A0A3Q0KUY4_SCHMA Loading...

Smp_202970

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A3Q0KUY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 378 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
1M32.4Very low59.8Low245 Ų245115.5 Ų115.5100%1.20763%0.633SS**  092.40-87.4174.2173.300106.8
2T35.1Very low63.1Low134 Ų134105.8 Ų105.882%0.82258%0.58SS**  trans-75.4118.3163.340.50000106.2H4T2-H4 PolarHBondContact O-N 2.93Å
3E37.5Very low65.8Low186 Ų18697.7 Ų97.787%0.86954%0.535SS*.  trans-52.5123.1173.3-67.5171.3156.700108.3G5E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 3.44Å
4H44.1Very low68.1Low181 Ų18191 Ų9184%0.83850%0.499SS*.  trans-61.797.2169.2-72.2-79.2000106.8T2 E6T2-H4 PolarHBondContact O-N 2.93Å; H4-E6 PolarHBondContact O-N 3.05Å
5G41.3Very low70.1Confident64 Ų6485.7 Ų85.766%0.6647%0.47SS*.  trans-51.8137.2164.600000108.2E3 D7E3-G5 VanDerWaalsContact C-N 3.29Å; E3-G5 PolarHBondContact O-N 3.44Å; G5-D7 PolarHBondContact O-N 3.07Å
6E45.7Very low71.7Confident185 Ų18581.2 Ų81.286%0.86445%0.449SS*.SBendtrans-6.4111.3175.4-66.1177153.900113.9H4 S8H4-E6 PolarHBondContact O-N 3.05Å; E6-S8 PolarHBondContact O-N 3.45Å
7D57.4Low73.2Confident144 Ų14476.9 Ų76.977%0.7743%0.426SS*.  trans-39.591.2-175.8-82.8-38.4000112.7G5 S9G5-D7 PolarHBondContact O-N 3.07Å; D7-S9 PolarHBondContact O-N 2.75Å
8S76.5Confident74.4Confident58 Ų5873.4 Ų73.441%0.40641%0.41SS..  trans-61.8113.6172.7-67.10000108.3E6 A10 E103E6-S8 PolarHBondContact O-N 3.45Å; S8-A10 PolarHBondContact O-N 2.91Å; S8-E103 WeakPolarHBondContact CB-O 3.49Å; S8-E103 PolarHBondContact OG-O 2.95Å
9S92.3Very high75.6Confident64 Ų6473.2 Ų73.245%0.44841%0.406SS..PPolyproline II helixtrans-58.2133.9-177.7-54.70000110.4D7 H104D7-S9 PolarHBondContact O-N 2.75Å; S9-H104 PolarHBondContact O-ND1 3.27Å
10A97.5Very high76.8Confident9 Ų969.6 Ų69.67%0.07439%0.386CS..PPolyproline II helixtrans-63.6147.5179.200000111.3S8 F24 A25 P105 A350 W359S8-A10 PolarHBondContact O-N 2.91Å; A10-F24 CarbonylContact O-C 3.55Å; A10-F24 WeakPolarHBondContact O-CA 3.47Å; A10-A25 HydrophobicContact CB-CB 4.07Å; A10-A25 WeakPolarHBondContact O-CB 3.43Å; A10-A25 PolarHBondContact O-N 2.9Å; A10-P105 CarbonylContact C-O 3.55Å; A10-P105 VanDerWaalsContact CA-O 3.3Å; A10-P105 WeakPolarHBondContact CA-O 3.48Å; A10-P105 HydrophobicContact CB-CB 4.04Å; A10-A350 HydrophobicContact CB-CB 4.15Å; A10-W359 HydrophobicContact CB-CH2 3.93Å; A10-W359 HydrophobicContact CB-CZ2 3.73Å
11L98.4Very high77.8Confident0 Ų067.4 Ų67.40%037%0.373CS..EExtended strand (participates in β ladder)trans-95.2140.7173.6-58.8176000109.7G23 F24 F93 L97 V99 H104 P105 V106 L107L11-G23 WeakPolarHBondContact CA-O 3.34Å; L11-F24 HydrophobicContact CD2-CD1 3.58Å; L11-F24 HydrophobicContact CD2-CD2 4.28Å; L11-F24 HydrophobicContact CD2-CE1 3.58Å; L11-F24 HydrophobicContact CD2-CE2 4.26Å; L11-F24 HydrophobicContact CD2-CG 3.99Å; L11-F24 HydrophobicContact CD2-CZ 3.97Å; L11-F93 HydrophobicContact CD1-CD1 3.82Å; L11-F93 HydrophobicContact CD1-CE1 3.68Å; L11-L97 HydrophobicContact CD1-CD1 4.37Å; L11-L97 HydrophobicContact CD2-CD1 4.04Å; L11-V99 HydrophobicContact CD1-CG2 3.7Å; L11-H104 HydrophobicContact CD1-CB 3.78Å; L11-H104 HydrophobicContact CG-CB 3.77Å; L11-P105 PolarHBondContact N-O 2.84Å; L11-V106 HydrophobicContact CB-CG2 4.48Å; L11-L107 PolarHBondContact O-N 2.92Å
12V98.7Very high81Confident0 Ų055.8 Ų55.80%032%0.316CS..EExtended strand (participates in β ladder)trans-117.4123.2175.9178.60000108.3A22 G23 A25 L107 W343 A350V12-A22 VanDerWaalsContact O-CA 3.26Å; V12-A22 WeakPolarHBondContact O-CA 3.25Å; V12-G23 PolarHBondContact N-O 3.12Å; V12-G23 PolarHBondContact O-N 3.44Å; V12-A25 HydrophobicContact CG2-CB 4.31Å; V12-L107 WeakPolarHBondContact CA-O 3.11Å; V12-L107 HydrophobicContact CG1-CD2 4.19Å; V12-L107 HydrophobicContact CG2-CB 4.36Å; V12-W343 HydrophobicContact CG1-CG 4.27Å; V12-W343 PolarHBondContact O-NE1 3.44Å; V12-A350 HydrophobicContact CG2-CB 4.15Å
13I98.7Very high84Confident0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-123.6108.4179.3-54.3174.6000109.3K21 A22 T92 F93 V106 L107 L108 T109I13-K21 CarbonylContact C-O 3.47Å; I13-K21 WeakPolarHBondContact CA-O 3.22Å; I13-A22 HydrophobicContact CG1-CB 4.23Å; I13-T92 HydrophobicContact CD1-CG2 3.95Å; I13-T92 HydrophobicContact CG1-CG2 4.15Å; I13-F93 HydrophobicContact CD1-CE1 3.65Å; I13-F93 HydrophobicContact CD1-CE2 4.47Å; I13-F93 HydrophobicContact CD1-CZ 3.62Å; I13-V106 HydrophobicContact CD1-CG1 3.99Å; I13-V106 HydrophobicContact CG1-CG1 4.46Å; I13-L107 PolarHBondContact N-O 3.39Å; I13-L108 HydrophobicContact CB-CD2 3.86Å; I13-L108 HydrophobicContact CD1-CD2 4.04Å; I13-L108 HydrophobicContact CG1-CD2 4.38Å; I13-L108 HydrophobicContact CG2-CD2 4.38Å; I13-T109 PolarHBondContact O-N 2.96Å
14D98.5Very high86.9Confident4 Ų441.5 Ų41.52%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-85.3106.7172171.427.7000110.6G16 C20 K21 T109 Q140 V342 W343D14-G16 PolarHBondContact O-N 3.19Å; D14-G16 VanDerWaalsContact O-N 3.12Å; D14-C20 WeakPolarHBondContact O-CA 3.39Å; D14-K21 HydrophobicContact CB-CB 4.17Å; D14-K21 PolarHBondContact N-O 2.95Å; D14-K21 PolarHBondContact O-N 2.93Å; D14-K21 VanDerWaalsContact O-N 3.1Å; D14-K21 IonicContact OD2-NZ 3.39Å; D14-K21 PolarHBondContact OD2-NZ 2.74Å; D14-T109 VanDerWaalsContact CA-OG1 3.28Å; D14-T109 WeakPolarHBondContact CA-OG1 3.44Å; D14-T109 HydrophobicContact CB-CG2 4.14Å; D14-T109 PolarHBondContact OD1-OG1 2.87Å; D14-T109 VanDerWaalsContact OD1-OG1 3.14Å; D14-Q140 PolarHBondContact OD1-NE2 3.05Å; D14-V342 HydrophobicContact CB-CG1 4.1Å; D14-V342 WeakPolarHBondContact OD1-CG1 3.26Å; D14-W343 HydrophobicContact CB-CB 4.19Å
15N97Very high89.4Confident12 Ų1233.6 Ų33.66%0.06421%0.205CC..EExtended strand (participates in β ladder)trans-83.875.4-177.6-58.8-57.7000111.3I74 M85 W89 T109 Q140N15-I74 HydrophobicContact CB-CD1 4.12Å; N15-M85 HydrophobicContact CB-CE 4.31Å; N15-M85 VanDerWaalsContact OD1-CE 3.25Å; N15-M85 WeakPolarHBondContact OD1-CE 3.32Å; N15-W89 PolarHBondContact OD1-NE1 3.27Å; N15-T109 PolarHBondContact N-OG1 2.84Å; N15-T109 PolarHBondContact ND2-O 2.86Å; N15-Q140 PolarHBondContact O-NE2 2.88Å
16G96.6Very high91.9Very high13 Ų1333 Ų3313%0.13420%0.199CC..  trans-82.9147.917600000113.4D14 G18 M19 S36D14-G16 PolarHBondContact O-N 3.19Å; D14-G16 VanDerWaalsContact O-N 3.12Å; G16-G18 VanDerWaalsContact C-N 3.28Å; G16-G18 PolarHBondContact O-N 2.83Å; G16-M19 VanDerWaalsContact CA-O 3.23Å; G16-M19 WeakPolarHBondContact CA-O 3.19Å; G16-M19 PolarHBondContact N-O 3.24Å; G16-S36 VanDerWaalsContact O-CB 3.26Å; G16-S36 WeakPolarHBondContact O-CB 3.5Å; G16-S36 PolarHBondContact O-OG 3.49Å
17S96.2Very high94.3Very high9 Ų926.4 Ų26.46%0.06317%0.17CC..SBendtrans-64.9-27.8178.7-51.20000115I74 G77 R186S17-I74 WeakPolarHBondContact OG-CG2 3.34Å; S17-G77 WeakPolarHBondContact OG-CA 3.42Å; S17-G77 PolarHBondContact OG-N 3.17Å; S17-R186 PolarHBondContact O-NH2 3.28Å
18G95.7Very high96.1Very high14 Ų1427 Ų2714%0.14417%0.173CC..SBendtrans-100.4-39.7176.600000112.7G16 P35 S36 D160G16-G18 VanDerWaalsContact C-N 3.28Å; G16-G18 PolarHBondContact O-N 2.83Å; G18-P35 WeakPolarHBondContact O-CA 3.36Å; G18-S36 PolarHBondContact O-N 3.1Å; G18-D160 WeakPolarHBondContact CA-OD2 3.41Å
19M97.4Very high97Very high68 Ų6826.7 Ų26.734%0.33517%0.173SC..EExtended strand (participates in β ladder)trans-138.2132.7-173.6-57.4-62.4-68.400110.7G16 V33 F34 P35G16-M19 VanDerWaalsContact CA-O 3.23Å; G16-M19 WeakPolarHBondContact CA-O 3.19Å; G16-M19 PolarHBondContact N-O 3.24Å; M19-V33 HydrophobicContact CE-CG1 3.72Å; M19-F34 CarbonylContact C-O 3.54Å; M19-F34 WeakPolarHBondContact CA-O 3.35Å; M19-P35 HydrophobicContact CE-CG 4.32Å; M19-P35 HydrophobicContact SD-CB 4.28Å; M19-P35 HydrophobicContact SD-CG 4.11Å
20C98.3Very high97.3Very high1 Ų124.5 Ų24.51%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-89.2138.5166.8-179.10000108.4D14 V33 F34 S36 I88D14-C20 WeakPolarHBondContact O-CA 3.39Å; C20-V33 WeakPolarHBondContact O-CA 3.45Å; C20-F34 HydrophobicContact CB-CD1 4.48Å; C20-F34 HydrophobicContact CB-CD2 4.32Å; C20-F34 HydrophobicContact CB-CE1 3.96Å; C20-F34 HydrophobicContact CB-CE2 3.78Å; C20-F34 HydrophobicContact CB-CZ 3.58Å; C20-F34 PolarHBondContact N-O 3.21Å; C20-F34 PolarHBondContact O-N 3.4Å; C20-S36 PolarHBondContact N-OG 3.1Å; C20-I88 HydrophobicContact CB-CG2 4.48Å
21K98.6Very high97.3Very high25 Ų2531.2 Ų31.211%0.10918%0.181CC..EExtended strand (participates in β ladder)trans-128.5130.7176.4-43.4178.5-168.267.80109.1I13 D14 P30 A32 V33 K339 Y340 W343I13-K21 CarbonylContact C-O 3.47Å; I13-K21 WeakPolarHBondContact CA-O 3.22Å; D14-K21 HydrophobicContact CB-CB 4.17Å; D14-K21 PolarHBondContact N-O 2.95Å; D14-K21 PolarHBondContact O-N 2.93Å; D14-K21 VanDerWaalsContact O-N 3.1Å; D14-K21 IonicContact OD2-NZ 3.39Å; D14-K21 PolarHBondContact OD2-NZ 2.74Å; K21-P30 HydrophobicContact CB-CB 4.03Å; K21-P30 HydrophobicContact CB-CG 4.32Å; K21-A32 CarbonylContact C-O 3.52Å; K21-A32 VanDerWaalsContact CA-O 3.32Å; K21-A32 WeakPolarHBondContact CA-O 3.46Å; K21-V33 HydrophobicContact CB-CG2 4.27Å; K21-V33 HydrophobicContact CG-CG1 4.24Å; K21-V33 HydrophobicContact CG-CG2 4.16Å; K21-K339 WeakPolarHBondContact CE-O 3.28Å; K21-Y340 HydrophobicContact CD-CD1 3.74Å; K21-Y340 HydrophobicContact CD-CE1 4.3Å; K21-W343 HydrophobicContact CB-CB 4.41Å; K21-W343 HydrophobicContact CB-CG 4.36Å
22A98.7Very high97.3Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-141.4151.2-17500000112.1V12 I13 P30 R31 A32 T92 L97V12-A22 VanDerWaalsContact O-CA 3.26Å; V12-A22 WeakPolarHBondContact O-CA 3.25Å; I13-A22 HydrophobicContact CG1-CB 4.23Å; A22-P30 CarbonylContact O-C 3.59Å; A22-R31 PolarHBondContact O-N 2.79Å; A22-A32 PolarHBondContact N-O 2.93Å; A22-A32 PolarHBondContact O-N 3.01Å; A22-T92 HydrophobicContact CB-CG2 3.29Å; A22-L97 HydrophobicContact CB-CD1 4.02Å; A22-L97 HydrophobicContact CB-CD2 4.27Å; A22-L97 HydrophobicContact CB-CG 4.27Å
23G98.4Very high97.3Very high0 Ų033.8 Ų33.80%020%0.197CC..EExtended strand (participates in β ladder)trans175.8-170.3178.200000111.2L11 V12L11-G23 WeakPolarHBondContact CA-O 3.34Å; V12-G23 PolarHBondContact N-O 3.12Å; V12-G23 PolarHBondContact O-N 3.44Å
24F98.1Very high97.3Very high21 Ų2133.8 Ų33.89%0.09220%0.197CC..EExtended strand (participates in β ladder)trans-96.5144.4-177.9-64.4-104.4000110.2A10 L11 D27 R31 V99 H104A10-F24 CarbonylContact O-C 3.55Å; A10-F24 WeakPolarHBondContact O-CA 3.47Å; L11-F24 HydrophobicContact CD2-CD1 3.58Å; L11-F24 HydrophobicContact CD2-CD2 4.28Å; L11-F24 HydrophobicContact CD2-CE1 3.58Å; L11-F24 HydrophobicContact CD2-CE2 4.26Å; L11-F24 HydrophobicContact CD2-CG 3.99Å; L11-F24 HydrophobicContact CD2-CZ 3.97Å; F24-D27 WeakPolarHBondContact O-CB 3.42Å; F24-D27 PolarHBondContact O-N 3.34Å; F24-R31 HydrophobicContact CD2-CG 4.42Å; F24-V99 HydrophobicContact CE1-CG1 4.2Å; F24-V99 HydrophobicContact CZ-CG1 3.58Å; F24-H104 AromaticContact CE1-CE1 3.91Å
25A96.8Very high97.2Very high15 Ų1534.3 Ų34.312%0.12420%0.201CC..THydrogen-bonded Turntrans-60.1136.9170.900000110.3A10 V12 A350A10-A25 HydrophobicContact CB-CB 4.07Å; A10-A25 WeakPolarHBondContact O-CB 3.43Å; A10-A25 PolarHBondContact O-N 2.9Å; V12-A25 HydrophobicContact CG2-CB 4.31Å; A25-A350 HydrophobicContact CB-CB 3.6Å
26G94.7Very high97.3Very high50 Ų5033.8 Ų33.852%0.51520%0.198SC..THydrogen-bonded Turntrans90.8-14.6-17400000114.7S347G26-S347 PolarHBondContact N-OG 3.35Å
27D96.3Very high97.3Very high48 Ų4833.3 Ų33.326%0.25719%0.193SC..  trans-73.7145.3170.5-71.4-12.8000110.1F24 A29 R31 W343 S347F24-D27 WeakPolarHBondContact O-CB 3.42Å; F24-D27 PolarHBondContact O-N 3.34Å; D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 3.49Å; D27-R31 IonicContact OD1-NH2 3.77Å; D27-R31 PolarHBondContact OD1-NH2 2.79Å; D27-R31 IonicContact OD2-CZ 2.83Å; D27-R31 IonicContact OD2-NE 3.51Å; D27-R31 PolarHBondContact OD2-NE 3.05Å; D27-R31 IonicContact OD2-NH2 3.6Å; D27-R31 PolarHBondContact OD2-NH2 3.21Å; D27-W343 HydrophobicContact CB-CH2 3.9Å; D27-W343 WeakPolarHBondContact O-CH2 3.45Å; D27-W343 WeakPolarHBondContact O-CZ3 3.32Å; D27-S347 PolarHBondContact N-OG 3.22Å; D27-S347 PolarHBondContact O-OG 2.97Å
28D94.2Very high97.4Very high156 Ų15632.9 Ų32.983%0.83419%0.19SC*.SBendtrans-73.8-18.8-179.1-68.6-39.8000113.7
29A96.6Very high97.4Very high51 Ų5132.2 Ų32.242%0.42118%0.183SC..SBendtrans-150.9153.9-177.400000111D27 R31 W343D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 3.49Å; A29-R31 PolarHBondContact O-N 2.87Å; A29-W343 VanDerWaalsContact C-CH2 3.42Å; A29-W343 VanDerWaalsContact O-CH2 3.29Å; A29-W343 WeakPolarHBondContact O-CH2 3.28Å
30P98Very high97.2Very high18 Ų1830.5 Ų30.512%0.11718%0.177CC..  trans-61.3138.3176.225.8-34.2000110.7K21 A22 A32 V33 Y340 W343K21-P30 HydrophobicContact CB-CB 4.03Å; K21-P30 HydrophobicContact CB-CG 4.32Å; A22-P30 CarbonylContact O-C 3.59Å; P30-A32 VanDerWaalsContact C-N 3.31Å; P30-V33 HydrophobicContact CB-CG2 3.98Å; P30-V33 HydrophobicContact CG-CG2 3.52Å; P30-Y340 HydrophobicContact CG-CD1 4.25Å; P30-Y340 HydrophobicContact CG-CG 4.43Å; P30-W343 HydrophobicContact CB-CD2 3.75Å; P30-W343 HydrophobicContact CB-CE3 4.19Å; P30-W343 HydrophobicContact CB-CG 4.03Å; P30-W343 HydrophobicContact CB-CZ2 4.43Å; P30-W343 HydrophobicContact CG-CD2 4.3Å; P30-W343 HydrophobicContact CG-CE3 4.39Å
31R97.9Very high96.9Very high150 Ų15032.7 Ų32.757%0.56619%0.192SC*.SBendtrans-71.5-28.9174.7-65.8-162.5-177177.86.1112.5A22 F24 D27 A29 L97A22-R31 PolarHBondContact O-N 2.79Å; F24-R31 HydrophobicContact CD2-CG 4.42Å; D27-R31 IonicContact OD1-NH2 3.77Å; D27-R31 PolarHBondContact OD1-NH2 2.79Å; D27-R31 IonicContact OD2-CZ 2.83Å; D27-R31 IonicContact OD2-NE 3.51Å; D27-R31 PolarHBondContact OD2-NE 3.05Å; D27-R31 IonicContact OD2-NH2 3.6Å; D27-R31 PolarHBondContact OD2-NH2 3.21Å; A29-R31 PolarHBondContact O-N 2.87Å; R31-L97 HydrophobicContact CB-CD2 3.96Å
32A98.2Very high96.3Very high5 Ų537.6 Ų37.64%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-133.8137.3-179.800000110.8K21 A22 P30 F34 E96K21-A32 CarbonylContact C-O 3.52Å; K21-A32 VanDerWaalsContact CA-O 3.32Å; K21-A32 WeakPolarHBondContact CA-O 3.46Å; A22-A32 PolarHBondContact N-O 2.93Å; A22-A32 PolarHBondContact O-N 3.01Å; P30-A32 VanDerWaalsContact C-N 3.31Å; A32-F34 HydrophobicContact CB-CD1 4.37Å; A32-E96 HydrophobicContact CB-CB 3.66Å; A32-E96 HydrophobicContact CB-CG 4.22Å
33V98.2Very high95.5Very high49 Ų4944 Ų4430%0.29724%0.239SC..EExtended strand (participates in β ladder)trans-141109.21741790000107.5M19 C20 K21 P30 Y340M19-V33 HydrophobicContact CE-CG1 3.72Å; C20-V33 WeakPolarHBondContact O-CA 3.45Å; K21-V33 HydrophobicContact CB-CG2 4.27Å; K21-V33 HydrophobicContact CG-CG1 4.24Å; K21-V33 HydrophobicContact CG-CG2 4.16Å; P30-V33 HydrophobicContact CB-CG2 3.98Å; P30-V33 HydrophobicContact CG-CG2 3.52Å; V33-Y340 HydrophobicContact CG2-CE1 4.12Å
34F98.3Very high94.3Very high0 Ų053.7 Ų53.70%028%0.284CS..EExtended strand (participates in β ladder)trans-141.6157.9-173.863.9-89.9000111.5M19 C20 A32 V57 I88 H91 T92 E96M19-F34 CarbonylContact C-O 3.54Å; M19-F34 WeakPolarHBondContact CA-O 3.35Å; C20-F34 HydrophobicContact CB-CD1 4.48Å; C20-F34 HydrophobicContact CB-CD2 4.32Å; C20-F34 HydrophobicContact CB-CE1 3.96Å; C20-F34 HydrophobicContact CB-CE2 3.78Å; C20-F34 HydrophobicContact CB-CZ 3.58Å; C20-F34 PolarHBondContact N-O 3.21Å; C20-F34 PolarHBondContact O-N 3.4Å; A32-F34 HydrophobicContact CB-CD1 4.37Å; F34-V57 HydrophobicContact CE2-CG1 4.28Å; F34-I88 HydrophobicContact CE2-CG2 4.15Å; F34-I88 HydrophobicContact CZ-CG2 4.25Å; F34-H91 AromaticContact CE2-CD2 3.78Å; F34-H91 AromaticContact CZ-CD2 3.98Å; F34-T92 VanDerWaalsContact CZ-OG1 3.31Å; F34-T92 WeakPolarHBondContact CZ-OG1 3.08Å; F34-E96 HydrophobicContact CD1-CG 3.79Å; F34-E96 HydrophobicContact CE1-CB 4.48Å; F34-E96 HydrophobicContact CE1-CG 3.77Å
35P97.7Very high92.9Very high16 Ų1654.6 Ų54.610%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-61.4135.3-179.7-25.535.3000113.5G18 M19 I37 G58 D59G18-P35 WeakPolarHBondContact O-CA 3.36Å; M19-P35 HydrophobicContact CE-CG 4.32Å; M19-P35 HydrophobicContact SD-CB 4.28Å; M19-P35 HydrophobicContact SD-CG 4.11Å; P35-I37 HydrophobicContact CB-CD1 3.98Å; P35-I37 HydrophobicContact CB-CG1 3.98Å; P35-I37 HydrophobicContact CB-CG2 4.35Å; P35-I37 PolarHBondContact O-N 2.66Å; P35-G58 WeakPolarHBondContact O-CA 3.21Å; P35-D59 WeakPolarHBondContact CD-OD1 3.37Å
36S97.8Very high91.1Very high1 Ų158 Ų581%0.00732%0.319CS..  trans-78.761.5177.8-60.70000112G16 G18 C20G16-S36 VanDerWaalsContact O-CB 3.26Å; G16-S36 WeakPolarHBondContact O-CB 3.5Å; G16-S36 PolarHBondContact O-OG 3.49Å; G18-S36 PolarHBondContact O-N 3.1Å; C20-S36 PolarHBondContact N-OG 3.1Å
37I97.4Very high89.6Confident2 Ų256.6 Ų56.61%0.0130%0.299CS..  trans-131.3149.7-174.167.7-178.6000112.2P35 V57 G58 A61 Q62 L70 K71 Y72P35-I37 HydrophobicContact CB-CD1 3.98Å; P35-I37 HydrophobicContact CB-CG1 3.98Å; P35-I37 HydrophobicContact CB-CG2 4.35Å; P35-I37 PolarHBondContact O-N 2.66Å; I37-V57 WeakPolarHBondContact O-CA 3.34Å; I37-G58 PolarHBondContact O-N 3.49Å; I37-G58 VanDerWaalsContact O-N 3.13Å; I37-A61 HydrophobicContact CD1-CB 4.04Å; I37-A61 HydrophobicContact CG1-CB 3.98Å; I37-Q62 HydrophobicContact CD1-CB 4.04Å; I37-Q62 VanDerWaalsContact CD1-OE1 3.25Å; I37-L70 HydrophobicContact CD1-CD1 4.14Å; I37-L70 HydrophobicContact CD1-CD2 4.45Å; I37-K71 WeakPolarHBondContact CA-O 3.27Å; I37-Y72 HydrophobicContact CG2-CD1 3.51Å; I37-Y72 HydrophobicContact CG2-CE1 3.31Å; I37-Y72 HydrophobicContact CG2-CG 4.31Å
38V97.9Very high87.7Confident0 Ų060.6 Ų60.60%033%0.325CS..EExtended strand (participates in β ladder)trans-121131.2169.8-177.80000108.8Y56 V57 L70 K71 D84 K87 I88V38-Y56 CarbonylContact C-O 3.29Å; V38-Y56 WeakPolarHBondContact CA-O 3.4Å; V38-V57 HydrophobicContact CG2-CG2 4.37Å; V38-L70 CarbonylContact O-C 3.51Å; V38-L70 WeakPolarHBondContact O-CA 3.21Å; V38-K71 PolarHBondContact N-O 3.32Å; V38-K71 PolarHBondContact O-N 3.39Å; V38-D84 HydrophobicContact CB-CB 4.23Å; V38-D84 HydrophobicContact CG2-CB 3.82Å; V38-D84 WeakPolarHBondContact CG2-O 3.1Å; V38-K87 HydrophobicContact CG1-CD 3.95Å; V38-K87 HydrophobicContact CG2-CB 4.4Å; V38-I88 HydrophobicContact CG2-CD1 4.39Å; V38-I88 HydrophobicContact CG2-CG1 3.97Å
39G96.1Very high86.2Confident0 Ų057.2 Ų57.20%033%0.327CS..EExtended strand (participates in β ladder)trans-115.5127.4178.700000112.3S55 Y56 T69G39-S55 CarbonylContact O-C 3.55Å; G39-S55 WeakPolarHBondContact O-CA 2.93Å; G39-Y56 PolarHBondContact N-O 2.91Å; G39-Y56 PolarHBondContact O-N 2.74Å; G39-T69 WeakPolarHBondContact CA-O 3.17Å
40C93.7Very high84.4Confident33 Ų3361.1 Ų61.122%0.22334%0.338CS..EExtended strand (participates in β ladder)trans-109.7140.1173.7-60.20000110.6R42 L68 T69C40-R42 PolarHBondContact O-N 3.44Å; C40-L68 CarbonylContact O-C 3.18Å; C40-L68 WeakPolarHBondContact O-CA 3.35Å; C40-T69 PolarHBondContact N-O 3.13Å; C40-T69 PolarHBondContact O-N 3.48Å
41P91.1Very high82.7Confident47 Ų4763.5 Ų63.531%0.30537%0.366SS..EExtended strand (participates in β ladder)trans-55.4131.5175.9-26.435.3000113H43 D54 Y56 L68P41-H43 VanDerWaalsContact C-N 3.33Å; P41-D54 VanDerWaalsContact CD-O 3.31Å; P41-D54 WeakPolarHBondContact CD-O 3.22Å; P41-Y56 HydrophobicContact CG-CE2 4.15Å; P41-L68 HydrophobicContact CB-CD2 4.37Å; P41-L68 HydrophobicContact CG-CD2 4.11Å
42R86.4Confident81.3Confident128 Ų12862.5 Ų62.548%0.48337%0.368SS..SBendtrans-68.3-32.4178.5-74.1180-174.1-170.74.1113.6C40 I67 L68 T69C40-R42 PolarHBondContact O-N 3.44Å; R42-I67 PolarHBondContact N-O 2.98Å; R42-I67 VanDerWaalsContact N-O 3.14Å; R42-L68 PolarHBondContact NE-O 3.15Å; R42-L68 PolarHBondContact NH2-O 3.09Å; R42-T69 WeakPolarHBondContact CG-OG1 3.22Å
43H82Confident80.6Confident134 Ų13466.8 Ų66.862%0.6239%0.385SS*.SBendtrans-136135-179.5-54.9-66.4000108.9P41 V46P41-H43 VanDerWaalsContact C-N 3.33Å; H43-V46 HydrophobicContact CB-CG2 3.62Å
44Q72.7Confident80.1Confident203 Ų20371.5 Ų71.595%0.94941%0.409SS*.THydrogen-bonded Turntrans-64.2137.4172-70.6178.9-18.600109.5
45G68.2Low79.9Confident40 Ų4073 Ų7341%0.41242%0.419SS..THydrogen-bonded Turntrans87.5-4.4174.900000117.1M47 V48G45-M47 PolarHBondContact O-N 2.87Å; G45-V48 WeakPolarHBondContact O-CG2 3.3Å
46V60.3Low79.8Confident87 Ų8772.4 Ų72.453%0.52742%0.415SS..  trans-64.4-27.6177.6176.20000112.2H43 V48 I67H43-V46 HydrophobicContact CB-CG2 3.62Å; V46-V48 PolarHBondContact O-N 3.2Å; V46-I67 HydrophobicContact CG1-CG2 4.43Å
47M61.9Low79.8Confident20 Ų2072.8 Ų72.810%0.09942%0.417CS..  trans-97.277.9179.2-57.6-177.484.800109.5G45 M50 Q52 Y56 K64 I67G45-M47 PolarHBondContact O-N 2.87Å; M47-M50 HydrophobicContact CE-CB 4.33Å; M47-Q52 HydrophobicContact CB-CG 4.33Å; M47-Q52 WeakPolarHBondContact O-CG 3.46Å; M47-Q52 PolarHBondContact O-NE2 3.11Å; M47-Y56 HydrophobicContact CE-CE2 4.39Å; M47-Y56 VanDerWaalsContact CE-OH 3.22Å; M47-Y56 WeakPolarHBondContact CE-OH 3.43Å; M47-Y56 HydrophobicContact SD-CE2 3.9Å; M47-Y56 PolarHBondContact SD-OH 3.5Å; M47-K64 HydrophobicContact CE-CD 4Å; M47-I67 HydrophobicContact CE-CD1 4.27Å; M47-I67 HydrophobicContact CG-CD1 4.15Å; M47-I67 HydrophobicContact SD-CD1 4.18Å
48V57.8Low79.8Confident133 Ų13372.7 Ų72.781%0.80642%0.417SS*.SBendtrans-84.6119.3167.7-175.80000107.8G45 V46G45-V48 WeakPolarHBondContact O-CG2 3.3Å; V46-V48 PolarHBondContact O-N 3.2Å
49G61.4Low79.7Confident85 Ų8576.9 Ų76.988%0.87644%0.439SS*.SBendtrans94.5-13.9173.200000116.9
50M58.6Low79.7Confident132 Ų13279.5 Ų79.565%0.6545%0.451SS*.SBendtrans-103.8120.7163.7-72.2-176.115900107M47 Q52M47-M50 HydrophobicContact CE-CB 4.33Å; M50-Q52 PolarHBondContact O-N 3.15Å; M50-Q52 VanDerWaalsContact O-N 3.12Å
51G63.1Low79.8Confident68 Ų6878 Ų7870%0.70144%0.441SS*.  trans-40.5120.1-173.800000112.7K53G51-K53 PolarHBondContact O-N 3.1Å
52Q69.2Low79.9Confident130 Ų13077.8 Ų77.861%0.60744%0.436SS*.  trans-69.9101.4-177.6-75-177.9-10.400109.1M47 M50M47-Q52 HydrophobicContact CB-CG 4.33Å; M47-Q52 WeakPolarHBondContact O-CG 3.46Å; M47-Q52 PolarHBondContact O-NE2 3.11Å; M50-Q52 PolarHBondContact O-N 3.15Å; M50-Q52 VanDerWaalsContact O-N 3.12Å
53K83.1Confident80.2Confident94 Ų9476.2 Ų76.241%0.40945%0.445SS..  trans-88.3144.3163-60-177.1-173.31710109.4G51 S55 Y56 E60G51-K53 PolarHBondContact O-N 3.1Å; K53-S55 VanDerWaalsContact C-N 3.26Å; K53-S55 PolarHBondContact O-N 2.87Å; K53-Y56 HydrophobicContact CB-CE1 3.94Å; K53-Y56 HydrophobicContact CB-CE2 4.42Å; K53-Y56 HydrophobicContact CD-CD1 4.2Å; K53-Y56 HydrophobicContact CD-CE1 3.9Å; K53-Y56 HydrophobicContact CG-CE1 4.17Å; K53-Y56 PolarHBondContact N-OH 2.79Å; K53-E60 IonicContact NZ-OE1 2.76Å; K53-E60 IonicContact NZ-OE2 3.82Å; K53-E60 PolarHBondContact NZ-OE2 3.13Å
54D87.4Confident80.6Confident149 Ų14971.9 Ų71.980%0.79742%0.424SS*.SBendtrans-69.2-27.4174.4-65.7-34.7000112.5P41P41-D54 VanDerWaalsContact CD-O 3.31Å; P41-D54 WeakPolarHBondContact CD-O 3.22Å
55S93.8Very high81.5Confident31 Ų3162.8 Ų62.822%0.21738%0.381CS..  trans-147.2151.3177.858.30000112.5G39 K53G39-S55 CarbonylContact O-C 3.55Å; G39-S55 WeakPolarHBondContact O-CA 2.93Å; K53-S55 VanDerWaalsContact C-N 3.26Å; K53-S55 PolarHBondContact O-N 2.87Å
56Y95.7Very high82.4Confident3 Ų363.9 Ų63.91%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-119.9151.5174.2-60.1-81000109V38 G39 P41 M47 K53 E60 K64 L68V38-Y56 CarbonylContact C-O 3.29Å; V38-Y56 WeakPolarHBondContact CA-O 3.4Å; G39-Y56 PolarHBondContact N-O 2.91Å; G39-Y56 PolarHBondContact O-N 2.74Å; P41-Y56 HydrophobicContact CG-CE2 4.15Å; M47-Y56 HydrophobicContact CE-CE2 4.39Å; M47-Y56 VanDerWaalsContact CE-OH 3.22Å; M47-Y56 WeakPolarHBondContact CE-OH 3.43Å; M47-Y56 HydrophobicContact SD-CE2 3.9Å; M47-Y56 PolarHBondContact SD-OH 3.5Å; K53-Y56 HydrophobicContact CB-CE1 3.94Å; K53-Y56 HydrophobicContact CB-CE2 4.42Å; K53-Y56 HydrophobicContact CD-CD1 4.2Å; K53-Y56 HydrophobicContact CD-CE1 3.9Å; K53-Y56 HydrophobicContact CG-CE1 4.17Å; K53-Y56 PolarHBondContact N-OH 2.79Å; Y56-E60 HydrophobicContact CD1-CG 3.71Å; Y56-E60 WeakPolarHBondContact CD1-OE1 3.45Å; Y56-E60 HydrophobicContact CE1-CG 4.45Å; Y56-E60 WeakPolarHBondContact CE1-OE1 3.31Å; Y56-K64 HydrophobicContact CD1-CD 4.14Å; Y56-K64 HydrophobicContact CE1-CD 4.12Å; Y56-K64 HydrophobicContact CG-CD 4.38Å; Y56-L68 HydrophobicContact CD2-CD1 3.65Å; Y56-L68 HydrophobicContact CD2-CD2 3.7Å; Y56-L68 HydrophobicContact CD2-CG 4.36Å; Y56-L68 HydrophobicContact CE2-CD2 3.98Å; Y56-L68 HydrophobicContact CG-CD1 4.01Å
57V97.9Very high83.8Confident10 Ų1063.1 Ų63.16%0.06138%0.384CS..EExtended strand (participates in β ladder)trans-129.8150.8-178.4-178.80000109.6F34 I37 V38 E60 A61 K87 I88 H91F34-V57 HydrophobicContact CE2-CG1 4.28Å; I37-V57 WeakPolarHBondContact O-CA 3.34Å; V38-V57 HydrophobicContact CG2-CG2 4.37Å; V57-E60 PolarHBondContact O-N 3.06Å; V57-A61 PolarHBondContact O-N 2.98Å; V57-K87 HydrophobicContact CG2-CB 4.13Å; V57-I88 HydrophobicContact CG1-CG1 3.98Å; V57-H91 HydrophobicContact CB-CB 3.86Å; V57-H91 HydrophobicContact CG1-CB 3.64Å; V57-H91 HydrophobicContact CG2-CB 4.2Å
58G97.3Very high85.2Confident0 Ų062.1 Ų62.10%038%0.38CS..Hα-helixtrans62.4-136168.300000113.8P35 I37 E60 A61 Q62P35-G58 WeakPolarHBondContact O-CA 3.21Å; I37-G58 PolarHBondContact O-N 3.49Å; I37-G58 VanDerWaalsContact O-N 3.13Å; G58-E60 PolarHBondContact O-N 3.27Å; G58-A61 WeakPolarHBondContact O-CB 3.06Å; G58-A61 PolarHBondContact O-N 3.02Å; G58-A61 VanDerWaalsContact O-N 3.09Å; G58-Q62 WeakPolarHBondContact O-CB 3.44Å; G58-Q62 PolarHBondContact O-N 3.43Å
59D96.7Very high86.9Confident87 Ų8759 Ų5947%0.46536%0.361SS..Hα-helixtrans-62.8-29.6-178.7-67.1-41.4000112.6P35 Q62 S63P35-D59 WeakPolarHBondContact CD-OD1 3.37Å; D59-Q62 PolarHBondContact O-N 3.41Å; D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 3.13Å; D59-S63 PolarHBondContact O-OG 3.37Å
60E94.9Very high88.5Confident56 Ų5656.4 Ų56.426%0.26233%0.327SS..Hα-helixtrans-66.6-41.7174.4-165.6-179.6-17900111K53 Y56 V57 G58 S63 K64K53-E60 IonicContact NZ-OE1 2.76Å; K53-E60 IonicContact NZ-OE2 3.82Å; K53-E60 PolarHBondContact NZ-OE2 3.13Å; Y56-E60 HydrophobicContact CD1-CG 3.71Å; Y56-E60 WeakPolarHBondContact CD1-OE1 3.45Å; Y56-E60 HydrophobicContact CE1-CG 4.45Å; Y56-E60 WeakPolarHBondContact CE1-OE1 3.31Å; V57-E60 PolarHBondContact O-N 3.06Å; G58-E60 PolarHBondContact O-N 3.27Å; E60-S63 PolarHBondContact O-OG 3.35Å; E60-K64 HydrophobicContact CG-CD 4.39Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 IonicContact OE1-NZ 3.12Å; E60-K64 PolarHBondContact OE1-NZ 2.76Å
61A95.6Very high90.3Very high0 Ų054.5 Ų54.50%032%0.315CS..Hα-helixtrans-67.6-39.8173.500000111.5I37 V57 G58 K64 R65 L68 L70I37-A61 HydrophobicContact CD1-CB 4.04Å; I37-A61 HydrophobicContact CG1-CB 3.98Å; V57-A61 PolarHBondContact O-N 2.98Å; G58-A61 WeakPolarHBondContact O-CB 3.06Å; G58-A61 PolarHBondContact O-N 3.02Å; G58-A61 VanDerWaalsContact O-N 3.09Å; A61-K64 CarbonylContact O-C 3.59Å; A61-K64 PolarHBondContact O-N 3.25Å; A61-R65 PolarHBondContact O-N 2.82Å; A61-R65 VanDerWaalsContact O-N 3.13Å; A61-L68 HydrophobicContact CB-CD1 4.39Å; A61-L70 HydrophobicContact CB-CD2 4.04Å
62Q94Very high91.9Very high43 Ų4354.5 Ų54.520%0.20129%0.294CS..Hα-helixtrans-62.7-48.6-179.4-172.661.21700112.1I37 G58 D59 K64 R65 E210I37-Q62 HydrophobicContact CD1-CB 4.04Å; I37-Q62 VanDerWaalsContact CD1-OE1 3.25Å; G58-Q62 WeakPolarHBondContact O-CB 3.44Å; G58-Q62 PolarHBondContact O-N 3.43Å; D59-Q62 PolarHBondContact O-N 3.41Å; Q62-K64 PolarHBondContact O-N 3.03Å; Q62-R65 VanDerWaalsContact O-CB 3.26Å; Q62-R65 WeakPolarHBondContact O-CB 3.24Å; Q62-R65 PolarHBondContact O-N 2.96Å; Q62-E210 VanDerWaalsContact NE2-CD 3.35Å; Q62-E210 VanDerWaalsContact NE2-CG 3.29Å; Q62-E210 PolarHBondContact NE2-OE2 2.99Å
63S92.3Very high93.3Very high96 Ų9648.4 Ų48.467%0.67127%0.266SS*.Hα-helixtrans-63.4-26.4178.859.60000113.2D59 E60D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 3.13Å; D59-S63 PolarHBondContact O-OG 3.37Å; E60-S63 PolarHBondContact O-OG 3.35Å
64K91.3Very high94Very high43 Ų4344 Ų4419%0.18725%0.247CC..THydrogen-bonded Turntrans-100.510.9179.5-65.7171.5-178.1170.80113.4M47 Y56 E60 A61 Q62 G66 I67 L68M47-K64 HydrophobicContact CE-CD 4Å; Y56-K64 HydrophobicContact CD1-CD 4.14Å; Y56-K64 HydrophobicContact CE1-CD 4.12Å; Y56-K64 HydrophobicContact CG-CD 4.38Å; E60-K64 HydrophobicContact CG-CD 4.39Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 IonicContact OE1-NZ 3.12Å; E60-K64 PolarHBondContact OE1-NZ 2.76Å; A61-K64 CarbonylContact O-C 3.59Å; A61-K64 PolarHBondContact O-N 3.25Å; Q62-K64 PolarHBondContact O-N 3.03Å; K64-G66 PolarHBondContact O-N 2.88Å; K64-I67 HydrophobicContact CB-CG1 4.28Å; K64-I67 VanDerWaalsContact O-CG1 3.27Å; K64-I67 WeakPolarHBondContact O-CG1 3.36Å; K64-I67 PolarHBondContact O-N 3.43Å; K64-L68 HydrophobicContact CB-CD1 3.59Å; K64-L68 HydrophobicContact CB-CG 3.91Å; K64-L68 WeakPolarHBondContact O-CG 3.47Å; K64-L68 PolarHBondContact O-N 3.17Å
65R90.6Very high94.4Very high12 Ų1241.4 Ų41.45%0.04523%0.23CC..THydrogen-bonded Turntrans-47.6-36.4-175.4176.6175.8-67.7-132.5-6114.7A61 Q62 I67 L68 L70 Y72 T206 E210A61-R65 PolarHBondContact O-N 2.82Å; A61-R65 VanDerWaalsContact O-N 3.13Å; Q62-R65 VanDerWaalsContact O-CB 3.26Å; Q62-R65 WeakPolarHBondContact O-CB 3.24Å; Q62-R65 PolarHBondContact O-N 2.96Å; R65-I67 PolarHBondContact O-N 3.19Å; R65-L68 PolarHBondContact O-N 2.84Å; R65-L68 VanDerWaalsContact O-O 3.13Å; R65-L70 HydrophobicContact CB-CD1 3.88Å; R65-L70 HydrophobicContact CG-CD1 3.54Å; R65-L70 HydrophobicContact CG-CG 4.25Å; R65-Y72 PolarHBondContact NH2-OH 3.09Å; R65-T206 WeakPolarHBondContact CD-O 3.36Å; R65-T206 PolarHBondContact NH1-O 2.95Å; R65-E210 IonicContact CZ-OE1 3.7Å; R65-E210 IonicContact NH1-OE1 3.15Å; R65-E210 PolarHBondContact NH1-OE1 3.31Å; R65-E210 IonicContact NH2-OE1 3.52Å; R65-E210 PolarHBondContact NH2-OE1 3.31Å
66G87.5Confident94.4Very high63 Ų6342.9 Ų42.965%0.64923%0.233SC*.THydrogen-bonded Turntrans-62.5-26.1-17900000114.8K64K64-G66 PolarHBondContact O-N 2.88Å
67I89.5Confident94.4Very high70 Ų7043.2 Ų43.236%0.35924%0.237SC..THydrogen-bonded Turntrans-113.2-2.6-179.261169.3000113.3R42 V46 M47 K64 R65R42-I67 PolarHBondContact N-O 2.98Å; R42-I67 VanDerWaalsContact N-O 3.14Å; V46-I67 HydrophobicContact CG1-CG2 4.43Å; M47-I67 HydrophobicContact CE-CD1 4.27Å; M47-I67 HydrophobicContact CG-CD1 4.15Å; M47-I67 HydrophobicContact SD-CD1 4.18Å; K64-I67 HydrophobicContact CB-CG1 4.28Å; K64-I67 VanDerWaalsContact O-CG1 3.27Å; K64-I67 WeakPolarHBondContact O-CG1 3.36Å; K64-I67 PolarHBondContact O-N 3.43Å; R65-I67 PolarHBondContact O-N 3.19Å
68L92.5Very high94.3Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-108151.1-179.6-57.9-176.8000111.5C40 P41 R42 Y56 A61 K64 R65 L70C40-L68 CarbonylContact O-C 3.18Å; C40-L68 WeakPolarHBondContact O-CA 3.35Å; P41-L68 HydrophobicContact CB-CD2 4.37Å; P41-L68 HydrophobicContact CG-CD2 4.11Å; R42-L68 PolarHBondContact NE-O 3.15Å; R42-L68 PolarHBondContact NH2-O 3.09Å; Y56-L68 HydrophobicContact CD2-CD1 3.65Å; Y56-L68 HydrophobicContact CD2-CD2 3.7Å; Y56-L68 HydrophobicContact CD2-CG 4.36Å; Y56-L68 HydrophobicContact CE2-CD2 3.98Å; Y56-L68 HydrophobicContact CG-CD1 4.01Å; A61-L68 HydrophobicContact CB-CD1 4.39Å; K64-L68 HydrophobicContact CB-CD1 3.59Å; K64-L68 HydrophobicContact CB-CG 3.91Å; K64-L68 WeakPolarHBondContact O-CG 3.47Å; K64-L68 PolarHBondContact O-N 3.17Å; R65-L68 PolarHBondContact O-N 2.84Å; R65-L68 VanDerWaalsContact O-O 3.13Å; L68-L70 HydrophobicContact CB-CD2 4Å; L68-L70 HydrophobicContact CD1-CD2 4.42Å
69T93.1Very high94.4Very high66 Ų6644.8 Ų44.841%0.40525%0.246SC..EExtended strand (participates in β ladder)trans-89.7112.8158.3-62.30000106.9G39 C40 R42G39-T69 WeakPolarHBondContact CA-O 3.17Å; C40-T69 PolarHBondContact N-O 3.13Å; C40-T69 PolarHBondContact O-N 3.48Å; R42-T69 WeakPolarHBondContact CG-OG1 3.22Å
70L94.9Very high94.4Very high31 Ų3144.3 Ų44.316%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-88.1139.1178.8-59.8-174.8000110.9I37 V38 A61 R65 L68I37-L70 HydrophobicContact CD1-CD1 4.14Å; I37-L70 HydrophobicContact CD1-CD2 4.45Å; V38-L70 CarbonylContact O-C 3.51Å; V38-L70 WeakPolarHBondContact O-CA 3.21Å; A61-L70 HydrophobicContact CB-CD2 4.04Å; R65-L70 HydrophobicContact CB-CD1 3.88Å; R65-L70 HydrophobicContact CG-CD1 3.54Å; R65-L70 HydrophobicContact CG-CG 4.25Å; L68-L70 HydrophobicContact CB-CD2 4Å; L68-L70 HydrophobicContact CD1-CD2 4.42Å
71K96.6Very high94.6Very high93 Ų9344.1 Ų44.140%0.40425%0.247SC..EExtended strand (participates in β ladder)trans-124.7149.9175.6-63.9-178.9179.9-179.60109.8I37 V38 D84I37-K71 WeakPolarHBondContact CA-O 3.27Å; V38-K71 PolarHBondContact N-O 3.32Å; V38-K71 PolarHBondContact O-N 3.39Å; K71-D84 VanDerWaalsContact CD-OD2 3.26Å; K71-D84 WeakPolarHBondContact CD-OD2 3.34Å
72Y96.5Very high94.7Very high68 Ų6846.2 Ų46.227%0.26726%0.255SS..  trans-118.496.3179.7-61.6-98.2000107.2I37 R65 I74I37-Y72 HydrophobicContact CG2-CD1 3.51Å; I37-Y72 HydrophobicContact CG2-CE1 3.31Å; I37-Y72 HydrophobicContact CG2-CG 4.31Å; R65-Y72 PolarHBondContact NH2-OH 3.09Å; Y72-I74 PolarHBondContact O-N 2.91Å; Y72-I74 VanDerWaalsContact O-N 3.14Å
73P97.7Very high94.9Very high1 Ų149.7 Ų49.71%0.00628%0.275CS..SBendtrans-69.3-8.3-176.126.7-34.2000113.8V79 T80 N81 D84 M85 I88P73-V79 CarbonylContact O-C 3.57Å; P73-V79 WeakPolarHBondContact O-CA 3.37Å; P73-T80 PolarHBondContact O-N 3.12Å; P73-T80 PolarHBondContact O-OG1 3.41Å; P73-N81 HydrophobicContact CB-CB 4.16Å; P73-N81 WeakPolarHBondContact CB-O 3.29Å; P73-N81 PolarHBondContact O-N 3.28Å; P73-D84 HydrophobicContact CB-CB 3.83Å; P73-D84 HydrophobicContact CG-CB 4.2Å; P73-M85 HydrophobicContact CB-CB 4.48Å; P73-I88 HydrophobicContact CG-CD1 3.32Å; P73-I88 HydrophobicContact CG-CG1 4.35Å
74I97.8Very high95.1Very high2 Ų245.3 Ų45.31%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-117.9115.6174.6-50.1178.4000109N15 S17 Y72 I78 V79 M85N15-I74 HydrophobicContact CB-CD1 4.12Å; S17-I74 WeakPolarHBondContact OG-CG2 3.34Å; Y72-I74 PolarHBondContact O-N 2.91Å; Y72-I74 VanDerWaalsContact O-N 3.14Å; I74-I78 CarbonylContact C-O 3.59Å; I74-I78 VanDerWaalsContact CA-O 3.32Å; I74-I78 WeakPolarHBondContact CA-O 3.43Å; I74-V79 HydrophobicContact CG1-CG2 4.21Å; I74-M85 HydrophobicContact CD1-CE 4.05Å; I74-M85 HydrophobicContact CD1-SD 3.79Å; I74-M85 HydrophobicContact CG1-SD 3.8Å
75E95.5Very high95.5Very high94 Ų9443.3 Ų43.344%0.43924%0.235SC..EExtended strand (participates in β ladder)trans-113.7126.1176.4-67.4178.4-148.300109.6G77 I78 T80E75-G77 PolarHBondContact O-N 3.4Å; E75-G77 VanDerWaalsContact O-N 3.13Å; E75-I78 PolarHBondContact N-O 3.38Å; E75-I78 PolarHBondContact O-N 3.31Å; E75-T80 HydrophobicContact CB-CG2 3.94Å; E75-T80 HydrophobicContact CG-CG2 4.2Å; E75-T80 PolarHBondContact OE1-OG1 3.48Å
76H95Very high95.8Very high62 Ų6245 Ų4529%0.28724%0.244SC..THydrogen-bonded Turntrans4646.5-179.4-46.5105000113.3I78 G161 V162 R180H76-I78 VanDerWaalsContact C-N 3.29Å; H76-I78 PolarHBondContact O-N 2.9Å; H76-G161 WeakPolarHBondContact CA-O 3.5Å; H76-G161 PolarHBondContact CD2-O 2.99Å; H76-V162 HydrophobicContact CB-CB 4.23Å; H76-R180 VanDerWaalsContact O-CZ 3.27Å; H76-R180 PolarHBondContact O-NH1 3.48Å; H76-R180 VanDerWaalsContact O-NH1 3.16Å; H76-R180 PolarHBondContact O-NH2 3.45Å
77G94.9Very high96.3Very high10 Ų1045.3 Ų45.310%0.10323%0.227CC..THydrogen-bonded Turntrans77.7-2.1-179.300000116.4S17 E75 A111S17-G77 WeakPolarHBondContact OG-CA 3.42Å; S17-G77 PolarHBondContact OG-N 3.17Å; E75-G77 PolarHBondContact O-N 3.4Å; E75-G77 VanDerWaalsContact O-N 3.13Å; G77-A111 WeakPolarHBondContact O-CB 3.43Å
78I97.2Very high96.8Very high29 Ų2942 Ų4215%0.14921%0.21CC..EExtended strand (participates in β ladder)trans-111.1131.3-176.3-55.4-55.7000110.2I74 E75 H76 T80 N118I74-I78 CarbonylContact C-O 3.59Å; I74-I78 VanDerWaalsContact CA-O 3.32Å; I74-I78 WeakPolarHBondContact CA-O 3.43Å; E75-I78 PolarHBondContact N-O 3.38Å; E75-I78 PolarHBondContact O-N 3.31Å; H76-I78 VanDerWaalsContact C-N 3.29Å; H76-I78 PolarHBondContact O-N 2.9Å; I78-T80 PolarHBondContact O-N 3.38Å; I78-N118 WeakPolarHBondContact CG2-ND2 3.36Å
79V98.2Very high97.1Very high15 Ų1542 Ų429%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-68.2120171.7-177.30000109.2P73 I74 W82 M85 N118P73-V79 CarbonylContact O-C 3.57Å; P73-V79 WeakPolarHBondContact O-CA 3.37Å; I74-V79 HydrophobicContact CG1-CG2 4.21Å; V79-W82 HydrophobicContact CB-CH2 3.86Å; V79-W82 HydrophobicContact CB-CZ2 3.85Å; V79-W82 HydrophobicContact CB-CZ3 4.26Å; V79-W82 HydrophobicContact CG1-CD2 3.78Å; V79-W82 HydrophobicContact CG1-CE3 3.83Å; V79-W82 HydrophobicContact CG1-CG 4.38Å; V79-W82 HydrophobicContact CG1-CH2 3.97Å; V79-W82 HydrophobicContact CG1-CZ2 3.93Å; V79-W82 HydrophobicContact CG1-CZ3 3.93Å; V79-W82 HydrophobicContact CG2-CH2 4.01Å; V79-W82 HydrophobicContact CG2-CZ2 4.49Å; V79-W82 HydrophobicContact CG2-CZ3 4.27Å; V79-M85 HydrophobicContact CG1-CB 3.82Å; V79-M85 HydrophobicContact CG1-CG 3.99Å; V79-M85 HydrophobicContact CG2-CG 4.18Å; V79-M85 HydrophobicContact CG2-SD 4.14Å; V79-N118 PolarHBondContact O-ND2 2.95Å
80T97.2Very high97.3Very high76 Ų7643.3 Ų43.347%0.46621%0.211SC..  trans-107.7-18.8178.857.50000112.8P73 E75 I78P73-T80 PolarHBondContact O-N 3.12Å; P73-T80 PolarHBondContact O-OG1 3.41Å; E75-T80 HydrophobicContact CB-CG2 3.94Å; E75-T80 HydrophobicContact CG-CG2 4.2Å; E75-T80 PolarHBondContact OE1-OG1 3.48Å; I78-T80 PolarHBondContact O-N 3.38Å
81N98Very high97.5Very high52 Ų5242.6 Ų42.628%0.27821%0.207SC..  trans-135.3106.5177.5-171.4-48.6000111P73 D83 D84 M85P73-N81 HydrophobicContact CB-CB 4.16Å; P73-N81 WeakPolarHBondContact CB-O 3.29Å; P73-N81 PolarHBondContact O-N 3.28Å; N81-D83 PolarHBondContact OD1-N 2.88Å; N81-D84 HydrophobicContact CB-CB 4.29Å; N81-D84 WeakPolarHBondContact OD1-CB 3.47Å; N81-D84 PolarHBondContact OD1-N 3.36Å; N81-M85 WeakPolarHBondContact O-CB 3.26Å; N81-M85 PolarHBondContact O-N 3.12Å
82W98.1Very high97.6Very high44 Ų4438.1 Ų38.117%0.16719%0.188CC..Hα-helixtrans-73.5-35.8-176.9-70.6103.2000113.5V79 D84 M85 E86 W89 N118 K121 M122 I125V79-W82 HydrophobicContact CB-CH2 3.86Å; V79-W82 HydrophobicContact CB-CZ2 3.85Å; V79-W82 HydrophobicContact CB-CZ3 4.26Å; V79-W82 HydrophobicContact CG1-CD2 3.78Å; V79-W82 HydrophobicContact CG1-CE3 3.83Å; V79-W82 HydrophobicContact CG1-CG 4.38Å; V79-W82 HydrophobicContact CG1-CH2 3.97Å; V79-W82 HydrophobicContact CG1-CZ2 3.93Å; V79-W82 HydrophobicContact CG1-CZ3 3.93Å; V79-W82 HydrophobicContact CG2-CH2 4.01Å; V79-W82 HydrophobicContact CG2-CZ2 4.49Å; V79-W82 HydrophobicContact CG2-CZ3 4.27Å; W82-D84 VanDerWaalsContact C-N 3.3Å; W82-D84 PolarHBondContact O-N 2.99Å; W82-M85 HydrophobicContact CE3-CB 4.39Å; W82-M85 PolarHBondContact O-N 3.41Å; W82-M85 VanDerWaalsContact O-N 3.17Å; W82-E86 WeakPolarHBondContact O-CG 3.4Å; W82-E86 PolarHBondContact O-N 3.4Å; W82-W89 AromaticContact CZ3-CH2 3.81Å; W82-W89 HydrophobicContact CZ3-CH2 3.81Å; W82-W89 HydrophobicContact CZ3-CZ3 4.21Å; W82-N118 HydrophobicContact CH2-CB 4.26Å; W82-N118 WeakPolarHBondContact CH2-O 3.46Å; W82-N118 HydrophobicContact CZ2-CB 3.77Å; W82-K121 HydrophobicContact CD2-CB 4.13Å; W82-K121 HydrophobicContact CD2-CG 3.34Å; W82-K121 VanDerWaalsContact CE2-CG 3.45Å; W82-K121 HydrophobicContact CE3-CB 4.4Å; W82-K121 HydrophobicContact CE3-CG 3.71Å; W82-K121 HydrophobicContact CG-CG 3.74Å; W82-K121 HydrophobicContact CH2-CB 4.07Å; W82-K121 HydrophobicContact CH2-CG 4.27Å; W82-K121 HydrophobicContact CZ2-CB 3.75Å; W82-K121 HydrophobicContact CZ2-CG 3.94Å; W82-K121 HydrophobicContact CZ3-CB 4.36Å; W82-K121 HydrophobicContact CZ3-CG 4.15Å; W82-M122 HydrophobicContact CH2-CG 3.55Å; W82-M122 HydrophobicContact CZ3-CG 3.84Å; W82-I125 HydrophobicContact CD2-CD1 4.25Å; W82-I125 HydrophobicContact CE3-CD1 3.45Å; W82-I125 VanDerWaalsContact CE3-CD1 3.45Å; W82-I125 HydrophobicContact CZ3-CD1 4.05Å
83D97.8Very high97.7Very high117 Ų11734.9 Ų34.963%0.62618%0.175SC*.Hα-helixtrans-62.3-40.6177.6-60-20000111.4N81 K87N81-D83 PolarHBondContact OD1-N 2.88Å; D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.33Å
84D98.1Very high97.7Very high4 Ų439.4 Ų39.42%0.02119%0.193CC..Hα-helixtrans-76.5-31.1176.5-73.7-20.8000111.6V38 K71 P73 N81 W82 K87 I88V38-D84 HydrophobicContact CB-CB 4.23Å; V38-D84 HydrophobicContact CG2-CB 3.82Å; V38-D84 WeakPolarHBondContact CG2-O 3.1Å; K71-D84 VanDerWaalsContact CD-OD2 3.26Å; K71-D84 WeakPolarHBondContact CD-OD2 3.34Å; P73-D84 HydrophobicContact CB-CB 3.83Å; P73-D84 HydrophobicContact CG-CB 4.2Å; N81-D84 HydrophobicContact CB-CB 4.29Å; N81-D84 WeakPolarHBondContact OD1-CB 3.47Å; N81-D84 PolarHBondContact OD1-N 3.36Å; W82-D84 VanDerWaalsContact C-N 3.3Å; W82-D84 PolarHBondContact O-N 2.99Å; D84-K87 PolarHBondContact O-N 2.99Å; D84-K87 IonicContact OD1-NZ 3.18Å; D84-K87 PolarHBondContact OD1-NZ 3.35Å; D84-I88 PolarHBondContact O-N 3.49Å; D84-I88 VanDerWaalsContact O-N 3.14Å
85M98.4Very high97.7Very high1 Ų142.7 Ų42.71%0.00521%0.21CC..Hα-helixtrans-66.5-40.4172.4-166.166.6-152.600112.4N15 P73 I74 V79 N81 W82 K87 I88 W89N15-M85 HydrophobicContact CB-CE 4.31Å; N15-M85 VanDerWaalsContact OD1-CE 3.25Å; N15-M85 WeakPolarHBondContact OD1-CE 3.32Å; P73-M85 HydrophobicContact CB-CB 4.48Å; I74-M85 HydrophobicContact CD1-CE 4.05Å; I74-M85 HydrophobicContact CD1-SD 3.79Å; I74-M85 HydrophobicContact CG1-SD 3.8Å; V79-M85 HydrophobicContact CG1-CB 3.82Å; V79-M85 HydrophobicContact CG1-CG 3.99Å; V79-M85 HydrophobicContact CG2-CG 4.18Å; V79-M85 HydrophobicContact CG2-SD 4.14Å; N81-M85 WeakPolarHBondContact O-CB 3.26Å; N81-M85 PolarHBondContact O-N 3.12Å; W82-M85 HydrophobicContact CE3-CB 4.39Å; W82-M85 PolarHBondContact O-N 3.41Å; W82-M85 VanDerWaalsContact O-N 3.17Å; M85-K87 VanDerWaalsContact C-N 3.28Å; M85-K87 PolarHBondContact O-N 3.29Å; M85-I88 HydrophobicContact CE-CG2 4.2Å; M85-I88 WeakPolarHBondContact O-CA 3.42Å; M85-I88 WeakPolarHBondContact O-CB 3.34Å; M85-I88 PolarHBondContact O-N 3.3Å; M85-I88 VanDerWaalsContact O-N 3.07Å; M85-I88 HydrophobicContact SD-CD1 4.45Å; M85-W89 HydrophobicContact CE-CD2 4.14Å; M85-W89 VanDerWaalsContact CE-CE2 3.42Å; M85-W89 HydrophobicContact CE-CG 4.36Å; M85-W89 HydrophobicContact CE-CZ2 3.82Å; M85-W89 HydrophobicContact CG-CD2 4.24Å; M85-W89 HydrophobicContact CG-CE3 4.32Å; M85-W89 HydrophobicContact CG-CH2 4.2Å; M85-W89 HydrophobicContact CG-CZ2 4.04Å; M85-W89 HydrophobicContact CG-CZ3 4.32Å; M85-W89 PolarHBondContact O-N 2.81Å
86E98.3Very high97.8Very high47 Ų4741.5 Ų41.522%0.2221%0.205CC..Hα-helixtrans-59.8-39.2174.2-77.1-174.5-137.600111.4W82 I88 W89 H90 I125W82-E86 WeakPolarHBondContact O-CG 3.4Å; W82-E86 PolarHBondContact O-N 3.4Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.37Å; E86-W89 PolarHBondContact O-N 2.98Å; E86-H90 VanDerWaalsContact O-CB 3.32Å; E86-H90 WeakPolarHBondContact O-CB 3.4Å; E86-H90 PolarHBondContact O-N 2.97Å; E86-I125 HydrophobicContact CG-CD1 3.76Å; E86-I125 HydrophobicContact CG-CG1 4.15Å; E86-I125 HydrophobicContact CG-CG2 3.75Å; E86-I125 WeakPolarHBondContact OE1-CD1 3.36Å; E86-I125 WeakPolarHBondContact OE1-CG1 3.46Å
87K98.2Very high97.9Very high70 Ų7039.4 Ų39.430%0.30420%0.195SC..Hα-helixtrans-63.7-38.8172.9-66.7168.1-165.6160.60112.3V38 V57 D83 D84 M85 H91V38-K87 HydrophobicContact CG1-CD 3.95Å; V38-K87 HydrophobicContact CG2-CB 4.4Å; V57-K87 HydrophobicContact CG2-CB 4.13Å; D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.33Å; D84-K87 PolarHBondContact O-N 2.99Å; D84-K87 IonicContact OD1-NZ 3.18Å; D84-K87 PolarHBondContact OD1-NZ 3.35Å; M85-K87 VanDerWaalsContact C-N 3.28Å; M85-K87 PolarHBondContact O-N 3.29Å; K87-H91 WeakPolarHBondContact O-CB 3.22Å; K87-H91 PolarHBondContact O-N 2.89Å
88I98.5Very high98.1Very high0 Ų048.9 Ų48.90%023%0.228CC..Hα-helixtrans-61.4-49.8174.6-71.3179.5000110.2C20 F34 V38 V57 P73 D84 M85 E86 H90 H91 T92C20-I88 HydrophobicContact CB-CG2 4.48Å; F34-I88 HydrophobicContact CE2-CG2 4.15Å; F34-I88 HydrophobicContact CZ-CG2 4.25Å; V38-I88 HydrophobicContact CG2-CD1 4.39Å; V38-I88 HydrophobicContact CG2-CG1 3.97Å; V57-I88 HydrophobicContact CG1-CG1 3.98Å; P73-I88 HydrophobicContact CG-CD1 3.32Å; P73-I88 HydrophobicContact CG-CG1 4.35Å; D84-I88 PolarHBondContact O-N 3.49Å; D84-I88 VanDerWaalsContact O-N 3.14Å; M85-I88 HydrophobicContact CE-CG2 4.2Å; M85-I88 WeakPolarHBondContact O-CA 3.42Å; M85-I88 WeakPolarHBondContact O-CB 3.34Å; M85-I88 PolarHBondContact O-N 3.3Å; M85-I88 VanDerWaalsContact O-N 3.07Å; M85-I88 HydrophobicContact SD-CD1 4.45Å; E86-I88 VanDerWaalsContact C-N 3.34Å; E86-I88 PolarHBondContact O-N 3.37Å; I88-H90 PolarHBondContact O-N 3.49Å; I88-H91 WeakPolarHBondContact O-CB 3.09Å; I88-H91 PolarHBondContact O-N 2.89Å; I88-T92 PolarHBondContact O-N 3.1Å; I88-T92 PolarHBondContact O-OG1 2.73Å
89W98.7Very high98.1Very high0 Ų048.6 Ų48.60%023%0.228CC..Hα-helixtrans-65.1-40.1178.9-69.7-31.8000113.1N15 W82 M85 E86 H91 T92 F93 L108 M122 I125 M126 F130N15-W89 PolarHBondContact OD1-NE1 3.27Å; W82-W89 AromaticContact CZ3-CH2 3.81Å; W82-W89 HydrophobicContact CZ3-CH2 3.81Å; W82-W89 HydrophobicContact CZ3-CZ3 4.21Å; M85-W89 HydrophobicContact CE-CD2 4.14Å; M85-W89 VanDerWaalsContact CE-CE2 3.42Å; M85-W89 HydrophobicContact CE-CG 4.36Å; M85-W89 HydrophobicContact CE-CZ2 3.82Å; M85-W89 HydrophobicContact CG-CD2 4.24Å; M85-W89 HydrophobicContact CG-CE3 4.32Å; M85-W89 HydrophobicContact CG-CH2 4.2Å; M85-W89 HydrophobicContact CG-CZ2 4.04Å; M85-W89 HydrophobicContact CG-CZ3 4.32Å; M85-W89 PolarHBondContact O-N 2.81Å; E86-W89 PolarHBondContact O-N 2.98Å; W89-H91 VanDerWaalsContact C-N 3.3Å; W89-H91 PolarHBondContact O-N 3.31Å; W89-T92 WeakPolarHBondContact O-CB 3.23Å; W89-T92 PolarHBondContact O-N 3.38Å; W89-T92 VanDerWaalsContact O-N 3.16Å; W89-F93 HydrophobicContact CB-CE2 4.18Å; W89-F93 WeakPolarHBondContact O-CD2 3.31Å; W89-F93 PolarHBondContact O-N 3.27Å; W89-L108 HydrophobicContact CH2-CD1 4.13Å; W89-L108 HydrophobicContact CZ2-CD1 3.87Å; W89-L108 HydrophobicContact CZ2-CD2 4.41Å; W89-M122 HydrophobicContact CH2-CB 4.19Å; W89-M122 HydrophobicContact CH2-CG 3.95Å; W89-M122 HydrophobicContact CZ2-CG 4.46Å; W89-I125 HydrophobicContact CE3-CG2 3.75Å; W89-I125 HydrophobicContact CZ3-CB 3.98Å; W89-I125 HydrophobicContact CZ3-CD1 3.84Å; W89-I125 HydrophobicContact CZ3-CG2 3.62Å; W89-M126 HydrophobicContact CB-CE 4.27Å; W89-M126 HydrophobicContact CD2-CE 3.38Å; W89-M126 HydrophobicContact CE3-CE 3.27Å; W89-M126 HydrophobicContact CG-CE 3.87Å; W89-M126 HydrophobicContact CH2-CE 4.06Å; W89-M126 HydrophobicContact CZ2-CE 4.21Å; W89-M126 HydrophobicContact CZ3-CE 3.62Å; W89-F130 HydrophobicContact CB-CE2 3.74Å; W89-F130 HydrophobicContact CB-CZ 3.73Å; W89-F130 HydrophobicContact CE3-CE2 4.06Å
90H98.4Very high98.1Very high94 Ų9449 Ų4944%0.43523%0.232SC..Hα-helixtrans-57.8-45.3172.4-176.4-68.5000111E86 I88 F93 Y94 F130E86-H90 VanDerWaalsContact O-CB 3.32Å; E86-H90 WeakPolarHBondContact O-CB 3.4Å; E86-H90 PolarHBondContact O-N 2.97Å; I88-H90 PolarHBondContact O-N 3.49Å; H90-F93 PolarHBondContact O-N 3.31Å; H90-Y94 HydrophobicContact CB-CD2 4.45Å; H90-Y94 AromaticContact CD2-CD2 3.58Å; H90-Y94 AromaticContact CD2-CE2 3.6Å; H90-Y94 AromaticContact CE1-CD2 3.43Å; H90-Y94 VanDerWaalsContact CE1-CD2 3.43Å; H90-Y94 WeakPolarHBondContact CE1-CD2 3.2Å; H90-Y94 AromaticContact CG-CD2 3.65Å; H90-Y94 AromaticContact ND1-CD2 3.57Å; H90-Y94 AromaticContact NE2-CD2 3.46Å; H90-Y94 WeakPolarHBondContact NE2-CD2 3.11Å; H90-Y94 AromaticContact NE2-CE2 3.67Å; H90-Y94 WeakPolarHBondContact O-CB 3.48Å; H90-Y94 VanDerWaalsContact O-CD2 3.25Å; H90-Y94 WeakPolarHBondContact O-CD2 3.4Å; H90-Y94 PolarHBondContact O-N 3.31Å; H90-F130 HydrophobicContact CB-CE1 4.09Å; H90-F130 HydrophobicContact CB-CZ 4.21Å
91H98.3Very high98.1Very high15 Ų1545.3 Ų45.37%0.06921%0.21CC..Hα-helixtrans-61.6-43.8174.9-17771.1000112F34 V57 K87 I88 W89 F93 N95 E96F34-H91 AromaticContact CE2-CD2 3.78Å; F34-H91 AromaticContact CZ-CD2 3.98Å; V57-H91 HydrophobicContact CB-CB 3.86Å; V57-H91 HydrophobicContact CG1-CB 3.64Å; V57-H91 HydrophobicContact CG2-CB 4.2Å; K87-H91 WeakPolarHBondContact O-CB 3.22Å; K87-H91 PolarHBondContact O-N 2.89Å; I88-H91 WeakPolarHBondContact O-CB 3.09Å; I88-H91 PolarHBondContact O-N 2.89Å; W89-H91 VanDerWaalsContact C-N 3.3Å; W89-H91 PolarHBondContact O-N 3.31Å; H91-F93 PolarHBondContact O-N 3.15Å; H91-N95 WeakPolarHBondContact ND1-CB 3.44Å; H91-N95 PolarHBondContact ND1-OD1 3.02Å; H91-N95 WeakPolarHBondContact O-CA 3.23Å; H91-N95 VanDerWaalsContact O-CB 3.28Å; H91-N95 WeakPolarHBondContact O-CB 3.49Å; H91-N95 PolarHBondContact O-N 3.27Å; H91-E96 IonicContact CE1-OE1 3.93Å; H91-E96 IonicContact NE2-OE1 3.26Å; H91-E96 PolarHBondContact NE2-OE1 2.88Å; H91-E96 PolarHBondContact O-N 3.02Å; H91-E96 VanDerWaalsContact O-N 3.09Å
92T98.6Very high98.1Very high0 Ų047.5 Ų47.50%022%0.218CC..Iπ-helixtrans-54.7-52175.1-57.20000111.7I13 A22 F34 I88 W89 L97I13-T92 HydrophobicContact CD1-CG2 3.95Å; I13-T92 HydrophobicContact CG1-CG2 4.15Å; A22-T92 HydrophobicContact CB-CG2 3.29Å; F34-T92 VanDerWaalsContact CZ-OG1 3.31Å; F34-T92 WeakPolarHBondContact CZ-OG1 3.08Å; I88-T92 PolarHBondContact O-N 3.1Å; I88-T92 PolarHBondContact O-OG1 2.73Å; W89-T92 WeakPolarHBondContact O-CB 3.23Å; W89-T92 PolarHBondContact O-N 3.38Å; W89-T92 VanDerWaalsContact O-N 3.16Å; T92-L97 HydrophobicContact CG2-CD1 4.15Å; T92-L97 HydrophobicContact CG2-CG 4.39Å; T92-L97 WeakPolarHBondContact O-CB 3.41Å; T92-L97 WeakPolarHBondContact O-CG 3.4Å; T92-L97 PolarHBondContact O-N 2.99Å
93F98.6Very high98.1Very high0 Ų051.1 Ų51.10%024%0.237CC..Iπ-helixtrans-69.8-52.4-176.6-65.3-55.6000112.2L11 I13 W89 H90 H91 R98 V99 P101 V106 M126 F130L11-F93 HydrophobicContact CD1-CD1 3.82Å; L11-F93 HydrophobicContact CD1-CE1 3.68Å; I13-F93 HydrophobicContact CD1-CE1 3.65Å; I13-F93 HydrophobicContact CD1-CE2 4.47Å; I13-F93 HydrophobicContact CD1-CZ 3.62Å; W89-F93 HydrophobicContact CB-CE2 4.18Å; W89-F93 WeakPolarHBondContact O-CD2 3.31Å; W89-F93 PolarHBondContact O-N 3.27Å; H90-F93 PolarHBondContact O-N 3.31Å; H91-F93 PolarHBondContact O-N 3.15Å; F93-R98 VanDerWaalsContact O-CA 3.31Å; F93-R98 WeakPolarHBondContact O-CA 3.37Å; F93-R98 PolarHBondContact O-N 3Å; F93-V99 HydrophobicContact CD1-CG2 4.34Å; F93-V99 PolarHBondContact O-N 3.42Å; F93-P101 HydrophobicContact CB-CG 4.38Å; F93-P101 HydrophobicContact CD1-CB 3.94Å; F93-P101 HydrophobicContact CD2-CB 3.92Å; F93-P101 HydrophobicContact CD2-CG 4.05Å; F93-P101 HydrophobicContact CE1-CB 4.01Å; F93-P101 HydrophobicContact CE2-CB 3.99Å; F93-P101 HydrophobicContact CE2-CG 4.49Å; F93-P101 HydrophobicContact CG-CB 3.9Å; F93-P101 HydrophobicContact CG-CG 4.12Å; F93-P101 HydrophobicContact CZ-CB 4.04Å; F93-V106 HydrophobicContact CE1-CG1 4.48Å; F93-V106 HydrophobicContact CE1-CG2 4.05Å; F93-V106 HydrophobicContact CZ-CG1 4.2Å; F93-V106 HydrophobicContact CZ-CG2 4.03Å; F93-M126 HydrophobicContact CE2-CE 4.29Å; F93-M126 HydrophobicContact CE2-SD 4.34Å; F93-M126 HydrophobicContact CZ-CE 4.48Å; F93-M126 HydrophobicContact CZ-SD 4.12Å; F93-F130 AromaticContact CD2-CD1 3.77Å; F93-F130 HydrophobicContact CD2-CD1 3.77Å; F93-F130 AromaticContact CD2-CE1 3.87Å; F93-F130 HydrophobicContact CD2-CE1 3.87Å; F93-F130 HydrophobicContact CD2-CG 4.2Å; F93-F130 HydrophobicContact CD2-CZ 4.39Å; F93-F130 HydrophobicContact CE2-CB 4.38Å; F93-F130 AromaticContact CE2-CD1 3.92Å; F93-F130 HydrophobicContact CE2-CD1 3.92Å; F93-F130 HydrophobicContact CE2-CD2 4.08Å; F93-F130 HydrophobicContact CE2-CE1 4.21Å; F93-F130 HydrophobicContact CE2-CE2 4.35Å; F93-F130 AromaticContact CE2-CG 3.86Å; F93-F130 HydrophobicContact CE2-CG 3.86Å; F93-F130 HydrophobicContact CE2-CZ 4.42Å
94Y98Very high98Very high96 Ų9646.5 Ų46.538%0.37621%0.212SC..Iπ-helixtrans-92.2-28.7-166.4-62.7-72.2000114.5H90 F130H90-Y94 HydrophobicContact CB-CD2 4.45Å; H90-Y94 AromaticContact CD2-CD2 3.58Å; H90-Y94 AromaticContact CD2-CE2 3.6Å; H90-Y94 AromaticContact CE1-CD2 3.43Å; H90-Y94 VanDerWaalsContact CE1-CD2 3.43Å; H90-Y94 WeakPolarHBondContact CE1-CD2 3.2Å; H90-Y94 AromaticContact CG-CD2 3.65Å; H90-Y94 AromaticContact ND1-CD2 3.57Å; H90-Y94 AromaticContact NE2-CD2 3.46Å; H90-Y94 WeakPolarHBondContact NE2-CD2 3.11Å; H90-Y94 AromaticContact NE2-CE2 3.67Å; H90-Y94 WeakPolarHBondContact O-CB 3.48Å; H90-Y94 VanDerWaalsContact O-CD2 3.25Å; H90-Y94 WeakPolarHBondContact O-CD2 3.4Å; H90-Y94 PolarHBondContact O-N 3.31Å; Y94-F130 HydrophobicContact CE2-CE1 4.45Å
95N97.2Very high98Very high71 Ų7147.5 Ų47.538%0.3822%0.219SC..Iπ-helixtrans-97.9-50.7-178.3-64.797.1000112.2H91 R98H91-N95 WeakPolarHBondContact ND1-CB 3.44Å; H91-N95 PolarHBondContact ND1-OD1 3.02Å; H91-N95 WeakPolarHBondContact O-CA 3.23Å; H91-N95 VanDerWaalsContact O-CB 3.28Å; H91-N95 WeakPolarHBondContact O-CB 3.49Å; H91-N95 PolarHBondContact O-N 3.27Å; N95-R98 WeakPolarHBondContact O-CG 3.27Å; N95-R98 PolarHBondContact O-NE 3.13Å
96E98.1Very high98Very high69 Ų6947.5 Ų47.532%0.32222%0.218SC..Iπ-helixtrans-81.1-56.3-172.5-64.3-59126.900111.5A32 F34 H91A32-E96 HydrophobicContact CB-CB 3.66Å; A32-E96 HydrophobicContact CB-CG 4.22Å; F34-E96 HydrophobicContact CD1-CG 3.79Å; F34-E96 HydrophobicContact CE1-CB 4.48Å; F34-E96 HydrophobicContact CE1-CG 3.77Å; H91-E96 IonicContact CE1-OE1 3.93Å; H91-E96 IonicContact NE2-OE1 3.26Å; H91-E96 PolarHBondContact NE2-OE1 2.88Å; H91-E96 PolarHBondContact O-N 3.02Å; H91-E96 VanDerWaalsContact O-N 3.09Å
97L97.9Very high98.1Very high17 Ų1745.2 Ų45.29%0.08921%0.208CC..Iπ-helixtrans-85.1-26.7-179.8-61.4-176.2000113.3L11 A22 R31 T92 V99L11-L97 HydrophobicContact CD1-CD1 4.37Å; L11-L97 HydrophobicContact CD2-CD1 4.04Å; A22-L97 HydrophobicContact CB-CD1 4.02Å; A22-L97 HydrophobicContact CB-CD2 4.27Å; A22-L97 HydrophobicContact CB-CG 4.27Å; R31-L97 HydrophobicContact CB-CD2 3.96Å; T92-L97 HydrophobicContact CG2-CD1 4.15Å; T92-L97 HydrophobicContact CG2-CG 4.39Å; T92-L97 WeakPolarHBondContact O-CB 3.41Å; T92-L97 WeakPolarHBondContact O-CG 3.4Å; T92-L97 PolarHBondContact O-N 2.99Å; L97-V99 HydrophobicContact CB-CG1 4.46Å; L97-V99 HydrophobicContact CB-CG2 3.86Å
98R98Very high98.1Very high210 Ų21041.9 Ų41.979%0.79219%0.193SC*.  trans56.548.5-178.4-53.4-179.2-177-173.11.6113F93 N95F93-R98 VanDerWaalsContact O-CA 3.31Å; F93-R98 WeakPolarHBondContact O-CA 3.37Å; F93-R98 PolarHBondContact O-N 3Å; N95-R98 WeakPolarHBondContact O-CG 3.27Å; N95-R98 PolarHBondContact O-NE 3.13Å
99V97.8Very high98Very high23 Ų2342 Ų4214%0.13919%0.194CC..  trans-124.8159.1-179.7-64.60000111.5L11 F24 F93 L97L11-V99 HydrophobicContact CD1-CG2 3.7Å; F24-V99 HydrophobicContact CE1-CG1 4.2Å; F24-V99 HydrophobicContact CZ-CG1 3.58Å; F93-V99 HydrophobicContact CD1-CG2 4.34Å; F93-V99 PolarHBondContact O-N 3.42Å; L97-V99 HydrophobicContact CB-CG1 4.46Å; L97-V99 HydrophobicContact CB-CG2 3.86Å
100A97.7Very high98Very high22 Ų2242.6 Ų42.618%0.18220%0.197CC..  trans-89.4111.1170.600000109.2E102 E103 H104A100-E102 HydrophobicContact CB-CG 4.27Å; A100-E102 PolarHBondContact O-N 3.2Å; A100-E102 VanDerWaalsContact O-N 3.12Å; A100-E103 HydrophobicContact CB-CG 4.07Å; A100-E103 PolarHBondContact O-N 3.29Å; A100-H104 PolarHBondContact O-CD2 3.49Å
101P97.7Very high97.8Very high0 Ų038.1 Ų38.10%018%0.176CC..G310 helixtrans-60-24.2-175.922.9-32.3000114F93 E103 H104 F130F93-P101 HydrophobicContact CB-CG 4.38Å; F93-P101 HydrophobicContact CD1-CB 3.94Å; F93-P101 HydrophobicContact CD2-CB 3.92Å; F93-P101 HydrophobicContact CD2-CG 4.05Å; F93-P101 HydrophobicContact CE1-CB 4.01Å; F93-P101 HydrophobicContact CE2-CB 3.99Å; F93-P101 HydrophobicContact CE2-CG 4.49Å; F93-P101 HydrophobicContact CG-CB 3.9Å; F93-P101 HydrophobicContact CG-CG 4.12Å; F93-P101 HydrophobicContact CZ-CB 4.04Å; P101-E103 PolarHBondContact O-N 3.34Å; P101-H104 PolarHBondContact O-N 3.29Å; P101-F130 HydrophobicContact CB-CB 4.02Å; P101-F130 HydrophobicContact CG-CB 3.95Å; P101-F130 HydrophobicContact CG-CD1 3.95Å; P101-F130 HydrophobicContact CG-CG 4.37Å
102E97.7Very high97.6Very high98 Ų9837.5 Ų37.546%0.45817%0.173SC..G310 helixtrans-66.3-13.2174.362.4-94.3-13700114.4A100 N131 P133A100-E102 HydrophobicContact CB-CG 4.27Å; A100-E102 PolarHBondContact O-N 3.2Å; A100-E102 VanDerWaalsContact O-N 3.12Å; E102-N131 WeakPolarHBondContact CA-O 3.39Å; E102-N131 HydrophobicContact CB-CB 4.02Å; E102-P133 WeakPolarHBondContact O-CD 3.26Å
103E97.4Very high97.2Very high119 Ų11944 Ų4456%0.55621%0.205SC*.G310 helixtrans-96.1-8.3177.7-62.5-179166.700112.7S8 A100 P101S8-E103 WeakPolarHBondContact CB-O 3.49Å; S8-E103 PolarHBondContact OG-O 2.95Å; A100-E103 HydrophobicContact CB-CG 4.07Å; A100-E103 PolarHBondContact O-N 3.29Å; P101-E103 PolarHBondContact O-N 3.34Å
104H97.5Very high97Very high20 Ų2044.9 Ų44.99%0.09321%0.21CC..SBendtrans-132.9133.1-168.9-62.8-87000114S9 L11 F24 A100 P101 P133S9-H104 PolarHBondContact O-ND1 3.27Å; L11-H104 HydrophobicContact CD1-CB 3.78Å; L11-H104 HydrophobicContact CG-CB 3.77Å; F24-H104 AromaticContact CE1-CE1 3.91Å; A100-H104 PolarHBondContact O-CD2 3.49Å; P101-H104 PolarHBondContact O-N 3.29Å; H104-P133 VanDerWaalsContact O-CD 3.31Å; H104-P133 WeakPolarHBondContact O-CD 3.35Å
105P97.7Very high96.9Very high26 Ų2643 Ų4317%0.16921%0.21CC..  trans-57.9142.3163.1-21.533.1000111.3A10 L11 A134 W359A10-P105 CarbonylContact C-O 3.55Å; A10-P105 VanDerWaalsContact CA-O 3.3Å; A10-P105 WeakPolarHBondContact CA-O 3.48Å; A10-P105 HydrophobicContact CB-CB 4.04Å; L11-P105 PolarHBondContact N-O 2.84Å; P105-A134 CarbonylContact C-O 3.54Å; P105-A134 VanDerWaalsContact CA-O 3.27Å; P105-A134 WeakPolarHBondContact CA-O 3.3Å; P105-A134 HydrophobicContact CB-CB 4.13Å; P105-A134 HydrophobicContact CG-CB 4.48Å; P105-W359 HydrophobicContact CB-CD2 4.38Å; P105-W359 HydrophobicContact CB-CE3 4.41Å; P105-W359 HydrophobicContact CB-CH2 4.14Å; P105-W359 HydrophobicContact CB-CZ2 4.11Å; P105-W359 HydrophobicContact CB-CZ3 4.3Å
106V98.5Very high96.8Very high0 Ų046.5 Ų46.50%022%0.222CC..EExtended strand (participates in β ladder)trans-123.2117.9-177.2-174.90000111.9L11 I13 F93 L108 M126 S132 A134 M135 Y136L11-V106 HydrophobicContact CB-CG2 4.48Å; I13-V106 HydrophobicContact CD1-CG1 3.99Å; I13-V106 HydrophobicContact CG1-CG1 4.46Å; F93-V106 HydrophobicContact CE1-CG1 4.48Å; F93-V106 HydrophobicContact CE1-CG2 4.05Å; F93-V106 HydrophobicContact CZ-CG1 4.2Å; F93-V106 HydrophobicContact CZ-CG2 4.03Å; V106-L108 HydrophobicContact CG1-CD2 3.75Å; V106-L108 HydrophobicContact CG1-CG 4.13Å; V106-M126 HydrophobicContact CB-SD 4.43Å; V106-M126 HydrophobicContact CG1-SD 4.11Å; V106-S132 WeakPolarHBondContact CG2-OG 3.35Å; V106-A134 PolarHBondContact N-O 3.46Å; V106-M135 CarbonylContact O-C 3.58Å; V106-M135 WeakPolarHBondContact O-CA 3.4Å; V106-M135 VanDerWaalsContact O-CB 3.28Å; V106-M135 WeakPolarHBondContact O-CB 3.25Å; V106-Y136 PolarHBondContact O-N 3.14Å
107L98.5Very high96.8Very high0 Ų046.3 Ų46.30%023%0.232CC..EExtended strand (participates in β ladder)trans-91.2115.9166.7-169.8152.9000109.4L11 V12 I13 T109 Y136 A138 L143 L349 A350 F355 W359L11-L107 PolarHBondContact O-N 2.92Å; V12-L107 WeakPolarHBondContact CA-O 3.11Å; V12-L107 HydrophobicContact CG1-CD2 4.19Å; V12-L107 HydrophobicContact CG2-CB 4.36Å; I13-L107 PolarHBondContact N-O 3.39Å; L107-T109 HydrophobicContact CD2-CG2 4.22Å; L107-Y136 WeakPolarHBondContact CA-O 3.48Å; L107-A138 HydrophobicContact CD2-CB 4.22Å; L107-L143 HydrophobicContact CD2-CD1 4.11Å; L107-L349 HydrophobicContact CD1-CD2 4.25Å; L107-A350 HydrophobicContact CD1-CB 4.14Å; L107-F355 HydrophobicContact CD1-CE1 4.26Å; L107-F355 HydrophobicContact CD1-CZ 4.2Å; L107-W359 HydrophobicContact CB-CH2 3.89Å; L107-W359 HydrophobicContact CB-CZ3 4.13Å
108L98.6Very high96.8Very high0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-99.4145.9171.3-61.1-180000110.1I13 W89 V106 M122 M126 M135 Y136 V137 A138I13-L108 HydrophobicContact CB-CD2 3.86Å; I13-L108 HydrophobicContact CD1-CD2 4.04Å; I13-L108 HydrophobicContact CG1-CD2 4.38Å; I13-L108 HydrophobicContact CG2-CD2 4.38Å; W89-L108 HydrophobicContact CH2-CD1 4.13Å; W89-L108 HydrophobicContact CZ2-CD1 3.87Å; W89-L108 HydrophobicContact CZ2-CD2 4.41Å; V106-L108 HydrophobicContact CG1-CD2 3.75Å; V106-L108 HydrophobicContact CG1-CG 4.13Å; L108-M122 HydrophobicContact CB-CE 3.52Å; L108-M122 HydrophobicContact CD1-CB 4.12Å; L108-M122 HydrophobicContact CD1-CE 3.62Å; L108-M122 HydrophobicContact CG-CE 4.22Å; L108-M126 HydrophobicContact CD1-CE 4.02Å; L108-M126 HydrophobicContact CD1-CG 3.67Å; L108-M126 HydrophobicContact CD1-SD 4.08Å; L108-M126 HydrophobicContact CD2-CE 4.35Å; L108-M126 HydrophobicContact CD2-SD 4.38Å; L108-M126 HydrophobicContact CG-CG 4.48Å; L108-M135 HydrophobicContact CD1-CE 4.43Å; L108-Y136 PolarHBondContact N-O 3.41Å; L108-V137 WeakPolarHBondContact O-CA 3.39Å; L108-A138 PolarHBondContact O-N 2.86Å
109T97.9Very high96.8Very high1 Ų137.5 Ų37.51%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-98.8153.5171.775.70000112.1I13 D14 N15 L107 A138 Q140 L143 V342I13-T109 PolarHBondContact O-N 2.96Å; D14-T109 VanDerWaalsContact CA-OG1 3.28Å; D14-T109 WeakPolarHBondContact CA-OG1 3.44Å; D14-T109 HydrophobicContact CB-CG2 4.14Å; D14-T109 PolarHBondContact OD1-OG1 2.87Å; D14-T109 VanDerWaalsContact OD1-OG1 3.14Å; N15-T109 PolarHBondContact N-OG1 2.84Å; N15-T109 PolarHBondContact ND2-O 2.86Å; L107-T109 HydrophobicContact CD2-CG2 4.22Å; T109-A138 CarbonylContact C-O 3.54Å; T109-A138 VanDerWaalsContact CA-O 3.27Å; T109-A138 WeakPolarHBondContact CA-O 3.47Å; T109-Q140 PolarHBondContact OG1-NE2 2.76Å; T109-L143 HydrophobicContact CG2-CD1 3.62Å; T109-V342 HydrophobicContact CG2-CG1 3.83Å
110E96.9Very high96.8Very high13 Ų1339.8 Ų39.86%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-135.9151.8173.468.6-177.4167.200112.6N114 R119 V137 A138 Q140E110-N114 HydrophobicContact CB-CB 4.14Å; E110-N114 HydrophobicContact CG-CB 4.34Å; E110-N114 WeakPolarHBondContact OE2-CB 3.33Å; E110-N114 PolarHBondContact OE2-ND2 3.49Å; E110-R119 IonicContact OE1-CZ 2.7Å; E110-R119 VanDerWaalsContact OE1-CZ 3.22Å; E110-R119 IonicContact OE1-NE 3.66Å; E110-R119 PolarHBondContact OE1-NE 3.08Å; E110-R119 IonicContact OE1-NH2 3.83Å; E110-R119 PolarHBondContact OE1-NH2 3.09Å; E110-R119 VanDerWaalsContact OE2-CG 3.27Å; E110-R119 WeakPolarHBondContact OE2-CG 3.42Å; E110-R119 IonicContact OE2-NE 3.7Å; E110-R119 PolarHBondContact OE2-NE 2.75Å; E110-V137 HydrophobicContact CB-CG1 3.91Å; E110-V137 HydrophobicContact CG-CG1 3.66Å; E110-V137 WeakPolarHBondContact OE2-CG1 3.22Å; E110-A138 PolarHBondContact N-O 2.75Å; E110-Q140 WeakPolarHBondContact O-CG 3.19Å; E110-Q140 PolarHBondContact O-N 3.12Å
111A95.1Very high96.8Very high1 Ų141.7 Ų41.71%0.00821%0.212CC..  trans-65.4151.3170.500000110.8G77 M113 N114G77-A111 WeakPolarHBondContact O-CB 3.43Å; A111-M113 PolarHBondContact O-N 3.1Å; A111-N114 WeakPolarHBondContact O-CB 3.27Å; A111-N114 PolarHBondContact O-N 3.31Å
112P93.3Very high96.9Very high1 Ų142 Ų421%0.00621%0.213CC..THydrogen-bonded Turntrans-53.5142.3169.4-22.332.8000111.2N114 I139 H164 V166 I178P112-N114 PolarHBondContact O-N 2.89Å; P112-I139 HydrophobicContact CB-CG2 4.42Å; P112-I139 HydrophobicContact CG-CG2 4Å; P112-H164 HydrophobicContact CG-CB 4.04Å; P112-V166 HydrophobicContact CB-CG2 4.06Å; P112-V166 HydrophobicContact CG-CG2 3.45Å; P112-V166 VanDerWaalsContact CG-CG2 3.45Å; P112-I178 HydrophobicContact CB-CD1 4.26Å; P112-I178 HydrophobicContact CB-CG2 3.87Å
113M90.2Very high96.9Very high136 Ų13637.3 Ų37.367%0.6719%0.191SC*.THydrogen-bonded Turntrans62.324.4179.9-53.5-64.9-69.100114.8A111 I178A111-M113 PolarHBondContact O-N 3.1Å; M113-I178 HydrophobicContact CG-CG2 4.27Å
114N95Very high96.9Very high20 Ų2034.4 Ų34.411%0.10718%0.178CC..  trans-55134.3172.8-171.736.1000111E110 A111 P112 K116 N118E110-N114 HydrophobicContact CB-CB 4.14Å; E110-N114 HydrophobicContact CG-CB 4.34Å; E110-N114 WeakPolarHBondContact OE2-CB 3.33Å; E110-N114 PolarHBondContact OE2-ND2 3.49Å; A111-N114 WeakPolarHBondContact O-CB 3.27Å; A111-N114 PolarHBondContact O-N 3.31Å; P112-N114 PolarHBondContact O-N 2.89Å; N114-K116 PolarHBondContact O-N 2.82Å; N114-N118 WeakPolarHBondContact OD1-CB 3.39Å
115P96.2Very high97Very high57 Ų5733.5 Ų33.537%0.3717%0.174SC..  trans-54.9139.8179-29.336000112.8A117 N118 R119P115-A117 PolarHBondContact O-N 3.26Å; P115-N118 HydrophobicContact CB-CB 4.37Å; P115-N118 WeakPolarHBondContact O-CA 3.49Å; P115-N118 WeakPolarHBondContact O-CB 3.37Å; P115-N118 PolarHBondContact O-N 3.1Å; P115-R119 PolarHBondContact O-N 3.02Å
116K96.3Very high97Very high144 Ų14432.3 Ų32.363%0.62617%0.166SC*.Hα-helixtrans-55.6-40.4178.3-75.4-169.6174.6-175.40113N114 N118 R119 E120 H374N114-K116 PolarHBondContact O-N 2.82Å; K116-N118 PolarHBondContact O-N 3.37Å; K116-R119 WeakPolarHBondContact O-CB 3.46Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.14Å; K116-E120 PolarHBondContact O-N 3.2Å; K116-H374 VanDerWaalsContact CB-CE1 3.45Å; K116-H374 WeakPolarHBondContact CB-CE1 3.11Å; K116-H374 PolarHBondContact O-CE1 3.03Å
117A97.6Very high97Very high64 Ų6432.4 Ų32.453%0.52917%0.166SC..Hα-helixtrans-59.7-34.1175.900000112.2P115 E120 K121P115-A117 PolarHBondContact O-N 3.26Å; A117-E120 PolarHBondContact O-N 3.45Å; A117-K121 WeakPolarHBondContact O-CB 3.46Å; A117-K121 PolarHBondContact O-N 2.99Å
118N97.9Very high97Very high19 Ų1937.4 Ų37.410%0.10219%0.19CC..Hα-helixtrans-69-42.3176.1-75.221000111.1I78 V79 W82 N114 P115 K116 E120 K121 M122I78-N118 WeakPolarHBondContact CG2-ND2 3.36Å; V79-N118 PolarHBondContact O-ND2 2.95Å; W82-N118 HydrophobicContact CH2-CB 4.26Å; W82-N118 WeakPolarHBondContact CH2-O 3.46Å; W82-N118 HydrophobicContact CZ2-CB 3.77Å; N114-N118 WeakPolarHBondContact OD1-CB 3.39Å; P115-N118 HydrophobicContact CB-CB 4.37Å; P115-N118 WeakPolarHBondContact O-CA 3.49Å; P115-N118 WeakPolarHBondContact O-CB 3.37Å; P115-N118 PolarHBondContact O-N 3.1Å; K116-N118 PolarHBondContact O-N 3.37Å; N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 3.13Å; N118-K121 PolarHBondContact O-N 3.27Å; N118-K121 VanDerWaalsContact O-N 3.15Å; N118-M122 VanDerWaalsContact O-CG 3.25Å; N118-M122 WeakPolarHBondContact O-CG 3.47Å; N118-M122 PolarHBondContact O-N 3.19Å
119R97.1Very high97Very high23 Ų2340.8 Ų40.89%0.08721%0.211CC..Hα-helixtrans-58.7-44.7175.1-51.6-173.484.7-157.714.9111.8E110 P115 K116 K121 M122 T123 V373 C377E110-R119 IonicContact OE1-CZ 2.7Å; E110-R119 VanDerWaalsContact OE1-CZ 3.22Å; E110-R119 IonicContact OE1-NE 3.66Å; E110-R119 PolarHBondContact OE1-NE 3.08Å; E110-R119 IonicContact OE1-NH2 3.83Å; E110-R119 PolarHBondContact OE1-NH2 3.09Å; E110-R119 VanDerWaalsContact OE2-CG 3.27Å; E110-R119 WeakPolarHBondContact OE2-CG 3.42Å; E110-R119 IonicContact OE2-NE 3.7Å; E110-R119 PolarHBondContact OE2-NE 2.75Å; P115-R119 PolarHBondContact O-N 3.02Å; K116-R119 WeakPolarHBondContact O-CB 3.46Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.14Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-M122 PolarHBondContact O-N 3.21Å; R119-T123 WeakPolarHBondContact O-CB 3.33Å; R119-T123 PolarHBondContact O-N 3.25Å; R119-T123 PolarHBondContact O-OG1 3.31Å; R119-V373 HydrophobicContact CB-CG1 3.71Å; R119-V373 HydrophobicContact CB-CG2 4.22Å; R119-C377 VanDerWaalsContact CZ-O 3.3Å; R119-C377 PolarHBondContact NH1-O 3.13Å; R119-C377 PolarHBondContact NH2-O 3.49Å
120E98.3Very high97Very high71 Ų7141.1 Ų41.133%0.33221%0.212SC..Hα-helixtrans-61.3-44.1175.5-72.6172.5-154.600110.9K116 A117 N118 T123 Q124 P370 V373 H374K116-E120 PolarHBondContact O-N 3.2Å; A117-E120 PolarHBondContact O-N 3.45Å; N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 3.13Å; E120-T123 WeakPolarHBondContact O-CB 3.17Å; E120-T123 PolarHBondContact O-N 3.09Å; E120-T123 VanDerWaalsContact O-N 3.15Å; E120-Q124 WeakPolarHBondContact O-CB 3.41Å; E120-Q124 PolarHBondContact O-N 2.88Å; E120-P370 HydrophobicContact CB-CB 3.76Å; E120-P370 HydrophobicContact CG-CB 4.07Å; E120-V373 HydrophobicContact CG-CG1 4.43Å; E120-H374 WeakPolarHBondContact CG-NE2 3.49Å; E120-H374 IonicContact OE1-CD2 3.97Å; E120-H374 PolarHBondContact OE1-CD2 2.76Å; E120-H374 IonicContact OE1-CE1 3.49Å; E120-H374 IonicContact OE1-NE2 3.13Å; E120-H374 PolarHBondContact OE1-NE2 2.95Å
121K98.5Very high97.1Very high63 Ų6344 Ų4427%0.27423%0.228SC..Hα-helixtrans-67.4-39.7179.9-169.258.5179.3172.10113.1W82 A117 N118 R119 T123 Q124 I125W82-K121 HydrophobicContact CD2-CB 4.13Å; W82-K121 HydrophobicContact CD2-CG 3.34Å; W82-K121 VanDerWaalsContact CE2-CG 3.45Å; W82-K121 HydrophobicContact CE3-CB 4.4Å; W82-K121 HydrophobicContact CE3-CG 3.71Å; W82-K121 HydrophobicContact CG-CG 3.74Å; W82-K121 HydrophobicContact CH2-CB 4.07Å; W82-K121 HydrophobicContact CH2-CG 4.27Å; W82-K121 HydrophobicContact CZ2-CB 3.75Å; W82-K121 HydrophobicContact CZ2-CG 3.94Å; W82-K121 HydrophobicContact CZ3-CB 4.36Å; W82-K121 HydrophobicContact CZ3-CG 4.15Å; A117-K121 WeakPolarHBondContact O-CB 3.46Å; A117-K121 PolarHBondContact O-N 2.99Å; N118-K121 PolarHBondContact O-N 3.27Å; N118-K121 VanDerWaalsContact O-N 3.15Å; R119-K121 VanDerWaalsContact C-N 3.34Å; K121-T123 VanDerWaalsContact C-N 3.25Å; K121-T123 PolarHBondContact O-N 3.11Å; K121-Q124 VanDerWaalsContact NZ-OE1 3.12Å; K121-Q124 PolarHBondContact O-N 2.85Å; K121-I125 HydrophobicContact CD-CD1 4.24Å; K121-I125 HydrophobicContact CD-CG1 4.41Å; K121-I125 HydrophobicContact CG-CD1 3.97Å; K121-I125 WeakPolarHBondContact O-CD1 3.49Å; K121-I125 VanDerWaalsContact O-CG1 3.28Å; K121-I125 WeakPolarHBondContact O-CG1 3.48Å; K121-I125 PolarHBondContact O-N 3.47Å
122M98.3Very high97.3Very high5 Ų544 Ų443%0.02523%0.227CC..Hα-helixtrans-56-45.3170.1-64.4169.771.600110.5W82 W89 L108 N118 R119 I125 M126 V137W82-M122 HydrophobicContact CH2-CG 3.55Å; W82-M122 HydrophobicContact CZ3-CG 3.84Å; W89-M122 HydrophobicContact CH2-CB 4.19Å; W89-M122 HydrophobicContact CH2-CG 3.95Å; W89-M122 HydrophobicContact CZ2-CG 4.46Å; L108-M122 HydrophobicContact CB-CE 3.52Å; L108-M122 HydrophobicContact CD1-CB 4.12Å; L108-M122 HydrophobicContact CD1-CE 3.62Å; L108-M122 HydrophobicContact CG-CE 4.22Å; N118-M122 VanDerWaalsContact O-CG 3.25Å; N118-M122 WeakPolarHBondContact O-CG 3.47Å; N118-M122 PolarHBondContact O-N 3.19Å; R119-M122 PolarHBondContact O-N 3.21Å; M122-I125 PolarHBondContact O-N 2.84Å; M122-M126 WeakPolarHBondContact O-CG 3.3Å; M122-M126 PolarHBondContact O-N 2.72Å; M122-M126 VanDerWaalsContact O-N 3.11Å; M122-V137 HydrophobicContact CE-CG1 4.05Å; M122-V137 HydrophobicContact CE-CG2 4.31Å; M122-V137 HydrophobicContact SD-CG1 4.4Å
123T98.3Very high97.5Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-64.1-48.3-178.6-54.20000111.7R119 E120 K121 I125 M126 F127 M135 Y365 I372 V373R119-T123 WeakPolarHBondContact O-CB 3.33Å; R119-T123 PolarHBondContact O-N 3.25Å; R119-T123 PolarHBondContact O-OG1 3.31Å; E120-T123 WeakPolarHBondContact O-CB 3.17Å; E120-T123 PolarHBondContact O-N 3.09Å; E120-T123 VanDerWaalsContact O-N 3.15Å; K121-T123 VanDerWaalsContact C-N 3.25Å; K121-T123 PolarHBondContact O-N 3.11Å; T123-I125 PolarHBondContact O-N 3.46Å; T123-M126 PolarHBondContact O-N 2.84Å; T123-F127 HydrophobicContact CG2-CD2 3.85Å; T123-F127 HydrophobicContact CG2-CE2 3.86Å; T123-F127 VanDerWaalsContact O-CD2 3.32Å; T123-F127 WeakPolarHBondContact O-CD2 3.34Å; T123-F127 PolarHBondContact O-N 3.29Å; T123-M135 VanDerWaalsContact CA-SD 3.52Å; T123-M135 HydrophobicContact CG2-SD 3.89Å; T123-Y365 HydrophobicContact CG2-CD2 3.8Å; T123-Y365 HydrophobicContact CG2-CE2 3.98Å; T123-I372 HydrophobicContact CG2-CG2 4.41Å; T123-V373 WeakPolarHBondContact OG1-CB 3.07Å
124Q98.4Very high97.8Very high59 Ų5940.3 Ų40.328%0.27621%0.214SC..Hα-helixtrans-55.8-50176.5-171.1-170.18.700111.4E120 K121 M126 F127 E128 P370E120-Q124 WeakPolarHBondContact O-CB 3.41Å; E120-Q124 PolarHBondContact O-N 2.88Å; K121-Q124 VanDerWaalsContact NZ-OE1 3.12Å; K121-Q124 PolarHBondContact O-N 2.85Å; Q124-M126 PolarHBondContact O-N 2.79Å; Q124-F127 PolarHBondContact O-N 2.83Å; Q124-E128 HydrophobicContact CG-CG 4.15Å; Q124-E128 VanDerWaalsContact CG-OE2 3.25Å; Q124-E128 WeakPolarHBondContact CG-OE2 3.43Å; Q124-E128 PolarHBondContact NE2-OE2 2.86Å; Q124-E128 VanDerWaalsContact O-CB 3.25Å; Q124-E128 WeakPolarHBondContact O-CB 3.19Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 3.47Å; Q124-P370 HydrophobicContact CB-CG 4.14Å
125I98.6Very high98Very high1 Ų139.3 Ų39.31%0.00521%0.209CC..Iπ-helixtrans-64.1-44.3-176-69.8165.3000111.6W82 E86 W89 K121 M122 T123 F127 T129 F130W82-I125 HydrophobicContact CD2-CD1 4.25Å; W82-I125 HydrophobicContact CE3-CD1 3.45Å; W82-I125 VanDerWaalsContact CE3-CD1 3.45Å; W82-I125 HydrophobicContact CZ3-CD1 4.05Å; E86-I125 HydrophobicContact CG-CD1 3.76Å; E86-I125 HydrophobicContact CG-CG1 4.15Å; E86-I125 HydrophobicContact CG-CG2 3.75Å; E86-I125 WeakPolarHBondContact OE1-CD1 3.36Å; E86-I125 WeakPolarHBondContact OE1-CG1 3.46Å; W89-I125 HydrophobicContact CE3-CG2 3.75Å; W89-I125 HydrophobicContact CZ3-CB 3.98Å; W89-I125 HydrophobicContact CZ3-CD1 3.84Å; W89-I125 HydrophobicContact CZ3-CG2 3.62Å; K121-I125 HydrophobicContact CD-CD1 4.24Å; K121-I125 HydrophobicContact CD-CG1 4.41Å; K121-I125 HydrophobicContact CG-CD1 3.97Å; K121-I125 WeakPolarHBondContact O-CD1 3.49Å; K121-I125 VanDerWaalsContact O-CG1 3.28Å; K121-I125 WeakPolarHBondContact O-CG1 3.48Å; K121-I125 PolarHBondContact O-N 3.47Å; M122-I125 PolarHBondContact O-N 2.84Å; T123-I125 PolarHBondContact O-N 3.46Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 2.9Å; I125-T129 WeakPolarHBondContact O-CA 3.41Å; I125-T129 VanDerWaalsContact O-CB 3.25Å; I125-T129 WeakPolarHBondContact O-CB 3.25Å; I125-T129 PolarHBondContact O-N 3.19Å; I125-F130 HydrophobicContact CG2-CD2 3.7Å; I125-F130 HydrophobicContact CG2-CE2 3.55Å; I125-F130 PolarHBondContact O-N 3.37Å; I125-F130 VanDerWaalsContact O-N 3.07Å
126M98.5Very high98Very high0 Ų037.6 Ų37.60%020%0.196CC..Iπ-helixtrans-62-41.2-179.5-71.4-64.3124.700112W89 F93 V106 L108 M122 T123 Q124 F130 N131 S132 M135W89-M126 HydrophobicContact CB-CE 4.27Å; W89-M126 HydrophobicContact CD2-CE 3.38Å; W89-M126 HydrophobicContact CE3-CE 3.27Å; W89-M126 HydrophobicContact CG-CE 3.87Å; W89-M126 HydrophobicContact CH2-CE 4.06Å; W89-M126 HydrophobicContact CZ2-CE 4.21Å; W89-M126 HydrophobicContact CZ3-CE 3.62Å; F93-M126 HydrophobicContact CE2-CE 4.29Å; F93-M126 HydrophobicContact CE2-SD 4.34Å; F93-M126 HydrophobicContact CZ-CE 4.48Å; F93-M126 HydrophobicContact CZ-SD 4.12Å; V106-M126 HydrophobicContact CB-SD 4.43Å; V106-M126 HydrophobicContact CG1-SD 4.11Å; L108-M126 HydrophobicContact CD1-CE 4.02Å; L108-M126 HydrophobicContact CD1-CG 3.67Å; L108-M126 HydrophobicContact CD1-SD 4.08Å; L108-M126 HydrophobicContact CD2-CE 4.35Å; L108-M126 HydrophobicContact CD2-SD 4.38Å; L108-M126 HydrophobicContact CG-CG 4.48Å; M122-M126 WeakPolarHBondContact O-CG 3.3Å; M122-M126 PolarHBondContact O-N 2.72Å; M122-M126 VanDerWaalsContact O-N 3.11Å; T123-M126 PolarHBondContact O-N 2.84Å; Q124-M126 PolarHBondContact O-N 2.79Å; M126-F130 HydrophobicContact CE-CD2 3.68Å; M126-F130 HydrophobicContact CE-CE2 3.96Å; M126-F130 CarbonylContact O-C 3.57Å; M126-F130 HydrophobicContact SD-CD2 4.26Å; M126-N131 PolarHBondContact O-N 3.18Å; M126-S132 PolarHBondContact O-N 3.05Å; M126-M135 HydrophobicContact CB-SD 3.58Å; M126-M135 VanDerWaalsContact CB-SD 3.58Å; M126-M135 HydrophobicContact CG-CE 4.42Å; M126-M135 HydrophobicContact CG-SD 3.99Å
127F98.6Very high98.1Very high3 Ų330.8 Ų30.81%0.01317%0.166CC..Iπ-helixtrans-82-42.8179.8-73.6-61.7000114.2T123 Q124 I125 N131 S132 M135 I360 K362 Y365T123-F127 HydrophobicContact CG2-CD2 3.85Å; T123-F127 HydrophobicContact CG2-CE2 3.86Å; T123-F127 VanDerWaalsContact O-CD2 3.32Å; T123-F127 WeakPolarHBondContact O-CD2 3.34Å; T123-F127 PolarHBondContact O-N 3.29Å; Q124-F127 PolarHBondContact O-N 2.83Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 2.9Å; F127-N131 VanDerWaalsContact O-CA 3.3Å; F127-N131 WeakPolarHBondContact O-CA 3.45Å; F127-N131 PolarHBondContact O-N 2.73Å; F127-S132 WeakPolarHBondContact CD1-O 3.43Å; F127-S132 WeakPolarHBondContact CE1-O 3.39Å; F127-M135 HydrophobicContact CD2-CG 4.32Å; F127-M135 HydrophobicContact CD2-SD 4.05Å; F127-M135 HydrophobicContact CE1-CG 4.5Å; F127-M135 HydrophobicContact CE2-CG 3.5Å; F127-M135 HydrophobicContact CE2-SD 3.73Å; F127-M135 HydrophobicContact CZ-CG 3.62Å; F127-M135 HydrophobicContact CZ-SD 4.4Å; F127-I360 HydrophobicContact CE2-CG2 3.87Å; F127-I360 HydrophobicContact CZ-CB 4.38Å; F127-I360 HydrophobicContact CZ-CG2 3.9Å; F127-I360 WeakPolarHBondContact CZ-O 3.16Å; F127-K362 HydrophobicContact CD1-CB 4.04Å; F127-K362 HydrophobicContact CD1-CG 4.13Å; F127-K362 VanDerWaalsContact CE1-CA 3.47Å; F127-K362 HydrophobicContact CE1-CB 3.93Å; F127-Y365 HydrophobicContact CB-CD1 3.68Å; F127-Y365 HydrophobicContact CB-CD2 4.37Å; F127-Y365 HydrophobicContact CB-CE1 3.76Å; F127-Y365 HydrophobicContact CB-CE2 4.4Å; F127-Y365 HydrophobicContact CB-CG 4Å; F127-Y365 HydrophobicContact CD1-CG 4.49Å; F127-Y365 AromaticContact CD2-CD1 3.96Å; F127-Y365 HydrophobicContact CD2-CD1 3.96Å; F127-Y365 AromaticContact CD2-CD2 3.35Å; F127-Y365 HydrophobicContact CD2-CD2 3.35Å; F127-Y365 AromaticContact CD2-CE2 3.95Å; F127-Y365 HydrophobicContact CD2-CE2 3.95Å; F127-Y365 AromaticContact CD2-CG 3.34Å; F127-Y365 HydrophobicContact CD2-CG 3.34Å; F127-Y365 AromaticContact CE2-CD2 3.88Å; F127-Y365 HydrophobicContact CE2-CD2 3.88Å; F127-Y365 AromaticContact CE2-CG 3.85Å; F127-Y365 HydrophobicContact CE2-CG 3.85Å; F127-Y365 AromaticContact CG-CD1 3.86Å; F127-Y365 HydrophobicContact CG-CD1 3.86Å; F127-Y365 HydrophobicContact CG-CD2 4.11Å; F127-Y365 HydrophobicContact CG-CE1 4.39Å; F127-Y365 AromaticContact CG-CG 3.71Å; F127-Y365 HydrophobicContact CG-CG 3.71Å
128E98.4Very high98.1Very high105 Ų10528.1 Ų28.149%0.49114%0.144SC..Iπ-helixtrans-86.2-43.6-173.3-63.5-179.1-174.400112.5Q124 Y365Q124-E128 HydrophobicContact CG-CG 4.15Å; Q124-E128 VanDerWaalsContact CG-OE2 3.25Å; Q124-E128 WeakPolarHBondContact CG-OE2 3.43Å; Q124-E128 PolarHBondContact NE2-OE2 2.86Å; Q124-E128 VanDerWaalsContact O-CB 3.25Å; Q124-E128 WeakPolarHBondContact O-CB 3.19Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 3.47Å; E128-Y365 HydrophobicContact CG-CE1 4.13Å; E128-Y365 PolarHBondContact OE1-OH 3.23Å
129T98.3Very high98Very high71 Ų7128.1 Ų28.144%0.43614%0.144SC..Iπ-helixtrans-85.6-51.7-178.4-54.10000111I125I125-T129 WeakPolarHBondContact O-CA 3.41Å; I125-T129 VanDerWaalsContact O-CB 3.25Å; I125-T129 WeakPolarHBondContact O-CB 3.25Å; I125-T129 PolarHBondContact O-N 3.19Å
130F98.4Very high98.1Very high8 Ų827.7 Ų27.74%0.03514%0.143CC..SBendtrans-93.9-6.3-174.5-65.5-67.1000114.3W89 H90 F93 Y94 P101 I125 M126 S132W89-F130 HydrophobicContact CB-CE2 3.74Å; W89-F130 HydrophobicContact CB-CZ 3.73Å; W89-F130 HydrophobicContact CE3-CE2 4.06Å; H90-F130 HydrophobicContact CB-CE1 4.09Å; H90-F130 HydrophobicContact CB-CZ 4.21Å; F93-F130 AromaticContact CD2-CD1 3.77Å; F93-F130 HydrophobicContact CD2-CD1 3.77Å; F93-F130 AromaticContact CD2-CE1 3.87Å; F93-F130 HydrophobicContact CD2-CE1 3.87Å; F93-F130 HydrophobicContact CD2-CG 4.2Å; F93-F130 HydrophobicContact CD2-CZ 4.39Å; F93-F130 HydrophobicContact CE2-CB 4.38Å; F93-F130 AromaticContact CE2-CD1 3.92Å; F93-F130 HydrophobicContact CE2-CD1 3.92Å; F93-F130 HydrophobicContact CE2-CD2 4.08Å; F93-F130 HydrophobicContact CE2-CE1 4.21Å; F93-F130 HydrophobicContact CE2-CE2 4.35Å; F93-F130 AromaticContact CE2-CG 3.86Å; F93-F130 HydrophobicContact CE2-CG 3.86Å; F93-F130 HydrophobicContact CE2-CZ 4.42Å; Y94-F130 HydrophobicContact CE2-CE1 4.45Å; P101-F130 HydrophobicContact CB-CB 4.02Å; P101-F130 HydrophobicContact CG-CB 3.95Å; P101-F130 HydrophobicContact CG-CD1 3.95Å; P101-F130 HydrophobicContact CG-CG 4.37Å; I125-F130 HydrophobicContact CG2-CD2 3.7Å; I125-F130 HydrophobicContact CG2-CE2 3.55Å; I125-F130 PolarHBondContact O-N 3.37Å; I125-F130 VanDerWaalsContact O-N 3.07Å; M126-F130 HydrophobicContact CE-CD2 3.68Å; M126-F130 HydrophobicContact CE-CE2 3.96Å; M126-F130 CarbonylContact O-C 3.57Å; M126-F130 HydrophobicContact SD-CD2 4.26Å; F130-S132 PolarHBondContact O-N 2.96Å; F130-S132 VanDerWaalsContact O-N 3.09Å
131N98.1Very high98Very high73 Ų7324.3 Ų24.339%0.3913%0.127SC..  trans54.426.8177.9-70.2-74.4000114.9E102 M126 F127 K362E102-N131 WeakPolarHBondContact CA-O 3.39Å; E102-N131 HydrophobicContact CB-CB 4.02Å; M126-N131 PolarHBondContact O-N 3.18Å; F127-N131 VanDerWaalsContact O-CA 3.3Å; F127-N131 WeakPolarHBondContact O-CA 3.45Å; F127-N131 PolarHBondContact O-N 2.73Å; N131-K362 PolarHBondContact OD1-NZ 2.93Å; N131-K362 VanDerWaalsContact OD1-NZ 3.07Å
132S98.2Very high97.9Very high0 Ų022.1 Ų22.10%012%0.119CC..  trans-54.1134.1177.9-63.50000110.9V106 M126 F127 F130 A134V106-S132 WeakPolarHBondContact CG2-OG 3.35Å; M126-S132 PolarHBondContact O-N 3.05Å; F127-S132 WeakPolarHBondContact CD1-O 3.43Å; F127-S132 WeakPolarHBondContact CE1-O 3.39Å; F130-S132 PolarHBondContact O-N 2.96Å; F130-S132 VanDerWaalsContact O-N 3.09Å; S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 3.33Å
133P97.6Very high97.9Very high50 Ų5022 Ų2233%0.32512%0.118SC..SBendtrans-68.3-28.9-17826.2-35000112.3E102 H104 K362E102-P133 WeakPolarHBondContact O-CD 3.26Å; H104-P133 VanDerWaalsContact O-CD 3.31Å; H104-P133 WeakPolarHBondContact O-CD 3.35Å; P133-K362 PolarHBondContact O-N 3.18Å
134A97.9Very high97.9Very high10 Ų1022 Ų228%0.08312%0.118CC..EExtended strand (participates in β ladder)trans-155.1157.2177.200000110.8P105 V106 S132 W359 I360P105-A134 CarbonylContact C-O 3.54Å; P105-A134 VanDerWaalsContact CA-O 3.27Å; P105-A134 WeakPolarHBondContact CA-O 3.3Å; P105-A134 HydrophobicContact CB-CB 4.13Å; P105-A134 HydrophobicContact CG-CB 4.48Å; V106-A134 PolarHBondContact N-O 3.46Å; S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 3.33Å; A134-W359 HydrophobicContact CB-CB 4.11Å; A134-W359 HydrophobicContact CB-CG 4.45Å; A134-I360 CarbonylContact C-O 3.47Å; A134-I360 WeakPolarHBondContact CA-O 3.31Å; A134-I360 WeakPolarHBondContact CB-O 3.34Å
135M97.8Very high97.8Very high0 Ų019.1 Ų19.10%011%0.105CC..EExtended strand (participates in β ladder)trans-151.7165.1174.466.8165.4-75.200113.6V106 L108 T123 M126 F127 V137 W359 I360V106-M135 CarbonylContact O-C 3.58Å; V106-M135 WeakPolarHBondContact O-CA 3.4Å; V106-M135 VanDerWaalsContact O-CB 3.28Å; V106-M135 WeakPolarHBondContact O-CB 3.25Å; L108-M135 HydrophobicContact CD1-CE 4.43Å; T123-M135 VanDerWaalsContact CA-SD 3.52Å; T123-M135 HydrophobicContact CG2-SD 3.89Å; M126-M135 HydrophobicContact CB-SD 3.58Å; M126-M135 VanDerWaalsContact CB-SD 3.58Å; M126-M135 HydrophobicContact CG-CE 4.42Å; M126-M135 HydrophobicContact CG-SD 3.99Å; F127-M135 HydrophobicContact CD2-CG 4.32Å; F127-M135 HydrophobicContact CD2-SD 4.05Å; F127-M135 HydrophobicContact CE1-CG 4.5Å; F127-M135 HydrophobicContact CE2-CG 3.5Å; F127-M135 HydrophobicContact CE2-SD 3.73Å; F127-M135 HydrophobicContact CZ-CG 3.62Å; F127-M135 HydrophobicContact CZ-SD 4.4Å; M135-V137 HydrophobicContact CE-CG2 3.53Å; M135-W359 VanDerWaalsContact C-CE3 3.41Å; M135-I360 HydrophobicContact CG-CB 4.49Å; M135-I360 PolarHBondContact N-O 2.83Å; M135-I360 WeakPolarHBondContact O-CB 3.25Å; M135-I360 PolarHBondContact O-N 3.35Å
136Y98.1Very high97.6Very high21 Ų2122 Ų228%0.08212%0.116CC..EExtended strand (participates in β ladder)trans-147.6147.7172.9-167.7-92.3000110.1V106 L107 L108 A138 F355 M358 C377V106-Y136 PolarHBondContact O-N 3.14Å; L107-Y136 WeakPolarHBondContact CA-O 3.48Å; L108-Y136 PolarHBondContact N-O 3.41Å; Y136-A138 HydrophobicContact CD1-CB 4.06Å; Y136-A138 HydrophobicContact CE1-CB 3.96Å; Y136-F355 HydrophobicContact CD1-CE2 4.29Å; Y136-F355 AromaticContact CD1-CZ 3.63Å; Y136-F355 HydrophobicContact CD1-CZ 3.63Å; Y136-F355 HydrophobicContact CD2-CE2 4.42Å; Y136-F355 AromaticContact CD2-CZ 3.9Å; Y136-F355 HydrophobicContact CD2-CZ 3.9Å; Y136-F355 HydrophobicContact CE1-CE2 4.23Å; Y136-F355 HydrophobicContact CE1-CZ 4.03Å; Y136-F355 HydrophobicContact CE2-CE2 4.36Å; Y136-F355 HydrophobicContact CE2-CZ 4.27Å; Y136-F355 HydrophobicContact CG-CE1 4.36Å; Y136-F355 HydrophobicContact CG-CE2 4.39Å; Y136-F355 AromaticContact CG-CZ 3.56Å; Y136-F355 HydrophobicContact CG-CZ 3.56Å; Y136-M358 HydrophobicContact CD2-CB 4.38Å; Y136-M358 WeakPolarHBondContact CD2-O 3.19Å; Y136-M358 HydrophobicContact CE2-CB 4.1Å; Y136-M358 HydrophobicContact CE2-CE 4.25Å; Y136-C377 WeakPolarHBondContact CD2-SG 3.18Å; Y136-C377 HydrophobicContact CE2-CB 4.22Å; Y136-C377 WeakPolarHBondContact CE2-SG 3.39Å
137V98Very high97.5Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-114123.9174.2-173.90000109.2L108 E110 M122 M135 V373 C377L108-V137 WeakPolarHBondContact O-CA 3.39Å; E110-V137 HydrophobicContact CB-CG1 3.91Å; E110-V137 HydrophobicContact CG-CG1 3.66Å; E110-V137 WeakPolarHBondContact OE2-CG1 3.22Å; M122-V137 HydrophobicContact CE-CG1 4.05Å; M122-V137 HydrophobicContact CE-CG2 4.31Å; M122-V137 HydrophobicContact SD-CG1 4.4Å; M135-V137 HydrophobicContact CE-CG2 3.53Å; V137-V373 HydrophobicContact CB-CG2 4.28Å; V137-V373 HydrophobicContact CG2-CG2 3.94Å; V137-C377 HydrophobicContact CB-CB 4.48Å; V137-C377 PolarHBondContact N-SG 3.04Å; V137-C377 VanDerWaalsContact N-SG 3.41Å; V137-C377 WeakPolarHBondContact O-CB 3.22Å
138A97.2Very high97.3Very high8 Ų823.9 Ų23.97%0.06613%0.131CC..EExtended strand (participates in β ladder)trans-124.1143-177.600000112.7L107 L108 T109 E110 Y136 Q140 L143L107-A138 HydrophobicContact CD2-CB 4.22Å; L108-A138 PolarHBondContact O-N 2.86Å; T109-A138 CarbonylContact C-O 3.54Å; T109-A138 VanDerWaalsContact CA-O 3.27Å; T109-A138 WeakPolarHBondContact CA-O 3.47Å; E110-A138 PolarHBondContact N-O 2.75Å; Y136-A138 HydrophobicContact CD1-CB 4.06Å; Y136-A138 HydrophobicContact CE1-CB 3.96Å; A138-Q140 PolarHBondContact O-N 3.02Å; A138-L143 HydrophobicContact CB-CD1 3.87Å; A138-L143 HydrophobicContact CB-CD2 3.87Å; A138-L143 HydrophobicContact CB-CG 3.97Å
139I96.6Very high97.1Very high20 Ų2022.4 Ų22.410%0.10314%0.144CC..EExtended strand (participates in β ladder)trans-70.3125.8178.3-59.5173.5000109.5P112 A141 V142 L143 A173P112-I139 HydrophobicContact CB-CG2 4.42Å; P112-I139 HydrophobicContact CG-CG2 4Å; I139-A141 VanDerWaalsContact C-N 3.29Å; I139-A141 HydrophobicContact CG2-CB 4.38Å; I139-A141 PolarHBondContact O-N 3.3Å; I139-V142 HydrophobicContact CB-CB 4.36Å; I139-V142 HydrophobicContact CB-CG2 3.95Å; I139-V142 HydrophobicContact CG2-CG2 4.21Å; I139-V142 PolarHBondContact O-N 3.21Å; I139-L143 PolarHBondContact O-N 3.27Å; I139-A173 HydrophobicContact CD1-CB 4.34Å
140Q97.5Very high97Very high13 Ų1321.6 Ų21.66%0.06113%0.133CC..Hα-helixtrans-51.4-46.2-176.8-73.2175.3-38.100113D14 N15 T109 E110 A138 V142 L143 S144 V342D14-Q140 PolarHBondContact OD1-NE2 3.05Å; N15-Q140 PolarHBondContact O-NE2 2.88Å; T109-Q140 PolarHBondContact OG1-NE2 2.76Å; E110-Q140 WeakPolarHBondContact O-CG 3.19Å; E110-Q140 PolarHBondContact O-N 3.12Å; A138-Q140 PolarHBondContact O-N 3.02Å; Q140-V142 PolarHBondContact O-N 3.11Å; Q140-L143 PolarHBondContact O-N 3.39Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 3.14Å; Q140-V342 HydrophobicContact CB-CG1 3.89Å; Q140-V342 HydrophobicContact CB-CG2 3.94Å; Q140-V342 HydrophobicContact CG-CG1 3.73Å; Q140-V342 HydrophobicContact CG-CG2 4.45Å
141A97Very high96.8Very high1 Ų125.2 Ų25.21%0.00816%0.156CC..Hα-helixtrans-64.2-37.1-179.700000113.3I139 L143 S144 L145 V155 V166I139-A141 VanDerWaalsContact C-N 3.29Å; I139-A141 HydrophobicContact CG2-CB 4.38Å; I139-A141 PolarHBondContact O-N 3.3Å; A141-L143 VanDerWaalsContact C-N 3.35Å; A141-S144 PolarHBondContact O-N 2.85Å; A141-L145 PolarHBondContact O-N 3.3Å; A141-V155 HydrophobicContact CB-CB 4.1Å; A141-V155 HydrophobicContact CB-CG1 4.06Å; A141-V155 WeakPolarHBondContact O-CG2 3.35Å; A141-V166 HydrophobicContact CB-CB 3.57Å; A141-V166 HydrophobicContact CB-CG1 3.95Å; A141-V166 HydrophobicContact CB-CG2 3.47Å; A141-V166 VanDerWaalsContact CB-CG2 3.47Å
142V96.9Very high96.8Very high17 Ų1722.8 Ų22.810%0.10314%0.143CC..Hα-helixtrans-64.8-43.5177.71780000110.2I139 Q140 S144 L145 Y146 I168 A173I139-V142 HydrophobicContact CB-CB 4.36Å; I139-V142 HydrophobicContact CB-CG2 3.95Å; I139-V142 HydrophobicContact CG2-CG2 4.21Å; I139-V142 PolarHBondContact O-N 3.21Å; Q140-V142 PolarHBondContact O-N 3.11Å; V142-S144 PolarHBondContact O-N 3.09Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 PolarHBondContact O-N 3.24Å; V142-Y146 HydrophobicContact CG1-CD2 4.41Å; V142-Y146 HydrophobicContact CG1-CE1 4.17Å; V142-Y146 HydrophobicContact CG1-CE2 3.8Å; V142-Y146 PolarHBondContact O-N 3.4Å; V142-Y146 VanDerWaalsContact O-N 3.12Å; V142-I168 HydrophobicContact CB-CD1 4.44Å; V142-I168 HydrophobicContact CG2-CD1 4.04Å; V142-I168 HydrophobicContact CG2-CG1 4.21Å; V142-A173 HydrophobicContact CG2-CB 4.05Å
143L97.6Very high96.8Very high1 Ų122.8 Ų22.81%0.00514%0.143CC..Hα-helixtrans-61.8-44.2174.9-59.8-179.5000111.7L107 T109 A138 I139 Q140 A141 L145 Y146 A147 V342 G345 L349L107-L143 HydrophobicContact CD2-CD1 4.11Å; T109-L143 HydrophobicContact CG2-CD1 3.62Å; A138-L143 HydrophobicContact CB-CD1 3.87Å; A138-L143 HydrophobicContact CB-CD2 3.87Å; A138-L143 HydrophobicContact CB-CG 3.97Å; I139-L143 PolarHBondContact O-N 3.27Å; Q140-L143 PolarHBondContact O-N 3.39Å; A141-L143 VanDerWaalsContact C-N 3.35Å; L143-L145 PolarHBondContact O-N 3.46Å; L143-Y146 HydrophobicContact CD2-CD2 4.47Å; L143-Y146 WeakPolarHBondContact O-CB 3.34Å; L143-Y146 PolarHBondContact O-N 2.98Å; L143-A147 PolarHBondContact O-N 3.21Å; L143-V342 WeakPolarHBondContact CB-O 3.12Å; L143-V342 HydrophobicContact CD1-CG1 4.33Å; L143-G345 VanDerWaalsContact O-CA 3.27Å; L143-G345 WeakPolarHBondContact O-CA 3.4Å; L143-L349 HydrophobicContact CD2-CB 4.31Å; L143-L349 HydrophobicContact CD2-CD2 3.63Å
144S97.6Very high96.9Very high0 Ų020.4 Ų20.40%013%0.128CC..Hα-helixtrans-59.5-34.9176.5-71.50000113.3Q140 A141 V142 S303 V342Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 3.14Å; A141-S144 PolarHBondContact O-N 2.85Å; V142-S144 PolarHBondContact O-N 3.09Å; S144-S303 WeakPolarHBondContact CB-OG 3.47Å; S144-S303 PolarHBondContact OG-OG 3.45Å; S144-V342 WeakPolarHBondContact OG-CG2 3.32Å; S144-V342 PolarHBondContact OG-N 3.11Å
145L97.3Very high96.9Very high0 Ų019.9 Ų19.90%012%0.124CC..Hα-helixtrans-66.2-44.2174-170.767.9000111.3A141 V142 L143 A147 S148 R150 V155 I168 V301A141-L145 PolarHBondContact O-N 3.3Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 PolarHBondContact O-N 3.24Å; L143-L145 PolarHBondContact O-N 3.46Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.09Å; L145-S148 WeakPolarHBondContact O-CB 3.47Å; L145-S148 PolarHBondContact O-N 3.13Å; L145-S148 PolarHBondContact O-OG 2.99Å; L145-R150 HydrophobicContact CD1-CB 3.7Å; L145-R150 HydrophobicContact CG-CB 3.89Å; L145-R150 WeakPolarHBondContact CG-O 3.38Å; L145-R150 PolarHBondContact O-N 2.98Å; L145-V155 HydrophobicContact CB-CG2 3.83Å; L145-V155 HydrophobicContact CD1-CG2 4.11Å; L145-V155 HydrophobicContact CG-CG2 4.5Å; L145-I168 HydrophobicContact CB-CD1 3.92Å; L145-I168 HydrophobicContact CD2-CB 3.66Å; L145-I168 HydrophobicContact CD2-CD1 3.75Å; L145-I168 HydrophobicContact CD2-CG1 4.33Å; L145-I168 HydrophobicContact CD2-CG2 3.57Å; L145-I168 HydrophobicContact CG-CD1 4.42Å; L145-V301 HydrophobicContact CD1-CB 4.46Å; L145-V301 HydrophobicContact CD1-CG2 3.73Å
146Y94.8Very high97Very high60 Ų6020 Ų2024%0.23512%0.124CC..Hα-helixtrans-61.2-39.5176.9-66.4-14.5000112.6V142 L143 S148 G149 R150 L349V142-Y146 HydrophobicContact CG1-CD2 4.41Å; V142-Y146 HydrophobicContact CG1-CE1 4.17Å; V142-Y146 HydrophobicContact CG1-CE2 3.8Å; V142-Y146 PolarHBondContact O-N 3.4Å; V142-Y146 VanDerWaalsContact O-N 3.12Å; L143-Y146 HydrophobicContact CD2-CD2 4.47Å; L143-Y146 WeakPolarHBondContact O-CB 3.34Å; L143-Y146 PolarHBondContact O-N 2.98Å; Y146-S148 PolarHBondContact O-N 2.89Å; Y146-S148 VanDerWaalsContact O-N 3.14Å; Y146-G149 PolarHBondContact O-N 3.05Å; Y146-R150 WeakPolarHBondContact CD1-O 3.28Å; Y146-L349 HydrophobicContact CD2-CD1 4.46Å; Y146-L349 HydrophobicContact CE2-CD1 4.19Å; Y146-L349 HydrophobicContact CE2-CD2 4.44Å
147A96Very high97Very high22 Ų2219.5 Ų19.518%0.18212%0.123CC..Hα-helixtrans-58-27.6173.900000112.9L143 L145 G149 S341 I344L143-A147 PolarHBondContact O-N 3.21Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.09Å; A147-G149 VanDerWaalsContact C-N 3.31Å; A147-S341 VanDerWaalsContact CB-O 3.22Å; A147-S341 WeakPolarHBondContact CB-O 3.4Å; A147-I344 HydrophobicContact CB-CB 4.08Å; A147-I344 HydrophobicContact CB-CG2 3.88Å
148S95Very high97Very high22 Ų2219.5 Ų19.515%0.15412%0.123CC..THydrogen-bonded Turntrans-85.71175.685.20000114.2L145 Y146 R150L145-S148 WeakPolarHBondContact O-CB 3.47Å; L145-S148 PolarHBondContact O-N 3.13Å; L145-S148 PolarHBondContact O-OG 2.99Å; Y146-S148 PolarHBondContact O-N 2.89Å; Y146-S148 VanDerWaalsContact O-N 3.14Å; S148-R150 PolarHBondContact O-NH1 3.27Å; S148-R150 WeakPolarHBondContact OG-CD 3.35Å; S148-R150 PolarHBondContact OG-NH1 2.83Å
149G94.3Very high97Very high73 Ų7320.1 Ų20.175%0.75313%0.13SC*.THydrogen-bonded Turntrans72.130.7-17700000113.8Y146 A147Y146-G149 PolarHBondContact O-N 3.05Å; A147-G149 VanDerWaalsContact C-N 3.31Å
150R95.5Very high97Very high55 Ų5520.9 Ų20.921%0.20814%0.135CC..  trans-123.4151.1-178-69173.1178.366.713.3111.2L145 Y146 S148 N299L145-R150 HydrophobicContact CD1-CB 3.7Å; L145-R150 HydrophobicContact CG-CB 3.89Å; L145-R150 WeakPolarHBondContact CG-O 3.38Å; L145-R150 PolarHBondContact O-N 2.98Å; Y146-R150 WeakPolarHBondContact CD1-O 3.28Å; S148-R150 PolarHBondContact O-NH1 3.27Å; S148-R150 WeakPolarHBondContact OG-CD 3.35Å; S148-R150 PolarHBondContact OG-NH1 2.83Å; R150-N299 WeakPolarHBondContact CD-OD1 3.38Å; R150-N299 PolarHBondContact NE-OD1 2.85Å
151T95Very high97Very high83 Ų8320.4 Ų20.451%0.50913%0.133SC..SBendtrans-114.4-16.8171.952.50000112.6E170 G171T151-E170 PolarHBondContact O-N 2.88Å; T151-G171 PolarHBondContact O-N 2.68Å
152T97.8Very high97Very high22 Ų2220.7 Ų20.714%0.13513%0.134CC..SBendtrans-127.7133.8176.4-61.60000109.8I168 Y169 E170 D295T152-I168 WeakPolarHBondContact CA-O 3.34Å; T152-Y169 HydrophobicContact CG2-CD2 3.64Å; T152-Y169 HydrophobicContact CG2-CE2 4.19Å; T152-E170 PolarHBondContact OG1-N 3.07Å; T152-D295 HydrophobicContact CG2-CB 3.8Å
153G98.3Very high97.1Very high0 Ų020 Ų200%013%0.13CC..EExtended strand (participates in β ladder)trans160.6179.9-179.200000111.6I168 L296 N299G153-I168 PolarHBondContact N-O 2.74Å; G153-I168 PolarHBondContact O-N 3.39Å; G153-L296 VanDerWaalsContact C-CD2 3.49Å; G153-L296 WeakPolarHBondContact O-CD2 3.33Å; G153-N299 VanDerWaalsContact CA-O 3.32Å; G153-N299 WeakPolarHBondContact CA-O 3.32Å
154I98.7Very high97.1Very high0 Ų020 Ų200%013%0.131CC..EExtended strand (participates in β ladder)trans-117.4131.6171.7-176.3168.8000109.1V166 P167 T281 S284 I285 L296 N299 I300 V301I154-V166 WeakPolarHBondContact CA-O 3.37Å; I154-P167 HydrophobicContact CB-CB 4.5Å; I154-P167 HydrophobicContact CD1-CB 4.35Å; I154-P167 HydrophobicContact CG1-CB 4.33Å; I154-T281 HydrophobicContact CD1-CG2 4.04Å; I154-T281 HydrophobicContact CG2-CG2 4.37Å; I154-S284 WeakPolarHBondContact CD1-OG 3.38Å; I154-I285 HydrophobicContact CD1-CD1 4.43Å; I154-I285 HydrophobicContact CD1-CG1 3.68Å; I154-I285 HydrophobicContact CG2-CD1 4.05Å; I154-I285 HydrophobicContact CG2-CG1 4.18Å; I154-L296 HydrophobicContact CB-CD2 4.47Å; I154-L296 HydrophobicContact CG2-CB 4.46Å; I154-N299 PolarHBondContact N-O 3.05Å; I154-I300 HydrophobicContact CG2-CB 4.16Å; I154-I300 HydrophobicContact CG2-CG1 3.71Å; I154-I300 HydrophobicContact CG2-CG2 4.23Å; I154-I300 CarbonylContact O-C 3.51Å; I154-I300 WeakPolarHBondContact O-CA 3.32Å; I154-V301 PolarHBondContact O-N 3.41Å
155V98.7Very high97.1Very high0 Ų020.1 Ų20.10%013%0.131CC..EExtended strand (participates in β ladder)trans-100.7123.4177.8177.40000108.9A141 L145 D157 T165 V166 I168 V301A141-V155 HydrophobicContact CB-CB 4.1Å; A141-V155 HydrophobicContact CB-CG1 4.06Å; A141-V155 WeakPolarHBondContact O-CG2 3.35Å; L145-V155 HydrophobicContact CB-CG2 3.83Å; L145-V155 HydrophobicContact CD1-CG2 4.11Å; L145-V155 HydrophobicContact CG-CG2 4.5Å; V155-D157 HydrophobicContact CG1-CB 4.09Å; V155-T165 WeakPolarHBondContact O-CA 3.49Å; V155-V166 PolarHBondContact N-O 2.73Å; V155-V166 PolarHBondContact O-N 3.06Å; V155-I168 HydrophobicContact CG2-CD1 3.95Å; V155-V301 WeakPolarHBondContact CA-O 3.37Å; V155-V301 HydrophobicContact CG2-CB 4.23Å
156L98.7Very high97.2Very high1 Ų120.1 Ų20.11%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-94.399.2161.4171.361.1000107.2H164 T165 I277 V301 L302 S303 M316L156-H164 WeakPolarHBondContact CA-O 3.37Å; L156-T165 HydrophobicContact CD1-CG2 3.74Å; L156-I277 HydrophobicContact CD1-CB 4.12Å; L156-I277 HydrophobicContact CD1-CG2 4.31Å; L156-I277 HydrophobicContact CD2-CB 4.06Å; L156-I277 HydrophobicContact CD2-CD1 4.02Å; L156-I277 HydrophobicContact CD2-CG1 4.37Å; L156-V301 PolarHBondContact N-O 3.49Å; L156-L302 HydrophobicContact CB-CD2 4.03Å; L156-L302 HydrophobicContact CD2-CD2 3.88Å; L156-L302 HydrophobicContact CG-CD2 4.31Å; L156-S303 PolarHBondContact O-N 2.9Å; L156-M316 HydrophobicContact CD2-CE 3.65Å; L156-M316 HydrophobicContact CD2-SD 4.02Å
157D98.1Very high97.3Very high11 Ų1117.2 Ų17.26%0.05912%0.12CC..EExtended strand (participates in β ladder)trans-98.2118.3175.4-174.653000109.5V155 S163 H164 S303 G304V155-D157 HydrophobicContact CG1-CB 4.09Å; D157-S163 CarbonylContact O-C 3.6Å; D157-S163 VanDerWaalsContact O-CA 3.23Å; D157-S163 WeakPolarHBondContact O-CA 3.24Å; D157-H164 PolarHBondContact N-O 3.31Å; D157-H164 PolarHBondContact O-N 3.17Å; D157-S303 WeakPolarHBondContact CA-O 3.38Å; D157-S303 VanDerWaalsContact OD1-C 3.27Å; D157-S303 VanDerWaalsContact OD1-CB 3.24Å; D157-S303 WeakPolarHBondContact OD1-CB 3.37Å; D157-S303 PolarHBondContact OD1-OG 3.21Å; D157-G304 PolarHBondContact OD1-N 3.48Å
158S98.3Very high97.5Very high1 Ų116.2 Ų16.21%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-127.2103.6179.2-169.90000110.2S163 S303 G304 G305 S306S158-S163 WeakPolarHBondContact CB-OG 3.29Å; S158-S163 PolarHBondContact OG-OG 2.74Å; S158-S303 PolarHBondContact N-O 3.09Å; S158-G304 CarbonylContact O-C 3.3Å; S158-G304 WeakPolarHBondContact O-CA 3.3Å; S158-G305 PolarHBondContact O-N 3Å; S158-S306 WeakPolarHBondContact O-CB 3.41Å; S158-S306 PolarHBondContact O-N 3.31Å; S158-S306 VanDerWaalsContact OG-CB 3.3Å; S158-S306 WeakPolarHBondContact OG-CB 3.37Å
159G97.5Very high97.6Very high20 Ų2018.7 Ų18.721%0.20612%0.118CC..  trans-91.1-150.6-175.700000113.6V162 A184 G185 S306G159-V162 PolarHBondContact N-O 2.83Å; G159-A184 WeakPolarHBondContact O-CB 3.39Å; G159-G185 PolarHBondContact O-N 3.47Å; G159-G185 VanDerWaalsContact O-N 3.12Å; G159-S306 PolarHBondContact O-OG 3.07Å
160D97.2Very high97.6Very high37 Ų3721 Ų2120%0.19811%0.109CC..SBendtrans-83.4-41.7169.9-178.161.6000111.7G18 A184 G185 R186G18-D160 WeakPolarHBondContact CA-OD2 3.41Å; D160-A184 CarbonylContact O-C 3.47Å; D160-A184 WeakPolarHBondContact O-CB 3.28Å; D160-G185 PolarHBondContact O-N 3.23Å; D160-G185 VanDerWaalsContact O-N 3.1Å; D160-R186 VanDerWaalsContact O-CB 3.24Å; D160-R186 WeakPolarHBondContact O-CB 3.46Å; D160-R186 PolarHBondContact O-N 3.41Å; D160-R186 PolarHBondContact OD1-N 2.85Å; D160-R186 IonicContact OD2-CZ 2.87Å; D160-R186 IonicContact OD2-NE 2.83Å; D160-R186 PolarHBondContact OD2-NE 2.9Å; D160-R186 VanDerWaalsContact OD2-NE 3.17Å; D160-R186 IonicContact OD2-NH2 3.22Å; D160-R186 PolarHBondContact OD2-NH2 2.95Å
161G96.3Very high97.5Very high2 Ų219 Ų192%0.02111%0.106CC..SBendtrans-100.1-20.6-173.100000115.4H76H76-G161 WeakPolarHBondContact CA-O 3.5Å; H76-G161 PolarHBondContact CD2-O 2.99Å
162V97.4Very high97.4Very high7 Ų722.8 Ų22.84%0.04211%0.112CC..  trans-159.9153.3-171.9590000111H76 G159 H164 R180 L181H76-V162 HydrophobicContact CB-CB 4.23Å; G159-V162 PolarHBondContact N-O 2.83Å; V162-H164 WeakPolarHBondContact CG1-CE1 3.36Å; V162-H164 WeakPolarHBondContact CG2-CE1 3.2Å; V162-R180 HydrophobicContact CG2-CG 3.92Å; V162-L181 WeakPolarHBondContact CG2-O 3.25Å
163S98.3Very high97.3Very high3 Ų322.6 Ų22.62%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-116.6137.8170-58.90000110.9D157 S158 L181 L183D157-S163 CarbonylContact O-C 3.6Å; D157-S163 VanDerWaalsContact O-CA 3.23Å; D157-S163 WeakPolarHBondContact O-CA 3.24Å; S158-S163 WeakPolarHBondContact CB-OG 3.29Å; S158-S163 PolarHBondContact OG-OG 2.74Å; S163-L181 PolarHBondContact N-O 2.89Å; S163-L181 PolarHBondContact O-N 3.44Å; S163-L183 WeakPolarHBondContact CB-O 3.35Å; S163-L183 PolarHBondContact OG-O 2.93Å
164H97.9Very high97.3Very high2 Ų224.2 Ų24.21%0.00912%0.121CC..EExtended strand (participates in β ladder)trans-130.3144178.1-59.6100.9000111.1P112 L156 D157 V162 V166 L179P112-H164 HydrophobicContact CG-CB 4.04Å; L156-H164 WeakPolarHBondContact CA-O 3.37Å; D157-H164 PolarHBondContact N-O 3.31Å; D157-H164 PolarHBondContact O-N 3.17Å; V162-H164 WeakPolarHBondContact CG1-CE1 3.36Å; V162-H164 WeakPolarHBondContact CG2-CE1 3.2Å; H164-V166 HydrophobicContact CB-CG2 4.07Å; H164-L179 WeakPolarHBondContact CA-O 3.42Å
165T98.5Very high97.1Very high1 Ų128.2 Ų28.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-113118.5164.159.60000108.8V155 L156 I178 L179 T280 T281 S284V155-T165 WeakPolarHBondContact O-CA 3.49Å; L156-T165 HydrophobicContact CD1-CG2 3.74Å; T165-I178 WeakPolarHBondContact O-CA 3.39Å; T165-L179 PolarHBondContact N-O 3.16Å; T165-L179 PolarHBondContact O-N 2.78Å; T165-L179 WeakPolarHBondContact OG1-CB 3.06Å; T165-T280 HydrophobicContact CG2-CG2 4Å; T165-T280 PolarHBondContact OG1-O 3.26Å; T165-T281 WeakPolarHBondContact CG2-OG1 3.48Å; T165-S284 WeakPolarHBondContact OG1-CB 3.43Å
166V98.4Very high97Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-126104-172.3-1730000108.8P112 A141 I154 V155 H164 I168 A173 I178P112-V166 HydrophobicContact CB-CG2 4.06Å; P112-V166 HydrophobicContact CG-CG2 3.45Å; P112-V166 VanDerWaalsContact CG-CG2 3.45Å; A141-V166 HydrophobicContact CB-CB 3.57Å; A141-V166 HydrophobicContact CB-CG1 3.95Å; A141-V166 HydrophobicContact CB-CG2 3.47Å; A141-V166 VanDerWaalsContact CB-CG2 3.47Å; I154-V166 WeakPolarHBondContact CA-O 3.37Å; V155-V166 PolarHBondContact N-O 2.73Å; V155-V166 PolarHBondContact O-N 3.06Å; H164-V166 HydrophobicContact CB-CG2 4.07Å; V166-I168 HydrophobicContact CG1-CD1 4.32Å; V166-I168 HydrophobicContact CG1-CG1 3.99Å; V166-A173 HydrophobicContact CG1-CB 3.91Å; V166-I178 HydrophobicContact CG1-CD1 4.12Å; V166-I178 HydrophobicContact CG1-CG1 4.1Å; V166-I178 HydrophobicContact CG2-CG2 4.27Å
167P98.6Very high97Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-78133172.527.9-23.7000109.2I154 L174 A177 S284 C288 L296I154-P167 HydrophobicContact CB-CB 4.5Å; I154-P167 HydrophobicContact CD1-CB 4.35Å; I154-P167 HydrophobicContact CG1-CB 4.33Å; P167-L174 HydrophobicContact CB-CD1 4.29Å; P167-L174 HydrophobicContact CG-CB 4.2Å; P167-L174 PolarHBondContact O-N 3.13Å; P167-A177 HydrophobicContact CG-CB 3.52Å; P167-S284 WeakPolarHBondContact CD-OG 3.41Å; P167-S284 WeakPolarHBondContact CG-OG 3.39Å; P167-C288 VanDerWaalsContact CB-SG 3.55Å; P167-C288 VanDerWaalsContact CG-SG 3.59Å; P167-L296 HydrophobicContact CB-CD1 4.05Å; P167-L296 HydrophobicContact CB-CD2 4.25Å
168I98.3Very high97Very high0 Ų033.9 Ų33.90%017%0.174CC..EExtended strand (participates in β ladder)trans-130.3132.3-174.6-59.9154.9000107.5V142 L145 T152 G153 V155 V166 Y172 A173V142-I168 HydrophobicContact CB-CD1 4.44Å; V142-I168 HydrophobicContact CG2-CD1 4.04Å; V142-I168 HydrophobicContact CG2-CG1 4.21Å; L145-I168 HydrophobicContact CB-CD1 3.92Å; L145-I168 HydrophobicContact CD2-CB 3.66Å; L145-I168 HydrophobicContact CD2-CD1 3.75Å; L145-I168 HydrophobicContact CD2-CG1 4.33Å; L145-I168 HydrophobicContact CD2-CG2 3.57Å; L145-I168 HydrophobicContact CG-CD1 4.42Å; T152-I168 WeakPolarHBondContact CA-O 3.34Å; G153-I168 PolarHBondContact N-O 2.74Å; G153-I168 PolarHBondContact O-N 3.39Å; V155-I168 HydrophobicContact CG2-CD1 3.95Å; V166-I168 HydrophobicContact CG1-CD1 4.32Å; V166-I168 HydrophobicContact CG1-CG1 3.99Å; I168-Y172 CarbonylContact C-O 3.54Å; I168-Y172 VanDerWaalsContact CA-O 3.29Å; I168-Y172 WeakPolarHBondContact CA-O 3.41Å; I168-A173 HydrophobicContact CG1-CB 4.36Å
169Y97.5Very high97Very high75 Ų7535.5 Ų35.529%0.29418%0.182SC..EExtended strand (participates in β ladder)trans-130.5123.3179.2-175.9-94.2000109.3T152 G171 Y172 I292T152-Y169 HydrophobicContact CG2-CD2 3.64Å; T152-Y169 HydrophobicContact CG2-CE2 4.19Å; Y169-G171 PolarHBondContact O-N 3.12Å; Y169-G171 VanDerWaalsContact O-N 3.12Å; Y169-Y172 PolarHBondContact N-O 3.1Å; Y169-Y172 PolarHBondContact O-N 3.12Å; Y169-I292 HydrophobicContact CD2-CB 3.99Å; Y169-I292 HydrophobicContact CD2-CD1 4.41Å; Y169-I292 HydrophobicContact CD2-CG2 3.59Å; Y169-I292 HydrophobicContact CE2-CB 4.2Å; Y169-I292 HydrophobicContact CE2-CG2 3.47Å; Y169-I292 VanDerWaalsContact CE2-CG2 3.47Å; Y169-I292 HydrophobicContact CG-CG2 4.32Å
170E95Very high96.9Very high120 Ų12039 Ų3956%0.56119%0.189SC*.THydrogen-bonded Turntrans50.936.6-179-66179.3-175.900113.7T151 T152 Y172T151-E170 PolarHBondContact O-N 2.88Å; T152-E170 PolarHBondContact OG1-N 3.07Å; E170-Y172 WeakPolarHBondContact O-CD2 3.3Å
171G92.8Very high96.9Very high15 Ų1537.9 Ų37.916%0.15518%0.183CC..THydrogen-bonded Turntrans88.3-7.6-179.700000115.2T151 Y169T151-G171 PolarHBondContact O-N 2.68Å; Y169-G171 PolarHBondContact O-N 3.12Å; Y169-G171 VanDerWaalsContact O-N 3.12Å
172Y93.8Very high96.8Very high162 Ų16241 Ų4164%0.63520%0.199SC*.EExtended strand (participates in β ladder)trans-100.1124.2179.6-60.8-85.4000111.3I168 Y169 E170I168-Y172 CarbonylContact C-O 3.54Å; I168-Y172 VanDerWaalsContact CA-O 3.29Å; I168-Y172 WeakPolarHBondContact CA-O 3.41Å; Y169-Y172 PolarHBondContact N-O 3.1Å; Y169-Y172 PolarHBondContact O-N 3.12Å; E170-Y172 WeakPolarHBondContact O-CD2 3.3Å
173A96.4Very high96.8Very high18 Ų1840.7 Ų40.715%0.14920%0.197CC..EExtended strand (participates in β ladder)trans-66.5140.6168.900000109.9I139 V142 V166 I168 P175 I178I139-A173 HydrophobicContact CD1-CB 4.34Å; V142-A173 HydrophobicContact CG2-CB 4.05Å; V166-A173 HydrophobicContact CG1-CB 3.91Å; I168-A173 HydrophobicContact CG1-CB 4.36Å; A173-P175 WeakPolarHBondContact O-CD 3.38Å; A173-I178 HydrophobicContact CB-CD1 4.46Å
174L96.9Very high96.8Very high33 Ų3340.5 Ų40.517%0.17320%0.196CC..  trans-96.895.9-179.8-57175.5000110.1P167 H176 A177 I178 I292P167-L174 HydrophobicContact CB-CD1 4.29Å; P167-L174 HydrophobicContact CG-CB 4.2Å; P167-L174 PolarHBondContact O-N 3.13Å; L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 2.83Å; L174-A177 HydrophobicContact CB-CB 4.46Å; L174-A177 PolarHBondContact O-N 2.92Å; L174-I178 PolarHBondContact O-N 3.27Å; L174-I292 HydrophobicContact CD1-CD1 3.45Å; L174-I292 VanDerWaalsContact CD1-CD1 3.45Å
175P95.7Very high96.8Very high84 Ų8440.5 Ų40.555%0.54520%0.196SC..G310 helixtrans-65.3-32.7-162.8-23.437.1000113.9A173 A177 I178A173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-A177 PolarHBondContact O-N 2.94Å; P175-I178 PolarHBondContact O-N 3.5Å
176H96.5Very high96.8Very high111 Ų11142.3 Ų42.351%0.51420%0.203SC..G310 helixtrans-66.2-19.9178.965-87000113.4L174L174-H176 VanDerWaalsContact C-N 3.31Å; L174-H176 PolarHBondContact O-N 2.83Å
177A98Very high96.7Very high0 Ų044.1 Ų44.10%021%0.212CC..G310 helixtrans-1102.8-177.500000113.3P167 L174 P175 S284 K287 C288P167-A177 HydrophobicContact CG-CB 3.52Å; L174-A177 HydrophobicContact CB-CB 4.46Å; L174-A177 PolarHBondContact O-N 2.92Å; P175-A177 PolarHBondContact O-N 2.94Å; A177-S284 WeakPolarHBondContact O-CB 3.24Å; A177-S284 PolarHBondContact O-OG 3.16Å; A177-K287 HydrophobicContact CB-CB 3.69Å; A177-C288 VanDerWaalsContact CB-SG 3.51Å
178I98.3Very high96.7Very high21 Ų2144.1 Ų44.111%0.10821%0.212CC..  trans-70.3129.6171.7-62177.2000109P112 M113 T165 V166 A173 L174 P175P112-I178 HydrophobicContact CB-CD1 4.26Å; P112-I178 HydrophobicContact CB-CG2 3.87Å; M113-I178 HydrophobicContact CG-CG2 4.27Å; T165-I178 WeakPolarHBondContact O-CA 3.39Å; V166-I178 HydrophobicContact CG1-CD1 4.12Å; V166-I178 HydrophobicContact CG1-CG1 4.1Å; V166-I178 HydrophobicContact CG2-CG2 4.27Å; A173-I178 HydrophobicContact CB-CD1 4.46Å; L174-I178 PolarHBondContact O-N 3.27Å; P175-I178 PolarHBondContact O-N 3.5Å
179L98Very high96.7Very high34 Ų3444.1 Ų44.118%0.17821%0.212CC..EExtended strand (participates in β ladder)trans-119.2142.4170.9-56.5176000110.1H164 T165 T280 K287H164-L179 WeakPolarHBondContact CA-O 3.42Å; T165-L179 PolarHBondContact N-O 3.16Å; T165-L179 PolarHBondContact O-N 2.78Å; T165-L179 WeakPolarHBondContact OG1-CB 3.06Å; L179-T280 HydrophobicContact CB-CG2 3.62Å; L179-T280 HydrophobicContact CD1-CG2 3.96Å; L179-T280 WeakPolarHBondContact CD1-O 3.3Å; L179-T280 HydrophobicContact CG-CG2 4.44Å; L179-K287 HydrophobicContact CD2-CD 4.19Å; L179-K287 VanDerWaalsContact CD2-NZ 3.3Å
180R95.7Very high96.7Very high94 Ų9443.4 Ų43.436%0.35521%0.214SC..EExtended strand (participates in β ladder)trans-119.9139.3-179.2174177.4167.9135-0.4109.1H76 V162 D182H76-R180 VanDerWaalsContact O-CZ 3.27Å; H76-R180 PolarHBondContact O-NH1 3.48Å; H76-R180 VanDerWaalsContact O-NH1 3.16Å; H76-R180 PolarHBondContact O-NH2 3.45Å; V162-R180 HydrophobicContact CG2-CG 3.92Å; R180-D182 IonicContact CZ-OD1 2.75Å; R180-D182 IonicContact NE-OD1 3.49Å; R180-D182 PolarHBondContact NE-OD1 3.37Å; R180-D182 IonicContact NE-OD2 2.85Å; R180-D182 IonicContact NH2-OD1 3.88Å; R180-D182 PolarHBondContact NH2-OD1 3Å; R180-D182 IonicContact NH2-OD2 2.73Å
181L96Very high96.9Very high13 Ų1338.4 Ų38.47%0.06819%0.19CC..EExtended strand (participates in β ladder)trans-132.2114.5175.6-176.872.2000108.2V162 S163 L183 C274 I277V162-L181 WeakPolarHBondContact CG2-O 3.25Å; S163-L181 PolarHBondContact N-O 2.89Å; S163-L181 PolarHBondContact O-N 3.44Å; L181-L183 HydrophobicContact CD1-CB 4.42Å; L181-L183 HydrophobicContact CD2-CB 3.82Å; L181-L183 HydrophobicContact CD2-CD2 4.12Å; L181-L183 HydrophobicContact CD2-CG 4.38Å; L181-L183 HydrophobicContact CG-CB 3.73Å; L181-L183 PolarHBondContact O-N 3.17Å; L181-C274 HydrophobicContact CD1-CB 3.99Å; L181-C274 VanDerWaalsContact CD1-SG 3.52Å; L181-I277 HydrophobicContact CD2-CG2 4.2Å
182D95.8Very high97.1Very high68 Ų6837.7 Ų37.736%0.36418%0.182SC..SBendtrans-77.458.2173.7-66.4-21.3000109.8R180 M272R180-D182 IonicContact CZ-OD1 2.75Å; R180-D182 IonicContact NE-OD1 3.49Å; R180-D182 PolarHBondContact NE-OD1 3.37Å; R180-D182 IonicContact NE-OD2 2.85Å; R180-D182 IonicContact NH2-OD1 3.88Å; R180-D182 PolarHBondContact NH2-OD1 3Å; R180-D182 IonicContact NH2-OD2 2.73Å; D182-M272 WeakPolarHBondContact O-CE 3.41Å
183L97.6Very high97.3Very high0 Ų032 Ų320%016%0.162CC..  trans-143118175.5171.957.2000108.2S163 L181 D187 A263 L264 P267 L270 M272S163-L183 WeakPolarHBondContact CB-O 3.35Å; S163-L183 PolarHBondContact OG-O 2.93Å; L181-L183 HydrophobicContact CD1-CB 4.42Å; L181-L183 HydrophobicContact CD2-CB 3.82Å; L181-L183 HydrophobicContact CD2-CD2 4.12Å; L181-L183 HydrophobicContact CD2-CG 4.38Å; L181-L183 HydrophobicContact CG-CB 3.73Å; L181-L183 PolarHBondContact O-N 3.17Å; L183-D187 WeakPolarHBondContact CA-OD2 3.16Å; L183-D187 HydrophobicContact CD1-CB 3.69Å; L183-A263 WeakPolarHBondContact CD2-O 3.01Å; L183-L264 HydrophobicContact CG-CD2 4.26Å; L183-P267 HydrophobicContact CD2-CB 3.93Å; L183-P267 HydrophobicContact CD2-CG 3.84Å; L183-L270 HydrophobicContact CD1-CD1 3.22Å; L183-L270 HydrophobicContact CD2-CD1 4.48Å; L183-L270 HydrophobicContact CG-CD1 4.47Å; L183-M272 HydrophobicContact CB-CE 4.08Å; L183-M272 HydrophobicContact CB-SD 4.17Å; L183-M272 HydrophobicContact CD1-SD 4.07Å; L183-M272 HydrophobicContact CD2-SD 4.26Å; L183-M272 HydrophobicContact CG-SD 4.39Å
184A97.9Very high97.3Very high0 Ų037.1 Ų37.10%018%0.181CC..SBendtrans-159.3-157.2-178.600000112.5G159 D160 R186 D187 L188G159-A184 WeakPolarHBondContact O-CB 3.39Å; D160-A184 CarbonylContact O-C 3.47Å; D160-A184 WeakPolarHBondContact O-CB 3.28Å; A184-R186 PolarHBondContact O-N 2.92Å; A184-R186 VanDerWaalsContact O-N 3.16Å; A184-D187 PolarHBondContact N-OD2 3.26Å; A184-D187 PolarHBondContact O-N 2.69Å; A184-L188 WeakPolarHBondContact O-CG 3.48Å; A184-L188 PolarHBondContact O-N 3.07Å; A184-L188 VanDerWaalsContact O-N 3.13Å
185G98Very high97.3Very high1 Ų135.6 Ų35.61%0.0117%0.173CC..Hα-helixtrans-57.8-31.5-17100000114.9G159 D160 T189 K216 S306G159-G185 PolarHBondContact O-N 3.47Å; G159-G185 VanDerWaalsContact O-N 3.12Å; D160-G185 PolarHBondContact O-N 3.23Å; D160-G185 VanDerWaalsContact O-N 3.1Å; G185-T189 PolarHBondContact O-N 2.75Å; G185-T189 VanDerWaalsContact O-N 3.1Å; G185-T189 PolarHBondContact O-OG1 2.98Å; G185-K216 PolarHBondContact O-NZ 3.37Å; G185-S306 VanDerWaalsContact CA-OG 3.25Å; G185-S306 WeakPolarHBondContact CA-OG 3.39Å; G185-S306 PolarHBondContact N-OG 3.45Å; G185-S306 VanDerWaalsContact N-OG 3.12Å
186R97Very high97.4Very high40 Ų4031.6 Ų31.615%0.15115%0.147CC..Hα-helixtrans-66.9-51.2179.7-169.9172.7-62.8168.81.6110.6S17 D160 A184 L188 T189 D190 R209S17-R186 PolarHBondContact O-NH2 3.28Å; D160-R186 VanDerWaalsContact O-CB 3.24Å; D160-R186 WeakPolarHBondContact O-CB 3.46Å; D160-R186 PolarHBondContact O-N 3.41Å; D160-R186 PolarHBondContact OD1-N 2.85Å; D160-R186 IonicContact OD2-CZ 2.87Å; D160-R186 IonicContact OD2-NE 2.83Å; D160-R186 PolarHBondContact OD2-NE 2.9Å; D160-R186 VanDerWaalsContact OD2-NE 3.17Å; D160-R186 IonicContact OD2-NH2 3.22Å; D160-R186 PolarHBondContact OD2-NH2 2.95Å; A184-R186 PolarHBondContact O-N 2.92Å; A184-R186 VanDerWaalsContact O-N 3.16Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 2.91Å; R186-T189 WeakPolarHBondContact O-CA 3.45Å; R186-T189 VanDerWaalsContact O-CB 3.27Å; R186-T189 WeakPolarHBondContact O-CB 3.4Å; R186-T189 PolarHBondContact O-N 3.1Å; R186-D190 PolarHBondContact O-N 3.12Å; R186-D190 VanDerWaalsContact O-N 3.1Å; R186-R209 PolarHBondContact O-NH2 2.92Å; R186-R209 VanDerWaalsContact O-NH2 3.07Å
187D98Very high97.4Very high38 Ų3829.2 Ų29.220%0.20314%0.14CC..Hα-helixtrans-61.8-39.7178.7-45.3-74.4000111.4L183 A184 T189 D190 Y191 L270L183-D187 WeakPolarHBondContact CA-OD2 3.16Å; L183-D187 HydrophobicContact CD1-CB 3.69Å; A184-D187 PolarHBondContact N-OD2 3.26Å; A184-D187 PolarHBondContact O-N 2.69Å; D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3.41Å; D187-D190 PolarHBondContact O-N 3.01Å; D187-Y191 WeakPolarHBondContact O-CB 3.48Å; D187-Y191 PolarHBondContact O-N 2.9Å; D187-L270 HydrophobicContact CB-CD1 4.21Å
188L98.5Very high97.2Very high0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-62.9-34.2174.9-65.6-175.4000112.6A184 R186 L192 K216 C260 A263 L264 F309A184-L188 WeakPolarHBondContact O-CG 3.48Å; A184-L188 PolarHBondContact O-N 3.07Å; A184-L188 VanDerWaalsContact O-N 3.13Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 2.91Å; L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 PolarHBondContact O-N 3.23Å; L188-K216 HydrophobicContact CB-CD 3.95Å; L188-C260 WeakPolarHBondContact CD2-O 3.48Å; L188-C260 PolarHBondContact O-SG 3.16Å; L188-A263 HydrophobicContact CD2-CB 3.82Å; L188-L264 HydrophobicContact CD1-CD1 3.92Å; L188-L264 HydrophobicContact CD1-CD2 4.13Å; L188-L264 HydrophobicContact CD1-CG 3.89Å; L188-L264 HydrophobicContact CD2-CG 4.31Å; L188-F309 HydrophobicContact CD1-CE2 3.61Å; L188-F309 HydrophobicContact CD1-CZ 3.91Å
189T98.1Very high96.8Very high0 Ų038.5 Ų38.50%018%0.179CC..Hα-helixtrans-68-44.9176.2-51.90000110.4G185 R186 D187 Y191 L192 M193 R209 V212 R213 K216G185-T189 PolarHBondContact O-N 2.75Å; G185-T189 VanDerWaalsContact O-N 3.1Å; G185-T189 PolarHBondContact O-OG1 2.98Å; R186-T189 WeakPolarHBondContact O-CA 3.45Å; R186-T189 VanDerWaalsContact O-CB 3.27Å; R186-T189 WeakPolarHBondContact O-CB 3.4Å; R186-T189 PolarHBondContact O-N 3.1Å; D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3.41Å; T189-Y191 VanDerWaalsContact C-N 3.32Å; T189-Y191 PolarHBondContact O-N 2.83Å; T189-L192 PolarHBondContact O-N 2.79Å; T189-M193 WeakPolarHBondContact O-CB 3.35Å; T189-M193 PolarHBondContact O-N 3.14Å; T189-R209 HydrophobicContact CG2-CG 4.14Å; T189-V212 HydrophobicContact CG2-CB 4.3Å; T189-V212 HydrophobicContact CG2-CG1 4.12Å; T189-V212 WeakPolarHBondContact O-CG1 3.26Å; T189-R213 HydrophobicContact CG2-CB 3.85Å; T189-K216 WeakPolarHBondContact OG1-CE 3.35Å; T189-K216 PolarHBondContact OG1-NZ 3.38Å; T189-K216 VanDerWaalsContact OG1-NZ 3.09Å
190D97.2Very high96.6Very high59 Ų5939.9 Ų39.932%0.31620%0.201SC..Hα-helixtrans-67-36.1178.1-63.5-41.6000111.4R186 D187 M193 K194 R209R186-D190 PolarHBondContact O-N 3.12Å; R186-D190 VanDerWaalsContact O-N 3.1Å; D187-D190 PolarHBondContact O-N 3.01Å; D190-M193 WeakPolarHBondContact O-CB 3.41Å; D190-M193 PolarHBondContact O-N 2.86Å; D190-K194 PolarHBondContact O-N 2.82Å; D190-K194 VanDerWaalsContact O-N 3.08Å; D190-R209 VanDerWaalsContact CG-NH2 3.25Å; D190-R209 IonicContact OD1-CZ 2.72Å; D190-R209 VanDerWaalsContact OD1-CZ 3.32Å; D190-R209 IonicContact OD1-NE 3.66Å; D190-R209 PolarHBondContact OD1-NE 2.93Å; D190-R209 IonicContact OD1-NH2 3.96Å; D190-R209 PolarHBondContact OD1-NH2 3Å; D190-R209 IonicContact OD2-CZ 3.46Å; D190-R209 IonicContact OD2-NE 3.29Å; D190-R209 IonicContact OD2-NH2 3.93Å; D190-R209 PolarHBondContact OD2-NH2 3.16Å
191Y98Very high96.5Very high16 Ų1638.2 Ų38.26%0.06320%0.196CC..Hα-helixtrans-64.1-46.6172.3-174.7-136.2000112.5D187 T189 M193 K194 I195 R259 C260 A263 F269 L270D187-Y191 WeakPolarHBondContact O-CB 3.48Å; D187-Y191 PolarHBondContact O-N 2.9Å; T189-Y191 VanDerWaalsContact C-N 3.32Å; T189-Y191 PolarHBondContact O-N 2.83Å; Y191-M193 PolarHBondContact O-N 2.76Å; Y191-K194 WeakPolarHBondContact O-CB 3.43Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; Y191-I195 HydrophobicContact CD2-CG2 4.07Å; Y191-I195 HydrophobicContact CE1-CD1 4.26Å; Y191-I195 HydrophobicContact CE2-CG2 3.5Å; Y191-I195 VanDerWaalsContact CE2-CG2 3.5Å; Y191-I195 PolarHBondContact O-N 3.12Å; Y191-R259 WeakPolarHBondContact CE1-O 3.47Å; Y191-C260 HydrophobicContact CD1-CB 4.47Å; Y191-A263 HydrophobicContact CD1-CB 4.13Å; Y191-A263 HydrophobicContact CE1-CB 4.27Å; Y191-F269 HydrophobicContact CE1-CB 4.38Å; Y191-F269 HydrophobicContact CE1-CD2 4.46Å; Y191-L270 HydrophobicContact CD2-CD2 3.91Å; Y191-L270 HydrophobicContact CG-CD2 3.77Å; Y191-L270 HydrophobicContact CG-CG 4.37Å
192L98.3Very high96.4Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-60.1-40.7177.5-176.559.9000110.7L188 T189 K194 I195 L196 V212 I215 K216 D256 C260L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 PolarHBondContact O-N 3.23Å; T189-L192 PolarHBondContact O-N 2.79Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.03Å; L192-I195 HydrophobicContact CD1-CD1 3.99Å; L192-I195 HydrophobicContact CD1-CG1 4.06Å; L192-I195 WeakPolarHBondContact O-CG1 3.37Å; L192-I195 PolarHBondContact O-N 2.9Å; L192-L196 HydrophobicContact CD1-CD1 4.15Å; L192-L196 HydrophobicContact CD1-CG 4.02Å; L192-L196 HydrophobicContact CD2-CD1 4.44Å; L192-L196 HydrophobicContact CG-CD1 3.83Å; L192-L196 HydrophobicContact CG-CG 4.18Å; L192-L196 VanDerWaalsContact O-CB 3.31Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.3Å; L192-V212 HydrophobicContact CB-CG1 3.78Å; L192-V212 HydrophobicContact CD2-CG1 3.84Å; L192-V212 HydrophobicContact CG-CG1 3.76Å; L192-I215 HydrophobicContact CD2-CB 4.43Å; L192-I215 HydrophobicContact CD2-CG2 4.06Å; L192-K216 HydrophobicContact CD2-CB 3.6Å; L192-K216 HydrophobicContact CD2-CG 4.36Å; L192-D256 HydrophobicContact CD1-CB 3.82Å; L192-C260 HydrophobicContact CB-CB 4.26Å; L192-C260 HydrophobicContact CD1-CB 4.01Å
193M97.6Very high96.4Very high43 Ų4338.5 Ų38.521%0.21220%0.202CC..Hα-helixtrans-58.7-43.4176.1-168169.27100111.6T189 D190 Y191 T197 F203 R209 V212T189-M193 WeakPolarHBondContact O-CB 3.35Å; T189-M193 PolarHBondContact O-N 3.14Å; D190-M193 WeakPolarHBondContact O-CB 3.41Å; D190-M193 PolarHBondContact O-N 2.86Å; Y191-M193 PolarHBondContact O-N 2.76Å; M193-T197 PolarHBondContact O-N 3.35Å; M193-T197 VanDerWaalsContact O-N 3.09Å; M193-T197 PolarHBondContact O-OG1 3.01Å; M193-F203 HydrophobicContact CG-CB 3.92Å; M193-F203 HydrophobicContact SD-CB 4.22Å; M193-F203 VanDerWaalsContact SD-O 3.39Å; M193-R209 HydrophobicContact SD-CB 4.39Å; M193-R209 HydrophobicContact SD-CG 4.41Å; M193-V212 HydrophobicContact CB-CG1 4.06Å; M193-V212 HydrophobicContact CB-CG2 4.22Å; M193-V212 HydrophobicContact CG-CG2 4.14Å
194K96.6Very high96.1Very high125 Ų12543.8 Ų43.854%0.54324%0.235SC..Hα-helixtrans-62.7-51.3176.4-178.8-176.7173.5-175.20112D190 Y191 L192 L196 T197 E198D190-K194 PolarHBondContact O-N 2.82Å; D190-K194 VanDerWaalsContact O-N 3.08Å; Y191-K194 WeakPolarHBondContact O-CB 3.43Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 3.03Å; K194-L196 PolarHBondContact O-N 2.96Å; K194-T197 WeakPolarHBondContact O-CB 3.37Å; K194-T197 PolarHBondContact O-N 3.4Å; K194-T197 VanDerWaalsContact O-N 3.13Å; K194-E198 PolarHBondContact O-N 2.91Å; K194-E198 VanDerWaalsContact O-N 3.12Å
195I96.6Very high95.8Very high1 Ų146.9 Ų46.91%0.00525%0.254CS..Hα-helixtrans-72.3-28-176.965.3-175.9000112.9Y191 L192 T197 E198 R199 D256 R259 C260Y191-I195 HydrophobicContact CD2-CG2 4.07Å; Y191-I195 HydrophobicContact CE1-CD1 4.26Å; Y191-I195 HydrophobicContact CE2-CG2 3.5Å; Y191-I195 VanDerWaalsContact CE2-CG2 3.5Å; Y191-I195 PolarHBondContact O-N 3.12Å; L192-I195 HydrophobicContact CD1-CD1 3.99Å; L192-I195 HydrophobicContact CD1-CG1 4.06Å; L192-I195 WeakPolarHBondContact O-CG1 3.37Å; L192-I195 PolarHBondContact O-N 2.9Å; I195-T197 VanDerWaalsContact C-N 3.32Å; I195-E198 WeakPolarHBondContact O-CB 3.13Å; I195-E198 PolarHBondContact O-N 2.8Å; I195-R199 PolarHBondContact O-N 3.17Å; I195-D256 HydrophobicContact CD1-CB 3.78Å; I195-D256 HydrophobicContact CG1-CB 4.06Å; I195-R259 HydrophobicContact CD1-CB 4.3Å; I195-C260 HydrophobicContact CD1-CB 4.22Å
196L97.5Very high95.3Very high0 Ų050.4 Ų50.40%028%0.275CS..Hα-helixtrans-65.6-36.8168.6-73.8174.3000111.7L192 K194 E198 R199 G200 Y201 F203 V212 I215 V253 D256L192-L196 HydrophobicContact CD1-CD1 4.15Å; L192-L196 HydrophobicContact CD1-CG 4.02Å; L192-L196 HydrophobicContact CD2-CD1 4.44Å; L192-L196 HydrophobicContact CG-CD1 3.83Å; L192-L196 HydrophobicContact CG-CG 4.18Å; L192-L196 VanDerWaalsContact O-CB 3.31Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 VanDerWaalsContact O-CG 3.22Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.3Å; K194-L196 PolarHBondContact O-N 2.96Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-E198 PolarHBondContact O-N 3.45Å; L196-R199 WeakPolarHBondContact O-CB 3.43Å; L196-R199 PolarHBondContact O-N 2.87Å; L196-R199 VanDerWaalsContact O-N 3.1Å; L196-G200 PolarHBondContact O-N 3.49Å; L196-Y201 CarbonylContact C-O 3.52Å; L196-Y201 HydrophobicContact CD2-CD2 4.47Å; L196-Y201 PolarHBondContact O-N 2.8Å; L196-F203 HydrophobicContact CB-CD2 4.38Å; L196-F203 HydrophobicContact CB-CE2 4.15Å; L196-F203 HydrophobicContact CD1-CD2 4.34Å; L196-F203 HydrophobicContact CD1-CE2 3.82Å; L196-V212 HydrophobicContact CD1-CG1 4.27Å; L196-V212 HydrophobicContact CD1-CG2 4.39Å; L196-I215 HydrophobicContact CD1-CD1 4.25Å; L196-V253 HydrophobicContact CD2-CG1 4.22Å; L196-V253 HydrophobicContact CD2-CG2 4.49Å; L196-D256 HydrophobicContact CD2-CB 4.5Å
197T96.4Very high94.9Very high61 Ų6151 Ų5137%0.37429%0.288SS..Hα-helixtrans-64.5-38174.6-580000111.4M193 K194 I195 R199 G200 Y201M193-T197 PolarHBondContact O-N 3.35Å; M193-T197 VanDerWaalsContact O-N 3.09Å; M193-T197 PolarHBondContact O-OG1 3.01Å; K194-T197 WeakPolarHBondContact O-CB 3.37Å; K194-T197 PolarHBondContact O-N 3.4Å; K194-T197 VanDerWaalsContact O-N 3.13Å; I195-T197 VanDerWaalsContact C-N 3.32Å; T197-R199 PolarHBondContact O-N 3.49Å; T197-G200 PolarHBondContact O-N 3.46Å; T197-Y201 VanDerWaalsContact CA-O 3.27Å; T197-Y201 WeakPolarHBondContact CA-O 3.45Å; T197-Y201 PolarHBondContact N-O 2.79Å
198E93.7Very high94.7Very high116 Ų11652 Ų5254%0.54229%0.292SS..Hα-helixtrans-59.9-26.5173.7-65168-172.900112.6K194 I195 L196 G200 R259K194-E198 PolarHBondContact O-N 2.91Å; K194-E198 VanDerWaalsContact O-N 3.12Å; I195-E198 WeakPolarHBondContact O-CB 3.13Å; I195-E198 PolarHBondContact O-N 2.8Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-E198 PolarHBondContact O-N 3.45Å; E198-G200 VanDerWaalsContact C-N 3.35Å; E198-R259 IonicContact OE2-NH2 3.1Å
199R89.8Confident94.5Very high99 Ų9953.6 Ų53.637%0.37430%0.298SS..THydrogen-bonded Turntrans-85.8-2.8174.1-67.6-178.362.687.6-4.9114.2I195 L196 T197 Y201 E240 D256I195-R199 PolarHBondContact O-N 3.17Å; L196-R199 WeakPolarHBondContact O-CB 3.43Å; L196-R199 PolarHBondContact O-N 2.87Å; L196-R199 VanDerWaalsContact O-N 3.1Å; T197-R199 PolarHBondContact O-N 3.49Å; R199-Y201 HydrophobicContact CB-CD2 4.27Å; R199-E240 IonicContact NH2-OE1 3.05Å; R199-D256 VanDerWaalsContact CD-CG 3.49Å; R199-D256 WeakPolarHBondContact CD-OD1 3.48Å; R199-D256 WeakPolarHBondContact CD-OD2 3.31Å; R199-D256 IonicContact NE-OD2 3.69Å
200G94Very high94.4Very high63 Ų6354.9 Ų54.965%0.64930%0.304SS*.THydrogen-bonded Turntrans93.95.6-177.700000114.9L196 T197 E198L196-G200 PolarHBondContact O-N 3.49Å; T197-G200 PolarHBondContact O-N 3.46Å; E198-G200 VanDerWaalsContact C-N 3.35Å
201Y94.4Very high94.3Very high60 Ų6053.6 Ų53.624%0.23530%0.297CS..  trans-98.397.6172.4-56.6-56.2000110L196 T197 R199 I251 T252L196-Y201 CarbonylContact C-O 3.52Å; L196-Y201 HydrophobicContact CD2-CD2 4.47Å; L196-Y201 PolarHBondContact O-N 2.8Å; T197-Y201 VanDerWaalsContact CA-O 3.27Å; T197-Y201 WeakPolarHBondContact CA-O 3.45Å; T197-Y201 PolarHBondContact N-O 2.79Å; R199-Y201 HydrophobicContact CB-CD2 4.27Å; Y201-I251 HydrophobicContact CD1-CB 4.14Å; Y201-I251 HydrophobicContact CD1-CG2 3.69Å; Y201-I251 HydrophobicContact CD2-CB 4.41Å; Y201-I251 HydrophobicContact CE1-CB 3.8Å; Y201-I251 HydrophobicContact CE1-CG2 3.56Å; Y201-I251 HydrophobicContact CE2-CB 4.08Å; Y201-I251 HydrophobicContact CG-CB 4.43Å; Y201-I251 HydrophobicContact CG-CG2 4.31Å; Y201-T252 WeakPolarHBondContact CE2-O 3.49Å; Y201-T252 PolarHBondContact OH-N 2.67Å
202S93.8Very high94.3Very high72 Ų7252.8 Ų52.850%0.50329%0.294SS..  trans-90126.9-178.2-165.20000111.5T204S202-T204 WeakPolarHBondContact OG-CG2 3.5Å
203F94.8Very high94.3Very high14 Ų1456.1 Ų56.16%0.06131%0.306CS..  trans-121.8115.2172.3-61.3-83.1000106.6M193 L196 E208 I211 V212 I215 L245 I251M193-F203 HydrophobicContact CG-CB 3.92Å; M193-F203 HydrophobicContact SD-CB 4.22Å; M193-F203 VanDerWaalsContact SD-O 3.39Å; L196-F203 HydrophobicContact CB-CD2 4.38Å; L196-F203 HydrophobicContact CB-CE2 4.15Å; L196-F203 HydrophobicContact CD1-CD2 4.34Å; L196-F203 HydrophobicContact CD1-CE2 3.82Å; F203-E208 HydrophobicContact CB-CB 3.9Å; F203-E208 HydrophobicContact CD1-CB 3.9Å; F203-E208 HydrophobicContact CD1-CG 4.28Å; F203-E208 HydrophobicContact CG-CB 4.4Å; F203-I211 HydrophobicContact CE1-CB 4.47Å; F203-I211 HydrophobicContact CE1-CG2 4.21Å; F203-V212 HydrophobicContact CB-CG2 3.86Å; F203-V212 HydrophobicContact CD1-CG2 4.08Å; F203-V212 HydrophobicContact CD2-CG2 3.61Å; F203-V212 HydrophobicContact CE2-CG2 4.13Å; F203-V212 HydrophobicContact CG-CG2 3.57Å; F203-I215 HydrophobicContact CZ-CD1 4.2Å; F203-L245 HydrophobicContact CE1-CD2 3.92Å; F203-L245 HydrophobicContact CZ-CD2 4.07Å; F203-I251 HydrophobicContact CZ-CD1 4.05Å
204T92.3Very high94.3Very high112 Ų11255.9 Ų55.969%0.68731%0.306SS*.  trans-118.2-22.8-167.860.40000113.3S202 E208S202-T204 WeakPolarHBondContact OG-CG2 3.5Å; T204-E208 PolarHBondContact N-OE2 3.45Å; T204-E208 PolarHBondContact OG1-OE2 2.84Å
205T91.4Very high94.4Very high65 Ų6550 Ų5040%0.39928%0.28SS..SBendtrans-97160.1-176.668.60000112.2A207 E208 R209T205-A207 PolarHBondContact O-N 2.96Å; T205-E208 PolarHBondContact N-OE2 3.41Å; T205-E208 PolarHBondContact O-N 2.92Å; T205-E208 WeakPolarHBondContact OG1-CB 3.33Å; T205-E208 VanDerWaalsContact OG1-CD 3.3Å; T205-E208 WeakPolarHBondContact OG1-CG 3.42Å; T205-E208 PolarHBondContact OG1-N 3.01Å; T205-E208 VanDerWaalsContact OG1-N 3.13Å; T205-E208 PolarHBondContact OG1-OE2 2.79Å; T205-R209 PolarHBondContact O-N 2.92Å
206T87.9Confident94.5Very high75 Ų7550.3 Ų50.346%0.4628%0.281SS..THydrogen-bonded Turntrans-66.8-20.4174.958.20000113.3R65R65-T206 WeakPolarHBondContact CD-O 3.36Å; R65-T206 PolarHBondContact NH1-O 2.95Å
207A89Confident94.5Very high52 Ų5255.7 Ų55.743%0.4331%0.306SS..THydrogen-bonded Turntrans-76.8-45.2172.800000110.7T205 R209 E210T205-A207 PolarHBondContact O-N 2.96Å; A207-R209 VanDerWaalsContact C-N 3.26Å; A207-R209 PolarHBondContact O-N 3.2Å; A207-E210 WeakPolarHBondContact O-CB 3.45Å; A207-E210 PolarHBondContact O-N 2.83Å
208E93.4Very high94.6Very high58 Ų5859.2 Ų59.227%0.27132%0.317SS..Hα-helixtrans-62.3-33.1175.3-76.7167.1158.700112.6F203 T204 T205 E210 I211 V212F203-E208 HydrophobicContact CB-CB 3.9Å; F203-E208 HydrophobicContact CD1-CB 3.9Å; F203-E208 HydrophobicContact CD1-CG 4.28Å; F203-E208 HydrophobicContact CG-CB 4.4Å; T204-E208 PolarHBondContact N-OE2 3.45Å; T204-E208 PolarHBondContact OG1-OE2 2.84Å; T205-E208 PolarHBondContact N-OE2 3.41Å; T205-E208 PolarHBondContact O-N 2.92Å; T205-E208 WeakPolarHBondContact OG1-CB 3.33Å; T205-E208 VanDerWaalsContact OG1-CD 3.3Å; T205-E208 WeakPolarHBondContact OG1-CG 3.42Å; T205-E208 PolarHBondContact OG1-N 3.01Å; T205-E208 VanDerWaalsContact OG1-N 3.13Å; T205-E208 PolarHBondContact OG1-OE2 2.79Å; E208-E210 PolarHBondContact O-N 3.32Å; E208-I211 HydrophobicContact CG-CD1 4.38Å; E208-I211 WeakPolarHBondContact O-CA 3.37Å; E208-I211 VanDerWaalsContact O-CB 3.26Å; E208-I211 WeakPolarHBondContact O-CB 3.37Å; E208-I211 PolarHBondContact O-N 2.99Å; E208-V212 PolarHBondContact O-N 3.1Å; E208-V212 VanDerWaalsContact O-N 3.09Å
209R94.5Very high94.8Very high34 Ų3454.8 Ų54.813%0.12830%0.297CS..Hα-helixtrans-54.3-33.2171.3-170.8-174.7-177.1-77.6-5.8113R186 T189 D190 M193 T205 A207 V212 R213R186-R209 PolarHBondContact O-NH2 2.92Å; R186-R209 VanDerWaalsContact O-NH2 3.07Å; T189-R209 HydrophobicContact CG2-CG 4.14Å; D190-R209 VanDerWaalsContact CG-NH2 3.25Å; D190-R209 IonicContact OD1-CZ 2.72Å; D190-R209 VanDerWaalsContact OD1-CZ 3.32Å; D190-R209 IonicContact OD1-NE 3.66Å; D190-R209 PolarHBondContact OD1-NE 2.93Å; D190-R209 IonicContact OD1-NH2 3.96Å; D190-R209 PolarHBondContact OD1-NH2 3Å; D190-R209 IonicContact OD2-CZ 3.46Å; D190-R209 IonicContact OD2-NE 3.29Å; D190-R209 IonicContact OD2-NH2 3.93Å; D190-R209 PolarHBondContact OD2-NH2 3.16Å; M193-R209 HydrophobicContact SD-CB 4.39Å; M193-R209 HydrophobicContact SD-CG 4.41Å; T205-R209 PolarHBondContact O-N 2.92Å; A207-R209 VanDerWaalsContact C-N 3.26Å; A207-R209 PolarHBondContact O-N 3.2Å; R209-V212 WeakPolarHBondContact O-CB 3.31Å; R209-V212 PolarHBondContact O-N 3.12Å; R209-R213 PolarHBondContact O-N 2.99Å
210E94.4Very high95.2Very high28 Ų2850.3 Ų50.313%0.13128%0.28CS..Hα-helixtrans-74.5-29.7177.8-61-65.3146.300112.3Q62 R65 A207 E208 V212 R213 D214Q62-E210 VanDerWaalsContact NE2-CD 3.35Å; Q62-E210 VanDerWaalsContact NE2-CG 3.29Å; Q62-E210 PolarHBondContact NE2-OE2 2.99Å; R65-E210 IonicContact CZ-OE1 3.7Å; R65-E210 IonicContact NH1-OE1 3.15Å; R65-E210 PolarHBondContact NH1-OE1 3.31Å; R65-E210 IonicContact NH2-OE1 3.52Å; R65-E210 PolarHBondContact NH2-OE1 3.31Å; A207-E210 WeakPolarHBondContact O-CB 3.45Å; A207-E210 PolarHBondContact O-N 2.83Å; E208-E210 PolarHBondContact O-N 3.32Å; E210-V212 VanDerWaalsContact C-N 3.31Å; E210-R213 WeakPolarHBondContact O-CB 3.41Å; E210-R213 PolarHBondContact O-N 2.85Å; E210-R213 IonicContact OE2-CZ 3.06Å; E210-R213 IonicContact OE2-NE 2.73Å; E210-R213 PolarHBondContact OE2-NE 3.01Å; E210-R213 IonicContact OE2-NH2 3.1Å; E210-R213 PolarHBondContact OE2-NH2 2.86Å; E210-D214 PolarHBondContact O-N 2.66Å
211I96.4Very high95.5Very high31 Ų3148.9 Ų48.916%0.15926%0.255CS..Hα-helixtrans-63.2-44169.5-53.4172.4000108.9F203 E208 R213 D214 I215 Y243 L245 P246F203-I211 HydrophobicContact CE1-CB 4.47Å; F203-I211 HydrophobicContact CE1-CG2 4.21Å; E208-I211 HydrophobicContact CG-CD1 4.38Å; E208-I211 WeakPolarHBondContact O-CA 3.37Å; E208-I211 VanDerWaalsContact O-CB 3.26Å; E208-I211 WeakPolarHBondContact O-CB 3.37Å; E208-I211 PolarHBondContact O-N 2.99Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 2.88Å; I211-D214 PolarHBondContact O-N 3.17Å; I211-I215 HydrophobicContact CG2-CD1 4.11Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.37Å; I211-I215 PolarHBondContact O-N 2.8Å; I211-Y243 HydrophobicContact CG2-CE1 3.83Å; I211-L245 HydrophobicContact CG2-CD2 3.75Å; I211-P246 HydrophobicContact CD1-CG 3.77Å; I211-P246 HydrophobicContact CG1-CG 4.13Å
212V98Very high95.7Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-62.2-40175.6-1790000111.7T189 L192 M193 L196 F203 E208 R209 E210 D214 I215 K216T189-V212 HydrophobicContact CG2-CB 4.3Å; T189-V212 HydrophobicContact CG2-CG1 4.12Å; T189-V212 WeakPolarHBondContact O-CG1 3.26Å; L192-V212 HydrophobicContact CB-CG1 3.78Å; L192-V212 HydrophobicContact CD2-CG1 3.84Å; L192-V212 HydrophobicContact CG-CG1 3.76Å; M193-V212 HydrophobicContact CB-CG1 4.06Å; M193-V212 HydrophobicContact CB-CG2 4.22Å; M193-V212 HydrophobicContact CG-CG2 4.14Å; L196-V212 HydrophobicContact CD1-CG1 4.27Å; L196-V212 HydrophobicContact CD1-CG2 4.39Å; F203-V212 HydrophobicContact CB-CG2 3.86Å; F203-V212 HydrophobicContact CD1-CG2 4.08Å; F203-V212 HydrophobicContact CD2-CG2 3.61Å; F203-V212 HydrophobicContact CE2-CG2 4.13Å; F203-V212 HydrophobicContact CG-CG2 3.57Å; E208-V212 PolarHBondContact O-N 3.1Å; E208-V212 VanDerWaalsContact O-N 3.09Å; R209-V212 WeakPolarHBondContact O-CB 3.31Å; R209-V212 PolarHBondContact O-N 3.12Å; E210-V212 VanDerWaalsContact C-N 3.31Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.79Å; V212-I215 PolarHBondContact O-N 2.91Å; V212-K216 WeakPolarHBondContact O-CB 3.34Å; V212-K216 PolarHBondContact O-N 2.85Å
213R97.4Very high95.9Very high70 Ų7042.8 Ų42.826%0.26422%0.222SC..Hα-helixtrans-60.6-43.3174-171.6-17661.3753.1111.6T189 R209 E210 I211 K216 E217T189-R213 HydrophobicContact CG2-CB 3.85Å; R209-R213 PolarHBondContact O-N 2.99Å; E210-R213 WeakPolarHBondContact O-CB 3.41Å; E210-R213 PolarHBondContact O-N 2.85Å; E210-R213 IonicContact OE2-CZ 3.06Å; E210-R213 IonicContact OE2-NE 2.73Å; E210-R213 PolarHBondContact OE2-NE 3.01Å; E210-R213 IonicContact OE2-NH2 3.1Å; E210-R213 PolarHBondContact OE2-NH2 2.86Å; I211-R213 VanDerWaalsContact C-N 3.33Å; I211-R213 PolarHBondContact O-N 2.88Å; R213-K216 WeakPolarHBondContact O-CB 3.46Å; R213-K216 PolarHBondContact O-N 3.28Å; R213-E217 WeakPolarHBondContact CG-OE1 3.23Å; R213-E217 IonicContact CZ-OE1 3.49Å; R213-E217 IonicContact NH1-OE1 2.74Å; R213-E217 PolarHBondContact NH1-OE1 3.16Å; R213-E217 IonicContact NH1-OE2 2.73Å; R213-E217 PolarHBondContact NH1-OE2 2.88Å; R213-E217 VanDerWaalsContact NH1-OE2 3.12Å; R213-E217 WeakPolarHBondContact O-CG 3.26Å; R213-E217 PolarHBondContact O-N 3.31Å
214D97.8Very high96Very high38 Ų3846.4 Ų46.420%0.20324%0.241CC..Hα-helixtrans-66.6-41.7177.6-173.585.4000112.1E210 I211 V212 K216 E217 K218 Y243E210-D214 PolarHBondContact O-N 2.66Å; I211-D214 PolarHBondContact O-N 3.17Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.79Å; D214-K216 VanDerWaalsContact C-N 3.31Å; D214-K216 PolarHBondContact O-N 3.21Å; D214-E217 PolarHBondContact O-N 2.98Å; D214-K218 VanDerWaalsContact CG-NZ 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.43Å; D214-K218 WeakPolarHBondContact O-CG 3.4Å; D214-K218 PolarHBondContact O-N 3.14Å; D214-K218 WeakPolarHBondContact OD1-CE 3.46Å; D214-K218 IonicContact OD1-NZ 2.66Å; D214-K218 PolarHBondContact OD1-NZ 3.26Å; D214-K218 VanDerWaalsContact OD1-NZ 3.1Å; D214-K218 VanDerWaalsContact OD2-CD 3.22Å; D214-K218 WeakPolarHBondContact OD2-CD 3.35Å; D214-K218 WeakPolarHBondContact OD2-CE 3.48Å; D214-K218 IonicContact OD2-NZ 3.5Å; D214-K218 PolarHBondContact OD2-NZ 3.2Å; D214-Y243 VanDerWaalsContact OD2-CE2 3.3Å; D214-Y243 WeakPolarHBondContact OD2-CE2 3.45Å; D214-Y243 PolarHBondContact OD2-OH 2.72Å
215I98.4Very high96.3Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-55.8-47.9171.3-68.4165.2000110.3L192 L196 F203 I211 V212 E217 K218 L219 Y243 I251 V253L192-I215 HydrophobicContact CD2-CB 4.43Å; L192-I215 HydrophobicContact CD2-CG2 4.06Å; L196-I215 HydrophobicContact CD1-CD1 4.25Å; F203-I215 HydrophobicContact CZ-CD1 4.2Å; I211-I215 HydrophobicContact CG2-CD1 4.11Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.37Å; I211-I215 PolarHBondContact O-N 2.8Å; V212-I215 PolarHBondContact O-N 2.91Å; I215-E217 PolarHBondContact O-N 2.99Å; I215-K218 PolarHBondContact O-N 2.9Å; I215-L219 HydrophobicContact CG2-CD1 4.3Å; I215-L219 WeakPolarHBondContact O-CB 3.43Å; I215-L219 PolarHBondContact O-N 2.82Å; I215-Y243 HydrophobicContact CB-CD2 4.5Å; I215-Y243 HydrophobicContact CB-CE2 4.48Å; I215-Y243 HydrophobicContact CD1-CD1 4.02Å; I215-Y243 HydrophobicContact CD1-CE1 4.13Å; I215-Y243 HydrophobicContact CD1-CG 4.35Å; I215-Y243 HydrophobicContact CG1-CD1 3.74Å; I215-Y243 HydrophobicContact CG1-CD2 3.66Å; I215-Y243 HydrophobicContact CG1-CE1 3.73Å; I215-Y243 HydrophobicContact CG1-CE2 3.63Å; I215-Y243 HydrophobicContact CG1-CG 3.72Å; I215-I251 HydrophobicContact CD1-CD1 3.85Å; I215-V253 HydrophobicContact CG2-CG1 4.32Å; I215-V253 HydrophobicContact CG2-CG2 3.95Å
216K98.5Very high96.6Very high8 Ų841.2 Ų41.24%0.03521%0.206CC..Hα-helixtrans-56.8-51.8178.1-178.1-170.560.6155.70110.9G185 L188 T189 L192 V212 R213 D214 K218 C220 F309G185-K216 PolarHBondContact O-NZ 3.37Å; L188-K216 HydrophobicContact CB-CD 3.95Å; T189-K216 WeakPolarHBondContact OG1-CE 3.35Å; T189-K216 PolarHBondContact OG1-NZ 3.38Å; T189-K216 VanDerWaalsContact OG1-NZ 3.09Å; L192-K216 HydrophobicContact CD2-CB 3.6Å; L192-K216 HydrophobicContact CD2-CG 4.36Å; V212-K216 WeakPolarHBondContact O-CB 3.34Å; V212-K216 PolarHBondContact O-N 2.85Å; R213-K216 WeakPolarHBondContact O-CB 3.46Å; R213-K216 PolarHBondContact O-N 3.28Å; D214-K216 VanDerWaalsContact C-N 3.31Å; D214-K216 PolarHBondContact O-N 3.21Å; K216-K218 PolarHBondContact O-N 3.12Å; K216-C220 HydrophobicContact CG-CB 4.49Å; K216-C220 WeakPolarHBondContact O-CB 3.48Å; K216-C220 PolarHBondContact O-N 3.44Å; K216-C220 VanDerWaalsContact O-N 3.15Å; K216-F309 HydrophobicContact CD-CZ 4.1Å; K216-F309 HydrophobicContact CG-CE1 3.93Å; K216-F309 HydrophobicContact CG-CZ 3.9Å
217E98.2Very high97.1Very high113 Ų11342 Ų4253%0.52821%0.207SC..Hα-helixtrans-67.6-35.1-176.3-72.7173.2-160.400112.9R213 D214 I215R213-E217 WeakPolarHBondContact CG-OE1 3.23Å; R213-E217 IonicContact CZ-OE1 3.49Å; R213-E217 IonicContact NH1-OE1 2.74Å; R213-E217 PolarHBondContact NH1-OE1 3.16Å; R213-E217 IonicContact NH1-OE2 2.73Å; R213-E217 PolarHBondContact NH1-OE2 2.88Å; R213-E217 VanDerWaalsContact NH1-OE2 3.12Å; R213-E217 WeakPolarHBondContact O-CG 3.26Å; R213-E217 PolarHBondContact O-N 3.31Å; D214-E217 PolarHBondContact O-N 2.98Å; I215-E217 PolarHBondContact O-N 2.99Å
218K98.2Very high97.5Very high135 Ų13545.9 Ų45.959%0.58722%0.217SC*.Hα-helixtrans-84.4-36.3-178.4-71.6-178-175.9156.60114.2D214 I215 K216 Y243D214-K218 VanDerWaalsContact CG-NZ 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.43Å; D214-K218 WeakPolarHBondContact O-CG 3.4Å; D214-K218 PolarHBondContact O-N 3.14Å; D214-K218 WeakPolarHBondContact OD1-CE 3.46Å; D214-K218 IonicContact OD1-NZ 2.66Å; D214-K218 PolarHBondContact OD1-NZ 3.26Å; D214-K218 VanDerWaalsContact OD1-NZ 3.1Å; D214-K218 VanDerWaalsContact OD2-CD 3.22Å; D214-K218 WeakPolarHBondContact OD2-CD 3.35Å; D214-K218 WeakPolarHBondContact OD2-CE 3.48Å; D214-K218 IonicContact OD2-NZ 3.5Å; D214-K218 PolarHBondContact OD2-NZ 3.2Å; I215-K218 PolarHBondContact O-N 2.9Å; K216-K218 PolarHBondContact O-N 3.12Å; K218-Y243 HydrophobicContact CD-CE2 4.33Å
219L98.4Very high97.7Very high24 Ų2445.2 Ų45.213%0.12621%0.214CC..Hα-helixtrans-113.8-26.4-166.1-58.4-171.5000114.4I215 K241 Y243 V253 R257I215-L219 HydrophobicContact CG2-CD1 4.3Å; I215-L219 WeakPolarHBondContact O-CB 3.43Å; I215-L219 PolarHBondContact O-N 2.82Å; L219-K241 HydrophobicContact CD1-CB 4.16Å; L219-K241 HydrophobicContact CD2-CB 4.11Å; L219-Y243 HydrophobicContact CD1-CD2 4.08Å; L219-Y243 HydrophobicContact CD1-CG 4.44Å; L219-V253 HydrophobicContact CD1-CB 4.14Å; L219-V253 HydrophobicContact CD1-CG2 3.88Å; L219-R257 HydrophobicContact CB-CG 4.33Å; L219-R257 VanDerWaalsContact O-CZ 3.3Å; L219-R257 PolarHBondContact O-NE 3.11Å; L219-R257 PolarHBondContact O-NH2 3Å
220C98.7Very high97.8Very high4 Ų446.3 Ų46.33%0.02722%0.221CC..  trans-76.4151.9-176.2-67.90000113K216 R257 P261 F309K216-C220 HydrophobicContact CG-CB 4.49Å; K216-C220 WeakPolarHBondContact O-CB 3.48Å; K216-C220 PolarHBondContact O-N 3.44Å; K216-C220 VanDerWaalsContact O-N 3.15Å; C220-R257 CarbonylContact C-O 3.59Å; C220-R257 WeakPolarHBondContact CA-O 3.28Å; C220-R257 WeakPolarHBondContact CB-O 3.46Å; C220-R257 PolarHBondContact SG-O 3.12Å; C220-R257 VanDerWaalsContact SG-O 3.4Å; C220-P261 HydrophobicContact CB-CG 4.38Å; C220-F309 HydrophobicContact CB-CD1 3.99Å; C220-F309 HydrophobicContact CB-CE1 3.67Å
221Y98.7Very high97.9Very high33 Ų3348 Ų4813%0.12924%0.236CC..  trans-154.5157.6179.166.7-81.7000110.1E229 R257 F258 P261Y221-E229 PolarHBondContact OH-OE1 2.73Å; Y221-R257 HydrophobicContact CD1-CB 4.06Å; Y221-R257 HydrophobicContact CE1-CB 3.83Å; Y221-R257 PolarHBondContact N-O 3.04Å; Y221-F258 HydrophobicContact CD2-CB 4.42Å; Y221-F258 HydrophobicContact CE1-CB 4.3Å; Y221-F258 HydrophobicContact CE1-CD1 4.31Å; Y221-F258 HydrophobicContact CE2-CB 4.07Å; Y221-F258 AromaticContact CZ-CD1 3.88Å; Y221-F258 VanDerWaalsContact O-CA 3.23Å; Y221-F258 WeakPolarHBondContact O-CA 3.29Å; Y221-F258 WeakPolarHBondContact O-CB 3.41Å; Y221-F258 WeakPolarHBondContact OH-CD1 3.47Å; Y221-P261 WeakPolarHBondContact O-CG 3.44Å
222V98.7Very high98Very high4 Ų449.3 Ų49.32%0.02425%0.245CC..  trans-90.3123.1176.2174.30000109.2P261 F265 F309 P310 I312 R315V222-P261 HydrophobicContact CG2-CB 3.86Å; V222-P261 HydrophobicContact CG2-CG 4.22Å; V222-F265 HydrophobicContact CG1-CD2 4.38Å; V222-F265 HydrophobicContact CG1-CE2 3.63Å; V222-F265 HydrophobicContact CG1-CZ 4.1Å; V222-F265 HydrophobicContact CG2-CE2 4.08Å; V222-F309 HydrophobicContact CG2-CB 3.88Å; V222-F309 HydrophobicContact CG2-CG 4.46Å; V222-P310 PolarHBondContact N-O 2.82Å; V222-I312 HydrophobicContact CB-CB 4.3Å; V222-I312 HydrophobicContact CG2-CB 3.93Å; V222-I312 HydrophobicContact CG2-CG1 4.07Å; V222-R315 HydrophobicContact CG1-CB 3.47Å; V222-R315 VanDerWaalsContact CG1-CB 3.47Å; V222-R315 HydrophobicContact CG1-CG 3.62Å
223A98.4Very high97.8Very high1 Ų150.5 Ų50.51%0.00826%0.255CS..  trans-72.9140.8172.800000111E229 F258 R315A223-E229 HydrophobicContact CB-CB 3.8Å; A223-E229 HydrophobicContact CB-CG 3.9Å; A223-F258 HydrophobicContact CB-CB 4.11Å; A223-F258 HydrophobicContact CB-CD2 4.32Å; A223-F258 HydrophobicContact CB-CG 4.39Å; A223-R315 WeakPolarHBondContact O-CD 3.34Å; A223-R315 PolarHBondContact O-NH1 2.94Å
224L98.4Very high97.7Very high90 Ų9051.3 Ų51.347%0.47127%0.272SS..SBendtrans-69.9-37.8175-177.464.4000111.6D314 R315 K318L224-D314 HydrophobicContact CD1-CB 4.22Å; L224-R315 WeakPolarHBondContact O-CD 3.49Å; L224-K318 HydrophobicContact CD1-CB 4.06Å; L224-K318 HydrophobicContact CD1-CD 3.82Å; L224-K318 HydrophobicContact CG-CD 4.16Å; L224-K318 WeakPolarHBondContact O-CD 3.1Å; L224-K318 PolarHBondContact O-NZ 3.4Å
225D98.1Very high97.5Very high57 Ų5757.2 Ų57.231%0.30530%0.298SS..SBendtrans-131103.1172.8-165.3-61.5000108.8D227 Q228 E229 K318D225-D227 VanDerWaalsContact C-N 3.34Å; D225-D227 PolarHBondContact O-N 3.39Å; D225-D227 PolarHBondContact OD1-N 3.41Å; D225-Q228 HydrophobicContact CB-CB 3.92Å; D225-Q228 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q228 PolarHBondContact OD1-N 3.22Å; D225-E229 WeakPolarHBondContact O-CB 3.45Å; D225-E229 PolarHBondContact O-N 2.64Å; D225-K318 IonicContact OD2-NZ 3.86Å; D225-K318 PolarHBondContact OD2-NZ 3.46Å; D225-K318 VanDerWaalsContact OD2-NZ 3.1Å
226F97.8Very high97.2Very high10 Ų1059.4 Ų59.44%0.04431%0.314CS..Hα-helixtrans-61.1-43-173.6176.3-96.6000112.4E229 M230 F258 R259 E262 F269F226-E229 PolarHBondContact O-N 2.87Å; F226-M230 HydrophobicContact CE1-CE 4.22Å; F226-M230 HydrophobicContact CZ-CE 3.74Å; F226-M230 WeakPolarHBondContact O-CB 3.35Å; F226-M230 PolarHBondContact O-N 2.79Å; F226-F258 AromaticContact CD2-CD2 3.96Å; F226-F258 HydrophobicContact CD2-CD2 3.96Å; F226-F258 HydrophobicContact CD2-CE2 4.31Å; F226-F258 AromaticContact CE2-CD2 3.89Å; F226-F258 HydrophobicContact CE2-CD2 3.89Å; F226-F258 HydrophobicContact CE2-CE2 4.07Å; F226-R259 HydrophobicContact CE2-CB 4.5Å; F226-R259 HydrophobicContact CE2-CG 3.95Å; F226-R259 HydrophobicContact CZ-CG 4.08Å; F226-E262 HydrophobicContact CB-CG 4.5Å; F226-E262 HydrophobicContact CD1-CG 4.46Å; F226-E262 HydrophobicContact CD2-CB 3.76Å; F226-E262 HydrophobicContact CD2-CG 3.44Å; F226-E262 VanDerWaalsContact CD2-CG 3.44Å; F226-E262 HydrophobicContact CE2-CB 3.77Å; F226-E262 HydrophobicContact CE2-CG 3.68Å; F226-E262 HydrophobicContact CG-CG 3.87Å; F226-E262 HydrophobicContact CZ-CG 4.27Å; F226-F269 HydrophobicContact CE1-CE2 4.12Å; F226-F269 AromaticContact CE1-CZ 3.77Å; F226-F269 HydrophobicContact CE1-CZ 3.77Å; F226-F269 HydrophobicContact CE2-CE2 4.03Å; F226-F269 AromaticContact CZ-CE2 3.54Å; F226-F269 HydrophobicContact CZ-CE2 3.54Å; F226-F269 AromaticContact CZ-CZ 3.68Å; F226-F269 HydrophobicContact CZ-CZ 3.68Å
227D97.5Very high96.9Very high91 Ų9163 Ų6349%0.48734%0.34SS..Hα-helixtrans-73-37.4-173.9-60.8-53.9000110.5D225 S231 R266D225-D227 VanDerWaalsContact C-N 3.34Å; D225-D227 PolarHBondContact O-N 3.39Å; D225-D227 PolarHBondContact OD1-N 3.41Å; D227-S231 PolarHBondContact O-N 2.88Å; D227-R266 IonicContact OD1-NH1 3.59Å; D227-R266 IonicContact OD2-CZ 2.92Å; D227-R266 IonicContact OD2-NH1 2.86Å; D227-R266 IonicContact OD2-NH2 3.34Å; D227-R266 PolarHBondContact OD2-NH2 3.46Å; D227-R266 VanDerWaalsContact OD2-NH2 3.15Å
228Q97.3Very high96.7Very high134 Ų13461.4 Ų61.463%0.62634%0.341SS*.Hα-helixtrans-65.4-43.9171.4-174.9-179.1-3.900112.7D225 M230 S231 T232D225-Q228 HydrophobicContact CB-CB 3.92Å; D225-Q228 WeakPolarHBondContact OD1-CB 3.22Å; D225-Q228 PolarHBondContact OD1-N 3.22Å; Q228-M230 VanDerWaalsContact C-N 3.31Å; Q228-M230 PolarHBondContact O-N 2.68Å; Q228-S231 WeakPolarHBondContact O-CB 3.24Å; Q228-S231 PolarHBondContact O-N 3.27Å; Q228-T232 PolarHBondContact O-N 2.7Å; Q228-T232 PolarHBondContact O-OG1 2.92Å; Q228-T232 VanDerWaalsContact O-OG1 3.05Å
229E97.5Very high96.5Very high44 Ų4456.2 Ų56.221%0.20632%0.319CS..Hα-helixtrans-64-39.7178.6-161.384.9-160.600110.7Y221 A223 D225 F226 T232 A233 L239 F258Y221-E229 PolarHBondContact OH-OE1 2.73Å; A223-E229 HydrophobicContact CB-CB 3.8Å; A223-E229 HydrophobicContact CB-CG 3.9Å; D225-E229 WeakPolarHBondContact O-CB 3.45Å; D225-E229 PolarHBondContact O-N 2.64Å; F226-E229 PolarHBondContact O-N 2.87Å; E229-T232 PolarHBondContact O-N 2.92Å; E229-A233 WeakPolarHBondContact O-CB 3.23Å; E229-A233 PolarHBondContact O-N 3.27Å; E229-L239 HydrophobicContact CG-CD1 3.97Å; E229-L239 WeakPolarHBondContact OE1-CD1 3.27Å; E229-L239 WeakPolarHBondContact OE1-CD2 3.45Å; E229-F258 HydrophobicContact CB-CD2 4.22Å; E229-F258 HydrophobicContact CB-CE1 4.47Å; E229-F258 HydrophobicContact CB-CE2 3.97Å; E229-F258 HydrophobicContact CB-CZ 4.1Å; E229-F258 HydrophobicContact CG-CD1 3.7Å; E229-F258 HydrophobicContact CG-CD2 4Å; E229-F258 HydrophobicContact CG-CE1 3.62Å; E229-F258 HydrophobicContact CG-CE2 3.95Å; E229-F258 HydrophobicContact CG-CG 3.89Å; E229-F258 HydrophobicContact CG-CZ 3.75Å
230M97.3Very high96.4Very high57 Ų5758.9 Ų58.928%0.28133%0.331SS..Hα-helixtrans-61.4-43.3173.9-172.66896.700112.2F226 Q228 T232 A233 S234 N255 F258 R259F226-M230 HydrophobicContact CE1-CE 4.22Å; F226-M230 HydrophobicContact CZ-CE 3.74Å; F226-M230 WeakPolarHBondContact O-CB 3.35Å; F226-M230 PolarHBondContact O-N 2.79Å; Q228-M230 VanDerWaalsContact C-N 3.31Å; Q228-M230 PolarHBondContact O-N 2.68Å; M230-T232 VanDerWaalsContact C-N 3.32Å; M230-T232 PolarHBondContact O-N 3.45Å; M230-A233 PolarHBondContact O-N 3.23Å; M230-S234 PolarHBondContact O-N 3.06Å; M230-S234 VanDerWaalsContact O-N 3.12Å; M230-N255 HydrophobicContact SD-CB 4.28Å; M230-F258 HydrophobicContact CB-CE2 4.31Å; M230-F258 HydrophobicContact SD-CE2 4.48Å; M230-F258 HydrophobicContact SD-CZ 4.5Å; M230-R259 HydrophobicContact CE-CG 3.82Å
231S97.2Very high96.4Very high65 Ų6563.7 Ų63.746%0.45535%0.351SS..Hα-helixtrans-63-38.7174.7-175.10000112D227 Q228 S234 H235D227-S231 PolarHBondContact O-N 2.88Å; Q228-S231 WeakPolarHBondContact O-CB 3.24Å; Q228-S231 PolarHBondContact O-N 3.27Å; S231-S234 PolarHBondContact O-N 3.49Å; S231-S234 PolarHBondContact O-OG 3.07Å; S231-H235 PolarHBondContact O-ND1 2.89Å
232T96.6Very high96.3Very high57 Ų5765.8 Ų65.835%0.3537%0.371SS..Hα-helixtrans-66.5-43.2176.5-57.50000111Q228 E229 M230 S234 H235 S236 L239Q228-T232 PolarHBondContact O-N 2.7Å; Q228-T232 PolarHBondContact O-OG1 2.92Å; Q228-T232 VanDerWaalsContact O-OG1 3.05Å; E229-T232 PolarHBondContact O-N 2.92Å; M230-T232 VanDerWaalsContact C-N 3.32Å; M230-T232 PolarHBondContact O-N 3.45Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.32Å; T232-H235 PolarHBondContact O-N 2.93Å; T232-S236 WeakPolarHBondContact O-CB 3.45Å; T232-S236 PolarHBondContact O-N 2.92Å; T232-L239 HydrophobicContact CG2-CD1 4.12Å
233A94.9Very high96.3Very high25 Ų2566.9 Ų66.921%0.20738%0.375CS..Hα-helixtrans-65.2-26.4179.300000113.9E229 M230 L239 N255 F258E229-A233 WeakPolarHBondContact O-CB 3.23Å; E229-A233 PolarHBondContact O-N 3.27Å; M230-A233 PolarHBondContact O-N 3.23Å; A233-L239 HydrophobicContact CB-CD1 3.97Å; A233-N255 HydrophobicContact CB-CB 3.91Å; A233-F258 HydrophobicContact CB-CE1 4.04Å; A233-F258 HydrophobicContact CB-CZ 3.88Å
234S94.5Very high96.2Very high88 Ų8873 Ų7362%0.61540%0.403SS*.Hα-helixtrans-77.8-21.1176.564.30000113.4M230 S231 T232M230-S234 PolarHBondContact O-N 3.06Å; M230-S234 VanDerWaalsContact O-N 3.12Å; S231-S234 PolarHBondContact O-N 3.49Å; S231-S234 PolarHBondContact O-OG 3.07Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 3.32Å
235H93.9Very high96.1Very high161 Ų16169.6 Ų69.675%0.74539%0.386SS*.Hα-helixtrans-109.3-14.3-178.3-62.188.6000113.9S231 T232S231-H235 PolarHBondContact O-ND1 2.89Å; T232-H235 PolarHBondContact O-N 2.93Å
236S92.3Very high95.9Very high47 Ų4772.1 Ų72.133%0.32941%0.405SS..  trans-140.4136.1-173.2-1780000111.9T232 S238T232-S236 WeakPolarHBondContact O-CB 3.45Å; T232-S236 PolarHBondContact O-N 2.92Å; S236-S238 PolarHBondContact O-N 3.44Å; S236-S238 WeakPolarHBondContact OG-CB 3.27Å; S236-S238 PolarHBondContact OG-N 2.85Å; S236-S238 PolarHBondContact OG-OG 3.12Å
237S92.7Very high95.7Very high84 Ų8477.3 Ų77.359%0.58743%0.433SS*.G310 helixtrans-81.72.916957.20000113.2L239 E240S237-L239 PolarHBondContact O-N 3.08Å; S237-L239 VanDerWaalsContact O-N 3.07Å; S237-E240 WeakPolarHBondContact CB-OE2 3.33Å; S237-E240 WeakPolarHBondContact O-CB 3.47Å; S237-E240 PolarHBondContact O-N 3.02Å
238S93.6Very high95.5Very high78 Ų7875 Ų7555%0.54543%0.43SS..G310 helixtrans-59.8-22.3-178.560.10000114.1S236S236-S238 PolarHBondContact O-N 3.44Å; S236-S238 WeakPolarHBondContact OG-CB 3.27Å; S236-S238 PolarHBondContact OG-N 2.85Å; S236-S238 PolarHBondContact OG-OG 3.12Å
239L94.6Very high95.4Very high26 Ų2673.5 Ų73.514%0.13642%0.424CS..G310 helixtrans-90.8-8.9178.3-57.7-179.2000112.9E229 T232 A233 S237 R257 F258E229-L239 HydrophobicContact CG-CD1 3.97Å; E229-L239 WeakPolarHBondContact OE1-CD1 3.27Å; E229-L239 WeakPolarHBondContact OE1-CD2 3.45Å; T232-L239 HydrophobicContact CG2-CD1 4.12Å; A233-L239 HydrophobicContact CB-CD1 3.97Å; S237-L239 PolarHBondContact O-N 3.08Å; S237-L239 VanDerWaalsContact O-N 3.07Å; L239-R257 PolarHBondContact O-NH1 3.32Å; L239-F258 HydrophobicContact CD1-CE1 4.05Å
240E96.5Very high95.4Very high80 Ų8076.3 Ų76.337%0.37444%0.438SS..  trans-73.1145.8179.1-60.1-170.4142.600111.4R199 S237 T252 V253R199-E240 IonicContact NH2-OE1 3.05Å; S237-E240 WeakPolarHBondContact CB-OE2 3.33Å; S237-E240 WeakPolarHBondContact O-CB 3.47Å; S237-E240 PolarHBondContact O-N 3.02Å; E240-T252 HydrophobicContact CB-CG2 3.77Å; E240-T252 HydrophobicContact CG-CG2 4.15Å; E240-V253 WeakPolarHBondContact CA-O 3.5Å
241K97.6Very high95.3Very high105 Ų10573.7 Ų73.746%0.45743%0.425SS..EExtended strand (participates in β ladder)trans-132.8140.6171.3-68.3-66.3177.6-172.70110L219 V253 R257L219-K241 HydrophobicContact CD1-CB 4.16Å; L219-K241 HydrophobicContact CD2-CB 4.11Å; K241-V253 PolarHBondContact N-O 3.12Å; K241-V253 PolarHBondContact O-N 3.29Å; K241-R257 VanDerWaalsContact CG-NH1 3.34Å
242S97Very high95.3Very high78 Ų7872.6 Ų72.655%0.54542%0.416SS..EExtended strand (participates in β ladder)trans-83.6146172.3-52.20000110.5I251S242-I251 CarbonylContact C-O 3.59Å; S242-I251 VanDerWaalsContact CA-O 3.26Å; S242-I251 WeakPolarHBondContact CA-O 3.35Å
243Y98Very high95.3Very high27 Ų2769.9 Ų69.911%0.10640%0.399CS..EExtended strand (participates in β ladder)trans-132.4135.7174.8-177.6-86.2000109I211 D214 I215 K218 L219 L245 M250 I251I211-Y243 HydrophobicContact CG2-CE1 3.83Å; D214-Y243 VanDerWaalsContact OD2-CE2 3.3Å; D214-Y243 WeakPolarHBondContact OD2-CE2 3.45Å; D214-Y243 PolarHBondContact OD2-OH 2.72Å; I215-Y243 HydrophobicContact CB-CD2 4.5Å; I215-Y243 HydrophobicContact CB-CE2 4.48Å; I215-Y243 HydrophobicContact CD1-CD1 4.02Å; I215-Y243 HydrophobicContact CD1-CE1 4.13Å; I215-Y243 HydrophobicContact CD1-CG 4.35Å; I215-Y243 HydrophobicContact CG1-CD1 3.74Å; I215-Y243 HydrophobicContact CG1-CD2 3.66Å; I215-Y243 HydrophobicContact CG1-CE1 3.73Å; I215-Y243 HydrophobicContact CG1-CE2 3.63Å; I215-Y243 HydrophobicContact CG1-CG 3.72Å; K218-Y243 HydrophobicContact CD-CE2 4.33Å; L219-Y243 HydrophobicContact CD1-CD2 4.08Å; L219-Y243 HydrophobicContact CD1-CG 4.44Å; Y243-L245 HydrophobicContact CD1-CD2 4.06Å; Y243-L245 HydrophobicContact CE1-CD2 4.04Å; Y243-M250 WeakPolarHBondContact O-CA 3.39Å; Y243-I251 HydrophobicContact CD1-CD1 4.37Å; Y243-I251 HydrophobicContact CD1-CG1 4.28Å; Y243-I251 PolarHBondContact N-O 3.35Å; Y243-I251 PolarHBondContact O-N 2.87Å
244E97.8Very high95.4Very high129 Ų12968.8 Ų68.860%0.60339%0.391SS*.EExtended strand (participates in β ladder)trans-92.2117177.7-170.6176.1175.400109.8M250E244-M250 HydrophobicContact CB-CE 4.2Å; E244-M250 HydrophobicContact CB-SD 3.53Å; E244-M250 VanDerWaalsContact CB-SD 3.53Å; E244-M250 HydrophobicContact CG-SD 3.75Å
245L96Very high95.5Very high18 Ų1866.2 Ų66.29%0.09437%0.37CS..  trans-71.3158.2173.1-65-178.5000110.8F203 I211 Y243 D247 G248 Q249 I251F203-L245 HydrophobicContact CE1-CD2 3.92Å; F203-L245 HydrophobicContact CZ-CD2 4.07Å; I211-L245 HydrophobicContact CG2-CD2 3.75Å; Y243-L245 HydrophobicContact CD1-CD2 4.06Å; Y243-L245 HydrophobicContact CE1-CD2 4.04Å; L245-D247 WeakPolarHBondContact CB-OD1 3.39Å; L245-D247 PolarHBondContact O-N 3.24Å; L245-G248 WeakPolarHBondContact O-CA 3.48Å; L245-G248 PolarHBondContact O-N 2.94Å; L245-Q249 HydrophobicContact CB-CB 4.37Å; L245-Q249 WeakPolarHBondContact CB-O 3.17Å; L245-Q249 HydrophobicContact CD1-CB 4.16Å; L245-Q249 HydrophobicContact CD1-CG 4.38Å; L245-Q249 WeakPolarHBondContact CG-O 3.47Å; L245-Q249 PolarHBondContact N-O 2.93Å; L245-I251 HydrophobicContact CD1-CG2 3.64Å; L245-I251 HydrophobicContact CD2-CD1 4Å; L245-I251 HydrophobicContact CD2-CG1 4.4Å; L245-I251 HydrophobicContact CG-CD1 4.5Å; L245-I251 HydrophobicContact CG-CG1 4.43Å; L245-I251 HydrophobicContact CG-CG2 3.99Å
246P93Very high95.7Very high110 Ų11058.6 Ų58.671%0.71433%0.334SS*.THydrogen-bonded Turntrans-58.9-19.4-179.4-26.536.1000115.7I211 G248I211-P246 HydrophobicContact CD1-CG 3.77Å; I211-P246 HydrophobicContact CG1-CG 4.13Å; P246-G248 VanDerWaalsContact C-N 3.32Å
247D93.2Very high95.9Very high120 Ų12057.8 Ų57.864%0.64232%0.324SS*.THydrogen-bonded Turntrans-87.91.7174.8630.2000113.4L245 Q249L245-D247 WeakPolarHBondContact CB-OD1 3.39Å; L245-D247 PolarHBondContact O-N 3.24Å; D247-Q249 VanDerWaalsContact C-N 3.35Å; D247-Q249 VanDerWaalsContact OD1-CB 3.25Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.47Å; D247-Q249 PolarHBondContact OD1-N 3.21Å
248G94.4Very high96.2Very high41 Ų4153.8 Ų53.842%0.42330%0.296SS..SBendtrans85.8-1-177.300000114.3L245 P246 M250L245-G248 WeakPolarHBondContact O-CA 3.48Å; L245-G248 PolarHBondContact O-N 2.94Å; P246-G248 VanDerWaalsContact C-N 3.32Å; G248-M250 PolarHBondContact O-N 2.97Å
249Q95.1Very high96.4Very high104 Ų10452.2 Ų52.249%0.48628%0.279SS..  trans-70.6129.1176.5-179.5180-0.700110.6L245 D247L245-Q249 HydrophobicContact CB-CB 4.37Å; L245-Q249 WeakPolarHBondContact CB-O 3.17Å; L245-Q249 HydrophobicContact CD1-CB 4.16Å; L245-Q249 HydrophobicContact CD1-CG 4.38Å; L245-Q249 WeakPolarHBondContact CG-O 3.47Å; L245-Q249 PolarHBondContact N-O 2.93Å; D247-Q249 VanDerWaalsContact C-N 3.35Å; D247-Q249 VanDerWaalsContact OD1-CB 3.25Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.47Å; D247-Q249 PolarHBondContact OD1-N 3.21Å
250M96.8Very high96.6Very high103 Ų10351 Ų5151%0.50727%0.272SS..EExtended strand (participates in β ladder)trans-85.1128172.2-61.6-57.9-59.900110.8Y243 E244 G248Y243-M250 WeakPolarHBondContact O-CA 3.39Å; E244-M250 HydrophobicContact CB-CE 4.2Å; E244-M250 HydrophobicContact CB-SD 3.53Å; E244-M250 VanDerWaalsContact CB-SD 3.53Å; E244-M250 HydrophobicContact CG-SD 3.75Å; G248-M250 PolarHBondContact O-N 2.97Å
251I96.4Very high96.7Very high1 Ų147.2 Ų47.21%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-114.5155.5170.765.5167000110.9Y201 F203 I215 S242 Y243 L245 V253Y201-I251 HydrophobicContact CD1-CB 4.14Å; Y201-I251 HydrophobicContact CD1-CG2 3.69Å; Y201-I251 HydrophobicContact CD2-CB 4.41Å; Y201-I251 HydrophobicContact CE1-CB 3.8Å; Y201-I251 HydrophobicContact CE1-CG2 3.56Å; Y201-I251 HydrophobicContact CE2-CB 4.08Å; Y201-I251 HydrophobicContact CG-CB 4.43Å; Y201-I251 HydrophobicContact CG-CG2 4.31Å; F203-I251 HydrophobicContact CZ-CD1 4.05Å; I215-I251 HydrophobicContact CD1-CD1 3.85Å; S242-I251 CarbonylContact C-O 3.59Å; S242-I251 VanDerWaalsContact CA-O 3.26Å; S242-I251 WeakPolarHBondContact CA-O 3.35Å; Y243-I251 HydrophobicContact CD1-CD1 4.37Å; Y243-I251 HydrophobicContact CD1-CG1 4.28Å; Y243-I251 PolarHBondContact N-O 3.35Å; Y243-I251 PolarHBondContact O-N 2.87Å; L245-I251 HydrophobicContact CD1-CG2 3.64Å; L245-I251 HydrophobicContact CD2-CD1 4Å; L245-I251 HydrophobicContact CD2-CG1 4.4Å; L245-I251 HydrophobicContact CG-CD1 4.5Å; L245-I251 HydrophobicContact CG-CG1 4.43Å; L245-I251 HydrophobicContact CG-CG2 3.99Å; I251-V253 HydrophobicContact CD1-CG2 4.38Å
252T96.7Very high96.7Very high42 Ų4242.2 Ų42.226%0.25823%0.233SC..EExtended strand (participates in β ladder)trans-111.7114.8179.4-59.70000110.8Y201 E240Y201-T252 WeakPolarHBondContact CE2-O 3.49Å; Y201-T252 PolarHBondContact OH-N 2.67Å; E240-T252 HydrophobicContact CB-CG2 3.77Å; E240-T252 HydrophobicContact CG-CG2 4.15Å
253V97.4Very high96.8Very high0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-97.5119.8178.1-166.30000108.9L196 I215 L219 E240 K241 I251 D256 R257L196-V253 HydrophobicContact CD2-CG1 4.22Å; L196-V253 HydrophobicContact CD2-CG2 4.49Å; I215-V253 HydrophobicContact CG2-CG1 4.32Å; I215-V253 HydrophobicContact CG2-CG2 3.95Å; L219-V253 HydrophobicContact CD1-CB 4.14Å; L219-V253 HydrophobicContact CD1-CG2 3.88Å; E240-V253 WeakPolarHBondContact CA-O 3.5Å; K241-V253 PolarHBondContact N-O 3.12Å; K241-V253 PolarHBondContact O-N 3.29Å; I251-V253 HydrophobicContact CD1-CG2 4.38Å; V253-D256 HydrophobicContact CG1-CB 4.05Å; V253-R257 HydrophobicContact CB-CG 4.2Å; V253-R257 HydrophobicContact CG1-CG 3.64Å; V253-R257 WeakPolarHBondContact O-CD 3.43Å
254G96.2Very high96.8Very high3 Ų337.2 Ų37.23%0.03120%0.201CC..  trans-105.9-120.9-171.400000112.5D256 R257G254-D256 PolarHBondContact N-OD2 3.48Å; G254-D256 PolarHBondContact O-N 2.89Å; G254-D256 VanDerWaalsContact O-N 3.15Å; G254-R257 WeakPolarHBondContact O-CB 3.3Å; G254-R257 WeakPolarHBondContact O-CG 3.19Å; G254-R257 PolarHBondContact O-N 2.78Å
255N96.8Very high96.8Very high34 Ų3431.3 Ų31.318%0.18217%0.174CC..THydrogen-bonded Turntrans-64.3-15.5178.664.125.3000113.8M230 A233 R257 F258 R259M230-N255 HydrophobicContact SD-CB 4.28Å; A233-N255 HydrophobicContact CB-CB 3.91Å; N255-R257 PolarHBondContact O-N 3.25Å; N255-R257 VanDerWaalsContact O-N 3.1Å; N255-F258 HydrophobicContact CB-CE1 3.7Å; N255-F258 HydrophobicContact CB-CE2 4.31Å; N255-F258 HydrophobicContact CB-CZ 3.53Å; N255-F258 PolarHBondContact O-N 3.12Å; N255-F258 VanDerWaalsContact O-N 3.13Å; N255-R259 HydrophobicContact CB-CG 4.39Å; N255-R259 VanDerWaalsContact CG-CD 3.4Å; N255-R259 WeakPolarHBondContact O-CB 3.39Å; N255-R259 VanDerWaalsContact O-CG 3.24Å; N255-R259 WeakPolarHBondContact O-CG 3.48Å; N255-R259 PolarHBondContact O-N 3.38Å; N255-R259 WeakPolarHBondContact OD1-CD 3.46Å; N255-R259 PolarHBondContact OD1-NH1 3.31Å; N255-R259 VanDerWaalsContact OD1-NH1 3.11Å
256D96.7Very high96.9Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-53.6-31.3173.2-39.7-80.8000111.7L192 I195 L196 R199 V253 G254 F258 R259 C260L192-D256 HydrophobicContact CD1-CB 3.82Å; I195-D256 HydrophobicContact CD1-CB 3.78Å; I195-D256 HydrophobicContact CG1-CB 4.06Å; L196-D256 HydrophobicContact CD2-CB 4.5Å; R199-D256 VanDerWaalsContact CD-CG 3.49Å; R199-D256 WeakPolarHBondContact CD-OD1 3.48Å; R199-D256 WeakPolarHBondContact CD-OD2 3.31Å; R199-D256 IonicContact NE-OD2 3.69Å; V253-D256 HydrophobicContact CG1-CB 4.05Å; G254-D256 PolarHBondContact N-OD2 3.48Å; G254-D256 PolarHBondContact O-N 2.89Å; G254-D256 VanDerWaalsContact O-N 3.15Å; D256-F258 VanDerWaalsContact C-N 3.3Å; D256-F258 PolarHBondContact O-N 3.07Å; D256-R259 IonicContact OD1-NH1 3.85Å; D256-C260 VanDerWaalsContact O-CB 3.22Å; D256-C260 WeakPolarHBondContact O-CB 3.2Å; D256-C260 PolarHBondContact O-N 2.76Å
257R98.2Very high97.2Very high31 Ų3129.5 Ų29.512%0.11715%0.152CC..Hα-helixtrans-56-41.3178.7-64.2177.765.7-138.4-10.1112.6L219 C220 Y221 L239 K241 V253 G254 N255 P261L219-R257 HydrophobicContact CB-CG 4.33Å; L219-R257 VanDerWaalsContact O-CZ 3.3Å; L219-R257 PolarHBondContact O-NE 3.11Å; L219-R257 PolarHBondContact O-NH2 3Å; C220-R257 CarbonylContact C-O 3.59Å; C220-R257 WeakPolarHBondContact CA-O 3.28Å; C220-R257 WeakPolarHBondContact CB-O 3.46Å; C220-R257 PolarHBondContact SG-O 3.12Å; C220-R257 VanDerWaalsContact SG-O 3.4Å; Y221-R257 HydrophobicContact CD1-CB 4.06Å; Y221-R257 HydrophobicContact CE1-CB 3.83Å; Y221-R257 PolarHBondContact N-O 3.04Å; L239-R257 PolarHBondContact O-NH1 3.32Å; K241-R257 VanDerWaalsContact CG-NH1 3.34Å; V253-R257 HydrophobicContact CB-CG 4.2Å; V253-R257 HydrophobicContact CG1-CG 3.64Å; V253-R257 WeakPolarHBondContact O-CD 3.43Å; G254-R257 WeakPolarHBondContact O-CB 3.3Å; G254-R257 WeakPolarHBondContact O-CG 3.19Å; G254-R257 PolarHBondContact O-N 2.78Å; N255-R257 PolarHBondContact O-N 3.25Å; N255-R257 VanDerWaalsContact O-N 3.1Å; R257-P261 VanDerWaalsContact O-CD 3.31Å; R257-P261 WeakPolarHBondContact O-CD 3.45Å
258F98.3Very high97.4Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-107.1-20.3178.663.5-95.9000113.9Y221 A223 F226 E229 M230 A233 L239 N255 D256 E262Y221-F258 HydrophobicContact CD2-CB 4.42Å; Y221-F258 HydrophobicContact CE1-CB 4.3Å; Y221-F258 HydrophobicContact CE1-CD1 4.31Å; Y221-F258 HydrophobicContact CE2-CB 4.07Å; Y221-F258 AromaticContact CZ-CD1 3.88Å; Y221-F258 VanDerWaalsContact O-CA 3.23Å; Y221-F258 WeakPolarHBondContact O-CA 3.29Å; Y221-F258 WeakPolarHBondContact O-CB 3.41Å; Y221-F258 WeakPolarHBondContact OH-CD1 3.47Å; A223-F258 HydrophobicContact CB-CB 4.11Å; A223-F258 HydrophobicContact CB-CD2 4.32Å; A223-F258 HydrophobicContact CB-CG 4.39Å; F226-F258 AromaticContact CD2-CD2 3.96Å; F226-F258 HydrophobicContact CD2-CD2 3.96Å; F226-F258 HydrophobicContact CD2-CE2 4.31Å; F226-F258 AromaticContact CE2-CD2 3.89Å; F226-F258 HydrophobicContact CE2-CD2 3.89Å; F226-F258 HydrophobicContact CE2-CE2 4.07Å; E229-F258 HydrophobicContact CB-CD2 4.22Å; E229-F258 HydrophobicContact CB-CE1 4.47Å; E229-F258 HydrophobicContact CB-CE2 3.97Å; E229-F258 HydrophobicContact CB-CZ 4.1Å; E229-F258 HydrophobicContact CG-CD1 3.7Å; E229-F258 HydrophobicContact CG-CD2 4Å; E229-F258 HydrophobicContact CG-CE1 3.62Å; E229-F258 HydrophobicContact CG-CE2 3.95Å; E229-F258 HydrophobicContact CG-CG 3.89Å; E229-F258 HydrophobicContact CG-CZ 3.75Å; M230-F258 HydrophobicContact CB-CE2 4.31Å; M230-F258 HydrophobicContact SD-CE2 4.48Å; M230-F258 HydrophobicContact SD-CZ 4.5Å; A233-F258 HydrophobicContact CB-CE1 4.04Å; A233-F258 HydrophobicContact CB-CZ 3.88Å; L239-F258 HydrophobicContact CD1-CE1 4.05Å; N255-F258 HydrophobicContact CB-CE1 3.7Å; N255-F258 HydrophobicContact CB-CE2 4.31Å; N255-F258 HydrophobicContact CB-CZ 3.53Å; N255-F258 PolarHBondContact O-N 3.12Å; N255-F258 VanDerWaalsContact O-N 3.13Å; D256-F258 VanDerWaalsContact C-N 3.3Å; D256-F258 PolarHBondContact O-N 3.07Å; F258-E262 WeakPolarHBondContact O-CB 3.32Å; F258-E262 PolarHBondContact O-N 3.01Å
259R97.7Very high97.3Very high45 Ų4528.8 Ų28.817%0.1714%0.142CC..Hα-helixtrans-65.7-41.3170.9-71.9170.270.1-157.4-3112.6Y191 I195 E198 F226 M230 N255 D256 E262Y191-R259 WeakPolarHBondContact CE1-O 3.47Å; I195-R259 HydrophobicContact CD1-CB 4.3Å; E198-R259 IonicContact OE2-NH2 3.1Å; F226-R259 HydrophobicContact CE2-CB 4.5Å; F226-R259 HydrophobicContact CE2-CG 3.95Å; F226-R259 HydrophobicContact CZ-CG 4.08Å; M230-R259 HydrophobicContact CE-CG 3.82Å; N255-R259 HydrophobicContact CB-CG 4.39Å; N255-R259 VanDerWaalsContact CG-CD 3.4Å; N255-R259 WeakPolarHBondContact O-CB 3.39Å; N255-R259 VanDerWaalsContact O-CG 3.24Å; N255-R259 WeakPolarHBondContact O-CG 3.48Å; N255-R259 PolarHBondContact O-N 3.38Å; N255-R259 WeakPolarHBondContact OD1-CD 3.46Å; N255-R259 PolarHBondContact OD1-NH1 3.31Å; N255-R259 VanDerWaalsContact OD1-NH1 3.11Å; D256-R259 IonicContact OD1-NH1 3.85Å; R259-E262 WeakPolarHBondContact O-CB 3.49Å; R259-E262 PolarHBondContact O-N 3.44Å
260C98.5Very high97.3Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-56-61.3179.7168.90000112L188 Y191 L192 I195 D256 E262 A263L188-C260 WeakPolarHBondContact CD2-O 3.48Å; L188-C260 PolarHBondContact O-SG 3.16Å; Y191-C260 HydrophobicContact CD1-CB 4.47Å; L192-C260 HydrophobicContact CB-CB 4.26Å; L192-C260 HydrophobicContact CD1-CB 4.01Å; I195-C260 HydrophobicContact CD1-CB 4.22Å; D256-C260 VanDerWaalsContact O-CB 3.22Å; D256-C260 WeakPolarHBondContact O-CB 3.2Å; D256-C260 PolarHBondContact O-N 2.76Å; C260-E262 PolarHBondContact O-N 2.92Å; C260-A263 WeakPolarHBondContact O-CB 3.33Å; C260-A263 PolarHBondContact O-N 3.07Å
261P98.4Very high97.2Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-71.4-14.6-17830-37000113.7C220 Y221 V222 R257 A263 L264 F309C220-P261 HydrophobicContact CB-CG 4.38Å; Y221-P261 WeakPolarHBondContact O-CG 3.44Å; V222-P261 HydrophobicContact CG2-CB 3.86Å; V222-P261 HydrophobicContact CG2-CG 4.22Å; R257-P261 VanDerWaalsContact O-CD 3.31Å; R257-P261 WeakPolarHBondContact O-CD 3.45Å; P261-A263 PolarHBondContact O-N 3.14Å; P261-L264 WeakPolarHBondContact O-CB 3.33Å; P261-L264 PolarHBondContact O-N 2.88Å; P261-L264 VanDerWaalsContact O-N 3.09Å; P261-F309 HydrophobicContact CB-CD1 4.26Å; P261-F309 HydrophobicContact CB-CD2 3.85Å; P261-F309 HydrophobicContact CB-CE1 4.3Å; P261-F309 HydrophobicContact CB-CE2 3.91Å; P261-F309 HydrophobicContact CB-CG 4.05Å; P261-F309 HydrophobicContact CB-CZ 4.13Å
262E98.6Very high97.2Very high0 Ų027.2 Ų27.20%015%0.154CC..Hα-helixtrans-57.5-28.1171.2-17463.5-16300111.7F226 F258 R259 C260 L264 F265 R266 F269 R315F226-E262 HydrophobicContact CB-CG 4.5Å; F226-E262 HydrophobicContact CD1-CG 4.46Å; F226-E262 HydrophobicContact CD2-CB 3.76Å; F226-E262 HydrophobicContact CD2-CG 3.44Å; F226-E262 VanDerWaalsContact CD2-CG 3.44Å; F226-E262 HydrophobicContact CE2-CB 3.77Å; F226-E262 HydrophobicContact CE2-CG 3.68Å; F226-E262 HydrophobicContact CG-CG 3.87Å; F226-E262 HydrophobicContact CZ-CG 4.27Å; F258-E262 WeakPolarHBondContact O-CB 3.32Å; F258-E262 PolarHBondContact O-N 3.01Å; R259-E262 WeakPolarHBondContact O-CB 3.49Å; R259-E262 PolarHBondContact O-N 3.44Å; C260-E262 PolarHBondContact O-N 2.92Å; E262-L264 PolarHBondContact O-N 3.36Å; E262-L264 VanDerWaalsContact O-N 3.1Å; E262-F265 CarbonylContact O-C 3.21Å; E262-F265 WeakPolarHBondContact O-CA 3.45Å; E262-F265 PolarHBondContact O-N 2.81Å; E262-R266 HydrophobicContact CG-CB 4.45Å; E262-R266 HydrophobicContact CG-CG 4.38Å; E262-R266 PolarHBondContact O-N 3.43Å; E262-R266 WeakPolarHBondContact OE1-CD 3.46Å; E262-R266 IonicContact OE1-CZ 3.22Å; E262-R266 IonicContact OE1-NE 3.39Å; E262-R266 PolarHBondContact OE1-NE 3.17Å; E262-F269 HydrophobicContact CB-CD2 4.33Å; E262-F269 HydrophobicContact CB-CE2 4.05Å; E262-F269 HydrophobicContact CG-CD2 4.29Å; E262-F269 HydrophobicContact CG-CE2 3.73Å; E262-F269 HydrophobicContact CG-CZ 4.28Å; E262-R315 IonicContact OE1-CZ 2.74Å; E262-R315 IonicContact OE1-NH1 3.22Å; E262-R315 IonicContact OE1-NH2 2.81Å; E262-R315 PolarHBondContact OE1-NH2 3.49Å; E262-R315 IonicContact OE2-CZ 2.83Å; E262-R315 IonicContact OE2-NH1 3.17Å; E262-R315 PolarHBondContact OE2-NH1 2.84Å; E262-R315 IonicContact OE2-NH2 3.42Å; E262-R315 PolarHBondContact OE2-NH2 3.49Å
263A98.2Very high97.1Very high0 Ų035 Ų350%019%0.187CC..THydrogen-bonded Turntrans-58.2-25.517700000113.2L183 L188 Y191 C260 P261 F265 R266 P267 F269 L270L183-A263 WeakPolarHBondContact CD2-O 3.01Å; L188-A263 HydrophobicContact CD2-CB 3.82Å; Y191-A263 HydrophobicContact CD1-CB 4.13Å; Y191-A263 HydrophobicContact CE1-CB 4.27Å; C260-A263 WeakPolarHBondContact O-CB 3.33Å; C260-A263 PolarHBondContact O-N 3.07Å; P261-A263 PolarHBondContact O-N 3.14Å; A263-F265 VanDerWaalsContact C-N 3.26Å; A263-F265 PolarHBondContact O-N 3.39Å; A263-R266 CarbonylContact O-C 3.53Å; A263-R266 VanDerWaalsContact O-C 3.29Å; A263-P267 VanDerWaalsContact O-CA 3.28Å; A263-P267 WeakPolarHBondContact O-CA 3.12Å; A263-P267 VanDerWaalsContact O-N 3.12Å; A263-F269 HydrophobicContact CB-CB 4.26Å; A263-L270 HydrophobicContact CB-CD1 3.81Å; A263-L270 HydrophobicContact CB-CG 4.06Å
264L98.6Very high97Very high0 Ų037.4 Ų37.40%020%0.204CC..THydrogen-bonded Turntrans-64.8-31.2171.9-67.3171.9000112.5L183 L188 P261 E262 G276 I277 F309 I312L183-L264 HydrophobicContact CG-CD2 4.26Å; L188-L264 HydrophobicContact CD1-CD1 3.92Å; L188-L264 HydrophobicContact CD1-CD2 4.13Å; L188-L264 HydrophobicContact CD1-CG 3.89Å; L188-L264 HydrophobicContact CD2-CG 4.31Å; P261-L264 WeakPolarHBondContact O-CB 3.33Å; P261-L264 PolarHBondContact O-N 2.88Å; P261-L264 VanDerWaalsContact O-N 3.09Å; E262-L264 PolarHBondContact O-N 3.36Å; E262-L264 VanDerWaalsContact O-N 3.1Å; L264-G276 CarbonylContact O-C 3.55Å; L264-G276 WeakPolarHBondContact O-CA 3.08Å; L264-I277 HydrophobicContact CB-CD1 3.93Å; L264-I277 HydrophobicContact CB-CG1 4.22Å; L264-I277 HydrophobicContact CB-CG2 4.33Å; L264-I277 HydrophobicContact CD1-CD1 4.45Å; L264-I277 HydrophobicContact CD2-CG2 4.4Å; L264-I277 PolarHBondContact O-N 2.93Å; L264-F309 HydrophobicContact CD1-CD2 4.31Å; L264-F309 HydrophobicContact CD1-CE2 4.24Å; L264-I312 HydrophobicContact CD1-CD1 4.45Å
265F98.6Very high97.1Very high5 Ų539.6 Ų39.62%0.02222%0.218CC..THydrogen-bonded Turntrans-93.3-33.2178-63.6-93.4000111.5V222 E262 A263 G276 I277 H278 I312 R315 M316 E319V222-F265 HydrophobicContact CG1-CD2 4.38Å; V222-F265 HydrophobicContact CG1-CE2 3.63Å; V222-F265 HydrophobicContact CG1-CZ 4.1Å; V222-F265 HydrophobicContact CG2-CE2 4.08Å; E262-F265 CarbonylContact O-C 3.21Å; E262-F265 WeakPolarHBondContact O-CA 3.45Å; E262-F265 PolarHBondContact O-N 2.81Å; A263-F265 VanDerWaalsContact C-N 3.26Å; A263-F265 PolarHBondContact O-N 3.39Å; F265-G276 WeakPolarHBondContact O-CA 3.41Å; F265-I277 HydrophobicContact CD1-CG1 4.35Å; F265-I277 HydrophobicContact CE1-CD1 4.21Å; F265-I277 HydrophobicContact CE1-CG1 4.17Å; F265-I277 HydrophobicContact CE2-CD1 4.07Å; F265-I277 HydrophobicContact CZ-CD1 3.85Å; F265-I277 HydrophobicContact CZ-CG1 4.3Å; F265-H278 HydrophobicContact CD1-CB 4.2Å; F265-H278 AromaticContact CD1-CG 3.92Å; F265-H278 AromaticContact CD1-ND1 3.45Å; F265-H278 WeakPolarHBondContact CD1-ND1 3.36Å; F265-H278 HydrophobicContact CE1-CB 4.28Å; F265-H278 PolarHBondContact O-CE1 3.38Å; F265-H278 VanDerWaalsContact O-CE1 3.23Å; F265-I312 HydrophobicContact CE2-CG1 4.27Å; F265-I312 HydrophobicContact CZ-CG1 4Å; F265-R315 HydrophobicContact CD1-CG 4.02Å; F265-R315 HydrophobicContact CD2-CG 4.5Å; F265-R315 HydrophobicContact CE1-CB 4.31Å; F265-R315 HydrophobicContact CE1-CG 3.5Å; F265-R315 VanDerWaalsContact CE1-CG 3.5Å; F265-R315 HydrophobicContact CE2-CG 4.03Å; F265-R315 HydrophobicContact CZ-CB 4Å; F265-R315 HydrophobicContact CZ-CG 3.5Å; F265-R315 VanDerWaalsContact CZ-CG 3.5Å; F265-M316 HydrophobicContact CE1-CG 4.24Å; F265-M316 HydrophobicContact CE1-SD 3.79Å; F265-M316 HydrophobicContact CZ-CG 4.2Å; F265-M316 HydrophobicContact CZ-SD 4.19Å; F265-E319 HydrophobicContact CD1-CG 4.28Å; F265-E319 HydrophobicContact CE1-CG 4.41Å
266R97.8Very high97.1Very high87 Ų8738 Ų3833%0.32821%0.21SC..  trans-125.777.5179-61.6-179-177.6-178.62.2110.2D227 E262 A263 S268 F269D227-R266 IonicContact OD1-NH1 3.59Å; D227-R266 IonicContact OD2-CZ 2.92Å; D227-R266 IonicContact OD2-NH1 2.86Å; D227-R266 IonicContact OD2-NH2 3.34Å; D227-R266 PolarHBondContact OD2-NH2 3.46Å; D227-R266 VanDerWaalsContact OD2-NH2 3.15Å; E262-R266 HydrophobicContact CG-CB 4.45Å; E262-R266 HydrophobicContact CG-CG 4.38Å; E262-R266 PolarHBondContact O-N 3.43Å; E262-R266 WeakPolarHBondContact OE1-CD 3.46Å; E262-R266 IonicContact OE1-CZ 3.22Å; E262-R266 IonicContact OE1-NE 3.39Å; E262-R266 PolarHBondContact OE1-NE 3.17Å; A263-R266 CarbonylContact O-C 3.53Å; A263-R266 VanDerWaalsContact O-C 3.29Å; R266-S268 PolarHBondContact O-N 3.34Å; R266-F269 HydrophobicContact CB-CD1 4.3Å; R266-F269 HydrophobicContact CB-CE1 4.38Å; R266-F269 WeakPolarHBondContact O-CB 3.26Å; R266-F269 PolarHBondContact O-N 3.35Å
267P98.1Very high97.2Very high4 Ų438.1 Ų38.13%0.02621%0.211CC..G310 helixtrans-57.8-18.4-178.5-27.737000114.8L183 A263 F269 L270 G271 M272 C274L183-P267 HydrophobicContact CD2-CB 3.93Å; L183-P267 HydrophobicContact CD2-CG 3.84Å; A263-P267 VanDerWaalsContact O-CA 3.28Å; A263-P267 WeakPolarHBondContact O-CA 3.12Å; A263-P267 VanDerWaalsContact O-N 3.12Å; P267-F269 PolarHBondContact O-N 3.02Å; P267-F269 VanDerWaalsContact O-N 3.12Å; P267-L270 WeakPolarHBondContact O-CA 3.25Å; P267-L270 WeakPolarHBondContact O-CB 3.32Å; P267-L270 PolarHBondContact O-N 3.12Å; P267-G271 PolarHBondContact O-N 2.96Å; P267-M272 CarbonylContact C-O 3.53Å; P267-M272 HydrophobicContact CB-CB 3.87Å; P267-M272 PolarHBondContact O-N 3.5Å; P267-M272 VanDerWaalsContact O-N 3.16Å; P267-C274 WeakPolarHBondContact CB-SG 3.43Å; P267-C274 WeakPolarHBondContact CG-O 3.42Å
268S96.9Very high97.2Very high83 Ų8337.4 Ų37.458%0.5821%0.209SC*.G310 helixtrans-57.4-22.9172.160.10000113.8R266 L270 G271 M272R266-S268 PolarHBondContact O-N 3.34Å; S268-L270 PolarHBondContact O-N 2.94Å; S268-G271 PolarHBondContact O-N 3.37Å; S268-M272 PolarHBondContact N-O 3Å
269F93.8Very high97.2Very high62 Ų6241 Ų4127%0.27223%0.225SC..G310 helixtrans-63.3-24.9172.6-78.817.5000112.9Y191 F226 E262 A263 R266 P267Y191-F269 HydrophobicContact CE1-CB 4.38Å; Y191-F269 HydrophobicContact CE1-CD2 4.46Å; F226-F269 HydrophobicContact CE1-CE2 4.12Å; F226-F269 AromaticContact CE1-CZ 3.77Å; F226-F269 HydrophobicContact CE1-CZ 3.77Å; F226-F269 HydrophobicContact CE2-CE2 4.03Å; F226-F269 AromaticContact CZ-CE2 3.54Å; F226-F269 HydrophobicContact CZ-CE2 3.54Å; F226-F269 AromaticContact CZ-CZ 3.68Å; F226-F269 HydrophobicContact CZ-CZ 3.68Å; E262-F269 HydrophobicContact CB-CD2 4.33Å; E262-F269 HydrophobicContact CB-CE2 4.05Å; E262-F269 HydrophobicContact CG-CD2 4.29Å; E262-F269 HydrophobicContact CG-CE2 3.73Å; E262-F269 HydrophobicContact CG-CZ 4.28Å; A263-F269 HydrophobicContact CB-CB 4.26Å; R266-F269 HydrophobicContact CB-CD1 4.3Å; R266-F269 HydrophobicContact CB-CE1 4.38Å; R266-F269 WeakPolarHBondContact O-CB 3.26Å; R266-F269 PolarHBondContact O-N 3.35Å; P267-F269 PolarHBondContact O-N 3.02Å; P267-F269 VanDerWaalsContact O-N 3.12Å
270L95.4Very high97.3Very high54 Ų5439.6 Ų39.628%0.28322%0.222SC..G310 helixtrans-95.51.8173.3-77.2168.4000112.8L183 D187 Y191 A263 P267 S268 M272L183-L270 HydrophobicContact CD1-CD1 3.22Å; L183-L270 HydrophobicContact CD2-CD1 4.48Å; L183-L270 HydrophobicContact CG-CD1 4.47Å; D187-L270 HydrophobicContact CB-CD1 4.21Å; Y191-L270 HydrophobicContact CD2-CD2 3.91Å; Y191-L270 HydrophobicContact CG-CD2 3.77Å; Y191-L270 HydrophobicContact CG-CG 4.37Å; A263-L270 HydrophobicContact CB-CD1 3.81Å; A263-L270 HydrophobicContact CB-CG 4.06Å; P267-L270 WeakPolarHBondContact O-CA 3.25Å; P267-L270 WeakPolarHBondContact O-CB 3.32Å; P267-L270 PolarHBondContact O-N 3.12Å; S268-L270 PolarHBondContact O-N 2.94Å; L270-M272 VanDerWaalsContact C-N 3.29Å; L270-M272 HydrophobicContact CB-CG 3.95Å; L270-M272 HydrophobicContact CB-SD 4.11Å; L270-M272 HydrophobicContact CD1-SD 4.26Å
271G95Very high97.3Very high67 Ų6739.6 Ų39.669%0.69122%0.222SC*.THydrogen-bonded Turntrans74.518.4-172.700000113.6P267 S268P267-G271 PolarHBondContact O-N 2.96Å; S268-G271 PolarHBondContact O-N 3.37Å
272M95.9Very high97.3Very high55 Ų5542.5 Ų42.527%0.27123%0.233SC..  trans-91.7131.8178.6-56.1175.87500110.7D182 L183 P267 S268 L270 C274D182-M272 WeakPolarHBondContact O-CE 3.41Å; L183-M272 HydrophobicContact CB-CE 4.08Å; L183-M272 HydrophobicContact CB-SD 4.17Å; L183-M272 HydrophobicContact CD1-SD 4.07Å; L183-M272 HydrophobicContact CD2-SD 4.26Å; L183-M272 HydrophobicContact CG-SD 4.39Å; P267-M272 CarbonylContact C-O 3.53Å; P267-M272 HydrophobicContact CB-CB 3.87Å; P267-M272 PolarHBondContact O-N 3.5Å; P267-M272 VanDerWaalsContact O-N 3.16Å; S268-M272 PolarHBondContact N-O 3Å; L270-M272 VanDerWaalsContact C-N 3.29Å; L270-M272 HydrophobicContact CB-CG 3.95Å; L270-M272 HydrophobicContact CB-SD 4.11Å; L270-M272 HydrophobicContact CD1-SD 4.26Å; M272-C274 VanDerWaalsContact C-N 3.34Å; M272-C274 PolarHBondContact O-N 3.14Å
273E94.5Very high97.3Very high205 Ų20544.6 Ų44.696%0.95825%0.248SC*.  trans-92.263.9175-64.3-172.2168.500110.8
274C95.4Very high97.3Very high51 Ų5144.6 Ų44.635%0.34525%0.248SC..SBendtrans-141.7162.2178.358.10000111.7L181 P267 M272L181-C274 HydrophobicContact CD1-CB 3.99Å; L181-C274 VanDerWaalsContact CD1-SG 3.52Å; P267-C274 WeakPolarHBondContact CB-SG 3.43Å; P267-C274 WeakPolarHBondContact CG-O 3.42Å; M272-C274 VanDerWaalsContact C-N 3.34Å; M272-C274 PolarHBondContact O-N 3.14Å
275S97Very high97.3Very high48 Ų4844.6 Ų44.634%0.33625%0.248SC..  trans-69.7146.7175.6-80.90000112.1E279 T280S275-E279 WeakPolarHBondContact CA-OE2 3.49Å; S275-E279 WeakPolarHBondContact CB-OE2 3.49Å; S275-E279 PolarHBondContact OG-OE2 3.01Å; S275-T280 PolarHBondContact O-OG1 3Å
276G98.3Very high97.2Very high1 Ų146.8 Ų46.81%0.0126%0.259CS..  trans-72.5167.5171.400000112.7L264 F265 H278 E279 T280L264-G276 CarbonylContact O-C 3.55Å; L264-G276 WeakPolarHBondContact O-CA 3.08Å; F265-G276 WeakPolarHBondContact O-CA 3.41Å; G276-H278 PolarHBondContact O-N 3.44Å; G276-H278 VanDerWaalsContact O-N 3.08Å; G276-E279 PolarHBondContact O-N 2.81Å; G276-E279 VanDerWaalsContact O-N 3.12Å; G276-T280 PolarHBondContact O-N 2.73Å; G276-T280 PolarHBondContact O-OG1 3.33Å
277I98.5Very high97.3Very high3 Ų347.9 Ų47.92%0.01527%0.266CS..Hα-helixtrans-55.6-32.2-174.757.9172.2000114.3L156 L181 L264 F265 T281 I312 M316L156-I277 HydrophobicContact CD1-CB 4.12Å; L156-I277 HydrophobicContact CD1-CG2 4.31Å; L156-I277 HydrophobicContact CD2-CB 4.06Å; L156-I277 HydrophobicContact CD2-CD1 4.02Å; L156-I277 HydrophobicContact CD2-CG1 4.37Å; L181-I277 HydrophobicContact CD2-CG2 4.2Å; L264-I277 HydrophobicContact CB-CD1 3.93Å; L264-I277 HydrophobicContact CB-CG1 4.22Å; L264-I277 HydrophobicContact CB-CG2 4.33Å; L264-I277 HydrophobicContact CD1-CD1 4.45Å; L264-I277 HydrophobicContact CD2-CG2 4.4Å; L264-I277 PolarHBondContact O-N 2.93Å; F265-I277 HydrophobicContact CD1-CG1 4.35Å; F265-I277 HydrophobicContact CE1-CD1 4.21Å; F265-I277 HydrophobicContact CE1-CG1 4.17Å; F265-I277 HydrophobicContact CE2-CD1 4.07Å; F265-I277 HydrophobicContact CZ-CD1 3.85Å; F265-I277 HydrophobicContact CZ-CG1 4.3Å; I277-T281 VanDerWaalsContact O-CB 3.3Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 2.87Å; I277-T281 PolarHBondContact O-OG1 3.36Å; I277-I312 HydrophobicContact CD1-CD1 4.11Å; I277-M316 HydrophobicContact CD1-SD 3.96Å; I277-M316 HydrophobicContact CG1-SD 3.96Å
278H98.5Very high97.3Very high16 Ų1647.8 Ų47.87%0.07427%0.265CS..Hα-helixtrans-70.6-49.5178.662.3-66.4000111.5F265 G276 T281 Y282 M316 E319 I320F265-H278 HydrophobicContact CD1-CB 4.2Å; F265-H278 AromaticContact CD1-CG 3.92Å; F265-H278 AromaticContact CD1-ND1 3.45Å; F265-H278 WeakPolarHBondContact CD1-ND1 3.36Å; F265-H278 HydrophobicContact CE1-CB 4.28Å; F265-H278 PolarHBondContact O-CE1 3.38Å; F265-H278 VanDerWaalsContact O-CE1 3.23Å; G276-H278 PolarHBondContact O-N 3.44Å; G276-H278 VanDerWaalsContact O-N 3.08Å; H278-T281 PolarHBondContact O-N 3.34Å; H278-Y282 WeakPolarHBondContact O-CB 3.25Å; H278-Y282 PolarHBondContact O-N 2.78Å; H278-M316 HydrophobicContact CB-CE 4.42Å; H278-M316 HydrophobicContact CB-SD 3.88Å; H278-E319 HydrophobicContact CB-CB 3.71Å; H278-E319 HydrophobicContact CB-CG 4.32Å; H278-I320 HydrophobicContact CB-CD1 4.39Å; H278-I320 WeakPolarHBondContact O-CD1 3.32Å
279E98.4Very high97.3Very high75 Ų7549.4 Ų49.435%0.3527%0.267SS..Hα-helixtrans-62.3-43.9172.4-75.3174.8173.400111.3S275 G276 T281 Y282 S283 L323S275-E279 WeakPolarHBondContact CA-OE2 3.49Å; S275-E279 WeakPolarHBondContact CB-OE2 3.49Å; S275-E279 PolarHBondContact OG-OE2 3.01Å; G276-E279 PolarHBondContact O-N 2.81Å; G276-E279 VanDerWaalsContact O-N 3.12Å; E279-T281 VanDerWaalsContact C-N 3.3Å; E279-T281 PolarHBondContact O-N 2.89Å; E279-Y282 WeakPolarHBondContact O-CB 3.34Å; E279-Y282 PolarHBondContact O-N 2.88Å; E279-S283 WeakPolarHBondContact O-CB 2.89Å; E279-S283 PolarHBondContact O-N 2.86Å; E279-S283 PolarHBondContact O-OG 2.79Å; E279-S283 VanDerWaalsContact O-OG 3.07Å; E279-L323 HydrophobicContact CG-CD1 4.16Å
280T98.5Very high97.4Very high15 Ų1551 Ų519%0.09228%0.282CS..Hα-helixtrans-61.3-38.6176.3-54.10000111.8T165 L179 S275 G276 S284T165-T280 HydrophobicContact CG2-CG2 4Å; T165-T280 PolarHBondContact OG1-O 3.26Å; L179-T280 HydrophobicContact CB-CG2 3.62Å; L179-T280 HydrophobicContact CD1-CG2 3.96Å; L179-T280 WeakPolarHBondContact CD1-O 3.3Å; L179-T280 HydrophobicContact CG-CG2 4.44Å; S275-T280 PolarHBondContact O-OG1 3Å; G276-T280 PolarHBondContact O-N 2.73Å; G276-T280 PolarHBondContact O-OG1 3.33Å; T280-S284 WeakPolarHBondContact O-CB 3.34Å; T280-S284 PolarHBondContact O-N 3.27Å
281T98.7Very high97.4Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-66-47.2174.8-58.90000110.5I154 T165 I277 H278 E279 S283 S284 I285 I300 M316 I320I154-T281 HydrophobicContact CD1-CG2 4.04Å; I154-T281 HydrophobicContact CG2-CG2 4.37Å; T165-T281 WeakPolarHBondContact CG2-OG1 3.48Å; I277-T281 VanDerWaalsContact O-CB 3.3Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 2.87Å; I277-T281 PolarHBondContact O-OG1 3.36Å; H278-T281 PolarHBondContact O-N 3.34Å; E279-T281 VanDerWaalsContact C-N 3.3Å; E279-T281 PolarHBondContact O-N 2.89Å; T281-S283 PolarHBondContact O-N 3.03Å; T281-S284 WeakPolarHBondContact O-CB 3.49Å; T281-S284 PolarHBondContact O-N 3.13Å; T281-I285 HydrophobicContact CG2-CD1 4.44Å; T281-I285 WeakPolarHBondContact O-CG1 3.27Å; T281-I285 PolarHBondContact O-N 3.02Å; T281-I285 VanDerWaalsContact O-N 3.12Å; T281-I300 HydrophobicContact CG2-CD1 4.45Å; T281-I300 HydrophobicContact CG2-CG2 4.14Å; T281-M316 HydrophobicContact CG2-CE 4.48Å; T281-I320 HydrophobicContact CG2-CD1 4.29Å
282Y98.4Very high97.5Very high61 Ų6153.2 Ų53.224%0.23928%0.278CS..Hα-helixtrans-58.3-47.6176.1169.4-96.6000112.4H278 E279 S284 I285 M286 Y297 L323H278-Y282 WeakPolarHBondContact O-CB 3.25Å; H278-Y282 PolarHBondContact O-N 2.78Å; E279-Y282 WeakPolarHBondContact O-CB 3.34Å; E279-Y282 PolarHBondContact O-N 2.88Å; Y282-S284 VanDerWaalsContact C-N 3.3Å; Y282-S284 PolarHBondContact O-N 3.06Å; Y282-I285 PolarHBondContact O-N 3.34Å; Y282-M286 HydrophobicContact CD1-CG 4.23Å; Y282-M286 HydrophobicContact CD2-CE 4.46Å; Y282-M286 HydrophobicContact CD2-CG 4.37Å; Y282-M286 HydrophobicContact CE1-CG 3.73Å; Y282-M286 HydrophobicContact CE2-CE 3.62Å; Y282-M286 HydrophobicContact CE2-CG 3.87Å; Y282-M286 HydrophobicContact CE2-SD 4.39Å; Y282-M286 WeakPolarHBondContact O-CG 3.31Å; Y282-M286 PolarHBondContact O-N 3.4Å; Y282-Y297 WeakPolarHBondContact CD2-OH 3.5Å; Y282-Y297 WeakPolarHBondContact CE2-OH 3.49Å; Y282-L323 HydrophobicContact CD2-CB 3.67Å; Y282-L323 HydrophobicContact CE2-CB 4.04Å; Y282-L323 WeakPolarHBondContact CE2-O 3.36Å; Y282-L323 HydrophobicContact CG-CB 3.93Å; Y282-L323 HydrophobicContact CG-CD1 4.14Å
283S98.5Very high97.6Very high45 Ų4553 Ų5332%0.31527%0.274SS..Hα-helixtrans-61.9-37.6178.7-65.60000112.2E279 T281 M286 K287E279-S283 WeakPolarHBondContact O-CB 2.89Å; E279-S283 PolarHBondContact O-N 2.86Å; E279-S283 PolarHBondContact O-OG 2.79Å; E279-S283 VanDerWaalsContact O-OG 3.07Å; T281-S283 PolarHBondContact O-N 3.03Å; S283-M286 PolarHBondContact O-N 3.3Å; S283-K287 WeakPolarHBondContact O-CG 3.45Å; S283-K287 PolarHBondContact O-N 2.92Å
284S98.5Very high97.7Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-63.1-44.8175176.30000111.6I154 T165 P167 A177 T280 T281 Y282 M286 K287 C288I154-S284 WeakPolarHBondContact CD1-OG 3.38Å; T165-S284 WeakPolarHBondContact OG1-CB 3.43Å; P167-S284 WeakPolarHBondContact CD-OG 3.41Å; P167-S284 WeakPolarHBondContact CG-OG 3.39Å; A177-S284 WeakPolarHBondContact O-CB 3.24Å; A177-S284 PolarHBondContact O-OG 3.16Å; T280-S284 WeakPolarHBondContact O-CB 3.34Å; T280-S284 PolarHBondContact O-N 3.27Å; T281-S284 WeakPolarHBondContact O-CB 3.49Å; T281-S284 PolarHBondContact O-N 3.13Å; Y282-S284 VanDerWaalsContact C-N 3.3Å; Y282-S284 PolarHBondContact O-N 3.06Å; S284-M286 VanDerWaalsContact C-N 3.31Å; S284-M286 PolarHBondContact O-N 3.42Å; S284-K287 PolarHBondContact O-N 2.82Å; S284-C288 PolarHBondContact O-N 2.79Å; S284-C288 PolarHBondContact O-SG 2.82Å
285I98.4Very high97.8Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-62.1-39.7173.5-61170.4000111I154 T281 Y282 K287 C288 R293 L296 Y297 I300I154-I285 HydrophobicContact CD1-CD1 4.43Å; I154-I285 HydrophobicContact CD1-CG1 3.68Å; I154-I285 HydrophobicContact CG2-CD1 4.05Å; I154-I285 HydrophobicContact CG2-CG1 4.18Å; T281-I285 HydrophobicContact CG2-CD1 4.44Å; T281-I285 WeakPolarHBondContact O-CG1 3.27Å; T281-I285 PolarHBondContact O-N 3.02Å; T281-I285 VanDerWaalsContact O-N 3.12Å; Y282-I285 PolarHBondContact O-N 3.34Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 3.08Å; I285-C288 VanDerWaalsContact O-CB 3.3Å; I285-C288 WeakPolarHBondContact O-CB 3.49Å; I285-C288 PolarHBondContact O-N 2.89Å; I285-C288 VanDerWaalsContact O-N 3.09Å; I285-R293 HydrophobicContact CG2-CB 3.93Å; I285-R293 HydrophobicContact CG2-CG 3.91Å; I285-R293 PolarHBondContact O-NE 3.39Å; I285-L296 HydrophobicContact CD1-CB 4.47Å; I285-L296 HydrophobicContact CG1-CB 4.15Å; I285-L296 HydrophobicContact CG1-CD1 4.44Å; I285-L296 HydrophobicContact CG2-CB 4.27Å; I285-L296 HydrophobicContact CG2-CD1 4.28Å; I285-Y297 HydrophobicContact CB-CE1 4.45Å; I285-Y297 HydrophobicContact CD1-CD1 3.47Å; I285-Y297 VanDerWaalsContact CD1-CD1 3.47Å; I285-Y297 HydrophobicContact CD1-CE1 3.45Å; I285-Y297 VanDerWaalsContact CD1-CE1 3.45Å; I285-Y297 HydrophobicContact CD1-CG 4.2Å; I285-Y297 HydrophobicContact CG2-CD1 4.47Å; I285-Y297 HydrophobicContact CG2-CD2 4.11Å; I285-Y297 HydrophobicContact CG2-CE1 4.09Å; I285-Y297 HydrophobicContact CG2-CE2 3.69Å; I285-Y297 HydrophobicContact CG2-CG 4.47Å; I285-I300 HydrophobicContact CD1-CD1 4.32Å
286M97.7Very high97.9Very high50 Ų5048.3 Ų48.325%0.24624%0.242CC..Hα-helixtrans-69.3-22.3179.1-75.4-67.5142.400114Y282 S283 S284 C288 R293 Y297Y282-M286 HydrophobicContact CD1-CG 4.23Å; Y282-M286 HydrophobicContact CD2-CE 4.46Å; Y282-M286 HydrophobicContact CD2-CG 4.37Å; Y282-M286 HydrophobicContact CE1-CG 3.73Å; Y282-M286 HydrophobicContact CE2-CE 3.62Å; Y282-M286 HydrophobicContact CE2-CG 3.87Å; Y282-M286 HydrophobicContact CE2-SD 4.39Å; Y282-M286 WeakPolarHBondContact O-CG 3.31Å; Y282-M286 PolarHBondContact O-N 3.4Å; S283-M286 PolarHBondContact O-N 3.3Å; S284-M286 VanDerWaalsContact C-N 3.31Å; S284-M286 PolarHBondContact O-N 3.42Å; M286-C288 VanDerWaalsContact C-N 3.3Å; M286-R293 PolarHBondContact O-NH2 3.39Å; M286-R293 PolarHBondContact SD-NH1 2.97Å; M286-Y297 HydrophobicContact CE-CE2 4.33Å; M286-Y297 WeakPolarHBondContact CE-OH 3.35Å
287K98.3Very high97.9Very high111 Ų11148.2 Ų48.248%0.48324%0.241SC..Hα-helixtrans-76.9-16.6170.9-74.8-175.9175.4-1650113.3A177 L179 S283 S284 I285A177-K287 HydrophobicContact CB-CB 3.69Å; L179-K287 HydrophobicContact CD2-CD 4.19Å; L179-K287 VanDerWaalsContact CD2-NZ 3.3Å; S283-K287 WeakPolarHBondContact O-CG 3.45Å; S283-K287 PolarHBondContact O-N 2.92Å; S284-K287 PolarHBondContact O-N 2.82Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 3.08Å
288C98Very high97.8Very high1 Ų149.5 Ų49.51%0.00725%0.25CS..SBendtrans-82.5159.3177.4-60.90000111.8P167 A177 S284 I285 M286 I292 R293 L296P167-C288 VanDerWaalsContact CB-SG 3.55Å; P167-C288 VanDerWaalsContact CG-SG 3.59Å; A177-C288 VanDerWaalsContact CB-SG 3.51Å; S284-C288 PolarHBondContact O-N 2.79Å; S284-C288 PolarHBondContact O-SG 2.82Å; I285-C288 VanDerWaalsContact O-CB 3.3Å; I285-C288 WeakPolarHBondContact O-CB 3.49Å; I285-C288 PolarHBondContact O-N 2.89Å; I285-C288 VanDerWaalsContact O-N 3.09Å; M286-C288 VanDerWaalsContact C-N 3.3Å; C288-I292 HydrophobicContact CB-CD1 3.92Å; C288-I292 HydrophobicContact CB-CG1 4.1Å; C288-R293 PolarHBondContact O-NE 3.41Å; C288-R293 PolarHBondContact O-NH2 2.83Å; C288-L296 HydrophobicContact CB-CD1 3.77Å; C288-L296 VanDerWaalsContact SG-CD1 3.59Å
289D97Very high97.8Very high117 Ų11750.2 Ų50.263%0.62626%0.255SS*.  trans-59.6144175.1-68.7-37000112.1D291 I292 R293D289-D291 PolarHBondContact O-N 3.21Å; D289-I292 HydrophobicContact CB-CG1 4.47Å; D289-I292 VanDerWaalsContact O-CG1 3.26Å; D289-I292 WeakPolarHBondContact O-CG1 3.26Å; D289-I292 PolarHBondContact O-N 3.03Å; D289-R293 WeakPolarHBondContact O-CG 3.46Å
290V95.9Very high97.8Very high97 Ų9746.7 Ų46.759%0.58824%0.238SC*.Hα-helixtrans-56.5-38-173.3175.40000112.1I292 R293V290-I292 VanDerWaalsContact C-N 3.28Å; V290-I292 PolarHBondContact O-N 3.21Å; V290-R293 PolarHBondContact O-N 2.93Å
291D96.1Very high97.8Very high145 Ų14546 Ų4678%0.77523%0.234SC*.Hα-helixtrans-64.6-31-174.1-64.5-20.9000112.9D289D289-D291 PolarHBondContact O-N 3.21Å
292I97Very high97.8Very high22 Ų2246 Ų4611%0.11323%0.234CC..Hα-helixtrans-94.2-13.2-177.666.1165.8000113.4Y169 L174 C288 D289 V290 K294 D295 L296Y169-I292 HydrophobicContact CD2-CB 3.99Å; Y169-I292 HydrophobicContact CD2-CD1 4.41Å; Y169-I292 HydrophobicContact CD2-CG2 3.59Å; Y169-I292 HydrophobicContact CE2-CB 4.2Å; Y169-I292 HydrophobicContact CE2-CG2 3.47Å; Y169-I292 VanDerWaalsContact CE2-CG2 3.47Å; Y169-I292 HydrophobicContact CG-CG2 4.32Å; L174-I292 HydrophobicContact CD1-CD1 3.45Å; L174-I292 VanDerWaalsContact CD1-CD1 3.45Å; C288-I292 HydrophobicContact CB-CD1 3.92Å; C288-I292 HydrophobicContact CB-CG1 4.1Å; D289-I292 HydrophobicContact CB-CG1 4.47Å; D289-I292 VanDerWaalsContact O-CG1 3.26Å; D289-I292 WeakPolarHBondContact O-CG1 3.26Å; D289-I292 PolarHBondContact O-N 3.03Å; V290-I292 VanDerWaalsContact C-N 3.28Å; V290-I292 PolarHBondContact O-N 3.21Å; I292-K294 PolarHBondContact O-N 3.49Å; I292-D295 PolarHBondContact O-N 3.25Å; I292-L296 HydrophobicContact CD1-CD1 4.25Å; I292-L296 HydrophobicContact CG1-CD1 4.33Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 3.05Å; I292-L296 VanDerWaalsContact O-N 3.07Å
293R97.8Very high97.8Very high50 Ų5043 Ų4319%0.18922%0.222CC..Hα-helixtrans-58.7-35.6-175.2-64.2-175.4-171.1175.21.5112.9I285 M286 C288 D289 V290 D295 L296 Y297I285-R293 HydrophobicContact CG2-CB 3.93Å; I285-R293 HydrophobicContact CG2-CG 3.91Å; I285-R293 PolarHBondContact O-NE 3.39Å; M286-R293 PolarHBondContact O-NH2 3.39Å; M286-R293 PolarHBondContact SD-NH1 2.97Å; C288-R293 PolarHBondContact O-NE 3.41Å; C288-R293 PolarHBondContact O-NH2 2.83Å; D289-R293 WeakPolarHBondContact O-CG 3.46Å; V290-R293 PolarHBondContact O-N 2.93Å; R293-D295 VanDerWaalsContact C-N 3.3Å; R293-D295 PolarHBondContact O-N 3.34Å; R293-L296 PolarHBondContact O-N 2.89Å; R293-Y297 HydrophobicContact CB-CD2 4.31Å; R293-Y297 HydrophobicContact CB-CE2 4.26Å; R293-Y297 WeakPolarHBondContact O-CB 3.38Å; R293-Y297 WeakPolarHBondContact O-CD2 3.44Å; R293-Y297 PolarHBondContact O-N 2.81Å
294K97.3Very high97.7Very high140 Ų14041.3 Ų41.361%0.60921%0.211SC*.Hα-helixtrans-60.4-41.6176.9-179.9-176.2167-171.80111.5I292 S298 M328I292-K294 PolarHBondContact O-N 3.49Å; K294-S298 WeakPolarHBondContact O-CB 3.29Å; K294-S298 PolarHBondContact O-N 2.65Å; K294-S298 VanDerWaalsContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 3.05Å; K294-M328 HydrophobicContact CB-SD 4.12Å
295D97.3Very high97.7Very high65 Ų6543.3 Ų43.335%0.34823%0.232SC..Hα-helixtrans-71.9-37.4178.8-61-45.2000111.3T152 I292 R293 S298 N299T152-D295 HydrophobicContact CG2-CB 3.8Å; I292-D295 PolarHBondContact O-N 3.25Å; R293-D295 VanDerWaalsContact C-N 3.3Å; R293-D295 PolarHBondContact O-N 3.34Å; D295-S298 PolarHBondContact O-N 3.12Å; D295-S298 PolarHBondContact O-OG 3.39Å; D295-S298 VanDerWaalsContact O-OG 3.12Å; D295-N299 WeakPolarHBondContact O-CB 3.35Å; D295-N299 PolarHBondContact O-N 3.01Å; D295-N299 PolarHBondContact O-ND2 2.92Å
296L98.2Very high97.7Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-63.8-48.6174.5-59.9-179.7000111.9G153 I154 P167 I285 C288 I292 R293 S298 N299 I300G153-L296 VanDerWaalsContact C-CD2 3.49Å; G153-L296 WeakPolarHBondContact O-CD2 3.33Å; I154-L296 HydrophobicContact CB-CD2 4.47Å; I154-L296 HydrophobicContact CG2-CB 4.46Å; P167-L296 HydrophobicContact CB-CD1 4.05Å; P167-L296 HydrophobicContact CB-CD2 4.25Å; I285-L296 HydrophobicContact CD1-CB 4.47Å; I285-L296 HydrophobicContact CG1-CB 4.15Å; I285-L296 HydrophobicContact CG1-CD1 4.44Å; I285-L296 HydrophobicContact CG2-CB 4.27Å; I285-L296 HydrophobicContact CG2-CD1 4.28Å; C288-L296 HydrophobicContact CB-CD1 3.77Å; C288-L296 VanDerWaalsContact SG-CD1 3.59Å; I292-L296 HydrophobicContact CD1-CD1 4.25Å; I292-L296 HydrophobicContact CG1-CD1 4.33Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 3.05Å; I292-L296 VanDerWaalsContact O-N 3.07Å; R293-L296 PolarHBondContact O-N 2.89Å; L296-S298 VanDerWaalsContact C-N 3.27Å; L296-S298 PolarHBondContact O-N 3.39Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.3Å; L296-N299 PolarHBondContact O-N 3.17Å; L296-N299 VanDerWaalsContact O-N 3.11Å; L296-I300 WeakPolarHBondContact O-CG1 3.41Å
297Y98.2Very high97.7Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-62-33.1178.2-81.6-53.6000113.5Y282 I285 M286 R293 N299 I300 I320 A324 M328 K329 I330 K331Y282-Y297 WeakPolarHBondContact CD2-OH 3.5Å; Y282-Y297 WeakPolarHBondContact CE2-OH 3.49Å; I285-Y297 HydrophobicContact CB-CE1 4.45Å; I285-Y297 HydrophobicContact CD1-CD1 3.47Å; I285-Y297 VanDerWaalsContact CD1-CD1 3.47Å; I285-Y297 HydrophobicContact CD1-CE1 3.45Å; I285-Y297 VanDerWaalsContact CD1-CE1 3.45Å; I285-Y297 HydrophobicContact CD1-CG 4.2Å; I285-Y297 HydrophobicContact CG2-CD1 4.47Å; I285-Y297 HydrophobicContact CG2-CD2 4.11Å; I285-Y297 HydrophobicContact CG2-CE1 4.09Å; I285-Y297 HydrophobicContact CG2-CE2 3.69Å; I285-Y297 HydrophobicContact CG2-CG 4.47Å; M286-Y297 HydrophobicContact CE-CE2 4.33Å; M286-Y297 WeakPolarHBondContact CE-OH 3.35Å; R293-Y297 HydrophobicContact CB-CD2 4.31Å; R293-Y297 HydrophobicContact CB-CE2 4.26Å; R293-Y297 WeakPolarHBondContact O-CB 3.38Å; R293-Y297 WeakPolarHBondContact O-CD2 3.44Å; R293-Y297 PolarHBondContact O-N 2.81Å; Y297-N299 VanDerWaalsContact C-N 3.28Å; Y297-I300 HydrophobicContact CD1-CD1 4.46Å; Y297-I320 HydrophobicContact CD1-CG2 4.01Å; Y297-I320 HydrophobicContact CE1-CG2 3.98Å; Y297-A324 HydrophobicContact CD1-CB 4.22Å; Y297-A324 HydrophobicContact CE1-CB 3.63Å; Y297-A324 HydrophobicContact CE2-CB 4.35Å; Y297-M328 HydrophobicContact CD2-CB 3.93Å; Y297-M328 HydrophobicContact CD2-CG 3.67Å; Y297-M328 HydrophobicContact CD2-SD 3.95Å; Y297-M328 HydrophobicContact CE2-CB 4.44Å; Y297-M328 HydrophobicContact CE2-CG 3.92Å; Y297-M328 HydrophobicContact CE2-SD 4.48Å; Y297-M328 HydrophobicContact CG-CB 4.31Å; Y297-K329 CarbonylContact C-O 3.59Å; Y297-I330 HydrophobicContact CD1-CD1 3.4Å; Y297-I330 HydrophobicContact CD2-CD1 4.45Å; Y297-I330 HydrophobicContact CE1-CD1 4.12Å; Y297-I330 HydrophobicContact CG-CD1 3.61Å; Y297-I330 WeakPolarHBondContact O-CA 3.46Å; Y297-K331 PolarHBondContact O-N 3.02Å
298S97.3Very high97.7Very high29 Ų2939 Ų3920%0.20322%0.215CC..THydrogen-bonded Turntrans-83.8-2178.565.20000113.9K294 D295 L296 K331K294-S298 WeakPolarHBondContact O-CB 3.29Å; K294-S298 PolarHBondContact O-N 2.65Å; K294-S298 VanDerWaalsContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 3.05Å; D295-S298 PolarHBondContact O-N 3.12Å; D295-S298 PolarHBondContact O-OG 3.39Å; D295-S298 VanDerWaalsContact O-OG 3.12Å; L296-S298 VanDerWaalsContact C-N 3.27Å; L296-S298 PolarHBondContact O-N 3.39Å; S298-K331 WeakPolarHBondContact O-CB 3.39Å
299N97.7Very high97.7Very high32 Ų3239.8 Ų39.817%0.17122%0.218CC..  trans-142.258.3-179.4-64.3-67.3000111.6R150 G153 I154 D295 L296 Y297 V301R150-N299 WeakPolarHBondContact CD-OD1 3.38Å; R150-N299 PolarHBondContact NE-OD1 2.85Å; G153-N299 VanDerWaalsContact CA-O 3.32Å; G153-N299 WeakPolarHBondContact CA-O 3.32Å; I154-N299 PolarHBondContact N-O 3.05Å; D295-N299 WeakPolarHBondContact O-CB 3.35Å; D295-N299 PolarHBondContact O-N 3.01Å; D295-N299 PolarHBondContact O-ND2 2.92Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.3Å; L296-N299 PolarHBondContact O-N 3.17Å; L296-N299 VanDerWaalsContact O-N 3.11Å; Y297-N299 VanDerWaalsContact C-N 3.28Å; N299-V301 PolarHBondContact O-N 3.27Å
300I98.6Very high97.8Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-85.2104.2172.3-54.6-178.1000108.4I154 T281 I285 L296 Y297 I320 I330 K331 I332 V333I154-I300 HydrophobicContact CG2-CB 4.16Å; I154-I300 HydrophobicContact CG2-CG1 3.71Å; I154-I300 HydrophobicContact CG2-CG2 4.23Å; I154-I300 CarbonylContact O-C 3.51Å; I154-I300 WeakPolarHBondContact O-CA 3.32Å; T281-I300 HydrophobicContact CG2-CD1 4.45Å; T281-I300 HydrophobicContact CG2-CG2 4.14Å; I285-I300 HydrophobicContact CD1-CD1 4.32Å; L296-I300 WeakPolarHBondContact O-CG1 3.41Å; Y297-I300 HydrophobicContact CD1-CD1 4.46Å; I300-I320 HydrophobicContact CD1-CB 4.48Å; I300-I320 HydrophobicContact CD1-CG1 4.26Å; I300-I320 HydrophobicContact CD1-CG2 3.83Å; I300-I330 HydrophobicContact CD1-CG2 4.27Å; I300-K331 PolarHBondContact N-O 2.89Å; I300-K331 VanDerWaalsContact N-O 3.12Å; I300-I332 HydrophobicContact CB-CD1 3.74Å; I300-I332 HydrophobicContact CD1-CD1 3.84Å; I300-I332 HydrophobicContact CG1-CD1 4.29Å; I300-I332 HydrophobicContact CG2-CD1 3.81Å; I300-I332 CarbonylContact O-C 3.52Å; I300-I332 WeakPolarHBondContact O-CA 3.42Å; I300-V333 PolarHBondContact O-N 3.24Å
301V98.6Very high97.9Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-97.1126-176.5-177.50000110.3L145 I154 V155 L156 N299 V333L145-V301 HydrophobicContact CD1-CB 4.46Å; L145-V301 HydrophobicContact CD1-CG2 3.73Å; I154-V301 PolarHBondContact O-N 3.41Å; V155-V301 WeakPolarHBondContact CA-O 3.37Å; V155-V301 HydrophobicContact CG2-CB 4.23Å; L156-V301 PolarHBondContact N-O 3.49Å; N299-V301 PolarHBondContact O-N 3.27Å; V301-V333 CarbonylContact C-O 3.59Å; V301-V333 WeakPolarHBondContact CA-O 3.35Å; V301-V333 HydrophobicContact CG2-CB 4.15Å; V301-V333 HydrophobicContact CG2-CG1 4.5Å
302L98.7Very high98Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-88.2132.1173.9-57-169.7000110.3L156 T307 I312 I332 V333 A334 R338L156-L302 HydrophobicContact CB-CD2 4.03Å; L156-L302 HydrophobicContact CD2-CD2 3.88Å; L156-L302 HydrophobicContact CG-CD2 4.31Å; L302-T307 HydrophobicContact CB-CG2 4.3Å; L302-I312 HydrophobicContact CD1-CG2 4.07Å; L302-I332 HydrophobicContact CD1-CG2 3.79Å; L302-I332 HydrophobicContact CD2-CG2 4.2Å; L302-I332 HydrophobicContact CG-CG2 3.75Å; L302-V333 PolarHBondContact N-O 3.31Å; L302-A334 HydrophobicContact CB-CB 4.38Å; L302-A334 HydrophobicContact CD1-CB 4.06Å; L302-A334 HydrophobicContact CG-CB 4.41Å; L302-R338 WeakPolarHBondContact O-CB 3.45Å
303S98.3Very high98.1Very high0 Ų028.7 Ų28.70%017%0.17CC..EExtended strand (participates in β ladder)trans-136.5153.1179.5172.90000111.2S144 L156 D157 S158 T307S144-S303 WeakPolarHBondContact CB-OG 3.47Å; S144-S303 PolarHBondContact OG-OG 3.45Å; L156-S303 PolarHBondContact O-N 2.9Å; D157-S303 WeakPolarHBondContact CA-O 3.38Å; D157-S303 VanDerWaalsContact OD1-C 3.27Å; D157-S303 VanDerWaalsContact OD1-CB 3.24Å; D157-S303 WeakPolarHBondContact OD1-CB 3.37Å; D157-S303 PolarHBondContact OD1-OG 3.21Å; S158-S303 PolarHBondContact N-O 3.09Å; S303-T307 WeakPolarHBondContact O-CG2 3.35Å; S303-T307 PolarHBondContact O-OG1 3.38Å
304G97.5Very high98.1Very high8 Ų831.2 Ų31.28%0.08219%0.187CC..SBendtrans90.6160.2172.300000114.2D157 S158 S306 T307 R338D157-G304 PolarHBondContact OD1-N 3.48Å; S158-G304 CarbonylContact O-C 3.3Å; S158-G304 WeakPolarHBondContact O-CA 3.3Å; G304-S306 PolarHBondContact O-N 3.22Å; G304-T307 PolarHBondContact O-N 3.01Å; G304-T307 VanDerWaalsContact O-N 3.11Å; G304-T307 PolarHBondContact O-OG1 3.29Å; G304-R338 PolarHBondContact N-O 2.94Å
305G97.1Very high98.2Very high43 Ų4324.8 Ų24.844%0.44316%0.159SC..G310 helixtrans-63.1-35.3-170.300000114.6S158 T307 M308S158-G305 PolarHBondContact O-N 3Å; G305-T307 PolarHBondContact O-N 3.18Å; G305-M308 WeakPolarHBondContact O-CB 3.44Å; G305-M308 WeakPolarHBondContact O-CG 3.42Å; G305-M308 PolarHBondContact O-N 3.32Å
306S98.3Very high98.3Very high6 Ų621.7 Ų21.74%0.04214%0.143CC..G310 helixtrans-73.8-10.9178.8-64.40000112.7S158 G159 G185 G304 M308 F309S158-S306 WeakPolarHBondContact O-CB 3.41Å; S158-S306 PolarHBondContact O-N 3.31Å; S158-S306 VanDerWaalsContact OG-CB 3.3Å; S158-S306 WeakPolarHBondContact OG-CB 3.37Å; G159-S306 PolarHBondContact O-OG 3.07Å; G185-S306 VanDerWaalsContact CA-OG 3.25Å; G185-S306 WeakPolarHBondContact CA-OG 3.39Å; G185-S306 PolarHBondContact N-OG 3.45Å; G185-S306 VanDerWaalsContact N-OG 3.12Å; G304-S306 PolarHBondContact O-N 3.22Å; S306-M308 VanDerWaalsContact C-N 3.28Å; S306-F309 WeakPolarHBondContact O-CD2 3.4Å
307T98.5Very high98.3Very high0 Ų024.5 Ų24.50%016%0.155CC..G310 helixtrans-86.73.316874.90000113.1L302 S303 G304 G305 F309 I312 R338L302-T307 HydrophobicContact CB-CG2 4.3Å; S303-T307 WeakPolarHBondContact O-CG2 3.35Å; S303-T307 PolarHBondContact O-OG1 3.38Å; G304-T307 PolarHBondContact O-N 3.01Å; G304-T307 VanDerWaalsContact O-N 3.11Å; G304-T307 PolarHBondContact O-OG1 3.29Å; G305-T307 PolarHBondContact O-N 3.18Å; T307-F309 VanDerWaalsContact C-N 3.32Å; T307-I312 VanDerWaalsContact O-CG2 3.25Å; T307-I312 WeakPolarHBondContact O-CG2 3.37Å; T307-R338 VanDerWaalsContact O-CZ 3.27Å; T307-R338 PolarHBondContact O-NE 3.43Å; T307-R338 PolarHBondContact O-NH2 2.81Å; T307-R338 WeakPolarHBondContact OG1-CD 3.47Å; T307-R338 PolarHBondContact OG1-NE 3.03Å
308M98.3Very high98.3Very high65 Ų6528.2 Ų28.232%0.3217%0.172SC..G310 helixtrans-81.2-9177.7-64.1-63.9-63.900113.6G305 S306 R338 K339G305-M308 WeakPolarHBondContact O-CB 3.44Å; G305-M308 WeakPolarHBondContact O-CG 3.42Å; G305-M308 PolarHBondContact O-N 3.32Å; S306-M308 VanDerWaalsContact C-N 3.28Å; M308-R338 HydrophobicContact SD-CG 3.47Å; M308-R338 WeakPolarHBondContact SD-CG 3.43Å; M308-K339 HydrophobicContact CE-CG 4.45Å; M308-K339 HydrophobicContact CG-CB 4Å; M308-K339 HydrophobicContact SD-CB 4.06Å; M308-K339 HydrophobicContact SD-CG 4.29Å
309F98.6Very high98.3Very high16 Ų1628.5 Ų28.57%0.0717%0.17CC..SBendtrans-56.2128.8176.5-69.2-63.5000111.1L188 K216 C220 V222 P261 L264 S306 T307 G311 I312L188-F309 HydrophobicContact CD1-CE2 3.61Å; L188-F309 HydrophobicContact CD1-CZ 3.91Å; K216-F309 HydrophobicContact CD-CZ 4.1Å; K216-F309 HydrophobicContact CG-CE1 3.93Å; K216-F309 HydrophobicContact CG-CZ 3.9Å; C220-F309 HydrophobicContact CB-CD1 3.99Å; C220-F309 HydrophobicContact CB-CE1 3.67Å; V222-F309 HydrophobicContact CG2-CB 3.88Å; V222-F309 HydrophobicContact CG2-CG 4.46Å; P261-F309 HydrophobicContact CB-CD1 4.26Å; P261-F309 HydrophobicContact CB-CD2 3.85Å; P261-F309 HydrophobicContact CB-CE1 4.3Å; P261-F309 HydrophobicContact CB-CE2 3.91Å; P261-F309 HydrophobicContact CB-CG 4.05Å; P261-F309 HydrophobicContact CB-CZ 4.13Å; L264-F309 HydrophobicContact CD1-CD2 4.31Å; L264-F309 HydrophobicContact CD1-CE2 4.24Å; S306-F309 WeakPolarHBondContact O-CD2 3.4Å; T307-F309 VanDerWaalsContact C-N 3.32Å; F309-G311 PolarHBondContact O-N 3.39Å; F309-I312 HydrophobicContact CB-CB 4.48Å; F309-I312 WeakPolarHBondContact O-CB 3.42Å; F309-I312 VanDerWaalsContact O-CG2 3.23Å; F309-I312 WeakPolarHBondContact O-CG2 3.31Å; F309-I312 PolarHBondContact O-N 3.22Å
310P98.5Very high98.4Very high84 Ų8427 Ų2755%0.54516%0.162SC..THydrogen-bonded Turntrans-55.2141171.2-24.334000110.9V222 I312V222-P310 PolarHBondContact N-O 2.82Å; P310-I312 VanDerWaalsContact C-N 3.29Å; P310-I312 PolarHBondContact O-N 3.21Å
311G98.4Very high98.3Very high29 Ų2930.1 Ų30.130%0.29918%0.183SC..THydrogen-bonded Turntrans82.1-10.2179.700000115.9F309 S313 D314 R315F309-G311 PolarHBondContact O-N 3.39Å; G311-S313 VanDerWaalsContact C-N 3.3Å; G311-S313 PolarHBondContact O-N 2.92Å; G311-D314 PolarHBondContact O-N 3.09Å; G311-R315 PolarHBondContact O-N 3.31Å
312I98.7Very high98.2Very high2 Ų234.1 Ų34.11%0.0121%0.211CC..Hα-helixtrans-63.5-35.9-177.4-162.2175000112.8V222 L264 F265 I277 L302 T307 F309 P310 R315 M316V222-I312 HydrophobicContact CB-CB 4.3Å; V222-I312 HydrophobicContact CG2-CB 3.93Å; V222-I312 HydrophobicContact CG2-CG1 4.07Å; L264-I312 HydrophobicContact CD1-CD1 4.45Å; F265-I312 HydrophobicContact CE2-CG1 4.27Å; F265-I312 HydrophobicContact CZ-CG1 4Å; I277-I312 HydrophobicContact CD1-CD1 4.11Å; L302-I312 HydrophobicContact CD1-CG2 4.07Å; T307-I312 VanDerWaalsContact O-CG2 3.25Å; T307-I312 WeakPolarHBondContact O-CG2 3.37Å; F309-I312 HydrophobicContact CB-CB 4.48Å; F309-I312 WeakPolarHBondContact O-CB 3.42Å; F309-I312 VanDerWaalsContact O-CG2 3.23Å; F309-I312 WeakPolarHBondContact O-CG2 3.31Å; F309-I312 PolarHBondContact O-N 3.22Å; P310-I312 VanDerWaalsContact C-N 3.29Å; P310-I312 PolarHBondContact O-N 3.21Å; I312-R315 PolarHBondContact O-N 3.24Å; I312-M316 HydrophobicContact CG1-CG 4.38Å; I312-M316 VanDerWaalsContact O-CB 3.31Å; I312-M316 WeakPolarHBondContact O-CB 3.43Å; I312-M316 VanDerWaalsContact O-CG 3.3Å; I312-M316 WeakPolarHBondContact O-CG 3.27Å; I312-M316 PolarHBondContact O-N 3.41Å
313S98.3Very high98.2Very high33 Ų3336.9 Ų36.923%0.23123%0.226CC..Hα-helixtrans-63.9-45.2178.3-174.20000111.2G311 M316 Q317 I332G311-S313 VanDerWaalsContact C-N 3.3Å; G311-S313 PolarHBondContact O-N 2.92Å; S313-M316 PolarHBondContact O-N 3.26Å; S313-Q317 WeakPolarHBondContact O-CB 3.25Å; S313-Q317 PolarHBondContact O-N 3.26Å; S313-I332 WeakPolarHBondContact OG-CG2 3.35Å
314D98.5Very high98.1Very high104 Ų10437.4 Ų37.456%0.55623%0.23SC*.Hα-helixtrans-69-40.2180-58.7-50.8000111.4L224 G311 Q317 K318L224-D314 HydrophobicContact CD1-CB 4.22Å; G311-D314 PolarHBondContact O-N 3.09Å; D314-Q317 WeakPolarHBondContact O-CB 3.42Å; D314-Q317 PolarHBondContact O-N 2.87Å; D314-K318 PolarHBondContact O-N 3.31Å
315R98.7Very high97.9Very high5 Ų539.7 Ų39.72%0.01924%0.243CC..Hα-helixtrans-63.1-48.3174-176.763.1176.8-72.4-9.9111.5V222 A223 L224 E262 F265 G311 I312 Q317 K318 E319V222-R315 HydrophobicContact CG1-CB 3.47Å; V222-R315 VanDerWaalsContact CG1-CB 3.47Å; V222-R315 HydrophobicContact CG1-CG 3.62Å; A223-R315 WeakPolarHBondContact O-CD 3.34Å; A223-R315 PolarHBondContact O-NH1 2.94Å; L224-R315 WeakPolarHBondContact O-CD 3.49Å; E262-R315 IonicContact OE1-CZ 2.74Å; E262-R315 IonicContact OE1-NH1 3.22Å; E262-R315 IonicContact OE1-NH2 2.81Å; E262-R315 PolarHBondContact OE1-NH2 3.49Å; E262-R315 IonicContact OE2-CZ 2.83Å; E262-R315 IonicContact OE2-NH1 3.17Å; E262-R315 PolarHBondContact OE2-NH1 2.84Å; E262-R315 IonicContact OE2-NH2 3.42Å; E262-R315 PolarHBondContact OE2-NH2 3.49Å; F265-R315 HydrophobicContact CD1-CG 4.02Å; F265-R315 HydrophobicContact CD2-CG 4.5Å; F265-R315 HydrophobicContact CE1-CB 4.31Å; F265-R315 HydrophobicContact CE1-CG 3.5Å; F265-R315 VanDerWaalsContact CE1-CG 3.5Å; F265-R315 HydrophobicContact CE2-CG 4.03Å; F265-R315 HydrophobicContact CZ-CB 4Å; F265-R315 HydrophobicContact CZ-CG 3.5Å; F265-R315 VanDerWaalsContact CZ-CG 3.5Å; G311-R315 PolarHBondContact O-N 3.31Å; I312-R315 PolarHBondContact O-N 3.24Å; R315-Q317 VanDerWaalsContact C-N 3.29Å; R315-Q317 PolarHBondContact O-N 3.47Å; R315-K318 PolarHBondContact O-N 3.34Å; R315-E319 HydrophobicContact CG-CG 4.34Å; R315-E319 IonicContact CZ-OE1 2.82Å; R315-E319 IonicContact NE-OE1 3.78Å; R315-E319 PolarHBondContact NE-OE1 2.87Å; R315-E319 IonicContact NH2-OE1 2.79Å; R315-E319 PolarHBondContact NH2-OE1 3.49Å; R315-E319 WeakPolarHBondContact O-CG 3.5Å; R315-E319 PolarHBondContact O-N 2.86Å
316M98.5Very high97.7Very high0 Ų044.7 Ų44.70%027%0.265CS..Hα-helixtrans-57.6-42.1174.3-78.9-65-63.700111.8L156 F265 I277 H278 T281 I312 S313 E319 I320 I332L156-M316 HydrophobicContact CD2-CE 3.65Å; L156-M316 HydrophobicContact CD2-SD 4.02Å; F265-M316 HydrophobicContact CE1-CG 4.24Å; F265-M316 HydrophobicContact CE1-SD 3.79Å; F265-M316 HydrophobicContact CZ-CG 4.2Å; F265-M316 HydrophobicContact CZ-SD 4.19Å; I277-M316 HydrophobicContact CD1-SD 3.96Å; I277-M316 HydrophobicContact CG1-SD 3.96Å; H278-M316 HydrophobicContact CB-CE 4.42Å; H278-M316 HydrophobicContact CB-SD 3.88Å; T281-M316 HydrophobicContact CG2-CE 4.48Å; I312-M316 HydrophobicContact CG1-CG 4.38Å; I312-M316 VanDerWaalsContact O-CB 3.31Å; I312-M316 WeakPolarHBondContact O-CB 3.43Å; I312-M316 VanDerWaalsContact O-CG 3.3Å; I312-M316 WeakPolarHBondContact O-CG 3.27Å; I312-M316 PolarHBondContact O-N 3.41Å; S313-M316 PolarHBondContact O-N 3.26Å; M316-E319 PolarHBondContact O-N 2.86Å; M316-I320 HydrophobicContact CE-CD1 4.29Å; M316-I320 HydrophobicContact CE-CG1 4.08Å; M316-I320 WeakPolarHBondContact O-CB 3.47Å; M316-I320 VanDerWaalsContact O-CG1 3.23Å; M316-I320 WeakPolarHBondContact O-CG1 3.43Å; M316-I320 PolarHBondContact O-N 2.91Å; M316-I332 HydrophobicContact CB-CD1 4.18Å; M316-I332 HydrophobicContact CB-CG1 4.21Å
317Q98.5Very high97.5Very high58 Ų5850.3 Ų50.327%0.27130%0.3SS..Hα-helixtrans-60.4-47176.4-177.171.760.300111.4S313 D314 R315 C321 I330 I332S313-Q317 WeakPolarHBondContact O-CB 3.25Å; S313-Q317 PolarHBondContact O-N 3.26Å; D314-Q317 WeakPolarHBondContact O-CB 3.42Å; D314-Q317 PolarHBondContact O-N 2.87Å; R315-Q317 VanDerWaalsContact C-N 3.29Å; R315-Q317 PolarHBondContact O-N 3.47Å; Q317-C321 PolarHBondContact NE2-SG 2.82Å; Q317-C321 VanDerWaalsContact O-CB 3.25Å; Q317-C321 WeakPolarHBondContact O-CB 3.12Å; Q317-C321 PolarHBondContact O-N 3Å; Q317-C321 PolarHBondContact O-SG 2.94Å; Q317-I330 PolarHBondContact NE2-O 3.26Å; Q317-I332 HydrophobicContact CB-CG1 3.82Å
318K98.3Very high97.2Very high79 Ų7952.6 Ų52.634%0.34331%0.311SS..Hα-helixtrans-58.9-51176.9176.2-178.4170.2-177.10111.5L224 D225 D314 R315 C321 S322L224-K318 HydrophobicContact CD1-CB 4.06Å; L224-K318 HydrophobicContact CD1-CD 3.82Å; L224-K318 HydrophobicContact CG-CD 4.16Å; L224-K318 WeakPolarHBondContact O-CD 3.1Å; L224-K318 PolarHBondContact O-NZ 3.4Å; D225-K318 IonicContact OD2-NZ 3.86Å; D225-K318 PolarHBondContact OD2-NZ 3.46Å; D225-K318 VanDerWaalsContact OD2-NZ 3.1Å; D314-K318 PolarHBondContact O-N 3.31Å; R315-K318 PolarHBondContact O-N 3.34Å; K318-C321 PolarHBondContact O-N 3.28Å; K318-S322 PolarHBondContact O-N 3.42Å; K318-S322 VanDerWaalsContact O-N 3.14Å
319E98.4Very high97.1Very high34 Ų3457.3 Ų57.316%0.15933%0.33CS..Hα-helixtrans-70.8-38.9-174.8-60.8-62.1-17700112.8F265 H278 R315 M316 C321 S322 L323F265-E319 HydrophobicContact CD1-CG 4.28Å; F265-E319 HydrophobicContact CE1-CG 4.41Å; H278-E319 HydrophobicContact CB-CB 3.71Å; H278-E319 HydrophobicContact CB-CG 4.32Å; R315-E319 HydrophobicContact CG-CG 4.34Å; R315-E319 IonicContact CZ-OE1 2.82Å; R315-E319 IonicContact NE-OE1 3.78Å; R315-E319 PolarHBondContact NE-OE1 2.87Å; R315-E319 IonicContact NH2-OE1 2.79Å; R315-E319 PolarHBondContact NH2-OE1 3.49Å; R315-E319 WeakPolarHBondContact O-CG 3.5Å; R315-E319 PolarHBondContact O-N 2.86Å; M316-E319 PolarHBondContact O-N 2.86Å; E319-C321 VanDerWaalsContact C-N 3.35Å; E319-S322 PolarHBondContact O-N 3Å; E319-S322 PolarHBondContact O-OG 2.86Å; E319-L323 WeakPolarHBondContact O-CG 3.41Å; E319-L323 PolarHBondContact O-N 3.5Å
320I98.2Very high97.1Very high0 Ų057.4 Ų57.40%033%0.33CS..Hα-helixtrans-70.1-35.5176.3-61.5-64.5000110.8H278 T281 Y297 I300 M316 S322 L323 A324 I330H278-I320 HydrophobicContact CB-CD1 4.39Å; H278-I320 WeakPolarHBondContact O-CD1 3.32Å; T281-I320 HydrophobicContact CG2-CD1 4.29Å; Y297-I320 HydrophobicContact CD1-CG2 4.01Å; Y297-I320 HydrophobicContact CE1-CG2 3.98Å; I300-I320 HydrophobicContact CD1-CB 4.48Å; I300-I320 HydrophobicContact CD1-CG1 4.26Å; I300-I320 HydrophobicContact CD1-CG2 3.83Å; M316-I320 HydrophobicContact CE-CD1 4.29Å; M316-I320 HydrophobicContact CE-CG1 4.08Å; M316-I320 WeakPolarHBondContact O-CB 3.47Å; M316-I320 VanDerWaalsContact O-CG1 3.23Å; M316-I320 WeakPolarHBondContact O-CG1 3.43Å; M316-I320 PolarHBondContact O-N 2.91Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 3.16Å; I320-L323 PolarHBondContact O-N 2.94Å; I320-A324 HydrophobicContact CG2-CB 4.46Å; I320-A324 WeakPolarHBondContact O-CB 3.33Å; I320-A324 PolarHBondContact O-N 3.12Å; I320-I330 HydrophobicContact CB-CG2 3.97Å; I320-I330 HydrophobicContact CG2-CD1 4.04Å; I320-I330 HydrophobicContact CG2-CG1 4.17Å; I320-I330 HydrophobicContact CG2-CG2 3.57Å
321C97.4Very high97.1Very high67 Ų6758 Ų5845%0.45332%0.324SS..Hα-helixtrans-62.7-31.7173.3-78.70000113.2Q317 K318 E319Q317-C321 PolarHBondContact NE2-SG 2.82Å; Q317-C321 VanDerWaalsContact O-CB 3.25Å; Q317-C321 WeakPolarHBondContact O-CB 3.12Å; Q317-C321 PolarHBondContact O-N 3Å; Q317-C321 PolarHBondContact O-SG 2.94Å; K318-C321 PolarHBondContact O-N 3.28Å; E319-C321 VanDerWaalsContact C-N 3.35Å
322S97.5Very high97.1Very high84 Ų8457.4 Ų57.459%0.58731%0.314SS*.Hα-helixtrans-76.9-32.5178.169.80000112.4K318 E319 I320K318-S322 PolarHBondContact O-N 3.42Å; K318-S322 VanDerWaalsContact O-N 3.14Å; E319-S322 PolarHBondContact O-N 3Å; E319-S322 PolarHBondContact O-OG 2.86Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 3.16Å
323L97.6Very high97Very high58 Ų5858.3 Ų58.330%0.30432%0.32SS..Hα-helixtrans-84.2-36.1179.8-65.9173.1000113.4E279 Y282 E319 I320E279-L323 HydrophobicContact CG-CD1 4.16Å; Y282-L323 HydrophobicContact CD2-CB 3.67Å; Y282-L323 HydrophobicContact CE2-CB 4.04Å; Y282-L323 WeakPolarHBondContact CE2-O 3.36Å; Y282-L323 HydrophobicContact CG-CB 3.93Å; Y282-L323 HydrophobicContact CG-CD1 4.14Å; E319-L323 WeakPolarHBondContact O-CG 3.41Å; E319-L323 PolarHBondContact O-N 3.5Å; I320-L323 PolarHBondContact O-N 2.94Å
324A96Very high97Very high11 Ų1158.3 Ų58.39%0.09132%0.322CS..SBendtrans-78.1154.8-173.800000112.9Y297 I320 T326 I330Y297-A324 HydrophobicContact CD1-CB 4.22Å; Y297-A324 HydrophobicContact CE1-CB 3.63Å; Y297-A324 HydrophobicContact CE2-CB 4.35Å; I320-A324 HydrophobicContact CG2-CB 4.46Å; I320-A324 WeakPolarHBondContact O-CB 3.33Å; I320-A324 PolarHBondContact O-N 3.12Å; A324-T326 PolarHBondContact O-N 2.89Å; A324-I330 HydrophobicContact CB-CD1 3.66Å; A324-I330 HydrophobicContact CB-CG1 4.3Å
325P94Very high96.9Very high56 Ų5654 Ų5436%0.36430%0.3SS..  trans-57.2139.8172.1-22.332.5000111.9T327 M328P325-T327 PolarHBondContact O-N 2.89Å; P325-M328 HydrophobicContact CB-CG 4.15Å; P325-M328 HydrophobicContact CG-CG 4.27Å; P325-M328 WeakPolarHBondContact O-CB 3.27Å; P325-M328 PolarHBondContact O-N 3.18Å
326T92.9Very high96.8Very high148 Ų14858.6 Ų58.691%0.90833%0.33SS*.THydrogen-bonded Turntrans-62-16.4-175.554.70000114.8A324 M328A324-T326 PolarHBondContact O-N 2.89Å; T326-M328 VanDerWaalsContact C-N 3.34Å
327T92.8Very high96.7Very high124 Ų12462.6 Ų62.676%0.76135%0.349SS*.THydrogen-bonded Turntrans-80.3-13.9175.154.10000113.4P325P325-T327 PolarHBondContact O-N 2.89Å
328M94.1Very high96.6Very high48 Ų4861.3 Ų61.324%0.23634%0.341CS..SBendtrans-84.5132.6-178.1-63.4-63.3179.500111.1K294 Y297 P325 T326 I330K294-M328 HydrophobicContact CB-SD 4.12Å; Y297-M328 HydrophobicContact CD2-CB 3.93Å; Y297-M328 HydrophobicContact CD2-CG 3.67Å; Y297-M328 HydrophobicContact CD2-SD 3.95Å; Y297-M328 HydrophobicContact CE2-CB 4.44Å; Y297-M328 HydrophobicContact CE2-CG 3.92Å; Y297-M328 HydrophobicContact CE2-SD 4.48Å; Y297-M328 HydrophobicContact CG-CB 4.31Å; P325-M328 HydrophobicContact CB-CG 4.15Å; P325-M328 HydrophobicContact CG-CG 4.27Å; P325-M328 WeakPolarHBondContact O-CB 3.27Å; P325-M328 PolarHBondContact O-N 3.18Å; T326-M328 VanDerWaalsContact C-N 3.34Å; M328-I330 HydrophobicContact CB-CD1 3.93Å; M328-I330 PolarHBondContact O-N 3.39Å
329K95.6Very high96.5Very high164 Ų16461.6 Ų61.671%0.71334%0.343SS*.  trans-87107.6171.2-175.8178.6-179.3177.60109.4Y297Y297-K329 CarbonylContact C-O 3.59Å
330I97.9Very high96.5Very high17 Ų1762.8 Ų62.89%0.08735%0.346CS..  trans-85.6129.5179.2-48.8-48000109.7Y297 I300 Q317 I320 A324 M328 I332Y297-I330 HydrophobicContact CD1-CD1 3.4Å; Y297-I330 HydrophobicContact CD2-CD1 4.45Å; Y297-I330 HydrophobicContact CE1-CD1 4.12Å; Y297-I330 HydrophobicContact CG-CD1 3.61Å; Y297-I330 WeakPolarHBondContact O-CA 3.46Å; I300-I330 HydrophobicContact CD1-CG2 4.27Å; Q317-I330 PolarHBondContact NE2-O 3.26Å; I320-I330 HydrophobicContact CB-CG2 3.97Å; I320-I330 HydrophobicContact CG2-CD1 4.04Å; I320-I330 HydrophobicContact CG2-CG1 4.17Å; I320-I330 HydrophobicContact CG2-CG2 3.57Å; A324-I330 HydrophobicContact CB-CD1 3.66Å; A324-I330 HydrophobicContact CB-CG1 4.3Å; M328-I330 HydrophobicContact CB-CD1 3.93Å; M328-I330 PolarHBondContact O-N 3.39Å; I330-I332 HydrophobicContact CG2-CD1 4.39Å
331K98.1Very high96.5Very high96 Ų9662.9 Ų62.942%0.41735%0.347SS..  trans-137.3115.7173.8177.2-178.2179.2179.70110.3Y297 S298 I300 V333Y297-K331 PolarHBondContact O-N 3.02Å; S298-K331 WeakPolarHBondContact O-CB 3.39Å; I300-K331 PolarHBondContact N-O 2.89Å; I300-K331 VanDerWaalsContact N-O 3.12Å; K331-V333 HydrophobicContact CD-CG2 4.43Å; K331-V333 HydrophobicContact CG-CG2 4.25Å
332I98.4Very high96.5Very high18 Ų1860 Ų609%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-84.3133.1168.4-49.9-52.4000109.4I300 L302 S313 M316 Q317 I330I300-I332 HydrophobicContact CB-CD1 3.74Å; I300-I332 HydrophobicContact CD1-CD1 3.84Å; I300-I332 HydrophobicContact CG1-CD1 4.29Å; I300-I332 HydrophobicContact CG2-CD1 3.81Å; I300-I332 CarbonylContact O-C 3.52Å; I300-I332 WeakPolarHBondContact O-CA 3.42Å; L302-I332 HydrophobicContact CD1-CG2 3.79Å; L302-I332 HydrophobicContact CD2-CG2 4.2Å; L302-I332 HydrophobicContact CG-CG2 3.75Å; S313-I332 WeakPolarHBondContact OG-CG2 3.35Å; M316-I332 HydrophobicContact CB-CD1 4.18Å; M316-I332 HydrophobicContact CB-CG1 4.21Å; Q317-I332 HydrophobicContact CB-CG1 3.82Å; I330-I332 HydrophobicContact CG2-CD1 4.39Å
333V98.1Very high96.6Very high20 Ų2056 Ų5612%0.12130%0.299CS..EExtended strand (participates in β ladder)trans-117112.2176.4-178.40000107.4I300 V301 L302 K331 P335I300-V333 PolarHBondContact O-N 3.24Å; V301-V333 CarbonylContact C-O 3.59Å; V301-V333 WeakPolarHBondContact CA-O 3.35Å; V301-V333 HydrophobicContact CG2-CB 4.15Å; V301-V333 HydrophobicContact CG2-CG1 4.5Å; L302-V333 PolarHBondContact N-O 3.31Å; K331-V333 HydrophobicContact CD-CG2 4.43Å; K331-V333 HydrophobicContact CG-CG2 4.25Å; V333-P335 HydrophobicContact CG1-CG 4.49Å; V333-P335 WeakPolarHBondContact O-CD 3.25Å
334A97.7Very high96.6Very high33 Ų3354.5 Ų54.527%0.27329%0.291SS..  trans-122.186.4-179.300000109.7L302L302-A334 HydrophobicContact CB-CB 4.38Å; L302-A334 HydrophobicContact CD1-CB 4.06Å; L302-A334 HydrophobicContact CG-CB 4.41Å
335P96.7Very high96.7Very high14 Ų1454 Ų549%0.09129%0.287CS..  trans-54.5140.6176.3-23.533.6000111.2V333 E337 R338V333-P335 HydrophobicContact CG1-CG 4.49Å; V333-P335 WeakPolarHBondContact O-CD 3.25Å; P335-E337 WeakPolarHBondContact CB-OE1 3.46Å; P335-E337 PolarHBondContact O-N 2.86Å; P335-R338 HydrophobicContact CB-CB 4.18Å; P335-R338 HydrophobicContact CG-CB 4.46Å; P335-R338 WeakPolarHBondContact O-CB 3.24Å; P335-R338 WeakPolarHBondContact O-CD 3.26Å; P335-R338 WeakPolarHBondContact O-CG 3.43Å; P335-R338 PolarHBondContact O-N 3.07Å; P335-R338 VanDerWaalsContact O-N 3.13Å; P335-R338 PolarHBondContact O-NH1 3.19Å
336P96.4Very high96.8Very high102 Ų10251.3 Ų51.366%0.66227%0.269SS*.THydrogen-bonded Turntrans-56.7-38.8178.5-25.634.1000113.1R338P336-R338 VanDerWaalsContact C-N 3.31Å; P336-R338 PolarHBondContact O-N 2.97Å
337E95.4Very high97.1Very high84 Ų8444.4 Ų44.439%0.39323%0.227SC..THydrogen-bonded Turntrans-89.116.2179.965.7-69.4156.600113.6P335 K339 Y340 I344P335-E337 WeakPolarHBondContact CB-OE1 3.46Å; P335-E337 PolarHBondContact O-N 2.86Å; E337-K339 PolarHBondContact O-N 2.92Å; E337-Y340 WeakPolarHBondContact O-CA 3.43Å; E337-Y340 WeakPolarHBondContact O-CB 3.42Å; E337-Y340 PolarHBondContact O-N 3.07Å; E337-I344 HydrophobicContact CB-CD1 4.22Å; E337-I344 HydrophobicContact CG-CD1 3.5Å
338R97.1Very high97.2Very high30 Ų3041.9 Ų41.911%0.11321%0.209CC..G310 helixtrans-58.6-17.6-172.466.1-170.6172.7-78.20.6116.9L302 G304 T307 M308 P335 P336 Y340 S341L302-R338 WeakPolarHBondContact O-CB 3.45Å; G304-R338 PolarHBondContact N-O 2.94Å; T307-R338 VanDerWaalsContact O-CZ 3.27Å; T307-R338 PolarHBondContact O-NE 3.43Å; T307-R338 PolarHBondContact O-NH2 2.81Å; T307-R338 WeakPolarHBondContact OG1-CD 3.47Å; T307-R338 PolarHBondContact OG1-NE 3.03Å; M308-R338 HydrophobicContact SD-CG 3.47Å; M308-R338 WeakPolarHBondContact SD-CG 3.43Å; P335-R338 HydrophobicContact CB-CB 4.18Å; P335-R338 HydrophobicContact CG-CB 4.46Å; P335-R338 WeakPolarHBondContact O-CB 3.24Å; P335-R338 WeakPolarHBondContact O-CD 3.26Å; P335-R338 WeakPolarHBondContact O-CG 3.43Å; P335-R338 PolarHBondContact O-N 3.07Å; P335-R338 VanDerWaalsContact O-N 3.13Å; P335-R338 PolarHBondContact O-NH1 3.19Å; P336-R338 VanDerWaalsContact C-N 3.31Å; P336-R338 PolarHBondContact O-N 2.97Å; R338-Y340 PolarHBondContact O-N 3.43Å; R338-S341 VanDerWaalsContact CA-OG 3.3Å; R338-S341 WeakPolarHBondContact CA-OG 3.3Å; R338-S341 PolarHBondContact O-N 3.44Å
339K96.8Very high97.3Very high86 Ų8640.7 Ų40.737%0.37420%0.203SC..G310 helixtrans-62-19.9167.257.5168.4170.9164.90113.5K21 M308 E337K21-K339 WeakPolarHBondContact CE-O 3.28Å; M308-K339 HydrophobicContact CE-CG 4.45Å; M308-K339 HydrophobicContact CG-CB 4Å; M308-K339 HydrophobicContact SD-CB 4.06Å; M308-K339 HydrophobicContact SD-CG 4.29Å; E337-K339 PolarHBondContact O-N 2.92Å
340Y97.8Very high97.3Very high59 Ų5933.3 Ų33.323%0.23117%0.172CC..G310 helixtrans-115.51.8-179.5-53-41.8000113.1K21 P30 V33 E337 R338 V342 W343 I344K21-Y340 HydrophobicContact CD-CD1 3.74Å; K21-Y340 HydrophobicContact CD-CE1 4.3Å; P30-Y340 HydrophobicContact CG-CD1 4.25Å; P30-Y340 HydrophobicContact CG-CG 4.43Å; V33-Y340 HydrophobicContact CG2-CE1 4.12Å; E337-Y340 WeakPolarHBondContact O-CA 3.43Å; E337-Y340 WeakPolarHBondContact O-CB 3.42Å; E337-Y340 PolarHBondContact O-N 3.07Å; R338-Y340 PolarHBondContact O-N 3.43Å; Y340-V342 VanDerWaalsContact C-N 3.26Å; Y340-V342 PolarHBondContact O-N 3.41Å; Y340-V342 VanDerWaalsContact O-N 3.17Å; Y340-W343 PolarHBondContact O-N 3.23Å; Y340-I344 WeakPolarHBondContact O-CG1 3.45Å; Y340-I344 PolarHBondContact O-N 3.49Å
341S98.1Very high97.1Very high1 Ų135.6 Ų35.61%0.00719%0.19CC..Hα-helixtrans-52.7-41.1-175.4-80.20000113.6A147 R338 W343 I344 G345A147-S341 VanDerWaalsContact CB-O 3.22Å; A147-S341 WeakPolarHBondContact CB-O 3.4Å; R338-S341 VanDerWaalsContact CA-OG 3.3Å; R338-S341 WeakPolarHBondContact CA-OG 3.3Å; R338-S341 PolarHBondContact O-N 3.44Å; S341-W343 PolarHBondContact O-N 3.02Å; S341-I344 PolarHBondContact O-N 3.43Å; S341-G345 PolarHBondContact O-N 3.41Å
342V98.2Very high96.8Very high7 Ų734.7 Ų34.74%0.04219%0.19CC..Hα-helixtrans-56.4-51.9176.71750000111D14 T109 Q140 L143 S144 Y340 G345 G346D14-V342 HydrophobicContact CB-CG1 4.1Å; D14-V342 WeakPolarHBondContact OD1-CG1 3.26Å; T109-V342 HydrophobicContact CG2-CG1 3.83Å; Q140-V342 HydrophobicContact CB-CG1 3.89Å; Q140-V342 HydrophobicContact CB-CG2 3.94Å; Q140-V342 HydrophobicContact CG-CG1 3.73Å; Q140-V342 HydrophobicContact CG-CG2 4.45Å; L143-V342 WeakPolarHBondContact CB-O 3.12Å; L143-V342 HydrophobicContact CD1-CG1 4.33Å; S144-V342 WeakPolarHBondContact OG-CG2 3.32Å; S144-V342 PolarHBondContact OG-N 3.11Å; Y340-V342 VanDerWaalsContact C-N 3.26Å; Y340-V342 PolarHBondContact O-N 3.41Å; Y340-V342 VanDerWaalsContact O-N 3.17Å; V342-G345 PolarHBondContact O-N 2.83Å; V342-G346 PolarHBondContact O-N 2.98Å
343W98.5Very high96.4Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-67.3-42.6-178-17691.2000111.2V12 D14 K21 D27 A29 P30 Y340 S341 G345 G346 S347V12-W343 HydrophobicContact CG1-CG 4.27Å; V12-W343 PolarHBondContact O-NE1 3.44Å; D14-W343 HydrophobicContact CB-CB 4.19Å; K21-W343 HydrophobicContact CB-CB 4.41Å; K21-W343 HydrophobicContact CB-CG 4.36Å; D27-W343 HydrophobicContact CB-CH2 3.9Å; D27-W343 WeakPolarHBondContact O-CH2 3.45Å; D27-W343 WeakPolarHBondContact O-CZ3 3.32Å; A29-W343 VanDerWaalsContact C-CH2 3.42Å; A29-W343 VanDerWaalsContact O-CH2 3.29Å; A29-W343 WeakPolarHBondContact O-CH2 3.28Å; P30-W343 HydrophobicContact CB-CD2 3.75Å; P30-W343 HydrophobicContact CB-CE3 4.19Å; P30-W343 HydrophobicContact CB-CG 4.03Å; P30-W343 HydrophobicContact CB-CZ2 4.43Å; P30-W343 HydrophobicContact CG-CD2 4.3Å; P30-W343 HydrophobicContact CG-CE3 4.39Å; Y340-W343 PolarHBondContact O-N 3.23Å; S341-W343 PolarHBondContact O-N 3.02Å; W343-G345 VanDerWaalsContact C-N 3.3Å; W343-G345 PolarHBondContact O-N 3.41Å; W343-G346 CarbonylContact O-C 3.4Å; W343-G346 WeakPolarHBondContact O-CA 3.17Å; W343-G346 PolarHBondContact O-N 2.75Å; W343-G346 VanDerWaalsContact O-N 3.12Å; W343-S347 PolarHBondContact O-N 3.47Å
344I98.1Very high96Very high26 Ų2642.6 Ų42.613%0.13324%0.243CC..Hα-helixtrans-59.6-43.6176.7-67.1168.1000110.4A147 E337 Y340 S341 G346 S347 I348A147-I344 HydrophobicContact CB-CB 4.08Å; A147-I344 HydrophobicContact CB-CG2 3.88Å; E337-I344 HydrophobicContact CB-CD1 4.22Å; E337-I344 HydrophobicContact CG-CD1 3.5Å; Y340-I344 WeakPolarHBondContact O-CG1 3.45Å; Y340-I344 PolarHBondContact O-N 3.49Å; S341-I344 PolarHBondContact O-N 3.43Å; I344-G346 VanDerWaalsContact C-N 3.32Å; I344-G346 PolarHBondContact O-N 3.03Å; I344-S347 WeakPolarHBondContact O-CB 3.48Å; I344-S347 PolarHBondContact O-N 2.87Å; I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 WeakPolarHBondContact O-CG1 3.46Å; I344-I348 PolarHBondContact O-N 3.04Å
345G97.5Very high95.7Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-62.6-38.9176.100000112.9L143 S341 V342 W343 L349L143-G345 VanDerWaalsContact O-CA 3.27Å; L143-G345 WeakPolarHBondContact O-CA 3.4Å; S341-G345 PolarHBondContact O-N 3.41Å; V342-G345 PolarHBondContact O-N 2.83Å; W343-G345 VanDerWaalsContact C-N 3.3Å; W343-G345 PolarHBondContact O-N 3.41Å; G345-L349 VanDerWaalsContact O-CB 3.27Å; G345-L349 WeakPolarHBondContact O-CB 3.32Å; G345-L349 PolarHBondContact O-N 3.38Å
346G97.6Very high95.3Very high0 Ų045.6 Ų45.60%025%0.253CS..Hα-helixtrans-64.5-42172.100000112.6V342 W343 I344 L349 A350V342-G346 PolarHBondContact O-N 2.98Å; W343-G346 CarbonylContact O-C 3.4Å; W343-G346 WeakPolarHBondContact O-CA 3.17Å; W343-G346 PolarHBondContact O-N 2.75Å; W343-G346 VanDerWaalsContact O-N 3.12Å; I344-G346 VanDerWaalsContact C-N 3.32Å; I344-G346 PolarHBondContact O-N 3.03Å; G346-L349 PolarHBondContact O-N 3.15Å; G346-A350 VanDerWaalsContact O-CB 3.24Å; G346-A350 WeakPolarHBondContact O-CB 3.43Å; G346-A350 PolarHBondContact O-N 3.43Å
347S97.7Very high95Very high4 Ų448.6 Ų48.63%0.02826%0.258CS..Hα-helixtrans-60.6-47.3176.4-179.50000111.1G26 D27 W343 I344 S351G26-S347 PolarHBondContact N-OG 3.35Å; D27-S347 PolarHBondContact N-OG 3.22Å; D27-S347 PolarHBondContact O-OG 2.97Å; W343-S347 PolarHBondContact O-N 3.47Å; I344-S347 WeakPolarHBondContact O-CB 3.48Å; I344-S347 PolarHBondContact O-N 2.87Å; S347-S351 VanDerWaalsContact O-CB 3.29Å; S347-S351 WeakPolarHBondContact O-CB 3.41Å; S347-S351 PolarHBondContact O-N 3.15Å; S347-S351 VanDerWaalsContact O-N 3.12Å; S347-S351 PolarHBondContact O-OG 2.93Å
348I95.8Very high95Very high71 Ų7148 Ų4836%0.36426%0.256SS..Hα-helixtrans-60.5-55.1175.1-66.6165.3000109.9I344 A350 S351 L352I344-I348 HydrophobicContact CG2-CD1 3.93Å; I344-I348 WeakPolarHBondContact O-CG1 3.46Å; I344-I348 PolarHBondContact O-N 3.04Å; I348-A350 PolarHBondContact O-N 3.49Å; I348-S351 PolarHBondContact O-N 3.14Å; I348-S351 VanDerWaalsContact O-N 3.08Å; I348-S351 PolarHBondContact O-OG 3.31Å; I348-L352 WeakPolarHBondContact O-CG 3.47Å; I348-L352 PolarHBondContact O-N 2.9Å
349L95.1Very high94.9Very high22 Ų2247.4 Ų47.412%0.11525%0.254CS..Hα-helixtrans-57.8-47.7-175.8-178.164.1000112.4L107 L143 Y146 G345 G346 S351 L352 F355L107-L349 HydrophobicContact CD1-CD2 4.25Å; L143-L349 HydrophobicContact CD2-CB 4.31Å; L143-L349 HydrophobicContact CD2-CD2 3.63Å; Y146-L349 HydrophobicContact CD2-CD1 4.46Å; Y146-L349 HydrophobicContact CE2-CD1 4.19Å; Y146-L349 HydrophobicContact CE2-CD2 4.44Å; G345-L349 VanDerWaalsContact O-CB 3.27Å; G345-L349 WeakPolarHBondContact O-CB 3.32Å; G345-L349 PolarHBondContact O-N 3.38Å; G346-L349 PolarHBondContact O-N 3.15Å; L349-S351 PolarHBondContact O-N 3.24Å; L349-L352 HydrophobicContact CD1-CD1 4.35Å; L349-L352 WeakPolarHBondContact O-CB 3.46Å; L349-L352 PolarHBondContact O-N 3.28Å; L349-F355 HydrophobicContact CD1-CD2 3.59Å; L349-F355 HydrophobicContact CD1-CE2 3.88Å; L349-F355 HydrophobicContact CD1-CG 4.31Å; L349-F355 HydrophobicContact CD2-CD2 4.29Å; L349-F355 HydrophobicContact CD2-CE2 3.72Å; L349-F355 HydrophobicContact CD2-CZ 4.07Å; L349-F355 HydrophobicContact CG-CD2 3.69Å; L349-F355 HydrophobicContact CG-CE2 3.62Å; L349-F355 HydrophobicContact CG-CG 4.22Å; L349-F355 HydrophobicContact CG-CZ 4.08Å; L349-F355 VanDerWaalsContact O-CB 3.26Å; L349-F355 WeakPolarHBondContact O-CB 3.45Å; L349-F355 WeakPolarHBondContact O-CG 3.33Å
350A95.8Very high95Very high9 Ų943.3 Ų43.37%0.07424%0.236CC..Hα-helixtrans-70.7-17.9-179.600000113.3A10 V12 A25 L107 G346 I348 W359A10-A350 HydrophobicContact CB-CB 4.15Å; V12-A350 HydrophobicContact CG2-CB 4.15Å; A25-A350 HydrophobicContact CB-CB 3.6Å; L107-A350 HydrophobicContact CD1-CB 4.14Å; G346-A350 VanDerWaalsContact O-CB 3.24Å; G346-A350 WeakPolarHBondContact O-CB 3.43Å; G346-A350 PolarHBondContact O-N 3.43Å; I348-A350 PolarHBondContact O-N 3.49Å; A350-W359 HydrophobicContact CB-CH2 4.21Å; A350-W359 HydrophobicContact CB-CZ2 4.05Å
351S94.1Very high95Very high66 Ų6643.1 Ų43.146%0.46224%0.242SC..Hα-helixtrans-85.8-11.5175.273.80000113.8S347 I348 L349 S353S347-S351 VanDerWaalsContact O-CB 3.29Å; S347-S351 WeakPolarHBondContact O-CB 3.41Å; S347-S351 PolarHBondContact O-N 3.15Å; S347-S351 VanDerWaalsContact O-N 3.12Å; S347-S351 PolarHBondContact O-OG 2.93Å; I348-S351 PolarHBondContact O-N 3.14Å; I348-S351 VanDerWaalsContact O-N 3.08Å; I348-S351 PolarHBondContact O-OG 3.31Å; L349-S351 PolarHBondContact O-N 3.24Å; S351-S353 PolarHBondContact O-N 2.89Å
352L92.7Very high94.9Very high77 Ų7746.5 Ų46.540%0.40326%0.256SS..  trans-73.2127.2179.4-62.7178.8000111.1I348 L349 T354 F355I348-L352 WeakPolarHBondContact O-CG 3.47Å; I348-L352 PolarHBondContact O-N 2.9Å; L349-L352 HydrophobicContact CD1-CD1 4.35Å; L349-L352 WeakPolarHBondContact O-CB 3.46Å; L349-L352 PolarHBondContact O-N 3.28Å; L352-T354 PolarHBondContact O-N 2.9Å; L352-T354 VanDerWaalsContact O-N 3.16Å; L352-F355 HydrophobicContact CB-CB 4.13Å; L352-F355 VanDerWaalsContact O-CB 3.24Å; L352-F355 WeakPolarHBondContact O-CB 3.4Å; L352-F355 PolarHBondContact O-N 3.48Å
353S89.6Confident94.9Very high98 Ų9851.8 Ų51.869%0.68528%0.28SS*.G310 helixtrans-59.4-29.4176.162.20000113.5S351 F355 N356S351-S353 PolarHBondContact O-N 2.89Å; S353-F355 VanDerWaalsContact C-N 3.27Å; S353-F355 PolarHBondContact O-N 2.83Å; S353-N356 WeakPolarHBondContact O-CB 3.37Å; S353-N356 PolarHBondContact O-N 2.88Å
354T89.3Confident94.9Very high106 Ų10653.9 Ų53.965%0.6529%0.29SS*.G310 helixtrans-71-22.6175.350.10000112.9L352 N356L352-T354 PolarHBondContact O-N 2.9Å; L352-T354 VanDerWaalsContact O-N 3.16Å; T354-N356 PolarHBondContact O-N 2.82Å
355F91.3Very high94.9Very high9 Ų953.2 Ų53.24%0.03929%0.286CS..G310 helixtrans-74.2-16.8178.6-168.7-106.6000112.6L107 Y136 L349 L352 S353 Q357 M358 W359L107-F355 HydrophobicContact CD1-CE1 4.26Å; L107-F355 HydrophobicContact CD1-CZ 4.2Å; Y136-F355 HydrophobicContact CD1-CE2 4.29Å; Y136-F355 AromaticContact CD1-CZ 3.63Å; Y136-F355 HydrophobicContact CD1-CZ 3.63Å; Y136-F355 HydrophobicContact CD2-CE2 4.42Å; Y136-F355 AromaticContact CD2-CZ 3.9Å; Y136-F355 HydrophobicContact CD2-CZ 3.9Å; Y136-F355 HydrophobicContact CE1-CE2 4.23Å; Y136-F355 HydrophobicContact CE1-CZ 4.03Å; Y136-F355 HydrophobicContact CE2-CE2 4.36Å; Y136-F355 HydrophobicContact CE2-CZ 4.27Å; Y136-F355 HydrophobicContact CG-CE1 4.36Å; Y136-F355 HydrophobicContact CG-CE2 4.39Å; Y136-F355 AromaticContact CG-CZ 3.56Å; Y136-F355 HydrophobicContact CG-CZ 3.56Å; L349-F355 HydrophobicContact CD1-CD2 3.59Å; L349-F355 HydrophobicContact CD1-CE2 3.88Å; L349-F355 HydrophobicContact CD1-CG 4.31Å; L349-F355 HydrophobicContact CD2-CD2 4.29Å; L349-F355 HydrophobicContact CD2-CE2 3.72Å; L349-F355 HydrophobicContact CD2-CZ 4.07Å; L349-F355 HydrophobicContact CG-CD2 3.69Å; L349-F355 HydrophobicContact CG-CE2 3.62Å; L349-F355 HydrophobicContact CG-CG 4.22Å; L349-F355 HydrophobicContact CG-CZ 4.08Å; L349-F355 VanDerWaalsContact O-CB 3.26Å; L349-F355 WeakPolarHBondContact O-CB 3.45Å; L349-F355 WeakPolarHBondContact O-CG 3.33Å; L352-F355 HydrophobicContact CB-CB 4.13Å; L352-F355 VanDerWaalsContact O-CB 3.24Å; L352-F355 WeakPolarHBondContact O-CB 3.4Å; L352-F355 PolarHBondContact O-N 3.48Å; S353-F355 VanDerWaalsContact C-N 3.27Å; S353-F355 PolarHBondContact O-N 2.83Å; F355-Q357 PolarHBondContact O-N 3.47Å; F355-M358 HydrophobicContact CD2-CB 3.79Å; F355-M358 HydrophobicContact CD2-CG 3.93Å; F355-M358 HydrophobicContact CE2-CB 3.72Å; F355-M358 HydrophobicContact CE2-CG 4.18Å; F355-M358 HydrophobicContact CG-CB 4.36Å; F355-M358 HydrophobicContact CZ-CB 4.24Å; F355-M358 WeakPolarHBondContact O-CB 3.44Å; F355-M358 PolarHBondContact O-N 2.94Å; F355-W359 HydrophobicContact CD1-CD2 4.3Å; F355-W359 AromaticContact CD1-CE2 3.66Å; F355-W359 AromaticContact CD1-CZ2 3.78Å; F355-W359 HydrophobicContact CD1-CZ2 3.78Å; F355-W359 AromaticContact CD1-NE1 3.79Å; F355-W359 AromaticContact CE1-CD2 3.9Å; F355-W359 HydrophobicContact CE1-CD2 3.9Å; F355-W359 AromaticContact CE1-CE2 3.58Å; F355-W359 HydrophobicContact CE1-CE3 4.15Å; F355-W359 AromaticContact CE1-CH2 3.85Å; F355-W359 HydrophobicContact CE1-CH2 3.85Å; F355-W359 AromaticContact CE1-CZ2 3.55Å; F355-W359 HydrophobicContact CE1-CZ2 3.55Å; F355-W359 HydrophobicContact CE1-CZ3 4.12Å
356N88.8Confident94.9Very high101 Ų10158.7 Ų58.754%0.5432%0.315SS..G310 helixtrans-55.4-27-179.9-73.9-14.1000114S353 T354S353-N356 WeakPolarHBondContact O-CB 3.37Å; S353-N356 PolarHBondContact O-N 2.88Å; T354-N356 PolarHBondContact O-N 2.82Å
357Q90.5Very high94.9Very high165 Ų16565.3 Ų65.377%0.77135%0.346SS*.G310 helixtrans-82.5-14.3178.3-61.3179.50.100113.8F355F355-Q357 PolarHBondContact O-N 3.47Å
358M93.7Very high94.9Very high70 Ų7067 Ų6735%0.34536%0.358SS..THydrogen-bonded Turntrans-87.2-24.2-176.3-64.3-58.1-61.500112.9Y136 F355 I360Y136-M358 HydrophobicContact CD2-CB 4.38Å; Y136-M358 WeakPolarHBondContact CD2-O 3.19Å; Y136-M358 HydrophobicContact CE2-CB 4.1Å; Y136-M358 HydrophobicContact CE2-CE 4.25Å; F355-M358 HydrophobicContact CD2-CB 3.79Å; F355-M358 HydrophobicContact CD2-CG 3.93Å; F355-M358 HydrophobicContact CE2-CB 3.72Å; F355-M358 HydrophobicContact CE2-CG 4.18Å; F355-M358 HydrophobicContact CG-CB 4.36Å; F355-M358 HydrophobicContact CZ-CB 4.24Å; F355-M358 WeakPolarHBondContact O-CB 3.44Å; F355-M358 PolarHBondContact O-N 2.94Å; M358-I360 PolarHBondContact O-N 3.24Å
359W96.6Very high94.9Very high18 Ų1864.7 Ų64.77%0.06835%0.351CS..SBendtrans-52.7140.2176.8-67.3118.4000111.6A10 P105 L107 A134 M135 A350 F355A10-W359 HydrophobicContact CB-CH2 3.93Å; A10-W359 HydrophobicContact CB-CZ2 3.73Å; P105-W359 HydrophobicContact CB-CD2 4.38Å; P105-W359 HydrophobicContact CB-CE3 4.41Å; P105-W359 HydrophobicContact CB-CH2 4.14Å; P105-W359 HydrophobicContact CB-CZ2 4.11Å; P105-W359 HydrophobicContact CB-CZ3 4.3Å; L107-W359 HydrophobicContact CB-CH2 3.89Å; L107-W359 HydrophobicContact CB-CZ3 4.13Å; A134-W359 HydrophobicContact CB-CB 4.11Å; A134-W359 HydrophobicContact CB-CG 4.45Å; M135-W359 VanDerWaalsContact C-CE3 3.41Å; A350-W359 HydrophobicContact CB-CH2 4.21Å; A350-W359 HydrophobicContact CB-CZ2 4.05Å; F355-W359 HydrophobicContact CD1-CD2 4.3Å; F355-W359 AromaticContact CD1-CE2 3.66Å; F355-W359 AromaticContact CD1-CZ2 3.78Å; F355-W359 HydrophobicContact CD1-CZ2 3.78Å; F355-W359 AromaticContact CD1-NE1 3.79Å; F355-W359 AromaticContact CE1-CD2 3.9Å; F355-W359 HydrophobicContact CE1-CD2 3.9Å; F355-W359 AromaticContact CE1-CE2 3.58Å; F355-W359 HydrophobicContact CE1-CE3 4.15Å; F355-W359 AromaticContact CE1-CH2 3.85Å; F355-W359 HydrophobicContact CE1-CH2 3.85Å; F355-W359 AromaticContact CE1-CZ2 3.55Å; F355-W359 HydrophobicContact CE1-CZ2 3.55Å; F355-W359 HydrophobicContact CE1-CZ3 4.12Å
360I97.8Very high95Very high0 Ų065.4 Ų65.40%036%0.357CS..EExtended strand (participates in β ladder)trans-82.9118.6162.9-58.2162.9000105.5F127 A134 M135 M358 I372 V373 K376F127-I360 HydrophobicContact CE2-CG2 3.87Å; F127-I360 HydrophobicContact CZ-CB 4.38Å; F127-I360 HydrophobicContact CZ-CG2 3.9Å; F127-I360 WeakPolarHBondContact CZ-O 3.16Å; A134-I360 CarbonylContact C-O 3.47Å; A134-I360 WeakPolarHBondContact CA-O 3.31Å; A134-I360 WeakPolarHBondContact CB-O 3.34Å; M135-I360 HydrophobicContact CG-CB 4.49Å; M135-I360 PolarHBondContact N-O 2.83Å; M135-I360 WeakPolarHBondContact O-CB 3.25Å; M135-I360 PolarHBondContact O-N 3.35Å; M358-I360 PolarHBondContact O-N 3.24Å; I360-I372 HydrophobicContact CD1-CG2 4.37Å; I360-I372 HydrophobicContact CG2-CG1 4.13Å; I360-I372 HydrophobicContact CG2-CG2 3.58Å; I360-V373 HydrophobicContact CD1-CB 4.11Å; I360-V373 HydrophobicContact CD1-CG2 4.15Å; I360-K376 HydrophobicContact CD1-CB 4.19Å; I360-K376 HydrophobicContact CG1-CB 3.71Å; I360-K376 HydrophobicContact CG1-CG 4.03Å
361T97.6Very high95.1Very high56 Ų5667.2 Ų67.234%0.34437%0.369SS..EExtended strand (participates in β ladder)trans-86.4157176.661.60000111.1H363 E364 Y365T361-H363 PolarHBondContact O-N 3.39Å; T361-E364 PolarHBondContact N-OE2 3.14Å; T361-E364 PolarHBondContact O-N 2.59Å; T361-E364 VanDerWaalsContact O-N 3.09Å; T361-E364 WeakPolarHBondContact OG1-CG 3.25Å; T361-E364 PolarHBondContact OG1-N 3.23Å; T361-E364 PolarHBondContact OG1-OE2 3.3Å; T361-Y365 PolarHBondContact O-N 3.42Å
362K97.4Very high95.3Very high71 Ų7164.6 Ų64.631%0.30935%0.35SS..Hα-helixtrans-54.5-37.5173.6-171.5167.9-171.5162.20112.5F127 N131 P133 Y365 D366F127-K362 HydrophobicContact CD1-CB 4.04Å; F127-K362 HydrophobicContact CD1-CG 4.13Å; F127-K362 VanDerWaalsContact CE1-CA 3.47Å; F127-K362 HydrophobicContact CE1-CB 3.93Å; N131-K362 PolarHBondContact OD1-NZ 2.93Å; N131-K362 VanDerWaalsContact OD1-NZ 3.07Å; P133-K362 PolarHBondContact O-N 3.18Å; K362-Y365 WeakPolarHBondContact O-CB 3.42Å; K362-Y365 PolarHBondContact O-N 2.75Å; K362-D366 PolarHBondContact O-N 3.02Å
363H97.5Very high95.5Very high119 Ų11961 Ų6155%0.55133%0.331SS*.Hα-helixtrans-61.3-48174.9-179.7-80.3000112.7T361 Y365 D366 E367T361-H363 PolarHBondContact O-N 3.39Å; H363-Y365 VanDerWaalsContact C-N 3.26Å; H363-Y365 PolarHBondContact O-N 3.49Å; H363-D366 PolarHBondContact O-N 3.02Å; H363-E367 IonicContact CE1-OE1 2.99Å; H363-E367 PolarHBondContact CE1-OE1 2.87Å; H363-E367 IonicContact CE1-OE2 3.82Å; H363-E367 PolarHBondContact CE1-OE2 3.09Å; H363-E367 IonicContact ND1-OE1 3.32Å; H363-E367 IonicContact ND1-OE2 2.88Å; H363-E367 IonicContact NE2-OE1 3.21Å; H363-E367 WeakPolarHBondContact O-CG 3.33Å; H363-E367 PolarHBondContact O-N 3.28Å; H363-E367 VanDerWaalsContact O-N 3.12Å
364E97.8Very high95.8Very high44 Ų4458.3 Ų58.321%0.20631%0.308CS..Hα-helixtrans-63.4-35177.4-71.5168.4128.600112T361 S368 I372 K376T361-E364 PolarHBondContact N-OE2 3.14Å; T361-E364 PolarHBondContact O-N 2.59Å; T361-E364 VanDerWaalsContact O-N 3.09Å; T361-E364 WeakPolarHBondContact OG1-CG 3.25Å; T361-E364 PolarHBondContact OG1-N 3.23Å; T361-E364 PolarHBondContact OG1-OE2 3.3Å; E364-S368 WeakPolarHBondContact O-CB 3.47Å; E364-S368 PolarHBondContact O-N 3.16Å; E364-I372 HydrophobicContact CB-CG1 4.36Å; E364-K376 WeakPolarHBondContact OE1-CE 3.48Å; E364-K376 IonicContact OE1-NZ 3.55Å; E364-K376 PolarHBondContact OE1-NZ 3.29Å; E364-K376 IonicContact OE2-NZ 3.63Å
365Y98.1Very high96Very high12 Ų1261.1 Ų61.15%0.04731%0.306CS..Hα-helixtrans-64.1-48.7172.3175.8-97.4000112T123 F127 E128 T361 K362 H363 E367 S368 G369 P370T123-Y365 HydrophobicContact CG2-CD2 3.8Å; T123-Y365 HydrophobicContact CG2-CE2 3.98Å; F127-Y365 HydrophobicContact CB-CD1 3.68Å; F127-Y365 HydrophobicContact CB-CD2 4.37Å; F127-Y365 HydrophobicContact CB-CE1 3.76Å; F127-Y365 HydrophobicContact CB-CE2 4.4Å; F127-Y365 HydrophobicContact CB-CG 4Å; F127-Y365 HydrophobicContact CD1-CG 4.49Å; F127-Y365 AromaticContact CD2-CD1 3.96Å; F127-Y365 HydrophobicContact CD2-CD1 3.96Å; F127-Y365 AromaticContact CD2-CD2 3.35Å; F127-Y365 HydrophobicContact CD2-CD2 3.35Å; F127-Y365 AromaticContact CD2-CE2 3.95Å; F127-Y365 HydrophobicContact CD2-CE2 3.95Å; F127-Y365 AromaticContact CD2-CG 3.34Å; F127-Y365 HydrophobicContact CD2-CG 3.34Å; F127-Y365 AromaticContact CE2-CD2 3.88Å; F127-Y365 HydrophobicContact CE2-CD2 3.88Å; F127-Y365 AromaticContact CE2-CG 3.85Å; F127-Y365 HydrophobicContact CE2-CG 3.85Å; F127-Y365 AromaticContact CG-CD1 3.86Å; F127-Y365 HydrophobicContact CG-CD1 3.86Å; F127-Y365 HydrophobicContact CG-CD2 4.11Å; F127-Y365 HydrophobicContact CG-CE1 4.39Å; F127-Y365 AromaticContact CG-CG 3.71Å; F127-Y365 HydrophobicContact CG-CG 3.71Å; E128-Y365 HydrophobicContact CG-CE1 4.13Å; E128-Y365 PolarHBondContact OE1-OH 3.23Å; T361-Y365 PolarHBondContact O-N 3.42Å; K362-Y365 WeakPolarHBondContact O-CB 3.42Å; K362-Y365 PolarHBondContact O-N 2.75Å; H363-Y365 VanDerWaalsContact C-N 3.26Å; H363-Y365 PolarHBondContact O-N 3.49Å; Y365-E367 PolarHBondContact O-N 2.85Å; Y365-S368 PolarHBondContact O-N 3.26Å; Y365-G369 WeakPolarHBondContact O-CA 3.43Å; Y365-G369 PolarHBondContact O-N 3.18Å; Y365-P370 HydrophobicContact CE2-CB 4.29Å; Y365-P370 HydrophobicContact CE2-CG 3.83Å
366D97.9Very high96.1Very high114 Ų11462.9 Ų62.961%0.6131%0.314SS*.Hα-helixtrans-60.7-31.3-179.8-67.4-24.5000111.8K362 H363K362-D366 PolarHBondContact O-N 3.02Å; H363-D366 PolarHBondContact O-N 3.02Å
367E97.6Very high96.2Very high139 Ų13958.1 Ų58.165%0.6529%0.289SS*.Hα-helixtrans-79.7-39.2176.9-71.2-174.2145.900114.4H363 Y365H363-E367 IonicContact CE1-OE1 2.99Å; H363-E367 PolarHBondContact CE1-OE1 2.87Å; H363-E367 IonicContact CE1-OE2 3.82Å; H363-E367 PolarHBondContact CE1-OE2 3.09Å; H363-E367 IonicContact ND1-OE1 3.32Å; H363-E367 IonicContact ND1-OE2 2.88Å; H363-E367 IonicContact NE2-OE1 3.21Å; H363-E367 WeakPolarHBondContact O-CG 3.33Å; H363-E367 PolarHBondContact O-N 3.28Å; H363-E367 VanDerWaalsContact O-N 3.12Å; Y365-E367 PolarHBondContact O-N 2.85Å
368S97.2Very high95.8Very high41 Ų4158.5 Ų58.529%0.28729%0.288SS..Hα-helixtrans-112.1-8.1-169.4-66.10000114.6E364 Y365 S371E364-S368 WeakPolarHBondContact O-CB 3.47Å; E364-S368 PolarHBondContact O-N 3.16Å; Y365-S368 PolarHBondContact O-N 3.26Å; S368-S371 PolarHBondContact O-OG 2.95Å; S368-S371 VanDerWaalsContact O-OG 3.13Å
369G97.4Very high95.9Very high21 Ų2157.9 Ų57.922%0.21629%0.285CS..  trans61.3-166.7-170.400000113.6Y365 S371 I372Y365-G369 WeakPolarHBondContact O-CA 3.43Å; Y365-G369 PolarHBondContact O-N 3.18Å; G369-S371 PolarHBondContact O-N 3.46Å; G369-I372 VanDerWaalsContact O-CG2 3.24Å; G369-I372 WeakPolarHBondContact O-CG2 3.33Å; G369-I372 PolarHBondContact O-N 3.14Å
370P97.2Very high95.9Very high37 Ų3760 Ų6024%0.2430%0.296CS..G310 helixtrans-55.9-26-177.3-27.834.1000115.6E120 Q124 Y365 I372 V373E120-P370 HydrophobicContact CB-CB 3.76Å; E120-P370 HydrophobicContact CG-CB 4.07Å; Q124-P370 HydrophobicContact CB-CG 4.14Å; Y365-P370 HydrophobicContact CE2-CB 4.29Å; Y365-P370 HydrophobicContact CE2-CG 3.83Å; P370-I372 PolarHBondContact O-N 3.37Å; P370-I372 VanDerWaalsContact O-N 3.14Å; P370-V373 WeakPolarHBondContact O-CG1 3.45Å; P370-V373 PolarHBondContact O-N 2.7Å
371S97.3Very high95.8Very high48 Ų4863.3 Ų63.334%0.33631%0.313SS..G310 helixtrans-65.7-15.2-176.974.80000114.4S368 G369 V373 H374S368-S371 PolarHBondContact O-OG 2.95Å; S368-S371 VanDerWaalsContact O-OG 3.13Å; G369-S371 PolarHBondContact O-N 3.46Å; S371-V373 PolarHBondContact O-N 3.22Å; S371-V373 VanDerWaalsContact O-N 3.16Å; S371-H374 PolarHBondContact O-CD2 3.24Å; S371-H374 PolarHBondContact O-N 3.26Å; S371-H374 VanDerWaalsContact O-N 3.14Å
372I97.4Very high95.6Very high11 Ų1163.8 Ų63.86%0.05631%0.311CS..G310 helixtrans-55.7-30.2177-16954.4000112.8T123 I360 E364 G369 P370 H374 R375 K376T123-I372 HydrophobicContact CG2-CG2 4.41Å; I360-I372 HydrophobicContact CD1-CG2 4.37Å; I360-I372 HydrophobicContact CG2-CG1 4.13Å; I360-I372 HydrophobicContact CG2-CG2 3.58Å; E364-I372 HydrophobicContact CB-CG1 4.36Å; G369-I372 VanDerWaalsContact O-CG2 3.24Å; G369-I372 WeakPolarHBondContact O-CG2 3.33Å; G369-I372 PolarHBondContact O-N 3.14Å; P370-I372 PolarHBondContact O-N 3.37Å; P370-I372 VanDerWaalsContact O-N 3.14Å; I372-H374 PolarHBondContact O-N 3.5Å; I372-R375 HydrophobicContact CD1-CB 4.44Å; I372-R375 PolarHBondContact O-N 3.33Å; I372-K376 HydrophobicContact CD1-CG 4.44Å; I372-K376 HydrophobicContact CG1-CG 4.45Å; I372-K376 PolarHBondContact O-N 3.12Å
373V97.1Very high95.5Very high0 Ų063.3 Ų63.30%031%0.311CS..Hα-helixtrans-57.1-33.4178.872.10000112.7R119 E120 T123 V137 I360 P370 S371 R375 K376 C377R119-V373 HydrophobicContact CB-CG1 3.71Å; R119-V373 HydrophobicContact CB-CG2 4.22Å; E120-V373 HydrophobicContact CG-CG1 4.43Å; T123-V373 WeakPolarHBondContact OG1-CB 3.07Å; V137-V373 HydrophobicContact CB-CG2 4.28Å; V137-V373 HydrophobicContact CG2-CG2 3.94Å; I360-V373 HydrophobicContact CD1-CB 4.11Å; I360-V373 HydrophobicContact CD1-CG2 4.15Å; P370-V373 WeakPolarHBondContact O-CG1 3.45Å; P370-V373 PolarHBondContact O-N 2.7Å; S371-V373 PolarHBondContact O-N 3.22Å; S371-V373 VanDerWaalsContact O-N 3.16Å; V373-R375 PolarHBondContact O-N 2.72Å; V373-K376 PolarHBondContact O-N 3.13Å; V373-C377 HydrophobicContact CG2-CB 4.05Å; V373-C377 WeakPolarHBondContact O-CB 3.24Å; V373-C377 PolarHBondContact O-N 3.04Å
374H95.7Very high95.4Very high42 Ų4259.6 Ų59.619%0.19430%0.295CS..Hα-helixtrans-75.1-13.7179.2-54.1-52.2000113.8K116 E120 S371 I372K116-H374 VanDerWaalsContact CB-CE1 3.45Å; K116-H374 WeakPolarHBondContact CB-CE1 3.11Å; K116-H374 PolarHBondContact O-CE1 3.03Å; E120-H374 WeakPolarHBondContact CG-NE2 3.49Å; E120-H374 IonicContact OE1-CD2 3.97Å; E120-H374 PolarHBondContact OE1-CD2 2.76Å; E120-H374 IonicContact OE1-CE1 3.49Å; E120-H374 IonicContact OE1-NE2 3.13Å; E120-H374 PolarHBondContact OE1-NE2 2.95Å; S371-H374 PolarHBondContact O-CD2 3.24Å; S371-H374 PolarHBondContact O-N 3.26Å; S371-H374 VanDerWaalsContact O-N 3.14Å; I372-H374 PolarHBondContact O-N 3.5Å
375R93.6Very high95.2Very high165 Ų16560.7 Ų60.762%0.62330%0.302SS*.Hα-helixtrans-97.6-24178-61.6-176.9-176.3167.32.8112.8I372 V373 F378I372-R375 HydrophobicContact CD1-CB 4.44Å; I372-R375 PolarHBondContact O-N 3.33Å; V373-R375 PolarHBondContact O-N 2.72Å; R375-F378 VanDerWaalsContact O-CE2 3.22Å; R375-F378 WeakPolarHBondContact O-CE2 3.22Å; R375-F378 WeakPolarHBondContact O-CZ 3.06Å
376K93.1Very high95Very high47 Ų4764.5 Ų64.520%0.20432%0.321CS..Hα-helixtrans-107.4-34.9-174-76.8-81.9-170138.70113.1I360 E364 I372 V373I360-K376 HydrophobicContact CD1-CB 4.19Å; I360-K376 HydrophobicContact CG1-CB 3.71Å; I360-K376 HydrophobicContact CG1-CG 4.03Å; E364-K376 WeakPolarHBondContact OE1-CE 3.48Å; E364-K376 IonicContact OE1-NZ 3.55Å; E364-K376 PolarHBondContact OE1-NZ 3.29Å; E364-K376 IonicContact OE2-NZ 3.63Å; I372-K376 HydrophobicContact CD1-CG 4.44Å; I372-K376 HydrophobicContact CG1-CG 4.45Å; I372-K376 PolarHBondContact O-N 3.12Å; V373-K376 PolarHBondContact O-N 3.13Å
377C91.9Very high94.8Very high1 Ų160.3 Ų60.31%0.00730%0.297CS..  trans-106.3104.9-176.6-56.70000109.8R119 Y136 V137 V373R119-C377 VanDerWaalsContact CZ-O 3.3Å; R119-C377 PolarHBondContact NH1-O 3.13Å; R119-C377 PolarHBondContact NH2-O 3.49Å; Y136-C377 WeakPolarHBondContact CD2-SG 3.18Å; Y136-C377 HydrophobicContact CE2-CB 4.22Å; Y136-C377 WeakPolarHBondContact CE2-SG 3.39Å; V137-C377 HydrophobicContact CB-CB 4.48Å; V137-C377 PolarHBondContact N-SG 3.04Å; V137-C377 VanDerWaalsContact N-SG 3.41Å; V137-C377 WeakPolarHBondContact O-CB 3.22Å; V373-C377 HydrophobicContact CG2-CB 4.05Å; V373-C377 WeakPolarHBondContact O-CB 3.24Å; V373-C377 PolarHBondContact O-N 3.04Å
378F81.8Confident94.5Very high172 Ų17253.2 Ų53.275%0.75427%0.265SS*.  trans-99.10-179.2-62.3-77.5000113.1R375R375-F378 VanDerWaalsContact O-CE2 3.22Å; R375-F378 WeakPolarHBondContact O-CE2 3.22Å; R375-F378 WeakPolarHBondContact O-CZ 3.06Å

Retrieved 378 of 378 residues in 79.3 ms (Link to these results)

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