1A31 D32 Y36 L37 E53 A54 W57A31-F34 VanDerWaalsContact O-CB 3.26Å; A31-F34 WeakPolarHBondContact O-CB 3.39Å; A31-F34 PolarHBondContact O-N 3.43Å; D32-F34 PolarHBondContact O-N 2.89Å; F34-Y36 PolarHBondContact O-N 3.11Å; F34-Y36 VanDerWaalsContact O-N 3.12Å; F34-L37 HydrophobicContact CD2-CD1 3.58Å; F34-L37 HydrophobicContact CE2-CD1 4.08Å; F34-L37 HydrophobicContact CG-CD1 4.24Å; F34-L37 WeakPolarHBondContact O-CB 3.41Å; F34-L37 VanDerWaalsContact O-CG 3.28Å; F34-L37 WeakPolarHBondContact O-CG 3.46Å; F34-L37 PolarHBondContact O-N 3.32Å; F34-L37 VanDerWaalsContact O-N 3.12Å; F34-E53 HydrophobicContact CE2-CG 3.97Å; F34-E53 HydrophobicContact CZ-CB 4.17Å; F34-E53 HydrophobicContact CZ-CG 3.68Å; F34-E53 WeakPolarHBondContact CZ-OE1 3.24Å; F34-A54 HydrophobicContact CB-CB 3.8Å; F34-A54 HydrophobicContact CD1-CB 3.43Å; F34-A54 VanDerWaalsContact CD1-CB 3.43Å; F34-A54 HydrophobicContact CE1-CB 4.13Å; F34-A54 HydrophobicContact CG-CB 3.68Å; F34-W57 HydrophobicContact CB-CD2 4.33Å; F34-W57 HydrophobicContact CB-CE3 4.03Å; F34-W57 HydrophobicContact CD2-CB 3.66Å; F34-W57 HydrophobicContact CD2-CD2 4.04Å; F34-W57 AromaticContact CD2-CG 3.63Å; F34-W57 HydrophobicContact CD2-CG 3.63Å; F34-W57 HydrophobicContact CE2-CB 4.17Å; F34-W57 HydrophobicContact CE2-CG 4.32Å
35W95.7Very high93.8Very high6 Ų662 Ų622%0.02333%0.325CS..G310 helixtrans-73.1-4.3-175.5-52.2120.1000113.9D32 D33 Y44 Q45 F46 D47 R50 L51 A54D32-W35 PolarHBondContact O-N 3.25Å; D33-W35 VanDerWaalsContact C-N 3.28Å; D33-W35 PolarHBondContact O-N 3.41Å; W35-Y44 HydrophobicContact CB-CD2 3.7Å; W35-Y44 HydrophobicContact CB-CE2 3.61Å; W35-Y44 HydrophobicContact CB-CG 4.37Å; W35-Y44 AromaticContact CD1-CE2 3.41Å; W35-Y44 VanDerWaalsContact CD1-CE2 3.41Å; W35-Y44 AromaticContact CD1-CZ 3.6Å; W35-Y44 HydrophobicContact CG-CD2 4.39Å; W35-Y44 AromaticContact CG-CE2 3.81Å; W35-Y44 HydrophobicContact CG-CE2 3.81Å; W35-Q45 VanDerWaalsContact CE3-O 3.26Å; W35-Q45 PolarHBondContact O-N 2.7Å; W35-F46 HydrophobicContact CD2-CD2 4.16Å; W35-F46 AromaticContact CE2-CD2 3.63Å; W35-F46 HydrophobicContact CH2-CD2 4.4Å; W35-F46 AromaticContact CZ2-CD2 3.77Å; W35-F46 HydrophobicContact CZ2-CD2 3.77Å; W35-F46 AromaticContact CZ2-CE2 3.88Å; W35-F46 HydrophobicContact CZ2-CE2 3.88Å; W35-F46 AromaticContact NE1-CD2 3.77Å; W35-D47 WeakPolarHBondContact CH2-O 3.42Å; W35-D47 HydrophobicContact CZ3-CB 4.07Å; W35-D47 WeakPolarHBondContact CZ3-O 3.29Å; W35-R50 HydrophobicContact CH2-CB 4.01Å; W35-R50 HydrophobicContact CZ3-CB 3.98Å; W35-L51 HydrophobicContact CZ2-CD1 4.17Å; W35-A54 HydrophobicContact CH2-CB 3.88Å; W35-A54 HydrophobicContact CZ2-CB 3.45Å; W35-A54 VanDerWaalsContact CZ2-CB 3.45Å
36Y95Very high93.9Very high71 Ų7160.6 Ų60.628%0.27832%0.316SS..G310 helixtrans-101.9-6.2174.5-63.1-85.1000112.9D32 D33 F34 S39 N40 G41 Y44 H121D32-Y36 VanDerWaalsContact O-CD2 3.29Å; D32-Y36 WeakPolarHBondContact O-CD2 3.32Å; D32-Y36 WeakPolarHBondContact O-CE2 3.45Å; D33-Y36 PolarHBondContact O-N 3.1Å; F34-Y36 PolarHBondContact O-N 3.11Å; F34-Y36 VanDerWaalsContact O-N 3.12Å; Y36-S39 PolarHBondContact O-N 3.44Å; Y36-S39 PolarHBondContact O-OG 3.32Å; Y36-S39 VanDerWaalsContact O-OG 3.05Å; Y36-N40 PolarHBondContact O-N 3.22Å; Y36-G41 PolarHBondContact O-N 3Å; Y36-Y44 HydrophobicContact CD2-CD2 4.22Å; Y36-Y44 HydrophobicContact CE1-CD2 4.19Å; Y36-Y44 HydrophobicContact CE1-CG 4.46Å; Y36-Y44 AromaticContact CE2-CD2 3.55Å; Y36-Y44 HydrophobicContact CE2-CD2 3.55Å; Y36-Y44 HydrophobicContact CE2-CE2 4.26Å; Y36-Y44 AromaticContact CZ-CD2 3.52Å; Y36-H121 PolarHBondContact OH-CE1 3.34Å
37L93.3Very high93.8Very high78 Ų7863.1 Ų63.141%0.40833%0.328SS..THydrogen-bonded Turntrans-65.2-46.2-172-66.4175000112.6F34 S39 N40 W57F34-L37 HydrophobicContact CD2-CD1 3.58Å; F34-L37 HydrophobicContact CE2-CD1 4.08Å; F34-L37 HydrophobicContact CG-CD1 4.24Å; F34-L37 WeakPolarHBondContact O-CB 3.41Å; F34-L37 VanDerWaalsContact O-CG 3.28Å; F34-L37 WeakPolarHBondContact O-CG 3.46Å; F34-L37 PolarHBondContact O-N 3.32Å; F34-L37 VanDerWaalsContact O-N 3.12Å; L37-S39 PolarHBondContact O-N 3.35Å; L37-N40 PolarHBondContact O-N 3.06Å; L37-N40 VanDerWaalsContact O-N 3.11Å; L37-W57 HydrophobicContact CD1-CD2 4.32Å; L37-W57 HydrophobicContact CD1-CZ2 4.1Å; L37-W57 HydrophobicContact CD2-CZ2 4.01Å
38E91.6Very high93.5Very high123 Ų12365.1 Ų65.158%0.57534%0.341SS*.THydrogen-bonded Turntrans-68.6-24.9-176.8-69.1-178.7-178.700112.9R50E38-R50 VanDerWaalsContact CD-NH1 3.32Å; E38-R50 IonicContact OE1-CZ 3.73Å; E38-R50 IonicContact OE1-NH1 3.95Å; E38-R50 PolarHBondContact OE1-NH1 2.97Å; E38-R50 IonicContact OE1-NH2 3.49Å; E38-R50 PolarHBondContact OE1-NH2 3Å; E38-R50 IonicContact OE2-NH1 3.71Å; E38-R50 PolarHBondContact OE2-NH1 3.02Å
39S90.4Very high93.4Very high18 Ų1867.5 Ų67.513%0.12636%0.362CS..THydrogen-bonded Turntrans-93.710.2175.967.70000113.2Y36 L37 G41 C42 E43Y36-S39 PolarHBondContact O-N 3.44Å; Y36-S39 PolarHBondContact O-OG 3.32Å; Y36-S39 VanDerWaalsContact O-OG 3.05Å; L37-S39 PolarHBondContact O-N 3.35Å; S39-G41 PolarHBondContact O-N 3.37Å; S39-C42 WeakPolarHBondContact O-CB 3.46Å; S39-C42 PolarHBondContact O-N 2.94Å; S39-C42 VanDerWaalsContact O-N 3.11Å; S39-C42 PolarHBondContact OG-N 3.14Å; S39-E43 PolarHBondContact OG-N 3.31Å; S39-E43 PolarHBondContact OG-O 2.74Å
40N90.2Very high93.3Very high152 Ų15268.8 Ų68.881%0.81337%0.365SS*.THydrogen-bonded Turntrans52.134.8-174.4-64.7-43.4000113.7Y36 L37Y36-N40 PolarHBondContact O-N 3.22Å; L37-N40 PolarHBondContact O-N 3.06Å; L37-N40 VanDerWaalsContact O-N 3.11Å
41G89.3Confident93.1Very high50 Ų5071.6 Ų71.652%0.51538%0.38SS..THydrogen-bonded Turntrans95.7-8.1-179.900000115.3Y36 S39Y36-G41 PolarHBondContact O-N 3Å; S39-G41 PolarHBondContact O-N 3.37Å
42C90.1Very high93.1Very high108 Ų10875.7 Ų75.773%0.7341%0.408SS*.SBendtrans-84.2-39.5-167.8-66.10000114.2S39S39-C42 WeakPolarHBondContact O-CB 3.46Å; S39-C42 PolarHBondContact O-N 2.94Å; S39-C42 VanDerWaalsContact O-N 3.11Å; S39-C42 PolarHBondContact OG-N 3.14Å
43E92.5Very high93.2Very high125 Ų12577.3 Ų77.358%0.58441%0.414SS*.  trans-133.6139-171-65.2-175.5171.200111.8S39 Q45S39-E43 PolarHBondContact OG-N 3.31Å; S39-E43 PolarHBondContact OG-O 2.74Å; E43-Q45 HydrophobicContact CB-CG 4.45Å
44Y92.6Very high93.2Very high61 Ų6174.2 Ų74.224%0.23940%0.398CS..  trans-83.5116.1175.8-177.1-98.4000110.6D32 W35 Y36 F46 H121D32-Y44 HydrophobicContact CB-CE2 4.17Å; W35-Y44 HydrophobicContact CB-CD2 3.7Å; W35-Y44 HydrophobicContact CB-CE2 3.61Å; W35-Y44 HydrophobicContact CB-CG 4.37Å; W35-Y44 AromaticContact CD1-CE2 3.41Å; W35-Y44 VanDerWaalsContact CD1-CE2 3.41Å; W35-Y44 AromaticContact CD1-CZ 3.6Å; W35-Y44 HydrophobicContact CG-CD2 4.39Å; W35-Y44 AromaticContact CG-CE2 3.81Å; W35-Y44 HydrophobicContact CG-CE2 3.81Å; Y36-Y44 HydrophobicContact CD2-CD2 4.22Å; Y36-Y44 HydrophobicContact CE1-CD2 4.19Å; Y36-Y44 HydrophobicContact CE1-CG 4.46Å; Y36-Y44 AromaticContact CE2-CD2 3.55Å; Y36-Y44 HydrophobicContact CE2-CD2 3.55Å; Y36-Y44 HydrophobicContact CE2-CE2 4.26Å; Y36-Y44 AromaticContact CZ-CD2 3.52Å; Y44-F46 HydrophobicContact CD1-CB 4.28Å; Y44-F46 HydrophobicContact CE1-CB 3.52Å; Y44-F46 HydrophobicContact CE1-CG 4.46Å; Y44-H121 AromaticContact CD2-CE1 3.94Å; Y44-H121 AromaticContact CD2-ND1 3.52Å; Y44-H121 HydrophobicContact CE1-CB 3.94Å; Y44-H121 AromaticContact CE1-ND1 3.9Å; Y44-H121 AromaticContact CE2-CE1 3.75Å; Y44-H121 AromaticContact CE2-ND1 3.31Å; Y44-H121 VanDerWaalsContact CE2-ND1 3.31Å; Y44-H121 WeakPolarHBondContact CE2-ND1 3.48Å; Y44-H121 AromaticContact CG-ND1 3.89Å; Y44-H121 AromaticContact CZ-CG 3.86Å; Y44-H121 AromaticContact CZ-ND1 3.55Å
45Q92.1Very high93.2Very high75 Ų7577.2 Ų77.235%0.3541%0.412SS..  trans-121.572.7-172.6-64.5178.8-14.400111.4W35 E43 D47W35-Q45 VanDerWaalsContact CE3-O 3.26Å; W35-Q45 PolarHBondContact O-N 2.7Å; E43-Q45 HydrophobicContact CB-CG 4.45Å; Q45-D47 PolarHBondContact O-N 3.28Å
46F92.3Very high93.2Very high106 Ų10682.7 Ų82.747%0.46544%0.438SS..  trans-69.3128.6-178.6178.3-96.8000112.8W35 Y44 I48 L51W35-F46 HydrophobicContact CD2-CD2 4.16Å; W35-F46 AromaticContact CE2-CD2 3.63Å; W35-F46 HydrophobicContact CH2-CD2 4.4Å; W35-F46 AromaticContact CZ2-CD2 3.77Å; W35-F46 HydrophobicContact CZ2-CD2 3.77Å; W35-F46 AromaticContact CZ2-CE2 3.88Å; W35-F46 HydrophobicContact CZ2-CE2 3.88Å; W35-F46 AromaticContact NE1-CD2 3.77Å; Y44-F46 HydrophobicContact CD1-CB 4.28Å; Y44-F46 HydrophobicContact CE1-CB 3.52Å; Y44-F46 HydrophobicContact CE1-CG 4.46Å; F46-I48 HydrophobicContact CE1-CB 3.92Å; F46-I48 HydrophobicContact CZ-CB 4.14Å; F46-I48 HydrophobicContact CZ-CG1 4.46Å; F46-L51 HydrophobicContact CE2-CD1 4.34Å
47D92.2Very high93.4Very high61 Ų6183 Ų8333%0.32644%0.438SS..  trans-130.9110.6172.5-179.5-5.3000110.2W35 Q45 S49 R50 L51W35-D47 WeakPolarHBondContact CH2-O 3.42Å; W35-D47 HydrophobicContact CZ3-CB 4.07Å; W35-D47 WeakPolarHBondContact CZ3-O 3.29Å; Q45-D47 PolarHBondContact O-N 3.28Å; D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.14Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.41Å; D47-S49 PolarHBondContact OD1-N 3.08Å; D47-S49 PolarHBondContact OD1-OG 3.28Å; D47-S49 PolarHBondContact OD2-OG 2.93Å; D47-R50 HydrophobicContact CB-CB 4.41Å; D47-R50 HydrophobicContact CB-CG 4.42Å; D47-R50 PolarHBondContact O-N 2.73Å; D47-R50 WeakPolarHBondContact OD2-CD 3.44Å; D47-L51 PolarHBondContact O-N 3.07Å
48I91.3Very high93.6Very high129 Ų12979.2 Ų79.266%0.66242%0.419SS*.G310 helixtrans-58.1-29.9-179.5-166.2167.9000112.9F46 R50 L51F46-I48 HydrophobicContact CE1-CB 3.92Å; F46-I48 HydrophobicContact CZ-CB 4.14Å; F46-I48 HydrophobicContact CZ-CG1 4.46Å; I48-R50 PolarHBondContact O-N 3.15Å; I48-L51 WeakPolarHBondContact O-CB 3.5Å; I48-L51 PolarHBondContact O-N 3.42Å
49S95.3Very high93.9Very high90 Ų9075.2 Ų75.263%0.62940%0.4SS*.G310 helixtrans-67.7-19.1179.475.90000112.7D47D47-S49 PolarHBondContact O-N 3.47Å; D47-S49 VanDerWaalsContact O-N 3.14Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.41Å; D47-S49 PolarHBondContact OD1-N 3.08Å; D47-S49 PolarHBondContact OD1-OG 3.28Å; D47-S49 PolarHBondContact OD2-OG 2.93Å
50R95.8Very high94.2Very high53 Ų5378 Ų7820%0.241%0.413CS..G310 helixtrans-108.310.3-179.4-63.117564.5-168.310.3113.1W35 E38 D47 I48 S52 E53 A54W35-R50 HydrophobicContact CH2-CB 4.01Å; W35-R50 HydrophobicContact CZ3-CB 3.98Å; E38-R50 VanDerWaalsContact CD-NH1 3.32Å; E38-R50 IonicContact OE1-CZ 3.73Å; E38-R50 IonicContact OE1-NH1 3.95Å; E38-R50 PolarHBondContact OE1-NH1 2.97Å; E38-R50 IonicContact OE1-NH2 3.49Å; E38-R50 PolarHBondContact OE1-NH2 3Å; E38-R50 IonicContact OE2-NH1 3.71Å; E38-R50 PolarHBondContact OE2-NH1 3.02Å; D47-R50 HydrophobicContact CB-CB 4.41Å; D47-R50 HydrophobicContact CB-CG 4.42Å; D47-R50 PolarHBondContact O-N 2.73Å; D47-R50 WeakPolarHBondContact OD2-CD 3.44Å; I48-R50 PolarHBondContact O-N 3.15Å; R50-S52 PolarHBondContact O-N 3.13Å; R50-E53 HydrophobicContact CB-CB 4.41Å; R50-E53 IonicContact CZ-OE2 3.57Å; R50-E53 IonicContact NE-OE2 2.68Å; R50-E53 PolarHBondContact NE-OE2 2.93Å; R50-E53 IonicContact NH2-OE1 3.4Å; R50-E53 IonicContact NH2-OE2 3.45Å; R50-E53 WeakPolarHBondContact O-CA 3.41Å; R50-E53 VanDerWaalsContact O-CB 3.27Å; R50-E53 WeakPolarHBondContact O-CB 3.28Å; R50-E53 PolarHBondContact O-N 2.95Å; R50-A54 PolarHBondContact O-N 3.5Å
51L93.5Very high94.6Very high67 Ų6773 Ų7335%0.35139%0.386SS..Hα-helixtrans-58-37.1-177.4-17861.7000112.5W35 F46 D47 I48 E53 A54 H55W35-L51 HydrophobicContact CZ2-CD1 4.17Å; F46-L51 HydrophobicContact CE2-CD1 4.34Å; D47-L51 PolarHBondContact O-N 3.07Å; I48-L51 WeakPolarHBondContact O-CB 3.5Å; I48-L51 PolarHBondContact O-N 3.42Å; L51-E53 VanDerWaalsContact C-N 3.34Å; L51-A54 PolarHBondContact O-N 2.84Å; L51-H55 PolarHBondContact O-CD2 2.77Å; L51-H55 PolarHBondContact O-N 3.32Å; L51-H55 VanDerWaalsContact O-N 3.14Å
52S94.8Very high95Very high91 Ų9170.6 Ų70.664%0.63636%0.362SS*.Hα-helixtrans-64.2-38.9174.8530000112.5R50 H55 E56R50-S52 PolarHBondContact O-N 3.13Å; S52-H55 PolarHBondContact O-N 3.42Å; S52-E56 WeakPolarHBondContact O-CB 3.39Å; S52-E56 PolarHBondContact O-N 3.29Å
53E97.2Very high95.3Very high83 Ų8369.5 Ų69.539%0.38834%0.343SS..Hα-helixtrans-64.8-44.3177.4-168.1-171.2169.900110.7F34 R50 L51 H55 E56 W57F34-E53 HydrophobicContact CE2-CG 3.97Å; F34-E53 HydrophobicContact CZ-CB 4.17Å; F34-E53 HydrophobicContact CZ-CG 3.68Å; F34-E53 WeakPolarHBondContact CZ-OE1 3.24Å; R50-E53 HydrophobicContact CB-CB 4.41Å; R50-E53 IonicContact CZ-OE2 3.57Å; R50-E53 IonicContact NE-OE2 2.68Å; R50-E53 PolarHBondContact NE-OE2 2.93Å; R50-E53 IonicContact NH2-OE1 3.4Å; R50-E53 IonicContact NH2-OE2 3.45Å; R50-E53 WeakPolarHBondContact O-CA 3.41Å; R50-E53 VanDerWaalsContact O-CB 3.27Å; R50-E53 WeakPolarHBondContact O-CB 3.28Å; R50-E53 PolarHBondContact O-N 2.95Å; L51-E53 VanDerWaalsContact C-N 3.34Å; E53-H55 VanDerWaalsContact C-N 3.35Å; E53-H55 PolarHBondContact O-N 2.9Å; E53-E56 PolarHBondContact O-N 2.96Å; E53-W57 WeakPolarHBondContact O-CB 3.32Å; E53-W57 PolarHBondContact O-N 3.24Å
54A96.3Very high95.5Very high0 Ų067.9 Ų67.90%034%0.338CS..Hα-helixtrans-59.6-43.9176.400000112.4F34 W35 R50 L51 C58F34-A54 HydrophobicContact CB-CB 3.8Å; F34-A54 HydrophobicContact CD1-CB 3.43Å; F34-A54 VanDerWaalsContact CD1-CB 3.43Å; F34-A54 HydrophobicContact CE1-CB 4.13Å; F34-A54 HydrophobicContact CG-CB 3.68Å; W35-A54 HydrophobicContact CH2-CB 3.88Å; W35-A54 HydrophobicContact CZ2-CB 3.45Å; W35-A54 VanDerWaalsContact CZ2-CB 3.45Å; R50-A54 PolarHBondContact O-N 3.5Å; L51-A54 PolarHBondContact O-N 2.84Å; A54-C58 WeakPolarHBondContact O-CB 3.5Å; A54-C58 PolarHBondContact O-N 3.46Å
55H95.6Very high95.7Very high74 Ų7465.2 Ų65.234%0.34333%0.329SS..Hα-helixtrans-66.1-43.7175.4-78-58.5000112.2L51 S52 E53 W57 C58 H59L51-H55 PolarHBondContact O-CD2 2.77Å; L51-H55 PolarHBondContact O-N 3.32Å; L51-H55 VanDerWaalsContact O-N 3.14Å; S52-H55 PolarHBondContact O-N 3.42Å; E53-H55 VanDerWaalsContact C-N 3.35Å; E53-H55 PolarHBondContact O-N 2.9Å; H55-W57 PolarHBondContact O-N 2.8Å; H55-C58 PolarHBondContact O-N 2.92Å; H55-H59 VanDerWaalsContact O-CB 3.31Å; H55-H59 WeakPolarHBondContact O-CB 3.42Å; H55-H59 PolarHBondContact O-CD2 2.98Å; H55-H59 PolarHBondContact O-N 2.83Å; H55-H59 PolarHBondContact O-ND1 2.81Å
56E96.8Very high95.7Very high122 Ų12261.9 Ų61.957%0.5731%0.313SS*.Hα-helixtrans-61.8-42.5176.7-176.1172.3-172.800112S52 E53 C58 H59 N60S52-E56 WeakPolarHBondContact O-CB 3.39Å; S52-E56 PolarHBondContact O-N 3.29Å; E53-E56 PolarHBondContact O-N 2.96Å; E56-C58 PolarHBondContact O-N 3.06Å; E56-H59 WeakPolarHBondContact O-CB 3.38Å; E56-H59 PolarHBondContact O-N 2.84Å; E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 VanDerWaalsContact O-CG 3.26Å; E56-N60 PolarHBondContact O-N 2.84Å; E56-N60 PolarHBondContact O-ND2 3.43Å
57W97.7Very high95.6Very high76 Ų7659.7 Ų59.729%0.28831%0.311SS..Hα-helixtrans-59-47.7174.2178.793.2000111.6D33 F34 L37 E53 H55 H59 N60 N61D33-W57 HydrophobicContact CB-CH2 3.78Å; D33-W57 HydrophobicContact CB-CZ3 3.76Å; F34-W57 HydrophobicContact CB-CD2 4.33Å; F34-W57 HydrophobicContact CB-CE3 4.03Å; F34-W57 HydrophobicContact CD2-CB 3.66Å; F34-W57 HydrophobicContact CD2-CD2 4.04Å; F34-W57 AromaticContact CD2-CG 3.63Å; F34-W57 HydrophobicContact CD2-CG 3.63Å; F34-W57 HydrophobicContact CE2-CB 4.17Å; F34-W57 HydrophobicContact CE2-CG 4.32Å; L37-W57 HydrophobicContact CD1-CD2 4.32Å; L37-W57 HydrophobicContact CD1-CZ2 4.1Å; L37-W57 HydrophobicContact CD2-CZ2 4.01Å; E53-W57 WeakPolarHBondContact O-CB 3.32Å; E53-W57 PolarHBondContact O-N 3.24Å; H55-W57 PolarHBondContact O-N 2.8Å; W57-H59 PolarHBondContact O-N 2.79Å; W57-N60 PolarHBondContact O-N 2.9Å; W57-N61 VanDerWaalsContact CH2-ND2 3.34Å; W57-N61 WeakPolarHBondContact CH2-ND2 3.34Å; W57-N61 WeakPolarHBondContact CZ2-ND2 3.46Å; W57-N61 PolarHBondContact O-N 2.9Å; W57-N61 PolarHBondContact O-ND2 3.18Å; W57-N61 VanDerWaalsContact O-ND2 3.11Å
58C97.8Very high95.6Very high0 Ų059.2 Ų59.20%031%0.312CS..Hα-helixtrans-62-45.6176.8-178.80000111.2A31 A54 H55 E56 N60 N61 V62A31-C58 HydrophobicContact CB-CB 4.12Å; A54-C58 WeakPolarHBondContact O-CB 3.5Å; A54-C58 PolarHBondContact O-N 3.46Å; H55-C58 PolarHBondContact O-N 2.92Å; E56-C58 PolarHBondContact O-N 3.06Å; C58-N60 VanDerWaalsContact C-N 3.35Å; C58-N60 PolarHBondContact O-N 3.39Å; C58-N61 PolarHBondContact O-N 3.46Å; C58-V62 VanDerWaalsContact O-CG2 3.26Å; C58-V62 WeakPolarHBondContact O-CG2 3.31Å; C58-V62 PolarHBondContact O-N 3.25Å
59H97.4Very high95.3Very high39 Ų3953.3 Ų53.318%0.18128%0.283CS..Hα-helixtrans-56.6-46.7177.1-72.8169.7000112H55 E56 W57 N61 V62 Y63 Y87 Y88H55-H59 VanDerWaalsContact O-CB 3.31Å; H55-H59 WeakPolarHBondContact O-CB 3.42Å; H55-H59 PolarHBondContact O-CD2 2.98Å; H55-H59 PolarHBondContact O-N 2.83Å; H55-H59 PolarHBondContact O-ND1 2.81Å; E56-H59 WeakPolarHBondContact O-CB 3.38Å; E56-H59 PolarHBondContact O-N 2.84Å; W57-H59 PolarHBondContact O-N 2.79Å; H59-N61 PolarHBondContact O-N 3.22Å; H59-V62 PolarHBondContact O-N 3.08Å; H59-Y63 WeakPolarHBondContact O-CB 3.37Å; H59-Y63 PolarHBondContact O-N 2.97Å; H59-Y87 HydrophobicContact CB-CD1 4.24Å; H59-Y87 HydrophobicContact CB-CE1 3.48Å; H59-Y87 VanDerWaalsContact CB-CE1 3.48Å; H59-Y87 HydrophobicContact CB-CE2 4.24Å; H59-Y87 VanDerWaalsContact CB-CZ 3.49Å; H59-Y87 AromaticContact CD2-CD1 3.34Å; H59-Y87 WeakPolarHBondContact CD2-CD1 3.34Å; H59-Y87 AromaticContact CD2-CE1 3.51Å; H59-Y87 AromaticContact CD2-CG 3.94Å; H59-Y87 AromaticContact CE1-CG 3.9Å; H59-Y87 AromaticContact CG-CD1 3.62Å; H59-Y87 AromaticContact CG-CE1 3.39Å; H59-Y87 AromaticContact CG-CZ 3.62Å; H59-Y87 AromaticContact ND1-CD2 3.99Å; H59-Y87 AromaticContact ND1-CE2 3.97Å; H59-Y87 AromaticContact NE2-CD1 3.67Å; H59-Y87 AromaticContact NE2-CG 3.82Å; H59-Y88 AromaticContact CD2-CE1 3.92Å; H59-Y88 AromaticContact CD2-CZ 3.7Å; H59-Y88 PolarHBondContact CD2-OH 3.21Å; H59-Y88 VanDerWaalsContact CD2-OH 3.27Å; H59-Y88 AromaticContact NE2-CZ 3.83Å; H59-Y88 PolarHBondContact NE2-OH 3.34Å
60N97.8Very high95.1Very high76 Ų7652.5 Ų52.541%0.40627%0.267SS..Hα-helixtrans-64-40.8178.7-73.3-26.6000112.3E56 W57 C58 Y63 N64E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 VanDerWaalsContact O-CG 3.26Å; E56-N60 PolarHBondContact O-N 2.84Å; E56-N60 PolarHBondContact O-ND2 3.43Å; W57-N60 PolarHBondContact O-N 2.9Å; C58-N60 VanDerWaalsContact C-N 3.35Å; C58-N60 PolarHBondContact O-N 3.39Å; N60-Y63 WeakPolarHBondContact O-CB 3.24Å; N60-Y63 PolarHBondContact O-N 2.93Å; N60-N64 PolarHBondContact O-N 2.82Å; N60-N64 PolarHBondContact O-ND2 2.96Å
61N98.2Very high94.7Very high47 Ų4752.7 Ų52.725%0.25128%0.276SS..Hα-helixtrans-64.2-42.2176-78.2-46.5000112.4F29 W57 C58 H59 Y63 N64 A65F29-N61 HydrophobicContact CD1-CB 3.74Å; F29-N61 HydrophobicContact CE1-CB 3.8Å; W57-N61 VanDerWaalsContact CH2-ND2 3.34Å; W57-N61 WeakPolarHBondContact CH2-ND2 3.34Å; W57-N61 WeakPolarHBondContact CZ2-ND2 3.46Å; W57-N61 PolarHBondContact O-N 2.9Å; W57-N61 PolarHBondContact O-ND2 3.18Å; W57-N61 VanDerWaalsContact O-ND2 3.11Å; C58-N61 PolarHBondContact O-N 3.46Å; H59-N61 PolarHBondContact O-N 3.22Å; N61-Y63 VanDerWaalsContact C-N 3.35Å; N61-N64 PolarHBondContact O-N 2.83Å; N61-A65 WeakPolarHBondContact O-CB 3.29Å; N61-A65 PolarHBondContact O-N 3.42Å
62V97.6Very high94.7Very high0 Ų050.5 Ų50.50%027%0.266CS..Hα-helixtrans-66.4-40.6175.5-176.60000110.6M1 F29 C58 H59 N64 A65 V66 I73 I75 Y88 M91M1-V62 HydrophobicContact CE-CG1 4.26Å; F29-V62 HydrophobicContact CB-CG2 3.56Å; F29-V62 HydrophobicContact CD1-CG2 4.29Å; F29-V62 HydrophobicContact CD2-CB 4.48Å; F29-V62 HydrophobicContact CD2-CG2 3.65Å; F29-V62 HydrophobicContact CE2-CG2 4.42Å; F29-V62 HydrophobicContact CG-CG2 3.56Å; C58-V62 VanDerWaalsContact O-CG2 3.26Å; C58-V62 WeakPolarHBondContact O-CG2 3.31Å; C58-V62 PolarHBondContact O-N 3.25Å; H59-V62 PolarHBondContact O-N 3.08Å; V62-N64 PolarHBondContact O-N 3.37Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 3.31Å; V62-A65 VanDerWaalsContact O-N 3.12Å; V62-V66 HydrophobicContact CG1-CG1 4.43Å; V62-V66 PolarHBondContact O-N 2.98Å; V62-I73 HydrophobicContact CG1-CG2 4.16Å; V62-I75 HydrophobicContact CB-CD1 4.32Å; V62-I75 HydrophobicContact CG1-CD1 3.7Å; V62-I75 HydrophobicContact CG2-CD1 3.55Å; V62-Y88 HydrophobicContact CB-CE1 4.49Å; V62-Y88 HydrophobicContact CG1-CD1 4.3Å; V62-Y88 HydrophobicContact CG2-CE1 4.06Å; V62-M91 HydrophobicContact CB-CE 3.79Å; V62-M91 HydrophobicContact CB-SD 4.44Å; V62-M91 HydrophobicContact CG1-CE 3.17Å; V62-M91 HydrophobicContact CG1-SD 3.96Å
63Y96.9Very high94.7Very high85 Ų8546.1 Ų46.133%0.33324%0.236SC..Hα-helixtrans-57.2-47.7175.1-178.4-99000111.8H59 N60 N61 A65 V66 C67 M91 F95H59-Y63 WeakPolarHBondContact O-CB 3.37Å; H59-Y63 PolarHBondContact O-N 2.97Å; N60-Y63 WeakPolarHBondContact O-CB 3.24Å; N60-Y63 PolarHBondContact O-N 2.93Å; N61-Y63 VanDerWaalsContact C-N 3.35Å; Y63-A65 VanDerWaalsContact C-N 3.25Å; Y63-A65 PolarHBondContact O-N 2.98Å; Y63-V66 WeakPolarHBondContact O-CG2 3.35Å; Y63-V66 PolarHBondContact O-N 3.36Å; Y63-C67 VanDerWaalsContact CE1-SG 3.53Å; Y63-C67 VanDerWaalsContact CZ-SG 3.51Å; Y63-C67 WeakPolarHBondContact O-CB 3.44Å; Y63-C67 PolarHBondContact O-N 3.34Å; Y63-C67 PolarHBondContact O-SG 2.92Å; Y63-M91 HydrophobicContact CD2-SD 4.36Å; Y63-F95 HydrophobicContact CD2-CE2 4.24Å; Y63-F95 HydrophobicContact CD2-CZ 4.41Å; Y63-F95 AromaticContact CE2-CE2 3.92Å; Y63-F95 HydrophobicContact CE2-CE2 3.92Å; Y63-F95 AromaticContact CE2-CZ 3.8Å; Y63-F95 HydrophobicContact CE2-CZ 3.8Å
64N96.7Very high94.8Very high91 Ų9142.2 Ų42.249%0.48722%0.217SC..Hα-helixtrans-60.4-37.9176-68.9-25.5000111.9N60 N61 V62 S68N60-N64 PolarHBondContact O-N 2.82Å; N60-N64 PolarHBondContact O-ND2 2.96Å; N61-N64 PolarHBondContact O-N 2.83Å; V62-N64 PolarHBondContact O-N 3.37Å; N64-S68 WeakPolarHBondContact O-CB 3.39Å; N64-S68 PolarHBondContact O-N 3.32Å; N64-S68 PolarHBondContact O-OG 2.91Å
65A95.2Very high94.9Very high5 Ų542.2 Ų42.24%0.04122%0.217CC..Hα-helixtrans-68.3-45.7178.800000112.4F29 N61 V62 Y63 S68 G69 Y70 I73F29-A65 HydrophobicContact CE2-CB 3.64Å; F29-A65 HydrophobicContact CZ-CB 3.47Å; F29-A65 VanDerWaalsContact CZ-CB 3.47Å; N61-A65 WeakPolarHBondContact O-CB 3.29Å; N61-A65 PolarHBondContact O-N 3.42Å; V62-A65 WeakPolarHBondContact O-CB 3.43Å; V62-A65 PolarHBondContact O-N 3.31Å; V62-A65 VanDerWaalsContact O-N 3.12Å; Y63-A65 VanDerWaalsContact C-N 3.25Å; Y63-A65 PolarHBondContact O-N 2.98Å; A65-S68 CarbonylContact O-C 3.5Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-G69 PolarHBondContact O-N 3.33Å; A65-G69 VanDerWaalsContact O-N 3.13Å; A65-Y70 HydrophobicContact CB-CD2 4.16Å; A65-Y70 WeakPolarHBondContact O-CD2 3.39Å; A65-Y70 PolarHBondContact O-N 3.25Å; A65-I73 HydrophobicContact CB-CD1 3.79Å; A65-I73 HydrophobicContact CB-CG1 4.23Å
66V92.5Very high95Very high4 Ų439.2 Ų39.22%0.02420%0.204CC..Hα-helixtrans-67.1-38177.4-62.20000111.8M1 V62 Y63 S68 G69 I73 M91 F95 Y97M1-V66 HydrophobicContact CE-CG1 3.76Å; V62-V66 HydrophobicContact CG1-CG1 4.43Å; V62-V66 PolarHBondContact O-N 2.98Å; Y63-V66 WeakPolarHBondContact O-CG2 3.35Å; Y63-V66 PolarHBondContact O-N 3.36Å; V66-S68 VanDerWaalsContact C-N 3.25Å; V66-S68 PolarHBondContact O-N 3Å; V66-G69 PolarHBondContact O-N 3.38Å; V66-I73 HydrophobicContact CB-CD1 4.36Å; V66-I73 HydrophobicContact CG1-CD1 3.46Å; V66-I73 VanDerWaalsContact CG1-CD1 3.46Å; V66-M91 HydrophobicContact CB-CG 4.42Å; V66-M91 HydrophobicContact CG1-CG 4.13Å; V66-M91 HydrophobicContact CG1-SD 4.24Å; V66-M91 HydrophobicContact CG2-CG 3.63Å; V66-M91 HydrophobicContact CG2-SD 3.63Å; V66-F95 HydrophobicContact CB-CB 4.06Å; V66-F95 HydrophobicContact CB-CD1 4.42Å; V66-F95 HydrophobicContact CB-CD2 4.05Å; V66-F95 HydrophobicContact CB-CG 3.93Å; V66-F95 HydrophobicContact CG2-CB 4.44Å; V66-F95 HydrophobicContact CG2-CD1 4.27Å; V66-F95 HydrophobicContact CG2-CD2 3.49Å; V66-F95 VanDerWaalsContact CG2-CD2 3.49Å; V66-F95 HydrophobicContact CG2-CE1 4.4Å; V66-F95 HydrophobicContact CG2-CE2 3.65Å; V66-F95 HydrophobicContact CG2-CG 3.83Å; V66-F95 HydrophobicContact CG2-CZ 4.12Å; V66-Y97 HydrophobicContact CB-CE2 3.88Å; V66-Y97 HydrophobicContact CG1-CD2 4.27Å; V66-Y97 HydrophobicContact CG1-CE2 3.86Å
67C91.1Very high95Very high60 Ų6033.9 Ų33.941%0.40518%0.179SC..Hα-helixtrans-60.9-36174.1-75.90000111.9Y63 G69 F95Y63-C67 VanDerWaalsContact CE1-SG 3.53Å; Y63-C67 VanDerWaalsContact CZ-SG 3.51Å; Y63-C67 WeakPolarHBondContact O-CB 3.44Å; Y63-C67 PolarHBondContact O-N 3.34Å; Y63-C67 PolarHBondContact O-SG 2.92Å; C67-G69 VanDerWaalsContact C-N 3.26Å; C67-G69 PolarHBondContact O-N 3.06Å; C67-F95 VanDerWaalsContact SG-CZ 3.51Å
68S90.9Very high94.8Very high51 Ų5131.6 Ų31.636%0.35717%0.173SC..THydrogen-bonded Turntrans-82.5-2.6176.3-54.50000113.3N64 A65 V66 Y70 S152N64-S68 WeakPolarHBondContact O-CB 3.39Å; N64-S68 PolarHBondContact O-N 3.32Å; N64-S68 PolarHBondContact O-OG 2.91Å; A65-S68 CarbonylContact O-C 3.5Å; A65-S68 PolarHBondContact O-N 3.48Å; V66-S68 VanDerWaalsContact C-N 3.25Å; V66-S68 PolarHBondContact O-N 3Å; S68-Y70 VanDerWaalsContact CB-CE2 3.49Å; S68-S152 PolarHBondContact O-OG 3.35Å
69G86.3Confident94.7Very high5 Ų531.8 Ų31.85%0.05218%0.175CC..THydrogen-bonded Turntrans77.819.6179.600000115.8A65 V66 C67 S71 Y97 S152 Y155A65-G69 PolarHBondContact O-N 3.33Å; A65-G69 VanDerWaalsContact O-N 3.13Å; V66-G69 PolarHBondContact O-N 3.38Å; C67-G69 VanDerWaalsContact C-N 3.26Å; C67-G69 PolarHBondContact O-N 3.06Å; G69-S71 PolarHBondContact O-N 2.87Å; G69-Y97 WeakPolarHBondContact CA-OH 3.26Å; G69-Y97 PolarHBondContact O-OH 2.66Å; G69-S152 WeakPolarHBondContact CA-OG 3.39Å; G69-Y155 VanDerWaalsContact C-CE2 3.41Å; G69-Y155 WeakPolarHBondContact O-CD2 3.4Å; G69-Y155 WeakPolarHBondContact O-CE2 3.48Å
70Y90.1Very high94.6Very high73 Ų7330 Ų3029%0.28617%0.167SC..  trans-59125.6-178-77.6-87.2000113.9K27 A65 S68 I73 Y97 Y155K27-Y70 HydrophobicContact CD-CD1 4.19Å; K27-Y70 HydrophobicContact CD-CE1 4.4Å; K27-Y70 HydrophobicContact CG-CD1 3.55Å; K27-Y70 HydrophobicContact CG-CE1 4.23Å; K27-Y70 HydrophobicContact CG-CG 3.9Å; A65-Y70 HydrophobicContact CB-CD2 4.16Å; A65-Y70 WeakPolarHBondContact O-CD2 3.39Å; A65-Y70 PolarHBondContact O-N 3.25Å; S68-Y70 VanDerWaalsContact CB-CE2 3.49Å; Y70-I73 WeakPolarHBondContact O-CD1 3.49Å; Y70-I73 VanDerWaalsContact O-CG1 3.22Å; Y70-I73 WeakPolarHBondContact O-CG1 3.23Å; Y70-Y97 PolarHBondContact N-OH 3.39Å; Y70-Y97 WeakPolarHBondContact O-CE1 3.36Å; Y70-Y97 PolarHBondContact O-OH 2.82Å; Y70-Y155 VanDerWaalsContact CA-OH 3.3Å; Y70-Y155 WeakPolarHBondContact CA-OH 3.38Å; Y70-Y155 AromaticContact CD1-CE2 3.97Å; Y70-Y155 HydrophobicContact CD1-CE2 3.97Å; Y70-Y155 AromaticContact CD1-CZ 3.86Å; Y70-Y155 WeakPolarHBondContact CD1-OH 3.11Å; Y70-Y155 HydrophobicContact CE1-CE2 4.43Å; Y70-Y155 HydrophobicContact CG-CE2 4.04Å
71S89Confident94.4Very high58 Ų5829.7 Ų29.741%0.40616%0.16SC..SBendtrans-144.1132.2177.2-167.20000112.1G69 Y155G69-S71 PolarHBondContact O-N 2.87Å; S71-Y155 PolarHBondContact N-OH 3.36Å
72P92.6Very high94.2Very high20 Ų2030 Ų3013%0.1317%0.166CC..SBendcis-80.1145.7-432.4-32.9000112.5F2 F23 A26 K27F2-P72 HydrophobicContact CD2-CB 3.89Å; F2-P72 HydrophobicContact CE2-CB 3.63Å; F2-P72 HydrophobicContact CE2-CG 4.23Å; F23-P72 HydrophobicContact CB-CG 3.91Å; F23-P72 HydrophobicContact CD2-CG 4.42Å; F23-P72 HydrophobicContact CG-CG 4.16Å; A26-P72 VanDerWaalsContact CA-O 3.25Å; A26-P72 WeakPolarHBondContact CA-O 3.47Å; A26-P72 HydrophobicContact CB-CG 3.81Å; K27-P72 PolarHBondContact N-O 2.9Å; K27-P72 VanDerWaalsContact N-O 3.09Å
73I95.9Very high93.9Very high0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-93.9135.4164.3-72.5160.7000109M1 F2 F29 V62 A65 V66 Y70 I75 Y97M1-I73 CarbonylContact C-O 3.52Å; M1-I73 WeakPolarHBondContact CA-O 3.43Å; M1-I73 HydrophobicContact CE-CG2 4.3Å; M1-I73 HydrophobicContact CG-CB 4.44Å; M1-I73 HydrophobicContact CG-CG2 4.25Å; F2-I73 PolarHBondContact N-O 3.49Å; F29-I73 HydrophobicContact CD2-CG2 3.91Å; F29-I73 HydrophobicContact CE2-CG1 4.33Å; F29-I73 HydrophobicContact CE2-CG2 4.02Å; V62-I73 HydrophobicContact CG1-CG2 4.16Å; A65-I73 HydrophobicContact CB-CD1 3.79Å; A65-I73 HydrophobicContact CB-CG1 4.23Å; V66-I73 HydrophobicContact CB-CD1 4.36Å; V66-I73 HydrophobicContact CG1-CD1 3.46Å; V66-I73 VanDerWaalsContact CG1-CD1 3.46Å; Y70-I73 WeakPolarHBondContact O-CD1 3.49Å; Y70-I73 VanDerWaalsContact O-CG1 3.22Å; Y70-I73 WeakPolarHBondContact O-CG1 3.23Å; I73-I75 HydrophobicContact CG2-CD1 3.61Å; I73-I75 HydrophobicContact CG2-CG1 4.45Å; I73-Y97 HydrophobicContact CD1-CE1 4.25Å
74V98.2Very high93.8Very high0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-118.3123.2177.5-173.90000109F2 L4 I19 A26 K27 I28 F29F2-V74 HydrophobicContact CB-CG1 4.35Å; F2-V74 HydrophobicContact CB-CG2 4.33Å; F2-V74 HydrophobicContact CD2-CG2 4.17Å; F2-V74 CarbonylContact O-C 3.56Å; F2-V74 WeakPolarHBondContact O-CA 3.25Å; L4-V74 HydrophobicContact CD1-CG1 4.21Å; L4-V74 HydrophobicContact CD2-CG1 4.36Å; L4-V74 HydrophobicContact CG-CG1 4.08Å; I19-V74 HydrophobicContact CB-CG2 4.29Å; I19-V74 HydrophobicContact CD1-CG1 4.24Å; I19-V74 HydrophobicContact CD1-CG2 4.41Å; I19-V74 HydrophobicContact CG2-CG2 3.55Å; A26-V74 HydrophobicContact CB-CG2 4.36Å; K27-V74 PolarHBondContact O-N 3.3Å; I28-V74 CarbonylContact C-O 3.59Å; I28-V74 WeakPolarHBondContact CA-O 3.25Å; I28-V74 HydrophobicContact CG1-CB 4.11Å; I28-V74 HydrophobicContact CG1-CG2 4.48Å; F29-V74 PolarHBondContact N-O 3.29Å
75I98.3Very high93.7Very high0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-101.2102.6176.2-47.8-56.2000107.9M1 F2 I3 L4 F29 V62 I73 N77 Y88M1-I75 HydrophobicContact CG-CG1 4.18Å; M1-I75 HydrophobicContact SD-CG1 4.18Å; F2-I75 PolarHBondContact O-N 3.13Å; I3-I75 HydrophobicContact CG1-CG1 4.27Å; L4-I75 VanDerWaalsContact CB-O 3.31Å; L4-I75 WeakPolarHBondContact CB-O 3.39Å; L4-I75 WeakPolarHBondContact CG-O 3.37Å; L4-I75 PolarHBondContact N-O 3.26Å; F29-I75 HydrophobicContact CD2-CD1 4.49Å; V62-I75 HydrophobicContact CB-CD1 4.32Å; V62-I75 HydrophobicContact CG1-CD1 3.7Å; V62-I75 HydrophobicContact CG2-CD1 3.55Å; I73-I75 HydrophobicContact CG2-CD1 3.61Å; I73-I75 HydrophobicContact CG2-CG1 4.45Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 HydrophobicContact CG2-CB 4.23Å; I75-N77 PolarHBondContact O-N 3.28Å; I75-Y88 HydrophobicContact CD1-CD1 3.77Å; I75-Y88 HydrophobicContact CD1-CE1 3.97Å; I75-Y88 HydrophobicContact CG1-CD1 3.8Å; I75-Y88 HydrophobicContact CG1-CE1 4.23Å; I75-Y88 HydrophobicContact CG1-CG 4.06Å; I75-Y88 HydrophobicContact CG2-CD1 3.96Å; I75-Y88 HydrophobicContact CG2-CD2 3.92Å; I75-Y88 HydrophobicContact CG2-CE1 3.7Å; I75-Y88 HydrophobicContact CG2-CE2 3.66Å; I75-Y88 HydrophobicContact CG2-CG 4.07Å
76D97.7Very high93.7Very high11 Ų1138.9 Ų38.96%0.05919%0.192CC..  trans-93.153.4-178.3-169.512.1000111.8L4 K12 S13 S16 I28 F29 S30L4-D76 HydrophobicContact CD1-CB 4.13Å; K12-D76 WeakPolarHBondContact CB-OD1 3.31Å; S13-D76 WeakPolarHBondContact CA-OD2 3.47Å; S13-D76 WeakPolarHBondContact CB-OD2 3.44Å; S13-D76 PolarHBondContact OG-OD2 3.15Å; S16-D76 PolarHBondContact OG-OD2 2.97Å; I28-D76 HydrophobicContact CG2-CB 3.91Å; F29-D76 PolarHBondContact O-N 3.34Å; S30-D76 PolarHBondContact OG-O 3.37Å
77N96.5Very high93.7Very high10 Ų1042.8 Ų42.85%0.05321%0.207CC..SBendtrans-106.7170.4175.5-78-36.1000111.2L4 K12 A31 I75 Y88L4-N77 VanDerWaalsContact O-O 3.09Å; K12-N77 VanDerWaalsContact CD-O 3.27Å; K12-N77 WeakPolarHBondContact CD-O 3.04Å; K12-N77 VanDerWaalsContact CE-O 3.23Å; K12-N77 WeakPolarHBondContact CE-O 3.17Å; A31-N77 WeakPolarHBondContact CB-OD1 2.86Å; A31-N77 PolarHBondContact N-OD1 3.21Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 HydrophobicContact CG2-CB 4.23Å; I75-N77 PolarHBondContact O-N 3.28Å; N77-Y88 PolarHBondContact ND2-OH 2.87Å
78T94.6Very high93.9Very high28 Ų2840 Ų4017%0.17219%0.189CC..  trans-66.4-39.7179.557.90000112.8R5 G6 P8 T80 E84 K131R5-T78 CarbonylContact C-O 3.57Å; R5-T78 WeakPolarHBondContact CA-O 3.48Å; G6-T78 PolarHBondContact N-O 3.09Å; G6-T78 WeakPolarHBondContact O-CA 3.37Å; P8-T78 HydrophobicContact CG-CG2 4.27Å; T78-T80 PolarHBondContact O-N 3.46Å; T78-E84 PolarHBondContact OG1-OE2 3.01Å; T78-K131 HydrophobicContact CG2-CD 4.48Å; T78-K131 PolarHBondContact OG1-NZ 3.39Å
79N95.8Very high94.1Very high4 Ų438.1 Ų38.12%0.02118%0.175CC..  trans42.240.7178.4-63.4-49000112.8I3 L4 R5 R81 E84 A85I3-N79 HydrophobicContact CG2-CB 4.26Å; I3-N79 WeakPolarHBondContact CG2-ND2 3.07Å; L4-N79 WeakPolarHBondContact O-CB 3.44Å; L4-N79 PolarHBondContact O-ND2 2.8Å; R5-N79 HydrophobicContact CB-CB 4.44Å; R5-N79 HydrophobicContact CG-CB 3.85Å; R5-N79 PolarHBondContact NE-O 3.43Å; R5-N79 PolarHBondContact NH2-O 2.95Å; N79-R81 VanDerWaalsContact C-N 3.32Å; N79-R81 PolarHBondContact O-N 2.72Å; N79-E84 WeakPolarHBondContact CA-OE2 3.4Å; N79-E84 PolarHBondContact N-OE2 3.3Å; N79-E84 PolarHBondContact OD1-O 2.61Å; N79-A85 HydrophobicContact CB-CB 4.33Å
80T94.6Very high94.4Very high3 Ų341 Ų412%0.01819%0.187CC..  trans-71-32.2-171.938.30000112R5 T78 E84 K131 F135 E136R5-T80 PolarHBondContact NH2-O 3.45Å; T78-T80 PolarHBondContact O-N 3.46Å; T80-E84 PolarHBondContact N-OE2 2.98Å; T80-E84 PolarHBondContact OG1-OE1 2.77Å; T80-E84 PolarHBondContact OG1-OE2 2.94Å; T80-K131 HydrophobicContact CG2-CB 4.3Å; T80-F135 HydrophobicContact CG2-CD2 3.94Å; T80-E136 PolarHBondContact O-N 3.27Å
81R94.6Very high94.5Very high68 Ų6838.1 Ų38.126%0.25718%0.176SC..SBendtrans-102.3154.4175.3-63.7-75.4-155.9-171.31.2111.8N79 W83 E84 A85 N134 E136N79-R81 VanDerWaalsContact C-N 3.32Å; N79-R81 PolarHBondContact O-N 2.72Å; R81-W83 VanDerWaalsContact C-N 3.3Å; R81-W83 VanDerWaalsContact CB-CD1 3.48Å; R81-W83 HydrophobicContact CB-CD2 4.39Å; R81-W83 HydrophobicContact CB-CG 4.16Å; R81-W83 VanDerWaalsContact CB-NE1 3.26Å; R81-W83 PolarHBondContact O-N 3.34Å; R81-E84 HydrophobicContact CB-CG 4.13Å; R81-E84 WeakPolarHBondContact CB-OE1 3.35Å; R81-E84 WeakPolarHBondContact CG-OE1 3.5Å; R81-E84 PolarHBondContact N-OE1 3.47Å; R81-E84 VanDerWaalsContact N-OE1 3.12Å; R81-E84 WeakPolarHBondContact O-CB 3.3Å; R81-E84 PolarHBondContact O-N 2.67Å; R81-A85 PolarHBondContact O-N 3.33Å; R81-N134 WeakPolarHBondContact CD-O 3.42Å; R81-N134 VanDerWaalsContact CZ-CB 3.42Å; R81-N134 PolarHBondContact NH1-O 3.25Å; R81-N134 PolarHBondContact NH2-OD1 2.94Å; R81-E136 VanDerWaalsContact CD-CD 3.44Å; R81-E136 WeakPolarHBondContact CD-OE1 3.36Å; R81-E136 IonicContact CZ-OE1 3.65Å; R81-E136 IonicContact NE-OE1 2.7Å; R81-E136 IonicContact NH1-OE1 3.06Å; R81-E136 PolarHBondContact NH1-OE1 2.88Å
82S92.1Very high94.6Very high55 Ų5535.4 Ų35.439%0.38516%0.157SC..Hα-helixtrans-56.6-41174.451.50000113.1E84 A85 R86 E136S82-E84 VanDerWaalsContact C-N 3.34Å; S82-E84 PolarHBondContact O-N 3.19Å; S82-A85 PolarHBondContact O-N 3.13Å; S82-R86 WeakPolarHBondContact O-CB 3.24Å; S82-R86 PolarHBondContact O-N 2.94Å; S82-E136 VanDerWaalsContact CB-OE2 3.29Å; S82-E136 WeakPolarHBondContact CB-OE2 3.39Å; S82-E136 PolarHBondContact N-OE2 3.44Å; S82-E136 PolarHBondContact OG-OE2 3.23Å
83W92.5Very high94.3Very high175 Ų17541.4 Ų41.466%0.66318%0.177SC*.Hα-helixtrans-67-31.2178.966.1-99.5000113.2R81 A85 R86R81-W83 VanDerWaalsContact C-N 3.3Å; R81-W83 VanDerWaalsContact CB-CD1 3.48Å; R81-W83 HydrophobicContact CB-CD2 4.39Å; R81-W83 HydrophobicContact CB-CG 4.16Å; R81-W83 VanDerWaalsContact CB-NE1 3.26Å; R81-W83 PolarHBondContact O-N 3.34Å; W83-A85 VanDerWaalsContact C-N 3.34Å; W83-R86 PolarHBondContact O-N 3.47Å
84E94.1Very high93.8Very high32 Ų3249.2 Ų49.215%0.1521%0.206CC..Hα-helixtrans-64-42.4175.3-68.6170.2-129.200110.4T78 N79 T80 R81 S82T78-E84 PolarHBondContact OG1-OE2 3.01Å; N79-E84 WeakPolarHBondContact CA-OE2 3.4Å; N79-E84 PolarHBondContact N-OE2 3.3Å; N79-E84 PolarHBondContact OD1-O 2.61Å; T80-E84 PolarHBondContact N-OE2 2.98Å; T80-E84 PolarHBondContact OG1-OE1 2.77Å; T80-E84 PolarHBondContact OG1-OE2 2.94Å; R81-E84 HydrophobicContact CB-CG 4.13Å; R81-E84 WeakPolarHBondContact CB-OE1 3.35Å; R81-E84 WeakPolarHBondContact CG-OE1 3.5Å; R81-E84 PolarHBondContact N-OE1 3.47Å; R81-E84 VanDerWaalsContact N-OE1 3.12Å; R81-E84 WeakPolarHBondContact O-CB 3.3Å; R81-E84 PolarHBondContact O-N 2.67Å; S82-E84 VanDerWaalsContact C-N 3.34Å; S82-E84 PolarHBondContact O-N 3.19Å
85A95.2Very high93.3Very high1 Ų151.7 Ų51.71%0.00822%0.217CC..Hα-helixtrans-77.4-24.4179.100000113.2I3 N79 R81 S82 W83 Y87 Y88 T89 M101 I138I3-A85 HydrophobicContact CG2-CB 4.38Å; N79-A85 HydrophobicContact CB-CB 4.33Å; R81-A85 PolarHBondContact O-N 3.33Å; S82-A85 PolarHBondContact O-N 3.13Å; W83-A85 VanDerWaalsContact C-N 3.34Å; A85-Y87 VanDerWaalsContact C-N 3.29Å; A85-Y87 PolarHBondContact O-N 3.17Å; A85-Y88 PolarHBondContact O-N 2.88Å; A85-T89 PolarHBondContact O-N 2.72Å; A85-M101 HydrophobicContact CB-CE 4.22Å; A85-I138 HydrophobicContact CB-CD1 3.56Å
86R94.3Very high92.4Very high158 Ų15855.1 Ų55.160%0.59623%0.233SC*.Hα-helixtrans-57.8-38.6-171.5-176.3176.9-179.6-175.3-1.7113.1S82 W83 Y88 T89 E90S82-R86 WeakPolarHBondContact O-CB 3.24Å; S82-R86 PolarHBondContact O-N 2.94Å; W83-R86 PolarHBondContact O-N 3.47Å; R86-Y88 VanDerWaalsContact C-N 3.28Å; R86-Y88 PolarHBondContact O-N 2.93Å; R86-T89 WeakPolarHBondContact CA-OG1 3.18Å; R86-T89 PolarHBondContact O-N 3.03Å; R86-T89 PolarHBondContact O-OG1 2.99Å; R86-T89 VanDerWaalsContact O-OG1 3.12Å; R86-E90 HydrophobicContact CG-CG 4.11Å; R86-E90 IonicContact NE-OE1 2.86Å; R86-E90 WeakPolarHBondContact O-CB 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.46Å; R86-E90 PolarHBondContact O-N 2.67Å
87Y92.8Very high91.8Very high86 Ų8656.1 Ų56.134%0.33724%0.236SC..Hα-helixtrans-56-46.7177.2-179.9-91.3000111.2H59 A85 M91H59-Y87 HydrophobicContact CB-CD1 4.24Å; H59-Y87 HydrophobicContact CB-CE1 3.48Å; H59-Y87 VanDerWaalsContact CB-CE1 3.48Å; H59-Y87 HydrophobicContact CB-CE2 4.24Å; H59-Y87 VanDerWaalsContact CB-CZ 3.49Å; H59-Y87 AromaticContact CD2-CD1 3.34Å; H59-Y87 WeakPolarHBondContact CD2-CD1 3.34Å; H59-Y87 AromaticContact CD2-CE1 3.51Å; H59-Y87 AromaticContact CD2-CG 3.94Å; H59-Y87 AromaticContact CE1-CG 3.9Å; H59-Y87 AromaticContact CG-CD1 3.62Å; H59-Y87 AromaticContact CG-CE1 3.39Å; H59-Y87 AromaticContact CG-CZ 3.62Å; H59-Y87 AromaticContact ND1-CD2 3.99Å; H59-Y87 AromaticContact ND1-CE2 3.97Å; H59-Y87 AromaticContact NE2-CD1 3.67Å; H59-Y87 AromaticContact NE2-CG 3.82Å; A85-Y87 VanDerWaalsContact C-N 3.29Å; A85-Y87 PolarHBondContact O-N 3.17Å; Y87-M91 HydrophobicContact CD1-CE 3.99Å; Y87-M91 HydrophobicContact CE1-CE 3.56Å; Y87-M91 HydrophobicContact CE1-SD 4.26Å; Y87-M91 WeakPolarHBondContact O-CB 3.44Å; Y87-M91 PolarHBondContact O-N 3.21Å; Y87-M91 VanDerWaalsContact O-N 3.13Å
88Y96.8Very high91.2Very high3 Ų357.5 Ų57.51%0.01224%0.242CC..Hα-helixtrans-72-37.2-179.4-54.9-69.8000112.7H59 V62 I75 N77 A85 R86 M91 A92H59-Y88 AromaticContact CD2-CE1 3.92Å; H59-Y88 AromaticContact CD2-CZ 3.7Å; H59-Y88 PolarHBondContact CD2-OH 3.21Å; H59-Y88 VanDerWaalsContact CD2-OH 3.27Å; H59-Y88 AromaticContact NE2-CZ 3.83Å; H59-Y88 PolarHBondContact NE2-OH 3.34Å; V62-Y88 HydrophobicContact CB-CE1 4.49Å; V62-Y88 HydrophobicContact CG1-CD1 4.3Å; V62-Y88 HydrophobicContact CG2-CE1 4.06Å; I75-Y88 HydrophobicContact CD1-CD1 3.77Å; I75-Y88 HydrophobicContact CD1-CE1 3.97Å; I75-Y88 HydrophobicContact CG1-CD1 3.8Å; I75-Y88 HydrophobicContact CG1-CE1 4.23Å; I75-Y88 HydrophobicContact CG1-CG 4.06Å; I75-Y88 HydrophobicContact CG2-CD1 3.96Å; I75-Y88 HydrophobicContact CG2-CD2 3.92Å; I75-Y88 HydrophobicContact CG2-CE1 3.7Å; I75-Y88 HydrophobicContact CG2-CE2 3.66Å; I75-Y88 HydrophobicContact CG2-CG 4.07Å; N77-Y88 PolarHBondContact ND2-OH 2.87Å; A85-Y88 PolarHBondContact O-N 2.88Å; R86-Y88 VanDerWaalsContact C-N 3.28Å; R86-Y88 PolarHBondContact O-N 2.93Å; Y88-M91 HydrophobicContact CD1-CE 3.82Å; Y88-M91 PolarHBondContact O-N 3.23Å; Y88-A92 VanDerWaalsContact O-CB 3.27Å; Y88-A92 WeakPolarHBondContact O-CB 3.46Å; Y88-A92 PolarHBondContact O-N 2.72Å
89T94.4Very high91Very high10 Ų1056.5 Ų56.56%0.06124%0.236CC..Hα-helixtrans-68.9-40177.960.40000112.2I3 A85 R86 A92 R93 V99 M101 Y453I3-T89 HydrophobicContact CD1-CG2 3.73Å; A85-T89 PolarHBondContact O-N 2.72Å; R86-T89 WeakPolarHBondContact CA-OG1 3.18Å; R86-T89 PolarHBondContact O-N 3.03Å; R86-T89 PolarHBondContact O-OG1 2.99Å; R86-T89 VanDerWaalsContact O-OG1 3.12Å; T89-A92 PolarHBondContact O-N 3.25Å; T89-R93 WeakPolarHBondContact O-CB 3.35Å; T89-R93 PolarHBondContact O-N 3.41Å; T89-V99 HydrophobicContact CG2-CG1 4.32Å; T89-V99 HydrophobicContact CG2-CG2 4.46Å; T89-M101 HydrophobicContact CG2-CE 3.46Å; T89-M101 VanDerWaalsContact CG2-CE 3.46Å; T89-Y453 HydrophobicContact CG2-CG 4.37Å
90E92.5Very high90.7Very high67 Ų6758.9 Ų58.931%0.31325%0.248SC..Hα-helixtrans-64.4-41.4174.8-71.1-69.9177.700111.8R86 R93 R94R86-E90 HydrophobicContact CG-CG 4.11Å; R86-E90 IonicContact NE-OE1 2.86Å; R86-E90 WeakPolarHBondContact O-CB 3.34Å; R86-E90 WeakPolarHBondContact O-CG 3.46Å; R86-E90 PolarHBondContact O-N 2.67Å; E90-R93 PolarHBondContact O-N 3.18Å; E90-R93 IonicContact OE2-CZ 3.25Å; E90-R93 IonicContact OE2-NE 2.72Å; E90-R93 PolarHBondContact OE2-NE 3.29Å; E90-R93 IonicContact OE2-NH2 3.36Å; E90-R93 PolarHBondContact OE2-NH2 2.93Å; E90-R94 WeakPolarHBondContact O-CB 3.36Å; E90-R94 PolarHBondContact O-N 3.21Å
91M92.2Very high90.5Very high12 Ų1260.3 Ų60.36%0.05926%0.255CS..Hα-helixtrans-64.1-45174-177168.941.200111.2M1 V62 Y63 V66 Y87 Y88 R93 R94 F95M1-M91 HydrophobicContact CE-CE 4.47Å; V62-M91 HydrophobicContact CB-CE 3.79Å; V62-M91 HydrophobicContact CB-SD 4.44Å; V62-M91 HydrophobicContact CG1-CE 3.17Å; V62-M91 HydrophobicContact CG1-SD 3.96Å; Y63-M91 HydrophobicContact CD2-SD 4.36Å; V66-M91 HydrophobicContact CB-CG 4.42Å; V66-M91 HydrophobicContact CG1-CG 4.13Å; V66-M91 HydrophobicContact CG1-SD 4.24Å; V66-M91 HydrophobicContact CG2-CG 3.63Å; V66-M91 HydrophobicContact CG2-SD 3.63Å; Y87-M91 HydrophobicContact CD1-CE 3.99Å; Y87-M91 HydrophobicContact CE1-CE 3.56Å; Y87-M91 HydrophobicContact CE1-SD 4.26Å; Y87-M91 WeakPolarHBondContact O-CB 3.44Å; Y87-M91 PolarHBondContact O-N 3.21Å; Y87-M91 VanDerWaalsContact O-N 3.13Å; Y88-M91 HydrophobicContact CD1-CE 3.82Å; Y88-M91 PolarHBondContact O-N 3.23Å; M91-R93 VanDerWaalsContact C-N 3.32Å; M91-R93 PolarHBondContact O-N 3.18Å; M91-R94 PolarHBondContact O-N 3.13Å; M91-F95 HydrophobicContact CG-CD2 3.96Å; M91-F95 HydrophobicContact CG-CE2 4.24Å; M91-F95 VanDerWaalsContact O-CD2 3.31Å; M91-F95 WeakPolarHBondContact O-CD2 3.18Å; M91-F95 PolarHBondContact O-N 3.06Å
92A90.7Very high90.5Very high0 Ų058.5 Ų58.50%025%0.251CS..Hα-helixtrans-58.2-44.4175.300000111.8M1 Y88 T89 F95 H96 Y97 V99M1-A92 HydrophobicContact CE-CB 4.16Å; M1-A92 HydrophobicContact SD-CB 4Å; Y88-A92 VanDerWaalsContact O-CB 3.27Å; Y88-A92 WeakPolarHBondContact O-CB 3.46Å; Y88-A92 PolarHBondContact O-N 2.72Å; T89-A92 PolarHBondContact O-N 3.25Å; A92-F95 CarbonylContact O-C 3.55Å; A92-F95 PolarHBondContact O-N 3.03Å; A92-H96 CarbonylContact O-C 3.45Å; A92-H96 PolarHBondContact O-N 3.07Å; A92-Y97 PolarHBondContact O-N 3.36Å; A92-V99 HydrophobicContact CB-CG2 3.35Å
93R86.8Confident90.5Very high146 Ų14658 Ų5855%0.55124%0.244SC*.Hα-helixtrans-60.1-48.2175.6-175.3-175.966.277.80111.9T89 E90 M91 F95 H96T89-R93 WeakPolarHBondContact O-CB 3.35Å; T89-R93 PolarHBondContact O-N 3.41Å; E90-R93 PolarHBondContact O-N 3.18Å; E90-R93 IonicContact OE2-CZ 3.25Å; E90-R93 IonicContact OE2-NE 2.72Å; E90-R93 PolarHBondContact OE2-NE 3.29Å; E90-R93 IonicContact OE2-NH2 3.36Å; E90-R93 PolarHBondContact OE2-NH2 2.93Å; M91-R93 VanDerWaalsContact C-N 3.32Å; M91-R93 PolarHBondContact O-N 3.18Å; R93-F95 VanDerWaalsContact C-N 3.3Å; R93-F95 PolarHBondContact O-N 3.44Å; R93-H96 PolarHBondContact O-N 2.9Å
94R86.1Confident90.7Very high164 Ų16449.8 Ų49.862%0.61921%0.213SC*.Hα-helixtrans-61.5-36.6-179.9-179176.2178.4176.1-1112.7E90 M91E90-R94 WeakPolarHBondContact O-CB 3.36Å; E90-R94 PolarHBondContact O-N 3.21Å; M91-R94 PolarHBondContact O-N 3.13Å
95F86Confident90.6Very high53 Ų5355 Ų5523%0.23224%0.238CC..THydrogen-bonded Turntrans-104.818.8-178.7-66.8-87.2000113Y63 V66 C67 M91 A92 R93 Y97Y63-F95 HydrophobicContact CD2-CE2 4.24Å; Y63-F95 HydrophobicContact CD2-CZ 4.41Å; Y63-F95 AromaticContact CE2-CE2 3.92Å; Y63-F95 HydrophobicContact CE2-CE2 3.92Å; Y63-F95 AromaticContact CE2-CZ 3.8Å; Y63-F95 HydrophobicContact CE2-CZ 3.8Å; V66-F95 HydrophobicContact CB-CB 4.06Å; V66-F95 HydrophobicContact CB-CD1 4.42Å; V66-F95 HydrophobicContact CB-CD2 4.05Å; V66-F95 HydrophobicContact CB-CG 3.93Å; V66-F95 HydrophobicContact CG2-CB 4.44Å; V66-F95 HydrophobicContact CG2-CD1 4.27Å; V66-F95 HydrophobicContact CG2-CD2 3.49Å; V66-F95 VanDerWaalsContact CG2-CD2 3.49Å; V66-F95 HydrophobicContact CG2-CE1 4.4Å; V66-F95 HydrophobicContact CG2-CE2 3.65Å; V66-F95 HydrophobicContact CG2-CG 3.83Å; V66-F95 HydrophobicContact CG2-CZ 4.12Å; C67-F95 VanDerWaalsContact SG-CZ 3.51Å; M91-F95 HydrophobicContact CG-CD2 3.96Å; M91-F95 HydrophobicContact CG-CE2 4.24Å; M91-F95 VanDerWaalsContact O-CD2 3.31Å; M91-F95 WeakPolarHBondContact O-CD2 3.18Å; M91-F95 PolarHBondContact O-N 3.06Å; A92-F95 CarbonylContact O-C 3.55Å; A92-F95 PolarHBondContact O-N 3.03Å; R93-F95 VanDerWaalsContact C-N 3.3Å; R93-F95 PolarHBondContact O-N 3.44Å; F95-Y97 VanDerWaalsContact C-N 3.3Å; F95-Y97 HydrophobicContact CB-CD2 3.83Å; F95-Y97 HydrophobicContact CB-CE2 3.82Å; F95-Y97 VanDerWaalsContact O-CD2 3.22Å; F95-Y97 WeakPolarHBondContact O-CD2 3.43Å; F95-Y97 WeakPolarHBondContact O-CE2 3.48Å; F95-Y97 PolarHBondContact O-N 3.29Å
96H80.7Confident90.6Very high71 Ų7156.4 Ų56.433%0.32925%0.246SC..THydrogen-bonded Turntrans58.830.9172.3-50.1-50.2000116A92 R93 A149 I235 I250A92-H96 CarbonylContact O-C 3.45Å; A92-H96 PolarHBondContact O-N 3.07Å; R93-H96 PolarHBondContact O-N 2.9Å; H96-A149 HydrophobicContact CB-CB 3.56Å; H96-I235 VanDerWaalsContact CE1-CD1 3.42Å; H96-I235 WeakPolarHBondContact CE1-CD1 3.41Å; H96-I250 HydrophobicContact CB-CD1 4.01Å
97Y85.4Confident90.8Very high32 Ų3254.6 Ų54.613%0.12525%0.254CS..PPolyproline II helixtrans-84.4136.7171.1-73.6-97.5000111.4M1 V66 G69 Y70 I73 A92 F95M1-Y97 HydrophobicContact CB-CD1 4.45Å; V66-Y97 HydrophobicContact CB-CE2 3.88Å; V66-Y97 HydrophobicContact CG1-CD2 4.27Å; V66-Y97 HydrophobicContact CG1-CE2 3.86Å; G69-Y97 WeakPolarHBondContact CA-OH 3.26Å; G69-Y97 PolarHBondContact O-OH 2.66Å; Y70-Y97 PolarHBondContact N-OH 3.39Å; Y70-Y97 WeakPolarHBondContact O-CE1 3.36Å; Y70-Y97 PolarHBondContact O-OH 2.82Å; I73-Y97 HydrophobicContact CD1-CE1 4.25Å; A92-Y97 PolarHBondContact O-N 3.36Å; F95-Y97 VanDerWaalsContact C-N 3.3Å; F95-Y97 HydrophobicContact CB-CD2 3.83Å; F95-Y97 HydrophobicContact CB-CE2 3.82Å; F95-Y97 VanDerWaalsContact O-CD2 3.22Å; F95-Y97 WeakPolarHBondContact O-CD2 3.43Å; F95-Y97 WeakPolarHBondContact O-CE2 3.48Å; F95-Y97 PolarHBondContact O-N 3.29Å
98F84Confident91Very high39 Ų3954 Ų5417%0.17125%0.252CS..PPolyproline II helixtrans-72.3137.7160.1-64.2-44.5000111.1M1 F146 P148 I250M1-F98 PolarHBondContact N-O 3.49Å; F98-F146 HydrophobicContact CD1-CD1 4.48Å; F98-F146 HydrophobicContact CD1-CG 4.45Å; F98-F146 HydrophobicContact CE1-CB 3.53Å; F98-F146 AromaticContact CE1-CD1 3.6Å; F98-F146 HydrophobicContact CE1-CD1 3.6Å; F98-F146 HydrophobicContact CE1-CD2 4.49Å; F98-F146 HydrophobicContact CE1-CE1 4.41Å; F98-F146 AromaticContact CE1-CG 3.65Å; F98-F146 HydrophobicContact CE1-CG 3.65Å; F98-F146 HydrophobicContact CE2-CB 3.82Å; F98-F146 HydrophobicContact CZ-CB 3.13Å; F98-F146 HydrophobicContact CZ-CD1 4.1Å; F98-F146 AromaticContact CZ-CG 3.82Å; F98-F146 HydrophobicContact CZ-CG 3.82Å; F98-P148 HydrophobicContact CD2-CB 3.86Å; F98-P148 HydrophobicContact CE2-CB 3.26Å; F98-P148 HydrophobicContact CE2-CG 3.84Å; F98-P148 HydrophobicContact CZ-CB 4.05Å; F98-I250 HydrophobicContact CE1-CD1 4.1Å; F98-I250 HydrophobicContact CZ-CD1 4.37Å; F98-I250 HydrophobicContact CZ-CG2 4.31Å
99V89Confident90.9Very high8 Ų857.6 Ų57.65%0.04827%0.265CS..BIsolated β-bridgetrans-99.4128.6176.6175.20000109.1M1 I3 T89 A92 M101 Y453M1-V99 WeakPolarHBondContact O-CA 3.3Å; I3-V99 HydrophobicContact CD1-CG1 3.62Å; I3-V99 HydrophobicContact CD1-CG2 4.4Å; I3-V99 HydrophobicContact CG1-CG1 4.11Å; T89-V99 HydrophobicContact CG2-CG1 4.32Å; T89-V99 HydrophobicContact CG2-CG2 4.46Å; A92-V99 HydrophobicContact CB-CG2 3.35Å; V99-M101 HydrophobicContact CG1-CE 3.88Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 HydrophobicContact CG1-SD 4.18Å; V99-Y453 HydrophobicContact CB-CD2 3.71Å; V99-Y453 HydrophobicContact CB-CE2 4.29Å; V99-Y453 HydrophobicContact CB-CG 4.48Å; V99-Y453 HydrophobicContact CG1-CD2 3.72Å; V99-Y453 HydrophobicContact CG1-CE2 4.03Å; V99-Y453 HydrophobicContact CG1-CG 4.33Å
100I89.6Confident91Very high54 Ų5460.9 Ų60.928%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-115.2111.2166.7-60.4175.8000106.3M1 F2 I3 V102M1-I100 PolarHBondContact O-N 2.72Å; F2-I100 WeakPolarHBondContact CA-O 3.45Å; F2-I100 HydrophobicContact CD1-CB 3.83Å; F2-I100 HydrophobicContact CD1-CD1 4.34Å; F2-I100 HydrophobicContact CD1-CG2 4.04Å; F2-I100 HydrophobicContact CE1-CB 4.04Å; F2-I100 HydrophobicContact CE1-CD1 3.68Å; F2-I100 HydrophobicContact CE1-CG1 4.4Å; F2-I100 HydrophobicContact CE1-CG2 4.15Å; F2-I100 HydrophobicContact CZ-CD1 4.22Å; I3-I100 PolarHBondContact N-O 3.38Å; I100-V102 HydrophobicContact CG2-CG2 3.94Å
101M91.8Very high91.2Very high33 Ų3361 Ų6116%0.16328%0.282CS..EExtended strand (participates in β ladder)trans-75.1123.9171.4-65.3-66.4-176.900108.5I3 R5 A85 T89 V99 I138 Y453I3-M101 HydrophobicContact CB-SD 3.72Å; I3-M101 HydrophobicContact CD1-CE 4.01Å; I3-M101 HydrophobicContact CD1-SD 4.22Å; I3-M101 HydrophobicContact CG2-SD 3.87Å; R5-M101 HydrophobicContact CG-SD 4.35Å; A85-M101 HydrophobicContact CB-CE 4.22Å; T89-M101 HydrophobicContact CG2-CE 3.46Å; T89-M101 VanDerWaalsContact CG2-CE 3.46Å; V99-M101 HydrophobicContact CG1-CE 3.88Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 HydrophobicContact CG1-SD 4.18Å; M101-I138 HydrophobicContact CE-CD1 4.4Å; M101-I138 HydrophobicContact CE-CG2 4.15Å; M101-Y453 HydrophobicContact CE-CD1 3.82Å; M101-Y453 HydrophobicContact CE-CE1 3.92Å; M101-Y453 HydrophobicContact CE-CG 4.13Å; M101-Y453 HydrophobicContact CG-CE1 3.79Å; M101-Y453 HydrophobicContact CG-CE2 3.9Å; M101-Y453 VanDerWaalsContact CG-OH 3.3Å; M101-Y453 WeakPolarHBondContact CG-OH 3.46Å
102V92.9Very high91.5Very high30 Ų3061.2 Ų61.218%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-119.3120.3-176.4-176.20000109.2F2 I3 L4 R5 L15 I100F2-V102 HydrophobicContact CB-CG2 4.33Å; F2-V102 HydrophobicContact CD1-CG2 3.76Å; I3-V102 PolarHBondContact O-N 2.75Å; L4-V102 CarbonylContact C-O 3.43Å; L4-V102 WeakPolarHBondContact CA-O 3.42Å; L4-V102 HydrophobicContact CD2-CB 3.56Å; L4-V102 HydrophobicContact CD2-CG1 3.86Å; L4-V102 HydrophobicContact CD2-CG2 4.13Å; R5-V102 PolarHBondContact N-O 3.29Å; L15-V102 HydrophobicContact CD1-CG1 3.9Å; I100-V102 HydrophobicContact CG2-CG2 3.94Å
103I93.8Very high91.8Very high45 Ų4567.7 Ų67.723%0.23132%0.315CS..  trans-109.5128.2173.4-59.4169.2000107.3R5 Q105 F110 F135R5-I103 HydrophobicContact CB-CG1 4.08Å; I103-Q105 PolarHBondContact O-N 2.83Å; I103-Q105 PolarHBondContact O-NE2 2.92Å; I103-F110 HydrophobicContact CG2-CZ 4.37Å; I103-F135 HydrophobicContact CD1-CE1 4.01Å; I103-F135 HydrophobicContact CD1-CZ 3.73Å; I103-F135 HydrophobicContact CG1-CZ 4.06Å; I103-F135 HydrophobicContact CG2-CZ 4.45Å
104P95.2Very high92.3Very high2 Ų261.7 Ų61.71%0.01330%0.295CS..  trans-50.3134.7171.5-25.333000111.6R5 S10 K12 L15 T106 R109R5-P104 WeakPolarHBondContact O-CD 3.4Å; S10-P104 WeakPolarHBondContact O-CB 3.27Å; K12-P104 HydrophobicContact CB-CG 4.49Å; K12-P104 HydrophobicContact CG-CG 3.78Å; L15-P104 HydrophobicContact CD1-CB 4.05Å; L15-P104 HydrophobicContact CD1-CG 4.01Å; P104-T106 VanDerWaalsContact C-N 3.29Å; P104-R109 WeakPolarHBondContact O-CD 3.29Å
105Q92.7Very high92.9Very high142 Ų14253.9 Ų53.966%0.66427%0.266SS*.  trans-95.719.6179.1-62.3-60.3-34.800112.3I103I103-Q105 PolarHBondContact O-N 2.83Å; I103-Q105 PolarHBondContact O-NE2 2.92Å
106T95.9Very high93.4Very high30 Ų3052.6 Ų52.618%0.18427%0.265CS..  trans-60.2142.1175.353.60000109.7S10 P104 W108 R109S10-T106 WeakPolarHBondContact O-CG2 3.42Å; S10-T106 PolarHBondContact O-OG1 2.88Å; P104-T106 VanDerWaalsContact C-N 3.29Å; T106-W108 HydrophobicContact CG2-CH2 4.14Å; T106-W108 HydrophobicContact CG2-CZ2 3.69Å; T106-W108 PolarHBondContact O-N 3.38Å; T106-R109 WeakPolarHBondContact O-CB 3.16Å; T106-R109 WeakPolarHBondContact O-CG 3.49Å; T106-R109 PolarHBondContact O-N 3.46Å; T106-R109 PolarHBondContact O-NH1 3.2Å; T106-R109 WeakPolarHBondContact OG1-CB 3.38Å
107P96.6Very high94.1Very high119 Ų11955.9 Ų55.977%0.77328%0.282SS*.THydrogen-bonded Turntrans-58.1-30.2179.3-27.935.3000113.7
108W97.1Very high94.6Very high74 Ų7460.2 Ų60.228%0.2830%0.298SS..THydrogen-bonded Turntrans-97.211-177.261.883.8000114.3G9 T106 F110 D111 T114 R118G9-W108 PolarHBondContact O-NE1 3.21Å; T106-W108 HydrophobicContact CG2-CH2 4.14Å; T106-W108 HydrophobicContact CG2-CZ2 3.69Å; T106-W108 PolarHBondContact O-N 3.38Å; W108-F110 PolarHBondContact O-N 3.01Å; W108-D111 HydrophobicContact CB-CB 4.18Å; W108-D111 PolarHBondContact O-N 3.04Å; W108-T114 HydrophobicContact CB-CG2 3.42Å; W108-T114 VanDerWaalsContact CB-CG2 3.42Å; W108-T114 HydrophobicContact CD2-CG2 4.21Å; W108-T114 HydrophobicContact CG-CG2 3.47Å; W108-T114 VanDerWaalsContact CG-CG2 3.47Å; W108-R118 VanDerWaalsContact NE1-CD 3.27Å
109R96Very high95Very high78 Ų7859.2 Ų59.229%0.29430%0.295SS..THydrogen-bonded Turntrans-54.7-17.4-172.665.6-174.2177-87.55.5115.8P7 P104 T106P7-R109 VanDerWaalsContact CG-O 3.31Å; P7-R109 WeakPolarHBondContact CG-O 3.4Å; P104-R109 WeakPolarHBondContact O-CD 3.29Å; T106-R109 WeakPolarHBondContact O-CB 3.16Å; T106-R109 WeakPolarHBondContact O-CG 3.49Å; T106-R109 PolarHBondContact O-N 3.46Å; T106-R109 PolarHBondContact O-NH1 3.2Å; T106-R109 WeakPolarHBondContact OG1-CB 3.38Å
110F96Very high95Very high79 Ų7964 Ų6435%0.34632%0.323SS..THydrogen-bonded Turntrans-127.412.8176.8-61-58.6000113.3I103 W108 V132 F135I103-F110 HydrophobicContact CG2-CZ 4.37Å; W108-F110 PolarHBondContact O-N 3.01Å; F110-V132 HydrophobicContact CB-CG1 4.22Å; F110-V132 WeakPolarHBondContact O-CG1 3.37Å; F110-F135 HydrophobicContact CE1-CB 4.25Å; F110-F135 AromaticContact CE1-CD1 3.77Å; F110-F135 HydrophobicContact CE1-CD1 3.77Å; F110-F135 AromaticContact CE1-CD2 3.77Å; F110-F135 HydrophobicContact CE1-CD2 3.77Å; F110-F135 HydrophobicContact CE1-CE1 4.02Å; F110-F135 HydrophobicContact CE1-CE2 4.04Å; F110-F135 AromaticContact CE1-CG 3.64Å; F110-F135 HydrophobicContact CE1-CG 3.64Å; F110-F135 HydrophobicContact CE1-CZ 4.15Å; F110-F135 AromaticContact CZ-CD1 3.84Å; F110-F135 HydrophobicContact CZ-CD1 3.84Å; F110-F135 HydrophobicContact CZ-CD2 4.43Å; F110-F135 AromaticContact CZ-CE1 3.74Å; F110-F135 HydrophobicContact CZ-CE1 3.74Å; F110-F135 HydrophobicContact CZ-CE2 4.36Å; F110-F135 HydrophobicContact CZ-CG 4.19Å; F110-F135 HydrophobicContact CZ-CZ 4.02Å
111D97.7Very high94.8Very high71 Ų7163.3 Ų63.338%0.3832%0.319SS..  trans-91.5102.1175.3172.313.8000109.8W108 E113 T114 L115W108-D111 HydrophobicContact CB-CB 4.18Å; W108-D111 PolarHBondContact O-N 3.04Å; D111-E113 VanDerWaalsContact C-N 3.34Å; D111-E113 PolarHBondContact O-N 3Å; D111-E113 PolarHBondContact OD1-N 3.36Å; D111-T114 PolarHBondContact O-N 3.02Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 WeakPolarHBondContact O-CD1 3.5Å; D111-L115 WeakPolarHBondContact O-CG 3.22Å; D111-L115 PolarHBondContact O-N 3.41Å
112A97.3Very high94.6Very high16 Ų1670.8 Ų70.813%0.13235%0.351CS..Hα-helixtrans-59.3-39.7-169.300000113.7L115 A116 L125 I128 E129A112-L115 PolarHBondContact O-N 2.85Å; A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 2.81Å; A112-L125 HydrophobicContact CB-CD1 4.01Å; A112-L125 WeakPolarHBondContact O-CD1 3.46Å; A112-I128 HydrophobicContact CB-CG2 4.1Å; A112-E129 HydrophobicContact CB-CB 4.47Å; A112-E129 HydrophobicContact CB-CG 3.59Å
113E97.5Very high94.6Very high135 Ų13571.2 Ų71.263%0.63135%0.353SS*.Hα-helixtrans-64.8-47.3178.6-66.4-177-169.600110.7D111 L115 A116 M117D111-E113 VanDerWaalsContact C-N 3.34Å; D111-E113 PolarHBondContact O-N 3Å; D111-E113 PolarHBondContact OD1-N 3.36Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 2.99Å; E113-A116 PolarHBondContact O-N 3.43Å; E113-M117 PolarHBondContact O-N 2.89Å
114T97.5Very high94.6Very high21 Ų2171.8 Ų71.813%0.12936%0.362CS..Hα-helixtrans-65.4-37.9177.7-680000112.6W108 D111 M117 R118W108-T114 HydrophobicContact CB-CG2 3.42Å; W108-T114 VanDerWaalsContact CB-CG2 3.42Å; W108-T114 HydrophobicContact CD2-CG2 4.21Å; W108-T114 HydrophobicContact CG-CG2 3.47Å; W108-T114 VanDerWaalsContact CG-CG2 3.47Å; D111-T114 PolarHBondContact O-N 3.02Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3Å; T114-M117 PolarHBondContact O-N 2.94Å; T114-R118 WeakPolarHBondContact O-CB 3.5Å; T114-R118 WeakPolarHBondContact O-CG 3.1Å; T114-R118 PolarHBondContact O-N 3.35Å; T114-R118 VanDerWaalsContact O-N 3.1Å
115L97.8Very high94.7Very high0 Ų075 Ų750%038%0.379CS..Hα-helixtrans-63-43.5174.5-70.1168000110.9P7 P8 S10 D111 A112 E113 M117 R118 N119 I128 V132P7-L115 HydrophobicContact CB-CD1 4.03Å; P7-L115 HydrophobicContact CG-CD1 3.43Å; P7-L115 VanDerWaalsContact CG-CD1 3.43Å; P7-L115 HydrophobicContact CG-CD2 4.13Å; P7-L115 HydrophobicContact CG-CG 4.42Å; P8-L115 WeakPolarHBondContact O-CD2 3.4Å; S10-L115 VanDerWaalsContact CA-CD2 3.44Å; S10-L115 VanDerWaalsContact N-CD2 3.26Å; D111-L115 WeakPolarHBondContact O-CB 3.35Å; D111-L115 WeakPolarHBondContact O-CD1 3.5Å; D111-L115 WeakPolarHBondContact O-CG 3.22Å; D111-L115 PolarHBondContact O-N 3.41Å; A112-L115 PolarHBondContact O-N 2.85Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 2.99Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 2.92Å; L115-R118 PolarHBondContact O-N 3.38Å; L115-R118 VanDerWaalsContact O-N 3.14Å; L115-N119 WeakPolarHBondContact O-CB 3.19Å; L115-N119 PolarHBondContact O-N 2.86Å; L115-I128 HydrophobicContact CB-CD1 4.44Å; L115-I128 HydrophobicContact CB-CG2 3.65Å; L115-I128 HydrophobicContact CD1-CG2 3.88Å; L115-I128 HydrophobicContact CG-CG2 4.44Å; L115-V132 HydrophobicContact CD1-CG2 3.71Å
116A96.3Very high94.9Very high26 Ų2675.4 Ų75.422%0.21538%0.38CS..Hα-helixtrans-60.9-41.4176.300000111.8A112 E113 R118 N119 L125 I128A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 2.81Å; E113-A116 PolarHBondContact O-N 3.43Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 3.01Å; A116-N119 PolarHBondContact O-ND2 3.09Å; A116-L125 HydrophobicContact CB-CB 4.27Å; A116-L125 HydrophobicContact CB-CD1 3.92Å; A116-I128 VanDerWaalsContact CA-CD1 3.48Å; A116-I128 HydrophobicContact CB-CD1 3.93Å
117M95.7Very high94.8Very high140 Ų14076.9 Ų76.969%0.6939%0.389SS*.Hα-helixtrans-67-28.7175.1-69.8-172.6-73.100114.1E113 T114 L115E113-M117 PolarHBondContact O-N 2.89Å; T114-M117 PolarHBondContact O-N 2.94Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 2.92Å
118R95.3Very high94.9Very high123 Ų12371.2 Ų71.246%0.46435%0.352SS..Hα-helixtrans-98.6-10.2-173.7-75.2179.3159.169.3-3.8114.5W108 T114 L115 A116W108-R118 VanDerWaalsContact NE1-CD 3.27Å; T114-R118 WeakPolarHBondContact O-CB 3.5Å; T114-R118 WeakPolarHBondContact O-CG 3.1Å; T114-R118 PolarHBondContact O-N 3.35Å; T114-R118 VanDerWaalsContact O-N 3.1Å; L115-R118 PolarHBondContact O-N 3.38Å; L115-R118 VanDerWaalsContact O-N 3.14Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 3.01Å
119N92.5Very high94.9Very high18 Ų1871.5 Ų71.510%0.09636%0.357CS..  trans-76.8141-17891.789.5000111.1P8 L115 A116 H121 F122 V123 I128P8-N119 HydrophobicContact CB-CB 3.96Å; L115-N119 WeakPolarHBondContact O-CB 3.19Å; L115-N119 PolarHBondContact O-N 2.86Å; A116-N119 PolarHBondContact O-ND2 3.09Å; N119-H121 PolarHBondContact OD1-N 3.29Å; N119-F122 WeakPolarHBondContact OD1-CA 3.45Å; N119-F122 PolarHBondContact OD1-N 2.92Å; N119-V123 PolarHBondContact ND2-O 3.5Å; N119-V123 PolarHBondContact OD1-N 3.34Å; N119-I128 HydrophobicContact CB-CD1 4.44Å
120V89.4Confident95Very high107 Ų10769.5 Ų69.565%0.64836%0.357SS*.SBendtrans-97.6-7.6-173.8-61.60000113.7
121H86Confident95Very high40 Ų4068.2 Ų68.219%0.18535%0.352CS..SBendtrans-106.313.8-178.1-56.1-62.4000112.5D32 Y36 Y44 N119 V123D32-H121 IonicContact OD2-CD2 2.66Å; D32-H121 IonicContact OD2-NE2 3.57Å; Y36-H121 PolarHBondContact OH-CE1 3.34Å; Y44-H121 AromaticContact CD2-CE1 3.94Å; Y44-H121 AromaticContact CD2-ND1 3.52Å; Y44-H121 HydrophobicContact CE1-CB 3.94Å; Y44-H121 AromaticContact CE1-ND1 3.9Å; Y44-H121 AromaticContact CE2-CE1 3.75Å; Y44-H121 AromaticContact CE2-ND1 3.31Å; Y44-H121 VanDerWaalsContact CE2-ND1 3.31Å; Y44-H121 WeakPolarHBondContact CE2-ND1 3.48Å; Y44-H121 AromaticContact CG-ND1 3.89Å; Y44-H121 AromaticContact CZ-CG 3.86Å; Y44-H121 AromaticContact CZ-ND1 3.55Å; N119-H121 PolarHBondContact OD1-N 3.29Å; H121-V123 HydrophobicContact CB-CG2 4.25Å; H121-V123 PolarHBondContact O-N 3.24Å; H121-V123 VanDerWaalsContact O-N 3.11Å
122F87.8Confident95Very high191 Ų19166.5 Ų66.584%0.83834%0.344SS*.  trans50.934.7179.5-53-76.9000114.6N119 S124N119-F122 WeakPolarHBondContact OD1-CA 3.45Å; N119-F122 PolarHBondContact OD1-N 2.92Å; F122-S124 PolarHBondContact O-N 3.21Å
123V91.8Very high94.9Very high38 Ų3874.8 Ų74.823%0.2337%0.371CS..  trans-61.9130173.9-176.80000108.8P8 N119 H121 T127 I128P8-V123 HydrophobicContact CB-CB 4.41Å; P8-V123 HydrophobicContact CB-CG2 4.19Å; P8-V123 HydrophobicContact CG-CB 4.35Å; P8-V123 HydrophobicContact CG-CG1 4.32Å; P8-V123 HydrophobicContact CG-CG2 4.05Å; N119-V123 PolarHBondContact ND2-O 3.5Å; N119-V123 PolarHBondContact OD1-N 3.34Å; H121-V123 HydrophobicContact CB-CG2 4.25Å; H121-V123 PolarHBondContact O-N 3.24Å; H121-V123 VanDerWaalsContact O-N 3.11Å; V123-T127 HydrophobicContact CG1-CG2 3.61Å; V123-I128 HydrophobicContact CB-CD1 4.36Å; V123-I128 HydrophobicContact CB-CG1 4.32Å; V123-I128 HydrophobicContact CG1-CD1 4.48Å; V123-I128 HydrophobicContact CG1-CG1 3.92Å
124S94.6Very high94.8Very high58 Ų5871.1 Ų71.141%0.40636%0.356SS..  trans-61.8150.2-176.471.20000112.4F122 E126 T127 I128F122-S124 PolarHBondContact O-N 3.21Å; S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 2.95Å; S124-T127 PolarHBondContact O-N 2.88Å; S124-T127 VanDerWaalsContact O-N 3.11Å; S124-T127 WeakPolarHBondContact OG-CB 3.42Å; S124-T127 PolarHBondContact OG-N 2.93Å; S124-T127 PolarHBondContact OG-OG1 3.39Å; S124-I128 PolarHBondContact O-N 3.05Å
125L96.7Very high94.8Very high70 Ų7071.5 Ų71.537%0.36636%0.356SS..Hα-helixtrans-53.5-46.8175.4176.360.1000111.3A112 A116 T127 I128 E129A112-L125 HydrophobicContact CB-CD1 4.01Å; A112-L125 WeakPolarHBondContact O-CD1 3.46Å; A116-L125 HydrophobicContact CB-CB 4.27Å; A116-L125 HydrophobicContact CB-CD1 3.92Å; L125-T127 VanDerWaalsContact C-N 3.31Å; L125-T127 PolarHBondContact O-N 2.86Å; L125-I128 CarbonylContact O-C 3.59Å; L125-I128 WeakPolarHBondContact O-CB 3.36Å; L125-I128 PolarHBondContact O-N 3.06Å; L125-I128 VanDerWaalsContact O-N 3.07Å; L125-E129 HydrophobicContact CD1-CG 4.14Å; L125-E129 HydrophobicContact CG-CG 4.32Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 3.37Å
126E97.1Very high94.6Very high149 Ų14974.1 Ų74.170%0.69637%0.368SS*.Hα-helixtrans-55.9-43.1177.5-176.2-178-173.500112.5S124 E129 A130S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 2.95Å; E126-E129 PolarHBondContact O-N 2.95Å; E126-A130 WeakPolarHBondContact O-CB 3.3Å; E126-A130 PolarHBondContact O-N 3.36Å
127T95.2Very high94.4Very high61 Ų6178.1 Ų78.137%0.37438%0.382SS..Hα-helixtrans-66.5-39.2177.5-580000111.5V123 S124 L125 A130 K131V123-T127 HydrophobicContact CG1-CG2 3.61Å; S124-T127 PolarHBondContact O-N 2.88Å; S124-T127 VanDerWaalsContact O-N 3.11Å; S124-T127 WeakPolarHBondContact OG-CB 3.42Å; S124-T127 PolarHBondContact OG-N 2.93Å; S124-T127 PolarHBondContact OG-OG1 3.39Å; L125-T127 VanDerWaalsContact C-N 3.31Å; L125-T127 PolarHBondContact O-N 2.86Å; T127-A130 PolarHBondContact O-N 3.28Å; T127-K131 WeakPolarHBondContact O-CG 3.38Å; T127-K131 PolarHBondContact O-N 2.71Å
128I97.2Very high94.2Very high0 Ų073 Ų730%036%0.357CS..Hα-helixtrans-66.8-45.6176.9-70.1172.9000110.6A112 L115 A116 N119 V123 S124 L125 A130 K131 V132A112-I128 HydrophobicContact CB-CG2 4.1Å; L115-I128 HydrophobicContact CB-CD1 4.44Å; L115-I128 HydrophobicContact CB-CG2 3.65Å; L115-I128 HydrophobicContact CD1-CG2 3.88Å; L115-I128 HydrophobicContact CG-CG2 4.44Å; A116-I128 VanDerWaalsContact CA-CD1 3.48Å; A116-I128 HydrophobicContact CB-CD1 3.93Å; N119-I128 HydrophobicContact CB-CD1 4.44Å; V123-I128 HydrophobicContact CB-CD1 4.36Å; V123-I128 HydrophobicContact CB-CG1 4.32Å; V123-I128 HydrophobicContact CG1-CD1 4.48Å; V123-I128 HydrophobicContact CG1-CG1 3.92Å; S124-I128 PolarHBondContact O-N 3.05Å; L125-I128 CarbonylContact O-C 3.59Å; L125-I128 WeakPolarHBondContact O-CB 3.36Å; L125-I128 PolarHBondContact O-N 3.06Å; L125-I128 VanDerWaalsContact O-N 3.07Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 2.99Å; I128-K131 PolarHBondContact O-N 3.38Å; I128-K131 VanDerWaalsContact O-N 3.08Å; I128-V132 HydrophobicContact CG2-CG2 4.37Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.16Å
129E98.2Very high94.1Very high81 Ų8168.9 Ų68.938%0.37934%0.342SS..Hα-helixtrans-56.7-43.7174.6-74.1179.4164.300111.3A112 L125 E126 V132 R133A112-E129 HydrophobicContact CB-CB 4.47Å; A112-E129 HydrophobicContact CB-CG 3.59Å; L125-E129 HydrophobicContact CD1-CG 4.14Å; L125-E129 HydrophobicContact CG-CG 4.32Å; L125-E129 WeakPolarHBondContact O-CG 3.39Å; L125-E129 PolarHBondContact O-N 3.37Å; E126-E129 PolarHBondContact O-N 2.95Å; E129-V132 PolarHBondContact O-N 3.02Å; E129-R133 VanDerWaalsContact O-CB 3.28Å; E129-R133 WeakPolarHBondContact O-CB 3.37Å; E129-R133 PolarHBondContact O-N 2.85Å
130A96.9Very high94.1Very high36 Ų3668 Ų6830%0.29834%0.338SS..Hα-helixtrans-61.3-44.4174.800000111.4E126 T127 I128 R133 N134E126-A130 WeakPolarHBondContact O-CB 3.3Å; E126-A130 PolarHBondContact O-N 3.36Å; T127-A130 PolarHBondContact O-N 3.28Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 2.99Å; A130-R133 PolarHBondContact O-N 3.49Å; A130-N134 WeakPolarHBondContact O-CB 3.33Å; A130-N134 PolarHBondContact O-N 3.48Å; A130-N134 PolarHBondContact O-ND2 3.48Å
131K96.6Very high94.3Very high52 Ų5263.9 Ų63.923%0.22631%0.313CS..Hα-helixtrans-65.2-38177.4-79.2-177.4178.1-74.60113.1P7 P8 T78 T80 T127 I128 F135P7-K131 HydrophobicContact CB-CB 4.29Å; P8-K131 HydrophobicContact CG-CD 4.29Å; T78-K131 HydrophobicContact CG2-CD 4.48Å; T78-K131 PolarHBondContact OG1-NZ 3.39Å; T80-K131 HydrophobicContact CG2-CB 4.3Å; T127-K131 WeakPolarHBondContact O-CG 3.38Å; T127-K131 PolarHBondContact O-N 2.71Å; I128-K131 PolarHBondContact O-N 3.38Å; I128-K131 VanDerWaalsContact O-N 3.08Å; K131-F135 PolarHBondContact O-N 2.96Å
132V97.2Very high94.6Very high35 Ų3563.6 Ų63.621%0.21231%0.31CS..Hα-helixtrans-65.2-50.3175.1169.90000110.3P7 F110 L115 I128 E129 N134 F135P7-V132 HydrophobicContact CB-CG2 4.29Å; P7-V132 HydrophobicContact CG-CG2 4.03Å; F110-V132 HydrophobicContact CB-CG1 4.22Å; F110-V132 WeakPolarHBondContact O-CG1 3.37Å; L115-V132 HydrophobicContact CD1-CG2 3.71Å; I128-V132 HydrophobicContact CG2-CG2 4.37Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.16Å; E129-V132 PolarHBondContact O-N 3.02Å; V132-N134 PolarHBondContact O-N 2.95Å; V132-F135 WeakPolarHBondContact O-CB 3.33Å; V132-F135 PolarHBondContact O-N 3.16Å; V132-F135 VanDerWaalsContact O-N 3.16Å
133R96.7Very high94.9Very high190 Ų19054.9 Ų54.972%0.71727%0.272SS*.Hα-helixtrans-59.2-33.7179.3-166-169.8-45.81717112.6E129 A130E129-R133 VanDerWaalsContact O-CB 3.28Å; E129-R133 WeakPolarHBondContact O-CB 3.37Å; E129-R133 PolarHBondContact O-N 2.85Å; A130-R133 PolarHBondContact O-N 3.49Å
134N95.6Very high95Very high58 Ų5853.1 Ų53.131%0.3126%0.261SS..THydrogen-bonded Turntrans-958.2-176.5-70.8-33.6000113.8R81 A130 V132 E136R81-N134 WeakPolarHBondContact CD-O 3.42Å; R81-N134 VanDerWaalsContact CZ-CB 3.42Å; R81-N134 PolarHBondContact NH1-O 3.25Å; R81-N134 PolarHBondContact NH2-OD1 2.94Å; A130-N134 WeakPolarHBondContact O-CB 3.33Å; A130-N134 PolarHBondContact O-N 3.48Å; A130-N134 PolarHBondContact O-ND2 3.48Å; V132-N134 PolarHBondContact O-N 2.95Å; N134-E136 PolarHBondContact O-N 3.11Å
135F96.4Very high95Very high28 Ų2850.3 Ų50.312%0.12324%0.242CC..  trans-69114.9179.9-170-89.3000111.1R5 T80 I103 F110 K131 V132R5-F135 HydrophobicContact CB-CE2 4.24Å; R5-F135 HydrophobicContact CB-CZ 4.28Å; T80-F135 HydrophobicContact CG2-CD2 3.94Å; I103-F135 HydrophobicContact CD1-CE1 4.01Å; I103-F135 HydrophobicContact CD1-CZ 3.73Å; I103-F135 HydrophobicContact CG1-CZ 4.06Å; I103-F135 HydrophobicContact CG2-CZ 4.45Å; F110-F135 HydrophobicContact CE1-CB 4.25Å; F110-F135 AromaticContact CE1-CD1 3.77Å; F110-F135 HydrophobicContact CE1-CD1 3.77Å; F110-F135 AromaticContact CE1-CD2 3.77Å; F110-F135 HydrophobicContact CE1-CD2 3.77Å; F110-F135 HydrophobicContact CE1-CE1 4.02Å; F110-F135 HydrophobicContact CE1-CE2 4.04Å; F110-F135 AromaticContact CE1-CG 3.64Å; F110-F135 HydrophobicContact CE1-CG 3.64Å; F110-F135 HydrophobicContact CE1-CZ 4.15Å; F110-F135 AromaticContact CZ-CD1 3.84Å; F110-F135 HydrophobicContact CZ-CD1 3.84Å; F110-F135 HydrophobicContact CZ-CD2 4.43Å; F110-F135 AromaticContact CZ-CE1 3.74Å; F110-F135 HydrophobicContact CZ-CE1 3.74Å; F110-F135 HydrophobicContact CZ-CE2 4.36Å; F110-F135 HydrophobicContact CZ-CG 4.19Å; F110-F135 HydrophobicContact CZ-CZ 4.02Å; K131-F135 PolarHBondContact O-N 2.96Å; V132-F135 WeakPolarHBondContact O-CB 3.33Å; V132-F135 PolarHBondContact O-N 3.16Å; V132-F135 VanDerWaalsContact O-N 3.16Å
136E94.2Very high94.7Very high56 Ų5647.1 Ų47.126%0.26223%0.225SC..  trans-94.5143.4-178.1-72.9171.7-173.900112R5 T80 R81 S82 N134 I138R5-E136 PolarHBondContact NH1-O 2.87Å; R5-E136 PolarHBondContact NH2-O 3.34Å; T80-E136 PolarHBondContact O-N 3.27Å; R81-E136 VanDerWaalsContact CD-CD 3.44Å; R81-E136 WeakPolarHBondContact CD-OE1 3.36Å; R81-E136 IonicContact CZ-OE1 3.65Å; R81-E136 IonicContact NE-OE1 2.7Å; R81-E136 IonicContact NH1-OE1 3.06Å; R81-E136 PolarHBondContact NH1-OE1 2.88Å; S82-E136 VanDerWaalsContact CB-OE2 3.29Å; S82-E136 WeakPolarHBondContact CB-OE2 3.39Å; S82-E136 PolarHBondContact N-OE2 3.44Å; S82-E136 PolarHBondContact OG-OE2 3.23Å; N134-E136 PolarHBondContact O-N 3.11Å; E136-I138 PolarHBondContact O-N 3.28Å
137H90.8Very high94.3Very high110 Ų11040 Ų4051%0.50919%0.192SC..  trans-74.9124.6161.5-74.8-92.5000109.2Y139H137-Y139 HydrophobicContact CB-CE1 4.29Å; H137-Y139 HydrophobicContact CB-CE2 3.74Å; H137-Y139 WeakPolarHBondContact CB-OH 3.44Å
138I92.9Very high93Very high32 Ų3238 Ų3816%0.16418%0.18CC..  trans-100.4115.4175.4-58.6175.6000108.2R5 A85 M101 E136 Y453R5-I138 VanDerWaalsContact NE-CD1 3.32Å; A85-I138 HydrophobicContact CB-CD1 3.56Å; M101-I138 HydrophobicContact CE-CD1 4.4Å; M101-I138 HydrophobicContact CE-CG2 4.15Å; E136-I138 PolarHBondContact O-N 3.28Å; I138-Y453 HydrophobicContact CG2-CD1 3.93Å; I138-Y453 HydrophobicContact CG2-CE1 3.87Å
139Y93.2Very high91.4Very high37 Ų3739 Ų3915%0.14519%0.188CC..  trans-98.7138.4178.5-59.4-72.6000110.5H137 Y260 E267 A270H137-Y139 HydrophobicContact CB-CE1 4.29Å; H137-Y139 HydrophobicContact CB-CE2 3.74Å; H137-Y139 WeakPolarHBondContact CB-OH 3.44Å; Y139-Y260 WeakPolarHBondContact O-CA 3.22Å; Y139-E267 HydrophobicContact CE1-CB 4.24Å; Y139-E267 HydrophobicContact CE1-CG 4.4Å; Y139-E267 VanDerWaalsContact OH-CG 3.32Å; Y139-E267 WeakPolarHBondContact OH-CG 3.43Å; Y139-E267 PolarHBondContact OH-OE1 3.32Å; Y139-A270 HydrophobicContact CD1-CB 3.74Å; Y139-A270 HydrophobicContact CE1-CB 3.74Å
140P92.9Very high89.5Confident0 Ų037.8 Ų37.80%019%0.187CC..  trans-72.9171.8176.831.6-35.4000112.1Y143 S258 Y260 A451 S452 Y453P140-Y143 VanDerWaalsContact CD-CZ 3.48Å; P140-Y143 WeakPolarHBondContact CD-OH 3.5Å; P140-Y143 HydrophobicContact CG-CD1 4.22Å; P140-Y143 HydrophobicContact CG-CD2 3.84Å; P140-Y143 HydrophobicContact CG-CE1 3.74Å; P140-Y143 HydrophobicContact CG-CE2 3.31Å; P140-Y143 HydrophobicContact CG-CG 4.26Å; P140-S258 WeakPolarHBondContact O-CB 3.48Å; P140-S258 PolarHBondContact O-OG 3.22Å; P140-Y260 VanDerWaalsContact O-CA 3.27Å; P140-Y260 WeakPolarHBondContact O-CA 3.35Å; P140-Y260 PolarHBondContact O-N 3.31Å; P140-A451 HydrophobicContact CB-CB 3.73Å; P140-A451 HydrophobicContact CG-CB 3.74Å; P140-S452 CarbonylContact C-O 3.57Å; P140-S452 WeakPolarHBondContact CA-O 3.45Å; P140-S452 WeakPolarHBondContact CB-O 3.5Å; P140-Y453 HydrophobicContact CB-CD1 3.94Å; P140-Y453 HydrophobicContact CB-CD2 4.22Å; P140-Y453 HydrophobicContact CB-CE1 3.91Å; P140-Y453 HydrophobicContact CB-CE2 4.24Å; P140-Y453 HydrophobicContact CB-CG 4.11Å; P140-Y453 HydrophobicContact CG-CE1 4.46Å
141C92.8Very high87.5Confident19 Ų1939.3 Ų39.313%0.12819%0.194CC..SBendtrans-64.9-44.5166.7-166.80000111.1S258 K259 Y260 S452C141-S258 VanDerWaalsContact C-OG 3.27Å; C141-S258 PolarHBondContact O-N 3.48Å; C141-S258 PolarHBondContact O-OG 3.37Å; C141-S258 VanDerWaalsContact O-OG 3.07Å; C141-K259 PolarHBondContact O-N 3.13Å; C141-Y260 HydrophobicContact CB-CD1 4.36Å; C141-Y260 HydrophobicContact CB-CE1 3.69Å; C141-Y260 HydrophobicContact CB-CE2 4.27Å; C141-S452 WeakPolarHBondContact CB-O 3.31Å; C141-S452 PolarHBondContact N-O 3.14Å
142Y92.9Very high85.4Confident34 Ų3438.9 Ų38.913%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-157.9157.9175.350.3-88.3000112.7F146 H252 K256 F257 S258 A451 S452Y142-F146 HydrophobicContact CD2-CE1 4.24Å; Y142-F146 AromaticContact CD2-CZ 3.76Å; Y142-F146 HydrophobicContact CD2-CZ 3.76Å; Y142-F146 AromaticContact CE2-CE1 3.46Å; Y142-F146 HydrophobicContact CE2-CE1 3.46Å; Y142-F146 VanDerWaalsContact CE2-CE1 3.46Å; Y142-F146 AromaticContact CE2-CZ 3.45Å; Y142-F146 HydrophobicContact CE2-CZ 3.45Å; Y142-F146 VanDerWaalsContact CE2-CZ 3.45Å; Y142-H252 AromaticContact CE2-CD2 3.59Å; Y142-H252 AromaticContact CE2-NE2 3.65Å; Y142-H252 AromaticContact CZ-NE2 4Å; Y142-K256 CarbonylContact C-O 3.54Å; Y142-K256 WeakPolarHBondContact CA-O 3.34Å; Y142-K256 WeakPolarHBondContact CB-O 3.09Å; Y142-F257 HydrophobicContact CD1-CD2 4.49Å; Y142-S258 PolarHBondContact N-OG 2.93Å; Y142-A451 WeakPolarHBondContact O-CA 3.05Å; Y142-S452 VanDerWaalsContact CZ-CB 3.44Å; Y142-S452 PolarHBondContact O-N 2.86Å; Y142-S452 PolarHBondContact OH-OG 3.04Å
143Y93.6Very high83.2Confident9 Ų945.2 Ų45.24%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-105.9145.2170.1-62.8-94.3000109.6P140 A255 K256 Y269 A270 V275 L280 F449 A451P140-Y143 VanDerWaalsContact CD-CZ 3.48Å; P140-Y143 WeakPolarHBondContact CD-OH 3.5Å; P140-Y143 HydrophobicContact CG-CD1 4.22Å; P140-Y143 HydrophobicContact CG-CD2 3.84Å; P140-Y143 HydrophobicContact CG-CE1 3.74Å; P140-Y143 HydrophobicContact CG-CE2 3.31Å; P140-Y143 HydrophobicContact CG-CG 4.26Å; Y143-A255 PolarHBondContact O-N 2.98Å; Y143-K256 HydrophobicContact CD2-CB 4.45Å; Y143-K256 PolarHBondContact N-O 3.26Å; Y143-K256 PolarHBondContact O-N 2.84Å; Y143-Y269 HydrophobicContact CD1-CE1 4.34Å; Y143-Y269 AromaticContact CD2-CD1 3.75Å; Y143-Y269 HydrophobicContact CD2-CD1 3.75Å; Y143-Y269 AromaticContact CD2-CE1 3.68Å; Y143-Y269 HydrophobicContact CD2-CE1 3.68Å; Y143-Y269 HydrophobicContact CE2-CD1 4.02Å; Y143-Y269 HydrophobicContact CE2-CE1 4.33Å; Y143-Y269 HydrophobicContact CG-CD1 4.21Å; Y143-Y269 AromaticContact CG-CE1 3.68Å; Y143-Y269 HydrophobicContact CG-CE1 3.68Å; Y143-A270 HydrophobicContact CE2-CB 4.36Å; Y143-A270 WeakPolarHBondContact OH-CB 3.41Å; Y143-V275 HydrophobicContact CD1-CG1 3.94Å; Y143-V275 HydrophobicContact CE1-CG1 3.95Å; Y143-L280 HydrophobicContact CD1-CD2 4.17Å; Y143-L280 HydrophobicContact CE1-CD2 4.27Å; Y143-F449 HydrophobicContact CD1-CE1 4.39Å; Y143-A451 HydrophobicContact CD1-CB 4Å; Y143-A451 HydrophobicContact CE1-CB 4.04Å
144G94.3Very high80.8Confident0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans179.1-177178.400000113.5F146 I253 F449 A450G144-F146 WeakPolarHBondContact O-CD2 3.49Å; G144-F146 WeakPolarHBondContact O-CE2 3.23Å; G144-I253 CarbonylContact C-O 3.55Å; G144-I253 WeakPolarHBondContact CA-O 3.2Å; G144-F449 WeakPolarHBondContact O-CA 3.27Å; G144-A450 PolarHBondContact N-O 2.77Å; G144-A450 VanDerWaalsContact N-O 3.13Å; G144-A450 PolarHBondContact O-N 2.72Å
145W93.6Very high78.2Confident0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-89.3140.5165.8-73.6-42.3000110.7H252 I253 F284 V286 L304 P305 I310 W314 V447 T448 F449W145-H252 CarbonylContact O-C 3.46Å; W145-H252 WeakPolarHBondContact O-CA 3.29Å; W145-H252 VanDerWaalsContact O-CB 3.31Å; W145-H252 WeakPolarHBondContact O-CB 3.35Å; W145-I253 HydrophobicContact CB-CB 4.26Å; W145-I253 HydrophobicContact CB-CD1 4.23Å; W145-I253 HydrophobicContact CE3-CB 4.39Å; W145-I253 HydrophobicContact CE3-CD1 3.88Å; W145-I253 HydrophobicContact CE3-CG2 4.46Å; W145-I253 PolarHBondContact N-O 3.25Å; W145-I253 PolarHBondContact O-N 3.11Å; W145-F284 AromaticContact CD1-CD2 3.83Å; W145-F284 AromaticContact CE2-CG 3.9Å; W145-F284 HydrophobicContact CZ2-CB 4.1Å; W145-F284 HydrophobicContact CZ2-CD1 4.24Å; W145-F284 HydrophobicContact CZ2-CG 4.02Å; W145-F284 AromaticContact NE1-CD2 3.12Å; W145-F284 AromaticContact NE1-CE2 3.83Å; W145-F284 AromaticContact NE1-CG 3.4Å; W145-V286 HydrophobicContact CD2-CG1 3.87Å; W145-V286 HydrophobicContact CE3-CG1 3.27Å; W145-V286 HydrophobicContact CH2-CG1 3.94Å; W145-V286 HydrophobicContact CZ2-CG1 4.47Å; W145-V286 HydrophobicContact CZ3-CG1 3.27Å; W145-L304 HydrophobicContact CE3-CD2 4.43Å; W145-L304 HydrophobicContact CH2-CD2 3.95Å; W145-L304 HydrophobicContact CZ3-CD2 3.42Å; W145-L304 VanDerWaalsContact CZ3-CD2 3.42Å; W145-P305 VanDerWaalsContact CH2-CD 3.42Å; W145-P305 HydrophobicContact CH2-CG 3.97Å; W145-P305 HydrophobicContact CZ2-CG 4.44Å; W145-I310 HydrophobicContact CH2-CG2 3.42Å; W145-I310 VanDerWaalsContact CH2-CG2 3.42Å; W145-I310 HydrophobicContact CZ2-CD1 4.3Å; W145-I310 HydrophobicContact CZ2-CG2 3.55Å; W145-W314 AromaticContact CD2-CH2 3.66Å; W145-W314 HydrophobicContact CD2-CH2 3.66Å; W145-W314 AromaticContact CD2-CZ2 3.88Å; W145-W314 HydrophobicContact CD2-CZ2 3.88Å; W145-W314 AromaticContact CE2-CH2 3.72Å; W145-W314 AromaticContact CE3-CH2 3.85Å; W145-W314 HydrophobicContact CE3-CH2 3.85Å; W145-W314 AromaticContact CE3-CZ2 3.72Å; W145-W314 HydrophobicContact CE3-CZ2 3.72Å; W145-W314 HydrophobicContact CG-CH2 4.21Å; W145-W314 HydrophobicContact CG-CZ2 4.37Å; W145-W314 HydrophobicContact CH2-CH2 4.12Å; W145-W314 HydrophobicContact CH2-CZ3 4.34Å; W145-W314 AromaticContact CZ2-CH2 3.95Å; W145-W314 HydrophobicContact CZ2-CH2 3.95Å; W145-W314 HydrophobicContact CZ2-CZ3 4.23Å; W145-W314 HydrophobicContact CZ3-CH2 4.11Å; W145-W314 HydrophobicContact CZ3-CZ2 4.12Å; W145-V447 HydrophobicContact CB-CB 3.88Å; W145-V447 HydrophobicContact CB-CG2 3.63Å; W145-V447 HydrophobicContact CD2-CG2 3.94Å; W145-V447 HydrophobicContact CE3-CG2 4.49Å; W145-V447 HydrophobicContact CG-CB 4.28Å; W145-V447 HydrophobicContact CG-CG2 3.53Å; W145-T448 CarbonylContact C-O 3.58Å; W145-T448 WeakPolarHBondContact CA-O 3.36Å; W145-F449 AromaticContact CD1-CD2 3.66Å; W145-F449 HydrophobicContact CG-CD2 4.37Å; W145-F449 AromaticContact NE1-CD2 3.64Å
146F91.5Very high75.7Confident3 Ų341.1 Ų41.11%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-133.6150-178.7-57.7-106.5000110.9F98 Y142 G144 H252 V447 T448 A450F98-F146 HydrophobicContact CD1-CD1 4.48Å; F98-F146 HydrophobicContact CD1-CG 4.45Å; F98-F146 HydrophobicContact CE1-CB 3.53Å; F98-F146 AromaticContact CE1-CD1 3.6Å; F98-F146 HydrophobicContact CE1-CD1 3.6Å; F98-F146 HydrophobicContact CE1-CD2 4.49Å; F98-F146 HydrophobicContact CE1-CE1 4.41Å; F98-F146 AromaticContact CE1-CG 3.65Å; F98-F146 HydrophobicContact CE1-CG 3.65Å; F98-F146 HydrophobicContact CE2-CB 3.82Å; F98-F146 HydrophobicContact CZ-CB 3.13Å; F98-F146 HydrophobicContact CZ-CD1 4.1Å; F98-F146 AromaticContact CZ-CG 3.82Å; F98-F146 HydrophobicContact CZ-CG 3.82Å; Y142-F146 HydrophobicContact CD2-CE1 4.24Å; Y142-F146 AromaticContact CD2-CZ 3.76Å; Y142-F146 HydrophobicContact CD2-CZ 3.76Å; Y142-F146 AromaticContact CE2-CE1 3.46Å; Y142-F146 HydrophobicContact CE2-CE1 3.46Å; Y142-F146 VanDerWaalsContact CE2-CE1 3.46Å; Y142-F146 AromaticContact CE2-CZ 3.45Å; Y142-F146 HydrophobicContact CE2-CZ 3.45Å; Y142-F146 VanDerWaalsContact CE2-CZ 3.45Å; G144-F146 WeakPolarHBondContact O-CD2 3.49Å; G144-F146 WeakPolarHBondContact O-CE2 3.23Å; F146-H252 HydrophobicContact CD1-CB 3.43Å; F146-H252 VanDerWaalsContact CD1-CB 3.43Å; F146-H252 HydrophobicContact CE1-CB 3.69Å; F146-H252 HydrophobicContact CG-CB 3.97Å; F146-H252 HydrophobicContact CZ-CB 4.4Å; F146-V447 WeakPolarHBondContact O-CA 3.37Å; F146-T448 PolarHBondContact N-O 2.76Å; F146-T448 PolarHBondContact O-N 3.28Å; F146-A450 HydrophobicContact CD2-CB 3.82Å; F146-A450 HydrophobicContact CE2-CB 4.07Å; F146-A450 WeakPolarHBondContact CE2-O 3.46Å
147W86.9Confident73.3Confident0 Ų046.2 Ų46.20%025%0.246CC..  trans-95107.1162-71.3-100.2000108.7V187 L190 I250 P251 I253 V286 I288 V342 Y445 V447W147-V187 HydrophobicContact CB-CB 4.41Å; W147-V187 HydrophobicContact CB-CG2 3.36Å; W147-V187 HydrophobicContact CG-CG2 4.33Å; W147-V187 WeakPolarHBondContact O-CG2 3.35Å; W147-L190 HydrophobicContact CD2-CD2 4.09Å; W147-L190 HydrophobicContact CE3-CD2 4.14Å; W147-L190 HydrophobicContact CH2-CD2 3.82Å; W147-L190 HydrophobicContact CZ2-CD2 3.75Å; W147-L190 HydrophobicContact CZ3-CD2 4.01Å; W147-I250 WeakPolarHBondContact O-CG2 3.21Å; W147-P251 HydrophobicContact CE3-CB 3.98Å; W147-P251 PolarHBondContact N-O 3.24Å; W147-I253 HydrophobicContact CH2-CD1 3.78Å; W147-I253 HydrophobicContact CH2-CG1 4.18Å; W147-I253 HydrophobicContact CZ3-CD1 3.97Å; W147-I253 HydrophobicContact CZ3-CG1 3.94Å; W147-V286 HydrophobicContact CH2-CG2 4.2Å; W147-V286 HydrophobicContact CZ2-CG2 4.04Å; W147-I288 HydrophobicContact CH2-CD1 4.43Å; W147-V342 HydrophobicContact CH2-CG2 3.64Å; W147-V342 HydrophobicContact CZ3-CG2 3.49Å; W147-V342 VanDerWaalsContact CZ3-CG2 3.49Å; W147-Y445 HydrophobicContact CZ2-CD1 4.42Å; W147-Y445 AromaticContact CZ2-CG 3.98Å; W147-Y445 HydrophobicContact CZ2-CG 3.98Å; W147-Y445 AromaticContact NE1-CD1 3.62Å; W147-Y445 AromaticContact NE1-CG 3.91Å; W147-V447 HydrophobicContact CD2-CG1 3.57Å; W147-V447 HydrophobicContact CE3-CG1 3.91Å; W147-V447 HydrophobicContact CG-CG1 4.13Å; W147-V447 HydrophobicContact CH2-CG1 3.91Å; W147-V447 HydrophobicContact CZ2-CG1 3.57Å; W147-V447 HydrophobicContact CZ3-CG1 4.06Å
148P68.9Low71Confident19 Ų1945.9 Ų45.912%0.12325%0.248CC..PPolyproline II helixtrans-52.9143.7-179.711.8-14000112F98 P183 C184 V187F98-P148 HydrophobicContact CD2-CB 3.86Å; F98-P148 HydrophobicContact CE2-CB 3.26Å; F98-P148 HydrophobicContact CE2-CG 3.84Å; F98-P148 HydrophobicContact CZ-CB 4.05Å; P148-P183 HydrophobicContact CG-CB 3.61Å; P148-C184 VanDerWaalsContact CB-SG 3.59Å; P148-C184 VanDerWaalsContact O-CA 3.3Å; P148-C184 WeakPolarHBondContact O-CA 3.48Å; P148-V187 VanDerWaalsContact O-CG2 3.28Å; P148-V187 WeakPolarHBondContact O-CG2 3.47Å
149A63.9Low68.4Low21 Ų2151.3 Ų51.317%0.17428%0.277CS..PPolyproline II helixtrans-57.5146.9168.500000109.7H96 C184 I250H96-A149 HydrophobicContact CB-CB 3.56Å; A149-C184 PolarHBondContact O-SG 2.85Å; A149-I250 HydrophobicContact CB-CD1 4.08Å
150P58.4Low65.8Low54 Ų5455.5 Ų55.535%0.35130%0.301SS..PPolyproline II helixtrans-54.8146.4171.1-18.729.4000110.9
151P55Low63Low69 Ų6960.2 Ų60.245%0.44833%0.334SS..PPolyproline II helixtrans-54.2148.9163.2-1223.8000109.1Y155P151-Y155 HydrophobicContact CB-CG 4.3Å
152S51.8Low60.2Low42 Ų4265.6 Ų65.629%0.29436%0.361SS..PPolyproline II helixtrans-54.5152.2173.771.60000110.4S68 G69 T154 Y155S68-S152 PolarHBondContact O-OG 3.35Å; G69-S152 WeakPolarHBondContact CA-OG 3.39Å; S152-T154 PolarHBondContact O-N 3.38Å; S152-Y155 WeakPolarHBondContact O-CB 3.38Å; S152-Y155 PolarHBondContact O-N 3.24Å
153E51.4Low57.4Low168 Ų16870.8 Ų70.879%0.78539%0.392SS*.Hα-helixtrans-51.1-30.9179.5-70.2-173165.600112.7Y155 S156E153-Y155 PolarHBondContact O-N 2.74Å; E153-S156 PolarHBondContact O-N 3.4Å; E153-S156 PolarHBondContact O-OG 3.5Å
154T45.6Very low54.6Low84 Ų8474.8 Ų74.852%0.51542%0.42SS..Hα-helixtrans-56-34.1175.9-38.20000112.7S152S152-T154 PolarHBondContact O-N 3.38Å
155Y42.4Very low51.6Low31 Ų3182 Ų8212%0.12246%0.458CS..Hα-helixtrans-77.2-34.3-179.3-111.4-102.2000114G69 Y70 S71 P151 S152 E153 K157 L158G69-Y155 VanDerWaalsContact C-CE2 3.41Å; G69-Y155 WeakPolarHBondContact O-CD2 3.4Å; G69-Y155 WeakPolarHBondContact O-CE2 3.48Å; Y70-Y155 VanDerWaalsContact CA-OH 3.3Å; Y70-Y155 WeakPolarHBondContact CA-OH 3.38Å; Y70-Y155 AromaticContact CD1-CE2 3.97Å; Y70-Y155 HydrophobicContact CD1-CE2 3.97Å; Y70-Y155 AromaticContact CD1-CZ 3.86Å; Y70-Y155 WeakPolarHBondContact CD1-OH 3.11Å; Y70-Y155 HydrophobicContact CE1-CE2 4.43Å; Y70-Y155 HydrophobicContact CG-CE2 4.04Å; S71-Y155 PolarHBondContact N-OH 3.36Å; P151-Y155 HydrophobicContact CB-CG 4.3Å; S152-Y155 WeakPolarHBondContact O-CB 3.38Å; S152-Y155 PolarHBondContact O-N 3.24Å; E153-Y155 PolarHBondContact O-N 2.74Å; Y155-K157 PolarHBondContact O-N 2.95Å; Y155-L158 PolarHBondContact O-N 3.19Å
156S43.8Very low48.7Very low75 Ų7589.6 Ų89.652%0.52450%0.499SS..Hα-helixtrans-60.1-22.4-179.268.70000113.4E153E153-S156 PolarHBondContact O-N 3.4Å; E153-S156 PolarHBondContact O-OG 3.5Å
157K41.9Very low45.9Very low163 Ų16396.8 Ų96.871%0.70954%0.536SS*.THydrogen-bonded Turntrans-80.8-24.7178.2-67.7-178.4179.9175.40113.9Y155Y155-K157 PolarHBondContact O-N 2.95Å
158L43Very low43.4Very low104 Ų104102.2 Ų102.255%0.54557%0.569SS.*G310 helixtrans-79.7-29.7-176.5-81.8148.6000112.7Y155 I160 S161Y155-L158 PolarHBondContact O-N 3.19Å; L158-I160 PolarHBondContact O-N 3.21Å; L158-S161 PolarHBondContact O-OG 3.13Å
159D39.7Very low41.7Very low146 Ų146107 Ų10778%0.78160%0.602SS**G310 helixtrans-72.9-9.4177.4-91.7-11000113.8
160I38Very low40.1Very low125 Ų125116 Ų11664%0.64163%0.632SS**G310 helixtrans-87.5-14.4-177.8-59.4177000112.1L158L158-I160 PolarHBondContact O-N 3.21Å
161S34.7Very low39.1Very low99 Ų99119 Ų11969%0.69265%0.652SS**  trans-89.9-3.5-175.659.50000115.6L158 N163L158-S161 PolarHBondContact O-OG 3.13Å; S161-N163 PolarHBondContact O-N 3.09Å
162D34Very low38.2Very low131 Ų131120.8 Ų120.870%0.70167%0.672SS**  trans-85.952.3170.9-155.24.6000111.6S164D162-S164 PolarHBondContact O-N 2.68Å; D162-S164 PolarHBondContact OD1-OG 3.26Å; D162-S164 VanDerWaalsContact OD1-OG 3.12Å
163N33Very low37.6Very low144 Ų144127.1 Ų127.177%0.7769%0.694SS**  trans-92.263.6160.1-84-26.2000107.7S161 L165S161-N163 PolarHBondContact O-N 3.09Å; N163-L165 PolarHBondContact O-N 3.23Å
164S34.4Very low36.7Very low92 Ų92130.4 Ų130.464%0.64370%0.7SS**  trans-66.8119.7162.341.70000108.5D162 D166D162-S164 PolarHBondContact O-N 2.68Å; D162-S164 PolarHBondContact OD1-OG 3.26Å; D162-S164 VanDerWaalsContact OD1-OG 3.12Å; S164-D166 PolarHBondContact O-N 3.34Å
165L32.6Very low36.3Very low152 Ų152138.3 Ų138.380%0.79672%0.72SS**  trans-33.9116.8-179.3-74.688.8000114.4N163N163-L165 PolarHBondContact O-N 3.23Å
166D32.3Very low36.1Very low159 Ų159145.2 Ų145.285%0.8575%0.751SS**  trans-147.785.8147.3-98.5-26.5000109.1S164 V168S164-D166 PolarHBondContact O-N 3.34Å; D166-V168 VanDerWaalsContact C-N 3.26Å; D166-V168 PolarHBondContact O-N 2.91Å
167I32.4Very low35.9Very low155 Ų155145.2 Ų145.280%0.79575%0.75SS**  trans-72.983.2170.1-61.9166.9000107.3
168V34.8Very low36.2Very low114 Ų114142.1 Ų142.169%0.69175%0.749SS**  trans-136.2101.3156-174.40000108.9D166 R170D166-V168 VanDerWaalsContact C-N 3.26Å; D166-V168 PolarHBondContact O-N 2.91Å; V168-R170 PolarHBondContact O-N 2.87Å
169S32.6Very low36.3Very low118 Ų118143 Ų14383%0.82575%0.753SS**  trans-40.3106173.6-50.40000112.4
170R30.9Very low36.9Very low211 Ų211143.4 Ų143.480%0.79675%0.75SS**  trans-122.2136.1166.1-84.4-176.5168173.7-3.9110.2V168V168-R170 PolarHBondContact O-N 2.87Å
171P36.1Very low38.1Very low118 Ų118138.2 Ų138.277%0.76673%0.725SS**  trans-76.7152.2-161.830-31.5000112.2K173P171-K173 PolarHBondContact O-N 3.33Å
172A37.9Very low39.7Very low106 Ų106137.1 Ų137.188%0.87671%0.712SS**  trans-3194.3-175.100000114R174A172-R174 PolarHBondContact O-N 3.05Å; A172-R174 VanDerWaalsContact O-N 3.13Å
173K37.6Very low41.6Very low175 Ų175131.3 Ų131.376%0.76168%0.681SS**  trans-63.9115.3172.3-81.7177.2176.8169.90108.3P171 R175P171-K173 PolarHBondContact O-N 3.33Å; K173-R175 PolarHBondContact O-N 3.25Å
174R33.9Very low43.3Very low236 Ų236125.2 Ų125.289%0.89165%0.65SS**  trans-30.1124.8165.6-80174.6160.4165.8-5.9110.6A172 K176A172-R174 PolarHBondContact O-N 3.05Å; A172-R174 VanDerWaalsContact O-N 3.13Å; R174-K176 PolarHBondContact O-N 2.77Å
175R36.6Very low45.3Very low251 Ų251125.7 Ų125.795%0.94764%0.643SS**  trans-43102.8175.3-76.8-179.7171.9168.3-2.6108.9K173 S177K173-R175 PolarHBondContact O-N 3.25Å; R175-S177 PolarHBondContact O-N 2.85Å; R175-S177 VanDerWaalsContact O-N 3.13Å
176K38.2Very low47.7Very low176 Ų176118.9 Ų118.977%0.76561%0.607SS**  trans-57.5122.4177.3-82.3-177.1173-176.70107R174R174-K176 PolarHBondContact O-N 2.77Å
177S39.6Very low50.4Low74 Ų74111.3 Ų111.352%0.51757%0.566SS.*  trans-44.6149.6-179.651.50000112.9R175 I179R175-S177 PolarHBondContact O-N 2.85Å; R175-S177 VanDerWaalsContact O-N 3.13Å; S177-I179 PolarHBondContact O-N 3.27Å
178S48.1Very low53Low98 Ų98107.9 Ų107.969%0.68555%0.55SS*.G310 helixtrans-43.7-9.2179.656.80000117.9H180 S181S178-H180 PolarHBondContact O-N 3.23Å; S178-S181 PolarHBondContact O-N 3.06Å; S178-S181 VanDerWaalsContact O-N 3.09Å; S178-S181 PolarHBondContact O-OG 3Å
179I45.1Very low55.7Low123 Ų123108.4 Ų108.463%0.63154%0.539SS*.G310 helixtrans-54.2-22.3178.5-71.1171.3000113.7S177S177-I179 PolarHBondContact O-N 3.27Å
180H52.7Low58.6Low154 Ų154102.8 Ų102.871%0.71350%0.5SS*.G310 helixtrans-103.117.2-179.4-69.261.7000114.1S178 N182S178-H180 PolarHBondContact O-N 3.23Å; H180-N182 PolarHBondContact O-N 3.32Å
181S63.1Low61.6Low17 Ų1793 Ų9312%0.11946%0.464CS..  trans-69.1135.5-176.763.60000112.8S178 E186S178-S181 PolarHBondContact O-N 3.06Å; S178-S181 VanDerWaalsContact O-N 3.09Å; S178-S181 PolarHBondContact O-OG 3Å; S181-E186 WeakPolarHBondContact CB-OE1 3.22Å; S181-E186 PolarHBondContact OG-OE1 2.82Å
182N67.5Low64.4Low76 Ų7693.4 Ų93.441%0.40645%0.453SS..  trans-70.6126.1174.7-179-20.4000108.6H180 C184 M185 E186H180-N182 PolarHBondContact O-N 3.32Å; N182-C184 PolarHBondContact O-N 2.7Å; N182-C184 VanDerWaalsContact OD1-CB 3.32Å; N182-C184 WeakPolarHBondContact OD1-CB 3.36Å; N182-C184 PolarHBondContact OD1-N 3.32Å; N182-C184 PolarHBondContact OD1-SG 2.82Å; N182-M185 HydrophobicContact CB-CE 3.97Å; N182-M185 HydrophobicContact CB-CG 4.23Å; N182-M185 WeakPolarHBondContact O-CB 3.31Å; N182-M185 PolarHBondContact O-N 2.66Å; N182-E186 PolarHBondContact O-N 3.4Å
183P73.3Confident67.1Low9 Ų989.7 Ų89.76%0.05842%0.416CS..Hα-helixtrans-48-31.1175.3-3137.1000114.7P148 M185 E186 L283 R446P148-P183 HydrophobicContact CG-CB 3.61Å; P183-M185 VanDerWaalsContact C-N 3.3Å; P183-M185 PolarHBondContact O-N 3.42Å; P183-E186 WeakPolarHBondContact O-CB 3.17Å; P183-E186 PolarHBondContact O-N 3.39Å; P183-E186 VanDerWaalsContact O-N 3.16Å; P183-L283 HydrophobicContact CG-CD2 3.73Å; P183-R446 WeakPolarHBondContact CB-O 3.47Å; P183-R446 HydrophobicContact CG-CB 3.87Å
184C70.5Confident69.9Low16 Ų1681.3 Ų81.311%0.10838%0.38CS..Hα-helixtrans-60.6-35.2174-67.70000114.2P148 A149 N182 E186P148-C184 VanDerWaalsContact CB-SG 3.59Å; P148-C184 VanDerWaalsContact O-CA 3.3Å; P148-C184 WeakPolarHBondContact O-CA 3.48Å; A149-C184 PolarHBondContact O-SG 2.85Å; N182-C184 PolarHBondContact O-N 2.7Å; N182-C184 VanDerWaalsContact OD1-CB 3.32Å; N182-C184 WeakPolarHBondContact OD1-CB 3.36Å; N182-C184 PolarHBondContact OD1-N 3.32Å; N182-C184 PolarHBondContact OD1-SG 2.82Å; C184-E186 VanDerWaalsContact C-N 3.28Å
185M74.6Confident72.9Confident102 Ų10271.5 Ų71.550%0.50234%0.343SS..Hα-helixtrans-82-14179.3-60.7-166.9-60.500112.2N182 P183N182-M185 HydrophobicContact CB-CE 3.97Å; N182-M185 HydrophobicContact CB-CG 4.23Å; N182-M185 WeakPolarHBondContact O-CB 3.31Å; N182-M185 PolarHBondContact O-N 2.66Å; P183-M185 VanDerWaalsContact C-N 3.3Å; P183-M185 PolarHBondContact O-N 3.42Å
186E84.9Confident75.8Confident8 Ų862.8 Ų62.84%0.03732%0.315CS..Hα-helixtrans-88-23.1-174.9-70.3-56.515400112.5S181 N182 P183 C184 N188 R189 L190 Y445S181-E186 WeakPolarHBondContact CB-OE1 3.22Å; S181-E186 PolarHBondContact OG-OE1 2.82Å; N182-E186 PolarHBondContact O-N 3.4Å; P183-E186 WeakPolarHBondContact O-CB 3.17Å; P183-E186 PolarHBondContact O-N 3.39Å; P183-E186 VanDerWaalsContact O-N 3.16Å; C184-E186 VanDerWaalsContact C-N 3.28Å; E186-N188 PolarHBondContact O-N 2.83Å; E186-R189 PolarHBondContact O-N 3.48Å; E186-R189 IonicContact OE1-CZ 2.68Å; E186-R189 IonicContact OE1-NH1 3.51Å; E186-R189 PolarHBondContact OE1-NH1 2.9Å; E186-R189 WeakPolarHBondContact OE2-CD 3.47Å; E186-R189 IonicContact OE2-NH1 3.74Å; E186-L190 PolarHBondContact O-N 2.74Å; E186-Y445 HydrophobicContact CB-CD1 4Å; E186-Y445 HydrophobicContact CG-CD1 4.39Å; E186-Y445 WeakPolarHBondContact OE2-CD1 3.4Å; E186-Y445 WeakPolarHBondContact OE2-CE1 3.49Å
187V88.1Confident78.6Confident0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-53-57.4175.6179.80000111W147 P148 R189 L190 L191 P251W147-V187 HydrophobicContact CB-CB 4.41Å; W147-V187 HydrophobicContact CB-CG2 3.36Å; W147-V187 HydrophobicContact CG-CG2 4.33Å; W147-V187 WeakPolarHBondContact O-CG2 3.35Å; P148-V187 VanDerWaalsContact O-CG2 3.28Å; P148-V187 WeakPolarHBondContact O-CG2 3.47Å; V187-R189 PolarHBondContact O-N 2.82Å; V187-L190 WeakPolarHBondContact O-CB 3.35Å; V187-L190 PolarHBondContact O-N 2.89Å; V187-L190 VanDerWaalsContact O-N 3.16Å; V187-L191 HydrophobicContact CG1-CD1 3.9Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 3.23Å; V187-P251 HydrophobicContact CG1-CG 4.14Å
188N87.7Confident81.3Confident83 Ų8351.4 Ų51.444%0.44426%0.257SS..Hα-helixtrans-64-32.2-176.2-68.4-33000111.9E186 K192E186-N188 PolarHBondContact O-N 2.83Å; N188-K192 WeakPolarHBondContact O-CB 3.43Å; N188-K192 PolarHBondContact O-N 2.84Å
189R90.2Very high83.6Confident126 Ų12648.4 Ų48.448%0.47523%0.233SC..Hα-helixtrans-67.8-44.6176-67.7178.6-178168.61111.3E186 V187 W193 Y445E186-R189 PolarHBondContact O-N 3.48Å; E186-R189 IonicContact OE1-CZ 2.68Å; E186-R189 IonicContact OE1-NH1 3.51Å; E186-R189 PolarHBondContact OE1-NH1 2.9Å; E186-R189 WeakPolarHBondContact OE2-CD 3.47Å; E186-R189 IonicContact OE2-NH1 3.74Å; V187-R189 PolarHBondContact O-N 2.82Å; R189-W193 VanDerWaalsContact O-CB 3.25Å; R189-W193 WeakPolarHBondContact O-CB 3.48Å; R189-W193 PolarHBondContact O-N 2.72Å; R189-Y445 HydrophobicContact CB-CE1 4.41Å
190L93.7Very high86.1Confident0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-61.8-51.2177.1176.866.3000111.2W147 E186 V187 W193 G194 P251 I288 V342 M344 Y445W147-L190 HydrophobicContact CD2-CD2 4.09Å; W147-L190 HydrophobicContact CE3-CD2 4.14Å; W147-L190 HydrophobicContact CH2-CD2 3.82Å; W147-L190 HydrophobicContact CZ2-CD2 3.75Å; W147-L190 HydrophobicContact CZ3-CD2 4.01Å; E186-L190 PolarHBondContact O-N 2.74Å; V187-L190 WeakPolarHBondContact O-CB 3.35Å; V187-L190 PolarHBondContact O-N 2.89Å; V187-L190 VanDerWaalsContact O-N 3.16Å; L190-W193 HydrophobicContact CD1-CE3 4.01Å; L190-W193 HydrophobicContact CD1-CZ3 4.18Å; L190-W193 PolarHBondContact O-N 2.78Å; L190-G194 PolarHBondContact O-N 3.23Å; L190-P251 HydrophobicContact CD2-CB 4.32Å; L190-I288 HydrophobicContact CD1-CD1 4.32Å; L190-I288 HydrophobicContact CD1-CG1 3.98Å; L190-V342 HydrophobicContact CD2-CG1 4.42Å; L190-M344 HydrophobicContact CD1-CE 3.72Å; L190-M344 HydrophobicContact CD2-CE 4.3Å; L190-M344 HydrophobicContact CG-CE 3.68Å; L190-Y445 HydrophobicContact CB-CE1 3.86Å; L190-Y445 HydrophobicContact CD1-CE1 4.46Å; L190-Y445 HydrophobicContact CD1-CE2 4.08Å
191L94.4Very high88.2Confident6 Ų638.2 Ų38.23%0.03119%0.188CC..Hα-helixtrans-66.6-43.5-177.7-63.8-179.9000111.8V187 W193 G194 W195 T234 P236 F238 P251V187-L191 HydrophobicContact CG1-CD1 3.9Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 3.23Å; L191-W193 VanDerWaalsContact C-N 3.34Å; L191-W193 PolarHBondContact O-N 2.9Å; L191-G194 PolarHBondContact O-N 2.96Å; L191-W195 VanDerWaalsContact O-CB 3.3Å; L191-W195 WeakPolarHBondContact O-CB 3.08Å; L191-W195 PolarHBondContact O-N 2.91Å; L191-T234 HydrophobicContact CD2-CG2 4.02Å; L191-P236 WeakPolarHBondContact CD1-O 3.45Å; L191-F238 HydrophobicContact CB-CD2 4.43Å; L191-F238 HydrophobicContact CD2-CB 4.34Å; L191-F238 HydrophobicContact CD2-CD2 4.04Å; L191-P251 HydrophobicContact CD1-CG 4.28Å; L191-P251 HydrophobicContact CD2-CG 3.98Å; L191-P251 HydrophobicContact CG-CG 4.32Å
192K93.9Very high89.8Confident125 Ų12537.4 Ų37.454%0.54318%0.182SC..Hα-helixtrans-60.2-44.6175179.4167.417648.10111.7N188 W195 D196N188-K192 WeakPolarHBondContact O-CB 3.43Å; N188-K192 PolarHBondContact O-N 2.84Å; K192-W195 PolarHBondContact O-N 3.21Å; K192-D196 WeakPolarHBondContact CE-OD2 3.43Å; K192-D196 IonicContact NZ-OD1 2.73Å; K192-D196 PolarHBondContact NZ-OD1 2.94Å; K192-D196 IonicContact NZ-OD2 2.7Å; K192-D196 PolarHBondContact NZ-OD2 3.47Å; K192-D196 WeakPolarHBondContact O-CB 3.06Å; K192-D196 PolarHBondContact O-N 2.71Å
193W95Very high91.2Very high28 Ų2840.3 Ų40.311%0.10619%0.194CC..Hα-helixtrans-59.1-50.4177161.374000111.4R189 L190 L191 W195 D196 V197 I288 L291 A300 M344 Y437 L439 Q443R189-W193 VanDerWaalsContact O-CB 3.25Å; R189-W193 WeakPolarHBondContact O-CB 3.48Å; R189-W193 PolarHBondContact O-N 2.72Å; L190-W193 HydrophobicContact CD1-CE3 4.01Å; L190-W193 HydrophobicContact CD1-CZ3 4.18Å; L190-W193 PolarHBondContact O-N 2.78Å; L191-W193 VanDerWaalsContact C-N 3.34Å; L191-W193 PolarHBondContact O-N 2.9Å; W193-W195 VanDerWaalsContact C-N 3.25Å; W193-W195 PolarHBondContact O-N 2.8Å; W193-D196 PolarHBondContact O-N 2.89Å; W193-V197 WeakPolarHBondContact O-CB 3.3Å; W193-V197 VanDerWaalsContact O-CG2 3.29Å; W193-V197 WeakPolarHBondContact O-CG2 3.32Å; W193-V197 PolarHBondContact O-N 2.93Å; W193-I288 HydrophobicContact CH2-CG2 3.45Å; W193-I288 VanDerWaalsContact CH2-CG2 3.45Å; W193-I288 HydrophobicContact CZ2-CG2 4.21Å; W193-I288 HydrophobicContact CZ3-CG2 3.64Å; W193-L291 HydrophobicContact CH2-CB 4.36Å; W193-A300 HydrophobicContact CZ3-CB 4.11Å; W193-M344 HydrophobicContact CE3-CE 4.36Å; W193-M344 HydrophobicContact CZ3-CE 4.1Å; W193-Y437 HydrophobicContact CZ2-CD1 4.19Å; W193-Y437 AromaticContact CZ2-CE1 3.93Å; W193-Y437 HydrophobicContact CZ2-CE1 3.93Å; W193-L439 HydrophobicContact CZ2-CD1 3.89Å; W193-L439 HydrophobicContact CZ2-CD2 4.39Å; W193-L439 HydrophobicContact CZ2-CG 4.26Å; W193-Q443 VanDerWaalsContact CD1-NE2 3.26Å; W193-Q443 VanDerWaalsContact NE1-NE2 3.11Å
194G96.9Very high92.3Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-61.2-37.3179.700000112L190 L191 L198 F238L190-G194 PolarHBondContact O-N 3.23Å; L191-G194 PolarHBondContact O-N 2.96Å; G194-L198 WeakPolarHBondContact O-CB 3.21Å; G194-L198 PolarHBondContact O-N 3.23Å; G194-F238 VanDerWaalsContact C-CE2 3.45Å
195W97Very high93.1Very high29 Ų2946 Ų4611%0.1123%0.229CC..Hα-helixtrans-68.5-47.6178.4-178.5-111.4000112.6L191 K192 W193 V197 L198 N199 I227 F238 L242L191-W195 VanDerWaalsContact O-CB 3.3Å; L191-W195 WeakPolarHBondContact O-CB 3.08Å; L191-W195 PolarHBondContact O-N 2.91Å; K192-W195 PolarHBondContact O-N 3.21Å; W193-W195 VanDerWaalsContact C-N 3.25Å; W193-W195 PolarHBondContact O-N 2.8Å; W195-V197 VanDerWaalsContact C-N 3.26Å; W195-V197 PolarHBondContact O-N 2.84Å; W195-L198 HydrophobicContact CE3-CD2 3.99Å; W195-L198 HydrophobicContact CZ3-CD2 3.88Å; W195-L198 PolarHBondContact O-N 3.2Å; W195-N199 PolarHBondContact NE1-ND2 3.24Å; W195-N199 PolarHBondContact O-N 3.12Å; W195-N199 PolarHBondContact O-ND2 3.24Å; W195-I227 HydrophobicContact CH2-CD1 3.95Å; W195-I227 HydrophobicContact CH2-CG1 4.47Å; W195-I227 HydrophobicContact CH2-CG2 3.68Å; W195-I227 HydrophobicContact CZ2-CD1 4.38Å; W195-I227 HydrophobicContact CZ3-CG2 4.27Å; W195-F238 HydrophobicContact CB-CE2 4.13Å; W195-F238 HydrophobicContact CE3-CE1 4.34Å; W195-F238 HydrophobicContact CE3-CZ 4.42Å; W195-F238 VanDerWaalsContact N-CE2 3.3Å; W195-L242 HydrophobicContact CH2-CG 4.34Å; W195-L242 HydrophobicContact CZ3-CD1 4.23Å; W195-L242 HydrophobicContact CZ3-CD2 4.31Å; W195-L242 HydrophobicContact CZ3-CG 3.91Å
196D96.6Very high93.9Very high69 Ų6943.1 Ų43.137%0.36923%0.225SC..Hα-helixtrans-61.4-38.7177.9-66.8-12.5000110.1K192 W193 T200K192-D196 WeakPolarHBondContact CE-OD2 3.43Å; K192-D196 IonicContact NZ-OD1 2.73Å; K192-D196 PolarHBondContact NZ-OD1 2.94Å; K192-D196 IonicContact NZ-OD2 2.7Å; K192-D196 PolarHBondContact NZ-OD2 3.47Å; K192-D196 WeakPolarHBondContact O-CB 3.06Å; K192-D196 PolarHBondContact O-N 2.71Å; W193-D196 PolarHBondContact O-N 2.89Å; D196-T200 WeakPolarHBondContact O-CB 3.48Å; D196-T200 PolarHBondContact O-N 3.05Å; D196-T200 VanDerWaalsContact O-N 3.15Å; D196-T200 PolarHBondContact O-OG1 3.25Å
197V97.2Very high94.4Very high10 Ų1042.9 Ų42.96%0.06122%0.224CC..Hα-helixtrans-65.9-47174.7168.10000111.7W193 W195 N199 T200 I201 L291 Y437W193-V197 WeakPolarHBondContact O-CB 3.3Å; W193-V197 VanDerWaalsContact O-CG2 3.29Å; W193-V197 WeakPolarHBondContact O-CG2 3.32Å; W193-V197 PolarHBondContact O-N 2.93Å; W195-V197 VanDerWaalsContact C-N 3.26Å; W195-V197 PolarHBondContact O-N 2.84Å; V197-N199 PolarHBondContact O-N 3.25Å; V197-T200 PolarHBondContact O-N 3.06Å; V197-I201 HydrophobicContact CG1-CD1 3.59Å; V197-I201 HydrophobicContact CG1-CG1 4.35Å; V197-I201 VanDerWaalsContact O-CG1 3.32Å; V197-I201 WeakPolarHBondContact O-CG1 3.19Å; V197-I201 PolarHBondContact O-N 3.25Å; V197-L291 HydrophobicContact CG1-CB 4.49Å; V197-L291 HydrophobicContact CG1-CD2 3.94Å; V197-Y437 HydrophobicContact CG1-CD1 3.53Å; V197-Y437 HydrophobicContact CG1-CE1 3.95Å; V197-Y437 HydrophobicContact CG1-CG 3.91Å; V197-Y437 HydrophobicContact CG2-CD1 4.17Å; V197-Y437 HydrophobicContact CG2-CE1 3.73Å
198L97.2Very high94.7Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-56.7-51.1179.1176.264.6000111.4G194 W195 T200 I201 I202 F238 I293 I298G194-L198 WeakPolarHBondContact O-CB 3.21Å; G194-L198 PolarHBondContact O-N 3.23Å; W195-L198 HydrophobicContact CE3-CD2 3.99Å; W195-L198 HydrophobicContact CZ3-CD2 3.88Å; W195-L198 PolarHBondContact O-N 3.2Å; L198-T200 VanDerWaalsContact C-N 3.33Å; L198-T200 PolarHBondContact O-N 2.73Å; L198-I201 PolarHBondContact O-N 3.24Å; L198-I201 VanDerWaalsContact O-N 3.14Å; L198-I202 HydrophobicContact CD1-CD1 3.85Å; L198-I202 HydrophobicContact CD1-CG1 4.17Å; L198-I202 HydrophobicContact CG-CD1 3.85Å; L198-I202 HydrophobicContact CG-CG1 4.49Å; L198-I202 WeakPolarHBondContact O-CG1 3.28Å; L198-I202 PolarHBondContact O-N 3.02Å; L198-F238 HydrophobicContact CD2-CE1 3.99Å; L198-F238 HydrophobicContact CD2-CZ 4.31Å; L198-I293 HydrophobicContact CD1-CD1 3.68Å; L198-I293 HydrophobicContact CD1-CG1 4.13Å; L198-I293 HydrophobicContact CD1-CG2 4.23Å; L198-I298 HydrophobicContact CD1-CD1 3.69Å; L198-I298 HydrophobicContact CD2-CD1 3.62Å; L198-I298 HydrophobicContact CG-CD1 4.29Å
199N96.2Very high95Very high35 Ų3547.2 Ų47.219%0.18724%0.237CC..Hα-helixtrans-58.6-46.2178.7-77.1-75.4000111.4W195 V197 I201 I202 E203 I227W195-N199 PolarHBondContact NE1-ND2 3.24Å; W195-N199 PolarHBondContact O-N 3.12Å; W195-N199 PolarHBondContact O-ND2 3.24Å; V197-N199 PolarHBondContact O-N 3.25Å; N199-I201 VanDerWaalsContact C-N 3.27Å; N199-I201 PolarHBondContact O-N 3.48Å; N199-I202 PolarHBondContact O-N 3.38Å; N199-E203 WeakPolarHBondContact O-CG 3.25Å; N199-E203 PolarHBondContact O-N 2.94Å; N199-E203 VanDerWaalsContact O-N 3.08Å; N199-I227 WeakPolarHBondContact OD1-CD1 3.42Å
200T97Very high95.2Very high62 Ų6243.6 Ų43.638%0.3823%0.226SC..Hα-helixtrans-57.7-41.8177.2-55.90000111.4D196 V197 L198 L204 I378D196-T200 WeakPolarHBondContact O-CB 3.48Å; D196-T200 PolarHBondContact O-N 3.05Å; D196-T200 VanDerWaalsContact O-N 3.15Å; D196-T200 PolarHBondContact O-OG1 3.25Å; V197-T200 PolarHBondContact O-N 3.06Å; L198-T200 VanDerWaalsContact C-N 3.33Å; L198-T200 PolarHBondContact O-N 2.73Å; T200-L204 WeakPolarHBondContact O-CG 3.47Å; T200-L204 PolarHBondContact O-N 2.63Å; T200-I378 HydrophobicContact CG2-CB 4.18Å; T200-I378 HydrophobicContact CG2-CD1 4.19Å; T200-I378 HydrophobicContact CG2-CG2 4Å
201I97.6Very high95.3Very high1 Ų144.1 Ų44.11%0.00523%0.228CC..Hα-helixtrans-69.8-43.3-179.2-70.6169.9000111.3V197 L198 N199 E203 L204 V207 I293 I378 V383 Y435 Y437V197-I201 HydrophobicContact CG1-CD1 3.59Å; V197-I201 HydrophobicContact CG1-CG1 4.35Å; V197-I201 VanDerWaalsContact O-CG1 3.32Å; V197-I201 WeakPolarHBondContact O-CG1 3.19Å; V197-I201 PolarHBondContact O-N 3.25Å; L198-I201 PolarHBondContact O-N 3.24Å; L198-I201 VanDerWaalsContact O-N 3.14Å; N199-I201 VanDerWaalsContact C-N 3.27Å; N199-I201 PolarHBondContact O-N 3.48Å; I201-E203 PolarHBondContact O-N 3.45Å; I201-L204 WeakPolarHBondContact O-CB 3.35Å; I201-L204 PolarHBondContact O-N 3.17Å; I201-L204 VanDerWaalsContact O-N 3.11Å; I201-V207 HydrophobicContact CG2-CG1 4.1Å; I201-V207 WeakPolarHBondContact O-CB 3.08Å; I201-V207 WeakPolarHBondContact O-CG1 3.35Å; I201-I293 HydrophobicContact CB-CD1 4.21Å; I201-I293 HydrophobicContact CD1-CD1 3.63Å; I201-I293 HydrophobicContact CG2-CD1 4Å; I201-I378 HydrophobicContact CD1-CD1 4.44Å; I201-I378 HydrophobicContact CG1-CD1 4.03Å; I201-V383 HydrophobicContact CD1-CG1 4.5Å; I201-V383 HydrophobicContact CD1-CG2 4.1Å; I201-V383 HydrophobicContact CG1-CG1 4.43Å; I201-V383 HydrophobicContact CG1-CG2 3.85Å; I201-V383 HydrophobicContact CG2-CG1 4.46Å; I201-Y435 HydrophobicContact CG2-CG 4.44Å; I201-Y437 HydrophobicContact CD1-CG 4.43Å
202I96.7Very high95.4Very high1 Ų144 Ų441%0.00523%0.228CC..Hα-helixtrans-60.4-38.9178.6-65.6169.6000110.3L198 N199 L204 H208 L211 V223 V226 I227 W230L198-I202 HydrophobicContact CD1-CD1 3.85Å; L198-I202 HydrophobicContact CD1-CG1 4.17Å; L198-I202 HydrophobicContact CG-CD1 3.85Å; L198-I202 HydrophobicContact CG-CG1 4.49Å; L198-I202 WeakPolarHBondContact O-CG1 3.28Å; L198-I202 PolarHBondContact O-N 3.02Å; N199-I202 PolarHBondContact O-N 3.38Å; I202-L204 PolarHBondContact O-N 3.25Å; I202-H208 WeakPolarHBondContact O-CA 3.41Å; I202-H208 VanDerWaalsContact O-CB 3.24Å; I202-H208 WeakPolarHBondContact O-CB 3.08Å; I202-H208 PolarHBondContact O-N 3.18Å; I202-L211 HydrophobicContact CG1-CD1 3.87Å; I202-L211 HydrophobicContact CG2-CD1 4.41Å; I202-V223 HydrophobicContact CG2-CB 4.47Å; I202-V223 HydrophobicContact CG2-CG1 3.93Å; I202-V223 HydrophobicContact CG2-CG2 4.24Å; I202-V226 HydrophobicContact CD1-CG1 4.38Å; I202-V226 HydrophobicContact CG2-CG1 4.22Å; I202-I227 HydrophobicContact CD1-CD1 4.44Å; I202-I227 HydrophobicContact CD1-CG1 3.75Å; I202-W230 HydrophobicContact CD1-CZ3 4.26Å
203E96Very high95.4Very high137 Ų13741.5 Ų41.564%0.6422%0.221SC*.THydrogen-bonded Turntrans-73.9-7.5178.8-70.3-178.3-176.700114.7N199 I201 V223N199-E203 WeakPolarHBondContact O-CG 3.25Å; N199-E203 PolarHBondContact O-N 2.94Å; N199-E203 VanDerWaalsContact O-N 3.08Å; I201-E203 PolarHBondContact O-N 3.45Å; E203-V223 HydrophobicContact CG-CG2 4.26Å
204L96.2Very high95.2Very high22 Ų2243.6 Ų43.612%0.11524%0.243CC..SBendtrans-63.7142.9178.4-71.2174000111.3T200 I201 I202 G206 V207 V375 A376 I378 V383T200-L204 WeakPolarHBondContact O-CG 3.47Å; T200-L204 PolarHBondContact O-N 2.63Å; I201-L204 WeakPolarHBondContact O-CB 3.35Å; I201-L204 PolarHBondContact O-N 3.17Å; I201-L204 VanDerWaalsContact O-N 3.11Å; I202-L204 PolarHBondContact O-N 3.25Å; L204-G206 PolarHBondContact O-N 3.34Å; L204-V207 HydrophobicContact CB-CB 4.1Å; L204-V207 HydrophobicContact CB-CG2 3.69Å; L204-V207 HydrophobicContact CD1-CG2 4.47Å; L204-V207 PolarHBondContact O-N 2.8Å; L204-V375 HydrophobicContact CD1-CG1 4.21Å; L204-A376 HydrophobicContact CD1-CB 3.72Å; L204-A376 HydrophobicContact CD2-CB 3.65Å; L204-A376 HydrophobicContact CG-CB 4.32Å; L204-I378 HydrophobicContact CD1-CG2 4.31Å; L204-I378 HydrophobicContact CD2-CG2 4.09Å; L204-V383 HydrophobicContact CD1-CB 4.28Å; L204-V383 HydrophobicContact CD1-CG1 4.33Å; L204-V383 HydrophobicContact CD1-CG2 4.07Å
205P88.2Confident95.1Very high123 Ų12345 Ų4580%0.79925%0.25SC*.THydrogen-bonded Turntrans-52.6127.4178-26.834.4000112.3V207P205-V207 PolarHBondContact O-N 2.82Å
206G91.4Very high94.9Very high41 Ų4146.9 Ų46.942%0.42328%0.278SS..THydrogen-bonded Turntrans82.5-31.9-178.900000114.7L204 H208 Y209 E210L204-G206 PolarHBondContact O-N 3.34Å; G206-H208 PolarHBondContact O-N 2.7Å; G206-Y209 WeakPolarHBondContact O-CB 3Å; G206-Y209 PolarHBondContact O-N 3.19Å; G206-E210 WeakPolarHBondContact O-CG 3.32Å; G206-E210 PolarHBondContact O-N 3.44Å
207V96.2Very high94.9Very high2 Ų245.9 Ų45.91%0.01227%0.272CS..Hα-helixtrans-62.8-47.7-178.4176.90000111.4I201 L204 P205 Y209 E210 L211 V375 Y435I201-V207 HydrophobicContact CG2-CG1 4.1Å; I201-V207 WeakPolarHBondContact O-CB 3.08Å; I201-V207 WeakPolarHBondContact O-CG1 3.35Å; L204-V207 HydrophobicContact CB-CB 4.1Å; L204-V207 HydrophobicContact CB-CG2 3.69Å; L204-V207 HydrophobicContact CD1-CG2 4.47Å; L204-V207 PolarHBondContact O-N 2.8Å; P205-V207 PolarHBondContact O-N 2.82Å; V207-Y209 VanDerWaalsContact C-N 3.27Å; V207-Y209 PolarHBondContact O-N 2.83Å; V207-E210 PolarHBondContact O-N 3.24Å; V207-L211 HydrophobicContact CG1-CD1 4.01Å; V207-L211 HydrophobicContact CG1-CG 4.4Å; V207-L211 WeakPolarHBondContact O-CG 3.3Å; V207-L211 PolarHBondContact O-N 3.03Å; V207-V375 HydrophobicContact CG2-CG1 3.97Å; V207-Y435 HydrophobicContact CB-CE1 4.3Å; V207-Y435 HydrophobicContact CG1-CD1 4.47Å; V207-Y435 HydrophobicContact CG1-CD2 4.37Å; V207-Y435 HydrophobicContact CG1-CE1 3.93Å; V207-Y435 HydrophobicContact CG1-CE2 3.83Å; V207-Y435 HydrophobicContact CG2-CD1 4.39Å; V207-Y435 HydrophobicContact CG2-CE1 3.6Å
208H94.4Very high94.8Very high49 Ų4949.2 Ų49.223%0.22729%0.294CS..Hα-helixtrans-53.4-47.5176.1-170.4-153.5000111.7I202 G206 L211 I212 A221 T222I202-H208 WeakPolarHBondContact O-CA 3.41Å; I202-H208 VanDerWaalsContact O-CB 3.24Å; I202-H208 WeakPolarHBondContact O-CB 3.08Å; I202-H208 PolarHBondContact O-N 3.18Å; G206-H208 PolarHBondContact O-N 2.7Å; H208-L211 PolarHBondContact O-N 3.42Å; H208-I212 WeakPolarHBondContact O-CG1 3.45Å; H208-I212 PolarHBondContact O-N 3.28Å; H208-A221 PolarHBondContact CE1-O 3.18Å; H208-A221 PolarHBondContact NE2-O 3.42Å; H208-T222 PolarHBondContact NE2-O 2.73Å
209Y93.8Very high94.6Very high125 Ų12554.2 Ų54.249%0.4932%0.318SS..Hα-helixtrans-64.7-42.4-179.9-175.6-98.3000112.7G206 V207 L211 I212 N213 Q219G206-Y209 WeakPolarHBondContact O-CB 3Å; G206-Y209 PolarHBondContact O-N 3.19Å; V207-Y209 VanDerWaalsContact C-N 3.27Å; V207-Y209 PolarHBondContact O-N 2.83Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 3.04Å; Y209-I212 PolarHBondContact O-N 3.41Å; Y209-N213 WeakPolarHBondContact CD1-ND2 3.24Å; Y209-N213 WeakPolarHBondContact CE1-ND2 3.1Å; Y209-N213 PolarHBondContact O-N 2.93Å; Y209-N213 VanDerWaalsContact O-N 3.08Å; Y209-N213 PolarHBondContact O-ND2 2.9Å; Y209-Q219 VanDerWaalsContact CZ-OE1 3.3Å; Y209-Q219 PolarHBondContact OH-OE1 3.12Å
210E94.8Very high94.5Very high51 Ų5159.2 Ų59.224%0.23834%0.344CS..Hα-helixtrans-61.9-41175.6-74.6-175.5-151.300111.7G206 V207 N213 A214 R385 Y435G206-E210 WeakPolarHBondContact O-CG 3.32Å; G206-E210 PolarHBondContact O-N 3.44Å; V207-E210 PolarHBondContact O-N 3.24Å; E210-N213 PolarHBondContact O-N 2.95Å; E210-A214 VanDerWaalsContact O-CB 3.31Å; E210-A214 WeakPolarHBondContact O-CB 3.43Å; E210-A214 PolarHBondContact O-N 3.37Å; E210-R385 IonicContact OE1-CZ 3.04Å; E210-R385 IonicContact OE1-NH1 2.69Å; E210-R385 PolarHBondContact OE1-NH1 3.26Å; E210-R385 WeakPolarHBondContact OE2-CD 3.49Å; E210-Y435 VanDerWaalsContact CD-OH 3.25Å; E210-Y435 PolarHBondContact OE2-OH 3.29Å
211L95.6Very high94.4Very high10 Ų1056.6 Ų56.65%0.05233%0.329CS..Hα-helixtrans-68.1-42.9177.2-67.8172.9000112.1I202 V207 H208 Y209 N213 A214 F215 V226 W230 Y435I202-L211 HydrophobicContact CG1-CD1 3.87Å; I202-L211 HydrophobicContact CG2-CD1 4.41Å; V207-L211 HydrophobicContact CG1-CD1 4.01Å; V207-L211 HydrophobicContact CG1-CG 4.4Å; V207-L211 WeakPolarHBondContact O-CG 3.3Å; V207-L211 PolarHBondContact O-N 3.03Å; H208-L211 PolarHBondContact O-N 3.42Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 3.04Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.81Å; L211-A214 PolarHBondContact O-N 3.13Å; L211-F215 HydrophobicContact CB-CE2 4.16Å; L211-F215 HydrophobicContact CB-CZ 4.46Å; L211-F215 HydrophobicContact CD2-CE1 4.46Å; L211-F215 HydrophobicContact CD2-CE2 4.28Å; L211-F215 HydrophobicContact CD2-CZ 3.82Å; L211-F215 WeakPolarHBondContact O-CB 3.38Å; L211-F215 WeakPolarHBondContact O-CD2 3.45Å; L211-F215 WeakPolarHBondContact O-CG 3.21Å; L211-F215 PolarHBondContact O-N 3.2Å; L211-V226 HydrophobicContact CB-CG1 3.82Å; L211-V226 HydrophobicContact CD1-CG1 3.91Å; L211-V226 HydrophobicContact CG-CG1 4.48Å; L211-W230 HydrophobicContact CD1-CH2 4.47Å; L211-W230 HydrophobicContact CD2-CH2 4.41Å; L211-Y435 HydrophobicContact CD2-CE2 4.15Å; L211-Y435 HydrophobicContact CG-CE2 4.4Å
212I95.2Very high94.3Very high4 Ų459.9 Ų59.92%0.02135%0.35CS..Hα-helixtrans-53.3-49.6173.6-74.8173.1000110.5H208 Y209 F215 G216 L217 P218 A221 V226H208-I212 WeakPolarHBondContact O-CG1 3.45Å; H208-I212 PolarHBondContact O-N 3.28Å; Y209-I212 PolarHBondContact O-N 3.41Å; I212-F215 PolarHBondContact O-N 2.93Å; I212-G216 PolarHBondContact O-N 3.4Å; I212-L217 HydrophobicContact CB-CB 4.49Å; I212-L217 HydrophobicContact CG2-CB 4.05Å; I212-L217 WeakPolarHBondContact CG2-O 3.44Å; I212-L217 PolarHBondContact O-N 3Å; I212-P218 VanDerWaalsContact CG2-O 3.23Å; I212-P218 WeakPolarHBondContact CG2-O 3.48Å; I212-A221 HydrophobicContact CD1-CB 4.03Å; I212-A221 WeakPolarHBondContact CD1-O 2.78Å; I212-A221 HydrophobicContact CG1-CB 4.08Å; I212-V226 HydrophobicContact CG1-CG2 3.69Å
213N93.7Very high94.1Very high73 Ų7361.5 Ų61.539%0.3936%0.359SS..Hα-helixtrans-66-42.3179.5-70.8-30.3000112.3Y209 E210 L211 F215 G216 Q219Y209-N213 WeakPolarHBondContact CD1-ND2 3.24Å; Y209-N213 WeakPolarHBondContact CE1-ND2 3.1Å; Y209-N213 PolarHBondContact O-N 2.93Å; Y209-N213 VanDerWaalsContact O-N 3.08Å; Y209-N213 PolarHBondContact O-ND2 2.9Å; E210-N213 PolarHBondContact O-N 2.95Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.81Å; N213-F215 PolarHBondContact O-N 3.33Å; N213-G216 PolarHBondContact O-N 3.2Å; N213-Q219 PolarHBondContact OD1-NE2 3.43Å
214A92.3Very high93.9Very high71 Ų7158.6 Ų58.659%0.58735%0.346SS*.Hα-helixtrans-62-33.1178.200000112.2E210 L211E210-A214 VanDerWaalsContact O-CB 3.31Å; E210-A214 WeakPolarHBondContact O-CB 3.43Å; E210-A214 PolarHBondContact O-N 3.37Å; L211-A214 PolarHBondContact O-N 3.13Å
215F94Very high93.8Very high30 Ų3060.9 Ų60.913%0.13236%0.358CS..Hα-helixtrans-92.9-2.2-178.9-57.5-16.1000113.3L211 I212 N213 L217 V226 H229 W230L211-F215 HydrophobicContact CB-CE2 4.16Å; L211-F215 HydrophobicContact CB-CZ 4.46Å; L211-F215 HydrophobicContact CD2-CE1 4.46Å; L211-F215 HydrophobicContact CD2-CE2 4.28Å; L211-F215 HydrophobicContact CD2-CZ 3.82Å; L211-F215 WeakPolarHBondContact O-CB 3.38Å; L211-F215 WeakPolarHBondContact O-CD2 3.45Å; L211-F215 WeakPolarHBondContact O-CG 3.21Å; L211-F215 PolarHBondContact O-N 3.2Å; I212-F215 PolarHBondContact O-N 2.93Å; N213-F215 PolarHBondContact O-N 3.33Å; F215-L217 HydrophobicContact CB-CD1 3.93Å; F215-L217 HydrophobicContact CB-CG 3.82Å; F215-L217 HydrophobicContact CD2-CD1 4.17Å; F215-L217 PolarHBondContact O-N 3.23Å; F215-V226 HydrophobicContact CD2-CG1 4.19Å; F215-V226 HydrophobicContact CE2-CG1 3.81Å; F215-H229 AromaticContact CD1-CD2 3.97Å; F215-H229 AromaticContact CD1-CE1 3.77Å; F215-H229 AromaticContact CD1-ND1 3.99Å; F215-H229 AromaticContact CD1-NE2 3.76Å; F215-H229 HydrophobicContact CD2-CB 3.76Å; F215-H229 AromaticContact CD2-CG 3.7Å; F215-H229 AromaticContact CE1-CD2 3.69Å; F215-H229 AromaticContact CE1-NE2 3.64Å; F215-H229 HydrophobicContact CE2-CB 3.83Å; F215-H229 AromaticContact CE2-CD2 3.75Å; F215-H229 AromaticContact CE2-CG 3.76Å; F215-H229 HydrophobicContact CG-CB 4.38Å; F215-H229 AromaticContact CG-CG 3.87Å; F215-H229 AromaticContact CG-ND1 3.82Å; F215-H229 AromaticContact CZ-CD2 3.57Å; F215-W230 AromaticContact CE2-CH2 3.66Å; F215-W230 HydrophobicContact CE2-CH2 3.66Å; F215-W230 HydrophobicContact CE2-CZ2 4.01Å; F215-W230 HydrophobicContact CE2-CZ3 4.01Å; F215-W230 AromaticContact CZ-CH2 3.56Å; F215-W230 HydrophobicContact CZ-CH2 3.56Å; F215-W230 AromaticContact CZ-CZ2 3.47Å; F215-W230 HydrophobicContact CZ-CZ2 3.47Å; F215-W230 VanDerWaalsContact CZ-CZ2 3.47Å; F215-W230 HydrophobicContact CZ-CZ3 4.32Å
216G93.3Very high94.1Very high69 Ų6955 Ų5571%0.71132%0.32SS*.THydrogen-bonded Turntrans64.129.6-177.500000113I212 N213I212-G216 PolarHBondContact O-N 3.4Å; N213-G216 PolarHBondContact O-N 3.2Å
217L95Very high94.3Very high47 Ų4753.1 Ų53.125%0.24630%0.3CS..  trans-81.8157.4179.4-65.5173.5000111.2I212 F215 A221 V226I212-L217 HydrophobicContact CB-CB 4.49Å; I212-L217 HydrophobicContact CG2-CB 4.05Å; I212-L217 WeakPolarHBondContact CG2-O 3.44Å; I212-L217 PolarHBondContact O-N 3Å; F215-L217 HydrophobicContact CB-CD1 3.93Å; F215-L217 HydrophobicContact CB-CG 3.82Å; F215-L217 HydrophobicContact CD2-CD1 4.17Å; F215-L217 PolarHBondContact O-N 3.23Å; L217-A221 HydrophobicContact CB-CB 3.93Å; L217-A221 HydrophobicContact CD1-CB 4.5Å; L217-V226 HydrophobicContact CD1-CG2 3.87Å
218P96Very high94.2Very high80 Ų8055.1 Ų55.152%0.51931%0.314SS..  trans-54.7148170.2-24.835.2000112.1I212 D220 A221I212-P218 VanDerWaalsContact CG2-O 3.23Å; I212-P218 WeakPolarHBondContact CG2-O 3.48Å; P218-D220 WeakPolarHBondContact CB-OD1 3.2Å; P218-D220 PolarHBondContact O-N 2.87Å; P218-A221 WeakPolarHBondContact O-CB 3.43Å; P218-A221 PolarHBondContact O-N 2.99Å
219Q93.1Very high94.2Very high105 Ų10555.5 Ų55.549%0.49132%0.316SS..THydrogen-bonded Turntrans-67.9-19-175.7-62.6-67-7300113.7Y209 N213Y209-Q219 VanDerWaalsContact CZ-OE1 3.3Å; Y209-Q219 PolarHBondContact OH-OE1 3.12Å; N213-Q219 PolarHBondContact OD1-NE2 3.43Å
220D94Very high94.3Very high140 Ų14049.6 Ų49.675%0.74929%0.293SS*.THydrogen-bonded Turntrans-94.47.4173.763.3-28.8000113P218 T222P218-D220 WeakPolarHBondContact CB-OD1 3.2Å; P218-D220 PolarHBondContact O-N 2.87Å; D220-T222 PolarHBondContact O-N 3.42Å
221A95.2Very high94.4Very high7 Ų748.2 Ų48.26%0.05829%0.286CS..  trans-57.1137.7177.500000111.4H208 I212 L217 P218 D225H208-A221 PolarHBondContact CE1-O 3.18Å; H208-A221 PolarHBondContact NE2-O 3.42Å; I212-A221 HydrophobicContact CD1-CB 4.03Å; I212-A221 WeakPolarHBondContact CD1-O 2.78Å; I212-A221 HydrophobicContact CG1-CB 4.08Å; L217-A221 HydrophobicContact CB-CB 3.93Å; L217-A221 HydrophobicContact CD1-CB 4.5Å; P218-A221 WeakPolarHBondContact O-CB 3.43Å; P218-A221 PolarHBondContact O-N 2.99Å; A221-D225 HydrophobicContact CB-CB 3.96Å
222T94.6Very high94.4Very high71 Ų7147.7 Ų47.744%0.43628%0.284SS..  trans-79171.3-17967.10000111.6H208 D220 Q224 D225 V226H208-T222 PolarHBondContact NE2-O 2.73Å; D220-T222 PolarHBondContact O-N 3.42Å; T222-Q224 PolarHBondContact O-N 3.32Å; T222-Q224 PolarHBondContact OG1-N 3.49Å; T222-D225 WeakPolarHBondContact CB-OD2 3.11Å; T222-D225 PolarHBondContact N-OD2 2.89Å; T222-D225 PolarHBondContact O-N 3.22Å; T222-D225 VanDerWaalsContact OG1-CG 3.27Å; T222-D225 PolarHBondContact OG1-N 3.29Å; T222-D225 PolarHBondContact OG1-OD2 2.99Å; T222-V226 PolarHBondContact O-N 2.76Å
223V92.4Very high94.5Very high35 Ų3547.9 Ų47.921%0.21229%0.285CS..Hα-helixtrans-57.8-36.6169.3172.60000110.5I202 E203 V226 I227I202-V223 HydrophobicContact CG2-CB 4.47Å; I202-V223 HydrophobicContact CG2-CG1 3.93Å; I202-V223 HydrophobicContact CG2-CG2 4.24Å; E203-V223 HydrophobicContact CG-CG2 4.26Å; V223-V226 PolarHBondContact O-N 2.85Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.31Å; V223-I227 WeakPolarHBondContact O-CB 3.47Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.07Å; V223-I227 PolarHBondContact O-N 2.97Å
224Q92.6Very high94.4Very high76 Ų7644.4 Ų44.436%0.35527%0.267SS..Hα-helixtrans-66.1-39.2179.3-176.452.947.400112.5T222 V226 I227 S228 D241T222-Q224 PolarHBondContact O-N 3.32Å; T222-Q224 PolarHBondContact OG1-N 3.49Å; Q224-V226 VanDerWaalsContact C-N 3.31Å; Q224-V226 PolarHBondContact O-N 3.14Å; Q224-I227 PolarHBondContact O-N 3.06Å; Q224-S228 WeakPolarHBondContact O-CB 3.49Å; Q224-S228 PolarHBondContact O-N 3.27Å; Q224-D241 VanDerWaalsContact NE2-CB 3.29Å; Q224-D241 PolarHBondContact NE2-O 3Å
225D93.9Very high94.2Very high69 Ų6943.4 Ų43.437%0.36925%0.251SS..Hα-helixtrans-63.1-41.4176-61.7-52.4000110.9A221 T222 S228A221-D225 HydrophobicContact CB-CB 3.96Å; T222-D225 WeakPolarHBondContact CB-OD2 3.11Å; T222-D225 PolarHBondContact N-OD2 2.89Å; T222-D225 PolarHBondContact O-N 3.22Å; T222-D225 VanDerWaalsContact OG1-CG 3.27Å; T222-D225 PolarHBondContact OG1-N 3.29Å; T222-D225 PolarHBondContact OG1-OD2 2.99Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 PolarHBondContact O-OG 3.25Å
226V94.9Very high93.9Very high0 Ų044.1 Ų44.10%026%0.259CS..Hα-helixtrans-65-45.4175.4173.10000111.6I202 L211 I212 F215 L217 T222 V223 Q224 S228 H229 W230I202-V226 HydrophobicContact CD1-CG1 4.38Å; I202-V226 HydrophobicContact CG2-CG1 4.22Å; L211-V226 HydrophobicContact CB-CG1 3.82Å; L211-V226 HydrophobicContact CD1-CG1 3.91Å; L211-V226 HydrophobicContact CG-CG1 4.48Å; I212-V226 HydrophobicContact CG1-CG2 3.69Å; F215-V226 HydrophobicContact CD2-CG1 4.19Å; F215-V226 HydrophobicContact CE2-CG1 3.81Å; L217-V226 HydrophobicContact CD1-CG2 3.87Å; T222-V226 PolarHBondContact O-N 2.76Å; V223-V226 PolarHBondContact O-N 2.85Å; Q224-V226 VanDerWaalsContact C-N 3.31Å; Q224-V226 PolarHBondContact O-N 3.14Å; V226-S228 VanDerWaalsContact C-N 3.27Å; V226-S228 PolarHBondContact O-N 3.15Å; V226-H229 WeakPolarHBondContact O-CB 3.33Å; V226-H229 PolarHBondContact O-N 3.34Å; V226-W230 HydrophobicContact CG1-CZ3 4.19Å; V226-W230 WeakPolarHBondContact O-CZ3 3.41Å
227I95.2Very high93.8Very high2 Ų244.2 Ų44.21%0.0124%0.243CC..Hα-helixtrans-58.7-40.8176.4-76.8172.4000111.1W195 N199 I202 V223 Q224 H229 W230 D241 L242W195-I227 HydrophobicContact CH2-CD1 3.95Å; W195-I227 HydrophobicContact CH2-CG1 4.47Å; W195-I227 HydrophobicContact CH2-CG2 3.68Å; W195-I227 HydrophobicContact CZ2-CD1 4.38Å; W195-I227 HydrophobicContact CZ3-CG2 4.27Å; N199-I227 WeakPolarHBondContact OD1-CD1 3.42Å; I202-I227 HydrophobicContact CD1-CD1 4.44Å; I202-I227 HydrophobicContact CD1-CG1 3.75Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.31Å; V223-I227 WeakPolarHBondContact O-CB 3.47Å; V223-I227 VanDerWaalsContact O-CG1 3.31Å; V223-I227 WeakPolarHBondContact O-CG1 3.07Å; V223-I227 PolarHBondContact O-N 2.97Å; Q224-I227 PolarHBondContact O-N 3.06Å; I227-H229 PolarHBondContact O-N 2.96Å; I227-W230 PolarHBondContact O-N 2.82Å; I227-D241 HydrophobicContact CG2-CB 4.34Å; I227-L242 HydrophobicContact CG2-CD2 3.51Å; I227-L242 HydrophobicContact CG2-CG 4.35Å; I227-L242 WeakPolarHBondContact O-CD2 3.45Å
228S93.5Very high93.7Very high43 Ų4342 Ų4230%0.30123%0.231SC..THydrogen-bonded Turntrans-64.1-9.2-177.182.40000115.2Q224 D225 V226 W230Q224-S228 WeakPolarHBondContact O-CB 3.49Å; Q224-S228 PolarHBondContact O-N 3.27Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 PolarHBondContact O-OG 3.25Å; V226-S228 VanDerWaalsContact C-N 3.27Å; V226-S228 PolarHBondContact O-N 3.15Å; S228-W230 VanDerWaalsContact C-N 3.3Å
229H94.5Very high93.5Very high58 Ų5838.9 Ų38.927%0.26921%0.214SC..THydrogen-bonded Turntrans-65-33171.5-17974.5000112.5F215 V226 I227 S295F215-H229 AromaticContact CD1-CD2 3.97Å; F215-H229 AromaticContact CD1-CE1 3.77Å; F215-H229 AromaticContact CD1-ND1 3.99Å; F215-H229 AromaticContact CD1-NE2 3.76Å; F215-H229 HydrophobicContact CD2-CB 3.76Å; F215-H229 AromaticContact CD2-CG 3.7Å; F215-H229 AromaticContact CE1-CD2 3.69Å; F215-H229 AromaticContact CE1-NE2 3.64Å; F215-H229 HydrophobicContact CE2-CB 3.83Å; F215-H229 AromaticContact CE2-CD2 3.75Å; F215-H229 AromaticContact CE2-CG 3.76Å; F215-H229 HydrophobicContact CG-CB 4.38Å; F215-H229 AromaticContact CG-CG 3.87Å; F215-H229 AromaticContact CG-ND1 3.82Å; F215-H229 AromaticContact CZ-CD2 3.57Å; V226-H229 WeakPolarHBondContact O-CB 3.33Å; V226-H229 PolarHBondContact O-N 3.34Å; I227-H229 PolarHBondContact O-N 2.96Å; H229-S295 PolarHBondContact NE2-O 3.06Å
230W96.2Very high93.1Very high0 Ų039.4 Ų39.40%023%0.225CC..EExtended strand (participates in β ladder)trans-98.8156.9178.6-59.7-81.1000112.3I202 L211 F215 V226 I227 S228 L242 I293 T294 I298 A345 L346I202-W230 HydrophobicContact CD1-CZ3 4.26Å; L211-W230 HydrophobicContact CD1-CH2 4.47Å; L211-W230 HydrophobicContact CD2-CH2 4.41Å; F215-W230 AromaticContact CE2-CH2 3.66Å; F215-W230 HydrophobicContact CE2-CH2 3.66Å; F215-W230 HydrophobicContact CE2-CZ2 4.01Å; F215-W230 HydrophobicContact CE2-CZ3 4.01Å; F215-W230 AromaticContact CZ-CH2 3.56Å; F215-W230 HydrophobicContact CZ-CH2 3.56Å; F215-W230 AromaticContact CZ-CZ2 3.47Å; F215-W230 HydrophobicContact CZ-CZ2 3.47Å; F215-W230 VanDerWaalsContact CZ-CZ2 3.47Å; F215-W230 HydrophobicContact CZ-CZ3 4.32Å; V226-W230 HydrophobicContact CG1-CZ3 4.19Å; V226-W230 WeakPolarHBondContact O-CZ3 3.41Å; I227-W230 PolarHBondContact O-N 2.82Å; S228-W230 VanDerWaalsContact C-N 3.3Å; W230-L242 HydrophobicContact CB-CD2 3.97Å; W230-L242 WeakPolarHBondContact O-CD2 3.28Å; W230-I293 HydrophobicContact CH2-CG2 4.3Å; W230-I293 HydrophobicContact CZ2-CG2 4.05Å; W230-T294 WeakPolarHBondContact CZ2-O 3.41Å; W230-T294 PolarHBondContact NE1-O 2.87Å; W230-I298 HydrophobicContact CD2-CD1 3.78Å; W230-I298 HydrophobicContact CD2-CG1 4.46Å; W230-I298 HydrophobicContact CE3-CD1 4.12Å; W230-I298 HydrophobicContact CG-CD1 4.07Å; W230-I298 HydrophobicContact CZ2-CD1 4.29Å; W230-A345 HydrophobicContact CB-CB 3.94Å; W230-A345 HydrophobicContact CG-CB 4.4Å; W230-L346 CarbonylContact C-O 3.59Å; W230-L346 WeakPolarHBondContact CA-O 3.31Å
231E96.6Very high92.6Very high22 Ų2236.3 Ų36.310%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-112.9135.2171.6-57.2174.5-179.600108.4A233 K243 C245 A345 L346 T348E231-A233 PolarHBondContact O-N 2.88Å; E231-K243 CarbonylContact C-O 3.58Å; E231-K243 VanDerWaalsContact C-O 3.32Å; E231-K243 WeakPolarHBondContact CA-O 3.43Å; E231-K243 WeakPolarHBondContact CB-O 3.09Å; E231-K243 HydrophobicContact CG-CB 4.22Å; E231-C245 HydrophobicContact CB-CB 4.01Å; E231-C245 WeakPolarHBondContact OE2-CA 3.35Å; E231-A345 CarbonylContact O-C 2.96Å; E231-A345 WeakPolarHBondContact O-CA 3.38Å; E231-A345 WeakPolarHBondContact O-CB 3.47Å; E231-L346 PolarHBondContact N-O 2.71Å; E231-L346 PolarHBondContact O-N 3.06Å; E231-T348 WeakPolarHBondContact OE1-CB 3.41Å; E231-T348 PolarHBondContact OE1-OG1 3.31Å
232S96.8Very high92.3Very high0 Ų036.7 Ų36.70%021%0.209CC..EExtended strand (participates in β ladder)trans-57.7120.9170.11650000109.5T234 D237 F238 K243 C245S232-T234 VanDerWaalsContact C-N 3.31Å; S232-T234 PolarHBondContact OG-N 2.93Å; S232-T234 PolarHBondContact OG-O 3.3Å; S232-D237 WeakPolarHBondContact CB-OD1 3.03Å; S232-D237 VanDerWaalsContact OG-CA 3.25Å; S232-D237 WeakPolarHBondContact OG-CA 3.14Å; S232-D237 PolarHBondContact OG-OD1 3.29Å; S232-F238 PolarHBondContact OG-N 2.74Å; S232-K243 PolarHBondContact N-O 3.43Å; S232-C245 WeakPolarHBondContact O-CB 3.42Å; S232-C245 PolarHBondContact O-N 2.91Å
233A95.9Very high91.9Very high7 Ų739.1 Ų39.16%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-90.30.5176.700000112.3E231 P248 S249 T343 M344 L346E231-A233 PolarHBondContact O-N 2.88Å; A233-P248 WeakPolarHBondContact O-CA 3.42Å; A233-S249 PolarHBondContact O-N 3.31Å; A233-T343 HydrophobicContact CB-CG2 3.86Å; A233-M344 WeakPolarHBondContact CB-O 3.32Å; A233-M344 PolarHBondContact N-O 2.94Å; A233-L346 HydrophobicContact CB-CD1 3.93Å; A233-L346 HydrophobicContact CB-CG 4.05Å
234T93.2Very high91.6Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-118.7155-168.265.90000114.2L191 S232 P236 F238 S249 P251 T343L191-T234 HydrophobicContact CD2-CG2 4.02Å; S232-T234 VanDerWaalsContact C-N 3.31Å; S232-T234 PolarHBondContact OG-N 2.93Å; S232-T234 PolarHBondContact OG-O 3.3Å; T234-P236 CarbonylContact C-O 3.51Å; T234-P236 WeakPolarHBondContact CB-O 3.43Å; T234-P236 CarbonylContact O-C 3.54Å; T234-P236 PolarHBondContact OG1-O 3.4Å; T234-F238 WeakPolarHBondContact OG1-CB 3.47Å; T234-F238 PolarHBondContact OG1-N 2.94Å; T234-S249 CarbonylContact C-O 3.56Å; T234-S249 WeakPolarHBondContact CA-O 3.32Å; T234-P251 HydrophobicContact CG2-CG 3.93Å; T234-T343 WeakPolarHBondContact CG2-O 3.16Å
235I86.4Confident91.3Very high50 Ų5037.9 Ų37.926%0.25621%0.212SC..SBendtrans-120.3122163.2-51.3179.3000108.7H96 P248 S249 P251H96-I235 VanDerWaalsContact CE1-CD1 3.42Å; H96-I235 WeakPolarHBondContact CE1-CD1 3.41Å; I235-P248 HydrophobicContact CD1-CB 4.32Å; I235-P248 HydrophobicContact CD1-CG 3.91Å; I235-P248 HydrophobicContact CG1-CB 3.76Å; I235-P248 HydrophobicContact CG1-CG 3.83Å; I235-S249 PolarHBondContact N-O 3.4Å; I235-P251 WeakPolarHBondContact O-CD 3.48Å
236P87.7Confident90.9Very high45 Ų4542 Ų4229%0.29223%0.234SC..SBendcis-58.8166.9-7.3-21.234.4000113.1L191 T234L191-P236 WeakPolarHBondContact CD1-O 3.45Å; T234-P236 CarbonylContact C-O 3.51Å; T234-P236 WeakPolarHBondContact CB-O 3.43Å; T234-P236 CarbonylContact O-C 3.54Å; T234-P236 PolarHBondContact OG1-O 3.4Å
237D91.8Very high90.4Very high71 Ų7147 Ų4738%0.3827%0.265SS..  trans-61.2140.7-177.2-78-43.1000112.5S232 G239 T244S232-D237 WeakPolarHBondContact CB-OD1 3.03Å; S232-D237 VanDerWaalsContact OG-CA 3.25Å; S232-D237 WeakPolarHBondContact OG-CA 3.14Å; S232-D237 PolarHBondContact OG-OD1 3.29Å; D237-G239 PolarHBondContact O-N 2.8Å; D237-G239 VanDerWaalsContact O-N 3.11Å; D237-T244 PolarHBondContact OD1-OG1 3.21Å; D237-T244 PolarHBondContact OD2-OG1 3.23Å
238F94.1Very high90.1Very high0 Ų048.7 Ų48.70%028%0.276CS..SBendtrans-77.191.8172.5175.6-118.7000109.4L191 G194 W195 L198 S232 T234 L242 I298 M344 A345L191-F238 HydrophobicContact CB-CD2 4.43Å; L191-F238 HydrophobicContact CD2-CB 4.34Å; L191-F238 HydrophobicContact CD2-CD2 4.04Å; G194-F238 VanDerWaalsContact C-CE2 3.45Å; W195-F238 HydrophobicContact CB-CE2 4.13Å; W195-F238 HydrophobicContact CE3-CE1 4.34Å; W195-F238 HydrophobicContact CE3-CZ 4.42Å; W195-F238 VanDerWaalsContact N-CE2 3.3Å; L198-F238 HydrophobicContact CD2-CE1 3.99Å; L198-F238 HydrophobicContact CD2-CZ 4.31Å; S232-F238 PolarHBondContact OG-N 2.74Å; T234-F238 WeakPolarHBondContact OG1-CB 3.47Å; T234-F238 PolarHBondContact OG1-N 2.94Å; F238-L242 HydrophobicContact CB-CD1 4.49Å; F238-L242 HydrophobicContact CD1-CD1 3.57Å; F238-L242 HydrophobicContact CE1-CD1 4.26Å; F238-L242 HydrophobicContact CG-CD1 4.43Å; F238-L242 WeakPolarHBondContact O-CD1 3.5Å; F238-I298 HydrophobicContact CE1-CB 4.49Å; F238-I298 HydrophobicContact CE1-CD1 4.3Å; F238-I298 HydrophobicContact CE1-CG2 4Å; F238-I298 HydrophobicContact CZ-CG2 4.14Å; F238-M344 HydrophobicContact CB-CB 4.45Å; F238-M344 WeakPolarHBondContact CB-O 3.26Å; F238-M344 HydrophobicContact CD1-CB 3.8Å; F238-M344 HydrophobicContact CD2-CB 3.87Å; F238-M344 HydrophobicContact CD2-CG 4.26Å; F238-M344 HydrophobicContact CD2-SD 4.15Å; F238-M344 HydrophobicContact CE1-CB 3.91Å; F238-M344 HydrophobicContact CE2-CB 3.98Å; F238-M344 HydrophobicContact CE2-CG 4.25Å; F238-M344 HydrophobicContact CE2-SD 3.63Å; F238-M344 HydrophobicContact CG-CB 3.77Å; F238-M344 HydrophobicContact CZ-CB 4.01Å; F238-M344 HydrophobicContact CZ-SD 4.02Å; F238-A345 HydrophobicContact CD1-CB 3.79Å; F238-A345 HydrophobicContact CE1-CB 4.07Å
239G90.4Very high89.8Confident16 Ų1648 Ų4817%0.16527%0.271CS..SBendtrans85.6168.3-176.400000113.3D237D237-G239 PolarHBondContact O-N 2.8Å; D237-G239 VanDerWaalsContact O-N 3.11Å
240T85.2Confident89.5Confident115 Ų11546.2 Ų46.271%0.70626%0.263SS*.SBendtrans-89.8-22.8-17239.10000114.1
241D82.7Confident89.4Confident76 Ų7646.2 Ų46.241%0.40626%0.263SS..SBendtrans-121.17.7-165.2-48-71000113.6Q224 I227Q224-D241 VanDerWaalsContact NE2-CB 3.29Å; Q224-D241 PolarHBondContact NE2-O 3Å; I227-D241 HydrophobicContact CG2-CB 4.34Å
242L88.7Confident89.3Confident14 Ų1446.7 Ų46.77%0.07327%0.265CS..SBendtrans-79.8145.2166.4-63-173.6000109.8W195 I227 W230 F238 A345W195-L242 HydrophobicContact CH2-CG 4.34Å; W195-L242 HydrophobicContact CZ3-CD1 4.23Å; W195-L242 HydrophobicContact CZ3-CD2 4.31Å; W195-L242 HydrophobicContact CZ3-CG 3.91Å; I227-L242 HydrophobicContact CG2-CD2 3.51Å; I227-L242 HydrophobicContact CG2-CG 4.35Å; I227-L242 WeakPolarHBondContact O-CD2 3.45Å; W230-L242 HydrophobicContact CB-CD2 3.97Å; W230-L242 WeakPolarHBondContact O-CD2 3.28Å; F238-L242 HydrophobicContact CB-CD1 4.49Å; F238-L242 HydrophobicContact CD1-CD1 3.57Å; F238-L242 HydrophobicContact CE1-CD1 4.26Å; F238-L242 HydrophobicContact CG-CD1 4.43Å; F238-L242 WeakPolarHBondContact O-CD1 3.5Å; L242-A345 HydrophobicContact CD1-CB 3.84Å
243K88Confident89.2Confident122 Ų12246.7 Ų46.753%0.5327%0.266SS..EExtended strand (participates in β ladder)trans-66.7146.2165.6-63.6168.6-171.11570108.5E231 S232E231-K243 CarbonylContact C-O 3.58Å; E231-K243 VanDerWaalsContact C-O 3.32Å; E231-K243 WeakPolarHBondContact CA-O 3.43Å; E231-K243 WeakPolarHBondContact CB-O 3.09Å; E231-K243 HydrophobicContact CG-CB 4.22Å; S232-K243 PolarHBondContact N-O 3.43Å
244T84.3Confident89.1Confident70 Ų7049 Ų4943%0.42928%0.279SS..EExtended strand (participates in β ladder)trans-74.3130.4171.8-48.80000109.7D237 P248D237-T244 PolarHBondContact OD1-OG1 3.21Å; D237-T244 PolarHBondContact OD2-OG1 3.23Å; T244-P248 HydrophobicContact CG2-CB 4.09Å; T244-P248 HydrophobicContact CG2-CG 3.71Å
245C87.3Confident89.2Confident16 Ų1649.6 Ų49.611%0.10828%0.284CS..EExtended strand (participates in β ladder)trans-60.9155172.5-1750000110.4E231 S232 T247 P248E231-C245 HydrophobicContact CB-CB 4.01Å; E231-C245 WeakPolarHBondContact OE2-CA 3.35Å; S232-C245 WeakPolarHBondContact O-CB 3.42Å; S232-C245 PolarHBondContact O-N 2.91Å; C245-T247 PolarHBondContact O-N 3.4Å; C245-P248 WeakPolarHBondContact O-CD 3.49Å
246N84.5Confident89.6Confident154 Ų15448.8 Ų48.882%0.82428%0.278SS*.EExtended strand (participates in β ladder)trans-61.5-27.8178.6-70.5-35.4000113.7
247T84.6Confident89.9Confident106 Ų10651 Ų5165%0.6528%0.284SS*.EExtended strand (participates in β ladder)trans-131.862.3-177.9570000110.9C245C245-T247 PolarHBondContact O-N 3.4Å
248P89.5Confident90Very high37 Ų3747.6 Ų47.624%0.2427%0.265CS..EExtended strand (participates in β ladder)trans-72.1152.9-179.233.9-27.8000108.9A233 I235 T244 C245A233-P248 WeakPolarHBondContact O-CA 3.42Å; I235-P248 HydrophobicContact CD1-CB 4.32Å; I235-P248 HydrophobicContact CD1-CG 3.91Å; I235-P248 HydrophobicContact CG1-CB 3.76Å; I235-P248 HydrophobicContact CG1-CG 3.83Å; T244-P248 HydrophobicContact CG2-CB 4.09Å; T244-P248 HydrophobicContact CG2-CG 3.71Å; C245-P248 WeakPolarHBondContact O-CD 3.49Å
249S88.3Confident90Very high29 Ų2952.6 Ų52.620%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-135.2158.6-177.267.90000111.3A233 T234 I235 H252A233-S249 PolarHBondContact O-N 3.31Å; T234-S249 CarbonylContact C-O 3.56Å; T234-S249 WeakPolarHBondContact CA-O 3.32Å; I235-S249 PolarHBondContact N-O 3.4Å; S249-H252 PolarHBondContact OG-CE1 2.93Å; S249-H252 PolarHBondContact OG-ND1 3.4Å
250I87.8Confident90.1Very high20 Ų2056.6 Ų56.610%0.10330%0.298CS..  trans-59139.5168.4-63.2173.9000108.6H96 F98 W147 A149 H252H96-I250 HydrophobicContact CB-CD1 4.01Å; F98-I250 HydrophobicContact CE1-CD1 4.1Å; F98-I250 HydrophobicContact CZ-CD1 4.37Å; F98-I250 HydrophobicContact CZ-CG2 4.31Å; W147-I250 WeakPolarHBondContact O-CG2 3.21Å; A149-I250 HydrophobicContact CB-CD1 4.08Å; I250-H252 PolarHBondContact O-N 3Å; I250-H252 PolarHBondContact O-ND1 2.81Å
251P92.8Very high90.5Very high1 Ų152.4 Ų52.41%0.00628%0.278CS..  trans-50.1128.5175.5-30.537.8000111.6W147 V187 L190 L191 T234 I235 V342W147-P251 HydrophobicContact CE3-CB 3.98Å; W147-P251 PolarHBondContact N-O 3.24Å; V187-P251 HydrophobicContact CG1-CG 4.14Å; L190-P251 HydrophobicContact CD2-CB 4.32Å; L191-P251 HydrophobicContact CD1-CG 4.28Å; L191-P251 HydrophobicContact CD2-CG 3.98Å; L191-P251 HydrophobicContact CG-CG 4.32Å; T234-P251 HydrophobicContact CG2-CG 3.93Å; I235-P251 WeakPolarHBondContact O-CD 3.48Å; P251-V342 HydrophobicContact CB-CG1 3.9Å
252H94.2Very high91.1Very high31 Ų3157 Ų5714%0.14429%0.289CS..EExtended strand (participates in β ladder)trans-151.7162.5-175.567.1-84.1000111.9Y142 W145 F146 S249 I250 T254Y142-H252 AromaticContact CE2-CD2 3.59Å; Y142-H252 AromaticContact CE2-NE2 3.65Å; Y142-H252 AromaticContact CZ-NE2 4Å; W145-H252 CarbonylContact O-C 3.46Å; W145-H252 WeakPolarHBondContact O-CA 3.29Å; W145-H252 VanDerWaalsContact O-CB 3.31Å; W145-H252 WeakPolarHBondContact O-CB 3.35Å; F146-H252 HydrophobicContact CD1-CB 3.43Å; F146-H252 VanDerWaalsContact CD1-CB 3.43Å; F146-H252 HydrophobicContact CE1-CB 3.69Å; F146-H252 HydrophobicContact CG-CB 3.97Å; F146-H252 HydrophobicContact CZ-CB 4.4Å; S249-H252 PolarHBondContact OG-CE1 2.93Å; S249-H252 PolarHBondContact OG-ND1 3.4Å; I250-H252 PolarHBondContact O-N 3Å; I250-H252 PolarHBondContact O-ND1 2.81Å; H252-T254 PolarHBondContact CD2-OG1 3.3Å; H252-T254 PolarHBondContact NE2-OG1 3.09Å
253I95.6Very high91.3Very high1 Ų157.3 Ų57.31%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-122.7101.6177.4-50161.9000106.1G144 W145 W147 A255 V286 V302 W314 A340 V342G144-I253 CarbonylContact C-O 3.55Å; G144-I253 WeakPolarHBondContact CA-O 3.2Å; W145-I253 HydrophobicContact CB-CB 4.26Å; W145-I253 HydrophobicContact CB-CD1 4.23Å; W145-I253 HydrophobicContact CE3-CB 4.39Å; W145-I253 HydrophobicContact CE3-CD1 3.88Å; W145-I253 HydrophobicContact CE3-CG2 4.46Å; W145-I253 PolarHBondContact N-O 3.25Å; W145-I253 PolarHBondContact O-N 3.11Å; W147-I253 HydrophobicContact CH2-CD1 3.78Å; W147-I253 HydrophobicContact CH2-CG1 4.18Å; W147-I253 HydrophobicContact CZ3-CD1 3.97Å; W147-I253 HydrophobicContact CZ3-CG1 3.94Å; I253-A255 PolarHBondContact O-N 3.47Å; I253-V286 HydrophobicContact CD1-CB 4.35Å; I253-V286 HydrophobicContact CD1-CG1 4.16Å; I253-V286 HydrophobicContact CD1-CG2 4.03Å; I253-V302 HydrophobicContact CD1-CB 4.44Å; I253-V302 HydrophobicContact CD1-CG1 3.88Å; I253-V302 HydrophobicContact CD1-CG2 3.76Å; I253-V302 HydrophobicContact CG1-CG2 3.96Å; I253-V302 HydrophobicContact CG2-CG2 4.41Å; I253-W314 HydrophobicContact CG2-CZ2 4.31Å; I253-W314 WeakPolarHBondContact O-CZ2 3.35Å; I253-A340 HydrophobicContact CG2-CB 4.11Å; I253-V342 HydrophobicContact CD1-CG2 4.34Å; I253-V342 HydrophobicContact CG1-CG2 3.64Å
254T94.9Very high91.5Very high54 Ų5457.9 Ų57.933%0.33131%0.308SS..EExtended strand (participates in β ladder)trans-70.5125.5-175.5-64.60000110.9H252 W314H252-T254 PolarHBondContact CD2-OG1 3.3Å; H252-T254 PolarHBondContact NE2-OG1 3.09Å; T254-W314 VanDerWaalsContact O-CD1 3.25Å; T254-W314 PolarHBondContact O-NE1 2.82Å
255A94.6Very high91.9Very high13 Ų1356.5 Ų56.511%0.10731%0.308CS..EExtended strand (participates in β ladder)trans-90.8-41.7169.900000111.3Y143 I253 Y269 W314 F449Y143-A255 PolarHBondContact O-N 2.98Å; I253-A255 PolarHBondContact O-N 3.47Å; A255-Y269 VanDerWaalsContact CB-OH 3.24Å; A255-Y269 WeakPolarHBondContact CB-OH 3.35Å; A255-W314 HydrophobicContact CB-CD2 3.74Å; A255-W314 HydrophobicContact CB-CE3 3.8Å; A255-W314 HydrophobicContact CB-CH2 3.62Å; A255-W314 HydrophobicContact CB-CZ2 3.49Å; A255-W314 VanDerWaalsContact CB-CZ2 3.49Å; A255-W314 HydrophobicContact CB-CZ3 3.74Å; A255-F449 HydrophobicContact CB-CE2 4.06Å; A255-F449 HydrophobicContact CB-CZ 4.44Å
256K93.9Very high92.2Very high33 Ų3355.8 Ų55.814%0.14330%0.303CS..EExtended strand (participates in β ladder)trans-149.7121179.718064.7176.8174.70110.8Y142 Y143 T264 Y269Y142-K256 CarbonylContact C-O 3.54Å; Y142-K256 WeakPolarHBondContact CA-O 3.34Å; Y142-K256 WeakPolarHBondContact CB-O 3.09Å; Y143-K256 HydrophobicContact CD2-CB 4.45Å; Y143-K256 PolarHBondContact N-O 3.26Å; Y143-K256 PolarHBondContact O-N 2.84Å; K256-T264 PolarHBondContact NZ-O 2.83Å; K256-Y269 HydrophobicContact CB-CD1 3.76Å; K256-Y269 HydrophobicContact CB-CD2 3.81Å; K256-Y269 HydrophobicContact CB-CE1 3.6Å; K256-Y269 HydrophobicContact CB-CE2 3.64Å; K256-Y269 HydrophobicContact CB-CG 3.88Å; K256-Y269 HydrophobicContact CD-CD2 4.24Å; K256-Y269 HydrophobicContact CD-CG 4.36Å; K256-Y269 HydrophobicContact CG-CD1 3.82Å; K256-Y269 HydrophobicContact CG-CD2 3.86Å; K256-Y269 HydrophobicContact CG-CE1 4.21Å; K256-Y269 HydrophobicContact CG-CE2 4.23Å; K256-Y269 HydrophobicContact CG-CG 3.65Å
257F94.1Very high92.6Very high91 Ų9153.6 Ų53.640%0.39929%0.288SS..EExtended strand (participates in β ladder)trans-76.9122161.9-174.7-112.3000109.8Y142 K259 A263Y142-F257 HydrophobicContact CD1-CD2 4.49Å; F257-K259 HydrophobicContact CD1-CB 4.35Å; F257-K259 HydrophobicContact CE1-CB 3.64Å; F257-K259 HydrophobicContact CE1-CD 4.17Å; F257-K259 HydrophobicContact CE1-CG 4.06Å; F257-K259 HydrophobicContact CZ-CB 3.78Å; F257-K259 HydrophobicContact CZ-CD 4.39Å; F257-K259 HydrophobicContact CZ-CG 3.95Å; F257-A263 HydrophobicContact CD1-CB 4.42Å; F257-A263 WeakPolarHBondContact O-CB 3.25Å
258S93.9Very high93Very high0 Ų055.1 Ų55.10%029%0.287CS..  trans-111.6-18.5-176.142.60000113.6P140 C141 Y142 Y260 G261 R262 A263P140-S258 WeakPolarHBondContact O-CB 3.48Å; P140-S258 PolarHBondContact O-OG 3.22Å; C141-S258 VanDerWaalsContact C-OG 3.27Å; C141-S258 PolarHBondContact O-N 3.48Å; C141-S258 PolarHBondContact O-OG 3.37Å; C141-S258 VanDerWaalsContact O-OG 3.07Å; Y142-S258 PolarHBondContact N-OG 2.93Å; S258-Y260 PolarHBondContact O-N 3.27Å; S258-G261 CarbonylContact O-C 3.56Å; S258-G261 WeakPolarHBondContact O-CA 3.11Å; S258-G261 PolarHBondContact O-N 3.33Å; S258-R262 PolarHBondContact O-N 2.85Å; S258-R262 VanDerWaalsContact O-N 3.16Å; S258-A263 WeakPolarHBondContact O-CB 2.9Å; S258-A263 PolarHBondContact O-N 3.37Å
259K94.3Very high93.2Very high105 Ų10554 Ų5446%0.45728%0.278SS..THydrogen-bonded Turntrans47.445-179.4-159179.8-175.2174.90112.3C141 F257 G261 R262 A263C141-K259 PolarHBondContact O-N 3.13Å; F257-K259 HydrophobicContact CD1-CB 4.35Å; F257-K259 HydrophobicContact CE1-CB 3.64Å; F257-K259 HydrophobicContact CE1-CD 4.17Å; F257-K259 HydrophobicContact CE1-CG 4.06Å; F257-K259 HydrophobicContact CZ-CB 3.78Å; F257-K259 HydrophobicContact CZ-CD 4.39Å; F257-K259 HydrophobicContact CZ-CG 3.95Å; K259-G261 VanDerWaalsContact C-N 3.32Å; K259-G261 PolarHBondContact O-N 3.48Å; K259-R262 HydrophobicContact CB-CB 4.36Å; K259-R262 HydrophobicContact CG-CB 4.47Å; K259-R262 WeakPolarHBondContact O-CB 3.3Å; K259-R262 PolarHBondContact O-N 3Å; K259-A263 HydrophobicContact CB-CB 4.12Å
260Y93.6Very high93.3Very high101 Ų10153.1 Ų53.140%0.39627%0.273SS..THydrogen-bonded Turntrans58.242.4-176.6-43.8-78.3000113Y139 P140 C141 S258 R262 Y453Y139-Y260 WeakPolarHBondContact O-CA 3.22Å; P140-Y260 VanDerWaalsContact O-CA 3.27Å; P140-Y260 WeakPolarHBondContact O-CA 3.35Å; P140-Y260 PolarHBondContact O-N 3.31Å; C141-Y260 HydrophobicContact CB-CD1 4.36Å; C141-Y260 HydrophobicContact CB-CE1 3.69Å; C141-Y260 HydrophobicContact CB-CE2 4.27Å; S258-Y260 PolarHBondContact O-N 3.27Å; Y260-R262 VanDerWaalsContact C-N 3.28Å; Y260-R262 PolarHBondContact O-N 3.25Å; Y260-Y453 VanDerWaalsContact CE1-OXT 3.32Å; Y260-Y453 WeakPolarHBondContact CE1-OXT 3.18Å
261G93.2Very high93.4Very high27 Ų2756.3 Ų56.328%0.27829%0.29SS..THydrogen-bonded Turntrans85.7-9.1-18000000114.5S258 K259S258-G261 CarbonylContact O-C 3.56Å; S258-G261 WeakPolarHBondContact O-CA 3.11Å; S258-G261 PolarHBondContact O-N 3.33Å; K259-G261 VanDerWaalsContact C-N 3.32Å; K259-G261 PolarHBondContact O-N 3.48Å
262R94.6Very high93.4Very high171 Ų17160.9 Ų60.965%0.64531%0.307SS*.THydrogen-bonded Turntrans-81-17.6-177.3-61.7-172.1-69.5-89.35.7114.2S258 K259 Y260S258-R262 PolarHBondContact O-N 2.85Å; S258-R262 VanDerWaalsContact O-N 3.16Å; K259-R262 HydrophobicContact CB-CB 4.36Å; K259-R262 HydrophobicContact CG-CB 4.47Å; K259-R262 WeakPolarHBondContact O-CB 3.3Å; K259-R262 PolarHBondContact O-N 3Å; Y260-R262 VanDerWaalsContact C-N 3.28Å; Y260-R262 PolarHBondContact O-N 3.25Å
263A93.5Very high93.1Very high22 Ų2268 Ų6818%0.18233%0.332CS..SBendtrans-76.3147.8177.100000111F257 S258 K259 G265 A266F257-A263 HydrophobicContact CD1-CB 4.42Å; F257-A263 WeakPolarHBondContact O-CB 3.25Å; S258-A263 WeakPolarHBondContact O-CB 2.9Å; S258-A263 PolarHBondContact O-N 3.37Å; K259-A263 HydrophobicContact CB-CB 4.12Å; A263-G265 PolarHBondContact O-N 2.82Å; A263-A266 HydrophobicContact CB-CB 4.44Å; A263-A266 WeakPolarHBondContact O-CB 3.34Å; A263-A266 PolarHBondContact O-N 3.27Å
264T93Very high92.7Very high133 Ų13368.8 Ų68.882%0.81634%0.338SS*.THydrogen-bonded Turntrans-55.7127.7-180-54.30000111.5K256 A266K256-T264 PolarHBondContact NZ-O 2.83Å; T264-A266 PolarHBondContact O-N 3.05Å
265G92.4Very high92.5Very high41 Ų4166.2 Ų66.242%0.42332%0.322SS..THydrogen-bonded Turntrans7110.6-179.600000115.1A263 H268 Y269A263-G265 PolarHBondContact O-N 2.82Å; G265-H268 PolarHBondContact O-N 3.43Å; G265-Y269 WeakPolarHBondContact O-CB 3.4Å; G265-Y269 PolarHBondContact O-N 3.37Å
266A93.9Very high91.9Very high1 Ų168.7 Ų68.71%0.00833%0.334CS..Hα-helixtrans-60.2-47.3179.700000112.7A263 T264 Y269 A270A263-A266 HydrophobicContact CB-CB 4.44Å; A263-A266 WeakPolarHBondContact O-CB 3.34Å; A263-A266 PolarHBondContact O-N 3.27Å; T264-A266 PolarHBondContact O-N 3.05Å; A266-Y269 PolarHBondContact O-N 3.41Å; A266-A270 WeakPolarHBondContact O-CB 3.17Å; A266-A270 PolarHBondContact O-N 2.96Å
267E92.6Very high91.4Very high109 Ų10972.9 Ų72.951%0.50935%0.354SS..Hα-helixtrans-62.2-49.7177.4171.1165.6-149.600111.6Y139 Y269 A270 L271Y139-E267 HydrophobicContact CE1-CB 4.24Å; Y139-E267 HydrophobicContact CE1-CG 4.4Å; Y139-E267 VanDerWaalsContact OH-CG 3.32Å; Y139-E267 WeakPolarHBondContact OH-CG 3.43Å; Y139-E267 PolarHBondContact OH-OE1 3.32Å; E267-Y269 VanDerWaalsContact C-N 3.28Å; E267-Y269 PolarHBondContact O-N 2.83Å; E267-A270 PolarHBondContact O-N 3.3Å; E267-A270 VanDerWaalsContact O-N 3.11Å; E267-L271 HydrophobicContact CG-CD1 3.84Å; E267-L271 HydrophobicContact CG-CG 4.47Å; E267-L271 WeakPolarHBondContact O-CG 3.22Å; E267-L271 PolarHBondContact O-N 3.36Å
268H93.1Very high90.9Very high138 Ų13872.5 Ų72.564%0.63936%0.356SS*.Hα-helixtrans-57.8-42.1177.2-179.4-91.8000111.7G265 L271 R272G265-H268 PolarHBondContact O-N 3.43Å; H268-L271 PolarHBondContact O-N 2.93Å; H268-R272 VanDerWaalsContact O-CG 3.28Å; H268-R272 WeakPolarHBondContact O-CG 3.4Å; H268-R272 PolarHBondContact O-N 3.01Å
269Y93.1Very high90.7Very high13 Ų1373 Ų735%0.05136%0.358CS..Hα-helixtrans-61.5-46.3175.6-175.3-84.9000112Y143 A255 K256 G265 A266 E267 L271 R272 V275 L313Y143-Y269 HydrophobicContact CD1-CE1 4.34Å; Y143-Y269 AromaticContact CD2-CD1 3.75Å; Y143-Y269 HydrophobicContact CD2-CD1 3.75Å; Y143-Y269 AromaticContact CD2-CE1 3.68Å; Y143-Y269 HydrophobicContact CD2-CE1 3.68Å; Y143-Y269 HydrophobicContact CE2-CD1 4.02Å; Y143-Y269 HydrophobicContact CE2-CE1 4.33Å; Y143-Y269 HydrophobicContact CG-CD1 4.21Å; Y143-Y269 AromaticContact CG-CE1 3.68Å; Y143-Y269 HydrophobicContact CG-CE1 3.68Å; A255-Y269 VanDerWaalsContact CB-OH 3.24Å; A255-Y269 WeakPolarHBondContact CB-OH 3.35Å; K256-Y269 HydrophobicContact CB-CD1 3.76Å; K256-Y269 HydrophobicContact CB-CD2 3.81Å; K256-Y269 HydrophobicContact CB-CE1 3.6Å; K256-Y269 HydrophobicContact CB-CE2 3.64Å; K256-Y269 HydrophobicContact CB-CG 3.88Å; K256-Y269 HydrophobicContact CD-CD2 4.24Å; K256-Y269 HydrophobicContact CD-CG 4.36Å; K256-Y269 HydrophobicContact CG-CD1 3.82Å; K256-Y269 HydrophobicContact CG-CD2 3.86Å; K256-Y269 HydrophobicContact CG-CE1 4.21Å; K256-Y269 HydrophobicContact CG-CE2 4.23Å; K256-Y269 HydrophobicContact CG-CG 3.65Å; G265-Y269 WeakPolarHBondContact O-CB 3.4Å; G265-Y269 PolarHBondContact O-N 3.37Å; A266-Y269 PolarHBondContact O-N 3.41Å; E267-Y269 VanDerWaalsContact C-N 3.28Å; E267-Y269 PolarHBondContact O-N 2.83Å; Y269-L271 VanDerWaalsContact C-N 3.27Å; Y269-L271 PolarHBondContact O-N 3Å; Y269-R272 PolarHBondContact O-N 3.11Å; Y269-V275 HydrophobicContact CD1-CG1 4.32Å; Y269-V275 HydrophobicContact CD1-CG2 4.06Å; Y269-V275 HydrophobicContact CE1-CB 4.39Å; Y269-V275 HydrophobicContact CE1-CG1 3.88Å; Y269-V275 HydrophobicContact CE1-CG2 3.61Å; Y269-V275 HydrophobicContact CE2-CG2 4.3Å; Y269-V275 WeakPolarHBondContact O-CG2 3.3Å; Y269-L313 HydrophobicContact CD2-CD2 4.35Å; Y269-L313 HydrophobicContact CE2-CB 4.4Å; Y269-L313 HydrophobicContact CE2-CD2 3.53Å
270A90.9Very high90.4Very high11 Ų1170.8 Ų70.89%0.09135%0.351CS..Hα-helixtrans-63.3-31.2-179.700000113.1Y139 Y143 A266 E267Y139-A270 HydrophobicContact CD1-CB 3.74Å; Y139-A270 HydrophobicContact CE1-CB 3.74Å; Y143-A270 HydrophobicContact CE2-CB 4.36Å; Y143-A270 WeakPolarHBondContact OH-CB 3.41Å; A266-A270 WeakPolarHBondContact O-CB 3.17Å; A266-A270 PolarHBondContact O-N 2.96Å; E267-A270 PolarHBondContact O-N 3.3Å; E267-A270 VanDerWaalsContact O-N 3.11Å
271L90.1Very high90Very high86 Ų8667.7 Ų67.745%0.4535%0.35SS..Hα-helixtrans-86.4-6.7-179.3-65.1174.5000114E267 H268 Y269 R273 N276E267-L271 HydrophobicContact CG-CD1 3.84Å; E267-L271 HydrophobicContact CG-CG 4.47Å; E267-L271 WeakPolarHBondContact O-CG 3.22Å; E267-L271 PolarHBondContact O-N 3.36Å; H268-L271 PolarHBondContact O-N 2.93Å; Y269-L271 VanDerWaalsContact C-N 3.27Å; Y269-L271 PolarHBondContact O-N 3Å; L271-R273 PolarHBondContact O-N 3.5Å; L271-N276 PolarHBondContact O-ND2 3.49Å
272R91.6Very high89.7Confident98 Ų9871.1 Ų71.137%0.3736%0.357SS..  trans-63.5129.8176.7-59.4-178.683.5176.14.1109.6H268 Y269 S274 V275 N276H268-R272 VanDerWaalsContact O-CG 3.28Å; H268-R272 WeakPolarHBondContact O-CG 3.4Å; H268-R272 PolarHBondContact O-N 3.01Å; Y269-R272 PolarHBondContact O-N 3.11Å; R272-S274 PolarHBondContact O-N 3.16Å; R272-S274 VanDerWaalsContact O-N 3.14Å; R272-V275 HydrophobicContact CB-CB 4.48Å; R272-V275 HydrophobicContact CB-CG2 4.19Å; R272-V275 WeakPolarHBondContact O-CA 3.11Å; R272-V275 PolarHBondContact O-N 2.91Å; R272-N276 PolarHBondContact O-N 3.07Å; R272-N276 PolarHBondContact O-OD1 2.58Å; R272-N276 VanDerWaalsContact O-OD1 3.06Å
273R88.2Confident89.3Confident180 Ų18067 Ų6768%0.67935%0.348SS*.Hα-helixtrans-50.3-38.4171.6-70.4-167.6-174.4156.12.4112.9L271 V275 N276 E277 N278L271-R273 PolarHBondContact O-N 3.5Å; R273-V275 PolarHBondContact O-N 2.91Å; R273-N276 WeakPolarHBondContact CA-OD1 3.18Å; R273-N276 PolarHBondContact O-OD1 2.85Å; R273-E277 WeakPolarHBondContact O-CB 3.13Å; R273-E277 PolarHBondContact O-N 2.98Å; R273-E277 VanDerWaalsContact O-N 3.15Å; R273-N278 PolarHBondContact O-N 3.19Å
274S88.5Confident89.1Confident17 Ų1767.6 Ų67.612%0.11935%0.346CS..Hα-helixtrans-56.9-39.3175.158.20000112R272 N278 L279R272-S274 PolarHBondContact O-N 3.16Å; R272-S274 VanDerWaalsContact O-N 3.14Å; S274-N278 CarbonylContact O-C 3.49Å; S274-N278 WeakPolarHBondContact O-CB 3.49Å; S274-L279 WeakPolarHBondContact O-CB 3.14Å; S274-L279 WeakPolarHBondContact O-CD1 3.46Å; S274-L279 WeakPolarHBondContact O-CG 3.45Å; S274-L279 PolarHBondContact O-N 2.91Å
275V89.9Confident89Confident0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-84-58.5-178.4179.70000110.9Y143 Y269 R272 R273 L279 L280 L313 F449Y143-V275 HydrophobicContact CD1-CG1 3.94Å; Y143-V275 HydrophobicContact CE1-CG1 3.95Å; Y269-V275 HydrophobicContact CD1-CG1 4.32Å; Y269-V275 HydrophobicContact CD1-CG2 4.06Å; Y269-V275 HydrophobicContact CE1-CB 4.39Å; Y269-V275 HydrophobicContact CE1-CG1 3.88Å; Y269-V275 HydrophobicContact CE1-CG2 3.61Å; Y269-V275 HydrophobicContact CE2-CG2 4.3Å; Y269-V275 WeakPolarHBondContact O-CG2 3.3Å; R272-V275 HydrophobicContact CB-CB 4.48Å; R272-V275 HydrophobicContact CB-CG2 4.19Å; R272-V275 WeakPolarHBondContact O-CA 3.11Å; R272-V275 PolarHBondContact O-N 2.91Å; R273-V275 PolarHBondContact O-N 2.91Å; V275-L279 PolarHBondContact O-N 2.97Å; V275-L280 WeakPolarHBondContact O-CG 3.27Å; V275-L280 PolarHBondContact O-N 3.19Å; V275-L313 HydrophobicContact CG2-CD1 4.47Å; V275-L313 HydrophobicContact CG2-CD2 3.76Å; V275-F449 HydrophobicContact CG1-CE1 4.26Å
276N82.6Confident88.9Confident66 Ų6662.1 Ų62.135%0.35331%0.305SS..Hα-helixtrans-74.3-30.2-16866.21.3000114.6L271 R272 R273L271-N276 PolarHBondContact O-ND2 3.49Å; R272-N276 PolarHBondContact O-N 3.07Å; R272-N276 PolarHBondContact O-OD1 2.58Å; R272-N276 VanDerWaalsContact O-OD1 3.06Å; R273-N276 WeakPolarHBondContact CA-OD1 3.18Å; R273-N276 PolarHBondContact O-OD1 2.85Å
277E81.7Confident89Confident120 Ų12064.5 Ų64.556%0.56132%0.315SS*.THydrogen-bonded Turntrans-105.9-34.9-177.9-69.7162.9-162.800111.3R273R273-E277 WeakPolarHBondContact O-CB 3.13Å; R273-E277 PolarHBondContact O-N 2.98Å; R273-E277 VanDerWaalsContact O-N 3.15Å
278N85Confident89.2Confident84 Ų8459.3 Ų59.345%0.44929%0.291SS..THydrogen-bonded Turntrans-105.4-18.4-166.4-70.9-34.3000116R273 S274 K282R273-N278 PolarHBondContact O-N 3.19Å; S274-N278 CarbonylContact O-C 3.49Å; S274-N278 WeakPolarHBondContact O-CB 3.49Å; N278-K282 WeakPolarHBondContact O-CD 3.37Å; N278-K282 WeakPolarHBondContact O-CE 3.4Å; N278-K282 PolarHBondContact O-NZ 2.73Å
279L89.3Confident89.4Confident9 Ų954.2 Ų54.25%0.04727%0.27CS..THydrogen-bonded Turntrans-116.7-44.8-175-70.7174.3000114S274 V275 G281 K282 F284 I310 L313 F449S274-L279 WeakPolarHBondContact O-CB 3.14Å; S274-L279 WeakPolarHBondContact O-CD1 3.46Å; S274-L279 WeakPolarHBondContact O-CG 3.45Å; S274-L279 PolarHBondContact O-N 2.91Å; V275-L279 PolarHBondContact O-N 2.97Å; L279-G281 PolarHBondContact O-N 3.15Å; L279-K282 WeakPolarHBondContact O-CB 3.37Å; L279-K282 PolarHBondContact O-N 2.97Å; L279-F284 HydrophobicContact CD2-CE1 3.95Å; L279-F284 HydrophobicContact CD2-CE2 3.93Å; L279-F284 HydrophobicContact CD2-CZ 3.29Å; L279-I310 HydrophobicContact CD2-CG1 4.39Å; L279-L313 HydrophobicContact CD1-CD1 3.09Å; L279-L313 HydrophobicContact CG-CD1 4.5Å; L279-F449 HydrophobicContact CB-CB 4.35Å; L279-F449 HydrophobicContact CB-CD1 3.46Å; L279-F449 VanDerWaalsContact CB-CD1 3.46Å; L279-F449 HydrophobicContact CB-CD2 4.41Å; L279-F449 HydrophobicContact CB-CE1 3.74Å; L279-F449 HydrophobicContact CB-CG 3.83Å; L279-F449 HydrophobicContact CB-CZ 4.32Å; L279-F449 HydrophobicContact CD1-CD2 4.45Å; L279-F449 HydrophobicContact CD1-CE1 4.29Å; L279-F449 HydrophobicContact CD1-CE2 4.16Å; L279-F449 HydrophobicContact CD1-CZ 4.07Å; L279-F449 WeakPolarHBondContact O-CB 3.47Å
280L87.9Confident89.6Confident60 Ų6053.6 Ų53.631%0.31427%0.268SS..THydrogen-bonded Turntrans-52.7125-176-73.3173.9000112Y143 V275 K282 F449 A451Y143-L280 HydrophobicContact CD1-CD2 4.17Å; Y143-L280 HydrophobicContact CE1-CD2 4.27Å; V275-L280 WeakPolarHBondContact O-CG 3.27Å; V275-L280 PolarHBondContact O-N 3.19Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.49Å; L280-F449 HydrophobicContact CD2-CD1 4.17Å; L280-F449 HydrophobicContact CD2-CE1 4.17Å; L280-A451 HydrophobicContact CD2-CB 4.19Å
281G84.1Confident90Very high36 Ų3653.1 Ų53.137%0.37126%0.263SS..THydrogen-bonded Turntrans80.4-4.5-179.500000115.3L279 F449L279-G281 PolarHBondContact O-N 3.15Å; G281-F449 PolarHBondContact N-O 2.98Å
282K86.9Confident90.4Very high98 Ų9849.3 Ų49.343%0.42624%0.244SC..  trans-83.9149.9178.8-63.5-161.2-168.6161.50112.3N278 L279 L280 F284 T448 F449N278-K282 WeakPolarHBondContact O-CD 3.37Å; N278-K282 WeakPolarHBondContact O-CE 3.4Å; N278-K282 PolarHBondContact O-NZ 2.73Å; L279-K282 WeakPolarHBondContact O-CB 3.37Å; L279-K282 PolarHBondContact O-N 2.97Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.49Å; K282-F284 HydrophobicContact CB-CE2 3.6Å; K282-F284 HydrophobicContact CB-CZ 3.85Å; K282-F284 WeakPolarHBondContact O-CD2 3.41Å; K282-F284 WeakPolarHBondContact O-CE2 3.21Å; K282-T448 WeakPolarHBondContact O-CA 3.33Å; K282-F449 PolarHBondContact O-N 2.81Å
283L87.4Confident90.7Very high86 Ų8644.8 Ų44.845%0.4523%0.227SC..EExtended strand (participates in β ladder)trans-94.5137.2177.1-67.8171.7000111.7P183 V447 T448P183-L283 HydrophobicContact CG-CD2 3.73Å; L283-V447 CarbonylContact C-O 3.54Å; L283-V447 WeakPolarHBondContact CA-O 3.37Å; L283-T448 WeakPolarHBondContact CD2-OG1 3.45Å
284F89.2Confident91Very high33 Ų3336.2 Ų36.215%0.14520%0.195CC..EExtended strand (participates in β ladder)trans-127.1162.7178.8-62.8-89.1000110.5W145 L279 K282 I310 R446 V447 F449W145-F284 AromaticContact CD1-CD2 3.83Å; W145-F284 AromaticContact CE2-CG 3.9Å; W145-F284 HydrophobicContact CZ2-CB 4.1Å; W145-F284 HydrophobicContact CZ2-CD1 4.24Å; W145-F284 HydrophobicContact CZ2-CG 4.02Å; W145-F284 AromaticContact NE1-CD2 3.12Å; W145-F284 AromaticContact NE1-CE2 3.83Å; W145-F284 AromaticContact NE1-CG 3.4Å; L279-F284 HydrophobicContact CD2-CE1 3.95Å; L279-F284 HydrophobicContact CD2-CE2 3.93Å; L279-F284 HydrophobicContact CD2-CZ 3.29Å; K282-F284 HydrophobicContact CB-CE2 3.6Å; K282-F284 HydrophobicContact CB-CZ 3.85Å; K282-F284 WeakPolarHBondContact O-CD2 3.41Å; K282-F284 WeakPolarHBondContact O-CE2 3.21Å; F284-I310 HydrophobicContact CD1-CD1 3.72Å; F284-I310 HydrophobicContact CE1-CD1 3.57Å; F284-R446 WeakPolarHBondContact O-CA 3.34Å; F284-R446 PolarHBondContact O-NH1 2.91Å; F284-V447 HydrophobicContact CB-CG2 4.11Å; F284-V447 PolarHBondContact N-O 3.41Å; F284-V447 PolarHBondContact O-N 3.21Å; F284-F449 HydrophobicContact CD2-CB 4.04Å; F284-F449 HydrophobicContact CE2-CB 3.73Å
285T89.8Confident91.3Very high59 Ų5937 Ų3736%0.36220%0.2SC..EExtended strand (participates in β ladder)trans-112.8122.4168.9-57.10000108H444 Y445 R446T285-H444 HydrophobicContact CG2-CB 4.01Å; T285-Y445 CarbonylContact C-O 3.39Å; T285-Y445 VanDerWaalsContact CA-O 3.29Å; T285-Y445 WeakPolarHBondContact CA-O 3.27Å; T285-R446 VanDerWaalsContact OG1-CD 3.24Å; T285-R446 WeakPolarHBondContact OG1-CD 3.43Å; T285-R446 PolarHBondContact OG1-NH1 2.89Å
286V92.2Very high91.5Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-110.2156.7176.8-62.40000110.4W145 W147 I253 V302 H444 Y445 V447W145-V286 HydrophobicContact CD2-CG1 3.87Å; W145-V286 HydrophobicContact CE3-CG1 3.27Å; W145-V286 HydrophobicContact CH2-CG1 3.94Å; W145-V286 HydrophobicContact CZ2-CG1 4.47Å; W145-V286 HydrophobicContact CZ3-CG1 3.27Å; W147-V286 HydrophobicContact CH2-CG2 4.2Å; W147-V286 HydrophobicContact CZ2-CG2 4.04Å; I253-V286 HydrophobicContact CD1-CB 4.35Å; I253-V286 HydrophobicContact CD1-CG1 4.16Å; I253-V286 HydrophobicContact CD1-CG2 4.03Å; V286-V302 HydrophobicContact CB-CG1 4.2Å; V286-H444 WeakPolarHBondContact O-CA 3.44Å; V286-Y445 PolarHBondContact N-O 3.1Å; V286-Y445 PolarHBondContact O-N 2.83Å; V286-V447 HydrophobicContact CB-CG2 4.49Å; V286-V447 HydrophobicContact CG1-CG2 3.63Å; V286-V447 HydrophobicContact CG2-CG1 3.92Å; V286-V447 HydrophobicContact CG2-CG2 4.11Å
287Q94.8Very high92.2Very high51 Ų5136.1 Ų36.124%0.23819%0.192CC..EExtended strand (participates in β ladder)trans-109.5120.5179-73.4179.9-2600109.9V302 K303 P442 Q443 H444Q287-V302 CarbonylContact O-C 3.54Å; Q287-V302 WeakPolarHBondContact O-CA 3.45Å; Q287-K303 HydrophobicContact CB-CB 4.03Å; Q287-K303 PolarHBondContact N-O 3.47Å; Q287-K303 PolarHBondContact O-N 3.33Å; Q287-P442 HydrophobicContact CB-CB 4Å; Q287-P442 HydrophobicContact CG-CB 4.23Å; Q287-Q443 CarbonylContact C-O 3.29Å; Q287-Q443 VanDerWaalsContact CA-O 3.29Å; Q287-Q443 WeakPolarHBondContact CA-O 3.4Å; Q287-H444 PolarHBondContact NE2-NE2 2.78Å
288I96.8Very high93Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-86.2123.3165.8-59.8-61.2000107.8W147 L190 W193 A300 R301 V302 L439 P442 Q443 Y445W147-I288 HydrophobicContact CH2-CD1 4.43Å; L190-I288 HydrophobicContact CD1-CD1 4.32Å; L190-I288 HydrophobicContact CD1-CG1 3.98Å; W193-I288 HydrophobicContact CH2-CG2 3.45Å; W193-I288 VanDerWaalsContact CH2-CG2 3.45Å; W193-I288 HydrophobicContact CZ2-CG2 4.21Å; W193-I288 HydrophobicContact CZ3-CG2 3.64Å; I288-A300 HydrophobicContact CD1-CB 4.16Å; I288-A300 HydrophobicContact CG2-CB 4.18Å; I288-R301 WeakPolarHBondContact CA-O 3.45Å; I288-V302 HydrophobicContact CD1-CG2 3.77Å; I288-L439 HydrophobicContact CG2-CD1 4.43Å; I288-L439 WeakPolarHBondContact O-CD1 3.45Å; I288-P442 CarbonylContact O-C 3.32Å; I288-P442 VanDerWaalsContact O-CA 3.29Å; I288-P442 WeakPolarHBondContact O-CA 3.13Å; I288-Q443 HydrophobicContact CB-CB 4.42Å; I288-Q443 PolarHBondContact N-O 2.68Å; I288-Q443 PolarHBondContact O-N 2.86Å; I288-Y445 HydrophobicContact CB-CD2 4.21Å; I288-Y445 HydrophobicContact CB-CE2 4.09Å; I288-Y445 HydrophobicContact CG1-CD2 3.5Å; I288-Y445 HydrophobicContact CG1-CE2 3.66Å
289T97.4Very high93.6Very high32 Ų3226.5 Ų26.520%0.19615%0.145CC..EExtended strand (participates in β ladder)trans-105.1-12.6-176590000113.4R301 K303 L439 P442T289-R301 PolarHBondContact N-O 2.93Å; T289-R301 WeakPolarHBondContact OG1-CB 3.46Å; T289-K303 HydrophobicContact CG2-CB 3.63Å; T289-K303 HydrophobicContact CG2-CD 4.38Å; T289-L439 WeakPolarHBondContact O-CB 3.49Å; T289-L439 PolarHBondContact O-N 3.49Å; T289-P442 HydrophobicContact CG2-CB 4.24Å; T289-P442 HydrophobicContact CG2-CG 4.24Å
290G98.1Very high94Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans167-174.8-174.500000113.7A300 R301 Y437G290-A300 WeakPolarHBondContact O-CA 3.38Å; G290-R301 PolarHBondContact O-N 2.9Å; G290-Y437 CarbonylContact C-O 3.49Å; G290-Y437 WeakPolarHBondContact CA-O 3.34Å
291L98.2Very high94.5Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-125140.5177.3-163.773.1000109.5W193 V197 I293 I298 G299 A300 M344 V436 Y437W193-L291 HydrophobicContact CH2-CB 4.36Å; V197-L291 HydrophobicContact CG1-CB 4.49Å; V197-L291 HydrophobicContact CG1-CD2 3.94Å; L291-I293 HydrophobicContact CD2-CD1 3.93Å; L291-I293 HydrophobicContact CD2-CG1 3.84Å; L291-I293 HydrophobicContact CG-CG1 4.17Å; L291-I298 HydrophobicContact CD1-CG2 3.95Å; L291-I298 HydrophobicContact CD2-CG2 4.04Å; L291-I298 HydrophobicContact CG-CG2 4.13Å; L291-G299 CarbonylContact C-O 3.57Å; L291-G299 WeakPolarHBondContact CA-O 3.3Å; L291-A300 HydrophobicContact CD1-CB 4.34Å; L291-M344 HydrophobicContact CD1-SD 3.75Å; L291-V436 WeakPolarHBondContact O-CA 3.28Å; L291-Y437 HydrophobicContact CB-CD1 4.37Å; L291-Y437 PolarHBondContact N-O 3.43Å; L291-Y437 PolarHBondContact O-N 2.91Å
292V98.3Very high95.1Very high7 Ų723.3 Ų23.34%0.04212%0.118CC..EExtended strand (participates in β ladder)trans-112.6124.9169.3179.80000107.5T294 I298 G299 R301 L359 V362 I434 V436V292-T294 HydrophobicContact CG1-CG2 3.91Å; V292-I298 WeakPolarHBondContact O-CA 3.31Å; V292-G299 PolarHBondContact N-O 3.25Å; V292-G299 PolarHBondContact O-N 3.39Å; V292-R301 HydrophobicContact CG2-CG 3.67Å; V292-L359 HydrophobicContact CG2-CD1 4.08Å; V292-V362 HydrophobicContact CG1-CG2 4.02Å; V292-I434 HydrophobicContact CG1-CG2 3.68Å; V292-V436 HydrophobicContact CG2-CG2 4.44Å
293I97.7Very high95.4Very high2 Ų223.9 Ų23.91%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-118.8115.9178.7-58.3163.1000107.1L198 I201 W230 L291 I298 Y435L198-I293 HydrophobicContact CD1-CD1 3.68Å; L198-I293 HydrophobicContact CD1-CG1 4.13Å; L198-I293 HydrophobicContact CD1-CG2 4.23Å; I201-I293 HydrophobicContact CB-CD1 4.21Å; I201-I293 HydrophobicContact CD1-CD1 3.63Å; I201-I293 HydrophobicContact CG2-CD1 4Å; W230-I293 HydrophobicContact CH2-CG2 4.3Å; W230-I293 HydrophobicContact CZ2-CG2 4.05Å; L291-I293 HydrophobicContact CD2-CD1 3.93Å; L291-I293 HydrophobicContact CD2-CG1 3.84Å; L291-I293 HydrophobicContact CG-CG1 4.17Å; I293-I298 HydrophobicContact CG1-CG1 4.49Å; I293-I298 HydrophobicContact CG1-CG2 4.34Å; I293-I298 HydrophobicContact CG2-CG1 4.22Å; I293-Y435 PolarHBondContact N-O 2.98Å; I293-Y435 PolarHBondContact O-N 3.35Å
294T95.9Very high95.6Very high1 Ų120.1 Ų20.11%0.00610%0.101CC..  trans-118172.2174.181.80000109.7W230 V292 R296 T297 D358 I434W230-T294 WeakPolarHBondContact CZ2-O 3.41Å; W230-T294 PolarHBondContact NE1-O 2.87Å; V292-T294 HydrophobicContact CG1-CG2 3.91Å; T294-R296 PolarHBondContact O-N 3.39Å; T294-R296 VanDerWaalsContact O-N 3.09Å; T294-R296 PolarHBondContact OG1-N 3.31Å; T294-T297 PolarHBondContact N-O 2.68Å; T294-T297 PolarHBondContact OG1-N 2.82Å; T294-T297 PolarHBondContact OG1-O 2.73Å; T294-T297 PolarHBondContact OG1-OG1 2.8Å; T294-D358 HydrophobicContact CG2-CB 3.85Å; T294-D358 WeakPolarHBondContact CG2-OD2 3.49Å; T294-D358 PolarHBondContact OG1-OD2 3.03Å; T294-I434 HydrophobicContact CG2-CB 4.42Å; T294-I434 HydrophobicContact CG2-CD1 3.72Å; T294-I434 HydrophobicContact CG2-CG1 3.82Å; T294-I434 HydrophobicContact CG2-CG2 3.95Å
295S93.5Very high95.6Very high34 Ų3420.2 Ų20.224%0.23811%0.105CC..SBendtrans-60.5-16.1170.666.90000113.6H229 E432H229-S295 PolarHBondContact NE2-O 3.06Å; S295-E432 PolarHBondContact OG-OE2 3.32Å
296R94.6Very high95.4Very high45 Ų4524.2 Ų24.217%0.1712%0.124CC..SBendtrans-113.7-35.9-171.6-54.3-171.1-61144.52.6112.9T294 L346 A347 V350 E354 D358T294-R296 PolarHBondContact O-N 3.39Å; T294-R296 VanDerWaalsContact O-N 3.09Å; T294-R296 PolarHBondContact OG1-N 3.31Å; R296-L346 CarbonylContact O-C 3.56Å; R296-L346 WeakPolarHBondContact O-CA 3.15Å; R296-A347 PolarHBondContact O-N 2.9Å; R296-V350 HydrophobicContact CB-CG1 4.16Å; R296-V350 HydrophobicContact CB-CG2 4.12Å; R296-E354 IonicContact CZ-OE2 2.72Å; R296-E354 IonicContact NH1-OE2 3.8Å; R296-E354 PolarHBondContact NH1-OE2 3.49Å; R296-E354 IonicContact NH2-OE2 3.75Å; R296-E354 PolarHBondContact NH2-OE2 2.81Å; R296-D358 IonicContact CZ-OD1 3.06Å; R296-D358 IonicContact NE-OD1 3.53Å; R296-D358 IonicContact NE-OD2 2.94Å; R296-D358 IonicContact NH2-OD1 3.91Å; R296-D358 PolarHBondContact NH2-OD1 3.01Å; R296-D358 IonicContact NH2-OD2 3.77Å
297T96.9Very high95.2Very high1 Ų127.3 Ų27.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-143148.1-169.472.10000112T294 L346 V350 E354 T355 D358T294-T297 PolarHBondContact N-O 2.68Å; T294-T297 PolarHBondContact OG1-N 2.82Å; T294-T297 PolarHBondContact OG1-O 2.73Å; T294-T297 PolarHBondContact OG1-OG1 2.8Å; T297-L346 HydrophobicContact CG2-CD2 3.74Å; T297-V350 HydrophobicContact CG2-CG1 3.92Å; T297-E354 HydrophobicContact CG2-CB 3.94Å; T297-T355 WeakPolarHBondContact CB-OG1 3.38Å; T297-D358 PolarHBondContact OG1-OD2 2.86Å
298I98Very high94.8Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-120.1118.1166.4-60.6175.2000107.1L198 W230 F238 L291 V292 I293 M344 A345L198-I298 HydrophobicContact CD1-CD1 3.69Å; L198-I298 HydrophobicContact CD2-CD1 3.62Å; L198-I298 HydrophobicContact CG-CD1 4.29Å; W230-I298 HydrophobicContact CD2-CD1 3.78Å; W230-I298 HydrophobicContact CD2-CG1 4.46Å; W230-I298 HydrophobicContact CE3-CD1 4.12Å; W230-I298 HydrophobicContact CG-CD1 4.07Å; W230-I298 HydrophobicContact CZ2-CD1 4.29Å; F238-I298 HydrophobicContact CE1-CB 4.49Å; F238-I298 HydrophobicContact CE1-CD1 4.3Å; F238-I298 HydrophobicContact CE1-CG2 4Å; F238-I298 HydrophobicContact CZ-CG2 4.14Å; L291-I298 HydrophobicContact CD1-CG2 3.95Å; L291-I298 HydrophobicContact CD2-CG2 4.04Å; L291-I298 HydrophobicContact CG-CG2 4.13Å; V292-I298 WeakPolarHBondContact O-CA 3.31Å; I293-I298 HydrophobicContact CG1-CG1 4.49Å; I293-I298 HydrophobicContact CG1-CG2 4.34Å; I293-I298 HydrophobicContact CG2-CG1 4.22Å; I298-M344 HydrophobicContact CG2-CB 4.35Å; I298-M344 PolarHBondContact O-N 2.71Å; I298-A345 HydrophobicContact CB-CB 3.87Å; I298-A345 HydrophobicContact CD1-CB 3.9Å; I298-A345 HydrophobicContact CG1-CB 4.12Å; I298-A345 PolarHBondContact N-O 2.9Å; I298-A345 PolarHBondContact O-N 3.23Å
299G98.2Very high94.3Very high2 Ų236 Ų362%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-136.6134.8-173.100000113.6L291 V292 V342L291-G299 CarbonylContact C-O 3.57Å; L291-G299 WeakPolarHBondContact CA-O 3.3Å; V292-G299 PolarHBondContact N-O 3.25Å; V292-G299 PolarHBondContact O-N 3.39Å; G299-V342 CarbonylContact C-O 3.6Å; G299-V342 VanDerWaalsContact CA-O 3.22Å; G299-V342 WeakPolarHBondContact CA-O 3.34Å
300A98.2Very high93.8Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-81.7131.6170.800000110.6W193 I288 G290 L291 H341 V342 M344W193-A300 HydrophobicContact CZ3-CB 4.11Å; I288-A300 HydrophobicContact CD1-CB 4.16Å; I288-A300 HydrophobicContact CG2-CB 4.18Å; G290-A300 WeakPolarHBondContact O-CA 3.38Å; L291-A300 HydrophobicContact CD1-CB 4.34Å; A300-H341 CarbonylContact O-C 3.6Å; A300-H341 WeakPolarHBondContact O-CA 3.32Å; A300-H341 WeakPolarHBondContact O-CB 3.37Å; A300-V342 HydrophobicContact CB-CB 4.24Å; A300-V342 PolarHBondContact N-O 3.07Å; A300-V342 PolarHBondContact O-N 3.06Å; A300-M344 HydrophobicContact CB-CE 3.74Å; A300-M344 HydrophobicContact CB-SD 4.34Å
301R97.6Very high93.3Very high28 Ų2838.1 Ų38.111%0.10619%0.191CC..EExtended strand (participates in β ladder)trans-77.3129.6177.6-58.8-178.872172.610.9109.7I288 T289 G290 V292 L359 E366 D438I288-R301 WeakPolarHBondContact CA-O 3.45Å; T289-R301 PolarHBondContact N-O 2.93Å; T289-R301 WeakPolarHBondContact OG1-CB 3.46Å; G290-R301 PolarHBondContact O-N 2.9Å; V292-R301 HydrophobicContact CG2-CG 3.67Å; R301-L359 HydrophobicContact CG-CD1 3.88Å; R301-E366 IonicContact CZ-OE1 2.66Å; R301-E366 IonicContact CZ-OE2 3.36Å; R301-E366 IonicContact NH1-OE1 2.83Å; R301-E366 PolarHBondContact NH1-OE1 3.35Å; R301-E366 IonicContact NH1-OE2 3.03Å; R301-E366 IonicContact NH2-OE1 3.66Å; R301-E366 PolarHBondContact NH2-OE1 3.12Å; R301-E366 IonicContact NH2-OE2 2.8Å; R301-E366 PolarHBondContact NH2-OE2 3.22Å; R301-D438 IonicContact NH1-OD1 2.63Å; R301-D438 PolarHBondContact NH1-OD1 3.11Å
302V96.9Very high92.8Very high10 Ų1043.5 Ų43.56%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-112128.1179.6-179.50000110.2I253 V286 Q287 I288 L304 A340 V342I253-V302 HydrophobicContact CD1-CB 4.44Å; I253-V302 HydrophobicContact CD1-CG1 3.88Å; I253-V302 HydrophobicContact CD1-CG2 3.76Å; I253-V302 HydrophobicContact CG1-CG2 3.96Å; I253-V302 HydrophobicContact CG2-CG2 4.41Å; V286-V302 HydrophobicContact CB-CG1 4.2Å; Q287-V302 CarbonylContact O-C 3.54Å; Q287-V302 WeakPolarHBondContact O-CA 3.45Å; I288-V302 HydrophobicContact CD1-CG2 3.77Å; V302-L304 HydrophobicContact CG1-CD2 4.29Å; V302-A340 HydrophobicContact CB-CB 3.93Å; V302-A340 WeakPolarHBondContact CB-O 3.36Å; V302-A340 HydrophobicContact CG1-CB 4.29Å; V302-A340 PolarHBondContact N-O 3.05Å; V302-V342 HydrophobicContact CG2-CG2 4.11Å
303K93.8Very high92.4Very high110 Ų11043.4 Ų43.448%0.47822%0.215SC..EExtended strand (participates in β ladder)trans-95118.1164178.4171.9177.7-179.60109.6Q287 T289Q287-K303 HydrophobicContact CB-CB 4.03Å; Q287-K303 PolarHBondContact N-O 3.47Å; Q287-K303 PolarHBondContact O-N 3.33Å; T289-K303 HydrophobicContact CG2-CB 3.63Å; T289-K303 HydrophobicContact CG2-CD 4.38Å
304L91.1Very high92Very high8 Ų844 Ų444%0.04222%0.218CC..PPolyproline II helixtrans-67.9149.1177.6-56.6-175.7000111.1W145 V302 R311 W314 A340W145-L304 HydrophobicContact CE3-CD2 4.43Å; W145-L304 HydrophobicContact CH2-CD2 3.95Å; W145-L304 HydrophobicContact CZ3-CD2 3.42Å; W145-L304 VanDerWaalsContact CZ3-CD2 3.42Å; V302-L304 HydrophobicContact CG1-CD2 4.29Å; L304-R311 HydrophobicContact CB-CG 4.17Å; L304-R311 HydrophobicContact CD1-CG 4.24Å; L304-W314 HydrophobicContact CD1-CB 3.61Å; L304-W314 HydrophobicContact CD1-CD2 4.31Å; L304-W314 HydrophobicContact CD1-CG 3.89Å; L304-W314 HydrophobicContact CD2-CD2 4.32Å; L304-W314 HydrophobicContact CD2-CG 4.32Å; L304-A340 HydrophobicContact CD2-CB 3.61Å; L304-A340 HydrophobicContact CG-CB 4.04Å
305P88.5Confident91.7Very high34 Ų3445.3 Ų45.322%0.22123%0.228CC..PPolyproline II helixtrans-51.2154.8169.8-23.234.3000112.2W145 D307 R311W145-P305 VanDerWaalsContact CH2-CD 3.42Å; W145-P305 HydrophobicContact CH2-CG 3.97Å; W145-P305 HydrophobicContact CZ2-CG 4.44Å; P305-D307 PolarHBondContact O-N 3.02Å; P305-R311 PolarHBondContact O-NE 3.26Å
306N86.5Confident91.2Very high143 Ų14347.7 Ų47.777%0.76525%0.25SS*.SBendtrans-7962174.6-161.942.5000111.4R311N306-R311 PolarHBondContact OD1-NH1 3.39Å; N306-R311 PolarHBondContact OD1-NH2 2.96Å
307D88.6Confident90.9Very high66 Ų6649.7 Ų49.735%0.35326%0.261SS..  trans-127.3119.8177178.2-52.8000107.5P305 V309 I310 R311P305-D307 PolarHBondContact O-N 3.02Å; D307-V309 VanDerWaalsContact C-N 3.34Å; D307-V309 PolarHBondContact O-N 3.21Å; D307-V309 WeakPolarHBondContact OD1-CA 3.32Å; D307-V309 WeakPolarHBondContact OD1-CB 3.43Å; D307-V309 PolarHBondContact OD1-N 3.19Å; D307-I310 HydrophobicContact CB-CB 3.99Å; D307-I310 HydrophobicContact CB-CD1 3.81Å; D307-I310 HydrophobicContact CB-CG1 3.99Å; D307-I310 PolarHBondContact O-N 3.43Å; D307-I310 PolarHBondContact OD1-N 3.01Å; D307-R311 WeakPolarHBondContact O-CB 3.42Å; D307-R311 WeakPolarHBondContact O-CG 2.88Å; D307-R311 PolarHBondContact O-N 3.19Å
308E86.7Confident90.7Very high152 Ų15249.7 Ų49.771%0.7126%0.262SS*.Hα-helixtrans-64.5-38.3-175.5-68.4-173.9169.800112.2I310 R311 H312E308-I310 VanDerWaalsContact C-N 3.34Å; E308-I310 PolarHBondContact O-N 3.05Å; E308-R311 PolarHBondContact O-N 3.41Å; E308-H312 WeakPolarHBondContact O-CB 3.36Å; E308-H312 PolarHBondContact O-N 3.49Å; E308-H312 PolarHBondContact O-ND1 2.76Å
309V86.1Confident90.3Very high82 Ų8254 Ų5450%0.49728%0.282SS..Hα-helixtrans-64.5-44.7179.6179.10000109.6D307 L313D307-V309 VanDerWaalsContact C-N 3.34Å; D307-V309 PolarHBondContact O-N 3.21Å; D307-V309 WeakPolarHBondContact OD1-CA 3.32Å; D307-V309 WeakPolarHBondContact OD1-CB 3.43Å; D307-V309 PolarHBondContact OD1-N 3.19Å; V309-L313 WeakPolarHBondContact O-CG 3.1Å; V309-L313 PolarHBondContact O-N 3.21Å
310I87.3Confident89.9Confident6 Ų658 Ų583%0.03130%0.3CS..Hα-helixtrans-63.1-49.5176.9-66.7177.2000110.4W145 L279 F284 D307 E308 H312 L313 W314W145-I310 HydrophobicContact CH2-CG2 3.42Å; W145-I310 VanDerWaalsContact CH2-CG2 3.42Å; W145-I310 HydrophobicContact CZ2-CD1 4.3Å; W145-I310 HydrophobicContact CZ2-CG2 3.55Å; L279-I310 HydrophobicContact CD2-CG1 4.39Å; F284-I310 HydrophobicContact CD1-CD1 3.72Å; F284-I310 HydrophobicContact CE1-CD1 3.57Å; D307-I310 HydrophobicContact CB-CB 3.99Å; D307-I310 HydrophobicContact CB-CD1 3.81Å; D307-I310 HydrophobicContact CB-CG1 3.99Å; D307-I310 PolarHBondContact O-N 3.43Å; D307-I310 PolarHBondContact OD1-N 3.01Å; E308-I310 VanDerWaalsContact C-N 3.34Å; E308-I310 PolarHBondContact O-N 3.05Å; I310-H312 VanDerWaalsContact C-N 3.32Å; I310-H312 PolarHBondContact O-N 2.79Å; I310-L313 WeakPolarHBondContact O-CB 3.08Å; I310-L313 PolarHBondContact O-N 3.43Å; I310-W314 HydrophobicContact CG2-CE3 4.33Å; I310-W314 HydrophobicContact CG2-CZ3 4.09Å; I310-W314 VanDerWaalsContact O-CE3 3.31Å
311R86.6Confident89.4Confident70 Ų7063 Ų6326%0.26433%0.33SS..Hα-helixtrans-60-42.1-179.3-74.8179.8178.4174.6-0.1112.4L304 P305 N306 D307 E308 L313 W314 A315 T336L304-R311 HydrophobicContact CB-CG 4.17Å; L304-R311 HydrophobicContact CD1-CG 4.24Å; P305-R311 PolarHBondContact O-NE 3.26Å; N306-R311 PolarHBondContact OD1-NH1 3.39Å; N306-R311 PolarHBondContact OD1-NH2 2.96Å; D307-R311 WeakPolarHBondContact O-CB 3.42Å; D307-R311 WeakPolarHBondContact O-CG 2.88Å; D307-R311 PolarHBondContact O-N 3.19Å; E308-R311 PolarHBondContact O-N 3.41Å; R311-L313 PolarHBondContact O-N 3.23Å; R311-W314 PolarHBondContact O-N 3.2Å; R311-W314 VanDerWaalsContact O-N 3.13Å; R311-A315 PolarHBondContact O-N 2.76Å; R311-T336 HydrophobicContact CB-CG2 3.84Å; R311-T336 VanDerWaalsContact O-CG2 3.3Å; R311-T336 WeakPolarHBondContact O-CG2 3.33Å
312H87.3Confident88.9Confident113 Ų11362.3 Ų62.352%0.52333%0.329SS..Hα-helixtrans-64.6-20.6177.3-78.988.9000113.9E308 I310E308-H312 WeakPolarHBondContact O-CB 3.36Å; E308-H312 PolarHBondContact O-N 3.49Å; E308-H312 PolarHBondContact O-ND1 2.76Å; I310-H312 VanDerWaalsContact C-N 3.32Å; I310-H312 PolarHBondContact O-N 2.79Å
313L89.4Confident88.3Confident4 Ų463.1 Ų63.12%0.02133%0.332CS..Hα-helixtrans-76.5-25.8175.8-70.1165.8000113Y269 V275 L279 V309 I310 R311Y269-L313 HydrophobicContact CD2-CD2 4.35Å; Y269-L313 HydrophobicContact CE2-CB 4.4Å; Y269-L313 HydrophobicContact CE2-CD2 3.53Å; V275-L313 HydrophobicContact CG2-CD1 4.47Å; V275-L313 HydrophobicContact CG2-CD2 3.76Å; L279-L313 HydrophobicContact CD1-CD1 3.09Å; L279-L313 HydrophobicContact CG-CD1 4.5Å; V309-L313 WeakPolarHBondContact O-CG 3.1Å; V309-L313 PolarHBondContact O-N 3.21Å; I310-L313 WeakPolarHBondContact O-CB 3.08Å; I310-L313 PolarHBondContact O-N 3.43Å; R311-L313 PolarHBondContact O-N 3.23Å
314W90.8Very high87.2Confident15 Ų1563 Ų636%0.05734%0.342CS..Hα-helixtrans-94.9-4.8175-88.2-99000113.4W145 I253 T254 A255 L304 I310 R311 A316 F449W145-W314 AromaticContact CD2-CH2 3.66Å; W145-W314 HydrophobicContact CD2-CH2 3.66Å; W145-W314 AromaticContact CD2-CZ2 3.88Å; W145-W314 HydrophobicContact CD2-CZ2 3.88Å; W145-W314 AromaticContact CE2-CH2 3.72Å; W145-W314 AromaticContact CE3-CH2 3.85Å; W145-W314 HydrophobicContact CE3-CH2 3.85Å; W145-W314 AromaticContact CE3-CZ2 3.72Å; W145-W314 HydrophobicContact CE3-CZ2 3.72Å; W145-W314 HydrophobicContact CG-CH2 4.21Å; W145-W314 HydrophobicContact CG-CZ2 4.37Å; W145-W314 HydrophobicContact CH2-CH2 4.12Å; W145-W314 HydrophobicContact CH2-CZ3 4.34Å; W145-W314 AromaticContact CZ2-CH2 3.95Å; W145-W314 HydrophobicContact CZ2-CH2 3.95Å; W145-W314 HydrophobicContact CZ2-CZ3 4.23Å; W145-W314 HydrophobicContact CZ3-CH2 4.11Å; W145-W314 HydrophobicContact CZ3-CZ2 4.12Å; I253-W314 HydrophobicContact CG2-CZ2 4.31Å; I253-W314 WeakPolarHBondContact O-CZ2 3.35Å; T254-W314 VanDerWaalsContact O-CD1 3.25Å; T254-W314 PolarHBondContact O-NE1 2.82Å; A255-W314 HydrophobicContact CB-CD2 3.74Å; A255-W314 HydrophobicContact CB-CE3 3.8Å; A255-W314 HydrophobicContact CB-CH2 3.62Å; A255-W314 HydrophobicContact CB-CZ2 3.49Å; A255-W314 VanDerWaalsContact CB-CZ2 3.49Å; A255-W314 HydrophobicContact CB-CZ3 3.74Å; L304-W314 HydrophobicContact CD1-CB 3.61Å; L304-W314 HydrophobicContact CD1-CD2 4.31Å; L304-W314 HydrophobicContact CD1-CG 3.89Å; L304-W314 HydrophobicContact CD2-CD2 4.32Å; L304-W314 HydrophobicContact CD2-CG 4.32Å; I310-W314 HydrophobicContact CG2-CE3 4.33Å; I310-W314 HydrophobicContact CG2-CZ3 4.09Å; I310-W314 VanDerWaalsContact O-CE3 3.31Å; R311-W314 PolarHBondContact O-N 3.2Å; R311-W314 VanDerWaalsContact O-N 3.13Å; W314-A316 VanDerWaalsContact C-N 3.34Å; W314-A316 PolarHBondContact O-N 3.12Å; W314-F449 AromaticContact CH2-CD2 3.81Å; W314-F449 HydrophobicContact CH2-CD2 3.81Å; W314-F449 AromaticContact CH2-CE2 3.55Å; W314-F449 HydrophobicContact CH2-CE2 3.55Å; W314-F449 HydrophobicContact CZ2-CE2 4.49Å; W314-F449 HydrophobicContact CZ3-CD2 4.42Å; W314-F449 AromaticContact CZ3-CE2 3.94Å; W314-F449 HydrophobicContact CZ3-CE2 3.94Å
315A88.4Confident86.2Confident28 Ų2868 Ų6823%0.23137%0.369CS..G310 helixtrans-71.9-23.1-170.900000115.3R311 E317 D318 T336R311-A315 PolarHBondContact O-N 2.76Å; A315-E317 PolarHBondContact O-N 3.45Å; A315-D318 WeakPolarHBondContact CA-OD2 3.43Å; A315-D318 PolarHBondContact O-N 3.3Å; A315-T336 HydrophobicContact CB-CG2 3.58Å
316A84.1Confident84.8Confident85 Ų8573.3 Ų73.370%0.70240%0.396SS*.G310 helixtrans-59.4-27.2-162.700000113.9W314W314-A316 VanDerWaalsContact C-N 3.34Å; W314-A316 PolarHBondContact O-N 3.12Å
317E87.9Confident83.9Confident86 Ų8668.8 Ų68.840%0.40237%0.371SS..G310 helixtrans-1196.6-169.9-78178.7-161.300112.5A315 Q319 E320 R339A315-E317 PolarHBondContact O-N 3.45Å; E317-Q319 VanDerWaalsContact C-N 3.26Å; E317-Q319 PolarHBondContact O-N 2.82Å; E317-E320 PolarHBondContact O-N 3.33Å; E317-R339 WeakPolarHBondContact O-CD 3.15Å; E317-R339 PolarHBondContact O-NH1 2.92Å; E317-R339 IonicContact OE2-CZ 2.72Å; E317-R339 IonicContact OE2-NH1 3.61Å; E317-R339 IonicContact OE2-NH2 3.57Å
318D92.1Very high82.9Confident2 Ų267.4 Ų67.41%0.01137%0.373CS..THydrogen-bonded Turntrans-68.7-24.7-179.8-74.9-35.3000112.8A315 R334 T336 G337 C338 R339A315-D318 WeakPolarHBondContact CA-OD2 3.43Å; A315-D318 PolarHBondContact O-N 3.3Å; D318-R334 WeakPolarHBondContact O-CD 3.4Å; D318-R334 PolarHBondContact O-NH1 3.05Å; D318-T336 WeakPolarHBondContact OD2-CA 3.41Å; D318-G337 PolarHBondContact OD2-N 3.5Å; D318-C338 PolarHBondContact OD1-N 2.92Å; D318-R339 WeakPolarHBondContact OD1-CB 3.28Å; D318-R339 PolarHBondContact OD1-N 3.27Å; D318-R339 VanDerWaalsContact OD1-N 3.09Å
319Q91.1Very high82.3Confident91 Ų9160.8 Ų60.843%0.42534%0.342SS..THydrogen-bonded Turntrans-101.918.5-176.5-51-54.6-44.200112.6E317 V321 R334E317-Q319 VanDerWaalsContact C-N 3.26Å; E317-Q319 PolarHBondContact O-N 2.82Å; Q319-V321 PolarHBondContact O-N 3.06Å; Q319-R334 PolarHBondContact NE2-O 2.91Å
320E89.3Confident81.7Confident84 Ų8463.5 Ų63.539%0.39335%0.351SS..  trans-61.4134.8173.8-169.7167.3170.900110.3E317 V322 R334 R339 L357 L360E317-E320 PolarHBondContact O-N 3.33Å; E320-V322 PolarHBondContact O-N 3.06Å; E320-R334 PolarHBondContact O-NH1 2.85Å; E320-R334 PolarHBondContact O-NH2 3.31Å; E320-R339 IonicContact OE2-CZ 2.77Å; E320-R339 IonicContact OE2-NH1 2.67Å; E320-R339 PolarHBondContact OE2-NH1 3.29Å; E320-R339 IonicContact OE2-NH2 3.65Å; E320-R339 PolarHBondContact OE2-NH2 3.48Å; E320-L357 VanDerWaalsContact CD-CD2 3.48Å; E320-L357 HydrophobicContact CG-CD2 4.1Å; E320-L360 HydrophobicContact CB-CD1 4.03Å
321V87.5Confident81.1Confident105 Ų10569 Ų6964%0.63639%0.387SS*.  trans-76.9117.3-177.4179.40000108.9Q319 P324Q319-V321 PolarHBondContact O-N 3.06Å; V321-P324 HydrophobicContact CG1-CB 4.26Å
322V87.8Confident80.8Confident14 Ų1467.5 Ų67.59%0.08539%0.385CS..SBendtrans-109-10.7179.5-60.40000113.8E320 L357 L360 R361 D364E320-V322 PolarHBondContact O-N 3.06Å; V322-L357 HydrophobicContact CG1-CB 4.4Å; V322-L357 HydrophobicContact CG1-CD2 4.1Å; V322-L360 HydrophobicContact CG1-CB 3.84Å; V322-L360 HydrophobicContact CG1-CD1 4.08Å; V322-L360 HydrophobicContact CG2-CB 4.34Å; V322-R361 HydrophobicContact CB-CG 3.59Å; V322-R361 HydrophobicContact CG1-CG 4.3Å; V322-R361 HydrophobicContact CG2-CB 4.35Å; V322-R361 HydrophobicContact CG2-CG 3.47Å; V322-R361 VanDerWaalsContact CG2-CG 3.47Å; V322-D364 WeakPolarHBondContact CG2-OD2 3.31Å
323F84Confident80.8Confident28 Ų2868.9 Ų68.912%0.12340%0.396CS..  trans-13085.8170.8-59.6-66.9000108.6I329 R361 D364 I388 P389F323-I329 HydrophobicContact CD1-CD1 4.05Å; F323-I329 HydrophobicContact CD2-CB 4.49Å; F323-I329 HydrophobicContact CD2-CD1 3.63Å; F323-I329 HydrophobicContact CD2-CG2 4.15Å; F323-I329 HydrophobicContact CE1-CD1 3.97Å; F323-I329 HydrophobicContact CE2-CD1 3.55Å; F323-I329 HydrophobicContact CG-CD1 3.89Å; F323-I329 HydrophobicContact CZ-CD1 3.72Å; F323-R361 HydrophobicContact CE1-CG 4.23Å; F323-R361 HydrophobicContact CE2-CB 4.06Å; F323-R361 HydrophobicContact CE2-CG 3.97Å; F323-R361 HydrophobicContact CZ-CB 3.72Å; F323-R361 HydrophobicContact CZ-CG 3.62Å; F323-D364 HydrophobicContact CD2-CB 4.36Å; F323-D364 HydrophobicContact CE2-CB 3.98Å; F323-I388 HydrophobicContact CE1-CG2 3.65Å; F323-I388 HydrophobicContact CZ-CG2 3.38Å; F323-P389 HydrophobicContact CE1-CB 4.37Å; F323-P389 HydrophobicContact CE1-CG 4.39Å
324P71Confident81Confident106 Ų10669.5 Ų69.569%0.68840%0.398SS*.  trans-70.8-34.9-176.427.1-33.1000112.1V321V321-P324 HydrophobicContact CG1-CB 4.26Å
325D69Low81Confident114 Ų11472.2 Ų72.261%0.6142%0.418SS*.SBendtrans-83.8140.5175.5-61.1-43.2000109.1I327D325-I327 HydrophobicContact CB-CD1 4.04Å; D325-I327 HydrophobicContact CB-CG1 3.84Å; D325-I327 WeakPolarHBondContact O-CG1 3.49Å; D325-I327 PolarHBondContact O-N 3.37Å
326N58.4Low81.2Confident146 Ų14674.1 Ų74.178%0.78143%0.427SS*.  trans-73.662.9-175.8-144.58.2000110.5G328N326-G328 PolarHBondContact O-N 3.26Å
327I68.2Low81.5Confident47 Ų4770.3 Ų70.324%0.24140%0.396CS..SBendtrans-77.133.7-172.5-53.7156000110.8D325 I329 P389 V426D325-I327 HydrophobicContact CB-CD1 4.04Å; D325-I327 HydrophobicContact CB-CG1 3.84Å; D325-I327 WeakPolarHBondContact O-CG1 3.49Å; D325-I327 PolarHBondContact O-N 3.37Å; I327-I329 VanDerWaalsContact C-N 3.27Å; I327-I329 PolarHBondContact O-N 3.13Å; I327-P389 HydrophobicContact CB-CG 4.39Å; I327-P389 HydrophobicContact CD1-CB 4.05Å; I327-P389 HydrophobicContact CD1-CG 4.39Å; I327-P389 HydrophobicContact CG2-CB 4.21Å; I327-P389 HydrophobicContact CG2-CG 3.6Å; I327-V426 HydrophobicContact CG2-CG2 3.69Å
328G68.8Low81.8Confident38 Ų3867.3 Ų67.339%0.39238%0.384SS..SBendtrans68.722.2-178.400000114.6N326 R370N326-G328 PolarHBondContact O-N 3.26Å; G328-R370 PolarHBondContact O-NH1 2.77Å; G328-R370 VanDerWaalsContact O-NH1 3.07Å; G328-R370 PolarHBondContact O-NH2 2.81Å
329I74Confident81.9Confident13 Ų1368.4 Ų68.47%0.06739%0.388CS..  trans-107.7119.2167.3-60.5176000106.2F323 I327 D364 M365 N368F323-I329 HydrophobicContact CD1-CD1 4.05Å; F323-I329 HydrophobicContact CD2-CB 4.49Å; F323-I329 HydrophobicContact CD2-CD1 3.63Å; F323-I329 HydrophobicContact CD2-CG2 4.15Å; F323-I329 HydrophobicContact CE1-CD1 3.97Å; F323-I329 HydrophobicContact CE2-CD1 3.55Å; F323-I329 HydrophobicContact CG-CD1 3.89Å; F323-I329 HydrophobicContact CZ-CD1 3.72Å; I327-I329 VanDerWaalsContact C-N 3.27Å; I327-I329 PolarHBondContact O-N 3.13Å; I329-D364 HydrophobicContact CG2-CB 4.25Å; I329-M365 HydrophobicContact CD1-SD 3.73Å; I329-M365 HydrophobicContact CG1-SD 4.26Å; I329-N368 WeakPolarHBondContact CG2-ND2 3.38Å
330M72.6Confident82.2Confident139 Ų13964.2 Ų64.269%0.68537%0.369SS*.  trans-75.9140.2-179.6-58-153.386.900109.5V332 N368M330-V332 PolarHBondContact O-N 2.9Å; M330-N368 PolarHBondContact N-OD1 3.02Å; M330-N368 PolarHBondContact O-ND2 2.98Å
331P74.7Confident82.5Confident121 Ų12161.8 Ų61.879%0.78636%0.358SS*.  trans-55.7125.2169.3-23.332.9000110.1
332V80.3Confident83Confident39 Ų3956.8 Ų56.824%0.23633%0.327CS..  trans-121.6142.9-179.3-74.70000109.7M330 R334 D364 L367M330-V332 PolarHBondContact O-N 2.9Å; V332-R334 HydrophobicContact CG2-CG 4.46Å; V332-R334 PolarHBondContact O-N 2.97Å; V332-D364 VanDerWaalsContact CG2-OD1 3.24Å; V332-D364 WeakPolarHBondContact CG2-OD1 3.31Å; V332-L367 HydrophobicContact CB-CB 4.18Å; V332-L367 HydrophobicContact CB-CD1 4.11Å; V332-L367 HydrophobicContact CG1-CB 4.14Å; V332-L367 HydrophobicContact CG2-CB 3.92Å; V332-L367 HydrophobicContact CG2-CD1 3.7Å; V332-L367 HydrophobicContact CG2-CG 4.48Å
333N88.2Confident83.5Confident141 Ų14157 Ų5775%0.75433%0.329SS*.  trans-77.3106172.3-171.521.6000108.7
334R92.4Very high84.1Confident17 Ų1755.7 Ų55.76%0.06432%0.323CS..PPolyproline II helixtrans-74.8147.1-174.9-55.4-172.8-166.6107.63.5111.8D318 Q319 E320 V332 C338 V363 D364 L367D318-R334 WeakPolarHBondContact O-CD 3.4Å; D318-R334 PolarHBondContact O-NH1 3.05Å; Q319-R334 PolarHBondContact NE2-O 2.91Å; E320-R334 PolarHBondContact O-NH1 2.85Å; E320-R334 PolarHBondContact O-NH2 3.31Å; V332-R334 HydrophobicContact CG2-CG 4.46Å; V332-R334 PolarHBondContact O-N 2.97Å; R334-C338 VanDerWaalsContact CB-SG 3.59Å; R334-V363 HydrophobicContact CB-CG1 4.32Å; R334-V363 HydrophobicContact CG-CG1 4.18Å; R334-D364 IonicContact CZ-OD1 3.23Å; R334-D364 IonicContact CZ-OD2 3.51Å; R334-D364 IonicContact NE-OD1 2.95Å; R334-D364 PolarHBondContact NE-OD1 2.88Å; R334-D364 IonicContact NE-OD2 2.75Å; R334-D364 VanDerWaalsContact NH2-CG 3.33Å; R334-D364 IonicContact NH2-OD1 3.07Å; R334-D364 PolarHBondContact NH2-OD1 3.11Å; R334-D364 IonicContact NH2-OD2 2.81Å; R334-D364 PolarHBondContact NH2-OD2 3.26Å; R334-L367 HydrophobicContact CB-CD1 4.43Å; R334-L367 HydrophobicContact CG-CD1 4.16Å
335P91.3Very high85.4Confident72 Ų7250.6 Ų50.647%0.46829%0.29SS..PPolyproline II helixtrans-59.5146.9175.2-22.932.2000112.9G337 C338P335-G337 PolarHBondContact O-N 3.33Å; P335-C338 HydrophobicContact CB-CB 4.45Å; P335-C338 WeakPolarHBondContact O-CB 3.38Å; P335-C338 PolarHBondContact O-N 3.01Å; P335-C338 PolarHBondContact O-SG 3.42Å
336T91.9Very high86.7Confident69 Ų6945.2 Ų45.242%0.42326%0.262SS..THydrogen-bonded Turntrans-63.3131.4177.1-48.50000112.2R311 A315 D318 C338R311-T336 HydrophobicContact CB-CG2 3.84Å; R311-T336 VanDerWaalsContact O-CG2 3.3Å; R311-T336 WeakPolarHBondContact O-CG2 3.33Å; A315-T336 HydrophobicContact CB-CG2 3.58Å; D318-T336 WeakPolarHBondContact OD2-CA 3.41Å; T336-C338 VanDerWaalsContact C-N 3.31Å
337G91.9Very high88.5Confident5 Ų538.7 Ų38.75%0.05223%0.228CC..THydrogen-bonded Turntrans78.58.9-177.500000114.5D318 P335 R339 A340D318-G337 PolarHBondContact OD2-N 3.5Å; P335-G337 PolarHBondContact O-N 3.33Å; G337-R339 PolarHBondContact O-N 3.29Å; G337-A340 VanDerWaalsContact O-CB 3.26Å; G337-A340 WeakPolarHBondContact O-CB 3.46Å; G337-A340 PolarHBondContact O-N 3.06Å
338C93.4Very high89.7Confident23 Ų2341.2 Ų41.216%0.15525%0.246CC..THydrogen-bonded Turntrans-64.4-20.6-177.369.10000113.3D318 R334 P335 T336 A340 L359 V363D318-C338 PolarHBondContact OD1-N 2.92Å; R334-C338 VanDerWaalsContact CB-SG 3.59Å; P335-C338 HydrophobicContact CB-CB 4.45Å; P335-C338 WeakPolarHBondContact O-CB 3.38Å; P335-C338 PolarHBondContact O-N 3.01Å; P335-C338 PolarHBondContact O-SG 3.42Å; T336-C338 VanDerWaalsContact C-N 3.31Å; C338-A340 VanDerWaalsContact C-N 3.31Å; C338-L359 VanDerWaalsContact O-CD2 3.3Å; C338-L359 WeakPolarHBondContact O-CD2 3.5Å; C338-V363 HydrophobicContact CB-CG1 4.32Å; C338-V363 HydrophobicContact CB-CG2 4.23Å
339R94.9Very high90.7Very high24 Ų2443.2 Ų43.29%0.09127%0.266CS..THydrogen-bonded Turntrans-79.4-8.4174.4-163.8176.3175.9156.3-4.5113.8E317 D318 E320 G337 H341 L360E317-R339 WeakPolarHBondContact O-CD 3.15Å; E317-R339 PolarHBondContact O-NH1 2.92Å; E317-R339 IonicContact OE2-CZ 2.72Å; E317-R339 IonicContact OE2-NH1 3.61Å; E317-R339 IonicContact OE2-NH2 3.57Å; D318-R339 WeakPolarHBondContact OD1-CB 3.28Å; D318-R339 PolarHBondContact OD1-N 3.27Å; D318-R339 VanDerWaalsContact OD1-N 3.09Å; E320-R339 IonicContact OE2-CZ 2.77Å; E320-R339 IonicContact OE2-NH1 2.67Å; E320-R339 PolarHBondContact OE2-NH1 3.29Å; E320-R339 IonicContact OE2-NH2 3.65Å; E320-R339 PolarHBondContact OE2-NH2 3.48Å; G337-R339 PolarHBondContact O-N 3.29Å; R339-H341 PolarHBondContact O-N 3.44Å; R339-H341 PolarHBondContact O-ND1 3.24Å; R339-L360 HydrophobicContact CB-CD2 3.93Å; R339-L360 HydrophobicContact CB-CG 4.42Å; R339-L360 HydrophobicContact CG-CD1 4.46Å; R339-L360 HydrophobicContact CG-CD2 4.21Å; R339-L360 HydrophobicContact CG-CG 4.15Å
340A95.9Very high91.7Very high3 Ų344.1 Ų44.13%0.02527%0.272CS..  trans-63.5124.5-175.600000111.6I253 V302 L304 G337 C338I253-A340 HydrophobicContact CG2-CB 4.11Å; V302-A340 HydrophobicContact CB-CB 3.93Å; V302-A340 WeakPolarHBondContact CB-O 3.36Å; V302-A340 HydrophobicContact CG1-CB 4.29Å; V302-A340 PolarHBondContact N-O 3.05Å; L304-A340 HydrophobicContact CD2-CB 3.61Å; L304-A340 HydrophobicContact CG-CB 4.04Å; G337-A340 VanDerWaalsContact O-CB 3.26Å; G337-A340 WeakPolarHBondContact O-CB 3.46Å; G337-A340 PolarHBondContact O-N 3.06Å; C338-A340 VanDerWaalsContact C-N 3.31Å
341H97.1Very high92.6Very high33 Ų3340.3 Ų40.315%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-151.3169.6-175.865.1-81.7000112.1A300 R339 T343 T355 G356 L359A300-H341 CarbonylContact O-C 3.6Å; A300-H341 WeakPolarHBondContact O-CA 3.32Å; A300-H341 WeakPolarHBondContact O-CB 3.37Å; R339-H341 PolarHBondContact O-N 3.44Å; R339-H341 PolarHBondContact O-ND1 3.24Å; H341-T343 PolarHBondContact CD2-OG1 2.92Å; H341-T343 PolarHBondContact NE2-OG1 2.87Å; H341-T355 HydrophobicContact CB-CG2 4.47Å; H341-T355 WeakPolarHBondContact CD2-CG2 3.37Å; H341-G356 WeakPolarHBondContact CE1-CA 3.48Å; H341-G356 PolarHBondContact CE1-N 3.44Å; H341-G356 VanDerWaalsContact CE1-N 3.32Å; H341-L359 HydrophobicContact CB-CD2 4Å
342V97.1Very high93.5Very high0 Ų037.3 Ų37.30%024%0.239CC..EExtended strand (participates in β ladder)trans-119.9120164.4-176.20000108.1W147 L190 P251 I253 G299 A300 V302W147-V342 HydrophobicContact CH2-CG2 3.64Å; W147-V342 HydrophobicContact CZ3-CG2 3.49Å; W147-V342 VanDerWaalsContact CZ3-CG2 3.49Å; L190-V342 HydrophobicContact CD2-CG1 4.42Å; P251-V342 HydrophobicContact CB-CG1 3.9Å; I253-V342 HydrophobicContact CD1-CG2 4.34Å; I253-V342 HydrophobicContact CG1-CG2 3.64Å; G299-V342 CarbonylContact C-O 3.6Å; G299-V342 VanDerWaalsContact CA-O 3.22Å; G299-V342 WeakPolarHBondContact CA-O 3.34Å; A300-V342 HydrophobicContact CB-CB 4.24Å; A300-V342 PolarHBondContact N-O 3.07Å; A300-V342 PolarHBondContact O-N 3.06Å; V302-V342 HydrophobicContact CG2-CG2 4.11Å
343T97.7Very high94.1Very high19 Ų1938 Ų3812%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-77.1122.2173.4-60.70000109.6A233 T234 H341 L346 P352 T355A233-T343 HydrophobicContact CB-CG2 3.86Å; T234-T343 WeakPolarHBondContact CG2-O 3.16Å; H341-T343 PolarHBondContact CD2-OG1 2.92Å; H341-T343 PolarHBondContact NE2-OG1 2.87Å; T343-L346 HydrophobicContact CG2-CD1 4.09Å; T343-L346 HydrophobicContact CG2-CD2 3.66Å; T343-L346 HydrophobicContact CG2-CG 3.77Å; T343-P352 HydrophobicContact CG2-CB 4.48Å; T343-P352 PolarHBondContact OG1-O 2.61Å; T343-T355 WeakPolarHBondContact CG2-OG1 3.13Å; T343-T355 VanDerWaalsContact OG1-CB 3.23Å; T343-T355 WeakPolarHBondContact OG1-CB 3.38Å; T343-T355 PolarHBondContact OG1-OG1 3.37Å
344M97.4Very high94.4Very high0 Ų033.6 Ų33.60%022%0.224CC..EExtended strand (participates in β ladder)trans-105.4-42-178.5-68.3178.7164.200111.9L190 W193 A233 F238 L291 I298 A300L190-M344 HydrophobicContact CD1-CE 3.72Å; L190-M344 HydrophobicContact CD2-CE 4.3Å; L190-M344 HydrophobicContact CG-CE 3.68Å; W193-M344 HydrophobicContact CE3-CE 4.36Å; W193-M344 HydrophobicContact CZ3-CE 4.1Å; A233-M344 WeakPolarHBondContact CB-O 3.32Å; A233-M344 PolarHBondContact N-O 2.94Å; F238-M344 HydrophobicContact CB-CB 4.45Å; F238-M344 WeakPolarHBondContact CB-O 3.26Å; F238-M344 HydrophobicContact CD1-CB 3.8Å; F238-M344 HydrophobicContact CD2-CB 3.87Å; F238-M344 HydrophobicContact CD2-CG 4.26Å; F238-M344 HydrophobicContact CD2-SD 4.15Å; F238-M344 HydrophobicContact CE1-CB 3.91Å; F238-M344 HydrophobicContact CE2-CB 3.98Å; F238-M344 HydrophobicContact CE2-CG 4.25Å; F238-M344 HydrophobicContact CE2-SD 3.63Å; F238-M344 HydrophobicContact CG-CB 3.77Å; F238-M344 HydrophobicContact CZ-CB 4.01Å; F238-M344 HydrophobicContact CZ-SD 4.02Å; L291-M344 HydrophobicContact CD1-SD 3.75Å; I298-M344 HydrophobicContact CG2-CB 4.35Å; I298-M344 PolarHBondContact O-N 2.71Å; A300-M344 HydrophobicContact CB-CE 3.74Å; A300-M344 HydrophobicContact CB-SD 4.34Å
345A97.8Very high94.6Very high0 Ų033 Ų330%022%0.223CC..EExtended strand (participates in β ladder)trans-142.9156.6177.400000112.1W230 E231 F238 L242 I298W230-A345 HydrophobicContact CB-CB 3.94Å; W230-A345 HydrophobicContact CG-CB 4.4Å; E231-A345 CarbonylContact O-C 2.96Å; E231-A345 WeakPolarHBondContact O-CA 3.38Å; E231-A345 WeakPolarHBondContact O-CB 3.47Å; F238-A345 HydrophobicContact CD1-CB 3.79Å; F238-A345 HydrophobicContact CE1-CB 4.07Å; L242-A345 HydrophobicContact CD1-CB 3.84Å; I298-A345 HydrophobicContact CB-CB 3.87Å; I298-A345 HydrophobicContact CD1-CB 3.9Å; I298-A345 HydrophobicContact CG1-CB 4.12Å; I298-A345 PolarHBondContact N-O 2.9Å; I298-A345 PolarHBondContact O-N 3.23Å
346L97.1Very high94.8Very high1 Ų129.6 Ų29.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-139.2140.8-178.6-65.8168.6000109.9W230 E231 A233 R296 T297 T343 V350 P352W230-L346 CarbonylContact C-O 3.59Å; W230-L346 WeakPolarHBondContact CA-O 3.31Å; E231-L346 PolarHBondContact N-O 2.71Å; E231-L346 PolarHBondContact O-N 3.06Å; A233-L346 HydrophobicContact CB-CD1 3.93Å; A233-L346 HydrophobicContact CB-CG 4.05Å; R296-L346 CarbonylContact O-C 3.56Å; R296-L346 WeakPolarHBondContact O-CA 3.15Å; T297-L346 HydrophobicContact CG2-CD2 3.74Å; T343-L346 HydrophobicContact CG2-CD1 4.09Å; T343-L346 HydrophobicContact CG2-CD2 3.66Å; T343-L346 HydrophobicContact CG2-CG 3.77Å; L346-V350 HydrophobicContact CB-CB 4.5Å; L346-V350 HydrophobicContact CD2-CG1 4.09Å; L346-P352 HydrophobicContact CD1-CB 4.12Å; L346-P352 HydrophobicContact CD1-CG 3.7Å
347A95.3Very high94.9Very high9 Ų927.5 Ų27.57%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-67.7155.7166.300000110.2R296 G349 V350R296-A347 PolarHBondContact O-N 2.9Å; A347-G349 PolarHBondContact O-N 3.41Å; A347-V350 HydrophobicContact CB-CG2 3.87Å; A347-V350 VanDerWaalsContact O-CB 3.3Å; A347-V350 WeakPolarHBondContact O-CB 3.29Å; A347-V350 WeakPolarHBondContact O-CG2 3.39Å; A347-V350 PolarHBondContact O-N 3.36Å
348T93Very high95Very high100 Ų10027.3 Ų27.361%0.61318%0.184SC*.THydrogen-bonded Turntrans-52.3126.2-178.5-60.80000111.8E231 V350E231-T348 WeakPolarHBondContact OE1-CB 3.41Å; E231-T348 PolarHBondContact OE1-OG1 3.31Å; T348-V350 VanDerWaalsContact C-N 3.28Å; T348-V350 PolarHBondContact O-N 3.28Å
349G91.5Very high95.2Very high79 Ų7926.5 Ų26.581%0.81418%0.178SC*.THydrogen-bonded Turntrans80.1-1.5178.600000115.6A347A347-G349 PolarHBondContact O-N 3.41Å
350V93.8Very high95.2Very high32 Ų3225.3 Ų25.319%0.19417%0.174CC..  trans-79.8135.5174.5-178.90000110.2R296 T297 L346 A347 T348 E354R296-V350 HydrophobicContact CB-CG1 4.16Å; R296-V350 HydrophobicContact CB-CG2 4.12Å; T297-V350 HydrophobicContact CG2-CG1 3.92Å; L346-V350 HydrophobicContact CB-CB 4.5Å; L346-V350 HydrophobicContact CD2-CG1 4.09Å; A347-V350 HydrophobicContact CB-CG2 3.87Å; A347-V350 VanDerWaalsContact O-CB 3.3Å; A347-V350 WeakPolarHBondContact O-CB 3.29Å; A347-V350 WeakPolarHBondContact O-CG2 3.39Å; A347-V350 PolarHBondContact O-N 3.36Å; T348-V350 VanDerWaalsContact C-N 3.28Å; T348-V350 PolarHBondContact O-N 3.28Å; V350-E354 HydrophobicContact CG1-CB 3.8Å; V350-E354 HydrophobicContact CG1-CG 3.83Å
351S93Very high95.1Very high60 Ų6025.2 Ų25.242%0.4217%0.173SC..  trans-77.8142.6176.5173.20000111.4A353 E354S351-A353 PolarHBondContact O-N 3.12Å; S351-A353 PolarHBondContact OG-N 2.83Å; S351-E354 VanDerWaalsContact O-CB 3.32Å; S351-E354 WeakPolarHBondContact O-CB 3.29Å; S351-E354 WeakPolarHBondContact O-CG 3.39Å; S351-E354 PolarHBondContact O-N 2.87Å
352P92.8Very high95Very high57 Ų5723.6 Ų23.637%0.3717%0.166SC..THydrogen-bonded Turntrans-54.4-26.1174.1-23.829.6000115.1T343 L346 E354 T355T343-P352 HydrophobicContact CG2-CB 4.48Å; T343-P352 PolarHBondContact OG1-O 2.61Å; L346-P352 HydrophobicContact CD1-CB 4.12Å; L346-P352 HydrophobicContact CD1-CG 3.7Å; P352-E354 PolarHBondContact O-N 2.83Å; P352-T355 PolarHBondContact O-N 2.98Å; P352-T355 PolarHBondContact O-OG1 3.3Å
353A92.2Very high94.9Very high54 Ų5424 Ų2445%0.44617%0.168SC..THydrogen-bonded Turntrans-67.6-22.7179.500000113.2S351 T355 G356S351-A353 PolarHBondContact O-N 3.12Å; S351-A353 PolarHBondContact OG-N 2.83Å; A353-T355 PolarHBondContact O-N 2.98Å; A353-G356 PolarHBondContact O-N 3.45Å
354E94.5Very high94.6Very high48 Ų4823.5 Ų23.522%0.22417%0.165CC..Hα-helixtrans-64.5-28.6-179.8-66.6-61.1132.800112.3R296 T297 V350 S351 P352 G356 L357 D358R296-E354 IonicContact CZ-OE2 2.72Å; R296-E354 IonicContact NH1-OE2 3.8Å; R296-E354 PolarHBondContact NH1-OE2 3.49Å; R296-E354 IonicContact NH2-OE2 3.75Å; R296-E354 PolarHBondContact NH2-OE2 2.81Å; T297-E354 HydrophobicContact CG2-CB 3.94Å; V350-E354 HydrophobicContact CG1-CB 3.8Å; V350-E354 HydrophobicContact CG1-CG 3.83Å; S351-E354 VanDerWaalsContact O-CB 3.32Å; S351-E354 WeakPolarHBondContact O-CB 3.29Å; S351-E354 WeakPolarHBondContact O-CG 3.39Å; S351-E354 PolarHBondContact O-N 2.87Å; P352-E354 PolarHBondContact O-N 2.83Å; E354-G356 PolarHBondContact O-N 3.21Å; E354-L357 WeakPolarHBondContact O-CA 3.46Å; E354-L357 WeakPolarHBondContact O-CB 3.23Å; E354-L357 PolarHBondContact O-N 3.38Å; E354-D358 PolarHBondContact O-N 3.48Å
355T96.5Very high94.4Very high5 Ų524.1 Ų24.13%0.03117%0.168CC..Hα-helixtrans-59.5-37.5177.5-49.40000111.3T297 H341 T343 P352 A353 L359T297-T355 WeakPolarHBondContact CB-OG1 3.38Å; H341-T355 HydrophobicContact CB-CG2 4.47Å; H341-T355 WeakPolarHBondContact CD2-CG2 3.37Å; T343-T355 WeakPolarHBondContact CG2-OG1 3.13Å; T343-T355 VanDerWaalsContact OG1-CB 3.23Å; T343-T355 WeakPolarHBondContact OG1-CB 3.38Å; T343-T355 PolarHBondContact OG1-OG1 3.37Å; P352-T355 PolarHBondContact O-N 2.98Å; P352-T355 PolarHBondContact O-OG1 3.3Å; A353-T355 PolarHBondContact O-N 2.98Å; T355-L359 WeakPolarHBondContact O-CB 3.27Å; T355-L359 PolarHBondContact O-N 3.25Å
356G95.7Very high94.3Very high0 Ų026.5 Ų26.50%018%0.179CC..Hα-helixtrans-66-39.5174.600000112.3H341 A353 E354 L359 L360H341-G356 WeakPolarHBondContact CE1-CA 3.48Å; H341-G356 PolarHBondContact CE1-N 3.44Å; H341-G356 VanDerWaalsContact CE1-N 3.32Å; A353-G356 PolarHBondContact O-N 3.45Å; E354-G356 PolarHBondContact O-N 3.21Å; G356-L359 PolarHBondContact O-N 3.01Å; G356-L360 WeakPolarHBondContact O-CG 3.45Å; G356-L360 PolarHBondContact O-N 3.42Å
357L94.4Very high94.1Very high25 Ų2529.9 Ų29.913%0.13120%0.196CC..Hα-helixtrans-68.5-42.1177.7-60179.1000111.7E320 V322 E354 L359 L360 R361E320-L357 VanDerWaalsContact CD-CD2 3.48Å; E320-L357 HydrophobicContact CG-CD2 4.1Å; V322-L357 HydrophobicContact CG1-CB 4.4Å; V322-L357 HydrophobicContact CG1-CD2 4.1Å; E354-L357 WeakPolarHBondContact O-CA 3.46Å; E354-L357 WeakPolarHBondContact O-CB 3.23Å; E354-L357 PolarHBondContact O-N 3.38Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 2.96Å; L357-L360 HydrophobicContact CD2-CD1 4.46Å; L357-L360 PolarHBondContact O-N 3.27Å; L357-R361 WeakPolarHBondContact O-CG 3.45Å; L357-R361 PolarHBondContact O-N 3.37Å
358D94.8Very high93.9Very high1 Ų130.9 Ų30.91%0.00520%0.2CC..Hα-helixtrans-58.2-42172.9-81.5-19.3000111.3T294 R296 T297 E354 R361 V362T294-D358 HydrophobicContact CG2-CB 3.85Å; T294-D358 WeakPolarHBondContact CG2-OD2 3.49Å; T294-D358 PolarHBondContact OG1-OD2 3.03Å; R296-D358 IonicContact CZ-OD1 3.06Å; R296-D358 IonicContact NE-OD1 3.53Å; R296-D358 IonicContact NE-OD2 2.94Å; R296-D358 IonicContact NH2-OD1 3.91Å; R296-D358 PolarHBondContact NH2-OD1 3.01Å; R296-D358 IonicContact NH2-OD2 3.77Å; T297-D358 PolarHBondContact OG1-OD2 2.86Å; E354-D358 PolarHBondContact O-N 3.48Å; D358-R361 WeakPolarHBondContact O-CB 3.34Å; D358-R361 PolarHBondContact O-N 3.35Å; D358-R361 IonicContact OD1-NH1 3.39Å; D358-R361 PolarHBondContact OD1-NH1 3.33Å; D358-V362 PolarHBondContact O-N 3.49Å; D358-V362 VanDerWaalsContact O-N 3.13Å
359L96Very high93.8Very high6 Ų633.1 Ų33.13%0.03121%0.209CC..Hα-helixtrans-64.9-41.4175.6-178.156.1000112.5V292 R301 C338 H341 T355 G356 L357 R361 V362 V363V292-L359 HydrophobicContact CG2-CD1 4.08Å; R301-L359 HydrophobicContact CG-CD1 3.88Å; C338-L359 VanDerWaalsContact O-CD2 3.3Å; C338-L359 WeakPolarHBondContact O-CD2 3.5Å; H341-L359 HydrophobicContact CB-CD2 4Å; T355-L359 WeakPolarHBondContact O-CB 3.27Å; T355-L359 PolarHBondContact O-N 3.25Å; G356-L359 PolarHBondContact O-N 3.01Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 2.96Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.33Å; L359-V362 WeakPolarHBondContact O-CB 3.5Å; L359-V362 PolarHBondContact O-N 3.3Å; L359-V363 HydrophobicContact CD1-CG2 4.43Å; L359-V363 WeakPolarHBondContact O-CG2 3.46Å; L359-V363 PolarHBondContact O-N 2.89Å
360L94.8Very high93.9Very high0 Ų035.1 Ų35.10%019%0.192CC..Hα-helixtrans-60.6-36.8175.6-69.6-177.3000112.1E320 V322 R339 G356 L357 V363 D364E320-L360 HydrophobicContact CB-CD1 4.03Å; V322-L360 HydrophobicContact CG1-CB 3.84Å; V322-L360 HydrophobicContact CG1-CD1 4.08Å; V322-L360 HydrophobicContact CG2-CB 4.34Å; R339-L360 HydrophobicContact CB-CD2 3.93Å; R339-L360 HydrophobicContact CB-CG 4.42Å; R339-L360 HydrophobicContact CG-CD1 4.46Å; R339-L360 HydrophobicContact CG-CD2 4.21Å; R339-L360 HydrophobicContact CG-CG 4.15Å; G356-L360 WeakPolarHBondContact O-CG 3.45Å; G356-L360 PolarHBondContact O-N 3.42Å; L357-L360 HydrophobicContact CD2-CD1 4.46Å; L357-L360 PolarHBondContact O-N 3.27Å; L360-V363 PolarHBondContact O-N 3.49Å; L360-D364 PolarHBondContact O-N 3.3Å
361R93.6Very high93.8Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-64.7-41.9175.8-68.1168.464.7-148.22.8111.8V322 F323 L357 D358 L359 D364 M365 P389 E432V322-R361 HydrophobicContact CB-CG 3.59Å; V322-R361 HydrophobicContact CG1-CG 4.3Å; V322-R361 HydrophobicContact CG2-CB 4.35Å; V322-R361 HydrophobicContact CG2-CG 3.47Å; V322-R361 VanDerWaalsContact CG2-CG 3.47Å; F323-R361 HydrophobicContact CE1-CG 4.23Å; F323-R361 HydrophobicContact CE2-CB 4.06Å; F323-R361 HydrophobicContact CE2-CG 3.97Å; F323-R361 HydrophobicContact CZ-CB 3.72Å; F323-R361 HydrophobicContact CZ-CG 3.62Å; L357-R361 WeakPolarHBondContact O-CG 3.45Å; L357-R361 PolarHBondContact O-N 3.37Å; D358-R361 WeakPolarHBondContact O-CB 3.34Å; D358-R361 PolarHBondContact O-N 3.35Å; D358-R361 IonicContact OD1-NH1 3.39Å; D358-R361 PolarHBondContact OD1-NH1 3.33Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.33Å; R361-D364 PolarHBondContact O-N 2.85Å; R361-M365 WeakPolarHBondContact O-CG 3.43Å; R361-M365 PolarHBondContact O-N 3.5Å; R361-P389 PolarHBondContact NH2-O 3.01Å; R361-E432 IonicContact CZ-OE1 3.7Å; R361-E432 IonicContact NH1-OE1 2.83Å; R361-E432 PolarHBondContact NH1-OE1 3.39Å; R361-E432 IonicContact NH2-OE1 3.7Å; R361-E432 PolarHBondContact NH2-OE1 3.04Å
362V95.1Very high93.9Very high0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-61.5-45.4173172.80000110.7V292 D358 L359 D364 M365 E366 L386 I434 V436V292-V362 HydrophobicContact CG1-CG2 4.02Å; D358-V362 PolarHBondContact O-N 3.49Å; D358-V362 VanDerWaalsContact O-N 3.13Å; L359-V362 WeakPolarHBondContact O-CB 3.5Å; L359-V362 PolarHBondContact O-N 3.3Å; V362-D364 PolarHBondContact O-N 3.36Å; V362-M365 PolarHBondContact O-N 3.36Å; V362-E366 HydrophobicContact CG1-CG 4.42Å; V362-E366 WeakPolarHBondContact O-CG 3.1Å; V362-E366 PolarHBondContact O-N 3.22Å; V362-L386 HydrophobicContact CG1-CD2 4.25Å; V362-I434 HydrophobicContact CG2-CD1 4.28Å; V362-I434 HydrophobicContact CG2-CG2 3.89Å; V362-V436 HydrophobicContact CG1-CG2 3.78Å; V362-V436 HydrophobicContact CG2-CG2 4.01Å
363V95.1Very high94Very high8 Ų836.7 Ų36.75%0.04820%0.201CC..Hα-helixtrans-61.9-41.9178.9170.30000111.5R334 C338 L359 L360 M365 E366 L367R334-V363 HydrophobicContact CB-CG1 4.32Å; R334-V363 HydrophobicContact CG-CG1 4.18Å; C338-V363 HydrophobicContact CB-CG1 4.32Å; C338-V363 HydrophobicContact CB-CG2 4.23Å; L359-V363 HydrophobicContact CD1-CG2 4.43Å; L359-V363 WeakPolarHBondContact O-CG2 3.46Å; L359-V363 PolarHBondContact O-N 2.89Å; L360-V363 PolarHBondContact O-N 3.49Å; V363-M365 VanDerWaalsContact C-N 3.32Å; V363-M365 PolarHBondContact O-N 3.41Å; V363-E366 PolarHBondContact O-N 2.8Å; V363-L367 HydrophobicContact CG1-CD1 3.71Å; V363-L367 HydrophobicContact CG1-CG 4.23Å; V363-L367 WeakPolarHBondContact O-CB 3.34Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.1Å; V363-L367 PolarHBondContact O-N 3.49Å
364D93.2Very high94.2Very high9 Ų939.4 Ų39.45%0.04820%0.204CC..Hα-helixtrans-60.3-42.8176.1-81.8-10.4000112.2V322 F323 I329 V332 R334 L360 R361 V362 L367 N368V322-D364 WeakPolarHBondContact CG2-OD2 3.31Å; F323-D364 HydrophobicContact CD2-CB 4.36Å; F323-D364 HydrophobicContact CE2-CB 3.98Å; I329-D364 HydrophobicContact CG2-CB 4.25Å; V332-D364 VanDerWaalsContact CG2-OD1 3.24Å; V332-D364 WeakPolarHBondContact CG2-OD1 3.31Å; R334-D364 IonicContact CZ-OD1 3.23Å; R334-D364 IonicContact CZ-OD2 3.51Å; R334-D364 IonicContact NE-OD1 2.95Å; R334-D364 PolarHBondContact NE-OD1 2.88Å; R334-D364 IonicContact NE-OD2 2.75Å; R334-D364 VanDerWaalsContact NH2-CG 3.33Å; R334-D364 IonicContact NH2-OD1 3.07Å; R334-D364 PolarHBondContact NH2-OD1 3.11Å; R334-D364 IonicContact NH2-OD2 2.81Å; R334-D364 PolarHBondContact NH2-OD2 3.26Å; L360-D364 PolarHBondContact O-N 3.3Å; R361-D364 PolarHBondContact O-N 2.85Å; V362-D364 PolarHBondContact O-N 3.36Å; D364-L367 PolarHBondContact O-N 3.31Å; D364-N368 WeakPolarHBondContact O-CB 3.11Å; D364-N368 PolarHBondContact O-N 3.16Å; D364-N368 PolarHBondContact O-ND2 3.23Å
365M93Very high94.3Very high13 Ų1339.1 Ų39.16%0.06421%0.205CC..Hα-helixtrans-64.7-43.6177-69.7-63.4-73.800111.5I329 R361 V362 V363 L367 N368 N369 R370 L386 I388I329-M365 HydrophobicContact CD1-SD 3.73Å; I329-M365 HydrophobicContact CG1-SD 4.26Å; R361-M365 WeakPolarHBondContact O-CG 3.43Å; R361-M365 PolarHBondContact O-N 3.5Å; V362-M365 PolarHBondContact O-N 3.36Å; V363-M365 VanDerWaalsContact C-N 3.32Å; V363-M365 PolarHBondContact O-N 3.41Å; M365-L367 PolarHBondContact O-N 2.87Å; M365-N368 PolarHBondContact O-N 3.21Å; M365-N369 PolarHBondContact O-N 3.47Å; M365-R370 CarbonylContact C-O 3.07Å; M365-R370 WeakPolarHBondContact CB-O 3.45Å; M365-R370 HydrophobicContact CE-CB 3.73Å; M365-R370 CarbonylContact O-C 3.59Å; M365-R370 VanDerWaalsContact O-C 3.29Å; M365-R370 WeakPolarHBondContact O-CA 3.39Å; M365-R370 PolarHBondContact O-N 2.84Å; M365-L386 HydrophobicContact CB-CD2 3.83Å; M365-L386 HydrophobicContact CG-CD2 4.35Å; M365-I388 HydrophobicContact CE-CG1 4.31Å; M365-I388 HydrophobicContact CG-CD1 3.63Å; M365-I388 HydrophobicContact CG-CG1 3.93Å; M365-I388 HydrophobicContact SD-CG1 4.5Å
366E94.1Very high94.4Very high50 Ų5039.8 Ų39.823%0.23421%0.211CC..Hα-helixtrans-59.7-45.5175.2-71.8173.9164.500111.5R301 V362 V363 N368 N369 R384R301-E366 IonicContact CZ-OE1 2.66Å; R301-E366 IonicContact CZ-OE2 3.36Å; R301-E366 IonicContact NH1-OE1 2.83Å; R301-E366 PolarHBondContact NH1-OE1 3.35Å; R301-E366 IonicContact NH1-OE2 3.03Å; R301-E366 IonicContact NH2-OE1 3.66Å; R301-E366 PolarHBondContact NH2-OE1 3.12Å; R301-E366 IonicContact NH2-OE2 2.8Å; R301-E366 PolarHBondContact NH2-OE2 3.22Å; V362-E366 HydrophobicContact CG1-CG 4.42Å; V362-E366 WeakPolarHBondContact O-CG 3.1Å; V362-E366 PolarHBondContact O-N 3.22Å; V363-E366 PolarHBondContact O-N 2.8Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 PolarHBondContact O-N 2.57Å; E366-N369 PolarHBondContact O-N 2.92Å; E366-R384 IonicContact OE1-CZ 3.98Å; E366-R384 IonicContact OE1-NH1 3.03Å; E366-R384 IonicContact OE1-NH2 3.31Å; E366-R384 PolarHBondContact OE1-NH2 3.2Å
367L93.4Very high94.4Very high71 Ų7146.1 Ų46.137%0.37224%0.244SC..Hα-helixtrans-71.4-26179.5-69.1172.8000113.6V332 R334 V363 D364 M365 N369V332-L367 HydrophobicContact CB-CB 4.18Å; V332-L367 HydrophobicContact CB-CD1 4.11Å; V332-L367 HydrophobicContact CG1-CB 4.14Å; V332-L367 HydrophobicContact CG2-CB 3.92Å; V332-L367 HydrophobicContact CG2-CD1 3.7Å; V332-L367 HydrophobicContact CG2-CG 4.48Å; R334-L367 HydrophobicContact CB-CD1 4.43Å; R334-L367 HydrophobicContact CG-CD1 4.16Å; V363-L367 HydrophobicContact CG1-CD1 3.71Å; V363-L367 HydrophobicContact CG1-CG 4.23Å; V363-L367 WeakPolarHBondContact O-CB 3.34Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.1Å; V363-L367 PolarHBondContact O-N 3.49Å; D364-L367 PolarHBondContact O-N 3.31Å; M365-L367 PolarHBondContact O-N 2.87Å; L367-N369 PolarHBondContact O-N 3.39Å
368N91.4Very high94.5Very high30 Ų3046 Ų4616%0.1624%0.243CC..THydrogen-bonded Turntrans-84.816173.2-81.2-92.8000112.8I329 M330 D364 M365 E366 R370I329-N368 WeakPolarHBondContact CG2-ND2 3.38Å; M330-N368 PolarHBondContact N-OD1 3.02Å; M330-N368 PolarHBondContact O-ND2 2.98Å; D364-N368 WeakPolarHBondContact O-CB 3.11Å; D364-N368 PolarHBondContact O-N 3.16Å; D364-N368 PolarHBondContact O-ND2 3.23Å; M365-N368 PolarHBondContact O-N 3.21Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 PolarHBondContact O-N 2.57Å; N368-R370 PolarHBondContact O-N 3.41Å
369N91.7Very high94.5Very high147 Ų14754.2 Ų54.279%0.78628%0.278SS*.THydrogen-bonded Turntrans56.931.3-177.5-58.4-57.7000113.6M365 E366 L367 P371M365-N369 PolarHBondContact O-N 3.47Å; E366-N369 PolarHBondContact O-N 2.92Å; L367-N369 PolarHBondContact O-N 3.39Å; N369-P371 WeakPolarHBondContact O-CD 3.46Å
370R92.5Very high94.5Very high122 Ų12258.3 Ų58.346%0.4630%0.301SS..  trans-120.362.4174.1-61.8-177.5-172.1160.48.8110.2G328 M365 N368 G372G328-R370 PolarHBondContact O-NH1 2.77Å; G328-R370 VanDerWaalsContact O-NH1 3.07Å; G328-R370 PolarHBondContact O-NH2 2.81Å; M365-R370 CarbonylContact C-O 3.07Å; M365-R370 WeakPolarHBondContact CB-O 3.45Å; M365-R370 HydrophobicContact CE-CB 3.73Å; M365-R370 CarbonylContact O-C 3.59Å; M365-R370 VanDerWaalsContact O-C 3.29Å; M365-R370 WeakPolarHBondContact O-CA 3.39Å; M365-R370 PolarHBondContact O-N 2.84Å; N368-R370 PolarHBondContact O-N 3.41Å; R370-G372 PolarHBondContact O-N 3.1Å
371P92.1Very high94.6Very high58 Ų5858.3 Ų58.338%0.37730%0.301SS..  trans-68.2-0.4-17731.5-37.6000113.9N369 R384 L386N369-P371 WeakPolarHBondContact O-CD 3.46Å; P371-R384 PolarHBondContact O-NH1 3.4Å; P371-L386 VanDerWaalsContact O-CD1 3.27Å; P371-L386 WeakPolarHBondContact O-CD1 3.34Å
372G94.5Very high94.8Very high27 Ų2759.8 Ų59.828%0.27831%0.311SS..  trans82.8171.1-17500000113R370 R385R370-G372 PolarHBondContact O-N 3.1Å; G372-R385 CarbonylContact C-O 3.54Å; G372-R385 WeakPolarHBondContact CA-O 3.33Å
373D95.9Very high95Very high97 Ų9759.8 Ų59.852%0.51931%0.311SS..EExtended strand (participates in β ladder)trans-86.7142.1-174.2-57.3-41.4000110.5V375 R384 R385D373-V375 PolarHBondContact O-N 3.25Å; D373-R384 CarbonylContact O-C 3.5Å; D373-R384 VanDerWaalsContact O-CA 3.25Å; D373-R384 WeakPolarHBondContact O-CA 3.07Å; D373-R385 PolarHBondContact N-O 2.89Å; D373-R385 PolarHBondContact O-N 2.95Å; D373-R385 IonicContact OD2-NH2 3.88Å
374H96.6Very high95.1Very high111 Ų11160.9 Ų60.951%0.51431%0.314SS..EExtended strand (participates in β ladder)trans-68.5128.7173.3178.4-82.1000110.6A376 I377H374-A376 PolarHBondContact CE1-N 3.45Å; H374-A376 PolarHBondContact NE2-O 3.14Å; H374-I377 WeakPolarHBondContact NE2-CG1 3.4Å
375V96.7Very high95.3Very high42 Ų4263.7 Ų63.726%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-98.7-55.9178.4-1790000110.7L204 V207 D373 V383 R385 Y435L204-V375 HydrophobicContact CD1-CG1 4.21Å; V207-V375 HydrophobicContact CG2-CG1 3.97Å; D373-V375 PolarHBondContact O-N 3.25Å; V375-V383 HydrophobicContact CB-CB 4.36Å; V375-V383 HydrophobicContact CB-CG1 4.25Å; V375-V383 PolarHBondContact N-O 3.23Å; V375-R385 HydrophobicContact CG2-CB 3.41Å; V375-R385 VanDerWaalsContact CG2-CB 3.41Å; V375-Y435 HydrophobicContact CG2-CE1 4.41Å
376A97.2Very high95.4Very high18 Ų1863.1 Ų63.115%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-158.6153.7-174.300000111.7L204 H374 I378 V383L204-A376 HydrophobicContact CD1-CB 3.72Å; L204-A376 HydrophobicContact CD2-CB 3.65Å; L204-A376 HydrophobicContact CG-CB 4.32Å; H374-A376 PolarHBondContact CE1-N 3.45Å; H374-A376 PolarHBondContact NE2-O 3.14Å; A376-I378 HydrophobicContact CB-CG2 4.29Å; A376-V383 PolarHBondContact N-O 3.14Å; A376-V383 PolarHBondContact O-N 3.4Å
377I97.5Very high95.4Very high134 Ų13465 Ų6569%0.68733%0.332SS*.EExtended strand (participates in β ladder)trans-93.6123.3162.7-58.8175.8000106.4H374H374-I377 WeakPolarHBondContact NE2-CG1 3.4Å
378I95.9Very high95.3Very high22 Ų2261.7 Ų61.711%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-117.2179.8174.968174.1000109.1T200 I201 L204 A376 N380 G381 V383 Y437T200-I378 HydrophobicContact CG2-CB 4.18Å; T200-I378 HydrophobicContact CG2-CD1 4.19Å; T200-I378 HydrophobicContact CG2-CG2 4Å; I201-I378 HydrophobicContact CD1-CD1 4.44Å; I201-I378 HydrophobicContact CG1-CD1 4.03Å; L204-I378 HydrophobicContact CD1-CG2 4.31Å; L204-I378 HydrophobicContact CD2-CG2 4.09Å; A376-I378 HydrophobicContact CB-CG2 4.29Å; I378-N380 PolarHBondContact O-N 3.41Å; I378-N380 VanDerWaalsContact O-N 3.11Å; I378-G381 CarbonylContact C-O 3.58Å; I378-G381 PolarHBondContact N-O 2.79Å; I378-G381 PolarHBondContact O-N 3.46Å; I378-V383 HydrophobicContact CD1-CG2 3.67Å; I378-V383 HydrophobicContact CG1-CG2 3.96Å; I378-V383 HydrophobicContact CG2-CG2 4.15Å; I378-Y437 HydrophobicContact CD1-CD2 3.64Å; I378-Y437 HydrophobicContact CD1-CE2 3.53Å; I378-Y437 HydrophobicContact CD1-CG 4.39Å; I378-Y437 HydrophobicContact CG1-CD2 3.82Å; I378-Y437 HydrophobicContact CG1-CE2 3.38Å
379K93.9Very high95.1Very high173 Ų17360.6 Ų60.675%0.75231%0.309SS*.THydrogen-bonded Turntrans-55.3123.4-177.5-173.6178.1-179.7179.60110.9G381 Y437K379-G381 VanDerWaalsContact C-N 3.28Å; K379-G381 PolarHBondContact O-N 3.12Å; K379-Y437 PolarHBondContact O-OH 2.81Å
380N95.5Very high94.6Very high93 Ų9358 Ų5850%0.49729%0.291SS..THydrogen-bonded Turntrans63.519.5176.8-48.7-28.5000116I378 L439 D440I378-N380 PolarHBondContact O-N 3.41Å; I378-N380 VanDerWaalsContact O-N 3.11Å; N380-L439 HydrophobicContact CB-CD2 4.4Å; N380-L439 WeakPolarHBondContact O-CA 3.39Å; N380-D440 PolarHBondContact O-N 3.21Å
381G97.7Very high93.7Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans177.4-173.8178.500000115.1I378 K379 D438 D440I378-G381 CarbonylContact C-O 3.58Å; I378-G381 PolarHBondContact N-O 2.79Å; I378-G381 PolarHBondContact O-N 3.46Å; K379-G381 VanDerWaalsContact C-N 3.28Å; K379-G381 PolarHBondContact O-N 3.12Å; G381-D438 CarbonylContact C-O 3.46Å; G381-D438 WeakPolarHBondContact CA-O 3.28Å; G381-D440 PolarHBondContact N-OD2 2.85Å
382S98Very high92.3Very high31 Ų3158.5 Ų58.522%0.21730%0.298CS..EExtended strand (participates in β ladder)trans-125.7145.7-179.962.80000111.7Y437 D438S382-Y437 WeakPolarHBondContact O-CA 3.46Å; S382-D438 PolarHBondContact N-O 3.36Å; S382-D438 PolarHBondContact O-N 2.77Å
383V98.5Very high89.8Confident0 Ų062.8 Ų62.80%032%0.322CS..EExtended strand (participates in β ladder)trans-103.4128.4176.2-174.90000108.7I201 L204 V375 A376 I378 Y435 V436 Y437I201-V383 HydrophobicContact CD1-CG1 4.5Å; I201-V383 HydrophobicContact CD1-CG2 4.1Å; I201-V383 HydrophobicContact CG1-CG1 4.43Å; I201-V383 HydrophobicContact CG1-CG2 3.85Å; I201-V383 HydrophobicContact CG2-CG1 4.46Å; L204-V383 HydrophobicContact CD1-CB 4.28Å; L204-V383 HydrophobicContact CD1-CG1 4.33Å; L204-V383 HydrophobicContact CD1-CG2 4.07Å; V375-V383 HydrophobicContact CB-CB 4.36Å; V375-V383 HydrophobicContact CB-CG1 4.25Å; V375-V383 PolarHBondContact N-O 3.23Å; A376-V383 PolarHBondContact N-O 3.14Å; A376-V383 PolarHBondContact O-N 3.4Å; I378-V383 HydrophobicContact CD1-CG2 3.67Å; I378-V383 HydrophobicContact CG1-CG2 3.96Å; I378-V383 HydrophobicContact CG2-CG2 4.15Å; V383-Y435 HydrophobicContact CG1-CD1 4.29Å; V383-V436 CarbonylContact C-O 3.39Å; V383-V436 WeakPolarHBondContact CA-O 3.41Å; V383-Y437 HydrophobicContact CG2-CD2 4.03Å
384R97.8Very high86.8Confident31 Ų3163.5 Ų63.512%0.11733%0.334CS..EExtended strand (participates in β ladder)trans-114.5149.5172.7-61.9-179.1-75.2120.7-9.4110.1E366 P371 D373 L386 Y435 V436 D438E366-R384 IonicContact OE1-CZ 3.98Å; E366-R384 IonicContact OE1-NH1 3.03Å; E366-R384 IonicContact OE1-NH2 3.31Å; E366-R384 PolarHBondContact OE1-NH2 3.2Å; P371-R384 PolarHBondContact O-NH1 3.4Å; D373-R384 CarbonylContact O-C 3.5Å; D373-R384 VanDerWaalsContact O-CA 3.25Å; D373-R384 WeakPolarHBondContact O-CA 3.07Å; R384-L386 HydrophobicContact CB-CD1 4.24Å; R384-Y435 WeakPolarHBondContact O-CA 3.41Å; R384-V436 PolarHBondContact N-O 3.38Å; R384-V436 PolarHBondContact O-N 3.49Å; R384-D438 IonicContact CZ-OD2 3.17Å; R384-D438 IonicContact NE-OD2 3.98Å; R384-D438 PolarHBondContact NE-OD2 3.45Å; R384-D438 IonicContact NH2-OD1 3.37Å; R384-D438 PolarHBondContact NH2-OD1 3.14Å; R384-D438 IonicContact NH2-OD2 3.74Å; R384-D438 PolarHBondContact NH2-OD2 3.46Å
385R97.6Very high83.6Confident68 Ų6864 Ų6426%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-112.7121.3174.6-175.9-177.960.7-148.9-8.9109.1E210 G372 D373 V375 T433 Y435E210-R385 IonicContact OE1-CZ 3.04Å; E210-R385 IonicContact OE1-NH1 2.69Å; E210-R385 PolarHBondContact OE1-NH1 3.26Å; E210-R385 WeakPolarHBondContact OE2-CD 3.49Å; G372-R385 CarbonylContact C-O 3.54Å; G372-R385 WeakPolarHBondContact CA-O 3.33Å; D373-R385 PolarHBondContact N-O 2.89Å; D373-R385 PolarHBondContact O-N 2.95Å; D373-R385 IonicContact OD2-NH2 3.88Å; V375-R385 HydrophobicContact CG2-CB 3.41Å; V375-R385 VanDerWaalsContact CG2-CB 3.41Å; R385-T433 HydrophobicContact CG-CG2 3.38Å; R385-Y435 HydrophobicContact CB-CD1 4.27Å; R385-Y435 HydrophobicContact CB-CE1 4.09Å; R385-Y435 HydrophobicContact CG-CD1 4.39Å; R385-Y435 HydrophobicContact CG-CE1 3.93Å
386L95.9Very high80.4Confident0 Ų066.6 Ų66.60%037%0.365CS..EExtended strand (participates in β ladder)trans-107.4132.4174-69.673.7000108.8V362 M365 P371 R384 I388 T433 I434 V436V362-L386 HydrophobicContact CG1-CD2 4.25Å; M365-L386 HydrophobicContact CB-CD2 3.83Å; M365-L386 HydrophobicContact CG-CD2 4.35Å; P371-L386 VanDerWaalsContact O-CD1 3.27Å; P371-L386 WeakPolarHBondContact O-CD1 3.34Å; R384-L386 HydrophobicContact CB-CD1 4.24Å; L386-I388 HydrophobicContact CB-CD1 3.87Å; L386-I388 HydrophobicContact CB-CG1 3.83Å; L386-I388 HydrophobicContact CD2-CD1 3.93Å; L386-T433 CarbonylContact O-C 3.36Å; L386-T433 WeakPolarHBondContact O-CA 3.34Å; L386-I434 HydrophobicContact CB-CB 4.48Å; L386-I434 PolarHBondContact N-O 3.25Å; L386-I434 PolarHBondContact O-N 3.11Å; L386-V436 HydrophobicContact CD1-CB 4.19Å; L386-V436 HydrophobicContact CD1-CG2 3.65Å
387I93.1Very high77.4Confident91 Ų9172.5 Ų72.547%0.46740%0.402SS..EExtended strand (participates in β ladder)trans-102.4113.4170.6-60.9171.2000106.7Y431I387-Y431 HydrophobicContact CG2-CD1 3.85Å; I387-Y431 HydrophobicContact CG2-CG 4.05Å
388I90.6Very high74.3Confident0 Ų074.9 Ų74.90%041%0.411CS..EExtended strand (participates in β ladder)trans-129.5141.9-168.8-56.2-172.5000110.2F323 M365 L386 K390 Y431 E432 I434F323-I388 HydrophobicContact CE1-CG2 3.65Å; F323-I388 HydrophobicContact CZ-CG2 3.38Å; M365-I388 HydrophobicContact CE-CG1 4.31Å; M365-I388 HydrophobicContact CG-CD1 3.63Å; M365-I388 HydrophobicContact CG-CG1 3.93Å; M365-I388 HydrophobicContact SD-CG1 4.5Å; L386-I388 HydrophobicContact CB-CD1 3.87Å; L386-I388 HydrophobicContact CB-CG1 3.83Å; L386-I388 HydrophobicContact CD2-CD1 3.93Å; I388-K390 PolarHBondContact O-N 3.42Å; I388-Y431 VanDerWaalsContact C-CD1 3.46Å; I388-Y431 CarbonylContact O-C 3.57Å; I388-Y431 WeakPolarHBondContact O-CA 3.43Å; I388-E432 PolarHBondContact N-O 3.2Å; I388-E432 PolarHBondContact O-N 3.43Å; I388-I434 HydrophobicContact CD1-CD1 3.85Å; I388-I434 HydrophobicContact CD1-CG1 4.42Å
389P87.1Confident71.1Confident8 Ų885.2 Ų85.25%0.05245%0.448CS..EExtended strand (participates in β ladder)trans-56.7131.8174.3-21.931.3000111.7F323 I327 R361 D430 Y431F323-P389 HydrophobicContact CE1-CB 4.37Å; F323-P389 HydrophobicContact CE1-CG 4.39Å; I327-P389 HydrophobicContact CB-CG 4.39Å; I327-P389 HydrophobicContact CD1-CB 4.05Å; I327-P389 HydrophobicContact CD1-CG 4.39Å; I327-P389 HydrophobicContact CG2-CB 4.21Å; I327-P389 HydrophobicContact CG2-CG 3.6Å; R361-P389 PolarHBondContact NH2-O 3.01Å; P389-D430 CarbonylContact C-O 3.53Å; P389-D430 WeakPolarHBondContact CA-O 3.44Å; P389-Y431 HydrophobicContact CB-CE1 4.38Å; P389-Y431 HydrophobicContact CG-CD1 4.15Å; P389-Y431 HydrophobicContact CG-CE1 3.65Å
390K82.9Confident67.9Low92 Ų9288 Ų8840%0.445%0.454SS..  trans-60.7149.6176.8-75.3174.3176.9162.10111.2I388 H392 S429 D430 Y431 E432I388-K390 PolarHBondContact O-N 3.42Å; K390-H392 PolarHBondContact O-N 2.82Å; K390-S429 PolarHBondContact NZ-O 2.8Å; K390-D430 WeakPolarHBondContact CB-O 3.29Å; K390-D430 PolarHBondContact N-O 3.07Å; K390-Y431 WeakPolarHBondContact CE-O 3.26Å; K390-E432 HydrophobicContact CG-CB 3.81Å; K390-E432 HydrophobicContact CG-CG 4.09Å
391V73.5Confident64.7Low66 Ų6692.1 Ų92.140%0.448%0.475SS..  trans-80.9107.2168.5-174.80000108C393V391-C393 PolarHBondContact O-N 2.92Å
392H61.2Low61.4Low125 Ų12597.8 Ų97.858%0.57951%0.509SS*.  trans-73.3113.2166.7-65.6-69000108K390 S394 D430K390-H392 PolarHBondContact O-N 2.82Å; H392-S394 VanDerWaalsContact C-N 3.32Å; H392-S394 PolarHBondContact O-N 3.24Å; H392-D430 IonicContact CE1-OD1 3.56Å; H392-D430 IonicContact NE2-OD1 2.77Å
393C43Very low58Low117 Ų117104.9 Ų104.979%0.79154%0.539SS*.  trans-63.694.1174.8-156.20000108.3V391 T395V391-C393 PolarHBondContact O-N 2.92Å; C393-T395 VanDerWaalsContact C-N 3.34Å; C393-T395 PolarHBondContact O-N 2.65Å
394S33.3Very low54.7Low111 Ų111111 Ų11178%0.77658%0.576SS**  trans-70.598.6167.859.90000106.9H392 S396H392-S394 VanDerWaalsContact C-N 3.32Å; H392-S394 PolarHBondContact O-N 3.24Å; S394-S396 PolarHBondContact O-N 2.91Å
395T29.5Very low51.5Low123 Ų123115 Ų11576%0.75561%0.606SS**  trans-49.1123.4170.737.90000110.6C393C393-T395 VanDerWaalsContact C-N 3.34Å; C393-T395 PolarHBondContact O-N 2.65Å
396S28Very low48.2Very low95 Ų95119.2 Ų119.266%0.66463%0.634SS**  trans41.3118.1155.6-40.20000118.6S394 E398S394-S396 PolarHBondContact O-N 2.91Å; S396-E398 PolarHBondContact O-N 2.9Å
397P34.8Very low45.1Very low142 Ų142126.7 Ų126.792%0.92267%0.674SS**SBendtrans-75.231.9-174.732.5-35.7000115.7
398E32.7Very low42Very low185 Ų185126.8 Ų126.886%0.86468%0.683SS**  trans-94.25.5-175.8-93.9-172.4179.400116.3S396S396-E398 PolarHBondContact O-N 2.9Å
399R28.6Very low39Very low238 Ų238133.6 Ų133.690%0.89872%0.719SS**SBendtrans-138.767.4176.3-71.4-168.7-175.9-170.52.5114.5
400R26.1Very low36.1Very low231 Ų231144.6 Ų144.687%0.87276%0.761SS**  trans-149.861148.9-66.4-164.6-151.1-163.68.7111.6V402R400-V402 PolarHBondContact O-N 3.12Å
401L28.2Very low33.5Very low180 Ų180148.2 Ų148.294%0.94278%0.779SS**  trans-82.472.9152.5-74.6169.3000107.6Q403L401-Q403 PolarHBondContact O-N 3.12Å
402V30Very low31.4Very low119 Ų119151 Ų15172%0.72180%0.799SS**  trans-81.1112.8167.4-179.40000106.3R400 V404R400-V402 PolarHBondContact O-N 3.12Å; V402-V404 PolarHBondContact O-N 3.38Å
403Q26.1Very low29.8Very low180 Ų180156.7 Ų156.784%0.84182%0.815SS**PPolyproline II helixtrans-51118.2177.3-70.2174.6-17.300110.1L401 P405L401-Q403 PolarHBondContact O-N 3.12Å; Q403-P405 VanDerWaalsContact O-CD 3.3Å; Q403-P405 WeakPolarHBondContact O-CD 3.31Å
404V29.2Very low29Very low128 Ų128158.4 Ų158.478%0.77682%0.816SS**PPolyproline II helixtrans-73116.8172.5-1770000107.5V402 N406V402-V404 PolarHBondContact O-N 3.38Å; V404-N406 PolarHBondContact O-N 3.11Å
405P29.7Very low28.8Very low116 Ų116160.4 Ų160.475%0.75382%0.818SS**PPolyproline II helixtrans-73.5119173.7-7.424.5000108.3Q403 N407Q403-P405 VanDerWaalsContact O-CD 3.3Å; Q403-P405 WeakPolarHBondContact O-CD 3.31Å; P405-N407 PolarHBondContact O-N 3.32Å
406N28.3Very low28.7Very low156 Ų156161.7 Ų161.783%0.83482%0.821SS**  trans-56.3106167.5-78.2-25.2000109.3V404V404-N406 PolarHBondContact O-N 3.11Å
407N31.3Very low28.6Very low158 Ų158163.6 Ų163.685%0.84582%0.823SS**  trans-143.7112.5150.7-102.1-18.8000111.1P405P405-N407 PolarHBondContact O-N 3.32Å
408S27.2Very low28.3Very low93 Ų93166 Ų16665%0.6582%0.819SS**  trans-50.7156169.746.10000114.4
409N27.8Very low27.9Very low142 Ų142166.7 Ų166.776%0.75982%0.816SS**  trans86.286.3161.8-56.2-21.8000115.7
410Y26.3Very low28Very low239 Ų239161.1 Ų161.194%0.93781%0.808SS**  trans-136.7112.3149.5-109.4-87.4000111.3
411H28.2Very low28.1Very low169 Ų169157.8 Ų157.878%0.78281%0.807SS**  trans-70.2147.9168.9-85.9-79.1000110.8R413H411-R413 PolarHBondContact O-N 3.11Å
412P29.8Very low28.1Very low125 Ų125152 Ų15281%0.81279%0.791SS**  trans-78.4110.4-17531.5-30.8000109.7
413R27.6Very low28.2Very low243 Ų243154 Ų15492%0.91780%0.796SS**  trans-101.2112.9163.4-90.9-172175.6179.5-0.2109.6H411 N415H411-R413 PolarHBondContact O-N 3.11Å; R413-N415 PolarHBondContact O-N 3.05Å
414N27Very low28.7Very low153 Ų153150.1 Ų150.182%0.81879%0.788SS**  trans-45.8117.8160.3-95-17.3000110.1
415N28.9Very low29.4Very low154 Ų154149.1 Ų149.182%0.82479%0.787SS**  trans-146.795.1151.7-103.1-9000108.2R413 N417R413-N415 PolarHBondContact O-N 3.05Å; N415-N417 PolarHBondContact O-N 3.43Å; N415-N417 VanDerWaalsContact O-N 3.13Å
416N27.1Very low30.1Very low150 Ų150145.3 Ų145.380%0.80276%0.762SS**  trans-59.4105.2157.9-75.4-21000107.7
417N25.6Very low30.9Very low134 Ų134140.9 Ų140.972%0.71774%0.742SS**  trans178.576.9152.3-91.1-15.6000109.1N415N415-N417 PolarHBondContact O-N 3.43Å; N415-N417 VanDerWaalsContact O-N 3.13Å
418F27.8Very low32.1Very low192 Ų192139.2 Ų139.284%0.84274%0.739SS**  trans-116.583.1157.9-88.6-83.2000108V420F418-V420 PolarHBondContact O-N 3.32Å
419Y25.3Very low33.7Very low201 Ų201138.6 Ų138.679%0.78874%0.735SS**  trans-67.9100.9153.5-81.7-87.2000106.7N421Y419-N421 PolarHBondContact O-N 3.44Å
420V30.1Very low36.2Very low120 Ų120134 Ų13473%0.72771%0.71SS**  trans-75.381.5173-177.20000107.8F418 G422F418-V420 PolarHBondContact O-N 3.32Å; V420-G422 PolarHBondContact O-N 2.81Å
421N28.4Very low39.2Very low162 Ų162126.1 Ų126.187%0.86668%0.679SS**  trans-85.796.3161-87.2-17.9000107.6Y419Y419-N421 PolarHBondContact O-N 3.44Å
422G28.7Very low42.2Very low57 Ų57118.9 Ų118.959%0.58865%0.646SS**  trans179.852.4178.600000110.9V420 S424V420-G422 PolarHBondContact O-N 2.81Å; G422-S424 PolarHBondContact O-N 3.38Å
423I32.7Very low45.3Very low162 Ų162115 Ų11583%0.83162%0.62SS**  trans-69.191.8165-57.4174.3000105.2S425I423-S425 VanDerWaalsContact C-N 3.35Å; I423-S425 PolarHBondContact O-N 3.08Å
424S36.4Very low48.6Very low98 Ų98103.4 Ų103.469%0.68558%0.576SS**  trans-54.8102.4164.6165.80000106.9G422 V426G422-S424 PolarHBondContact O-N 3.38Å; S424-V426 PolarHBondContact O-N 2.95Å
425S42.7Very low51.9Low108 Ų10896.2 Ų96.276%0.75554%0.538SS*.  trans-64.2106.9173.955.20000107.9I423I423-S425 VanDerWaalsContact C-N 3.35Å; I423-S425 PolarHBondContact O-N 3.08Å
426V45.4Very low55.3Low35 Ų3588.9 Ų88.921%0.21250%0.499CS..  trans-62.4133.6177.6174.40000108.6I327 S424 D430 Y431I327-V426 HydrophobicContact CG2-CG2 3.69Å; S424-V426 PolarHBondContact O-N 2.95Å; V426-D430 HydrophobicContact CG1-CB 3.47Å; V426-D430 VanDerWaalsContact CG1-CB 3.47Å; V426-Y431 HydrophobicContact CB-CE2 3.69Å; V426-Y431 HydrophobicContact CG1-CD2 4.23Å; V426-Y431 HydrophobicContact CG1-CE2 3.6Å
427P45.8Very low58.7Low64 Ų6481.9 Ų81.942%0.41646%0.461SS..  trans-56.3148.3179.2-21.830.3000112.2S429 D430 Y431P427-S429 PolarHBondContact O-N 3.45Å; P427-S429 VanDerWaalsContact O-N 3.07Å; P427-D430 WeakPolarHBondContact CD-OD2 3.49Å; P427-D430 PolarHBondContact O-N 2.96Å; P427-Y431 WeakPolarHBondContact O-CD2 3.4Å
428P54.7Low62.1Low123 Ų12377.1 Ų77.180%0.79944%0.435SS*.G310 helixtrans-55.8-28.3177.2-24.432.5000114.2D430 Y431P428-D430 PolarHBondContact O-N 3.04Å; P428-Y431 PolarHBondContact O-N 3.02Å
429S62.3Low65.5Low80 Ų8068.9 Ų68.956%0.55940%0.4SS*.G310 helixtrans-66.3-19.5178.754.40000114.2K390 P427K390-S429 PolarHBondContact NZ-O 2.8Å; P427-S429 PolarHBondContact O-N 3.45Å; P427-S429 VanDerWaalsContact O-N 3.07Å
430D80.3Confident68.9Low44 Ų4464 Ų6424%0.23539%0.388CS..G310 helixtrans-958.4-176.8-68.1-18.9000112.6P389 K390 H392 V426 P427 P428P389-D430 CarbonylContact C-O 3.53Å; P389-D430 WeakPolarHBondContact CA-O 3.44Å; K390-D430 WeakPolarHBondContact CB-O 3.29Å; K390-D430 PolarHBondContact N-O 3.07Å; H392-D430 IonicContact CE1-OD1 3.56Å; H392-D430 IonicContact NE2-OD1 2.77Å; V426-D430 HydrophobicContact CG1-CB 3.47Å; V426-D430 VanDerWaalsContact CG1-CB 3.47Å; P427-D430 WeakPolarHBondContact CD-OD2 3.49Å; P427-D430 PolarHBondContact O-N 2.96Å; P428-D430 PolarHBondContact O-N 3.04Å
431Y87.7Confident72Confident74 Ų7466.6 Ų66.629%0.2939%0.389SS..EExtended strand (participates in β ladder)trans-104.5151.2170.6-69.3-97.8000110.9I387 I388 P389 K390 V426 P427 P428I387-Y431 HydrophobicContact CG2-CD1 3.85Å; I387-Y431 HydrophobicContact CG2-CG 4.05Å; I388-Y431 VanDerWaalsContact C-CD1 3.46Å; I388-Y431 CarbonylContact O-C 3.57Å; I388-Y431 WeakPolarHBondContact O-CA 3.43Å; P389-Y431 HydrophobicContact CB-CE1 4.38Å; P389-Y431 HydrophobicContact CG-CD1 4.15Å; P389-Y431 HydrophobicContact CG-CE1 3.65Å; K390-Y431 WeakPolarHBondContact CE-O 3.26Å; V426-Y431 HydrophobicContact CB-CE2 3.69Å; V426-Y431 HydrophobicContact CG1-CD2 4.23Å; V426-Y431 HydrophobicContact CG1-CE2 3.6Å; P427-Y431 WeakPolarHBondContact O-CD2 3.4Å; P428-Y431 PolarHBondContact O-N 3.02Å
432E91.5Very high75.2Confident17 Ų1761.1 Ų61.18%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-125.3156.4168.368-178.6139.800111S295 R361 I388 K390S295-E432 PolarHBondContact OG-OE2 3.32Å; R361-E432 IonicContact CZ-OE1 3.7Å; R361-E432 IonicContact NH1-OE1 2.83Å; R361-E432 PolarHBondContact NH1-OE1 3.39Å; R361-E432 IonicContact NH2-OE1 3.7Å; R361-E432 PolarHBondContact NH2-OE1 3.04Å; I388-E432 PolarHBondContact N-O 3.2Å; I388-E432 PolarHBondContact O-N 3.43Å; K390-E432 HydrophobicContact CG-CB 3.81Å; K390-E432 HydrophobicContact CG-CG 4.09Å
433T94.7Very high78.3Confident44 Ų4460.5 Ų60.527%0.2734%0.344SS..EExtended strand (participates in β ladder)trans-91.3130.3174.8-57.90000109.9R385 L386 Y435R385-T433 HydrophobicContact CG-CG2 3.38Å; L386-T433 CarbonylContact O-C 3.36Å; L386-T433 WeakPolarHBondContact O-CA 3.34Å; T433-Y435 HydrophobicContact CG2-CD2 4.23Å; T433-Y435 HydrophobicContact CG2-CE1 4.26Å; T433-Y435 HydrophobicContact CG2-CE2 3.66Å
434I96.8Very high81.1Confident0 Ų058.1 Ų58.10%033%0.33CS..EExtended strand (participates in β ladder)trans-116131.8168.7-60.9-171.5000108.6V292 T294 V362 L386 I388 V436V292-I434 HydrophobicContact CG1-CG2 3.68Å; T294-I434 HydrophobicContact CG2-CB 4.42Å; T294-I434 HydrophobicContact CG2-CD1 3.72Å; T294-I434 HydrophobicContact CG2-CG1 3.82Å; T294-I434 HydrophobicContact CG2-CG2 3.95Å; V362-I434 HydrophobicContact CG2-CD1 4.28Å; V362-I434 HydrophobicContact CG2-CG2 3.89Å; L386-I434 HydrophobicContact CB-CB 4.48Å; L386-I434 PolarHBondContact N-O 3.25Å; L386-I434 PolarHBondContact O-N 3.11Å; I388-I434 HydrophobicContact CD1-CD1 3.85Å; I388-I434 HydrophobicContact CD1-CG1 4.42Å; I434-V436 HydrophobicContact CG2-CG2 4.06Å
435Y98.2Very high83.7Confident2 Ų254 Ų541%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-98.7128.6171.1-64.6-81000109.9I201 V207 E210 L211 I293 V375 V383 R384 R385 T433I201-Y435 HydrophobicContact CG2-CG 4.44Å; V207-Y435 HydrophobicContact CB-CE1 4.3Å; V207-Y435 HydrophobicContact CG1-CD1 4.47Å; V207-Y435 HydrophobicContact CG1-CD2 4.37Å; V207-Y435 HydrophobicContact CG1-CE1 3.93Å; V207-Y435 HydrophobicContact CG1-CE2 3.83Å; V207-Y435 HydrophobicContact CG2-CD1 4.39Å; V207-Y435 HydrophobicContact CG2-CE1 3.6Å; E210-Y435 VanDerWaalsContact CD-OH 3.25Å; E210-Y435 PolarHBondContact OE2-OH 3.29Å; L211-Y435 HydrophobicContact CD2-CE2 4.15Å; L211-Y435 HydrophobicContact CG-CE2 4.4Å; I293-Y435 PolarHBondContact N-O 2.98Å; I293-Y435 PolarHBondContact O-N 3.35Å; V375-Y435 HydrophobicContact CG2-CE1 4.41Å; V383-Y435 HydrophobicContact CG1-CD1 4.29Å; R384-Y435 WeakPolarHBondContact O-CA 3.41Å; R385-Y435 HydrophobicContact CB-CD1 4.27Å; R385-Y435 HydrophobicContact CB-CE1 4.09Å; R385-Y435 HydrophobicContact CG-CD1 4.39Å; R385-Y435 HydrophobicContact CG-CE1 3.93Å; T433-Y435 HydrophobicContact CG2-CD2 4.23Å; T433-Y435 HydrophobicContact CG2-CE1 4.26Å; T433-Y435 HydrophobicContact CG2-CE2 3.66Å
436V98.4Very high85.8Confident0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans-118.2118.3176.7-1770000107.9L291 V292 V362 V383 R384 L386 I434L291-V436 WeakPolarHBondContact O-CA 3.28Å; V292-V436 HydrophobicContact CG2-CG2 4.44Å; V362-V436 HydrophobicContact CG1-CG2 3.78Å; V362-V436 HydrophobicContact CG2-CG2 4.01Å; V383-V436 CarbonylContact C-O 3.39Å; V383-V436 WeakPolarHBondContact CA-O 3.41Å; R384-V436 PolarHBondContact N-O 3.38Å; R384-V436 PolarHBondContact O-N 3.49Å; L386-V436 HydrophobicContact CD1-CB 4.19Å; L386-V436 HydrophobicContact CD1-CG2 3.65Å; I434-V436 HydrophobicContact CG2-CG2 4.06Å
437Y98.6Very high88Confident3 Ų350.2 Ų50.21%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-97.8118.5170169.6-117.2000109.1W193 V197 I201 G290 L291 I378 K379 S382 V383 L439W193-Y437 HydrophobicContact CZ2-CD1 4.19Å; W193-Y437 AromaticContact CZ2-CE1 3.93Å; W193-Y437 HydrophobicContact CZ2-CE1 3.93Å; V197-Y437 HydrophobicContact CG1-CD1 3.53Å; V197-Y437 HydrophobicContact CG1-CE1 3.95Å; V197-Y437 HydrophobicContact CG1-CG 3.91Å; V197-Y437 HydrophobicContact CG2-CD1 4.17Å; V197-Y437 HydrophobicContact CG2-CE1 3.73Å; I201-Y437 HydrophobicContact CD1-CG 4.43Å; G290-Y437 CarbonylContact C-O 3.49Å; G290-Y437 WeakPolarHBondContact CA-O 3.34Å; L291-Y437 HydrophobicContact CB-CD1 4.37Å; L291-Y437 PolarHBondContact N-O 3.43Å; L291-Y437 PolarHBondContact O-N 2.91Å; I378-Y437 HydrophobicContact CD1-CD2 3.64Å; I378-Y437 HydrophobicContact CD1-CE2 3.53Å; I378-Y437 HydrophobicContact CD1-CG 4.39Å; I378-Y437 HydrophobicContact CG1-CD2 3.82Å; I378-Y437 HydrophobicContact CG1-CE2 3.38Å; K379-Y437 PolarHBondContact O-OH 2.81Å; S382-Y437 WeakPolarHBondContact O-CA 3.46Å; V383-Y437 HydrophobicContact CG2-CD2 4.03Å; Y437-L439 HydrophobicContact CE1-CD2 3.68Å; Y437-L439 HydrophobicContact CE1-CG 3.97Å; Y437-L439 WeakPolarHBondContact OH-CD2 3.4Å
438D98.2Very high90.1Very high33 Ų3348.3 Ų48.318%0.17625%0.252CS..EExtended strand (participates in β ladder)trans-102.8129.6174.2-55.4-67.6000110R301 G381 S382 R384R301-D438 IonicContact NH1-OD1 2.63Å; R301-D438 PolarHBondContact NH1-OD1 3.11Å; G381-D438 CarbonylContact C-O 3.46Å; G381-D438 WeakPolarHBondContact CA-O 3.28Å; S382-D438 PolarHBondContact N-O 3.36Å; S382-D438 PolarHBondContact O-N 2.77Å; R384-D438 IonicContact CZ-OD2 3.17Å; R384-D438 IonicContact NE-OD2 3.98Å; R384-D438 PolarHBondContact NE-OD2 3.45Å; R384-D438 IonicContact NH2-OD1 3.37Å; R384-D438 PolarHBondContact NH2-OD1 3.14Å; R384-D438 IonicContact NH2-OD2 3.74Å; R384-D438 PolarHBondContact NH2-OD2 3.46Å
439L98Very high91.8Very high19 Ų1942.5 Ų42.510%0.09921%0.214CC..EExtended strand (participates in β ladder)trans-75.1137.2172.4-73.2163.9000110.4W193 I288 T289 N380 Y437 F441 Q443W193-L439 HydrophobicContact CZ2-CD1 3.89Å; W193-L439 HydrophobicContact CZ2-CD2 4.39Å; W193-L439 HydrophobicContact CZ2-CG 4.26Å; I288-L439 HydrophobicContact CG2-CD1 4.43Å; I288-L439 WeakPolarHBondContact O-CD1 3.45Å; T289-L439 WeakPolarHBondContact O-CB 3.49Å; T289-L439 PolarHBondContact O-N 3.49Å; N380-L439 HydrophobicContact CB-CD2 4.4Å; N380-L439 WeakPolarHBondContact O-CA 3.39Å; Y437-L439 HydrophobicContact CE1-CD2 3.68Å; Y437-L439 HydrophobicContact CE1-CG 3.97Å; Y437-L439 WeakPolarHBondContact OH-CD2 3.4Å; L439-F441 PolarHBondContact O-N 2.97Å; L439-Q443 HydrophobicContact CD1-CB 4.46Å; L439-Q443 HydrophobicContact CD1-CG 3.92Å
440D97.3Very high93.2Very high100 Ų10038.9 Ų38.954%0.53519%0.189SC..EExtended strand (participates in β ladder)trans-58.2-38.3170.6-63.2-33.7000110.8N380 G381N380-D440 PolarHBondContact O-N 3.21Å; G381-D440 PolarHBondContact N-OD2 2.85Å
441F95.4Very high93.6Very high174 Ų17436.9 Ų36.976%0.76318%0.179SC*.EExtended strand (participates in β ladder)trans-132.8126.7178-58.8-76.8000110.6L439 Q443L439-F441 PolarHBondContact O-N 2.97Å; F441-Q443 PolarHBondContact O-N 3.45Å
442P95.2Very high93.7Very high46 Ų4634.8 Ų34.830%0.29918%0.175SC..EExtended strand (participates in β ladder)trans-59.2136.1177.7-24.133000112.7Q287 I288 T289 H444Q287-P442 HydrophobicContact CB-CB 4Å; Q287-P442 HydrophobicContact CG-CB 4.23Å; I288-P442 CarbonylContact O-C 3.32Å; I288-P442 VanDerWaalsContact O-CA 3.29Å; I288-P442 WeakPolarHBondContact O-CA 3.13Å; T289-P442 HydrophobicContact CG2-CB 4.24Å; T289-P442 HydrophobicContact CG2-CG 4.24Å; P442-H444 PolarHBondContact O-CE1 2.83Å; P442-H444 PolarHBondContact O-ND1 3.28Å; P442-H444 VanDerWaalsContact O-ND1 3.1Å
443Q93.5Very high93.7Very high44 Ų4435.7 Ų35.721%0.20618%0.178CC..EExtended strand (participates in β ladder)trans-84.2139.4174.5-67.8175.312.400110.3W193 Q287 I288 L439 F441 Y445W193-Q443 VanDerWaalsContact CD1-NE2 3.26Å; W193-Q443 VanDerWaalsContact NE1-NE2 3.11Å; Q287-Q443 CarbonylContact C-O 3.29Å; Q287-Q443 VanDerWaalsContact CA-O 3.29Å; Q287-Q443 WeakPolarHBondContact CA-O 3.4Å; I288-Q443 HydrophobicContact CB-CB 4.42Å; I288-Q443 PolarHBondContact N-O 2.68Å; I288-Q443 PolarHBondContact O-N 2.86Å; L439-Q443 HydrophobicContact CD1-CB 4.46Å; L439-Q443 HydrophobicContact CD1-CG 3.92Å; F441-Q443 PolarHBondContact O-N 3.45Å; Q443-Y445 HydrophobicContact CB-CD2 4.24Å; Q443-Y445 HydrophobicContact CB-CE2 3.61Å; Q443-Y445 PolarHBondContact OE1-OH 3.25Å
444H91.9Very high93.6Very high113 Ų11335.3 Ų35.352%0.52317%0.173SC..EExtended strand (participates in β ladder)trans-106.7126.5-174.2-67.269.6000110.7T285 V286 Q287 P442T285-H444 HydrophobicContact CG2-CB 4.01Å; V286-H444 WeakPolarHBondContact O-CA 3.44Å; Q287-H444 PolarHBondContact NE2-NE2 2.78Å; P442-H444 PolarHBondContact O-CE1 2.83Å; P442-H444 PolarHBondContact O-ND1 3.28Å; P442-H444 VanDerWaalsContact O-ND1 3.1Å
445Y90.6Very high93.4Very high11 Ų1137.1 Ų37.14%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-126.8139.3-176.4-73.6-84.8000111.6W147 E186 R189 L190 T285 V286 I288 Q443W147-Y445 HydrophobicContact CZ2-CD1 4.42Å; W147-Y445 AromaticContact CZ2-CG 3.98Å; W147-Y445 HydrophobicContact CZ2-CG 3.98Å; W147-Y445 AromaticContact NE1-CD1 3.62Å; W147-Y445 AromaticContact NE1-CG 3.91Å; E186-Y445 HydrophobicContact CB-CD1 4Å; E186-Y445 HydrophobicContact CG-CD1 4.39Å; E186-Y445 WeakPolarHBondContact OE2-CD1 3.4Å; E186-Y445 WeakPolarHBondContact OE2-CE1 3.49Å; R189-Y445 HydrophobicContact CB-CE1 4.41Å; L190-Y445 HydrophobicContact CB-CE1 3.86Å; L190-Y445 HydrophobicContact CD1-CE1 4.46Å; L190-Y445 HydrophobicContact CD1-CE2 4.08Å; T285-Y445 CarbonylContact C-O 3.39Å; T285-Y445 VanDerWaalsContact CA-O 3.29Å; T285-Y445 WeakPolarHBondContact CA-O 3.27Å; V286-Y445 PolarHBondContact N-O 3.1Å; V286-Y445 PolarHBondContact O-N 2.83Å; I288-Y445 HydrophobicContact CB-CD2 4.21Å; I288-Y445 HydrophobicContact CB-CE2 4.09Å; I288-Y445 HydrophobicContact CG1-CD2 3.5Å; I288-Y445 HydrophobicContact CG1-CE2 3.66Å; Q443-Y445 HydrophobicContact CB-CD2 4.24Å; Q443-Y445 HydrophobicContact CB-CE2 3.61Å; Q443-Y445 PolarHBondContact OE1-OH 3.25Å
446R88.2Confident93.2Very high64 Ų6439.1 Ų39.124%0.24219%0.192CC..EExtended strand (participates in β ladder)trans-87.5130.8173.4-66.2-68-71.1172.2-5.8109.8P183 F284 T285P183-R446 WeakPolarHBondContact CB-O 3.47Å; P183-R446 HydrophobicContact CG-CB 3.87Å; F284-R446 WeakPolarHBondContact O-CA 3.34Å; F284-R446 PolarHBondContact O-NH1 2.91Å; T285-R446 VanDerWaalsContact OG1-CD 3.24Å; T285-R446 WeakPolarHBondContact OG1-CD 3.43Å; T285-R446 PolarHBondContact OG1-NH1 2.89Å
447V90.6Very high92.9Very high0 Ų041.4 Ų41.40%020%0.203CC..EExtended strand (participates in β ladder)trans-137.1153-178.1-66.50000110.8W145 F146 W147 L283 F284 V286W145-V447 HydrophobicContact CB-CB 3.88Å; W145-V447 HydrophobicContact CB-CG2 3.63Å; W145-V447 HydrophobicContact CD2-CG2 3.94Å; W145-V447 HydrophobicContact CE3-CG2 4.49Å; W145-V447 HydrophobicContact CG-CB 4.28Å; W145-V447 HydrophobicContact CG-CG2 3.53Å; F146-V447 WeakPolarHBondContact O-CA 3.37Å; W147-V447 HydrophobicContact CD2-CG1 3.57Å; W147-V447 HydrophobicContact CE3-CG1 3.91Å; W147-V447 HydrophobicContact CG-CG1 4.13Å; W147-V447 HydrophobicContact CH2-CG1 3.91Å; W147-V447 HydrophobicContact CZ2-CG1 3.57Å; W147-V447 HydrophobicContact CZ3-CG1 4.06Å; L283-V447 CarbonylContact C-O 3.54Å; L283-V447 WeakPolarHBondContact CA-O 3.37Å; F284-V447 HydrophobicContact CB-CG2 4.11Å; F284-V447 PolarHBondContact N-O 3.41Å; F284-V447 PolarHBondContact O-N 3.21Å; V286-V447 HydrophobicContact CB-CG2 4.49Å; V286-V447 HydrophobicContact CG1-CG2 3.63Å; V286-V447 HydrophobicContact CG2-CG1 3.92Å; V286-V447 HydrophobicContact CG2-CG2 4.11Å
448T89.6Confident92.5Very high24 Ų2443.8 Ų43.815%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-103.2130.7175.3-53.30000109.3W145 F146 K282 L283 A450W145-T448 CarbonylContact C-O 3.58Å; W145-T448 WeakPolarHBondContact CA-O 3.36Å; F146-T448 PolarHBondContact N-O 2.76Å; F146-T448 PolarHBondContact O-N 3.28Å; K282-T448 WeakPolarHBondContact O-CA 3.33Å; L283-T448 WeakPolarHBondContact CD2-OG1 3.45Å; T448-A450 PolarHBondContact O-N 2.99Å
449F91.1Very high92.1Very high0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-77.8120.1168.8-169-84.3000109.1Y143 G144 W145 A255 V275 L279 L280 G281 K282 F284 W314Y143-F449 HydrophobicContact CD1-CE1 4.39Å; G144-F449 WeakPolarHBondContact O-CA 3.27Å; W145-F449 AromaticContact CD1-CD2 3.66Å; W145-F449 HydrophobicContact CG-CD2 4.37Å; W145-F449 AromaticContact NE1-CD2 3.64Å; A255-F449 HydrophobicContact CB-CE2 4.06Å; A255-F449 HydrophobicContact CB-CZ 4.44Å; V275-F449 HydrophobicContact CG1-CE1 4.26Å; L279-F449 HydrophobicContact CB-CB 4.35Å; L279-F449 HydrophobicContact CB-CD1 3.46Å; L279-F449 VanDerWaalsContact CB-CD1 3.46Å; L279-F449 HydrophobicContact CB-CD2 4.41Å; L279-F449 HydrophobicContact CB-CE1 3.74Å; L279-F449 HydrophobicContact CB-CG 3.83Å; L279-F449 HydrophobicContact CB-CZ 4.32Å; L279-F449 HydrophobicContact CD1-CD2 4.45Å; L279-F449 HydrophobicContact CD1-CE1 4.29Å; L279-F449 HydrophobicContact CD1-CE2 4.16Å; L279-F449 HydrophobicContact CD1-CZ 4.07Å; L279-F449 WeakPolarHBondContact O-CB 3.47Å; L280-F449 HydrophobicContact CD2-CD1 4.17Å; L280-F449 HydrophobicContact CD2-CE1 4.17Å; G281-F449 PolarHBondContact N-O 2.98Å; K282-F449 PolarHBondContact O-N 2.81Å; F284-F449 HydrophobicContact CD2-CB 4.04Å; F284-F449 HydrophobicContact CE2-CB 3.73Å; W314-F449 AromaticContact CH2-CD2 3.81Å; W314-F449 HydrophobicContact CH2-CD2 3.81Å; W314-F449 AromaticContact CH2-CE2 3.55Å; W314-F449 HydrophobicContact CH2-CE2 3.55Å; W314-F449 HydrophobicContact CZ2-CE2 4.49Å; W314-F449 HydrophobicContact CZ3-CD2 4.42Å; W314-F449 AromaticContact CZ3-CE2 3.94Å; W314-F449 HydrophobicContact CZ3-CE2 3.94Å
450A90.7Very high91.7Very high4 Ų446.3 Ų46.33%0.03323%0.226CC..EExtended strand (participates in β ladder)trans-144.9-175.1-174.400000110.9G144 F146 T448G144-A450 PolarHBondContact N-O 2.77Å; G144-A450 VanDerWaalsContact N-O 3.13Å; G144-A450 PolarHBondContact O-N 2.72Å; F146-A450 HydrophobicContact CD2-CB 3.82Å; F146-A450 HydrophobicContact CE2-CB 4.07Å; F146-A450 WeakPolarHBondContact CE2-O 3.46Å; T448-A450 PolarHBondContact O-N 2.99Å
451A90.1Very high91.3Very high3 Ų342.2 Ų42.23%0.02520%0.202CC..EExtended strand (participates in β ladder)trans-125.5137.6176.500000108.6P140 Y142 Y143 L280 Y453P140-A451 HydrophobicContact CB-CB 3.73Å; P140-A451 HydrophobicContact CG-CB 3.74Å; Y142-A451 WeakPolarHBondContact O-CA 3.05Å; Y143-A451 HydrophobicContact CD1-CB 4Å; Y143-A451 HydrophobicContact CE1-CB 4.04Å; L280-A451 HydrophobicContact CD2-CB 4.19Å; A451-Y453 HydrophobicContact CB-CD2 4.15Å; A451-Y453 HydrophobicContact CB-CE2 3.53Å
452S90.2Very high90.9Very high30 Ų3031.2 Ų31.221%0.2116%0.155CC..EExtended strand (participates in β ladder)trans-99.6115.7174.4-177.70000109P140 C141 Y142P140-S452 CarbonylContact C-O 3.57Å; P140-S452 WeakPolarHBondContact CA-O 3.45Å; P140-S452 WeakPolarHBondContact CB-O 3.5Å; C141-S452 WeakPolarHBondContact CB-O 3.31Å; C141-S452 PolarHBondContact N-O 3.14Å; Y142-S452 VanDerWaalsContact CZ-CB 3.44Å; Y142-S452 PolarHBondContact O-N 2.86Å; Y142-S452 PolarHBondContact OH-OG 3.04Å
453Y89.6Confident90.6Very high35 Ų3529.8 Ų29.814%0.13714%0.142CC..  trans-103.70-175.7-71.8-91.6000113.1T89 V99 M101 I138 P140 Y260 A451T89-Y453 HydrophobicContact CG2-CG 4.37Å; V99-Y453 HydrophobicContact CB-CD2 3.71Å; V99-Y453 HydrophobicContact CB-CE2 4.29Å; V99-Y453 HydrophobicContact CB-CG 4.48Å; V99-Y453 HydrophobicContact CG1-CD2 3.72Å; V99-Y453 HydrophobicContact CG1-CE2 4.03Å; V99-Y453 HydrophobicContact CG1-CG 4.33Å; M101-Y453 HydrophobicContact CE-CD1 3.82Å; M101-Y453 HydrophobicContact CE-CE1 3.92Å; M101-Y453 HydrophobicContact CE-CG 4.13Å; M101-Y453 HydrophobicContact CG-CE1 3.79Å; M101-Y453 HydrophobicContact CG-CE2 3.9Å; M101-Y453 VanDerWaalsContact CG-OH 3.3Å; M101-Y453 WeakPolarHBondContact CG-OH 3.46Å; I138-Y453 HydrophobicContact CG2-CD1 3.93Å; I138-Y453 HydrophobicContact CG2-CE1 3.87Å; P140-Y453 HydrophobicContact CB-CD1 3.94Å; P140-Y453 HydrophobicContact CB-CD2 4.22Å; P140-Y453 HydrophobicContact CB-CE1 3.91Å; P140-Y453 HydrophobicContact CB-CE2 4.24Å; P140-Y453 HydrophobicContact CB-CG 4.11Å; P140-Y453 HydrophobicContact CG-CE1 4.46Å; Y260-Y453 VanDerWaalsContact CE1-OXT 3.32Å; Y260-Y453 WeakPolarHBondContact CE1-OXT 3.18Å; A451-Y453 HydrophobicContact CB-CD2 4.15Å; A451-Y453 HydrophobicContact CB-CE2 3.53Å

Retrieved 453 of 453 residues in 155.1 ms (Link to these results)

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