Q9AQV6_ORYSJ Loading...

Os01g0283700 protein

AlphaFold DB , UniProt , Accession Q9AQV6, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene OSJNBa0004B13.15, Length 328 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
1M33.9Very low72.5Confident232 Ų23291.1 Ų91.1100%1.14350%0.502SS*.  01200-68.6177.7-142.900106.8T3M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.06Å
2V41.9Very low74.7Confident154 Ų15483.5 Ų83.593%0.93346%0.46SS*.  trans-73.495.4170.1179.20000105.6
3T52.9Low76.5Confident111 Ų11177.3 Ų77.368%0.68143%0.426SS*.PPolyproline II helixtrans-63.9133.6170.246.30000107.5M1M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.06Å
4G60.8Low78Confident70 Ų7073.4 Ų73.472%0.72241%0.412SS*.PPolyproline II helixtrans-50148.1179.100000111.8
5R63.4Low79.4Confident88 Ų8868.5 Ų68.533%0.33238%0.384SS..PPolyproline II helixtrans-62.9139179.6-156.4169.6-156167.523.8109.6G31 F33 G54 E57 G58R5-G31 WeakPolarHBondContact CG-O 3.38Å; R5-F33 HydrophobicContact CG-CE2 4.17Å; R5-F33 HydrophobicContact CG-CZ 4.39Å; R5-G54 PolarHBondContact NH2-O 2.88Å; R5-G54 VanDerWaalsContact NH2-O 3.15Å; R5-E57 PolarHBondContact NH1-O 2.76Å; R5-G58 VanDerWaalsContact CZ-CA 3.48Å
6S70.3Confident80.5Confident33 Ų3365.1 Ų65.123%0.23137%0.369CS..PPolyproline II helixtrans-61.6135.9169.2-179.90000108.6Q8 G31S6-Q8 PolarHBondContact O-N 3.25Å; S6-Q8 WeakPolarHBondContact OG-CB 2.93Å; S6-Q8 PolarHBondContact OG-N 2.81Å; S6-Q8 VanDerWaalsContact OG-N 3.17Å; S6-G31 WeakPolarHBondContact CB-O 3.36Å; S6-G31 PolarHBondContact N-O 3.17Å
7E84.2Confident81.5Confident191 Ų19163.2 Ų63.289%0.89337%0.368SS*.SBendtrans-72.5-3.2171.2-63.7-172.4156.500112
8Q95.1Very high82.5Confident74 Ų7460.5 Ų60.535%0.34635%0.351SS..  trans-83.5139.2-177.3-63-169.3-13.500113.2S6 Y32 F33 D80S6-Q8 PolarHBondContact O-N 3.25Å; S6-Q8 WeakPolarHBondContact OG-CB 2.93Å; S6-Q8 PolarHBondContact OG-N 2.81Å; S6-Q8 VanDerWaalsContact OG-N 3.17Å; Q8-Y32 HydrophobicContact CB-CD1 3.86Å; Q8-Y32 HydrophobicContact CB-CE1 3.85Å; Q8-F33 PolarHBondContact O-N 3.48Å; Q8-F33 VanDerWaalsContact O-N 3.1Å; Q8-D80 WeakPolarHBondContact CA-OD2 3.29Å; Q8-D80 HydrophobicContact CB-CB 4.39Å; Q8-D80 WeakPolarHBondContact CB-OD2 3.31Å
9M97.2Very high83.3Confident49 Ų4958.7 Ų58.724%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-107.2128.5173.6-174.1170.4-64.400110F33 R35 C79 D80M9-F33 CarbonylContact C-O 3.42Å; M9-F33 WeakPolarHBondContact CA-O 3.44Å; M9-F33 HydrophobicContact CB-CB 4.39Å; M9-F33 HydrophobicContact CE-CB 4.27Å; M9-F33 HydrophobicContact CG-CB 4.37Å; M9-R35 HydrophobicContact CG-CG 4.31Å; M9-R35 HydrophobicContact SD-CG 4.08Å; M9-R35 PolarHBondContact SD-NE 3.19Å; M9-C79 CarbonylContact O-C 3.47Å; M9-C79 VanDerWaalsContact O-CA 3.25Å; M9-C79 WeakPolarHBondContact O-CA 3.34Å; M9-D80 PolarHBondContact N-OD2 2.83Å; M9-D80 PolarHBondContact O-N 2.94Å
10V98.5Very high84.1Confident0 Ų055.9 Ų55.90%032%0.323CS..EExtended strand (participates in β ladder)trans-125.7148.4178.5-630000110.9L27 Y32 F33 V34 R35 G81 F83 Y235V10-L27 HydrophobicContact CG2-CD1 3.88Å; V10-L27 HydrophobicContact CG2-CD2 4.35Å; V10-Y32 HydrophobicContact CG1-CD1 3.86Å; V10-Y32 HydrophobicContact CG1-CE1 4.18Å; V10-Y32 HydrophobicContact CG2-CD1 4.28Å; V10-Y32 HydrophobicContact CG2-CG 4.31Å; V10-F33 PolarHBondContact N-O 3.28Å; V10-V34 HydrophobicContact CG2-CG2 4.18Å; V10-V34 CarbonylContact O-C 3.6Å; V10-V34 WeakPolarHBondContact O-CA 3.46Å; V10-R35 PolarHBondContact O-N 3.3Å; V10-G81 CarbonylContact C-O 3.56Å; V10-G81 VanDerWaalsContact CA-O 3.3Å; V10-G81 WeakPolarHBondContact CA-O 3.48Å; V10-F83 HydrophobicContact CB-CD2 4.24Å; V10-F83 HydrophobicContact CB-CE2 3.86Å; V10-F83 HydrophobicContact CG1-CE2 4.06Å; V10-F83 HydrophobicContact CG2-CD2 4.49Å; V10-F83 HydrophobicContact CG2-CE2 4.07Å; V10-Y235 HydrophobicContact CG1-CE1 4.13Å
11C98.8Very high84.8Confident0 Ų053.2 Ų53.20%031%0.308CS..EExtended strand (participates in β ladder)trans-109.2137.4175.8-170.80000111.3R35 F76 C79 G81 V82 F83C11-R35 CarbonylContact C-O 3.51Å; C11-R35 VanDerWaalsContact CA-O 3.3Å; C11-R35 WeakPolarHBondContact CA-O 3.41Å; C11-R35 HydrophobicContact CB-CB 4.16Å; C11-R35 PolarHBondContact SG-O 2.86Å; C11-R35 VanDerWaalsContact SG-O 3.33Å; C11-F76 HydrophobicContact CB-CD1 3.77Å; C11-F76 HydrophobicContact CB-CE1 4.15Å; C11-F76 VanDerWaalsContact SG-CD1 3.56Å; C11-C79 HydrophobicContact CB-CB 4.47Å; C11-G81 PolarHBondContact N-O 2.81Å; C11-V82 HydrophobicContact CB-CG2 4.21Å; C11-V82 CarbonylContact O-C 3.44Å; C11-V82 WeakPolarHBondContact O-CA 3.49Å; C11-F83 PolarHBondContact O-N 2.73Å
12V98.9Very high87.9Confident0 Ų043.2 Ų43.20%026%0.257CS..EExtended strand (participates in β ladder)trans-117.8111.5176-178.10000109A15 L23 V24 L27 V34 R35 A37 F83 V85V12-A15 HydrophobicContact CB-CB 4.3Å; V12-A15 HydrophobicContact CG1-CB 4.26Å; V12-L23 HydrophobicContact CG1-CD2 4.08Å; V12-L23 HydrophobicContact CG2-CD2 4.34Å; V12-L23 HydrophobicContact CG2-CG 4.32Å; V12-V24 HydrophobicContact CB-CG2 4.25Å; V12-V24 HydrophobicContact CG1-CG2 4.36Å; V12-V24 HydrophobicContact CG2-CG2 4.27Å; V12-L27 HydrophobicContact CG2-CD1 3.64Å; V12-V34 HydrophobicContact CG2-CG1 3.98Å; V12-R35 PolarHBondContact N-O 3.42Å; V12-A37 PolarHBondContact O-N 2.74Å; V12-F83 WeakPolarHBondContact CA-O 3.33Å; V12-F83 HydrophobicContact CG1-CB 4.49Å; V12-F83 HydrophobicContact CG2-CB 4.16Å; V12-F83 HydrophobicContact CG2-CD2 4.21Å; V12-F83 HydrophobicContact CG2-CG 4.48Å; V12-V85 HydrophobicContact CG1-CG2 4.09Å
13T98.7Very high90.6Very high3 Ų335.9 Ų35.92%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-77.7136.6173.479.40000110.1A15 A37 F76 F83 H84 V85 A86T13-A15 VanDerWaalsContact C-N 3.33Å; T13-A37 HydrophobicContact CG2-CB 4.45Å; T13-F76 HydrophobicContact CG2-CE1 3.85Å; T13-F76 HydrophobicContact CG2-CZ 3.83Å; T13-F83 PolarHBondContact N-O 2.81Å; T13-H84 WeakPolarHBondContact OG1-CA 3.49Å; T13-H84 PolarHBondContact OG1-ND1 2.93Å; T13-V85 WeakPolarHBondContact O-CB 3.45Å; T13-V85 PolarHBondContact O-N 2.87Å; T13-V85 PolarHBondContact OG1-N 3.47Å; T13-A86 PolarHBondContact O-N 3.08Å; T13-A86 VanDerWaalsContact OG1-CB 3.25Å; T13-A86 WeakPolarHBondContact OG1-CB 3.33Å; T13-A86 PolarHBondContact OG1-N 2.66Å; T13-A86 VanDerWaalsContact OG1-N 3.13Å
14G97.7Very high92.8Very high22 Ų2230.6 Ų30.623%0.22718%0.181CC..THydrogen-bonded Turntrans73.529.4-176.500000112.3G16 G17 A37G14-G16 PolarHBondContact O-N 3.36Å; G14-G17 PolarHBondContact O-N 3.46Å; G14-A37 PolarHBondContact N-O 2.94Å
15A98.4Very high94.6Very high0 Ų030.6 Ų30.60%016%0.161CC..THydrogen-bonded Turntrans-54.2-32.8-177.300000114V12 T13 G17 G20 S21 V24 G36 M38 L49V12-A15 HydrophobicContact CB-CB 4.3Å; V12-A15 HydrophobicContact CG1-CB 4.26Å; T13-A15 VanDerWaalsContact C-N 3.33Å; A15-G17 VanDerWaalsContact C-N 3.27Å; A15-G17 PolarHBondContact O-N 3.03Å; A15-G20 CarbonylContact O-C 3.36Å; A15-S21 VanDerWaalsContact O-CA 3.28Å; A15-S21 WeakPolarHBondContact O-CA 3.29Å; A15-S21 PolarHBondContact O-N 3.36Å; A15-S21 PolarHBondContact O-OG 2.83Å; A15-V24 HydrophobicContact CB-CG2 3.78Å; A15-G36 VanDerWaalsContact CB-CA 3.48Å; A15-M38 HydrophobicContact CB-CE 3.84Å; A15-L49 HydrophobicContact CB-CD1 4.32Å
16G97.7Very high96.2Very high14 Ų1428 Ų2814%0.14415%0.153CC..THydrogen-bonded Turntrans-77.7-3.9176.200000115.3G14 S21 Q193G14-G16 PolarHBondContact O-N 3.36Å; G16-S21 PolarHBondContact O-OG 2.99Å; G16-Q193 WeakPolarHBondContact O-CB 3.31Å
17G97.7Very high97.6Very high33 Ų3326.5 Ų26.534%0.3414%0.142SC..SBendtrans-80.4177.2-179.700000113.6G14 A15 G20 S21G14-G17 PolarHBondContact O-N 3.46Å; A15-G17 VanDerWaalsContact C-N 3.27Å; A15-G17 PolarHBondContact O-N 3.03Å; G17-G20 PolarHBondContact O-N 2.94Å; G17-S21 VanDerWaalsContact O-CB 3.31Å; G17-S21 WeakPolarHBondContact O-CB 3.46Å; G17-S21 PolarHBondContact O-N 3.25Å; G17-S21 PolarHBondContact O-OG 3.27Å
18F98.5Very high98.2Very high15 Ų1517.9 Ų17.97%0.06610%0.102CC..Hα-helixtrans-58-56.8-176.7-179.5-132.4000113.7T187 E190 M191 N197 V200 V224F18-T187 HydrophobicContact CD1-CG2 4.38Å; F18-T187 HydrophobicContact CE1-CG2 3.74Å; F18-E190 WeakPolarHBondContact CE2-O 3.42Å; F18-M191 HydrophobicContact CD2-CG 4.12Å; F18-M191 HydrophobicContact CE2-CB 4.48Å; F18-M191 HydrophobicContact CE2-CG 3.9Å; F18-N197 HydrophobicContact CB-CB 4.09Å; F18-N197 WeakPolarHBondContact CD1-ND2 3.48Å; F18-V200 HydrophobicContact CE1-CG2 4.02Å; F18-V200 HydrophobicContact CE2-CG2 4.14Å; F18-V200 HydrophobicContact CZ-CG2 3.75Å; F18-V224 HydrophobicContact CD1-CG2 4.08Å; F18-V224 HydrophobicContact CD2-CG2 4.13Å; F18-V224 HydrophobicContact CE1-CB 3.91Å; F18-V224 HydrophobicContact CE1-CG2 3.86Å; F18-V224 HydrophobicContact CE2-CB 4.03Å; F18-V224 HydrophobicContact CE2-CG1 4Å; F18-V224 HydrophobicContact CE2-CG2 3.9Å; F18-V224 HydrophobicContact CG-CG2 4.23Å; F18-V224 HydrophobicContact CZ-CB 3.57Å; F18-V224 HydrophobicContact CZ-CG1 3.87Å; F18-V224 HydrophobicContact CZ-CG2 3.77Å
19I98.7Very high98.3Very high27 Ų2721.7 Ų21.714%0.13812%0.119CC..Hα-helixtrans-71.3-41.9175.8-67166.3000110.3S21 W22 L23 V85 T121 T187 V224 V227I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 2.95Å; I19-W22 PolarHBondContact O-N 3.23Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 PolarHBondContact O-N 2.8Å; I19-V85 HydrophobicContact CB-CG1 3.93Å; I19-V85 HydrophobicContact CG2-CG1 3.8Å; I19-T121 HydrophobicContact CD1-CG2 4.49Å; I19-T187 HydrophobicContact CG1-CG2 4.29Å; I19-V224 HydrophobicContact CG1-CG2 4.22Å; I19-V227 HydrophobicContact CD1-CG1 4.14Å; I19-V227 HydrophobicContact CG1-CG1 4.28Å; I19-V227 HydrophobicContact CG2-CG1 3.8Å
20G98.6Very high98.3Very high1 Ų122.8 Ų22.81%0.0112%0.121CC..Hα-helixtrans-56.2-41.7-177.700000113.1A15 G17 L23 V24A15-G20 CarbonylContact O-C 3.36Å; G17-G20 PolarHBondContact O-N 2.94Å; G20-L23 PolarHBondContact O-N 2.72Å; G20-V24 VanDerWaalsContact O-CG2 3.32Å; G20-V24 WeakPolarHBondContact O-CG2 3.41Å; G20-V24 PolarHBondContact O-N 3.23Å
21S98.7Very high98.2Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-67.3-41.8-177.5-54.10000111.8A15 G16 G17 I19 V24 K25 H48A15-S21 VanDerWaalsContact O-CA 3.28Å; A15-S21 WeakPolarHBondContact O-CA 3.29Å; A15-S21 PolarHBondContact O-N 3.36Å; A15-S21 PolarHBondContact O-OG 2.83Å; G16-S21 PolarHBondContact O-OG 2.99Å; G17-S21 VanDerWaalsContact O-CB 3.31Å; G17-S21 WeakPolarHBondContact O-CB 3.46Å; G17-S21 PolarHBondContact O-N 3.25Å; G17-S21 PolarHBondContact O-OG 3.27Å; I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 2.95Å; S21-V24 PolarHBondContact O-N 3.1Å; S21-K25 PolarHBondContact O-N 2.95Å; S21-H48 PolarHBondContact OG-NE2 3.15Å
22W98.8Very high98.1Very high22 Ų2224 Ų248%0.08313%0.129CC..Hα-helixtrans-68.9-35.3174.9-83.6104.2000112.3I19 K25 E26 E190 L192 V224 R225 A228I19-W22 PolarHBondContact O-N 3.23Å; W22-K25 HydrophobicContact CE3-CD 3.93Å; W22-K25 HydrophobicContact CZ3-CD 3.75Å; W22-K25 PolarHBondContact O-N 2.97Å; W22-E26 WeakPolarHBondContact O-CB 3.19Å; W22-E26 PolarHBondContact O-N 3.21Å; W22-E190 HydrophobicContact CZ2-CB 4.03Å; W22-E190 HydrophobicContact CZ2-CG 4.15Å; W22-E190 PolarHBondContact NE1-O 3.09Å; W22-L192 HydrophobicContact CD2-CD1 3.76Å; W22-L192 HydrophobicContact CD2-CG 4.15Å; W22-L192 HydrophobicContact CE3-CD1 4.22Å; W22-L192 HydrophobicContact CG-CD1 3.93Å; W22-L192 HydrophobicContact CG-CG 4.36Å; W22-L192 HydrophobicContact CH2-CD2 4.36Å; W22-L192 HydrophobicContact CZ2-CD1 4.38Å; W22-L192 HydrophobicContact CZ2-CD2 3.83Å; W22-L192 HydrophobicContact CZ2-CG 4.06Å; W22-V224 HydrophobicContact CB-CG2 4.18Å; W22-V224 VanDerWaalsContact CD1-CG1 3.41Å; W22-V224 VanDerWaalsContact CD1-CG2 3.46Å; W22-V224 HydrophobicContact CD2-CG1 4.36Å; W22-V224 HydrophobicContact CG-CG1 4.02Å; W22-V224 HydrophobicContact CG-CG2 4.01Å; W22-V224 VanDerWaalsContact NE1-CG1 3.33Å; W22-R225 HydrophobicContact CD2-CG 3.85Å; W22-R225 HydrophobicContact CE3-CG 3.62Å; W22-R225 HydrophobicContact CH2-CG 3.75Å; W22-R225 HydrophobicContact CZ2-CG 3.97Å; W22-R225 HydrophobicContact CZ3-CG 3.56Å; W22-A228 HydrophobicContact CB-CB 3.91Å
23L98.9Very high98.1Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-65.8-43174.8-17955.7000111.9V12 I19 G20 K25 E26 L27 F83 V85 A228 H231V12-L23 HydrophobicContact CG1-CD2 4.08Å; V12-L23 HydrophobicContact CG2-CD2 4.34Å; V12-L23 HydrophobicContact CG2-CG 4.32Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 PolarHBondContact O-N 2.8Å; G20-L23 PolarHBondContact O-N 2.72Å; L23-K25 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 3.36Å; L23-E26 PolarHBondContact O-N 2.89Å; L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CG 3.97Å; L23-L27 HydrophobicContact CG-CD1 3.83Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.2Å; L23-F83 HydrophobicContact CD1-CD1 4.37Å; L23-F83 HydrophobicContact CD1-CE1 4.47Å; L23-F83 HydrophobicContact CD2-CB 3.65Å; L23-F83 HydrophobicContact CD2-CD1 3.79Å; L23-F83 HydrophobicContact CD2-CG 3.82Å; L23-V85 HydrophobicContact CD2-CG2 3.76Å; L23-A228 HydrophobicContact CB-CB 4.38Å; L23-H231 HydrophobicContact CD1-CB 3.7Å; L23-H231 HydrophobicContact CD2-CB 4.16Å
24V98.8Very high98.1Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-57.9-47.6172.3171.60000110.2V12 A15 G20 S21 E26 L27 L28 V34 L52 L59V12-V24 HydrophobicContact CB-CG2 4.25Å; V12-V24 HydrophobicContact CG1-CG2 4.36Å; V12-V24 HydrophobicContact CG2-CG2 4.27Å; A15-V24 HydrophobicContact CB-CG2 3.78Å; G20-V24 VanDerWaalsContact O-CG2 3.32Å; G20-V24 WeakPolarHBondContact O-CG2 3.41Å; G20-V24 PolarHBondContact O-N 3.23Å; S21-V24 PolarHBondContact O-N 3.1Å; V24-E26 PolarHBondContact O-N 3.35Å; V24-L27 PolarHBondContact O-N 3.2Å; V24-L28 HydrophobicContact CG1-CD1 3.8Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.92Å; V24-V34 HydrophobicContact CG1-CG1 4.22Å; V24-V34 HydrophobicContact CG2-CG1 4.06Å; V24-L52 HydrophobicContact CB-CD1 4.42Å; V24-L52 HydrophobicContact CG1-CD1 3.91Å; V24-L59 HydrophobicContact CG1-CD1 3.84Å; V24-L59 HydrophobicContact CG1-CD2 4.18Å
25K98.6Very high98.1Very high70 Ų7027.5 Ų27.530%0.30414%0.137SC..Hα-helixtrans-58.1-46.3177.4-173.8176.4179.6171.70112.3S21 W22 L23 H29 L52 L192S21-K25 PolarHBondContact O-N 2.95Å; W22-K25 HydrophobicContact CE3-CD 3.93Å; W22-K25 HydrophobicContact CZ3-CD 3.75Å; W22-K25 PolarHBondContact O-N 2.97Å; L23-K25 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 3.36Å; K25-H29 WeakPolarHBondContact O-CB 3.42Å; K25-H29 PolarHBondContact O-N 3.24Å; K25-L52 HydrophobicContact CB-CD1 4.1Å; K25-L52 HydrophobicContact CB-CD2 4.23Å; K25-L52 HydrophobicContact CD-CD2 4.1Å; K25-L52 HydrophobicContact CG-CD2 4.23Å; K25-L192 HydrophobicContact CB-CD1 4.42Å; K25-L192 HydrophobicContact CD-CD1 4.1Å
26E98.4Very high98.1Very high35 Ų3527.5 Ų27.516%0.16414%0.137CC..Hα-helixtrans-62.2-45178.7-179.866.9-17300111.8W22 L23 V24 H29 R30 A228 R229 A232W22-E26 WeakPolarHBondContact O-CB 3.19Å; W22-E26 PolarHBondContact O-N 3.21Å; L23-E26 PolarHBondContact O-N 2.89Å; V24-E26 PolarHBondContact O-N 3.35Å; E26-H29 PolarHBondContact O-N 3.1Å; E26-R30 WeakPolarHBondContact O-CD 3.06Å; E26-R30 VanDerWaalsContact O-CG 3.29Å; E26-R30 WeakPolarHBondContact O-CG 3.47Å; E26-R30 PolarHBondContact O-N 3.05Å; E26-R30 IonicContact OE1-CZ 3.99Å; E26-R30 IonicContact OE1-NE 2.94Å; E26-R30 PolarHBondContact OE1-NE 2.9Å; E26-R30 IonicContact OE1-NH2 3.8Å; E26-R30 PolarHBondContact OE1-NH2 3.07Å; E26-A228 HydrophobicContact CB-CB 4.16Å; E26-R229 WeakPolarHBondContact OE1-CG 3.44Å; E26-A232 HydrophobicContact CG-CB 4.04Å
27L98.4Very high98.1Very high0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-67.4-41.2179.9-69.7166.8000112V10 V12 L23 V24 H29 R30 G31 Y32 V34 F83V10-L27 HydrophobicContact CG2-CD1 3.88Å; V10-L27 HydrophobicContact CG2-CD2 4.35Å; V12-L27 HydrophobicContact CG2-CD1 3.64Å; L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CG 3.97Å; L23-L27 HydrophobicContact CG-CD1 3.83Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.2Å; V24-L27 PolarHBondContact O-N 3.2Å; L27-H29 VanDerWaalsContact C-N 3.34Å; L27-R30 CarbonylContact O-C 3.54Å; L27-R30 PolarHBondContact O-N 3.46Å; L27-G31 PolarHBondContact O-N 3.17Å; L27-Y32 HydrophobicContact CB-CD2 4.37Å; L27-Y32 HydrophobicContact CD2-CD2 3.84Å; L27-Y32 HydrophobicContact CD2-CE2 4.14Å; L27-Y32 HydrophobicContact CD2-CG 4.31Å; L27-Y32 WeakPolarHBondContact O-CB 3.38Å; L27-Y32 WeakPolarHBondContact O-CD2 3.44Å; L27-Y32 PolarHBondContact O-N 2.8Å; L27-V34 HydrophobicContact CB-CG2 3.68Å; L27-F83 HydrophobicContact CD1-CD2 3.93Å; L27-F83 HydrophobicContact CD1-CE2 3.77Å; L27-F83 HydrophobicContact CD1-CZ 4.27Å; L27-F83 HydrophobicContact CD2-CE2 3.93Å; L27-F83 HydrophobicContact CD2-CZ 3.83Å
28L98.1Very high98.1Very high10 Ų1026.1 Ų26.15%0.05212%0.119CC..Hα-helixtrans-62.4-42.4173.9-70.2172.2000111.4V24 R30 G31 V34 L52 A55 L59V24-L28 HydrophobicContact CG1-CD1 3.8Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.92Å; L28-R30 VanDerWaalsContact C-N 3.25Å; L28-R30 PolarHBondContact O-N 3.43Å; L28-G31 WeakPolarHBondContact O-CA 3.38Å; L28-G31 PolarHBondContact O-N 2.68Å; L28-V34 HydrophobicContact CD2-CB 4.3Å; L28-V34 HydrophobicContact CD2-CG2 3.92Å; L28-V34 HydrophobicContact CG-CG2 4.09Å; L28-L52 HydrophobicContact CD1-CB 4.22Å; L28-L52 HydrophobicContact CD1-CD1 4.43Å; L28-A55 HydrophobicContact CD1-CB 4.05Å; L28-L59 HydrophobicContact CD1-CB 4.38Å; L28-L59 HydrophobicContact CD2-CB 4.4Å
29H96.7Very high98Very high154 Ų15433.3 Ų33.371%0.71315%0.145SC*.Hα-helixtrans-61.3-35176.2-178.965.5000112.5K25 E26 L27 G31K25-H29 WeakPolarHBondContact O-CB 3.42Å; K25-H29 PolarHBondContact O-N 3.24Å; E26-H29 PolarHBondContact O-N 3.1Å; L27-H29 VanDerWaalsContact C-N 3.34Å; H29-G31 PolarHBondContact O-N 3.3Å
30R96.4Very high97.8Very high72 Ų7237.5 Ų37.527%0.27216%0.164SC..THydrogen-bonded Turntrans-781.1173.6-69.6166.7175.4-85.7-5.4113.9E26 L27 L28 Y32 E236E26-R30 WeakPolarHBondContact O-CD 3.06Å; E26-R30 VanDerWaalsContact O-CG 3.29Å; E26-R30 WeakPolarHBondContact O-CG 3.47Å; E26-R30 PolarHBondContact O-N 3.05Å; E26-R30 IonicContact OE1-CZ 3.99Å; E26-R30 IonicContact OE1-NE 2.94Å; E26-R30 PolarHBondContact OE1-NE 2.9Å; E26-R30 IonicContact OE1-NH2 3.8Å; E26-R30 PolarHBondContact OE1-NH2 3.07Å; L27-R30 CarbonylContact O-C 3.54Å; L27-R30 PolarHBondContact O-N 3.46Å; L28-R30 VanDerWaalsContact C-N 3.25Å; L28-R30 PolarHBondContact O-N 3.43Å; R30-Y32 HydrophobicContact CB-CD2 3.82Å; R30-Y32 HydrophobicContact CB-CE2 3.9Å; R30-E236 WeakPolarHBondContact CD-OE1 3.4Å; R30-E236 IonicContact CZ-OE1 3.77Å; R30-E236 IonicContact CZ-OE2 2.68Å; R30-E236 IonicContact NE-OE1 3.14Å; R30-E236 IonicContact NH1-OE1 2.66Å; R30-E236 PolarHBondContact NH1-OE1 3.47Å; R30-E236 IonicContact NH1-OE2 2.96Å; R30-E236 PolarHBondContact NH1-OE2 2.84Å
31G96.4Very high97.7Very high11 Ų1139 Ų3911%0.11317%0.174CC..THydrogen-bonded Turntrans8215.8176.300000114.8R5 S6 L27 L28 H29R5-G31 WeakPolarHBondContact CG-O 3.38Å; S6-G31 WeakPolarHBondContact CB-O 3.36Å; S6-G31 PolarHBondContact N-O 3.17Å; L27-G31 PolarHBondContact O-N 3.17Å; L28-G31 WeakPolarHBondContact O-CA 3.38Å; L28-G31 PolarHBondContact O-N 2.68Å; H29-G31 PolarHBondContact O-N 3.3Å
32Y97.8Very high97.5Very high16 Ų1644 Ų446%0.06322%0.215CC..  trans-73.5152.8173.1-71.3-88.9000112Q8 V10 L27 R30 Y235 E236Q8-Y32 HydrophobicContact CB-CD1 3.86Å; Q8-Y32 HydrophobicContact CB-CE1 3.85Å; V10-Y32 HydrophobicContact CG1-CD1 3.86Å; V10-Y32 HydrophobicContact CG1-CE1 4.18Å; V10-Y32 HydrophobicContact CG2-CD1 4.28Å; V10-Y32 HydrophobicContact CG2-CG 4.31Å; L27-Y32 HydrophobicContact CB-CD2 4.37Å; L27-Y32 HydrophobicContact CD2-CD2 3.84Å; L27-Y32 HydrophobicContact CD2-CE2 4.14Å; L27-Y32 HydrophobicContact CD2-CG 4.31Å; L27-Y32 WeakPolarHBondContact O-CB 3.38Å; L27-Y32 WeakPolarHBondContact O-CD2 3.44Å; L27-Y32 PolarHBondContact O-N 2.8Å; R30-Y32 HydrophobicContact CB-CD2 3.82Å; R30-Y32 HydrophobicContact CB-CE2 3.9Å; Y32-Y235 AromaticContact CE1-CE1 3.88Å; Y32-Y235 HydrophobicContact CE1-CE1 3.88Å; Y32-E236 WeakPolarHBondContact OH-CG 3.42Å; Y32-E236 PolarHBondContact OH-OE1 3.47Å
33F98Very high97.3Very high71 Ų7145 Ų4531%0.31122%0.222SC..EExtended strand (participates in β ladder)trans-82.5129.2156.4-67.2-86000108.9R5 Q8 M9 V10 G58R5-F33 HydrophobicContact CG-CE2 4.17Å; R5-F33 HydrophobicContact CG-CZ 4.39Å; Q8-F33 PolarHBondContact O-N 3.48Å; Q8-F33 VanDerWaalsContact O-N 3.1Å; M9-F33 CarbonylContact C-O 3.42Å; M9-F33 WeakPolarHBondContact CA-O 3.44Å; M9-F33 HydrophobicContact CB-CB 4.39Å; M9-F33 HydrophobicContact CE-CB 4.27Å; M9-F33 HydrophobicContact CG-CB 4.37Å; V10-F33 PolarHBondContact N-O 3.28Å; F33-G58 CarbonylContact C-O 3.58Å
34V98.4Very high97.1Very high3 Ų351.8 Ų51.82%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-117.8125.6-172.9-175.10000110.5V10 V12 V24 L27 L28 G58 L59 S60V10-V34 HydrophobicContact CG2-CG2 4.18Å; V10-V34 CarbonylContact O-C 3.6Å; V10-V34 WeakPolarHBondContact O-CA 3.46Å; V12-V34 HydrophobicContact CG2-CG1 3.98Å; V24-V34 HydrophobicContact CG1-CG1 4.22Å; V24-V34 HydrophobicContact CG2-CG1 4.06Å; L27-V34 HydrophobicContact CB-CG2 3.68Å; L28-V34 HydrophobicContact CD2-CB 4.3Å; L28-V34 HydrophobicContact CD2-CG2 3.92Å; L28-V34 HydrophobicContact CG-CG2 4.09Å; V34-G58 PolarHBondContact N-O 2.92Å; V34-L59 HydrophobicContact CB-CD1 4.09Å; V34-L59 HydrophobicContact CG1-CD1 4.03Å; V34-L59 WeakPolarHBondContact O-CA 3.28Å; V34-L59 WeakPolarHBondContact O-CD1 3.17Å; V34-S60 PolarHBondContact O-N 3.23Å
35R98.3Very high96.9Very high23 Ų2355.4 Ų55.49%0.08727%0.273CS..EExtended strand (participates in β ladder)trans-94.7109.1163.9-67.5-167.7175.7175.710109.8M9 V10 C11 V12 A37 S60 Y62 A74 A75 A77M9-R35 HydrophobicContact CG-CG 4.31Å; M9-R35 HydrophobicContact SD-CG 4.08Å; M9-R35 PolarHBondContact SD-NE 3.19Å; V10-R35 PolarHBondContact O-N 3.3Å; C11-R35 CarbonylContact C-O 3.51Å; C11-R35 VanDerWaalsContact CA-O 3.3Å; C11-R35 WeakPolarHBondContact CA-O 3.41Å; C11-R35 HydrophobicContact CB-CB 4.16Å; C11-R35 PolarHBondContact SG-O 2.86Å; C11-R35 VanDerWaalsContact SG-O 3.33Å; V12-R35 PolarHBondContact N-O 3.42Å; R35-A37 PolarHBondContact O-N 2.85Å; R35-S60 CarbonylContact C-O 3.11Å; R35-S60 VanDerWaalsContact CA-O 3.31Å; R35-S60 WeakPolarHBondContact CA-O 3.4Å; R35-Y62 HydrophobicContact CB-CD2 3.97Å; R35-Y62 HydrophobicContact CB-CE2 4.2Å; R35-Y62 VanDerWaalsContact CD-CE2 3.47Å; R35-Y62 HydrophobicContact CG-CD2 3.94Å; R35-Y62 HydrophobicContact CG-CE2 3.64Å; R35-Y62 PolarHBondContact NE-OH 3.16Å; R35-A74 PolarHBondContact NH1-O 3.37Å; R35-A75 WeakPolarHBondContact CD-O 3.21Å; R35-A75 PolarHBondContact NH1-O 2.84Å; R35-A77 PolarHBondContact NH1-O 2.76Å; R35-A77 PolarHBondContact NH2-O 3.22Å
36G98.6Very high96.8Very high0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-83.3108.7174.700000110.9A15 S60 L61 Y62A15-G36 VanDerWaalsContact CB-CA 3.48Å; G36-S60 PolarHBondContact N-O 2.71Å; G36-L61 CarbonylContact O-C 3.58Å; G36-L61 WeakPolarHBondContact O-CA 3.31Å; G36-Y62 PolarHBondContact O-N 2.93Å
37A98.4Very high96.7Very high3 Ų352.7 Ų52.73%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-95.4125.7-178.400000111.7V12 T13 G14 R35 Y62 A64 A75V12-A37 PolarHBondContact O-N 2.74Å; T13-A37 HydrophobicContact CG2-CB 4.45Å; G14-A37 PolarHBondContact N-O 2.94Å; R35-A37 PolarHBondContact O-N 2.85Å; A37-Y62 WeakPolarHBondContact CA-O 3.28Å; A37-A64 HydrophobicContact CB-CB 3.88Å; A37-A75 HydrophobicContact CB-CB 4.16Å
38M97.2Very high96.7Very high15 Ų1553.9 Ų53.97%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-157.6162-176.761.4-160.870.300112A15 E40 P41 N46 L49 L61 Y62 R63 A64A15-M38 HydrophobicContact CB-CE 3.84Å; M38-E40 PolarHBondContact O-N 3.35Å; M38-P41 HydrophobicContact CG-CB 4.49Å; M38-P41 HydrophobicContact CG-CG 4.2Å; M38-N46 HydrophobicContact SD-CB 3.9Å; M38-N46 PolarHBondContact SD-ND2 2.97Å; M38-N46 PolarHBondContact SD-OD1 3.25Å; M38-L49 HydrophobicContact CE-CD1 3.74Å; M38-L61 HydrophobicContact CE-CB 4.43Å; M38-L61 HydrophobicContact CE-CD1 4.2Å; M38-L61 HydrophobicContact CE-CD2 3.66Å; M38-L61 HydrophobicContact CE-CG 4.31Å; M38-L61 HydrophobicContact SD-CD1 4.17Å; M38-Y62 PolarHBondContact N-O 3.42Å; M38-Y62 VanDerWaalsContact O-O 3.14Å; M38-R63 CarbonylContact O-C 3.49Å; M38-R63 VanDerWaalsContact O-CA 3.25Å; M38-R63 WeakPolarHBondContact O-CA 3.3Å; M38-A64 CarbonylContact C-O 3.57Å; M38-A64 PolarHBondContact O-N 2.86Å
39R95.8Very high96.7Very high166 Ų16653.4 Ų53.463%0.62627%0.272SS*.SBendtrans-64.1-39.8-175.5-69.2-177.9-70.9172.7-0.7113.9A64 D65R39-A64 PolarHBondContact N-O 2.98Å; R39-D65 VanDerWaalsContact CD-OD2 3.3Å; R39-D65 WeakPolarHBondContact CD-OD2 3.27Å; R39-D65 HydrophobicContact CG-CB 4.48Å
40E95.4Very high96.7Very high115 Ų11551.6 Ų51.654%0.53726%0.263SS..  trans-13691.5-176.3-71.3172.2-138.900109.3M38 A42 D43 N46M38-E40 PolarHBondContact O-N 3.35Å; E40-A42 VanDerWaalsContact C-N 3.3Å; E40-A42 PolarHBondContact O-N 2.93Å; E40-D43 HydrophobicContact CB-CB 4.01Å; E40-D43 WeakPolarHBondContact O-CB 3.31Å; E40-D43 PolarHBondContact O-N 3.34Å; E40-N46 PolarHBondContact O-ND2 3.44Å
41P95.5Very high96.7Very high33 Ų3353.8 Ų53.821%0.21428%0.284CS..THydrogen-bonded Turntrans-58.6-36.8-177.8-29.938.1000114.5M38 D43 N46 L61 Y62 R63M38-P41 HydrophobicContact CG-CB 4.49Å; M38-P41 HydrophobicContact CG-CG 4.2Å; P41-D43 VanDerWaalsContact C-N 3.3Å; P41-D43 PolarHBondContact O-N 2.79Å; P41-N46 PolarHBondContact O-ND2 2.94Å; P41-L61 HydrophobicContact CB-CB 3.87Å; P41-Y62 VanDerWaalsContact CG-C 3.44Å; P41-R63 HydrophobicContact CG-CB 4.04Å; P41-R63 VanDerWaalsContact CG-N 3.31Å
42A94.7Very high96.8Very high104 Ų10454.1 Ų54.186%0.8628%0.283SS*.THydrogen-bonded Turntrans-82-2.9-176.700000114.3E40 I44E40-A42 VanDerWaalsContact C-N 3.3Å; E40-A42 PolarHBondContact O-N 2.93Å; A42-I44 PolarHBondContact O-N 2.86Å
43D94.5Very high96.7Very high44 Ų4459.9 Ų59.924%0.23532%0.316CS..SBendtrans-65.3132.8177.7-174.4-34.7000110.3E40 P41 K45 N46E40-D43 HydrophobicContact CB-CB 4.01Å; E40-D43 WeakPolarHBondContact O-CB 3.31Å; E40-D43 PolarHBondContact O-N 3.34Å; P41-D43 VanDerWaalsContact C-N 3.3Å; P41-D43 PolarHBondContact O-N 2.79Å; D43-K45 HydrophobicContact CB-CD 4.38Å; D43-K45 HydrophobicContact CB-CG 4.12Å; D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 WeakPolarHBondContact OD1-CB 3.45Å; D43-K45 WeakPolarHBondContact OD1-CG 3.11Å; D43-K45 PolarHBondContact OD1-N 3Å; D43-K45 VanDerWaalsContact OD2-CD 3.27Å; D43-K45 WeakPolarHBondContact OD2-CD 3.34Å; D43-K45 WeakPolarHBondContact OD2-CE 3.36Å; D43-K45 IonicContact OD2-NZ 2.79Å; D43-K45 PolarHBondContact OD2-NZ 3.29Å; D43-N46 PolarHBondContact O-N 3.21Å; D43-N46 PolarHBondContact O-ND2 2.75Å
44I94.8Very high96.6Very high142 Ų14258 Ų5873%0.72832%0.315SS*.G310 helixtrans-53.5-26.5179.6-168.462.9000112.9A42 N46 A47A42-I44 PolarHBondContact O-N 2.86Å; I44-N46 PolarHBondContact O-N 2.7Å; I44-N46 VanDerWaalsContact O-N 3.07Å; I44-A47 HydrophobicContact CD1-CB 4.1Å; I44-A47 VanDerWaalsContact O-CB 3.23Å; I44-A47 WeakPolarHBondContact O-CB 3.38Å; I44-A47 PolarHBondContact O-N 2.96Å
45K94.3Very high96.6Very high77 Ų7758 Ų5834%0.33532%0.316SS..G310 helixtrans-61.8-15176.179.2-168.1171.3-140.90114D43 H48 P194D43-K45 HydrophobicContact CB-CD 4.38Å; D43-K45 HydrophobicContact CB-CG 4.12Å; D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 WeakPolarHBondContact OD1-CB 3.45Å; D43-K45 WeakPolarHBondContact OD1-CG 3.11Å; D43-K45 PolarHBondContact OD1-N 3Å; D43-K45 VanDerWaalsContact OD2-CD 3.27Å; D43-K45 WeakPolarHBondContact OD2-CD 3.34Å; D43-K45 WeakPolarHBondContact OD2-CE 3.36Å; D43-K45 IonicContact OD2-NZ 2.79Å; D43-K45 PolarHBondContact OD2-NZ 3.29Å; K45-H48 PolarHBondContact O-CE1 3.4Å; K45-H48 PolarHBondContact O-ND1 3.46Å; K45-P194 WeakPolarHBondContact O-CD 3.46Å
46N96.6Very high96.5Very high6 Ų667.7 Ų67.73%0.03235%0.353CS..G310 helixtrans-100-0.7177.9-50.7-54.5000113.1M38 E40 P41 D43 I44 H48 L49 L61M38-N46 HydrophobicContact SD-CB 3.9Å; M38-N46 PolarHBondContact SD-ND2 2.97Å; M38-N46 PolarHBondContact SD-OD1 3.25Å; E40-N46 PolarHBondContact O-ND2 3.44Å; P41-N46 PolarHBondContact O-ND2 2.94Å; D43-N46 PolarHBondContact O-N 3.21Å; D43-N46 PolarHBondContact O-ND2 2.75Å; I44-N46 PolarHBondContact O-N 2.7Å; I44-N46 VanDerWaalsContact O-N 3.07Å; N46-H48 PolarHBondContact O-N 3.21Å; N46-H48 VanDerWaalsContact O-N 3.11Å; N46-L49 HydrophobicContact CB-CD1 4.43Å; N46-L49 WeakPolarHBondContact O-CB 3.49Å; N46-L49 PolarHBondContact O-N 3.34Å; N46-L61 HydrophobicContact CB-CD1 4.4Å
47A96.5Very high96.3Very high42 Ų4273.1 Ų73.135%0.34738%0.378SS..Hα-helixtrans-57.8-28.8-176.200000113.3I44 L49 H50I44-A47 HydrophobicContact CD1-CB 4.1Å; I44-A47 VanDerWaalsContact O-CB 3.23Å; I44-A47 WeakPolarHBondContact O-CB 3.38Å; I44-A47 PolarHBondContact O-N 2.96Å; A47-L49 PolarHBondContact O-N 3.43Å; A47-L49 VanDerWaalsContact O-N 3.17Å; A47-H50 PolarHBondContact O-N 3.42Å
48H97.4Very high96.2Very high24 Ų2473.1 Ų73.111%0.11138%0.378CS..Hα-helixtrans-62.2-20176.566-77.9000113.6S21 K45 N46 V51 L192S21-H48 PolarHBondContact OG-NE2 3.15Å; K45-H48 PolarHBondContact O-CE1 3.4Å; K45-H48 PolarHBondContact O-ND1 3.46Å; N46-H48 PolarHBondContact O-N 3.21Å; N46-H48 VanDerWaalsContact O-N 3.11Å; H48-V51 WeakPolarHBondContact O-CG2 3.47Å; H48-L192 WeakPolarHBondContact CB-O 3.47Å
49L98.2Very high96.2Very high0 Ų073.2 Ų73.20%038%0.379CS..Hα-helixtrans-76.5-32177.4-61.1179000112.5A15 M38 N46 A47 V51 L52 A55 L59 L61A15-L49 HydrophobicContact CB-CD1 4.32Å; M38-L49 HydrophobicContact CE-CD1 3.74Å; N46-L49 HydrophobicContact CB-CD1 4.43Å; N46-L49 WeakPolarHBondContact O-CB 3.49Å; N46-L49 PolarHBondContact O-N 3.34Å; A47-L49 PolarHBondContact O-N 3.43Å; A47-L49 VanDerWaalsContact O-N 3.17Å; L49-V51 VanDerWaalsContact C-N 3.27Å; L49-V51 PolarHBondContact O-N 2.99Å; L49-L52 HydrophobicContact CD2-CD1 4.09Å; L49-L52 WeakPolarHBondContact O-CG 3.35Å; L49-L52 PolarHBondContact O-N 2.87Å; L49-A55 WeakPolarHBondContact O-CB 3.38Å; L49-L59 HydrophobicContact CB-CD2 3.75Å; L49-L59 WeakPolarHBondContact O-CD2 3.42Å; L49-L61 HydrophobicContact CD1-CD2 3.99Å
50H97Very high96.3Very high116 Ų11668.2 Ų68.254%0.53737%0.37SS..Hα-helixtrans-73.1-20-177.4-69.8-64.2000113.5A47 L61A47-H50 PolarHBondContact O-N 3.42Å; H50-L61 WeakPolarHBondContact NE2-CD1 3.37Å
51V96.8Very high96.5Very high118 Ų11864.4 Ų64.472%0.71535%0.353SS*.THydrogen-bonded Turntrans-96.47179.9-59.30000113H48 L49H48-V51 WeakPolarHBondContact O-CG2 3.47Å; L49-V51 VanDerWaalsContact C-N 3.27Å; L49-V51 PolarHBondContact O-N 2.99Å
52L97.8Very high96.6Very high18 Ų1866.6 Ų66.69%0.09436%0.357CS..SBendtrans-73.5144.3173.6-58.5175.4000110.3V24 K25 L28 L49 G54 A55 L192V24-L52 HydrophobicContact CB-CD1 4.42Å; V24-L52 HydrophobicContact CG1-CD1 3.91Å; K25-L52 HydrophobicContact CB-CD1 4.1Å; K25-L52 HydrophobicContact CB-CD2 4.23Å; K25-L52 HydrophobicContact CD-CD2 4.1Å; K25-L52 HydrophobicContact CG-CD2 4.23Å; L28-L52 HydrophobicContact CD1-CB 4.22Å; L28-L52 HydrophobicContact CD1-CD1 4.43Å; L49-L52 HydrophobicContact CD2-CD1 4.09Å; L49-L52 WeakPolarHBondContact O-CG 3.35Å; L49-L52 PolarHBondContact O-N 2.87Å; L52-G54 PolarHBondContact O-N 3.37Å; L52-A55 HydrophobicContact CB-CB 4.14Å; L52-A55 WeakPolarHBondContact O-CB 3.47Å; L52-A55 PolarHBondContact O-N 3.24Å; L52-L192 HydrophobicContact CD2-CD1 4.19Å
53D96.9Very high96.7Very high138 Ų13869 Ų6974%0.73834%0.344SS*.THydrogen-bonded Turntrans-56.5127.3174.2-61-34.4000110.5A55D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 3.06Å
54G96Very high96.9Very high30 Ų3067.3 Ų67.331%0.30934%0.336SS..THydrogen-bonded Turntrans79.5-0.8-177.400000115.7R5 L52 G58R5-G54 PolarHBondContact NH2-O 2.88Å; R5-G54 VanDerWaalsContact NH2-O 3.15Å; L52-G54 PolarHBondContact O-N 3.37Å; G54-G58 WeakPolarHBondContact O-CA 3.3Å; G54-G58 PolarHBondContact O-N 3.34Å
55A97.4Very high97Very high4 Ų462.7 Ų62.73%0.03331%0.313CS..Hα-helixtrans-65.9-38.3-179.900000112.9L28 L49 L52 D53 E57 G58 L59L28-A55 HydrophobicContact CD1-CB 4.05Å; L49-A55 WeakPolarHBondContact O-CB 3.38Å; L52-A55 HydrophobicContact CB-CB 4.14Å; L52-A55 WeakPolarHBondContact O-CB 3.47Å; L52-A55 PolarHBondContact O-N 3.24Å; D53-A55 VanDerWaalsContact C-N 3.3Å; D53-A55 PolarHBondContact O-N 3.06Å; A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.14Å; A55-G58 PolarHBondContact O-N 3.04Å; A55-L59 HydrophobicContact CB-CB 3.96Å; A55-L59 HydrophobicContact CB-CD2 4.11Å; A55-L59 WeakPolarHBondContact O-CB 3.25Å; A55-L59 PolarHBondContact O-N 2.93Å
56R96Very high97.2Very high226 Ų22660.1 Ų60.185%0.85330%0.304SS*.Hα-helixtrans-55.1-42.1-177.4179.8-179.4-176.7-175.71112.3
57E94.6Very high97.2Very high114 Ų11464.3 Ų64.353%0.53333%0.326SS..Hα-helixtrans-98.4-15.9-178.8-5375.3-159.900112.4R5 A55R5-E57 PolarHBondContact NH1-O 2.76Å; A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.14Å
58G96.8Very high97.3Very high3 Ų364.8 Ų64.83%0.03132%0.323CS..Hα-helixtrans-119.7-16.9-164.100000116.4R5 F33 V34 G54 A55R5-G58 VanDerWaalsContact CZ-CA 3.48Å; F33-G58 CarbonylContact C-O 3.58Å; V34-G58 PolarHBondContact N-O 2.92Å; G54-G58 WeakPolarHBondContact O-CA 3.3Å; G54-G58 PolarHBondContact O-N 3.34Å; A55-G58 PolarHBondContact O-N 3.04Å
59L98.1Very high97.3Very high17 Ų1767.5 Ų67.59%0.08933%0.332CS..EExtended strand (participates in β ladder)trans-112131.1-175.4179.963.6000110V24 L28 V34 L49 A55 L61V24-L59 HydrophobicContact CG1-CD1 3.84Å; V24-L59 HydrophobicContact CG1-CD2 4.18Å; L28-L59 HydrophobicContact CD1-CB 4.38Å; L28-L59 HydrophobicContact CD2-CB 4.4Å; V34-L59 HydrophobicContact CB-CD1 4.09Å; V34-L59 HydrophobicContact CG1-CD1 4.03Å; V34-L59 WeakPolarHBondContact O-CA 3.28Å; V34-L59 WeakPolarHBondContact O-CD1 3.17Å; L49-L59 HydrophobicContact CB-CD2 3.75Å; L49-L59 WeakPolarHBondContact O-CD2 3.42Å; A55-L59 HydrophobicContact CB-CB 3.96Å; A55-L59 HydrophobicContact CB-CD2 4.11Å; A55-L59 WeakPolarHBondContact O-CB 3.25Å; A55-L59 PolarHBondContact O-N 2.93Å; L59-L61 HydrophobicContact CD1-CD2 3.9Å; L59-L61 HydrophobicContact CD2-CD2 3.94Å; L59-L61 HydrophobicContact CG-CD2 3.87Å
60S97.7Very high97.3Very high62 Ų6272.9 Ų72.943%0.43436%0.361SS..EExtended strand (participates in β ladder)trans-127.2132.3167.7-65.60000109.3V34 R35 G36V34-S60 PolarHBondContact O-N 3.23Å; R35-S60 CarbonylContact C-O 3.11Å; R35-S60 VanDerWaalsContact CA-O 3.31Å; R35-S60 WeakPolarHBondContact CA-O 3.4Å; G36-S60 PolarHBondContact N-O 2.71Å
61L98Very high97.3Very high34 Ų3467.9 Ų67.918%0.17834%0.339CS..EExtended strand (participates in β ladder)trans-95.9130.7-179.7-55.5-170.1000110.4G36 M38 P41 N46 L49 H50 L59G36-L61 CarbonylContact O-C 3.58Å; G36-L61 WeakPolarHBondContact O-CA 3.31Å; M38-L61 HydrophobicContact CE-CB 4.43Å; M38-L61 HydrophobicContact CE-CD1 4.2Å; M38-L61 HydrophobicContact CE-CD2 3.66Å; M38-L61 HydrophobicContact CE-CG 4.31Å; M38-L61 HydrophobicContact SD-CD1 4.17Å; P41-L61 HydrophobicContact CB-CB 3.87Å; N46-L61 HydrophobicContact CB-CD1 4.4Å; L49-L61 HydrophobicContact CD1-CD2 3.99Å; H50-L61 WeakPolarHBondContact NE2-CD1 3.37Å; L59-L61 HydrophobicContact CD1-CD2 3.9Å; L59-L61 HydrophobicContact CD2-CD2 3.94Å; L59-L61 HydrophobicContact CG-CD2 3.87Å
62Y97.9Very high97.4Very high79 Ų7962.3 Ų62.331%0.3131%0.305SS..EExtended strand (participates in β ladder)trans-120.9138.8-177.2-78.7-100.1000110.8R35 G36 A37 M38 P41 A64R35-Y62 HydrophobicContact CB-CD2 3.97Å; R35-Y62 HydrophobicContact CB-CE2 4.2Å; R35-Y62 VanDerWaalsContact CD-CE2 3.47Å; R35-Y62 HydrophobicContact CG-CD2 3.94Å; R35-Y62 HydrophobicContact CG-CE2 3.64Å; R35-Y62 PolarHBondContact NE-OH 3.16Å; G36-Y62 PolarHBondContact O-N 2.93Å; A37-Y62 WeakPolarHBondContact CA-O 3.28Å; M38-Y62 PolarHBondContact N-O 3.42Å; M38-Y62 VanDerWaalsContact O-O 3.14Å; P41-Y62 VanDerWaalsContact CG-C 3.44Å; Y62-A64 PolarHBondContact O-N 3.1Å
63R98Very high97.4Very high154 Ų15465.4 Ų65.458%0.58132%0.315SS*.EExtended strand (participates in β ladder)trans-69120.7169.1177.9175.4179.2-81-0.6108.6M38 P41 D68M38-R63 CarbonylContact O-C 3.49Å; M38-R63 VanDerWaalsContact O-CA 3.25Å; M38-R63 WeakPolarHBondContact O-CA 3.3Å; P41-R63 HydrophobicContact CG-CB 4.04Å; P41-R63 VanDerWaalsContact CG-N 3.31Å; R63-D68 IonicContact NH1-OD2 3.72Å
64A97.9Very high97.5Very high9 Ų961.6 Ų61.67%0.07430%0.303CS..  trans-149.3138.617000000111.6A37 M38 R39 Y62 S71 L72 A75A37-A64 HydrophobicContact CB-CB 3.88Å; M38-A64 CarbonylContact C-O 3.57Å; M38-A64 PolarHBondContact O-N 2.86Å; R39-A64 PolarHBondContact N-O 2.98Å; Y62-A64 PolarHBondContact O-N 3.1Å; A64-S71 WeakPolarHBondContact CA-OG 3.25Å; A64-L72 HydrophobicContact CB-CD2 4.22Å; A64-A75 HydrophobicContact CB-CB 4.19Å
65D97.4Very high97.6Very high46 Ų4660.1 Ų60.125%0.24629%0.288CS..  trans-116.5137.5167.1-164.4-61.9000108.8R39 L67 D68 S71R39-D65 VanDerWaalsContact CD-OD2 3.3Å; R39-D65 WeakPolarHBondContact CD-OD2 3.27Å; R39-D65 HydrophobicContact CG-CB 4.48Å; D65-L67 PolarHBondContact O-N 3.49Å; D65-L67 PolarHBondContact OD1-N 2.92Å; D65-D68 HydrophobicContact CB-CB 4.06Å; D65-D68 PolarHBondContact O-N 3.3Å; D65-S71 PolarHBondContact N-OG 3.34Å; D65-S71 PolarHBondContact O-OG 2.96Å
66V97.9Very high97.7Very high23 Ų2360 Ų6014%0.13929%0.287CS..THydrogen-bonded Turntrans-63.5-22.2-179.2-63.60000112.2A86 G102 N105 V106V66-A86 HydrophobicContact CG1-CB 3.95Å; V66-G102 WeakPolarHBondContact O-CA 3.47Å; V66-N105 VanDerWaalsContact O-CB 3.24Å; V66-N105 WeakPolarHBondContact O-CB 3.37Å; V66-N105 PolarHBondContact O-ND2 3.41Å; V66-V106 HydrophobicContact CG1-CG2 4.34Å
67L97.7Very high97.7Very high93 Ų9350.7 Ų50.749%0.48726%0.259SS..THydrogen-bonded Turntrans-89.3-7.2175-61.3-179.4000113.5D65 A98 E101D65-L67 PolarHBondContact O-N 3.49Å; D65-L67 PolarHBondContact OD1-N 2.92Å; L67-A98 HydrophobicContact CD1-CB 4.5Å; L67-E101 HydrophobicContact CD2-CB 4.29Å
68D97.8Very high97.8Very high53 Ų5352.3 Ų52.328%0.28327%0.27SS..  trans-109.893.5177.5177.9-7.5000110.5R63 D65 N70 S71 L72R63-D68 IonicContact NH1-OD2 3.72Å; D65-D68 HydrophobicContact CB-CB 4.06Å; D65-D68 PolarHBondContact O-N 3.3Å; D68-N70 PolarHBondContact O-N 2.83Å; D68-N70 PolarHBondContact OD1-N 2.98Å; D68-N70 VanDerWaalsContact OD1-N 3.09Å; D68-S71 WeakPolarHBondContact CB-OG 3.48Å; D68-S71 PolarHBondContact O-N 2.9Å; D68-S71 VanDerWaalsContact O-N 3.16Å; D68-S71 PolarHBondContact O-OG 3.12Å; D68-S71 PolarHBondContact OD1-N 3.46Å; D68-S71 WeakPolarHBondContact OD2-CB 3.47Å; D68-L72 PolarHBondContact O-N 3.19Å; D68-L72 VanDerWaalsContact O-N 3.1Å
69R96.8Very high97.8Very high80 Ų8052.5 Ų52.530%0.30227%0.271SS..Hα-helixtrans-59.3-30.9-178.6-170.3175.6177176.9-0.9113.5L72 R73 A109 D112R69-L72 PolarHBondContact O-N 3.27Å; R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 PolarHBondContact O-N 3.46Å; R69-A109 HydrophobicContact CG-CB 4.22Å; R69-D112 IonicContact CZ-OD2 3.05Å; R69-D112 IonicContact NE-OD2 3.83Å; R69-D112 PolarHBondContact NE-OD2 2.95Å; R69-D112 IonicContact NH2-OD1 3.11Å; R69-D112 PolarHBondContact NH2-OD1 3.21Å; R69-D112 IonicContact NH2-OD2 3.29Å; R69-D112 PolarHBondContact NH2-OD2 3.48Å
70N98Very high97.8Very high114 Ų11455.1 Ų55.161%0.6129%0.285SS*.Hα-helixtrans-71.9-40.9178.8-73.1-24.4000110.8D68 L72 R73 A74D68-N70 PolarHBondContact O-N 2.83Å; D68-N70 PolarHBondContact OD1-N 2.98Å; D68-N70 VanDerWaalsContact OD1-N 3.09Å; N70-L72 VanDerWaalsContact C-N 3.3Å; N70-L72 PolarHBondContact O-N 3.06Å; N70-R73 PolarHBondContact O-N 3.13Å; N70-A74 PolarHBondContact O-N 3.13Å
71S98.3Very high97.9Very high10 Ų1052.1 Ų52.17%0.0726%0.264CS..Hα-helixtrans-61.9-38.4173.179.80000112.4A64 D65 D68 A74 A75A64-S71 WeakPolarHBondContact CA-OG 3.25Å; D65-S71 PolarHBondContact N-OG 3.34Å; D65-S71 PolarHBondContact O-OG 2.96Å; D68-S71 WeakPolarHBondContact CB-OG 3.48Å; D68-S71 PolarHBondContact O-N 2.9Å; D68-S71 VanDerWaalsContact O-N 3.16Å; D68-S71 PolarHBondContact O-OG 3.12Å; D68-S71 PolarHBondContact OD1-N 3.46Å; D68-S71 WeakPolarHBondContact OD2-CB 3.47Å; S71-A74 PolarHBondContact O-N 3.42Å; S71-A75 PolarHBondContact O-N 3.34Å
72L98.7Very high97.9Very high1 Ų150.5 Ų50.51%0.00526%0.256CS..Hα-helixtrans-64.9-47.1175.2-68171.3000111.9A64 D68 R69 N70 A74 A75 F76 N105 V106 A109A64-L72 HydrophobicContact CB-CD2 4.22Å; D68-L72 PolarHBondContact O-N 3.19Å; D68-L72 VanDerWaalsContact O-N 3.1Å; R69-L72 PolarHBondContact O-N 3.27Å; N70-L72 VanDerWaalsContact C-N 3.3Å; N70-L72 PolarHBondContact O-N 3.06Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 2.73Å; L72-A75 PolarHBondContact O-N 2.85Å; L72-A75 VanDerWaalsContact O-N 3.15Å; L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CB-CE2 3.98Å; L72-F76 HydrophobicContact CB-CZ 4.29Å; L72-F76 HydrophobicContact CD2-CE1 4.48Å; L72-F76 HydrophobicContact CD2-CE2 4.29Å; L72-F76 HydrophobicContact CD2-CZ 3.82Å; L72-F76 WeakPolarHBondContact O-CB 3.19Å; L72-F76 WeakPolarHBondContact O-CD2 3.32Å; L72-F76 WeakPolarHBondContact O-CG 3.15Å; L72-F76 PolarHBondContact O-N 2.93Å; L72-N105 HydrophobicContact CD1-CB 3.8Å; L72-V106 HydrophobicContact CD1-CG2 3.83Å; L72-V106 HydrophobicContact CD2-CG2 3.89Å; L72-A109 HydrophobicContact CB-CB 3.69Å; L72-A109 HydrophobicContact CD1-CB 4.47Å
73R98.5Very high97.9Very high83 Ų8346.8 Ų46.831%0.31324%0.241SC..Hα-helixtrans-56.8-45.9175.9-75.8172.3173.9-179.1-5.2111.5R69 N70 A75 F76 A77 A109 D112 M113R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 PolarHBondContact O-N 3.46Å; N70-R73 PolarHBondContact O-N 3.13Å; R73-A75 VanDerWaalsContact C-N 3.33Å; R73-A75 PolarHBondContact O-N 3.21Å; R73-F76 PolarHBondContact O-N 3.04Å; R73-A77 PolarHBondContact O-N 2.77Å; R73-A109 HydrophobicContact CG-CB 3.99Å; R73-D112 HydrophobicContact CG-CB 4.47Å; R73-D112 IonicContact CZ-OD2 2.63Å; R73-D112 IonicContact NE-OD2 3.31Å; R73-D112 PolarHBondContact NE-OD2 3.04Å; R73-D112 VanDerWaalsContact NH2-CG 3.35Å; R73-D112 IonicContact NH2-OD1 3.98Å; R73-D112 IonicContact NH2-OD2 2.83Å; R73-D112 PolarHBondContact NH2-OD2 3.34Å; R73-M113 HydrophobicContact CB-CE 4.35Å; R73-M113 HydrophobicContact CB-CG 4.14Å; R73-M113 HydrophobicContact CB-SD 3.91Å; R73-M113 HydrophobicContact CG-CE 4.19Å; R73-M113 HydrophobicContact CG-CG 4.24Å; R73-M113 HydrophobicContact CG-SD 4.29Å
74A98.2Very high98Very high58 Ų5839.5 Ų39.548%0.47921%0.214SC..Hα-helixtrans-60.2-42.5176.500000112.1R35 N70 S71 L72 F76R35-A74 PolarHBondContact NH1-O 3.37Å; N70-A74 PolarHBondContact O-N 3.13Å; S71-A74 PolarHBondContact O-N 3.42Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-A74 PolarHBondContact O-N 2.73Å; A74-F76 PolarHBondContact O-N 3.32Å
75A98.3Very high98Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-67-33.7176.900000113.1R35 A37 A64 S71 L72 R73R35-A75 WeakPolarHBondContact CD-O 3.21Å; R35-A75 PolarHBondContact NH1-O 2.84Å; A37-A75 HydrophobicContact CB-CB 4.16Å; A64-A75 HydrophobicContact CB-CB 4.19Å; S71-A75 PolarHBondContact O-N 3.34Å; L72-A75 PolarHBondContact O-N 2.85Å; L72-A75 VanDerWaalsContact O-N 3.15Å; R73-A75 VanDerWaalsContact C-N 3.33Å; R73-A75 PolarHBondContact O-N 3.21Å
76F98.6Very high98Very high0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-90.2-11.8-176.3-58.5-16.8000114.3C11 T13 L72 R73 A74 L78 C79 V82 V106 A109 A110 M113 V115C11-F76 HydrophobicContact CB-CD1 3.77Å; C11-F76 HydrophobicContact CB-CE1 4.15Å; C11-F76 VanDerWaalsContact SG-CD1 3.56Å; T13-F76 HydrophobicContact CG2-CE1 3.85Å; T13-F76 HydrophobicContact CG2-CZ 3.83Å; L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CB-CE2 3.98Å; L72-F76 HydrophobicContact CB-CZ 4.29Å; L72-F76 HydrophobicContact CD2-CE1 4.48Å; L72-F76 HydrophobicContact CD2-CE2 4.29Å; L72-F76 HydrophobicContact CD2-CZ 3.82Å; L72-F76 WeakPolarHBondContact O-CB 3.19Å; L72-F76 WeakPolarHBondContact O-CD2 3.32Å; L72-F76 WeakPolarHBondContact O-CG 3.15Å; L72-F76 PolarHBondContact O-N 2.93Å; R73-F76 PolarHBondContact O-N 3.04Å; A74-F76 PolarHBondContact O-N 3.32Å; F76-L78 PolarHBondContact O-N 3.45Å; F76-C79 VanDerWaalsContact O-CB 3.3Å; F76-C79 WeakPolarHBondContact O-CB 3.46Å; F76-C79 PolarHBondContact O-N 3.08Å; F76-V82 HydrophobicContact CB-CG2 4.32Å; F76-V82 HydrophobicContact CD1-CG1 4.35Å; F76-V82 HydrophobicContact CD1-CG2 3.67Å; F76-V82 HydrophobicContact CD2-CG2 4.15Å; F76-V82 HydrophobicContact CE1-CG1 3.78Å; F76-V82 HydrophobicContact CE1-CG2 3.97Å; F76-V82 HydrophobicContact CE2-CG1 4.32Å; F76-V82 HydrophobicContact CE2-CG2 4.39Å; F76-V82 HydrophobicContact CG-CG2 3.78Å; F76-V82 HydrophobicContact CZ-CG1 3.76Å; F76-V82 HydrophobicContact CZ-CG2 4.32Å; F76-V106 HydrophobicContact CE2-CG1 4.05Å; F76-V106 HydrophobicContact CZ-CG1 3.91Å; F76-V106 HydrophobicContact CZ-CG2 4.41Å; F76-A109 HydrophobicContact CD2-CB 3.86Å; F76-A109 HydrophobicContact CE2-CB 3.9Å; F76-A110 HydrophobicContact CD2-CB 4.23Å; F76-A110 HydrophobicContact CE2-CB 4.41Å; F76-M113 HydrophobicContact CB-CB 4.27Å; F76-M113 HydrophobicContact CB-CG 4.11Å; F76-V115 HydrophobicContact CB-CG2 4.33Å
77A97.3Very high98Very high32 Ų3239.5 Ų39.526%0.26422%0.218SC..THydrogen-bonded Turntrans-53.8129.1179.400000111.2R35 R73 C79 M113R35-A77 PolarHBondContact NH1-O 2.76Å; R35-A77 PolarHBondContact NH2-O 3.22Å; R73-A77 PolarHBondContact O-N 2.77Å; A77-C79 PolarHBondContact O-N 3.28Å; A77-M113 HydrophobicContact CB-SD 4.38Å
78L95.8Very high97.8Very high147 Ų14736.8 Ų36.877%0.7721%0.206SC*.THydrogen-bonded Turntrans65.315.4-177.8-48.5174.3000115.4F76F76-L78 PolarHBondContact O-N 3.45Å
79C98Very high97.7Very high8 Ų838.8 Ų38.85%0.05422%0.22CC..  trans-88.5137.2172.3-62.20000111.2M9 C11 F76 A77M9-C79 CarbonylContact O-C 3.47Å; M9-C79 VanDerWaalsContact O-CA 3.25Å; M9-C79 WeakPolarHBondContact O-CA 3.34Å; C11-C79 HydrophobicContact CB-CB 4.47Å; F76-C79 VanDerWaalsContact O-CB 3.3Å; F76-C79 WeakPolarHBondContact O-CB 3.46Å; F76-C79 PolarHBondContact O-N 3.08Å; A77-C79 PolarHBondContact O-N 3.28Å
80D97.7Very high97.5Very high71 Ų7137.2 Ų37.238%0.3822%0.221SC..SBendtrans-75.1-31.7171.2-58.1-76.6000111.8Q8 M9Q8-D80 WeakPolarHBondContact CA-OD2 3.29Å; Q8-D80 HydrophobicContact CB-CB 4.39Å; Q8-D80 WeakPolarHBondContact CB-OD2 3.31Å; M9-D80 PolarHBondContact N-OD2 2.83Å; M9-D80 PolarHBondContact O-N 2.94Å
81G98.5Very high97.4Very high0 Ų036 Ų360%021%0.214CC..EExtended strand (participates in β ladder)trans-144.2151.6-17500000113.9V10 C11 R117V10-G81 CarbonylContact C-O 3.56Å; V10-G81 VanDerWaalsContact CA-O 3.3Å; V10-G81 WeakPolarHBondContact CA-O 3.48Å; C11-G81 PolarHBondContact N-O 2.81Å; G81-R117 WeakPolarHBondContact CA-O 3.43Å
82V98.8Very high97.2Very high0 Ų038.5 Ų38.50%023%0.227CC..EExtended strand (participates in β ladder)trans-126.1130.1173.71720000110.2C11 F76 V106 A110 V115 R117 V118 V119C11-V82 HydrophobicContact CB-CG2 4.21Å; C11-V82 CarbonylContact O-C 3.44Å; C11-V82 WeakPolarHBondContact O-CA 3.49Å; F76-V82 HydrophobicContact CB-CG2 4.32Å; F76-V82 HydrophobicContact CD1-CG1 4.35Å; F76-V82 HydrophobicContact CD1-CG2 3.67Å; F76-V82 HydrophobicContact CD2-CG2 4.15Å; F76-V82 HydrophobicContact CE1-CG1 3.78Å; F76-V82 HydrophobicContact CE1-CG2 3.97Å; F76-V82 HydrophobicContact CE2-CG1 4.32Å; F76-V82 HydrophobicContact CE2-CG2 4.39Å; F76-V82 HydrophobicContact CG-CG2 3.78Å; F76-V82 HydrophobicContact CZ-CG1 3.76Å; F76-V82 HydrophobicContact CZ-CG2 4.32Å; V82-V106 HydrophobicContact CG1-CG1 4.26Å; V82-A110 HydrophobicContact CG2-CB 4.4Å; V82-V115 HydrophobicContact CB-CG1 4.3Å; V82-V115 HydrophobicContact CG2-CB 4.45Å; V82-V115 HydrophobicContact CG2-CG1 3.87Å; V82-V115 HydrophobicContact CG2-CG2 3.96Å; V82-R117 PolarHBondContact N-O 2.8Å; V82-R117 VanDerWaalsContact N-O 3.12Å; V82-V118 HydrophobicContact CB-CG2 4.27Å; V82-V118 CarbonylContact O-C 3.53Å; V82-V118 VanDerWaalsContact O-CA 3.25Å; V82-V118 WeakPolarHBondContact O-CA 3.31Å; V82-V119 PolarHBondContact O-N 3.27Å
83F98.9Very high97.1Very high0 Ų041.3 Ų41.30%025%0.245CC..EExtended strand (participates in β ladder)trans-103.8104.4170.4-61.8-94.6000109V10 C11 V12 T13 L23 L27 V85 V119 H231 Y235V10-F83 HydrophobicContact CB-CD2 4.24Å; V10-F83 HydrophobicContact CB-CE2 3.86Å; V10-F83 HydrophobicContact CG1-CE2 4.06Å; V10-F83 HydrophobicContact CG2-CD2 4.49Å; V10-F83 HydrophobicContact CG2-CE2 4.07Å; C11-F83 PolarHBondContact O-N 2.73Å; V12-F83 WeakPolarHBondContact CA-O 3.33Å; V12-F83 HydrophobicContact CG1-CB 4.49Å; V12-F83 HydrophobicContact CG2-CB 4.16Å; V12-F83 HydrophobicContact CG2-CD2 4.21Å; V12-F83 HydrophobicContact CG2-CG 4.48Å; T13-F83 PolarHBondContact N-O 2.81Å; L23-F83 HydrophobicContact CD1-CD1 4.37Å; L23-F83 HydrophobicContact CD1-CE1 4.47Å; L23-F83 HydrophobicContact CD2-CB 3.65Å; L23-F83 HydrophobicContact CD2-CD1 3.79Å; L23-F83 HydrophobicContact CD2-CG 3.82Å; L27-F83 HydrophobicContact CD1-CD2 3.93Å; L27-F83 HydrophobicContact CD1-CE2 3.77Å; L27-F83 HydrophobicContact CD1-CZ 4.27Å; L27-F83 HydrophobicContact CD2-CE2 3.93Å; L27-F83 HydrophobicContact CD2-CZ 3.83Å; F83-V85 HydrophobicContact CB-CG2 4.45Å; F83-V85 PolarHBondContact O-N 3.32Å; F83-V119 CarbonylContact C-O 3.55Å; F83-V119 WeakPolarHBondContact CA-O 3.42Å; F83-V119 HydrophobicContact CD1-CB 3.63Å; F83-V119 HydrophobicContact CD1-CG1 4.24Å; F83-V119 HydrophobicContact CD1-CG2 3.83Å; F83-V119 HydrophobicContact CE1-CB 4Å; F83-V119 HydrophobicContact CE1-CG2 3.66Å; F83-V119 HydrophobicContact CG-CB 4.45Å; F83-V119 HydrophobicContact CZ-CG2 4.46Å; F83-H231 HydrophobicContact CD1-CB 4Å; F83-H231 HydrophobicContact CE1-CB 4.04Å; F83-Y235 HydrophobicContact CE1-CD2 4.43Å; F83-Y235 HydrophobicContact CE1-CG 4.1Å; F83-Y235 HydrophobicContact CE2-CD2 4.36Å; F83-Y235 HydrophobicContact CE2-CG 4.28Å; F83-Y235 AromaticContact CZ-CD1 3.89Å; F83-Y235 HydrophobicContact CZ-CD1 3.89Å; F83-Y235 AromaticContact CZ-CD2 3.86Å; F83-Y235 HydrophobicContact CZ-CD2 3.86Å; F83-Y235 AromaticContact CZ-CG 3.47Å; F83-Y235 HydrophobicContact CZ-CG 3.47Å; F83-Y235 VanDerWaalsContact CZ-CG 3.47Å
84H98.8Very high97Very high2 Ų245 Ų451%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-8891.6179.3-174.631.2000110.8T13 A86 T103 V106 V119 F120 T121T13-H84 WeakPolarHBondContact OG1-CA 3.49Å; T13-H84 PolarHBondContact OG1-ND1 2.93Å; H84-A86 PolarHBondContact CE1-O 3.26Å; H84-T103 PolarHBondContact NE2-OG1 3.33Å; H84-V106 HydrophobicContact CB-CG1 3.82Å; H84-V119 PolarHBondContact N-O 3.26Å; H84-F120 HydrophobicContact CB-CD2 4.21Å; H84-F120 AromaticContact CD2-CD2 3.47Å; H84-F120 VanDerWaalsContact CD2-CD2 3.47Å; H84-F120 WeakPolarHBondContact CD2-CD2 3.44Å; H84-F120 AromaticContact CD2-CE2 3.64Å; H84-T121 PolarHBondContact O-N 2.9Å; H84-T121 PolarHBondContact O-OG1 3.38Å
85V98.6Very high96.8Very high22 Ų2245.6 Ų45.613%0.13326%0.261CS..  trans-101.5-29179.1-167.60000111.8V12 T13 I19 L23 F83 S87 T121V12-V85 HydrophobicContact CG1-CG2 4.09Å; T13-V85 WeakPolarHBondContact O-CB 3.45Å; T13-V85 PolarHBondContact O-N 2.87Å; T13-V85 PolarHBondContact OG1-N 3.47Å; I19-V85 HydrophobicContact CB-CG1 3.93Å; I19-V85 HydrophobicContact CG2-CG1 3.8Å; L23-V85 HydrophobicContact CD2-CG2 3.76Å; F83-V85 HydrophobicContact CB-CG2 4.45Å; F83-V85 PolarHBondContact O-N 3.32Å; V85-S87 PolarHBondContact O-N 2.85Å; V85-S87 VanDerWaalsContact O-N 3.15Å; V85-T121 WeakPolarHBondContact CA-OG1 3.39Å; V85-T121 HydrophobicContact CG1-CG2 4.5Å; V85-T121 WeakPolarHBondContact CG2-OG1 3.38Å
86A97.5Very high96.7Very high24 Ų2447 Ų4720%0.19827%0.268CS..  trans-57.8116.9-178.800000112.1T13 V66 H84T13-A86 PolarHBondContact O-N 3.08Å; T13-A86 VanDerWaalsContact OG1-CB 3.25Å; T13-A86 WeakPolarHBondContact OG1-CB 3.33Å; T13-A86 PolarHBondContact OG1-N 2.66Å; T13-A86 VanDerWaalsContact OG1-N 3.13Å; V66-A86 HydrophobicContact CG1-CB 3.95Å; H84-A86 PolarHBondContact CE1-O 3.26Å
87S96.7Very high96.5Very high32 Ų3250.2 Ų50.222%0.22429%0.29CS..  trans-156.2142.6172.2176.40000108V85 V89V85-S87 PolarHBondContact O-N 2.85Å; V85-S87 VanDerWaalsContact O-N 3.15Å; S87-V89 PolarHBondContact O-N 3.33Å
88P94.5Very high96.5Very high36 Ų3649.8 Ų49.823%0.23429%0.286CS..  trans-55140.8163.1-20.831.6000110.4L95 A98P88-L95 HydrophobicContact CB-CB 3.96Å; P88-L95 HydrophobicContact CB-CD1 4.11Å; P88-L95 HydrophobicContact CG-CB 4.18Å; P88-A98 HydrophobicContact CG-CB 3.72Å
89V94.8Very high96.6Very high94 Ų9442.9 Ų42.957%0.5725%0.25SS*.  trans-117.577.8172.3-174.40000107.3S87 Y157 A198S87-V89 PolarHBondContact O-N 3.33Å; V89-Y157 HydrophobicContact CB-CE2 4.34Å; V89-Y157 HydrophobicContact CG1-CD2 4.29Å; V89-Y157 HydrophobicContact CG1-CE2 3.97Å; V89-Y157 HydrophobicContact CG2-CE2 4.3Å; V89-A198 HydrophobicContact CG1-CB 3.92Å
90S93.8Very high96.6Very high47 Ų4743.9 Ų43.933%0.32925%0.254SS..  trans-148.7153.1-174.3-171.70000110.9D92 Y157S90-D92 VanDerWaalsContact C-N 3.29Å; S90-D92 VanDerWaalsContact OG-CB 3.25Å; S90-D92 WeakPolarHBondContact OG-CB 3.37Å; S90-D92 PolarHBondContact OG-N 2.94Å; S90-Y157 WeakPolarHBondContact O-CA 3.34Å; S90-Y157 WeakPolarHBondContact O-CB 3.25Å
91N94.4Very high96.6Very high88 Ų8844.5 Ų44.547%0.47126%0.255SS..SBendtrans-9415.2166.1-76.7-34.8000112P93 W156 Y157N91-P93 WeakPolarHBondContact O-CD 3.38Å; N91-W156 PolarHBondContact OD1-N 2.94Å; N91-Y157 VanDerWaalsContact OD1-CB 3.28Å; N91-Y157 WeakPolarHBondContact OD1-CB 3.45Å; N91-Y157 PolarHBondContact OD1-N 3.49Å
92D96Very high96.6Very high63 Ų6344.5 Ų44.534%0.33726%0.255SS..  trans-77117172.1-174.5-10.9000110.1S90 E94 L95S90-D92 VanDerWaalsContact C-N 3.29Å; S90-D92 VanDerWaalsContact OG-CB 3.25Å; S90-D92 WeakPolarHBondContact OG-CB 3.37Å; S90-D92 PolarHBondContact OG-N 2.94Å; D92-E94 PolarHBondContact O-N 3.5Å; D92-E94 WeakPolarHBondContact OD1-CB 3.31Å; D92-E94 PolarHBondContact OD1-N 3.43Å; D92-L95 HydrophobicContact CB-CD1 4.22Å; D92-L95 HydrophobicContact CB-CG 4.25Å; D92-L95 PolarHBondContact O-N 3.21Å
93P94.8Very high96.6Very high60 Ų6044.7 Ų44.739%0.3926%0.256SS..G310 helixtrans-64.3-21.117927.7-35.1000113.5N91 L95 L96 W156N91-P93 WeakPolarHBondContact O-CD 3.38Å; P93-L95 PolarHBondContact O-N 2.89Å; P93-L96 HydrophobicContact CB-CD1 4.23Å; P93-L96 WeakPolarHBondContact O-CB 3.28Å; P93-L96 WeakPolarHBondContact O-CG 3.5Å; P93-L96 PolarHBondContact O-N 3.49Å; P93-L96 VanDerWaalsContact O-N 3.15Å; P93-W156 HydrophobicContact CB-CD2 4.08Å; P93-W156 HydrophobicContact CB-CG 4.24Å
94E96.6Very high96.6Very high161 Ų16148.2 Ų48.275%0.75227%0.272SS*.G310 helixtrans-65.6-19.9176.6-63.6-174177.200112.4D92 P97D92-E94 PolarHBondContact O-N 3.5Å; D92-E94 WeakPolarHBondContact OD1-CB 3.31Å; D92-E94 PolarHBondContact OD1-N 3.43Å; E94-P97 WeakPolarHBondContact O-CD 3.49Å
95L95.3Very high96.6Very high70 Ų7049.6 Ų49.637%0.36628%0.279SS..G310 helixtrans-91.30.8178.8-58.5-178.8000113.5P88 D92 P93 A98 A99P88-L95 HydrophobicContact CB-CB 3.96Å; P88-L95 HydrophobicContact CB-CD1 4.11Å; P88-L95 HydrophobicContact CG-CB 4.18Å; D92-L95 HydrophobicContact CB-CD1 4.22Å; D92-L95 HydrophobicContact CB-CG 4.25Å; D92-L95 PolarHBondContact O-N 3.21Å; P93-L95 PolarHBondContact O-N 2.89Å; L95-A98 PolarHBondContact O-N 3.04Å; L95-A99 PolarHBondContact O-N 2.81Å
96L95.6Very high96.6Very high29 Ų2948.6 Ų48.615%0.15227%0.273CS..Hα-helixtrans-56.6-45.4175.6-68.4175.3000113P93 A98 A99 I100 W156 Y159 A160P93-L96 HydrophobicContact CB-CD1 4.23Å; P93-L96 WeakPolarHBondContact O-CB 3.28Å; P93-L96 WeakPolarHBondContact O-CG 3.5Å; P93-L96 PolarHBondContact O-N 3.49Å; P93-L96 VanDerWaalsContact O-N 3.15Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 2.88Å; L96-A99 PolarHBondContact O-N 3.45Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-I100 HydrophobicContact CB-CD1 4.37Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.02Å; L96-W156 HydrophobicContact CD1-CE3 3.93Å; L96-W156 HydrophobicContact CD1-CZ3 4.16Å; L96-Y159 HydrophobicContact CD1-CD1 4.39Å; L96-Y159 HydrophobicContact CD1-CE1 4.41Å; L96-Y159 HydrophobicContact CD2-CD1 3.98Å; L96-A160 HydrophobicContact CD2-CB 3.53Å
97P95.4Very high96.6Very high69 Ų6947.4 Ų47.445%0.44826%0.263SS..Hα-helixtrans-60.5-40.7179-24.135.9000112.6E94 A99 I100 E101 G102E94-P97 WeakPolarHBondContact O-CD 3.49Å; P97-A99 PolarHBondContact O-N 3.03Å; P97-I100 PolarHBondContact O-N 3.46Å; P97-E101 WeakPolarHBondContact O-CA 3.35Å; P97-E101 WeakPolarHBondContact O-CB 3.25Å; P97-E101 PolarHBondContact O-N 3.17Å; P97-G102 PolarHBondContact O-N 3.18Å
98A96.6Very high96.7Very high22 Ų2246.5 Ų46.518%0.18226%0.256CS..Hα-helixtrans-63-29.7178.400000112.8L67 P88 L95 L96 G102L67-A98 HydrophobicContact CD1-CB 4.5Å; P88-A98 HydrophobicContact CG-CB 3.72Å; L95-A98 PolarHBondContact O-N 3.04Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 2.88Å; A98-G102 WeakPolarHBondContact O-CA 3.36Å
99A97Very high96.9Very high3 Ų344.8 Ų44.83%0.02525%0.245CC..Hα-helixtrans-79.1-46.7172.600000112.3L95 L96 P97 T103 A160 A164L95-A99 PolarHBondContact O-N 2.81Å; L96-A99 PolarHBondContact O-N 3.45Å; L96-A99 VanDerWaalsContact O-N 3.13Å; P97-A99 PolarHBondContact O-N 3.03Å; A99-T103 VanDerWaalsContact O-CB 3.31Å; A99-T103 WeakPolarHBondContact O-CB 3.44Å; A99-T103 PolarHBondContact O-N 2.98Å; A99-T103 PolarHBondContact O-OG1 2.82Å; A99-A160 HydrophobicContact CB-CB 3.95Å; A99-A164 WeakPolarHBondContact O-CB 3.46Å
100I98Very high97.1Very high28 Ų2840.3 Ų40.314%0.14422%0.217CC..Hα-helixtrans-83.5-60.8-170.4-58.9165.9000111.2L96 P97 G102 T103 K104 L163L96-I100 HydrophobicContact CB-CD1 4.37Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.02Å; P97-I100 PolarHBondContact O-N 3.46Å; I100-G102 VanDerWaalsContact C-N 3.28Å; I100-G102 PolarHBondContact O-N 3.4Å; I100-T103 PolarHBondContact O-N 2.98Å; I100-K104 PolarHBondContact O-N 2.99Å; I100-L163 HydrophobicContact CD1-CB 3.8Å; I100-L163 HydrophobicContact CD1-CD1 3.67Å; I100-L163 HydrophobicContact CD1-CG 4.41Å; I100-L163 HydrophobicContact CG1-CB 3.92Å
101E98.1Very high97.3Very high85 Ų8538.9 Ų38.940%0.39721%0.209SC..Hα-helixtrans-66.9-34.1177.8-63.7-55.5140.200111.3L67 P97 T103 K104 N105L67-E101 HydrophobicContact CD2-CB 4.29Å; P97-E101 WeakPolarHBondContact O-CA 3.35Å; P97-E101 WeakPolarHBondContact O-CB 3.25Å; P97-E101 PolarHBondContact O-N 3.17Å; E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 3.43Å; E101-K104 WeakPolarHBondContact O-CB 3.16Å; E101-K104 PolarHBondContact O-N 2.9Å; E101-K104 WeakPolarHBondContact OE2-CD 3.39Å; E101-K104 IonicContact OE2-NZ 3.7Å; E101-N105 WeakPolarHBondContact O-CB 3.41Å; E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.01Å; E101-N105 PolarHBondContact O-ND2 3.07Å
102G98.3Very high97.5Very high0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-57.1-45.3171.600000112.6V66 P97 A98 I100 N105 V106V66-G102 WeakPolarHBondContact O-CA 3.47Å; P97-G102 PolarHBondContact O-N 3.18Å; A98-G102 WeakPolarHBondContact O-CA 3.36Å; I100-G102 VanDerWaalsContact C-N 3.28Å; I100-G102 PolarHBondContact O-N 3.4Å; G102-N105 PolarHBondContact O-N 2.88Å; G102-V106 WeakPolarHBondContact O-CG2 3.35Å; G102-V106 PolarHBondContact O-N 3.36Å
103T98.7Very high97.6Very high3 Ų337.2 Ų37.22%0.01820%0.198CC..Hα-helixtrans-65.3-44.3176.7-62.10000111.5H84 A99 I100 E101 N105 V106 I107 F120 A164 A168H84-T103 PolarHBondContact NE2-OG1 3.33Å; A99-T103 VanDerWaalsContact O-CB 3.31Å; A99-T103 WeakPolarHBondContact O-CB 3.44Å; A99-T103 PolarHBondContact O-N 2.98Å; A99-T103 PolarHBondContact O-OG1 2.82Å; I100-T103 PolarHBondContact O-N 2.98Å; E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 3.43Å; T103-N105 VanDerWaalsContact C-N 3.31Å; T103-N105 PolarHBondContact O-N 2.87Å; T103-V106 PolarHBondContact O-N 2.84Å; T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 WeakPolarHBondContact O-CG1 3.3Å; T103-I107 PolarHBondContact O-N 3.45Å; T103-F120 HydrophobicContact CG2-CD2 4.33Å; T103-F120 HydrophobicContact CG2-CE2 3.93Å; T103-F120 HydrophobicContact CG2-CZ 4.35Å; T103-A164 WeakPolarHBondContact CG2-O 3.44Å; T103-A168 HydrophobicContact CG2-CB 3.65Å
104K98.6Very high97.7Very high75 Ų7536.9 Ų36.933%0.32621%0.206SC..Hα-helixtrans-55.3-46.1174.4178.9176.6179.8-173.90112I100 E101 V106 N108 T167 E171I100-K104 PolarHBondContact O-N 2.99Å; E101-K104 WeakPolarHBondContact O-CB 3.16Å; E101-K104 PolarHBondContact O-N 2.9Å; E101-K104 WeakPolarHBondContact OE2-CD 3.39Å; E101-K104 IonicContact OE2-NZ 3.7Å; K104-V106 VanDerWaalsContact C-N 3.35Å; K104-N108 WeakPolarHBondContact CG-ND2 3.43Å; K104-N108 VanDerWaalsContact O-CB 3.29Å; K104-N108 WeakPolarHBondContact O-CB 3.39Å; K104-N108 PolarHBondContact O-N 3.01Å; K104-N108 PolarHBondContact O-ND2 2.98Å; K104-T167 HydrophobicContact CB-CG2 3.73Å; K104-T167 HydrophobicContact CG-CG2 4.45Å; K104-E171 HydrophobicContact CG-CG 4.04Å
105N98.6Very high97.7Very high31 Ų3129.4 Ų29.417%0.16617%0.172CC..Hα-helixtrans-63.4-40.5178.4-75.7-23.5000112V66 L72 E101 G102 T103 N108 A109V66-N105 VanDerWaalsContact O-CB 3.24Å; V66-N105 WeakPolarHBondContact O-CB 3.37Å; V66-N105 PolarHBondContact O-ND2 3.41Å; L72-N105 HydrophobicContact CD1-CB 3.8Å; E101-N105 WeakPolarHBondContact O-CB 3.41Å; E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.01Å; E101-N105 PolarHBondContact O-ND2 3.07Å; G102-N105 PolarHBondContact O-N 2.88Å; T103-N105 VanDerWaalsContact C-N 3.31Å; T103-N105 PolarHBondContact O-N 2.87Å; N105-N108 PolarHBondContact O-N 2.94Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3.28Å
106V98.7Very high97.5Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-63.5-49.4177.7169.20000111.6V66 L72 F76 V82 H84 G102 T103 K104 N108 A109 A110V66-V106 HydrophobicContact CG1-CG2 4.34Å; L72-V106 HydrophobicContact CD1-CG2 3.83Å; L72-V106 HydrophobicContact CD2-CG2 3.89Å; F76-V106 HydrophobicContact CE2-CG1 4.05Å; F76-V106 HydrophobicContact CZ-CG1 3.91Å; F76-V106 HydrophobicContact CZ-CG2 4.41Å; V82-V106 HydrophobicContact CG1-CG1 4.26Å; H84-V106 HydrophobicContact CB-CG1 3.82Å; G102-V106 WeakPolarHBondContact O-CG2 3.35Å; G102-V106 PolarHBondContact O-N 3.36Å; T103-V106 PolarHBondContact O-N 2.84Å; K104-V106 VanDerWaalsContact C-N 3.35Å; V106-N108 VanDerWaalsContact C-N 3.33Å; V106-N108 PolarHBondContact O-N 2.83Å; V106-A109 PolarHBondContact O-N 2.79Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.48Å; V106-A110 PolarHBondContact O-N 3.48Å
107I98.7Very high97.6Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-61.5-44.5178.3-60.6-52.4000110.9T103 A110 A111 V118 A168 E171 A172 L179T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 WeakPolarHBondContact O-CG1 3.3Å; T103-I107 PolarHBondContact O-N 3.45Å; I107-A110 PolarHBondContact O-N 2.84Å; I107-A111 WeakPolarHBondContact O-CB 3.3Å; I107-A111 PolarHBondContact O-N 2.8Å; I107-V118 HydrophobicContact CD1-CB 4.28Å; I107-V118 HydrophobicContact CD1-CG1 3.77Å; I107-V118 HydrophobicContact CD1-CG2 4.48Å; I107-A168 HydrophobicContact CD1-CB 4.41Å; I107-A168 HydrophobicContact CG1-CB 4.21Å; I107-E171 HydrophobicContact CB-CB 4.18Å; I107-E171 HydrophobicContact CG2-CB 3.82Å; I107-A172 HydrophobicContact CG2-CB 4.06Å; I107-L179 HydrophobicContact CD1-CD1 3.98Å
108N98.4Very high97.7Very high12 Ų1231.4 Ų31.46%0.06417%0.168CC..Hα-helixtrans-67.5-39.4-180-80.8-57000112.8K104 N105 V106 A111 D112 E171 R175K104-N108 WeakPolarHBondContact CG-ND2 3.43Å; K104-N108 VanDerWaalsContact O-CB 3.29Å; K104-N108 WeakPolarHBondContact O-CB 3.39Å; K104-N108 PolarHBondContact O-N 3.01Å; K104-N108 PolarHBondContact O-ND2 2.98Å; N105-N108 PolarHBondContact O-N 2.94Å; V106-N108 VanDerWaalsContact C-N 3.33Å; V106-N108 PolarHBondContact O-N 2.83Å; N108-A111 PolarHBondContact O-N 3.22Å; N108-D112 PolarHBondContact O-N 3.37Å; N108-D112 VanDerWaalsContact O-OD1 3.06Å; N108-D112 VanDerWaalsContact O-OD2 3.08Å; N108-E171 PolarHBondContact ND2-OE2 2.94Å; N108-R175 PolarHBondContact O-NH1 2.84Å; N108-R175 PolarHBondContact OD1-NH1 2.64Å
109A98.6Very high97.8Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-67-39.6175.100000112R69 L72 R73 F76 N105 V106 D112 M113R69-A109 HydrophobicContact CG-CB 4.22Å; L72-A109 HydrophobicContact CB-CB 3.69Å; L72-A109 HydrophobicContact CD1-CB 4.47Å; R73-A109 HydrophobicContact CG-CB 3.99Å; F76-A109 HydrophobicContact CD2-CB 3.86Å; F76-A109 HydrophobicContact CE2-CB 3.9Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3.28Å; V106-A109 PolarHBondContact O-N 2.79Å; A109-D112 PolarHBondContact O-N 3Å; A109-M113 WeakPolarHBondContact O-CG 3.48Å; A109-M113 PolarHBondContact O-N 3.44Å; A109-M113 VanDerWaalsContact O-N 3.08Å
110A98.6Very high97.9Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-60.1-47.5174.700000110.6F76 V82 V106 I107 D112 M113 G114 V115 V118F76-A110 HydrophobicContact CD2-CB 4.23Å; F76-A110 HydrophobicContact CE2-CB 4.41Å; V82-A110 HydrophobicContact CG2-CB 4.4Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.48Å; V106-A110 PolarHBondContact O-N 3.48Å; I107-A110 PolarHBondContact O-N 2.84Å; A110-D112 PolarHBondContact O-N 3.39Å; A110-M113 PolarHBondContact O-N 2.73Å; A110-G114 PolarHBondContact O-N 3.33Å; A110-V115 HydrophobicContact CB-CB 3.95Å; A110-V115 HydrophobicContact CB-CG1 4.35Å; A110-V115 HydrophobicContact CB-CG2 4.24Å; A110-V115 WeakPolarHBondContact O-CB 3.38Å; A110-V115 PolarHBondContact O-N 2.73Å; A110-V118 HydrophobicContact CB-CG2 3.77Å
111A98.2Very high98Very high18 Ų1829.3 Ų29.315%0.14915%0.154CC..Hα-helixtrans-60.2-42.4174.800000112.8I107 N108 M113 G114 R175 V177I107-A111 WeakPolarHBondContact O-CB 3.3Å; I107-A111 PolarHBondContact O-N 2.8Å; N108-A111 PolarHBondContact O-N 3.22Å; A111-M113 PolarHBondContact O-N 3.45Å; A111-G114 PolarHBondContact O-N 3.06Å; A111-R175 HydrophobicContact CB-CB 3.76Å; A111-R175 HydrophobicContact CB-CG 4.21Å; A111-V177 HydrophobicContact CB-CG2 3.63Å
112D98.1Very high98Very high44 Ų4425.3 Ų25.324%0.23514%0.135CC..Hα-helixtrans-62.2-33.3178.5-59.6-27.1000112.4R69 R73 N108 A109 A110 G114 R175R69-D112 IonicContact CZ-OD2 3.05Å; R69-D112 IonicContact NE-OD2 3.83Å; R69-D112 PolarHBondContact NE-OD2 2.95Å; R69-D112 IonicContact NH2-OD1 3.11Å; R69-D112 PolarHBondContact NH2-OD1 3.21Å; R69-D112 IonicContact NH2-OD2 3.29Å; R69-D112 PolarHBondContact NH2-OD2 3.48Å; R73-D112 HydrophobicContact CG-CB 4.47Å; R73-D112 IonicContact CZ-OD2 2.63Å; R73-D112 IonicContact NE-OD2 3.31Å; R73-D112 PolarHBondContact NE-OD2 3.04Å; R73-D112 VanDerWaalsContact NH2-CG 3.35Å; R73-D112 IonicContact NH2-OD1 3.98Å; R73-D112 IonicContact NH2-OD2 2.83Å; R73-D112 PolarHBondContact NH2-OD2 3.34Å; N108-D112 PolarHBondContact O-N 3.37Å; N108-D112 VanDerWaalsContact O-OD1 3.06Å; N108-D112 VanDerWaalsContact O-OD2 3.08Å; A109-D112 PolarHBondContact O-N 3Å; A110-D112 PolarHBondContact O-N 3.39Å; D112-G114 VanDerWaalsContact C-N 3.33Å; D112-R175 IonicContact OD1-CZ 2.81Å; D112-R175 IonicContact OD1-NH1 3.8Å; D112-R175 PolarHBondContact OD1-NH1 3.29Å; D112-R175 IonicContact OD1-NH2 3.76Å; D112-R175 PolarHBondContact OD1-NH2 3.43Å
113M98.1Very high98Very high71 Ų7125.8 Ų25.835%0.3514%0.138SC..THydrogen-bonded Turntrans-90.36.4-180-61.1-62.78500113.4R73 F76 A77 A109 A110 A111 V115R73-M113 HydrophobicContact CB-CE 4.35Å; R73-M113 HydrophobicContact CB-CG 4.14Å; R73-M113 HydrophobicContact CB-SD 3.91Å; R73-M113 HydrophobicContact CG-CE 4.19Å; R73-M113 HydrophobicContact CG-CG 4.24Å; R73-M113 HydrophobicContact CG-SD 4.29Å; F76-M113 HydrophobicContact CB-CB 4.27Å; F76-M113 HydrophobicContact CB-CG 4.11Å; A77-M113 HydrophobicContact CB-SD 4.38Å; A109-M113 WeakPolarHBondContact O-CG 3.48Å; A109-M113 PolarHBondContact O-N 3.44Å; A109-M113 VanDerWaalsContact O-N 3.08Å; A110-M113 PolarHBondContact O-N 2.73Å; A111-M113 PolarHBondContact O-N 3.45Å; M113-V115 VanDerWaalsContact C-N 3.29Å; M113-V115 HydrophobicContact CB-CG2 4.39Å; M113-V115 PolarHBondContact O-N 3.43Å
114G97.5Very high97.8Very high54 Ų5426.3 Ų26.356%0.55714%0.14SC*.THydrogen-bonded Turntrans73.316.3178.500000114.7A110 A111 D112 K116A110-G114 PolarHBondContact O-N 3.33Å; A111-G114 PolarHBondContact O-N 3.06Å; D112-G114 VanDerWaalsContact C-N 3.33Å; G114-K116 PolarHBondContact O-N 2.96Å
115V97.9Very high97.6Very high4 Ų422.8 Ų22.82%0.02413%0.126CC..  trans-64.6122.5175.6178.40000108.9F76 V82 A110 M113 R117 V118F76-V115 HydrophobicContact CB-CG2 4.33Å; V82-V115 HydrophobicContact CB-CG1 4.3Å; V82-V115 HydrophobicContact CG2-CB 4.45Å; V82-V115 HydrophobicContact CG2-CG1 3.87Å; V82-V115 HydrophobicContact CG2-CG2 3.96Å; A110-V115 HydrophobicContact CB-CB 3.95Å; A110-V115 HydrophobicContact CB-CG1 4.35Å; A110-V115 HydrophobicContact CB-CG2 4.24Å; A110-V115 WeakPolarHBondContact O-CB 3.38Å; A110-V115 PolarHBondContact O-N 2.73Å; M113-V115 VanDerWaalsContact C-N 3.29Å; M113-V115 HydrophobicContact CB-CG2 4.39Å; M113-V115 PolarHBondContact O-N 3.43Å; V115-R117 WeakPolarHBondContact CG1-O 3.32Å; V115-V118 HydrophobicContact CG1-CG2 4.34Å
116K89.4Confident97.6Very high171 Ų17121.3 Ų21.374%0.74312%0.118SC*.  trans-81.8-34-174.4-68.3-179.1179.6175.90113.3G114 N178G114-K116 PolarHBondContact O-N 2.96Å; K116-N178 VanDerWaalsContact O-CB 3.28Å; K116-N178 WeakPolarHBondContact O-CB 3.46Å; K116-N178 PolarHBondContact O-N 3.48Å
117R97.8Very high97.5Very high38 Ų3821.3 Ų21.314%0.14312%0.118CC..EExtended strand (participates in β ladder)trans-130.9127.4-172-176.2170.9-78.3-170.8-6111.5G81 V82 V115 N178 L180 Y235 H237 P238G81-R117 WeakPolarHBondContact CA-O 3.43Å; V82-R117 PolarHBondContact N-O 2.8Å; V82-R117 VanDerWaalsContact N-O 3.12Å; V115-R117 WeakPolarHBondContact CG1-O 3.32Å; R117-N178 WeakPolarHBondContact CA-O 3.12Å; R117-N178 PolarHBondContact NH2-ND2 3.4Å; R117-L180 HydrophobicContact CG-CD1 3.78Å; R117-Y235 HydrophobicContact CB-CD2 4.38Å; R117-Y235 HydrophobicContact CB-CE2 4.02Å; R117-Y235 WeakPolarHBondContact CD-O 3.04Å; R117-Y235 HydrophobicContact CG-CD2 3.82Å; R117-Y235 HydrophobicContact CG-CE2 3.99Å; R117-Y235 PolarHBondContact NH1-O 3.44Å; R117-H237 PolarHBondContact NH1-O 3.19Å; R117-P238 PolarHBondContact NH2-O 3.47Å
118V98.8Very high97.2Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-119.6129.1175.3-179.80000109.4V82 I107 A110 V115 V177 N178 L179 L180V82-V118 HydrophobicContact CB-CG2 4.27Å; V82-V118 CarbonylContact O-C 3.53Å; V82-V118 VanDerWaalsContact O-CA 3.25Å; V82-V118 WeakPolarHBondContact O-CA 3.31Å; I107-V118 HydrophobicContact CD1-CB 4.28Å; I107-V118 HydrophobicContact CD1-CG1 3.77Å; I107-V118 HydrophobicContact CD1-CG2 4.48Å; A110-V118 HydrophobicContact CB-CG2 3.77Å; V115-V118 HydrophobicContact CG1-CG2 4.34Å; V118-V177 HydrophobicContact CB-CG1 4.1Å; V118-V177 HydrophobicContact CG2-CG1 3.52Å; V118-N178 PolarHBondContact N-O 3.05Å; V118-L179 HydrophobicContact CB-CD1 4.23Å; V118-L179 HydrophobicContact CG1-CD1 4.18Å; V118-L179 WeakPolarHBondContact O-CA 3.33Å; V118-L180 PolarHBondContact O-N 2.81Å
119V98.9Very high97Very high0 Ų024.9 Ų24.90%013%0.134CC..EExtended strand (participates in β ladder)trans-102.4113.1168.9-171.30000109V82 F83 H84 L180 V182 H231 V234 Y235V82-V119 PolarHBondContact O-N 3.27Å; F83-V119 CarbonylContact C-O 3.55Å; F83-V119 WeakPolarHBondContact CA-O 3.42Å; F83-V119 HydrophobicContact CD1-CB 3.63Å; F83-V119 HydrophobicContact CD1-CG1 4.24Å; F83-V119 HydrophobicContact CD1-CG2 3.83Å; F83-V119 HydrophobicContact CE1-CB 4Å; F83-V119 HydrophobicContact CE1-CG2 3.66Å; F83-V119 HydrophobicContact CG-CB 4.45Å; F83-V119 HydrophobicContact CZ-CG2 4.46Å; H84-V119 PolarHBondContact N-O 3.26Å; V119-L180 CarbonylContact C-O 3.44Å; V119-L180 WeakPolarHBondContact CA-O 3.41Å; V119-L180 HydrophobicContact CG1-CB 4.44Å; V119-L180 HydrophobicContact CG2-CB 4.19Å; V119-L180 HydrophobicContact CG2-CD1 4.02Å; V119-V182 HydrophobicContact CG1-CG2 3.87Å; V119-H231 HydrophobicContact CG1-CB 4.4Å; V119-H231 VanDerWaalsContact CG1-CD2 3.5Å; V119-H231 WeakPolarHBondContact CG1-CD2 3.34Å; V119-V234 HydrophobicContact CG1-CG2 3.76Å; V119-V234 HydrophobicContact CG2-CG2 4.15Å; V119-Y235 HydrophobicContact CG2-CD2 4.09Å; V119-Y235 HydrophobicContact CG2-CG 4.45Å
120F98.9Very high96.8Very high2 Ų226.9 Ų26.91%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-94.5126.7176.8174.9-117.4000110.9H84 T103 S122 A164 E165 A168 L179 L180 V181 V182H84-F120 HydrophobicContact CB-CD2 4.21Å; H84-F120 AromaticContact CD2-CD2 3.47Å; H84-F120 VanDerWaalsContact CD2-CD2 3.47Å; H84-F120 WeakPolarHBondContact CD2-CD2 3.44Å; H84-F120 AromaticContact CD2-CE2 3.64Å; T103-F120 HydrophobicContact CG2-CD2 4.33Å; T103-F120 HydrophobicContact CG2-CE2 3.93Å; T103-F120 HydrophobicContact CG2-CZ 4.35Å; F120-S122 PolarHBondContact O-N 3.42Å; F120-A164 HydrophobicContact CZ-CB 3.99Å; F120-E165 HydrophobicContact CD1-CB 4.49Å; F120-E165 HydrophobicContact CD1-CG 4.32Å; F120-E165 HydrophobicContact CE1-CB 3.79Å; F120-E165 HydrophobicContact CE1-CG 4.09Å; F120-A168 HydrophobicContact CD1-CB 4.36Å; F120-A168 HydrophobicContact CG-CB 4.43Å; F120-L179 HydrophobicContact CB-CD1 3.9Å; F120-L180 PolarHBondContact N-O 3.44Å; F120-V181 HydrophobicContact CB-CG2 4.46Å; F120-V181 HydrophobicContact CD1-CG1 4.01Å; F120-V181 HydrophobicContact CD1-CG2 4.33Å; F120-V181 WeakPolarHBondContact O-CA 3.23Å; F120-V182 PolarHBondContact O-N 2.64Å
121T98.9Very high96.6Very high7 Ų730.4 Ų30.44%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-80.7102.5169.2-470000108.6I19 H84 V85 K161 P184 H231I19-T121 HydrophobicContact CD1-CG2 4.49Å; H84-T121 PolarHBondContact O-N 2.9Å; H84-T121 PolarHBondContact O-OG1 3.38Å; V85-T121 WeakPolarHBondContact CA-OG1 3.39Å; V85-T121 HydrophobicContact CG1-CG2 4.5Å; V85-T121 WeakPolarHBondContact CG2-OG1 3.38Å; T121-K161 PolarHBondContact O-NZ 3.05Å; T121-P184 HydrophobicContact CG2-CG 3.86Å; T121-H231 PolarHBondContact OG1-NE2 3.24Å
122S98.5Very high96.4Very high1 Ų135.8 Ų35.81%0.00719%0.194CC..  trans-82.3-143.4168.9-171.30000110.1F120 K161 E165 V181 V182F120-S122 PolarHBondContact O-N 3.42Å; S122-K161 VanDerWaalsContact O-CE 3.25Å; S122-K161 WeakPolarHBondContact O-CE 3.27Å; S122-E165 VanDerWaalsContact CB-OE2 3.24Å; S122-E165 WeakPolarHBondContact CB-OE2 3.23Å; S122-E165 PolarHBondContact OG-OE2 3.47Å; S122-V181 VanDerWaalsContact CB-CG1 3.49Å; S122-V182 PolarHBondContact N-O 3.15Å
123S98.1Very high96.2Very high10 Ų1036 Ų367%0.0719%0.191CC..  trans-158.9146.6178.2-178.80000109.8G125 A126 Y157 V183S123-G125 PolarHBondContact O-N 2.81Å; S123-G125 PolarHBondContact OG-N 2.68Å; S123-G125 VanDerWaalsContact OG-N 3.1Å; S123-A126 WeakPolarHBondContact O-CB 3.46Å; S123-A126 PolarHBondContact O-N 2.96Å; S123-Y157 WeakPolarHBondContact CB-OH 3.31Å; S123-Y157 WeakPolarHBondContact OG-CE1 3.37Å; S123-Y157 PolarHBondContact OG-OH 2.79Å; S123-V183 VanDerWaalsContact O-CG1 3.28Å; S123-V183 WeakPolarHBondContact O-CG1 3.19Å
124Y94.8Very high95.9Very high14 Ų1440.4 Ų40.46%0.05520%0.204CC..THydrogen-bonded Turntrans-49.9-25.4164.8171.4-103.5000112.1A126 V127 H128 P184 I247 Y284Y124-A126 PolarHBondContact O-N 2.69Å; Y124-V127 PolarHBondContact O-N 3Å; Y124-H128 HydrophobicContact CD1-CB 4.28Å; Y124-H128 AromaticContact CD1-CE1 3.58Å; Y124-H128 AromaticContact CD1-CG 3.76Å; Y124-H128 AromaticContact CD1-ND1 3.3Å; Y124-H128 VanDerWaalsContact CD1-ND1 3.3Å; Y124-H128 WeakPolarHBondContact CD1-ND1 3.31Å; Y124-H128 HydrophobicContact CD2-CB 4.21Å; Y124-H128 HydrophobicContact CE1-CB 3.58Å; Y124-H128 AromaticContact CE1-CD2 3.44Å; Y124-H128 VanDerWaalsContact CE1-CD2 3.44Å; Y124-H128 WeakPolarHBondContact CE1-CD2 3.09Å; Y124-H128 AromaticContact CE1-CE1 3.5Å; Y124-H128 VanDerWaalsContact CE1-CE1 3.5Å; Y124-H128 WeakPolarHBondContact CE1-CE1 3.48Å; Y124-H128 AromaticContact CE1-CG 3.15Å; Y124-H128 AromaticContact CE1-ND1 3.21Å; Y124-H128 WeakPolarHBondContact CE1-ND1 3.24Å; Y124-H128 AromaticContact CE1-NE2 3.61Å; Y124-H128 HydrophobicContact CE2-CB 3.5Å; Y124-H128 AromaticContact CG-ND1 3.92Å; Y124-H128 AromaticContact CZ-CD2 3.79Å; Y124-H128 AromaticContact CZ-CG 3.3Å; Y124-H128 AromaticContact CZ-ND1 3.76Å; Y124-H128 PolarHBondContact O-N 3.22Å; Y124-H128 VanDerWaalsContact O-N 3.11Å; Y124-H128 PolarHBondContact O-ND1 3.21Å; Y124-H128 WeakPolarHBondContact OH-CB 3.33Å; Y124-P184 VanDerWaalsContact CB-O 3.26Å; Y124-P184 WeakPolarHBondContact CB-O 3.49Å; Y124-P184 PolarHBondContact N-O 2.71Å; Y124-I247 HydrophobicContact CD2-CD1 4.08Å; Y124-I247 HydrophobicContact CE2-CD1 4.34Å; Y124-Y284 AromaticContact CE2-CZ 3.91Å; Y124-Y284 WeakPolarHBondContact CE2-OH 3.3Å; Y124-Y284 AromaticContact CZ-CZ 3.8Å; Y124-Y284 WeakPolarHBondContact OH-CE1 3.35Å; Y124-Y284 PolarHBondContact OH-OH 2.99Å
125G95.2Very high95.4Very high2 Ų243.7 Ų43.72%0.02122%0.219CC..Hα-helixtrans-52.6-28.9167.900000115.8S123 V127 S145 C158S123-G125 PolarHBondContact O-N 2.81Å; S123-G125 PolarHBondContact OG-N 2.68Å; S123-G125 VanDerWaalsContact OG-N 3.1Å; G125-V127 VanDerWaalsContact C-N 3.33Å; G125-S145 PolarHBondContact O-OG 3.48Å; G125-C158 WeakPolarHBondContact O-CB 3.13Å
126A97.3Very high95.1Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-84.6-3.1175.900000113.9S123 Y124 W144 S145 M162S123-A126 WeakPolarHBondContact O-CB 3.46Å; S123-A126 PolarHBondContact O-N 2.96Å; Y124-A126 PolarHBondContact O-N 2.69Å; A126-W144 WeakPolarHBondContact O-CA 3.48Å; A126-S145 PolarHBondContact O-N 2.78Å; A126-S145 PolarHBondContact O-OG 2.78Å; A126-M162 HydrophobicContact CB-CB 3.98Å
127V97Very high95.3Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-113.5-44.8-176.1176.20000112.4Y124 G125 R133 V139 C143 W144 S145 V183 R243 L245Y124-V127 PolarHBondContact O-N 3Å; G125-V127 VanDerWaalsContact C-N 3.33Å; V127-R133 PolarHBondContact O-NH2 2.8Å; V127-V139 HydrophobicContact CG1-CG1 3.51Å; V127-C143 HydrophobicContact CG1-CB 3.73Å; V127-W144 CarbonylContact O-C 3.5Å; V127-S145 PolarHBondContact N-OG 3.26Å; V127-S145 VanDerWaalsContact N-OG 3.15Å; V127-S145 PolarHBondContact O-N 2.65Å; V127-V183 HydrophobicContact CG2-CG1 3.7Å; V127-R243 VanDerWaalsContact CG2-NH2 3.32Å; V127-L245 HydrophobicContact CG2-CD2 3.91Å
128H92.3Very high95.3Very high60 Ų6045.4 Ų45.428%0.27824%0.235SC..Hα-helixtrans-94.5-17.6-161.576.9-76.8000116.9Y124 N130 S145Y124-H128 HydrophobicContact CD1-CB 4.28Å; Y124-H128 AromaticContact CD1-CE1 3.58Å; Y124-H128 AromaticContact CD1-CG 3.76Å; Y124-H128 AromaticContact CD1-ND1 3.3Å; Y124-H128 VanDerWaalsContact CD1-ND1 3.3Å; Y124-H128 WeakPolarHBondContact CD1-ND1 3.31Å; Y124-H128 HydrophobicContact CD2-CB 4.21Å; Y124-H128 HydrophobicContact CE1-CB 3.58Å; Y124-H128 AromaticContact CE1-CD2 3.44Å; Y124-H128 VanDerWaalsContact CE1-CD2 3.44Å; Y124-H128 WeakPolarHBondContact CE1-CD2 3.09Å; Y124-H128 AromaticContact CE1-CE1 3.5Å; Y124-H128 VanDerWaalsContact CE1-CE1 3.5Å; Y124-H128 WeakPolarHBondContact CE1-CE1 3.48Å; Y124-H128 AromaticContact CE1-CG 3.15Å; Y124-H128 AromaticContact CE1-ND1 3.21Å; Y124-H128 WeakPolarHBondContact CE1-ND1 3.24Å; Y124-H128 AromaticContact CE1-NE2 3.61Å; Y124-H128 HydrophobicContact CE2-CB 3.5Å; Y124-H128 AromaticContact CG-ND1 3.92Å; Y124-H128 AromaticContact CZ-CD2 3.79Å; Y124-H128 AromaticContact CZ-CG 3.3Å; Y124-H128 AromaticContact CZ-ND1 3.76Å; Y124-H128 PolarHBondContact O-N 3.22Å; Y124-H128 VanDerWaalsContact O-N 3.11Å; Y124-H128 PolarHBondContact O-ND1 3.21Å; Y124-H128 WeakPolarHBondContact OH-CB 3.33Å; H128-N130 PolarHBondContact O-N 2.99Å; H128-S145 PolarHBondContact N-OG 2.86Å
129M93.5Very high95.2Very high27 Ų2745.6 Ų45.613%0.13324%0.237CC..  trans-83.564.2-171.4-64-63.1-72.500110.5S145 D146 F149 C150 N155 C158M129-S145 WeakPolarHBondContact CB-OG 3.16Å; M129-S145 PolarHBondContact N-OG 2.99Å; M129-S145 WeakPolarHBondContact O-CA 3.47Å; M129-D146 PolarHBondContact O-N 3.36Å; M129-F149 HydrophobicContact CB-CD1 4.33Å; M129-F149 HydrophobicContact CE-CD1 4.31Å; M129-F149 HydrophobicContact CE-CE1 3.81Å; M129-C150 VanDerWaalsContact CB-SG 3.6Å; M129-N155 HydrophobicContact CE-CB 4.08Å; M129-N155 VanDerWaalsContact CE-ND2 3.33Å; M129-N155 WeakPolarHBondContact CE-ND2 3.13Å; M129-C158 HydrophobicContact CG-CB 4.02Å
130N95.9Very high95.2Very high42 Ų4248 Ų4823%0.22525%0.249CC..  trans-134.4106.2-178.7-171.9-26.8000110.1H128 N132 R133 W144 D146H128-N130 PolarHBondContact O-N 2.99Å; N130-N132 PolarHBondContact O-N 3.05Å; N130-N132 WeakPolarHBondContact OD1-CB 3.42Å; N130-N132 PolarHBondContact OD1-N 2.64Å; N130-R133 HydrophobicContact CB-CB 4.41Å; N130-R133 WeakPolarHBondContact O-CB 3.47Å; N130-R133 PolarHBondContact O-N 2.67Å; N130-R133 PolarHBondContact OD1-N 2.93Å; N130-W144 PolarHBondContact ND2-O 3.41Å; N130-D146 HydrophobicContact CB-CB 4.48Å
131P92.9Very high95.1Very high74 Ų7449.1 Ų49.148%0.48126%0.255SS..THydrogen-bonded Turntrans-70.9-18.2-178.131.2-36.7000112.9R133 F149P131-R133 VanDerWaalsContact C-N 3.3Å; P131-F149 HydrophobicContact CB-CD2 4.22Å; P131-F149 HydrophobicContact CB-CE2 4.14Å; P131-F149 HydrophobicContact CB-CZ 4.49Å; P131-F149 HydrophobicContact CG-CB 4.17Å; P131-F149 HydrophobicContact CG-CD1 4.42Å; P131-F149 HydrophobicContact CG-CD2 3.62Å; P131-F149 HydrophobicContact CG-CE2 4.06Å; P131-F149 HydrophobicContact CG-CG 3.81Å
132N93.8Very high95Very high131 Ų13152.7 Ų52.770%0.70128%0.28SS*.THydrogen-bonded Turntrans-87.2-1.8-179.7-57.9-40.4000112.5N130 R134N130-N132 PolarHBondContact O-N 3.05Å; N130-N132 WeakPolarHBondContact OD1-CB 3.42Å; N130-N132 PolarHBondContact OD1-N 2.64Å; N132-R134 PolarHBondContact O-N 3.27Å
133R94.2Very high95Very high47 Ų4752.8 Ų52.818%0.17728%0.28CS..SBendtrans-67.5129.3178-171.3176.5-49.5-60.8-4.3110.2V127 N130 P131 Q137 C143 W144V127-R133 PolarHBondContact O-NH2 2.8Å; N130-R133 HydrophobicContact CB-CB 4.41Å; N130-R133 WeakPolarHBondContact O-CB 3.47Å; N130-R133 PolarHBondContact O-N 2.67Å; N130-R133 PolarHBondContact OD1-N 2.93Å; P131-R133 VanDerWaalsContact C-N 3.3Å; R133-Q137 HydrophobicContact CG-CB 4.38Å; R133-C143 PolarHBondContact NH1-SG 2.85Å; R133-W144 PolarHBondContact NH2-O 3.02Å
134R91.9Very high95Very high165 Ų16555.4 Ų55.462%0.62329%0.289SS*.  trans-62.2139.5173-68.2171.346.9160.5-3.1110.5N132 D136 Q137N132-R134 PolarHBondContact O-N 3.27Å; R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.44Å; R134-D136 IonicContact CZ-OD1 3.14Å; R134-D136 IonicContact CZ-OD2 2.69Å; R134-D136 IonicContact NE-OD1 3.65Å; R134-D136 PolarHBondContact NE-OD1 3.41Å; R134-D136 IonicContact NE-OD2 3.45Å; R134-D136 VanDerWaalsContact NH2-CG 3.31Å; R134-D136 IonicContact NH2-OD1 2.91Å; R134-D136 PolarHBondContact NH2-OD1 2.94Å; R134-D136 VanDerWaalsContact NH2-OD1 3.14Å; R134-D136 IonicContact NH2-OD2 3.96Å; R134-D136 PolarHBondContact NH2-OD2 2.84Å; R134-D136 PolarHBondContact O-N 3.29Å; R134-Q137 HydrophobicContact CB-CB 4.2Å; R134-Q137 WeakPolarHBondContact O-CB 3.29Å; R134-Q137 PolarHBondContact O-N 3.13Å
135S86.9Confident95.1Very high123 Ų12355 Ų5586%0.8629%0.288SS*.THydrogen-bonded Turntrans-65.7-21.9-17855.10000114.2
136D91.2Very high95.2Very high91 Ų9157.2 Ų57.249%0.48730%0.299SS..THydrogen-bonded Turntrans-95.7-7.417969.2-29.7000113.9R134 I138R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.44Å; R134-D136 IonicContact CZ-OD1 3.14Å; R134-D136 IonicContact CZ-OD2 2.69Å; R134-D136 IonicContact NE-OD1 3.65Å; R134-D136 PolarHBondContact NE-OD1 3.41Å; R134-D136 IonicContact NE-OD2 3.45Å; R134-D136 VanDerWaalsContact NH2-CG 3.31Å; R134-D136 IonicContact NH2-OD1 2.91Å; R134-D136 PolarHBondContact NH2-OD1 2.94Å; R134-D136 VanDerWaalsContact NH2-OD1 3.14Å; R134-D136 IonicContact NH2-OD2 3.96Å; R134-D136 PolarHBondContact NH2-OD2 2.84Å; R134-D136 PolarHBondContact O-N 3.29Å; D136-I138 PolarHBondContact O-N 3.35Å
137Q95.4Very high95.2Very high70 Ų7058.8 Ų58.833%0.32731%0.308SS..  trans-66.8131.4178.7-177.7176.45.600110.6R133 R134 V139R133-Q137 HydrophobicContact CG-CB 4.38Å; R134-Q137 HydrophobicContact CB-CB 4.2Å; R134-Q137 WeakPolarHBondContact O-CB 3.29Å; R134-Q137 PolarHBondContact O-N 3.13Å; Q137-V139 PolarHBondContact O-N 3.05Å
138I97.1Very high95.2Very high87 Ų8763.6 Ų63.645%0.44633%0.33SS..  trans-70.5123.9170-62.8171.5000108.2D136 D140 K285D136-I138 PolarHBondContact O-N 3.35Å; I138-D140 PolarHBondContact O-N 2.97Å; I138-K285 HydrophobicContact CG1-CB 4.05Å
139V97.5Very high95.4Very high5 Ų563.6 Ų63.63%0.0333%0.329CS..BIsolated β-bridgetrans-75.6113.6174178.80000109.3V127 Q137 C143 L245 Y284 K285 F286 S287V127-V139 HydrophobicContact CG1-CG1 3.51Å; Q137-V139 PolarHBondContact O-N 3.05Å; V139-C143 HydrophobicContact CG1-CB 4.45Å; V139-L245 HydrophobicContact CG1-CD1 4.16Å; V139-Y284 HydrophobicContact CB-CD2 4.08Å; V139-Y284 HydrophobicContact CB-CE2 4.14Å; V139-Y284 HydrophobicContact CG2-CD2 3.56Å; V139-Y284 HydrophobicContact CG2-CE2 3.94Å; V139-Y284 HydrophobicContact CG2-CG 4.23Å; V139-K285 PolarHBondContact N-O 2.97Å; V139-F286 HydrophobicContact CB-CB 4.2Å; V139-F286 CarbonylContact O-C 3.58Å; V139-F286 WeakPolarHBondContact O-CA 3.36Å; V139-F286 WeakPolarHBondContact O-CB 3.44Å; V139-S287 PolarHBondContact O-N 3.35Å
140D97.7Very high95.6Very high49 Ų4962.3 Ų62.326%0.26232%0.323SS..  trans-132.2-172.2179.266.812.9000110.9I138 S142 C143 L245I138-D140 PolarHBondContact O-N 2.97Å; D140-S142 PolarHBondContact O-N 3.1Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.46Å; D140-S142 PolarHBondContact OD1-N 3.15Å; D140-S142 PolarHBondContact OD1-OG 3.44Å; D140-C143 WeakPolarHBondContact O-CB 3.49Å; D140-C143 PolarHBondContact O-N 3.44Å; D140-C143 VanDerWaalsContact O-N 3.13Å; D140-L245 VanDerWaalsContact C-CD1 3.48Å
141E97.7Very high95.6Very high27 Ų2765 Ų6513%0.12633%0.333CS..THydrogen-bonded Turntrans-63.8-19-179-71.181.7-176.900114.7C143 R243 L245 R290E141-C143 VanDerWaalsContact C-N 3.25Å; E141-C143 PolarHBondContact O-N 2.98Å; E141-R243 HydrophobicContact CB-CB 4.01Å; E141-R243 HydrophobicContact CG-CB 3.92Å; E141-R243 WeakPolarHBondContact CG-O 3.34Å; E141-R243 WeakPolarHBondContact O-CD 3.37Å; E141-R243 PolarHBondContact O-NH1 3.41Å; E141-L245 HydrophobicContact CG-CD2 4.44Å; E141-L245 HydrophobicContact CG-CG 4.02Å; E141-L245 PolarHBondContact OE1-N 3.28Å; E141-R290 WeakPolarHBondContact OE2-CD 3.44Å
142S97Very high95.8Very high82 Ų8268.5 Ų68.557%0.57334%0.343SS*.THydrogen-bonded Turntrans-75.8-17.5176.878.30000112.5D140D140-S142 PolarHBondContact O-N 3.1Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.46Å; D140-S142 PolarHBondContact OD1-N 3.15Å; D140-S142 PolarHBondContact OD1-OG 3.44Å
143C97.6Very high95.9Very high2 Ų265 Ų651%0.01433%0.326CS..  trans-77.3132.9-175.7-68.60000112.2V127 R133 V139 D140 E141 R243V127-C143 HydrophobicContact CG1-CB 3.73Å; R133-C143 PolarHBondContact NH1-SG 2.85Å; V139-C143 HydrophobicContact CG1-CB 4.45Å; D140-C143 WeakPolarHBondContact O-CB 3.49Å; D140-C143 PolarHBondContact O-N 3.44Å; D140-C143 VanDerWaalsContact O-N 3.13Å; E141-C143 VanDerWaalsContact C-N 3.25Å; E141-C143 PolarHBondContact O-N 2.98Å; C143-R243 PolarHBondContact O-NH1 2.93Å
144W98Very high96Very high65 Ų6569.3 Ų69.325%0.24635%0.348CS..  trans-121.5148.1172.3-69.787.1000111.6A126 V127 N130 R133 M162 E165 R166 M169A126-W144 WeakPolarHBondContact O-CA 3.48Å; V127-W144 CarbonylContact O-C 3.5Å; N130-W144 PolarHBondContact ND2-O 3.41Å; R133-W144 PolarHBondContact NH2-O 3.02Å; W144-M162 HydrophobicContact CE3-CG 4Å; W144-M162 HydrophobicContact CE3-SD 4.24Å; W144-M162 HydrophobicContact CZ3-CG 4.15Å; W144-E165 HydrophobicContact CH2-CB 4.4Å; W144-E165 HydrophobicContact CH2-CG 3.91Å; W144-E165 HydrophobicContact CZ3-CB 4.33Å; W144-E165 HydrophobicContact CZ3-CG 4.26Å; W144-R166 HydrophobicContact CH2-CG 4.29Å; W144-R166 HydrophobicContact CZ3-CG 4.17Å; W144-M169 HydrophobicContact CH2-CE 3.85Å; W144-M169 HydrophobicContact CH2-SD 3.94Å; W144-M169 HydrophobicContact CZ2-CE 3.93Å; W144-M169 HydrophobicContact CZ2-SD 4.04Å
145S97.6Very high96.1Very high5 Ų563.6 Ų63.64%0.03533%0.33CS..  trans-63.8159.2163-69.10000110.8G125 A126 V127 H128 M129G125-S145 PolarHBondContact O-OG 3.48Å; A126-S145 PolarHBondContact O-N 2.78Å; A126-S145 PolarHBondContact O-OG 2.78Å; V127-S145 PolarHBondContact N-OG 3.26Å; V127-S145 VanDerWaalsContact N-OG 3.15Å; V127-S145 PolarHBondContact O-N 2.65Å; H128-S145 PolarHBondContact N-OG 2.86Å; M129-S145 WeakPolarHBondContact CB-OG 3.16Å; M129-S145 PolarHBondContact N-OG 2.99Å; M129-S145 WeakPolarHBondContact O-CA 3.47Å
146D97.7Very high96.6Very high49 Ų4960.2 Ų60.226%0.26230%0.299SS..  trans-94.8124.1173.7-175.9-82.2000109.6M129 N130 E148 F149 C150M129-D146 PolarHBondContact O-N 3.36Å; N130-D146 HydrophobicContact CB-CB 4.48Å; D146-E148 PolarHBondContact OD1-N 2.92Å; D146-E148 VanDerWaalsContact OD1-N 3.12Å; D146-F149 HydrophobicContact CB-CB 3.86Å; D146-F149 WeakPolarHBondContact OD1-CB 3.38Å; D146-F149 PolarHBondContact OD1-N 3Å; D146-C150 PolarHBondContact O-N 3.17Å; D146-C150 PolarHBondContact O-SG 3.39Å
147L96.5Very high96.9Very high33 Ų3358.7 Ų58.717%0.17329%0.286CS..Hα-helixtrans-65.7-43.3-175.7-84.4167000111.2C150 K151 Y159 M162 L163 R166L147-C150 PolarHBondContact O-N 2.69Å; L147-K151 WeakPolarHBondContact O-CB 3.25Å; L147-K151 PolarHBondContact O-N 3.02Å; L147-Y159 HydrophobicContact CB-CE2 4.3Å; L147-Y159 HydrophobicContact CD2-CD2 3.59Å; L147-Y159 HydrophobicContact CD2-CE2 3.51Å; L147-Y159 HydrophobicContact CD2-CG 4.32Å; L147-Y159 HydrophobicContact CG-CE2 4.5Å; L147-M162 HydrophobicContact CB-CE 4.09Å; L147-M162 HydrophobicContact CD2-CE 3.33Å; L147-M162 HydrophobicContact CD2-CG 4.28Å; L147-M162 HydrophobicContact CD2-SD 4.14Å; L147-M162 HydrophobicContact CG-CE 3.4Å; L147-M162 HydrophobicContact CG-SD 3.88Å; L147-L163 HydrophobicContact CD1-CD2 3.92Å; L147-L163 HydrophobicContact CD2-CD2 3.65Å; L147-L163 HydrophobicContact CD2-CG 3.83Å; L147-L163 HydrophobicContact CG-CD2 4.48Å; L147-R166 VanDerWaalsContact CD1-NH1 3.3Å
148E97.1Very high97Very high102 Ų10255.8 Ų55.848%0.47727%0.274SS..Hα-helixtrans-67.3-42-178.3-68.4-53129.800110.7D146 C150 K151 Q152D146-E148 PolarHBondContact OD1-N 2.92Å; D146-E148 VanDerWaalsContact OD1-N 3.12Å; E148-C150 PolarHBondContact O-N 2.87Å; E148-K151 PolarHBondContact O-N 2.84Å; E148-Q152 WeakPolarHBondContact O-CB 3.46Å; E148-Q152 WeakPolarHBondContact O-CG 3.46Å; E148-Q152 PolarHBondContact O-N 3.32Å
149F97.4Very high97.1Very high59 Ų5953.6 Ų53.626%0.25926%0.26SS..Hα-helixtrans-61-45.1173.9-177-108.7000111.7M129 P131 D146 K151 Q152 T153M129-F149 HydrophobicContact CB-CD1 4.33Å; M129-F149 HydrophobicContact CE-CD1 4.31Å; M129-F149 HydrophobicContact CE-CE1 3.81Å; P131-F149 HydrophobicContact CB-CD2 4.22Å; P131-F149 HydrophobicContact CB-CE2 4.14Å; P131-F149 HydrophobicContact CB-CZ 4.49Å; P131-F149 HydrophobicContact CG-CB 4.17Å; P131-F149 HydrophobicContact CG-CD1 4.42Å; P131-F149 HydrophobicContact CG-CD2 3.62Å; P131-F149 HydrophobicContact CG-CE2 4.06Å; P131-F149 HydrophobicContact CG-CG 3.81Å; D146-F149 HydrophobicContact CB-CB 3.86Å; D146-F149 WeakPolarHBondContact OD1-CB 3.38Å; D146-F149 PolarHBondContact OD1-N 3Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.83Å; F149-Q152 PolarHBondContact O-N 3.04Å; F149-T153 HydrophobicContact CD2-CG2 4.08Å; F149-T153 HydrophobicContact CE1-CG2 4.35Å; F149-T153 HydrophobicContact CE2-CG2 3.7Å; F149-T153 HydrophobicContact CZ-CG2 3.86Å; F149-T153 WeakPolarHBondContact O-CB 3.46Å; F149-T153 WeakPolarHBondContact O-CG2 3.12Å; F149-T153 PolarHBondContact O-N 3.17Å; F149-T153 PolarHBondContact O-OG1 3.11Å
150C97Very high97.1Very high0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-58.7-43175.6-69.20000111.6M129 D146 L147 E148 T153 Q154 N155 Y159M129-C150 VanDerWaalsContact CB-SG 3.6Å; D146-C150 PolarHBondContact O-N 3.17Å; D146-C150 PolarHBondContact O-SG 3.39Å; L147-C150 PolarHBondContact O-N 2.69Å; E148-C150 PolarHBondContact O-N 2.87Å; C150-T153 PolarHBondContact O-OG1 3.04Å; C150-Q154 PolarHBondContact O-N 3.48Å; C150-N155 HydrophobicContact CB-CB 4.49Å; C150-N155 PolarHBondContact O-N 3.14Å; C150-Y159 HydrophobicContact CB-CD2 4.27Å
151K95.8Very high97.1Very high98 Ų9851.7 Ų51.743%0.42625%0.251SS..Hα-helixtrans-67.3-48.9179.7-172.8178.8179.3-175.90112L147 E148 F149 T153 Q154 W156 Y159L147-K151 WeakPolarHBondContact O-CB 3.25Å; L147-K151 PolarHBondContact O-N 3.02Å; E148-K151 PolarHBondContact O-N 2.84Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.83Å; K151-T153 VanDerWaalsContact C-N 3.27Å; K151-T153 PolarHBondContact O-N 3.29Å; K151-Q154 PolarHBondContact O-N 3.42Å; K151-Q154 VanDerWaalsContact O-N 3.1Å; K151-W156 HydrophobicContact CG-CH2 3.83Å; K151-W156 HydrophobicContact CG-CZ3 4.15Å; K151-Y159 HydrophobicContact CB-CD2 4.29Å; K151-Y159 HydrophobicContact CB-CE2 4.29Å
152Q96.5Very high97.1Very high148 Ų14850.4 Ų50.469%0.69225%0.245SC*.Hα-helixtrans-60.8-35.9179-72.6171.810.700112.4E148 F149 Q154E148-Q152 WeakPolarHBondContact O-CB 3.46Å; E148-Q152 WeakPolarHBondContact O-CG 3.46Å; E148-Q152 PolarHBondContact O-N 3.32Å; F149-Q152 PolarHBondContact O-N 3.04Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å
153T95.6Very high97.1Very high58 Ų5848.3 Ų48.336%0.35623%0.227SC..THydrogen-bonded Turntrans-927.8178.858.80000113.7F149 C150 K151 N155F149-T153 HydrophobicContact CD2-CG2 4.08Å; F149-T153 HydrophobicContact CE1-CG2 4.35Å; F149-T153 HydrophobicContact CE2-CG2 3.7Å; F149-T153 HydrophobicContact CZ-CG2 3.86Å; F149-T153 WeakPolarHBondContact O-CB 3.46Å; F149-T153 WeakPolarHBondContact O-CG2 3.12Å; F149-T153 PolarHBondContact O-N 3.17Å; F149-T153 PolarHBondContact O-OG1 3.11Å; C150-T153 PolarHBondContact O-OG1 3.04Å; K151-T153 VanDerWaalsContact C-N 3.27Å; K151-T153 PolarHBondContact O-N 3.29Å; T153-N155 WeakPolarHBondContact CB-ND2 3.33Å; T153-N155 PolarHBondContact O-N 3.48Å; T153-N155 VanDerWaalsContact O-N 3.14Å; T153-N155 PolarHBondContact O-ND2 2.58Å; T153-N155 PolarHBondContact OG1-ND2 3.45Å
154Q96.2Very high97.2Very high138 Ų13848.2 Ų48.265%0.64523%0.226SC*.THydrogen-bonded Turntrans53.530.7-178.4-57.5-178.4-40.200113.8C150 K151 Q152 W156C150-Q154 PolarHBondContact O-N 3.48Å; K151-Q154 PolarHBondContact O-N 3.42Å; K151-Q154 VanDerWaalsContact O-N 3.1Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q154-W156 PolarHBondContact O-N 2.85Å
155N95.7Very high97.2Very high45 Ų4545.1 Ų45.124%0.24121%0.214CC..  trans-81.459.3173.2-80.3-74.6000110.4M129 C150 T153 Y157 C158 Y159M129-N155 HydrophobicContact CE-CB 4.08Å; M129-N155 VanDerWaalsContact CE-ND2 3.33Å; M129-N155 WeakPolarHBondContact CE-ND2 3.13Å; C150-N155 HydrophobicContact CB-CB 4.49Å; C150-N155 PolarHBondContact O-N 3.14Å; T153-N155 WeakPolarHBondContact CB-ND2 3.33Å; T153-N155 PolarHBondContact O-N 3.48Å; T153-N155 VanDerWaalsContact O-N 3.14Å; T153-N155 PolarHBondContact O-ND2 2.58Å; T153-N155 PolarHBondContact OG1-ND2 3.45Å; N155-Y157 VanDerWaalsContact C-N 3.25Å; N155-Y157 PolarHBondContact O-N 3.36Å; N155-C158 HydrophobicContact CB-CB 4.23Å; N155-C158 WeakPolarHBondContact O-CB 3.31Å; N155-C158 PolarHBondContact O-N 3.2Å; N155-Y159 PolarHBondContact O-N 2.89Å
156W97.5Very high97.3Very high51 Ų5149.4 Ų49.419%0.19323%0.23CC..Hα-helixtrans-59.4-32.1-173.5-65.7116.3000113.4N91 P93 L96 K151 Q154 Y159 A160N91-W156 PolarHBondContact OD1-N 2.94Å; P93-W156 HydrophobicContact CB-CD2 4.08Å; P93-W156 HydrophobicContact CB-CG 4.24Å; L96-W156 HydrophobicContact CD1-CE3 3.93Å; L96-W156 HydrophobicContact CD1-CZ3 4.16Å; K151-W156 HydrophobicContact CG-CH2 3.83Å; K151-W156 HydrophobicContact CG-CZ3 4.15Å; Q154-W156 PolarHBondContact O-N 2.85Å; W156-Y159 HydrophobicContact CE3-CD1 4.06Å; W156-Y159 HydrophobicContact CE3-CG 4.21Å; W156-Y159 HydrophobicContact CZ3-CD1 4.19Å; W156-Y159 HydrophobicContact CZ3-CE1 4.34Å; W156-Y159 HydrophobicContact CZ3-CG 4.39Å; W156-Y159 PolarHBondContact O-N 3.05Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.79Å
157Y97.1Very high97.3Very high59 Ų5948.2 Ų48.223%0.23122%0.224CC..Hα-helixtrans-60.4-47.7171.4172.1-105.6000112V89 S90 N91 S123 N155 Y159 A160 K161V89-Y157 HydrophobicContact CB-CE2 4.34Å; V89-Y157 HydrophobicContact CG1-CD2 4.29Å; V89-Y157 HydrophobicContact CG1-CE2 3.97Å; V89-Y157 HydrophobicContact CG2-CE2 4.3Å; S90-Y157 WeakPolarHBondContact O-CA 3.34Å; S90-Y157 WeakPolarHBondContact O-CB 3.25Å; N91-Y157 VanDerWaalsContact OD1-CB 3.28Å; N91-Y157 WeakPolarHBondContact OD1-CB 3.45Å; N91-Y157 PolarHBondContact OD1-N 3.49Å; S123-Y157 WeakPolarHBondContact CB-OH 3.31Å; S123-Y157 WeakPolarHBondContact OG-CE1 3.37Å; S123-Y157 PolarHBondContact OG-OH 2.79Å; N155-Y157 VanDerWaalsContact C-N 3.25Å; N155-Y157 PolarHBondContact O-N 3.36Å; Y157-Y159 VanDerWaalsContact C-N 3.34Å; Y157-A160 PolarHBondContact O-N 3.13Å; Y157-K161 HydrophobicContact CD2-CG 4.11Å; Y157-K161 HydrophobicContact CE1-CG 4.17Å; Y157-K161 HydrophobicContact CE2-CD 3.94Å; Y157-K161 HydrophobicContact CE2-CG 3.64Å; Y157-K161 WeakPolarHBondContact O-CG 3.28Å; Y157-K161 PolarHBondContact O-N 3.29Å
158C97.5Very high97.4Very high9 Ų946.6 Ų46.66%0.06122%0.216CC..Hα-helixtrans-66.5-41.1-179.4-62.70000110.9G125 M129 N155 K161 M162G125-C158 WeakPolarHBondContact O-CB 3.13Å; M129-C158 HydrophobicContact CG-CB 4.02Å; N155-C158 HydrophobicContact CB-CB 4.23Å; N155-C158 WeakPolarHBondContact O-CB 3.31Å; N155-C158 PolarHBondContact O-N 3.2Å; C158-K161 PolarHBondContact O-N 2.63Å; C158-M162 WeakPolarHBondContact O-CB 3.37Å; C158-M162 PolarHBondContact O-N 3.17Å; C158-M162 VanDerWaalsContact O-N 3.07Å
159Y97.8Very high97.5Very high42 Ų4244.7 Ų44.717%0.16521%0.208CC..Hα-helixtrans-56.8-51.5172.8-174.4-91.3000111.4L96 L147 C150 K151 N155 W156 Y157 K161 M162 L163L96-Y159 HydrophobicContact CD1-CD1 4.39Å; L96-Y159 HydrophobicContact CD1-CE1 4.41Å; L96-Y159 HydrophobicContact CD2-CD1 3.98Å; L147-Y159 HydrophobicContact CB-CE2 4.3Å; L147-Y159 HydrophobicContact CD2-CD2 3.59Å; L147-Y159 HydrophobicContact CD2-CE2 3.51Å; L147-Y159 HydrophobicContact CD2-CG 4.32Å; L147-Y159 HydrophobicContact CG-CE2 4.5Å; C150-Y159 HydrophobicContact CB-CD2 4.27Å; K151-Y159 HydrophobicContact CB-CD2 4.29Å; K151-Y159 HydrophobicContact CB-CE2 4.29Å; N155-Y159 PolarHBondContact O-N 2.89Å; W156-Y159 HydrophobicContact CE3-CD1 4.06Å; W156-Y159 HydrophobicContact CE3-CG 4.21Å; W156-Y159 HydrophobicContact CZ3-CD1 4.19Å; W156-Y159 HydrophobicContact CZ3-CE1 4.34Å; W156-Y159 HydrophobicContact CZ3-CG 4.39Å; W156-Y159 PolarHBondContact O-N 3.05Å; Y157-Y159 VanDerWaalsContact C-N 3.34Å; Y159-K161 PolarHBondContact O-N 2.54Å; Y159-M162 PolarHBondContact O-N 3Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CD1-CG 4.47Å; Y159-L163 HydrophobicContact CE1-CD1 3.24Å; Y159-L163 HydrophobicContact CE1-CG 4.14Å; Y159-L163 HydrophobicContact CE2-CD1 4.46Å; Y159-L163 PolarHBondContact O-N 2.89Å
160A97.9Very high97.5Very high8 Ų846.9 Ų46.97%0.06622%0.219CC..Hα-helixtrans-58.8-48.2179.300000112.3L96 A99 W156 Y157 M162 L163 A164L96-A160 HydrophobicContact CD2-CB 3.53Å; A99-A160 HydrophobicContact CB-CB 3.95Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.79Å; Y157-A160 PolarHBondContact O-N 3.13Å; A160-M162 VanDerWaalsContact C-N 3.32Å; A160-M162 PolarHBondContact O-N 3.26Å; A160-L163 PolarHBondContact O-N 3.47Å; A160-A164 WeakPolarHBondContact O-CB 3.38Å; A160-A164 PolarHBondContact O-N 3.41Å
161K98.2Very high97.6Very high6 Ų647.9 Ų47.93%0.02622%0.223CC..Hα-helixtrans-64.3-37.6-178.6-69.1-59.1-62.3173.20112.1T121 S122 Y157 C158 Y159 E165T121-K161 PolarHBondContact O-NZ 3.05Å; S122-K161 VanDerWaalsContact O-CE 3.25Å; S122-K161 WeakPolarHBondContact O-CE 3.27Å; Y157-K161 HydrophobicContact CD2-CG 4.11Å; Y157-K161 HydrophobicContact CE1-CG 4.17Å; Y157-K161 HydrophobicContact CE2-CD 3.94Å; Y157-K161 HydrophobicContact CE2-CG 3.64Å; Y157-K161 WeakPolarHBondContact O-CG 3.28Å; Y157-K161 PolarHBondContact O-N 3.29Å; C158-K161 PolarHBondContact O-N 2.63Å; Y159-K161 PolarHBondContact O-N 2.54Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 PolarHBondContact O-N 2.85Å
162M97.6Very high97.7Very high0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-68.4-45.8176.1176.2167.235.500112.2A126 W144 L147 C158 Y159 A160 E165 R166A126-M162 HydrophobicContact CB-CB 3.98Å; W144-M162 HydrophobicContact CE3-CG 4Å; W144-M162 HydrophobicContact CE3-SD 4.24Å; W144-M162 HydrophobicContact CZ3-CG 4.15Å; L147-M162 HydrophobicContact CB-CE 4.09Å; L147-M162 HydrophobicContact CD2-CE 3.33Å; L147-M162 HydrophobicContact CD2-CG 4.28Å; L147-M162 HydrophobicContact CD2-SD 4.14Å; L147-M162 HydrophobicContact CG-CE 3.4Å; L147-M162 HydrophobicContact CG-SD 3.88Å; C158-M162 WeakPolarHBondContact O-CB 3.37Å; C158-M162 PolarHBondContact O-N 3.17Å; C158-M162 VanDerWaalsContact O-N 3.07Å; Y159-M162 PolarHBondContact O-N 3Å; A160-M162 VanDerWaalsContact C-N 3.32Å; A160-M162 PolarHBondContact O-N 3.26Å; M162-E165 PolarHBondContact O-N 3.47Å; M162-R166 WeakPolarHBondContact O-CG 3.31Å; M162-R166 PolarHBondContact O-N 2.83Å
163L98Very high97.8Very high37 Ų3741.1 Ų41.119%0.19421%0.205CC..Hα-helixtrans-65.3-44.8177.2-72.3-171.9000111.8I100 L147 Y159 A160 E165 R166 T167I100-L163 HydrophobicContact CD1-CB 3.8Å; I100-L163 HydrophobicContact CD1-CD1 3.67Å; I100-L163 HydrophobicContact CD1-CG 4.41Å; I100-L163 HydrophobicContact CG1-CB 3.92Å; L147-L163 HydrophobicContact CD1-CD2 3.92Å; L147-L163 HydrophobicContact CD2-CD2 3.65Å; L147-L163 HydrophobicContact CD2-CG 3.83Å; L147-L163 HydrophobicContact CG-CD2 4.48Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CD1-CG 4.47Å; Y159-L163 HydrophobicContact CE1-CD1 3.24Å; Y159-L163 HydrophobicContact CE1-CG 4.14Å; Y159-L163 HydrophobicContact CE2-CD1 4.46Å; Y159-L163 PolarHBondContact O-N 2.89Å; A160-L163 PolarHBondContact O-N 3.47Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.18Å; L163-R166 PolarHBondContact O-N 2.81Å; L163-T167 WeakPolarHBondContact O-CB 3.44Å; L163-T167 PolarHBondContact O-N 2.84Å; L163-T167 PolarHBondContact O-OG1 3.01Å
164A98.6Very high97.9Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-57.4-40.7175.100000112A99 T103 F120 A160 T167 A168A99-A164 WeakPolarHBondContact O-CB 3.46Å; T103-A164 WeakPolarHBondContact CG2-O 3.44Å; F120-A164 HydrophobicContact CZ-CB 3.99Å; A160-A164 WeakPolarHBondContact O-CB 3.38Å; A160-A164 PolarHBondContact O-N 3.41Å; A164-T167 PolarHBondContact O-N 2.85Å; A164-A168 WeakPolarHBondContact O-CB 3.09Å; A164-A168 PolarHBondContact O-N 3.04Å
165E98.7Very high97.9Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-63.8-45.5175.6-168.8176.5164.700112.4F120 S122 W144 K161 M162 L163 A168 M169 V181 R243F120-E165 HydrophobicContact CD1-CB 4.49Å; F120-E165 HydrophobicContact CD1-CG 4.32Å; F120-E165 HydrophobicContact CE1-CB 3.79Å; F120-E165 HydrophobicContact CE1-CG 4.09Å; S122-E165 VanDerWaalsContact CB-OE2 3.24Å; S122-E165 WeakPolarHBondContact CB-OE2 3.23Å; S122-E165 PolarHBondContact OG-OE2 3.47Å; W144-E165 HydrophobicContact CH2-CB 4.4Å; W144-E165 HydrophobicContact CH2-CG 3.91Å; W144-E165 HydrophobicContact CZ3-CB 4.33Å; W144-E165 HydrophobicContact CZ3-CG 4.26Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 PolarHBondContact O-N 2.85Å; M162-E165 PolarHBondContact O-N 3.47Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.18Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 2.96Å; E165-M169 HydrophobicContact CG-CE 3.79Å; E165-M169 HydrophobicContact CG-SD 4.49Å; E165-M169 WeakPolarHBondContact O-CG 3.4Å; E165-M169 PolarHBondContact O-N 2.83Å; E165-M169 WeakPolarHBondContact OE1-CE 3.25Å; E165-V181 HydrophobicContact CG-CG1 4.14Å; E165-V181 HydrophobicContact CG-CG2 4.47Å; E165-R243 VanDerWaalsContact OE1-CD 3.27Å; E165-R243 WeakPolarHBondContact OE1-CD 3.34Å; E165-R243 WeakPolarHBondContact OE1-CG 3.37Å; E165-R243 IonicContact OE1-CZ 2.73Å; E165-R243 VanDerWaalsContact OE1-CZ 3.31Å; E165-R243 IonicContact OE1-NE 3.45Å; E165-R243 PolarHBondContact OE1-NE 3.27Å; E165-R243 IonicContact OE1-NH2 3.55Å; E165-R243 PolarHBondContact OE1-NH2 3.35Å; E165-R243 IonicContact OE2-CZ 3.58Å; E165-R243 IonicContact OE2-NE 2.81Å; E165-R243 IonicContact OE2-NH2 3.52Å; E165-R243 PolarHBondContact OE2-NH2 3.03Å
166R98.3Very high97.9Very high95 Ų9544.1 Ų44.136%0.35823%0.226SC..Hα-helixtrans-62.4-44.9175.9-70.8-178.8-179.7-173.81.4111.6W144 L147 M162 L163 A168 M169 E170W144-R166 HydrophobicContact CH2-CG 4.29Å; W144-R166 HydrophobicContact CZ3-CG 4.17Å; L147-R166 VanDerWaalsContact CD1-NH1 3.3Å; M162-R166 WeakPolarHBondContact O-CG 3.31Å; M162-R166 PolarHBondContact O-N 2.83Å; L163-R166 PolarHBondContact O-N 2.81Å; R166-A168 VanDerWaalsContact C-N 3.31Å; R166-A168 PolarHBondContact O-N 3.28Å; R166-M169 PolarHBondContact O-N 3.38Å; R166-E170 WeakPolarHBondContact O-CG 3.27Å; R166-E170 PolarHBondContact O-N 3.11Å
167T98.6Very high97.9Very high24 Ų2442.4 Ų42.415%0.14722%0.221CC..Hα-helixtrans-58.9-42.8174.4-60.30000111.4K104 L163 A164 M169 E170 E171K104-T167 HydrophobicContact CB-CG2 3.73Å; K104-T167 HydrophobicContact CG-CG2 4.45Å; L163-T167 WeakPolarHBondContact O-CB 3.44Å; L163-T167 PolarHBondContact O-N 2.84Å; L163-T167 PolarHBondContact O-OG1 3.01Å; A164-T167 PolarHBondContact O-N 2.85Å; T167-M169 PolarHBondContact O-N 3.02Å; T167-E170 PolarHBondContact O-N 2.6Å; T167-E171 HydrophobicContact CG2-CG 4.17Å; T167-E171 WeakPolarHBondContact O-CB 3.14Å; T167-E171 VanDerWaalsContact O-CG 3.23Å; T167-E171 WeakPolarHBondContact O-CG 3.32Å; T167-E171 PolarHBondContact O-N 2.99Å
168A98.7Very high97.9Very high0 Ų042.4 Ų42.40%023%0.225CC..Hα-helixtrans-59.4-47.8175.500000111.4T103 I107 F120 A164 E165 R166 A172 L179T103-A168 HydrophobicContact CG2-CB 3.65Å; I107-A168 HydrophobicContact CD1-CB 4.41Å; I107-A168 HydrophobicContact CG1-CB 4.21Å; F120-A168 HydrophobicContact CD1-CB 4.36Å; F120-A168 HydrophobicContact CG-CB 4.43Å; A164-A168 WeakPolarHBondContact O-CB 3.09Å; A164-A168 PolarHBondContact O-N 3.04Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 2.96Å; R166-A168 VanDerWaalsContact C-N 3.31Å; R166-A168 PolarHBondContact O-N 3.28Å; A168-A172 WeakPolarHBondContact O-CB 3.28Å; A168-A172 PolarHBondContact O-N 3.18Å; A168-L179 VanDerWaalsContact C-CD2 3.47Å; A168-L179 HydrophobicContact CB-CD1 4.36Å; A168-L179 HydrophobicContact CB-CD2 3.74Å
169M98.5Very high98Very high61 Ų6143 Ų4330%0.323%0.227SC..Hα-helixtrans-61.4-47.2179.7-69.8174177.300112W144 E165 R166 T167 S173 L179 V181 R243W144-M169 HydrophobicContact CH2-CE 3.85Å; W144-M169 HydrophobicContact CH2-SD 3.94Å; W144-M169 HydrophobicContact CZ2-CE 3.93Å; W144-M169 HydrophobicContact CZ2-SD 4.04Å; E165-M169 HydrophobicContact CG-CE 3.79Å; E165-M169 HydrophobicContact CG-SD 4.49Å; E165-M169 WeakPolarHBondContact O-CG 3.4Å; E165-M169 PolarHBondContact O-N 2.83Å; E165-M169 WeakPolarHBondContact OE1-CE 3.25Å; R166-M169 PolarHBondContact O-N 3.38Å; T167-M169 PolarHBondContact O-N 3.02Å; M169-S173 VanDerWaalsContact O-CB 3.31Å; M169-S173 WeakPolarHBondContact O-CB 3.24Å; M169-S173 PolarHBondContact O-N 2.93Å; M169-L179 HydrophobicContact CB-CD2 4.38Å; M169-L179 HydrophobicContact CG-CD2 3.9Å; M169-V181 HydrophobicContact CE-CG2 4.15Å; M169-R243 HydrophobicContact CE-CG 3.74Å
170E98.4Very high98Very high105 Ų10541 Ų4149%0.49122%0.22SC..Hα-helixtrans-62.6-49.9179.3-73.3173.2-162.200111.8R166 T167 S173 K174R166-E170 WeakPolarHBondContact O-CG 3.27Å; R166-E170 PolarHBondContact O-N 3.11Å; T167-E170 PolarHBondContact O-N 2.6Å; E170-S173 PolarHBondContact O-N 3.24Å; E170-K174 VanDerWaalsContact O-CG 3.27Å; E170-K174 WeakPolarHBondContact O-CG 3.2Å; E170-K174 PolarHBondContact O-N 3.48Å
171E98.4Very high98.1Very high21 Ų2140.6 Ų40.610%0.09822%0.217CC..Hα-helixtrans-69.1-37.9-177.8-64-65.5117.800111.5K104 I107 N108 T167 K174 R175K104-E171 HydrophobicContact CG-CG 4.04Å; I107-E171 HydrophobicContact CB-CB 4.18Å; I107-E171 HydrophobicContact CG2-CB 3.82Å; N108-E171 PolarHBondContact ND2-OE2 2.94Å; T167-E171 HydrophobicContact CG2-CG 4.17Å; T167-E171 WeakPolarHBondContact O-CB 3.14Å; T167-E171 VanDerWaalsContact O-CG 3.23Å; T167-E171 WeakPolarHBondContact O-CG 3.32Å; T167-E171 PolarHBondContact O-N 2.99Å; E171-K174 PolarHBondContact O-N 2.68Å; E171-K174 IonicContact OE1-NZ 2.73Å; E171-K174 PolarHBondContact OE1-NZ 3.34Å; E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.33Å; E171-R175 VanDerWaalsContact O-CG 3.24Å; E171-R175 WeakPolarHBondContact O-CG 3.37Å; E171-R175 PolarHBondContact O-N 3.01Å
172A98.3Very high98.1Very high2 Ų240.3 Ų40.32%0.01722%0.215CC..Hα-helixtrans-64.6-43.3176.400000111.1I107 A168 R175 G176 V177 L179I107-A172 HydrophobicContact CG2-CB 4.06Å; A168-A172 WeakPolarHBondContact O-CB 3.28Å; A168-A172 PolarHBondContact O-N 3.18Å; A172-R175 PolarHBondContact O-N 3.3Å; A172-G176 PolarHBondContact O-N 3.03Å; A172-V177 HydrophobicContact CB-CB 4.12Å; A172-V177 PolarHBondContact O-N 3.36Å; A172-L179 HydrophobicContact CB-CB 3.65Å; A172-L179 HydrophobicContact CB-CD2 4.15Å; A172-L179 HydrophobicContact CB-CG 4.39Å
173S97.5Very high98.2Very high102 Ų10240.4 Ų40.471%0.71322%0.216SC*.Hα-helixtrans-61.8-43.4175.4-173.10000112.1M169 E170 R175M169-S173 VanDerWaalsContact O-CB 3.31Å; M169-S173 WeakPolarHBondContact O-CB 3.24Å; M169-S173 PolarHBondContact O-N 2.93Å; E170-S173 PolarHBondContact O-N 3.24Å; S173-R175 VanDerWaalsContact C-N 3.29Å; S173-R175 PolarHBondContact O-N 2.86Å
174K97.7Very high98.2Very high140 Ų14038.9 Ų38.961%0.60921%0.208SC*.Hα-helixtrans-64.6-33.8178-72.1170.4-162.7165.20112.7E170 E171E170-K174 VanDerWaalsContact O-CG 3.27Å; E170-K174 WeakPolarHBondContact O-CG 3.2Å; E170-K174 PolarHBondContact O-N 3.48Å; E171-K174 PolarHBondContact O-N 2.68Å; E171-K174 IonicContact OE1-NZ 2.73Å; E171-K174 PolarHBondContact OE1-NZ 3.34Å
175R97.2Very high98.2Very high95 Ų9539.3 Ų39.336%0.35821%0.211SC..Hα-helixtrans-100.4-1.4-172.8-61.8-65.4-57.8-87.21.6113.9N108 A111 D112 E171 A172 S173 V177N108-R175 PolarHBondContact O-NH1 2.84Å; N108-R175 PolarHBondContact OD1-NH1 2.64Å; A111-R175 HydrophobicContact CB-CB 3.76Å; A111-R175 HydrophobicContact CB-CG 4.21Å; D112-R175 IonicContact OD1-CZ 2.81Å; D112-R175 IonicContact OD1-NH1 3.8Å; D112-R175 PolarHBondContact OD1-NH1 3.29Å; D112-R175 IonicContact OD1-NH2 3.76Å; D112-R175 PolarHBondContact OD1-NH2 3.43Å; E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.33Å; E171-R175 VanDerWaalsContact O-CG 3.24Å; E171-R175 WeakPolarHBondContact O-CG 3.37Å; E171-R175 PolarHBondContact O-N 3.01Å; A172-R175 PolarHBondContact O-N 3.3Å; S173-R175 VanDerWaalsContact C-N 3.29Å; S173-R175 PolarHBondContact O-N 2.86Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 HydrophobicContact CB-CG2 4.21Å; R175-V177 PolarHBondContact O-N 2.87Å
176G95.6Very high98.1Very high70 Ų7040.8 Ų40.872%0.72222%0.22SC*.THydrogen-bonded Turntrans69.924.7-178.600000114.3A172A172-G176 PolarHBondContact O-N 3.03Å
177V97.3Very high98.2Very high14 Ų1436.7 Ų36.79%0.08521%0.206CC..  trans-85131.2177.4176.10000109.5A111 V118 A172 R175 L179A111-V177 HydrophobicContact CB-CG2 3.63Å; V118-V177 HydrophobicContact CB-CG1 4.1Å; V118-V177 HydrophobicContact CG2-CG1 3.52Å; A172-V177 HydrophobicContact CB-CB 4.12Å; A172-V177 PolarHBondContact O-N 3.36Å; R175-V177 VanDerWaalsContact C-N 3.32Å; R175-V177 HydrophobicContact CB-CG2 4.21Å; R175-V177 PolarHBondContact O-N 2.87Å; V177-L179 PolarHBondContact O-N 2.86Å; V177-L179 VanDerWaalsContact O-N 3.1Å
178N97.8Very high98.2Very high59 Ų5935.6 Ų35.632%0.31620%0.2SC..EExtended strand (participates in β ladder)trans-73.7103172.4-175.9-6.3000109.8K116 R117 V118K116-N178 VanDerWaalsContact O-CB 3.28Å; K116-N178 WeakPolarHBondContact O-CB 3.46Å; K116-N178 PolarHBondContact O-N 3.48Å; R117-N178 WeakPolarHBondContact CA-O 3.12Å; R117-N178 PolarHBondContact NH2-ND2 3.4Å; V118-N178 PolarHBondContact N-O 3.05Å
179L98.7Very high98.1Very high21 Ų2135.6 Ų35.611%0.1120%0.2CC..EExtended strand (participates in β ladder)trans-94.4127.4178.7-176.372.2000111.9I107 V118 F120 A168 M169 A172 V177 V181I107-L179 HydrophobicContact CD1-CD1 3.98Å; V118-L179 HydrophobicContact CB-CD1 4.23Å; V118-L179 HydrophobicContact CG1-CD1 4.18Å; V118-L179 WeakPolarHBondContact O-CA 3.33Å; F120-L179 HydrophobicContact CB-CD1 3.9Å; A168-L179 VanDerWaalsContact C-CD2 3.47Å; A168-L179 HydrophobicContact CB-CD1 4.36Å; A168-L179 HydrophobicContact CB-CD2 3.74Å; M169-L179 HydrophobicContact CB-CD2 4.38Å; M169-L179 HydrophobicContact CG-CD2 3.9Å; A172-L179 HydrophobicContact CB-CB 3.65Å; A172-L179 HydrophobicContact CB-CD2 4.15Å; A172-L179 HydrophobicContact CB-CG 4.39Å; V177-L179 PolarHBondContact O-N 2.86Å; V177-L179 VanDerWaalsContact O-N 3.1Å; L179-V181 HydrophobicContact CD2-CG2 4.06Å; L179-V181 HydrophobicContact CG-CG2 4.09Å
180L98.7Very high98.1Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-113.1139169.6-62.5166.5000108.7R117 V118 V119 F120 V234 A240 Y244R117-L180 HydrophobicContact CG-CD1 3.78Å; V118-L180 PolarHBondContact O-N 2.81Å; V119-L180 CarbonylContact C-O 3.44Å; V119-L180 WeakPolarHBondContact CA-O 3.41Å; V119-L180 HydrophobicContact CG1-CB 4.44Å; V119-L180 HydrophobicContact CG2-CB 4.19Å; V119-L180 HydrophobicContact CG2-CD1 4.02Å; F120-L180 PolarHBondContact N-O 3.44Å; L180-V234 HydrophobicContact CB-CG2 4.28Å; L180-V234 HydrophobicContact CD1-CB 4.31Å; L180-V234 HydrophobicContact CD1-CG2 4.28Å; L180-V234 WeakPolarHBondContact CD1-O 3.38Å; L180-A240 HydrophobicContact CD1-CB 4.39Å; L180-A240 HydrophobicContact CD2-CB 3.57Å; L180-A240 VanDerWaalsContact CD2-O 3.31Å; L180-A240 WeakPolarHBondContact CD2-O 3.14Å; L180-Y244 HydrophobicContact CD2-CE2 4.25Å
181V98.9Very high98.1Very high1 Ų130.6 Ų30.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-122.3119.3-179.8-175.90000110.4F120 S122 E165 M169 L179 V183 G242 R243 Y244F120-V181 HydrophobicContact CB-CG2 4.46Å; F120-V181 HydrophobicContact CD1-CG1 4.01Å; F120-V181 HydrophobicContact CD1-CG2 4.33Å; F120-V181 WeakPolarHBondContact O-CA 3.23Å; S122-V181 VanDerWaalsContact CB-CG1 3.49Å; E165-V181 HydrophobicContact CG-CG1 4.14Å; E165-V181 HydrophobicContact CG-CG2 4.47Å; M169-V181 HydrophobicContact CE-CG2 4.15Å; L179-V181 HydrophobicContact CD2-CG2 4.06Å; L179-V181 HydrophobicContact CG-CG2 4.09Å; V181-V183 HydrophobicContact CG1-CG2 3.95Å; V181-G242 PolarHBondContact N-O 3.01Å; V181-R243 HydrophobicContact CB-CB 4.48Å; V181-R243 HydrophobicContact CB-CG 4.21Å; V181-R243 CarbonylContact O-C 3.51Å; V181-R243 WeakPolarHBondContact O-CA 3.42Å; V181-Y244 PolarHBondContact O-N 2.76Å
182V98.9Very high98.1Very high0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-96.6129169.3-179.40000108.4V119 F120 S122 P184 A230 V234 C246V119-V182 HydrophobicContact CG1-CG2 3.87Å; F120-V182 PolarHBondContact O-N 2.64Å; S122-V182 PolarHBondContact N-O 3.15Å; V182-P184 VanDerWaalsContact C-CD 3.49Å; V182-P184 WeakPolarHBondContact O-CD 3.36Å; V182-A230 HydrophobicContact CG1-CB 4.22Å; V182-V234 HydrophobicContact CG2-CG1 4.38Å; V182-V234 HydrophobicContact CG2-CG2 3.71Å; V182-C246 HydrophobicContact CG1-CB 3.92Å
183V98.8Very high98.1Very high1 Ų131 Ų311%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-114.381.8-174.7-170.60000109.3S123 V127 V181 R243 Y244 L245 C246S123-V183 VanDerWaalsContact O-CG1 3.28Å; S123-V183 WeakPolarHBondContact O-CG1 3.19Å; V127-V183 HydrophobicContact CG2-CG1 3.7Å; V181-V183 HydrophobicContact CG1-CG2 3.95Å; V183-R243 HydrophobicContact CG2-CB 4.3Å; V183-Y244 PolarHBondContact N-O 3.23Å; V183-L245 HydrophobicContact CB-CD2 3.77Å; V183-L245 HydrophobicContact CG1-CD2 3.88Å; V183-L245 HydrophobicContact CG2-CD2 4.2Å; V183-C246 PolarHBondContact O-N 2.95Å
184P98.7Very high97.9Very high6 Ų629 Ų294%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-73.2145.3-177.329.9-35.4000112.8T121 Y124 V182 V222 V227T121-P184 HydrophobicContact CG2-CG 3.86Å; Y124-P184 VanDerWaalsContact CB-O 3.26Å; Y124-P184 WeakPolarHBondContact CB-O 3.49Å; Y124-P184 PolarHBondContact N-O 2.71Å; V182-P184 VanDerWaalsContact C-CD 3.49Å; V182-P184 WeakPolarHBondContact O-CD 3.36Å; P184-V222 HydrophobicContact CB-CG1 4.4Å; P184-V227 HydrophobicContact CB-CG1 4Å; P184-V227 HydrophobicContact CB-CG2 3.79Å; P184-V227 HydrophobicContact CG-CG1 4.42Å
185A98.3Very high97.7Very high8 Ų826.3 Ų26.37%0.06616%0.158CC..  trans-70.7-168.2168.400000112.6T187 A220 V222 C246 I247A185-T187 PolarHBondContact O-N 3.23Å; A185-T187 PolarHBondContact O-OG1 3.17Å; A185-A220 VanDerWaalsContact CB-C 3.49Å; A185-A220 HydrophobicContact CB-CB 3.92Å; A185-V222 HydrophobicContact CB-CB 4.17Å; A185-V222 HydrophobicContact CB-CG1 3.91Å; A185-C246 PolarHBondContact N-O 3.27Å; A185-I247 HydrophobicContact CB-CB 4.49Å; A185-I247 HydrophobicContact CB-CG1 3.95Å
186V97.9Very high97.6Very high31 Ų3123.9 Ų23.919%0.18815%0.152CC..EExtended strand (participates in β ladder)trans-63.1102.7169.4-1780000108.5V188 A220 Y221 V222V186-V188 PolarHBondContact O-N 3.16Å; V186-A220 WeakPolarHBondContact CB-O 3.41Å; V186-A220 WeakPolarHBondContact CG2-O 3.44Å; V186-A220 PolarHBondContact N-O 3.27Å; V186-Y221 HydrophobicContact CB-CD1 4.07Å; V186-Y221 HydrophobicContact CB-CE1 4.47Å; V186-Y221 HydrophobicContact CG1-CD1 4.36Å; V186-Y221 WeakPolarHBondContact O-CA 3.42Å; V186-V222 PolarHBondContact O-N 2.89Å
187T98.6Very high97.6Very high10 Ų1022.4 Ų22.46%0.06113%0.127CC..EExtended strand (participates in β ladder)trans-75.3126.2-175.8-45.60000110.8F18 I19 A185 S199 V222 V224 V227F18-T187 HydrophobicContact CD1-CG2 4.38Å; F18-T187 HydrophobicContact CE1-CG2 3.74Å; I19-T187 HydrophobicContact CG1-CG2 4.29Å; A185-T187 PolarHBondContact O-N 3.23Å; A185-T187 PolarHBondContact O-OG1 3.17Å; T187-S199 WeakPolarHBondContact O-CB 3.26Å; T187-S199 PolarHBondContact O-OG 2.96Å; T187-V222 WeakPolarHBondContact CA-O 3.45Å; T187-V222 HydrophobicContact CG2-CG1 4.42Å; T187-V224 HydrophobicContact CG2-CB 3.61Å; T187-V224 HydrophobicContact CG2-CG2 3.96Å; T187-V227 HydrophobicContact CG2-CG2 3.92Å
188V98.6Very high97.6Very high1 Ų124.2 Ų24.21%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-124.5169.6172.7-60.90000109.1V186 V203 V222 D223 V224 L301 L305V186-V188 PolarHBondContact O-N 3.16Å; V188-V203 HydrophobicContact CG1-CG2 4.18Å; V188-V222 PolarHBondContact N-O 2.89Å; V188-D223 CarbonylContact O-C 3.18Å; V188-D223 WeakPolarHBondContact O-CA 3.38Å; V188-V224 PolarHBondContact O-N 3.37Å; V188-L301 HydrophobicContact CG2-CD1 3.82Å; V188-L305 HydrophobicContact CG2-CD2 4.29Å
189G98.5Very high97.5Very high0 Ų022.4 Ų22.40%014%0.135CC..SBendtrans138.1-177179.300000112.1T308G189-T308 VanDerWaalsContact CA-OG1 3.25Å; G189-T308 WeakPolarHBondContact CA-OG1 3.25Å; G189-T308 PolarHBondContact N-OG1 3.4Å; G189-T308 PolarHBondContact O-OG1 2.95Å
190E98.2Very high97.4Very high61 Ų6121.4 Ų21.429%0.28513%0.13SC..  trans-62.2133.2176.9176.1-177.9171.700111.2F18 W22 R307F18-E190 WeakPolarHBondContact CE2-O 3.42Å; W22-E190 HydrophobicContact CZ2-CB 4.03Å; W22-E190 HydrophobicContact CZ2-CG 4.15Å; W22-E190 PolarHBondContact NE1-O 3.09Å; E190-R307 HydrophobicContact CB-CB 4.4Å
191M98.1Very high97.3Very high0 Ų025.6 Ų25.60%015%0.15CC..  trans-87.7133175.1-62.9-176.4-64.500109.5F18 L196 V200 S311 L312 K315F18-M191 HydrophobicContact CD2-CG 4.12Å; F18-M191 HydrophobicContact CE2-CB 4.48Å; F18-M191 HydrophobicContact CE2-CG 3.9Å; M191-L196 HydrophobicContact CE-CD1 4.09Å; M191-L196 HydrophobicContact SD-CD1 3.92Å; M191-V200 HydrophobicContact CE-CG1 4.11Å; M191-V200 HydrophobicContact CG-CB 4.48Å; M191-V200 HydrophobicContact CG-CG1 4.21Å; M191-V200 HydrophobicContact CG-CG2 4.1Å; M191-V200 HydrophobicContact SD-CB 3.97Å; M191-V200 HydrophobicContact SD-CG1 3.67Å; M191-V200 HydrophobicContact SD-CG2 4.22Å; M191-S311 PolarHBondContact N-OG 3.15Å; M191-S311 PolarHBondContact O-OG 3.07Å; M191-L312 HydrophobicContact CE-CD2 3.8Å; M191-L312 HydrophobicContact CE-CG 4.32Å; M191-K315 HydrophobicContact CB-CD 4.32Å; M191-K315 HydrophobicContact CE-CD 4.2Å; M191-K315 WeakPolarHBondContact O-CE 3.41Å; M191-K315 PolarHBondContact O-NZ 3.31Å
192L98.2Very high97.1Very high27 Ų2730.9 Ų30.914%0.14117%0.169CC..  trans-90-40.8168.1-61.2-179.7000110.7W22 K25 H48 L52W22-L192 HydrophobicContact CD2-CD1 3.76Å; W22-L192 HydrophobicContact CD2-CG 4.15Å; W22-L192 HydrophobicContact CE3-CD1 4.22Å; W22-L192 HydrophobicContact CG-CD1 3.93Å; W22-L192 HydrophobicContact CG-CG 4.36Å; W22-L192 HydrophobicContact CH2-CD2 4.36Å; W22-L192 HydrophobicContact CZ2-CD1 4.38Å; W22-L192 HydrophobicContact CZ2-CD2 3.83Å; W22-L192 HydrophobicContact CZ2-CG 4.06Å; K25-L192 HydrophobicContact CB-CD1 4.42Å; K25-L192 HydrophobicContact CD-CD1 4.1Å; H48-L192 WeakPolarHBondContact CB-O 3.47Å; L52-L192 HydrophobicContact CD2-CD1 4.19Å
193Q97.1Very high97Very high4 Ų430.9 Ų30.92%0.01917%0.17CC..SBendtrans-68.6152.4176.882.5-69.5-8.500111.5G16 T195 K315G16-Q193 WeakPolarHBondContact O-CB 3.31Å; Q193-T195 WeakPolarHBondContact CG-O 3.41Å; Q193-T195 PolarHBondContact NE2-O 2.98Å; Q193-T195 VanDerWaalsContact NE2-O 3.09Å; Q193-T195 PolarHBondContact O-N 3.27Å; Q193-K315 WeakPolarHBondContact O-CE 3.25Å
194P94.3Very high96.9Very high59 Ų5930.9 Ų30.938%0.38317%0.169SC..SBendtrans-73.3-28.5-176.726.9-33.4000113.1K45 H317K45-P194 WeakPolarHBondContact O-CD 3.46Å; P194-H317 PolarHBondContact O-NE2 3.31Å; P194-H317 VanDerWaalsContact O-NE2 3.12Å
195T93.6Very high96.7Very high85 Ų8531.2 Ų31.252%0.52117%0.171SC..SBendtrans-91.8145.4-172.557.80000113.1Q193 N197Q193-T195 WeakPolarHBondContact CG-O 3.41Å; Q193-T195 PolarHBondContact NE2-O 2.98Å; Q193-T195 VanDerWaalsContact NE2-O 3.09Å; Q193-T195 PolarHBondContact O-N 3.27Å; T195-N197 PolarHBondContact O-N 3Å
196L94.6Very high96.6Very high44 Ų4431.3 Ų31.323%0.2317%0.17CC..PPolyproline II helixtrans-75.7117.2-179.8-171.262.5000110.6M191 V200 H201 A204 L312M191-L196 HydrophobicContact CE-CD1 4.09Å; M191-L196 HydrophobicContact SD-CD1 3.92Å; L196-V200 HydrophobicContact CD1-CB 3.89Å; L196-V200 HydrophobicContact CD1-CG1 3.62Å; L196-H201 HydrophobicContact CD2-CB 3.88Å; L196-H201 VanDerWaalsContact CD2-ND1 3.31Å; L196-H201 WeakPolarHBondContact CD2-ND1 3.44Å; L196-H201 HydrophobicContact CG-CB 3.84Å; L196-A204 HydrophobicContact CD2-CB 4.32Å; L196-L312 HydrophobicContact CD1-CD2 3.6Å
197N96.6Very high96.5Very high38 Ų3829.8 Ų29.820%0.20316%0.161CC..PPolyproline II helixtrans-86.2165.317471.5-67.6000111.6F18 T195 S199 V200 H201F18-N197 HydrophobicContact CB-CB 4.09Å; F18-N197 WeakPolarHBondContact CD1-ND2 3.48Å; T195-N197 PolarHBondContact O-N 3Å; N197-S199 PolarHBondContact ND2-OG 3.32Å; N197-S199 PolarHBondContact O-N 3.44Å; N197-V200 PolarHBondContact O-N 2.98Å; N197-V200 WeakPolarHBondContact OD1-CB 3.35Å; N197-V200 WeakPolarHBondContact OD1-CG2 3.36Å; N197-H201 WeakPolarHBondContact O-CB 3.39Å; N197-H201 PolarHBondContact O-N 2.84Å
198A95.6Very high96.3Very high53 Ų5334.3 Ų34.344%0.43818%0.177SC..Hα-helixtrans-56.6-40.7-170.200000115.4V89 R202V89-A198 HydrophobicContact CG1-CB 3.92Å; A198-R202 PolarHBondContact O-N 2.89Å
199S96.1Very high96.1Very high20 Ų2035.6 Ų35.614%0.1419%0.191CC..Hα-helixtrans-72.5-42.2-17860.10000112.2T187 N197 H201 R202 V203T187-S199 WeakPolarHBondContact O-CB 3.26Å; T187-S199 PolarHBondContact O-OG 2.96Å; N197-S199 PolarHBondContact ND2-OG 3.32Å; N197-S199 PolarHBondContact O-N 3.44Å; S199-H201 VanDerWaalsContact C-N 3.35Å; S199-R202 WeakPolarHBondContact O-CB 3.37Å; S199-R202 PolarHBondContact O-N 3.09Å; S199-V203 PolarHBondContact O-N 3.45Å
200V97.4Very high95.8Very high0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-72-32.1176.4-176.30000110.8F18 M191 L196 N197 R202 V203 A204 T308 L312F18-V200 HydrophobicContact CE1-CG2 4.02Å; F18-V200 HydrophobicContact CE2-CG2 4.14Å; F18-V200 HydrophobicContact CZ-CG2 3.75Å; M191-V200 HydrophobicContact CE-CG1 4.11Å; M191-V200 HydrophobicContact CG-CB 4.48Å; M191-V200 HydrophobicContact CG-CG1 4.21Å; M191-V200 HydrophobicContact CG-CG2 4.1Å; M191-V200 HydrophobicContact SD-CB 3.97Å; M191-V200 HydrophobicContact SD-CG1 3.67Å; M191-V200 HydrophobicContact SD-CG2 4.22Å; L196-V200 HydrophobicContact CD1-CB 3.89Å; L196-V200 HydrophobicContact CD1-CG1 3.62Å; N197-V200 PolarHBondContact O-N 2.98Å; N197-V200 WeakPolarHBondContact OD1-CB 3.35Å; N197-V200 WeakPolarHBondContact OD1-CG2 3.36Å; V200-R202 PolarHBondContact O-N 3.05Å; V200-V203 WeakPolarHBondContact O-CA 3.24Å; V200-V203 WeakPolarHBondContact O-CB 3.31Å; V200-V203 PolarHBondContact O-N 3.32Å; V200-A204 PolarHBondContact O-N 2.82Å; V200-T308 HydrophobicContact CG1-CG2 3.71Å; V200-T308 HydrophobicContact CG2-CG2 4.38Å; V200-L312 HydrophobicContact CG1-CD1 4.06Å; V200-L312 HydrophobicContact CG1-CD2 3.91Å; V200-L312 HydrophobicContact CG1-CG 4.01Å
201H96.4Very high95.4Very high88 Ų8841.6 Ų41.641%0.40722%0.224SC..Hα-helixtrans-55.3-42170.3-176.278.6000111.8L196 N197 S199 V203 A204 T205L196-H201 HydrophobicContact CD2-CB 3.88Å; L196-H201 VanDerWaalsContact CD2-ND1 3.31Å; L196-H201 WeakPolarHBondContact CD2-ND1 3.44Å; L196-H201 HydrophobicContact CG-CB 3.84Å; N197-H201 WeakPolarHBondContact O-CB 3.39Å; N197-H201 PolarHBondContact O-N 2.84Å; S199-H201 VanDerWaalsContact C-N 3.35Å; H201-V203 VanDerWaalsContact C-N 3.31Å; H201-V203 PolarHBondContact O-N 3.49Å; H201-A204 WeakPolarHBondContact O-CB 3.48Å; H201-A204 PolarHBondContact O-N 3.28Å; H201-T205 WeakPolarHBondContact O-CG2 3.49Å; H201-T205 PolarHBondContact O-N 3.49Å
202R94.5Very high95Very high112 Ų11246 Ų4642%0.42326%0.255SS..Hα-helixtrans-60.1-40.6176-171.1179.8-66.2158.6-0.7112A198 S199 V200 T205 Y206A198-R202 PolarHBondContact O-N 2.89Å; S199-R202 WeakPolarHBondContact O-CB 3.37Å; S199-R202 PolarHBondContact O-N 3.09Å; V200-R202 PolarHBondContact O-N 3.05Å; R202-T205 PolarHBondContact O-N 3.24Å; R202-T205 PolarHBondContact O-OG1 2.97Å; R202-Y206 HydrophobicContact CG-CE2 4.17Å; R202-Y206 VanDerWaalsContact O-CD2 3.3Å; R202-Y206 WeakPolarHBondContact O-CD2 3.4Å; R202-Y206 PolarHBondContact O-N 3.11Å
203V96.9Very high94.8Very high1 Ų145.1 Ų45.11%0.00625%0.251CS..Hα-helixtrans-61-52.3173.1-178.50000109.7V188 S199 V200 H201 T205 Y206 M207 F256 L260 T308 V309 L312V188-V203 HydrophobicContact CG1-CG2 4.18Å; S199-V203 PolarHBondContact O-N 3.45Å; V200-V203 WeakPolarHBondContact O-CA 3.24Å; V200-V203 WeakPolarHBondContact O-CB 3.31Å; V200-V203 PolarHBondContact O-N 3.32Å; H201-V203 VanDerWaalsContact C-N 3.31Å; H201-V203 PolarHBondContact O-N 3.49Å; V203-T205 VanDerWaalsContact C-N 3.26Å; V203-T205 PolarHBondContact O-N 3.12Å; V203-Y206 PolarHBondContact O-N 3.35Å; V203-M207 HydrophobicContact CG1-CG 4.2Å; V203-M207 WeakPolarHBondContact O-CG 3.42Å; V203-M207 PolarHBondContact O-N 2.98Å; V203-M207 VanDerWaalsContact O-N 3.1Å; V203-F256 HydrophobicContact CG2-CZ 4.09Å; V203-L260 HydrophobicContact CG1-CD1 4.5Å; V203-L260 HydrophobicContact CG1-CD2 4.18Å; V203-T308 HydrophobicContact CB-CG2 4.17Å; V203-T308 HydrophobicContact CG1-CG2 4.02Å; V203-T308 HydrophobicContact CG2-CG2 4.16Å; V203-V309 HydrophobicContact CG1-CG2 4.2Å; V203-L312 HydrophobicContact CG1-CD1 4.32Å
204A96.6Very high94.7Very high0 Ų045.9 Ų45.90%025%0.254CS..Hα-helixtrans-54.7-38.5179.300000113L196 V200 H201 Y206 M207 R208 L312L196-A204 HydrophobicContact CD2-CB 4.32Å; V200-A204 PolarHBondContact O-N 2.82Å; H201-A204 WeakPolarHBondContact O-CB 3.48Å; H201-A204 PolarHBondContact O-N 3.28Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; A204-Y206 PolarHBondContact O-N 3.42Å; A204-M207 PolarHBondContact O-N 3.19Å; A204-R208 WeakPolarHBondContact O-CB 3.3Å; A204-R208 VanDerWaalsContact O-CG 3.31Å; A204-R208 WeakPolarHBondContact O-CG 3.46Å; A204-R208 PolarHBondContact O-N 3.07Å; A204-L312 HydrophobicContact CB-CD1 4.02Å; A204-L312 HydrophobicContact CB-CD2 4.1Å
205T95.2Very high94.7Very high13 Ų1345.5 Ų45.58%0.0825%0.251CS..Hα-helixtrans-63.8-34.4176.959.90000113.8H201 R202 V203 G209 T210H201-T205 WeakPolarHBondContact O-CG2 3.49Å; H201-T205 PolarHBondContact O-N 3.49Å; R202-T205 PolarHBondContact O-N 3.24Å; R202-T205 PolarHBondContact O-OG1 2.97Å; V203-T205 VanDerWaalsContact C-N 3.26Å; V203-T205 PolarHBondContact O-N 3.12Å; T205-G209 PolarHBondContact O-N 2.87Å; T205-T210 WeakPolarHBondContact CA-OG1 3.13Å; T205-T210 WeakPolarHBondContact CB-OG1 3.24Å; T205-T210 PolarHBondContact O-N 3.46Å; T205-T210 VanDerWaalsContact O-N 3.16Å; T205-T210 PolarHBondContact O-OG1 3.3Å; T205-T210 VanDerWaalsContact O-OG1 3.1Å
206Y95.7Very high94.7Very high10 Ų1042.8 Ų42.84%0.03923%0.234CC..Hα-helixtrans-71-43.4172.6-72.8-61.9000111.3R202 V203 A204 R208 G209 K211 F256 V257 T270R202-Y206 HydrophobicContact CG-CE2 4.17Å; R202-Y206 VanDerWaalsContact O-CD2 3.3Å; R202-Y206 WeakPolarHBondContact O-CD2 3.4Å; R202-Y206 PolarHBondContact O-N 3.11Å; V203-Y206 PolarHBondContact O-N 3.35Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; A204-Y206 PolarHBondContact O-N 3.42Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 2.95Å; Y206-G209 PolarHBondContact O-N 2.88Å; Y206-G209 VanDerWaalsContact O-N 3.13Å; Y206-K211 HydrophobicContact CD1-CB 3.91Å; Y206-K211 HydrophobicContact CD1-CG 4.25Å; Y206-K211 HydrophobicContact CE1-CB 3.91Å; Y206-K211 HydrophobicContact CE1-CG 4.15Å; Y206-F256 HydrophobicContact CD2-CE1 4.04Å; Y206-F256 HydrophobicContact CE2-CD1 4.39Å; Y206-F256 HydrophobicContact CE2-CE1 4.16Å; Y206-V257 HydrophobicContact CD1-CG1 3.94Å; Y206-V257 HydrophobicContact CE1-CG1 3.89Å; Y206-V257 HydrophobicContact CG-CG1 4.3Å; Y206-T270 HydrophobicContact CD1-CG2 4.37Å; Y206-T270 HydrophobicContact CE1-CG2 4.44Å
207M96Very high94.7Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-63.1-37.3179.5-54.5-51.2-66.400112.5V203 A204 G209 L260 F264 Y267 P268 I269 V309 L318V203-M207 HydrophobicContact CG1-CG 4.2Å; V203-M207 WeakPolarHBondContact O-CG 3.42Å; V203-M207 PolarHBondContact O-N 2.98Å; V203-M207 VanDerWaalsContact O-N 3.1Å; A204-M207 PolarHBondContact O-N 3.19Å; M207-G209 PolarHBondContact O-N 3.02Å; M207-L260 HydrophobicContact SD-CB 4.18Å; M207-L260 HydrophobicContact SD-CD1 4.13Å; M207-L260 HydrophobicContact SD-CD2 3.89Å; M207-L260 HydrophobicContact SD-CG 4.3Å; M207-F264 HydrophobicContact CE-CB 3.79Å; M207-F264 HydrophobicContact CE-CD2 3.9Å; M207-F264 HydrophobicContact CE-CG 4Å; M207-Y267 HydrophobicContact CB-CD1 4.46Å; M207-Y267 HydrophobicContact CB-CG 4.44Å; M207-Y267 HydrophobicContact CE-CD2 3.23Å; M207-Y267 HydrophobicContact CE-CE2 3.74Å; M207-Y267 HydrophobicContact CE-CG 3.75Å; M207-Y267 WeakPolarHBondContact O-CB 3.44Å; M207-Y267 VanDerWaalsContact O-CD1 3.32Å; M207-Y267 WeakPolarHBondContact O-CD1 3.4Å; M207-P268 WeakPolarHBondContact O-CD 3.49Å; M207-I269 HydrophobicContact CE-CD1 4Å; M207-I269 HydrophobicContact SD-CD1 3.85Å; M207-I269 HydrophobicContact SD-CG1 4.19Å; M207-V309 HydrophobicContact CE-CB 4.45Å; M207-V309 HydrophobicContact CE-CG1 3.77Å; M207-V309 HydrophobicContact CE-CG2 3.77Å; M207-V309 HydrophobicContact CG-CG2 4.12Å; M207-V309 HydrophobicContact SD-CG2 3.84Å; M207-L318 HydrophobicContact CB-CD1 3.59Å; M207-L318 HydrophobicContact CB-CD2 3.76Å; M207-L318 HydrophobicContact CB-CG 4.36Å; M207-L318 HydrophobicContact CG-CD1 3.77Å
208R95Very high94.6Very high105 Ų10541.9 Ų41.940%0.39624%0.235SC..THydrogen-bonded Turntrans-77.5-7.2177.5-66.3175.9-170.5159.7-0.4113.6A204 Y206 T210 H317 L318A204-R208 WeakPolarHBondContact O-CB 3.3Å; A204-R208 VanDerWaalsContact O-CG 3.31Å; A204-R208 WeakPolarHBondContact O-CG 3.46Å; A204-R208 PolarHBondContact O-N 3.07Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 2.95Å; R208-T210 HydrophobicContact CB-CG2 3.96Å; R208-T210 PolarHBondContact O-N 2.69Å; R208-H317 PolarHBondContact NE-O 3.1Å; R208-H317 VanDerWaalsContact NE-O 3.16Å; R208-H317 PolarHBondContact NH2-O 3.37Å; R208-L318 HydrophobicContact CG-CD2 3.51Å
209G93.7Very high94.6Very high28 Ų2839.9 Ų39.929%0.28922%0.218SC..THydrogen-bonded Turntrans69.713.3-174.900000114.7T205 Y206 M207 K211 P268T205-G209 PolarHBondContact O-N 2.87Å; Y206-G209 PolarHBondContact O-N 2.88Å; Y206-G209 VanDerWaalsContact O-N 3.13Å; M207-G209 PolarHBondContact O-N 3.02Å; G209-K211 PolarHBondContact O-N 3.14Å; G209-P268 WeakPolarHBondContact CA-O 3.42Å
210T92.2Very high94.7Very high95 Ų9538.9 Ų38.958%0.58321%0.212SC*.  trans-70.9-14.717961.40000112.6T205 R208T205-T210 WeakPolarHBondContact CA-OG1 3.13Å; T205-T210 WeakPolarHBondContact CB-OG1 3.24Å; T205-T210 PolarHBondContact O-N 3.46Å; T205-T210 VanDerWaalsContact O-N 3.16Å; T205-T210 PolarHBondContact O-OG1 3.3Å; T205-T210 VanDerWaalsContact O-OG1 3.1Å; R208-T210 HydrophobicContact CB-CG2 3.96Å; R208-T210 PolarHBondContact O-N 2.69Å
211K89.1Confident94.8Very high91 Ų9139 Ų3940%0.39621%0.212SC..  trans-97.8108.3169.7-65.4-65.2-177-171.80110Y206 G209 A213 T270Y206-K211 HydrophobicContact CD1-CB 3.91Å; Y206-K211 HydrophobicContact CD1-CG 4.25Å; Y206-K211 HydrophobicContact CE1-CB 3.91Å; Y206-K211 HydrophobicContact CE1-CG 4.15Å; G209-K211 PolarHBondContact O-N 3.14Å; K211-A213 VanDerWaalsContact C-N 3.27Å; K211-A213 PolarHBondContact O-N 2.91Å; K211-T270 WeakPolarHBondContact O-CB 3.24Å; K211-T270 VanDerWaalsContact O-CG2 3.26Å; K211-T270 WeakPolarHBondContact O-CG2 3.33Å
212S90.3Very high94.9Very high93 Ų9334.9 Ų34.965%0.6519%0.193SC*.SBendtrans-68.5-23.7175.357.50000113.8T270S212-T270 WeakPolarHBondContact O-CB 3.44Å; S212-T270 PolarHBondContact O-OG1 3.27Å
213A94.2Very high95.1Very high8 Ų829.6 Ų29.67%0.06617%0.173CC..SBendtrans-153.2150.6176.900000112.2K211 R272 K274K211-A213 VanDerWaalsContact C-N 3.27Å; K211-A213 PolarHBondContact O-N 2.91Å; A213-R272 CarbonylContact C-O 3.5Å; A213-R272 WeakPolarHBondContact CA-O 3.4Å; A213-R272 HydrophobicContact CB-CB 4.16Å; A213-R272 VanDerWaalsContact CB-O 3.31Å; A213-R272 WeakPolarHBondContact CB-O 3.4Å; A213-K274 HydrophobicContact CB-CB 4.4Å; A213-K274 HydrophobicContact CB-CG 3.5Å; A213-K274 VanDerWaalsContact CB-CG 3.5Å; A213-K274 WeakPolarHBondContact O-CE 3.36Å
214Y94.6Very high95.2Very high21 Ų2129.6 Ų29.68%0.08217%0.173CC..BIsolated β-bridgetrans-93.6150.7173.662-99.6000111.5R253 S254 V257 T270 S271 R272 C273 K274Y214-R253 HydrophobicContact CD2-CB 3.9Å; Y214-R253 HydrophobicContact CG-CB 4.38Å; Y214-S254 WeakPolarHBondContact OH-CB 3.47Å; Y214-V257 HydrophobicContact CD1-CB 4.49Å; Y214-V257 HydrophobicContact CD1-CG1 4.21Å; Y214-V257 HydrophobicContact CD1-CG2 3.57Å; Y214-V257 HydrophobicContact CE1-CG2 3.68Å; Y214-V257 HydrophobicContact CG-CG1 4.45Å; Y214-V257 HydrophobicContact CG-CG2 4.31Å; Y214-T270 HydrophobicContact CD1-CG2 4.33Å; Y214-S271 WeakPolarHBondContact CE1-O 3.19Å; Y214-R272 WeakPolarHBondContact CD1-O 3.42Å; Y214-R272 VanDerWaalsContact CE1-C 3.47Å; Y214-R272 WeakPolarHBondContact CE1-O 3.33Å; Y214-R272 PolarHBondContact N-O 2.81Å; Y214-C273 HydrophobicContact CD2-CB 4.08Å; Y214-C273 HydrophobicContact CE1-CB 4.45Å; Y214-C273 HydrophobicContact CE2-CB 3.4Å; Y214-C273 VanDerWaalsContact CE2-CB 3.4Å; Y214-C273 CarbonylContact O-C 3.54Å; Y214-C273 WeakPolarHBondContact O-CA 3.48Å; Y214-K274 WeakPolarHBondContact O-CG 3.2Å; Y214-K274 PolarHBondContact O-N 3.41Å
215P94.2Very high95.3Very high51 Ų5131.6 Ų31.633%0.33118%0.181SC..  trans-74.7150.117830.8-33.3000112.1A217 R253P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 HydrophobicContact CB-CB 4.28Å; P215-A217 HydrophobicContact CG-CB 4.3Å; P215-A217 PolarHBondContact O-N 3.24Å; P215-R253 HydrophobicContact CG-CG 4.19Å; P215-R253 WeakPolarHBondContact O-CB 3.46Å
216N94.7Very high95.5Very high27 Ų2731 Ų3114%0.14418%0.177CC..SBendtrans-72.383.4166.4-176.74.6000108.9H252 D275 P279 M280 V281N216-H252 PolarHBondContact OD1-NE2 3.2Å; N216-D275 HydrophobicContact CB-CB 4.26Å; N216-P279 PolarHBondContact ND2-O 2.82Å; N216-M280 WeakPolarHBondContact OD1-CA 3.48Å; N216-V281 WeakPolarHBondContact OD1-CG2 3.34Å; N216-V281 PolarHBondContact OD1-N 3.09Å
217A94Very high95.6Very high35 Ų3530.6 Ų30.629%0.28918%0.175SC..  trans-153.9152.8-173.200000111.5P215 H252 R253P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 HydrophobicContact CB-CB 4.28Å; P215-A217 HydrophobicContact CG-CB 4.3Å; P215-A217 PolarHBondContact O-N 3.24Å; A217-H252 PolarHBondContact N-NE2 3.5Å; A217-H252 VanDerWaalsContact N-NE2 3.18Å; A217-H252 PolarHBondContact O-CD2 3.06Å; A217-H252 VanDerWaalsContact O-CD2 3.3Å; A217-R253 WeakPolarHBondContact O-CG 3.43Å; A217-R253 PolarHBondContact O-N 3.39Å
218V94.8Very high95.8Very high28 Ų2830.6 Ų30.617%0.1718%0.176CC..EExtended strand (participates in β ladder)trans-106.4147.6175.4169.40000109.9V250 L251 H252 V281 Y284V218-V250 HydrophobicContact CG1-CG1 3.3Å; V218-L251 WeakPolarHBondContact CA-O 3.28Å; V218-H252 HydrophobicContact CG2-CB 4.21Å; V218-V281 HydrophobicContact CB-CG1 4.28Å; V218-V281 HydrophobicContact CG2-CB 4.09Å; V218-V281 HydrophobicContact CG2-CG1 3.71Å; V218-V281 VanDerWaalsContact CG2-O 3.24Å; V218-V281 WeakPolarHBondContact CG2-O 3.47Å; V218-Y284 HydrophobicContact CG1-CD1 3.96Å; V218-Y284 HydrophobicContact CG1-CE1 3.82Å
219A96.2Very high95.9Very high11 Ų1128.7 Ų28.79%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-144.1150172.800000113.9Y221 L251A219-Y221 HydrophobicContact CB-CE2 4.12Å; A219-Y221 WeakPolarHBondContact O-CD2 3.42Å; A219-Y221 WeakPolarHBondContact O-CE2 3.39Å; A219-L251 PolarHBondContact N-O 2.91Å; A219-L251 PolarHBondContact O-N 3.07Å; A219-L251 VanDerWaalsContact O-N 3.15Å
220A98.2Very high96.2Very high0 Ų027.3 Ų27.30%016%0.155CC..EExtended strand (participates in β ladder)trans-49.5129.1153.600000115.9A185 V186 I247 S249 V250 Y284A185-A220 VanDerWaalsContact CB-C 3.49Å; A185-A220 HydrophobicContact CB-CB 3.92Å; V186-A220 WeakPolarHBondContact CB-O 3.41Å; V186-A220 WeakPolarHBondContact CG2-O 3.44Å; V186-A220 PolarHBondContact N-O 3.27Å; A220-I247 HydrophobicContact CB-CB 4.42Å; A220-I247 HydrophobicContact CB-CD1 4.38Å; A220-I247 HydrophobicContact CB-CG1 4.17Å; A220-I247 HydrophobicContact CB-CG2 3.49Å; A220-I247 VanDerWaalsContact CB-CG2 3.49Å; A220-S249 WeakPolarHBondContact CB-O 3.47Å; A220-V250 HydrophobicContact CB-CB 4.39Å; A220-V250 HydrophobicContact CB-CG2 3.61Å; A220-Y284 WeakPolarHBondContact CB-OH 3.41Å
221Y98.6Very high96.5Very high1 Ų122.8 Ų22.80%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-134.2152.3161.8-49.6-90.9000113.3V186 A219 G248 S249 L251 R253 F256 L301V186-Y221 HydrophobicContact CB-CD1 4.07Å; V186-Y221 HydrophobicContact CB-CE1 4.47Å; V186-Y221 HydrophobicContact CG1-CD1 4.36Å; V186-Y221 WeakPolarHBondContact O-CA 3.42Å; A219-Y221 HydrophobicContact CB-CE2 4.12Å; A219-Y221 WeakPolarHBondContact O-CD2 3.42Å; A219-Y221 WeakPolarHBondContact O-CE2 3.39Å; Y221-G248 WeakPolarHBondContact O-CA 3.32Å; Y221-G248 PolarHBondContact O-N 3.13Å; Y221-S249 PolarHBondContact N-O 3.43Å; Y221-S249 PolarHBondContact O-N 3.34Å; Y221-S249 VanDerWaalsContact O-N 3.07Å; Y221-L251 HydrophobicContact CE2-CB 4.12Å; Y221-R253 PolarHBondContact OH-NE 3.44Å; Y221-R253 PolarHBondContact OH-NH1 3.41Å; Y221-R253 PolarHBondContact OH-NH2 3.04Å; Y221-F256 HydrophobicContact CD1-CD2 4.05Å; Y221-F256 AromaticContact CD1-CE2 3.69Å; Y221-F256 HydrophobicContact CD1-CE2 3.69Å; Y221-F256 AromaticContact CE1-CD2 3.33Å; Y221-F256 HydrophobicContact CE1-CD2 3.33Å; Y221-F256 AromaticContact CE1-CE2 3.18Å; Y221-F256 HydrophobicContact CE1-CE2 3.18Å; Y221-F256 HydrophobicContact CE1-CG 4.23Å; Y221-F256 HydrophobicContact CE1-CZ 4.01Å; Y221-F256 AromaticContact CE2-CD2 3.97Å; Y221-F256 HydrophobicContact CE2-CD2 3.97Å; Y221-F256 AromaticContact CZ-CD2 3.26Å; Y221-F256 AromaticContact CZ-CE2 3.69Å; Y221-F256 AromaticContact CZ-CG 3.92Å; Y221-F256 VanDerWaalsContact OH-CD2 3.28Å; Y221-F256 WeakPolarHBondContact OH-CD2 3.44Å; Y221-F256 WeakPolarHBondContact OH-CG 3.35Å; Y221-L301 HydrophobicContact CD2-CD2 3.94Å; Y221-L301 HydrophobicContact CG-CD1 4.09Å; Y221-L301 HydrophobicContact CG-CD2 4.09Å
222V98.8Very high97Very high3 Ų318.5 Ų18.52%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-154.2151.2176.165.70000110.2P184 A185 V186 T187 V188 D226 V227 F298P184-V222 HydrophobicContact CB-CG1 4.4Å; A185-V222 HydrophobicContact CB-CB 4.17Å; A185-V222 HydrophobicContact CB-CG1 3.91Å; V186-V222 PolarHBondContact O-N 2.89Å; T187-V222 WeakPolarHBondContact CA-O 3.45Å; T187-V222 HydrophobicContact CG2-CG1 4.42Å; V188-V222 PolarHBondContact N-O 2.89Å; V222-D226 HydrophobicContact CG2-CB 3.96Å; V222-V227 HydrophobicContact CB-CG2 4.4Å; V222-V227 HydrophobicContact CG1-CG2 3.46Å; V222-V227 VanDerWaalsContact CG1-CG2 3.46Å; V222-V227 HydrophobicContact CG2-CG2 4.05Å; V222-F298 HydrophobicContact CG2-CD1 4.09Å; V222-F298 HydrophobicContact CG2-CE1 4.17Å
223D98.8Very high97.3Very high1 Ų115.4 Ų15.41%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-73.8141.9173-162.1-76000111.3V188 R225 D226 V227 S304V188-D223 CarbonylContact O-C 3.18Å; V188-D223 WeakPolarHBondContact O-CA 3.38Å; D223-R225 VanDerWaalsContact C-N 3.25Å; D223-R225 PolarHBondContact O-N 2.73Å; D223-R225 VanDerWaalsContact OD1-CB 3.25Å; D223-R225 WeakPolarHBondContact OD1-CB 3.46Å; D223-R225 WeakPolarHBondContact OD1-CG 3.42Å; D223-R225 IonicContact OD1-CZ 3.23Å; D223-R225 PolarHBondContact OD1-N 2.63Å; D223-R225 IonicContact OD1-NE 2.83Å; D223-R225 PolarHBondContact OD1-NE 2.74Å; D223-R225 IonicContact OD1-NH2 2.71Å; D223-R225 IonicContact OD2-CZ 3.95Å; D223-R225 IonicContact OD2-NE 3.26Å; D223-R225 IonicContact OD2-NH2 2.84Å; D223-R225 PolarHBondContact OD2-NH2 3.28Å; D223-D226 HydrophobicContact CB-CB 4.11Å; D223-D226 WeakPolarHBondContact CB-OD2 3.27Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 3.15Å; D223-D226 VanDerWaalsContact O-N 3.13Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.49Å; D223-S304 WeakPolarHBondContact CB-OG 3.48Å; D223-S304 WeakPolarHBondContact OD2-CA 3.33Å; D223-S304 WeakPolarHBondContact OD2-CB 3.39Å; D223-S304 PolarHBondContact OD2-OG 3.48Å
224V98.8Very high97.5Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-61.2-33.2177.367.40000113.1F18 I19 W22 T187 V188 D226 V227 A228F18-V224 HydrophobicContact CD1-CG2 4.08Å; F18-V224 HydrophobicContact CD2-CG2 4.13Å; F18-V224 HydrophobicContact CE1-CB 3.91Å; F18-V224 HydrophobicContact CE1-CG2 3.86Å; F18-V224 HydrophobicContact CE2-CB 4.03Å; F18-V224 HydrophobicContact CE2-CG1 4Å; F18-V224 HydrophobicContact CE2-CG2 3.9Å; F18-V224 HydrophobicContact CG-CG2 4.23Å; F18-V224 HydrophobicContact CZ-CB 3.57Å; F18-V224 HydrophobicContact CZ-CG1 3.87Å; F18-V224 HydrophobicContact CZ-CG2 3.77Å; I19-V224 HydrophobicContact CG1-CG2 4.22Å; W22-V224 HydrophobicContact CB-CG2 4.18Å; W22-V224 VanDerWaalsContact CD1-CG1 3.41Å; W22-V224 VanDerWaalsContact CD1-CG2 3.46Å; W22-V224 HydrophobicContact CD2-CG1 4.36Å; W22-V224 HydrophobicContact CG-CG1 4.02Å; W22-V224 HydrophobicContact CG-CG2 4.01Å; W22-V224 VanDerWaalsContact NE1-CG1 3.33Å; T187-V224 HydrophobicContact CG2-CB 3.61Å; T187-V224 HydrophobicContact CG2-CG2 3.96Å; V188-V224 PolarHBondContact O-N 3.37Å; V224-D226 VanDerWaalsContact C-N 3.33Å; V224-V227 PolarHBondContact O-N 3.11Å; V224-A228 PolarHBondContact O-N 3.21Å
225R98.7Very high97.7Very high43 Ų4314.7 Ų14.716%0.1628%0.08CC..Hα-helixtrans-67.6-38.3175.8-64.1166.5-68.9163.44.4110.7W22 D223 V227 A228 R229 E303 R307W22-R225 HydrophobicContact CD2-CG 3.85Å; W22-R225 HydrophobicContact CE3-CG 3.62Å; W22-R225 HydrophobicContact CH2-CG 3.75Å; W22-R225 HydrophobicContact CZ2-CG 3.97Å; W22-R225 HydrophobicContact CZ3-CG 3.56Å; D223-R225 VanDerWaalsContact C-N 3.25Å; D223-R225 PolarHBondContact O-N 2.73Å; D223-R225 VanDerWaalsContact OD1-CB 3.25Å; D223-R225 WeakPolarHBondContact OD1-CB 3.46Å; D223-R225 WeakPolarHBondContact OD1-CG 3.42Å; D223-R225 IonicContact OD1-CZ 3.23Å; D223-R225 PolarHBondContact OD1-N 2.63Å; D223-R225 IonicContact OD1-NE 2.83Å; D223-R225 PolarHBondContact OD1-NE 2.74Å; D223-R225 IonicContact OD1-NH2 2.71Å; D223-R225 IonicContact OD2-CZ 3.95Å; D223-R225 IonicContact OD2-NE 3.26Å; D223-R225 IonicContact OD2-NH2 2.84Å; D223-R225 PolarHBondContact OD2-NH2 3.28Å; R225-V227 VanDerWaalsContact C-N 3.34Å; R225-A228 PolarHBondContact O-N 2.82Å; R225-R229 WeakPolarHBondContact O-CB 3.16Å; R225-R229 WeakPolarHBondContact O-CG 3.43Å; R225-R229 PolarHBondContact O-N 3.02Å; R225-E303 IonicContact NH1-OE1 3.87Å; R225-E303 IonicContact NH2-OE1 3.76Å; R225-R307 VanDerWaalsContact CZ-CD 3.46Å; R225-R307 VanDerWaalsContact NH1-CZ 3.35Å
226D98.8Very high97.9Very high1 Ų115.5 Ų15.51%0.0058%0.079CC..Hα-helixtrans-66.8-38.3176.1-68.5-16.9000111.5V222 D223 V224 R229 A230 M296 F298 T299V222-D226 HydrophobicContact CG2-CB 3.96Å; D223-D226 HydrophobicContact CB-CB 4.11Å; D223-D226 WeakPolarHBondContact CB-OD2 3.27Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 3.15Å; D223-D226 VanDerWaalsContact O-N 3.13Å; V224-D226 VanDerWaalsContact C-N 3.33Å; D226-R229 PolarHBondContact O-N 2.62Å; D226-R229 IonicContact OD1-NH1 3.21Å; D226-R229 PolarHBondContact OD1-NH1 3.36Å; D226-A230 VanDerWaalsContact O-CB 3.31Å; D226-A230 WeakPolarHBondContact O-CB 3.3Å; D226-A230 PolarHBondContact O-N 2.93Å; D226-M296 VanDerWaalsContact CA-CE 3.48Å; D226-M296 HydrophobicContact CB-CE 3.33Å; D226-M296 WeakPolarHBondContact O-CE 3.48Å; D226-F298 HydrophobicContact CB-CD1 4.22Å; D226-F298 WeakPolarHBondContact OD2-CA 3.45Å; D226-T299 PolarHBondContact OD1-OG1 3.24Å; D226-T299 VanDerWaalsContact OD1-OG1 3.06Å; D226-T299 WeakPolarHBondContact OD2-CB 3.42Å; D226-T299 PolarHBondContact OD2-N 3.1Å; D226-T299 PolarHBondContact OD2-OG1 3.13Å
227V98.9Very high98Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-63-44.6173.9179.50000111I19 P184 T187 V222 D223 V224 R225 A230 H231I19-V227 HydrophobicContact CD1-CG1 4.14Å; I19-V227 HydrophobicContact CG1-CG1 4.28Å; I19-V227 HydrophobicContact CG2-CG1 3.8Å; P184-V227 HydrophobicContact CB-CG1 4Å; P184-V227 HydrophobicContact CB-CG2 3.79Å; P184-V227 HydrophobicContact CG-CG1 4.42Å; T187-V227 HydrophobicContact CG2-CG2 3.92Å; V222-V227 HydrophobicContact CB-CG2 4.4Å; V222-V227 HydrophobicContact CG1-CG2 3.46Å; V222-V227 VanDerWaalsContact CG1-CG2 3.46Å; V222-V227 HydrophobicContact CG2-CG2 4.05Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.49Å; V224-V227 PolarHBondContact O-N 3.11Å; R225-V227 VanDerWaalsContact C-N 3.34Å; V227-A230 PolarHBondContact O-N 3.33Å; V227-H231 PolarHBondContact O-N 2.7Å; V227-H231 VanDerWaalsContact O-N 3.13Å; V227-H231 PolarHBondContact O-ND1 2.96Å
228A98.9Very high98Very high1 Ų120.5 Ų20.51%0.00810%0.104CC..Hα-helixtrans-60.8-48176.600000111.9W22 L23 E26 V224 R225 A230 H231 A232W22-A228 HydrophobicContact CB-CB 3.91Å; L23-A228 HydrophobicContact CB-CB 4.38Å; E26-A228 HydrophobicContact CB-CB 4.16Å; V224-A228 PolarHBondContact O-N 3.21Å; R225-A228 PolarHBondContact O-N 2.82Å; A228-A230 VanDerWaalsContact C-N 3.34Å; A228-A230 PolarHBondContact O-N 2.84Å; A228-H231 PolarHBondContact O-N 3.13Å; A228-A232 PolarHBondContact O-N 3.21Å; A228-A232 VanDerWaalsContact O-N 3.16Å
229R98.7Very high98.1Very high64 Ų6424.7 Ų24.724%0.24213%0.125CC..Hα-helixtrans-57.7-44.2174.3-75.7173.357.6-140.4-0.9112.2E26 R225 D226 H231 A232 L233 M296 Q297E26-R229 WeakPolarHBondContact OE1-CG 3.44Å; R225-R229 WeakPolarHBondContact O-CB 3.16Å; R225-R229 WeakPolarHBondContact O-CG 3.43Å; R225-R229 PolarHBondContact O-N 3.02Å; D226-R229 PolarHBondContact O-N 2.62Å; D226-R229 IonicContact OD1-NH1 3.21Å; D226-R229 PolarHBondContact OD1-NH1 3.36Å; R229-H231 VanDerWaalsContact C-N 3.3Å; R229-H231 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 3.01Å; R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 VanDerWaalsContact O-CG 3.31Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.15Å; R229-M296 HydrophobicContact CB-CE 4.38Å; R229-M296 HydrophobicContact CB-SD 4.25Å; R229-Q297 PolarHBondContact NH1-O 3.01Å
230A98.8Very high98.1Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-59.7-40.1178.400000112V182 D226 V227 A228 V234 L291V182-A230 HydrophobicContact CG1-CB 4.22Å; D226-A230 VanDerWaalsContact O-CB 3.31Å; D226-A230 WeakPolarHBondContact O-CB 3.3Å; D226-A230 PolarHBondContact O-N 2.93Å; V227-A230 PolarHBondContact O-N 3.33Å; A228-A230 VanDerWaalsContact C-N 3.34Å; A228-A230 PolarHBondContact O-N 2.84Å; A230-V234 WeakPolarHBondContact O-CG1 3.02Å; A230-V234 WeakPolarHBondContact O-CG2 3.42Å; A230-V234 PolarHBondContact O-N 3.02Å; A230-L291 HydrophobicContact CB-CD1 3.95Å; A230-L291 HydrophobicContact CB-CD2 4.09Å
231H98.9Very high98Very high0 Ų032.5 Ų32.50%015%0.153CC..Hα-helixtrans-62.5-46.8174.8-75.572.4000111.8L23 F83 V119 T121 V227 A228 R229 V234 Y235L23-H231 HydrophobicContact CD1-CB 3.7Å; L23-H231 HydrophobicContact CD2-CB 4.16Å; F83-H231 HydrophobicContact CD1-CB 4Å; F83-H231 HydrophobicContact CE1-CB 4.04Å; V119-H231 HydrophobicContact CG1-CB 4.4Å; V119-H231 VanDerWaalsContact CG1-CD2 3.5Å; V119-H231 WeakPolarHBondContact CG1-CD2 3.34Å; T121-H231 PolarHBondContact OG1-NE2 3.24Å; V227-H231 PolarHBondContact O-N 2.7Å; V227-H231 VanDerWaalsContact O-N 3.13Å; V227-H231 PolarHBondContact O-ND1 2.96Å; A228-H231 PolarHBondContact O-N 3.13Å; R229-H231 VanDerWaalsContact C-N 3.3Å; R229-H231 PolarHBondContact O-N 3.37Å; H231-V234 VanDerWaalsContact O-CG2 3.28Å; H231-V234 WeakPolarHBondContact O-CG2 3.14Å; H231-Y235 WeakPolarHBondContact O-CB 3.21Å; H231-Y235 PolarHBondContact O-N 2.99Å
232A98.4Very high98Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-62.7-46.517800000111.8E26 A228 R229 V234 Y235 E236E26-A232 HydrophobicContact CG-CB 4.04Å; A228-A232 PolarHBondContact O-N 3.21Å; A228-A232 VanDerWaalsContact O-N 3.16Å; R229-A232 PolarHBondContact O-N 3.01Å; A232-V234 PolarHBondContact O-N 3.1Å; A232-Y235 WeakPolarHBondContact O-CB 3.3Å; A232-Y235 PolarHBondContact O-N 3.07Å; A232-Y235 VanDerWaalsContact O-N 3.17Å; A232-E236 WeakPolarHBondContact O-CB 3.42Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.48Å
233L98.2Very high98Very high28 Ų2834.7 Ų34.715%0.14717%0.173CC..Hα-helixtrans-60.5-45.9-180-72173.3000112.6R229 Y235 E236 H237 L294 M296R229-L233 WeakPolarHBondContact O-CB 3.46Å; R229-L233 VanDerWaalsContact O-CG 3.31Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.15Å; L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 3.33Å; L233-E236 PolarHBondContact O-N 2.97Å; L233-H237 WeakPolarHBondContact O-CB 3.43Å; L233-H237 PolarHBondContact O-N 3.44Å; L233-H237 VanDerWaalsContact O-N 3.08Å; L233-L294 HydrophobicContact CB-CB 4.4Å; L233-M296 HydrophobicContact CD1-CB 4.17Å; L233-M296 HydrophobicContact CD1-SD 3.79Å
234V98.5Very high98Very high0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-66.7-36.2177.5-58.90000111.1V119 L180 V182 A230 H231 A232 A240 Y244 L291 L294V119-V234 HydrophobicContact CG1-CG2 3.76Å; V119-V234 HydrophobicContact CG2-CG2 4.15Å; L180-V234 HydrophobicContact CB-CG2 4.28Å; L180-V234 HydrophobicContact CD1-CB 4.31Å; L180-V234 HydrophobicContact CD1-CG2 4.28Å; L180-V234 WeakPolarHBondContact CD1-O 3.38Å; V182-V234 HydrophobicContact CG2-CG1 4.38Å; V182-V234 HydrophobicContact CG2-CG2 3.71Å; A230-V234 WeakPolarHBondContact O-CG1 3.02Å; A230-V234 WeakPolarHBondContact O-CG2 3.42Å; A230-V234 PolarHBondContact O-N 3.02Å; H231-V234 VanDerWaalsContact O-CG2 3.28Å; H231-V234 WeakPolarHBondContact O-CG2 3.14Å; A232-V234 PolarHBondContact O-N 3.1Å; V234-A240 WeakPolarHBondContact O-CB 3.34Å; V234-Y244 HydrophobicContact CB-CD2 4.27Å; V234-Y244 HydrophobicContact CB-CE2 4.22Å; V234-Y244 HydrophobicContact CG1-CD1 3.93Å; V234-Y244 HydrophobicContact CG1-CD2 3.52Å; V234-Y244 HydrophobicContact CG1-CE1 4.16Å; V234-Y244 HydrophobicContact CG1-CE2 3.77Å; V234-Y244 HydrophobicContact CG1-CG 3.6Å; V234-L291 HydrophobicContact CG1-CD2 3.85Å; V234-L294 HydrophobicContact CB-CD1 4.47Å; V234-L294 HydrophobicContact CG1-CD1 3.77Å
235Y98.4Very high98Very high14 Ų1435.1 Ų35.16%0.05517%0.174CC..Hα-helixtrans-65.8-40.3177.8177.1-101.1000112.4V10 Y32 F83 R117 V119 H231 A232 L233V10-Y235 HydrophobicContact CG1-CE1 4.13Å; Y32-Y235 AromaticContact CE1-CE1 3.88Å; Y32-Y235 HydrophobicContact CE1-CE1 3.88Å; F83-Y235 HydrophobicContact CE1-CD2 4.43Å; F83-Y235 HydrophobicContact CE1-CG 4.1Å; F83-Y235 HydrophobicContact CE2-CD2 4.36Å; F83-Y235 HydrophobicContact CE2-CG 4.28Å; F83-Y235 AromaticContact CZ-CD1 3.89Å; F83-Y235 HydrophobicContact CZ-CD1 3.89Å; F83-Y235 AromaticContact CZ-CD2 3.86Å; F83-Y235 HydrophobicContact CZ-CD2 3.86Å; F83-Y235 AromaticContact CZ-CG 3.47Å; F83-Y235 HydrophobicContact CZ-CG 3.47Å; F83-Y235 VanDerWaalsContact CZ-CG 3.47Å; R117-Y235 HydrophobicContact CB-CD2 4.38Å; R117-Y235 HydrophobicContact CB-CE2 4.02Å; R117-Y235 WeakPolarHBondContact CD-O 3.04Å; R117-Y235 HydrophobicContact CG-CD2 3.82Å; R117-Y235 HydrophobicContact CG-CE2 3.99Å; R117-Y235 PolarHBondContact NH1-O 3.44Å; V119-Y235 HydrophobicContact CG2-CD2 4.09Å; V119-Y235 HydrophobicContact CG2-CG 4.45Å; H231-Y235 WeakPolarHBondContact O-CB 3.21Å; H231-Y235 PolarHBondContact O-N 2.99Å; A232-Y235 WeakPolarHBondContact O-CB 3.3Å; A232-Y235 PolarHBondContact O-N 3.07Å; A232-Y235 VanDerWaalsContact O-N 3.17Å; L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 3.33Å
236E97Very high98Very high69 Ų6933 Ų3332%0.32217%0.167SC..Hα-helixtrans-78.6-32.2-176-73.8169.917700112.8R30 Y32 A232 L233 P238R30-E236 WeakPolarHBondContact CD-OE1 3.4Å; R30-E236 IonicContact CZ-OE1 3.77Å; R30-E236 IonicContact CZ-OE2 2.68Å; R30-E236 IonicContact NE-OE1 3.14Å; R30-E236 IonicContact NH1-OE1 2.66Å; R30-E236 PolarHBondContact NH1-OE1 3.47Å; R30-E236 IonicContact NH1-OE2 2.96Å; R30-E236 PolarHBondContact NH1-OE2 2.84Å; Y32-E236 WeakPolarHBondContact OH-CG 3.42Å; Y32-E236 PolarHBondContact OH-OE1 3.47Å; A232-E236 WeakPolarHBondContact O-CB 3.42Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.48Å; L233-E236 PolarHBondContact O-N 2.97Å; E236-P238 VanDerWaalsContact O-CD 3.31Å; E236-P238 WeakPolarHBondContact O-CD 3.11Å
237H97Very high98Very high70 Ų7033 Ų3332%0.32417%0.167SC..  trans-71.1120.7-175.4-166.4-72.3000111.1R117 L233 D239 A240 L294R117-H237 PolarHBondContact NH1-O 3.19Å; L233-H237 WeakPolarHBondContact O-CB 3.43Å; L233-H237 PolarHBondContact O-N 3.44Å; L233-H237 VanDerWaalsContact O-N 3.08Å; H237-D239 VanDerWaalsContact C-N 3.35Å; H237-D239 IonicContact CE1-OD2 3.2Å; H237-D239 PolarHBondContact ND1-N 2.9Å; H237-D239 PolarHBondContact O-N 3.25Å; H237-A240 HydrophobicContact CB-CB 4.09Å; H237-A240 WeakPolarHBondContact O-CB 3.33Å; H237-A240 PolarHBondContact O-N 3.44Å; H237-L294 HydrophobicContact CB-CD2 3.89Å; H237-L294 WeakPolarHBondContact CD2-CD2 3.4Å; H237-L294 VanDerWaalsContact CG-CD2 3.48Å
238P95Very high97.9Very high97 Ų9734.4 Ų34.463%0.6318%0.18SC*.THydrogen-bonded Turntrans-57.9-44-174.1-27.936.3000113.3R117 E236 A240R117-P238 PolarHBondContact NH2-O 3.47Å; E236-P238 VanDerWaalsContact O-CD 3.31Å; E236-P238 WeakPolarHBondContact O-CD 3.11Å; P238-A240 VanDerWaalsContact C-N 3.32Å; P238-A240 PolarHBondContact O-N 2.92Å
239D95.6Very high97.9Very high116 Ų11635.4 Ų35.462%0.6219%0.188SC*.THydrogen-bonded Turntrans-886-176.1-54.6-47.1000114.6H237 R241H237-D239 VanDerWaalsContact C-N 3.35Å; H237-D239 IonicContact CE1-OD2 3.2Å; H237-D239 PolarHBondContact ND1-N 2.9Å; H237-D239 PolarHBondContact O-N 3.25Å; D239-R241 PolarHBondContact O-N 3.49Å
240A97.2Very high97.8Very high4 Ų433 Ų333%0.03318%0.18CC..  trans-60.3136178.600000110.1L180 V234 H237 P238 Y244L180-A240 HydrophobicContact CD1-CB 4.39Å; L180-A240 HydrophobicContact CD2-CB 3.57Å; L180-A240 VanDerWaalsContact CD2-O 3.31Å; L180-A240 WeakPolarHBondContact CD2-O 3.14Å; V234-A240 WeakPolarHBondContact O-CB 3.34Å; H237-A240 HydrophobicContact CB-CB 4.09Å; H237-A240 WeakPolarHBondContact O-CB 3.33Å; H237-A240 PolarHBondContact O-N 3.44Å; P238-A240 VanDerWaalsContact C-N 3.32Å; P238-A240 PolarHBondContact O-N 2.92Å; A240-Y244 WeakPolarHBondContact CA-OH 3.18Å; A240-Y244 HydrophobicContact CB-CE2 4.36Å; A240-Y244 VanDerWaalsContact CB-OH 3.28Å; A240-Y244 WeakPolarHBondContact CB-OH 3.47Å
241R97Very high97.8Very high170 Ų17035 Ų3564%0.64219%0.19SC*.  trans-151.5153.9178.260.5-179179.8-99.36.3111.9D239 Y244 R290D239-R241 PolarHBondContact O-N 3.49Å; R241-Y244 PolarHBondContact N-OH 2.84Å; R241-Y244 WeakPolarHBondContact O-CE2 3.5Å; R241-R290 PolarHBondContact O-NH2 3.37Å
242G97.7Very high97.7Very high37 Ų3735.3 Ų35.338%0.38119%0.192SC..EExtended strand (participates in β ladder)trans67.7-145.7172.100000113.3V181V181-G242 PolarHBondContact N-O 3.01Å
243R98.6Very high97.6Very high14 Ų1435.9 Ų35.95%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-92158.6-175.1-51.3171.679.7-171.220.5111.3V127 E141 C143 E165 M169 V181 V183 R290V127-R243 VanDerWaalsContact CG2-NH2 3.32Å; E141-R243 HydrophobicContact CB-CB 4.01Å; E141-R243 HydrophobicContact CG-CB 3.92Å; E141-R243 WeakPolarHBondContact CG-O 3.34Å; E141-R243 WeakPolarHBondContact O-CD 3.37Å; E141-R243 PolarHBondContact O-NH1 3.41Å; C143-R243 PolarHBondContact O-NH1 2.93Å; E165-R243 VanDerWaalsContact OE1-CD 3.27Å; E165-R243 WeakPolarHBondContact OE1-CD 3.34Å; E165-R243 WeakPolarHBondContact OE1-CG 3.37Å; E165-R243 IonicContact OE1-CZ 2.73Å; E165-R243 VanDerWaalsContact OE1-CZ 3.31Å; E165-R243 IonicContact OE1-NE 3.45Å; E165-R243 PolarHBondContact OE1-NE 3.27Å; E165-R243 IonicContact OE1-NH2 3.55Å; E165-R243 PolarHBondContact OE1-NH2 3.35Å; E165-R243 IonicContact OE2-CZ 3.58Å; E165-R243 IonicContact OE2-NE 2.81Å; E165-R243 IonicContact OE2-NH2 3.52Å; E165-R243 PolarHBondContact OE2-NH2 3.03Å; M169-R243 HydrophobicContact CE-CG 3.74Å; V181-R243 HydrophobicContact CB-CB 4.48Å; V181-R243 HydrophobicContact CB-CG 4.21Å; V181-R243 CarbonylContact O-C 3.51Å; V181-R243 WeakPolarHBondContact O-CA 3.42Å; V183-R243 HydrophobicContact CG2-CB 4.3Å; R243-R290 PolarHBondContact O-NE 3.32Å; R243-R290 VanDerWaalsContact O-NE 3.14Å
244Y98.7Very high97.5Very high8 Ų835.5 Ų35.53%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-142.1112.8174.1-69.9-90.2000109.1L180 V181 V183 V234 A240 R241 C246 R290 L291 L294L180-Y244 HydrophobicContact CD2-CE2 4.25Å; V181-Y244 PolarHBondContact O-N 2.76Å; V183-Y244 PolarHBondContact N-O 3.23Å; V234-Y244 HydrophobicContact CB-CD2 4.27Å; V234-Y244 HydrophobicContact CB-CE2 4.22Å; V234-Y244 HydrophobicContact CG1-CD1 3.93Å; V234-Y244 HydrophobicContact CG1-CD2 3.52Å; V234-Y244 HydrophobicContact CG1-CE1 4.16Å; V234-Y244 HydrophobicContact CG1-CE2 3.77Å; V234-Y244 HydrophobicContact CG1-CG 3.6Å; A240-Y244 WeakPolarHBondContact CA-OH 3.18Å; A240-Y244 HydrophobicContact CB-CE2 4.36Å; A240-Y244 VanDerWaalsContact CB-OH 3.28Å; A240-Y244 WeakPolarHBondContact CB-OH 3.47Å; R241-Y244 PolarHBondContact N-OH 2.84Å; R241-Y244 WeakPolarHBondContact O-CE2 3.5Å; Y244-C246 PolarHBondContact O-N 3.2Å; Y244-R290 HydrophobicContact CD1-CB 3.66Å; Y244-R290 HydrophobicContact CE1-CB 3.78Å; Y244-L291 HydrophobicContact CD1-CD2 3.73Å; Y244-L291 HydrophobicContact CD1-CG 4.05Å; Y244-L291 HydrophobicContact CG-CD2 4.03Å; Y244-L291 HydrophobicContact CG-CG 4.43Å; Y244-L294 HydrophobicContact CD1-CD1 4.24Å; Y244-L294 HydrophobicContact CE1-CD1 3.71Å; Y244-L294 HydrophobicContact CE1-CG 4.39Å
245L98.6Very high97.4Very high1 Ų138.8 Ų38.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-70.9127.3174-65.3-161.4000109.9V127 V139 D140 E141 V183 I247 V288 L291V127-L245 HydrophobicContact CG2-CD2 3.91Å; V139-L245 HydrophobicContact CG1-CD1 4.16Å; D140-L245 VanDerWaalsContact C-CD1 3.48Å; E141-L245 HydrophobicContact CG-CD2 4.44Å; E141-L245 HydrophobicContact CG-CG 4.02Å; E141-L245 PolarHBondContact OE1-N 3.28Å; V183-L245 HydrophobicContact CB-CD2 3.77Å; V183-L245 HydrophobicContact CG1-CD2 3.88Å; V183-L245 HydrophobicContact CG2-CD2 4.2Å; L245-I247 HydrophobicContact CB-CD1 4.4Å; L245-I247 HydrophobicContact CD1-CD1 4.13Å; L245-V288 HydrophobicContact CB-CG1 4.3Å; L245-V288 WeakPolarHBondContact O-CG1 3.31Å; L245-L291 WeakPolarHBondContact O-CD1 3.41Å
246C98.8Very high97.4Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-11583.2179-170.80000109V182 V183 A185 Y244 L291V182-C246 HydrophobicContact CG1-CB 3.92Å; V183-C246 PolarHBondContact O-N 2.95Å; A185-C246 PolarHBondContact N-O 3.27Å; Y244-C246 PolarHBondContact O-N 3.2Å; C246-L291 HydrophobicContact CB-CD1 3.82Å
247I98.5Very high97.4Very high1 Ų135 Ų351%0.00519%0.192CC..  trans-127.3121-176.1-63.8167.6000108.4Y124 A185 A220 L245 V250 F286 V288Y124-I247 HydrophobicContact CD2-CD1 4.08Å; Y124-I247 HydrophobicContact CE2-CD1 4.34Å; A185-I247 HydrophobicContact CB-CB 4.49Å; A185-I247 HydrophobicContact CB-CG1 3.95Å; A220-I247 HydrophobicContact CB-CB 4.42Å; A220-I247 HydrophobicContact CB-CD1 4.38Å; A220-I247 HydrophobicContact CB-CG1 4.17Å; A220-I247 HydrophobicContact CB-CG2 3.49Å; A220-I247 VanDerWaalsContact CB-CG2 3.49Å; L245-I247 HydrophobicContact CB-CD1 4.4Å; L245-I247 HydrophobicContact CD1-CD1 4.13Å; I247-V250 HydrophobicContact CG2-CG2 4.08Å; I247-F286 HydrophobicContact CB-CD2 3.98Å; I247-F286 HydrophobicContact CB-CE2 3.92Å; I247-F286 HydrophobicContact CD1-CB 4.48Å; I247-F286 HydrophobicContact CD1-CD2 4.31Å; I247-F286 HydrophobicContact CG2-CD1 4.47Å; I247-F286 HydrophobicContact CG2-CD2 3.77Å; I247-F286 HydrophobicContact CG2-CE1 4.27Å; I247-F286 HydrophobicContact CG2-CE2 3.54Å; I247-F286 HydrophobicContact CG2-CG 4.24Å; I247-F286 HydrophobicContact CG2-CZ 3.8Å; I247-V288 HydrophobicContact CB-CG1 4.06Å; I247-V288 WeakPolarHBondContact O-CG1 3.47Å
248G98.1Very high97.4Very high28 Ų2835.6 Ų35.629%0.28919%0.191SC..SBendtrans-91-29.3173.900000113.5Y221Y221-G248 WeakPolarHBondContact O-CA 3.32Å; Y221-G248 PolarHBondContact O-N 3.13Å
249S97.9Very high97.5Very high23 Ų2331.9 Ų31.916%0.16117%0.166CC..EExtended strand (participates in β ladder)trans-161.9153.4176.957.50000112.6A220 Y221A220-S249 WeakPolarHBondContact CB-O 3.47Å; Y221-S249 PolarHBondContact N-O 3.43Å; Y221-S249 PolarHBondContact O-N 3.34Å; Y221-S249 VanDerWaalsContact O-N 3.07Å
250V97.8Very high97.6Very high14 Ų1426.4 Ų26.49%0.08514%0.137CC..EExtended strand (participates in β ladder)trans-119.2118.7172.2179.10000108.2V218 A220 I247 P283 Y284 F286V218-V250 HydrophobicContact CG1-CG1 3.3Å; A220-V250 HydrophobicContact CB-CB 4.39Å; A220-V250 HydrophobicContact CB-CG2 3.61Å; I247-V250 HydrophobicContact CG2-CG2 4.08Å; V250-P283 HydrophobicContact CG1-CB 4.04Å; V250-Y284 HydrophobicContact CB-CE2 4.36Å; V250-Y284 HydrophobicContact CG1-CD1 3.88Å; V250-Y284 HydrophobicContact CG1-CD2 4.24Å; V250-Y284 HydrophobicContact CG1-CE1 3.56Å; V250-Y284 HydrophobicContact CG1-CE2 3.92Å; V250-Y284 HydrophobicContact CG1-CG 4.19Å; V250-Y284 HydrophobicContact CG2-CD2 4.23Å; V250-Y284 HydrophobicContact CG2-CE1 4.46Å; V250-Y284 HydrophobicContact CG2-CE2 3.48Å; V250-Y284 VanDerWaalsContact CG2-CE2 3.48Å; V250-F286 HydrophobicContact CB-CD1 4.21Å; V250-F286 HydrophobicContact CB-CE1 4.18Å; V250-F286 HydrophobicContact CG2-CD1 3.28Å; V250-F286 HydrophobicContact CG2-CE1 3.52Å; V250-F286 HydrophobicContact CG2-CG 4.05Å; V250-F286 HydrophobicContact CG2-CZ 4.44Å
251L97.1Very high97.6Very high40 Ų4030.7 Ų30.721%0.20915%0.152CC..EExtended strand (participates in β ladder)trans-134.5150.4-178.1-62.2176.6000112.1V218 A219 Y221 E255 L259 L301V218-L251 WeakPolarHBondContact CA-O 3.28Å; A219-L251 PolarHBondContact N-O 2.91Å; A219-L251 PolarHBondContact O-N 3.07Å; A219-L251 VanDerWaalsContact O-N 3.15Å; Y221-L251 HydrophobicContact CE2-CB 4.12Å; L251-E255 HydrophobicContact CB-CB 4.29Å; L251-E255 HydrophobicContact CD1-CB 4.4Å; L251-E255 HydrophobicContact CD2-CB 4.41Å; L251-L259 HydrophobicContact CD1-CD1 3.91Å; L251-L301 HydrophobicContact CD1-CD2 3.43Å; L251-L301 VanDerWaalsContact CD1-CD2 3.43Å; L251-L301 HydrophobicContact CG-CD2 4.45Å
252H97Very high97.6Very high8 Ų827.2 Ų27.24%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-66.5150.8162.3-171.8-96.5000110.6N216 A217 V218 S254 E255 F256 M280 V281N216-H252 PolarHBondContact OD1-NE2 3.2Å; A217-H252 PolarHBondContact N-NE2 3.5Å; A217-H252 VanDerWaalsContact N-NE2 3.18Å; A217-H252 PolarHBondContact O-CD2 3.06Å; A217-H252 VanDerWaalsContact O-CD2 3.3Å; V218-H252 HydrophobicContact CG2-CB 4.21Å; H252-S254 WeakPolarHBondContact ND1-CB 3.45Å; H252-S254 PolarHBondContact ND1-N 3.49Å; H252-S254 PolarHBondContact ND1-OG 3.3Å; H252-S254 PolarHBondContact O-N 3.13Å; H252-E255 PolarHBondContact O-N 2.91Å; H252-E255 VanDerWaalsContact O-N 3.13Å; H252-F256 PolarHBondContact O-N 3.37Å; H252-M280 WeakPolarHBondContact CE1-CE 3.28Å; H252-M280 VanDerWaalsContact CE1-SD 3.55Å; H252-M280 WeakPolarHBondContact ND1-CE 3.36Å; H252-V281 PolarHBondContact CD2-O 3.18Å
253R96.2Very high97.5Very high12 Ų1226 Ų265%0.04513%0.128CC..Hα-helixtrans-62.9-26.8-178.6-77.1-71.7165.9-163.6-10.2114.3Y214 P215 A217 Y221 F256 V257Y214-R253 HydrophobicContact CD2-CB 3.9Å; Y214-R253 HydrophobicContact CG-CB 4.38Å; P215-R253 HydrophobicContact CG-CG 4.19Å; P215-R253 WeakPolarHBondContact O-CB 3.46Å; A217-R253 WeakPolarHBondContact O-CG 3.43Å; A217-R253 PolarHBondContact O-N 3.39Å; Y221-R253 PolarHBondContact OH-NE 3.44Å; Y221-R253 PolarHBondContact OH-NH1 3.41Å; Y221-R253 PolarHBondContact OH-NH2 3.04Å; R253-F256 WeakPolarHBondContact O-CB 3.42Å; R253-F256 PolarHBondContact O-N 3.49Å; R253-V257 WeakPolarHBondContact O-CG2 3.4Å; R253-V257 PolarHBondContact O-N 3.23Å
254S96.2Very high97.4Very high20 Ų2025.7 Ų25.714%0.1413%0.127CC..Hα-helixtrans-59.4-45.8172.359.70000112Y214 H252 V257 R258Y214-S254 WeakPolarHBondContact OH-CB 3.47Å; H252-S254 WeakPolarHBondContact ND1-CB 3.45Å; H252-S254 PolarHBondContact ND1-N 3.49Å; H252-S254 PolarHBondContact ND1-OG 3.3Å; H252-S254 PolarHBondContact O-N 3.13Å; S254-V257 VanDerWaalsContact O-CG2 3.23Å; S254-V257 WeakPolarHBondContact O-CG2 3.5Å; S254-V257 PolarHBondContact O-N 3.08Å; S254-R258 WeakPolarHBondContact O-CB 3.36Å; S254-R258 PolarHBondContact O-N 2.94Å
255E97.1Very high97.3Very high69 Ų6930.1 Ų30.132%0.32216%0.156SC..Hα-helixtrans-67.2-39.9178.3-66.1-53.6108.100110.9L251 H252 V257 R258 L259L251-E255 HydrophobicContact CB-CB 4.29Å; L251-E255 HydrophobicContact CD1-CB 4.4Å; L251-E255 HydrophobicContact CD2-CB 4.41Å; H252-E255 PolarHBondContact O-N 2.91Å; H252-E255 VanDerWaalsContact O-N 3.13Å; E255-V257 PolarHBondContact O-N 2.92Å; E255-R258 WeakPolarHBondContact O-CB 3.41Å; E255-R258 PolarHBondContact O-N 3.17Å; E255-R258 IonicContact OE1-NE 3.19Å; E255-R258 IonicContact OE2-CZ 2.84Å; E255-R258 IonicContact OE2-NE 2.7Å; E255-R258 PolarHBondContact OE2-NE 3.27Å; E255-R258 IonicContact OE2-NH2 3.88Å; E255-R258 PolarHBondContact OE2-NH2 3.24Å; E255-L259 WeakPolarHBondContact O-CG 3.38Å; E255-L259 PolarHBondContact O-N 2.73Å
256F97.4Very high97Very high3 Ų334.7 Ų34.71%0.01318%0.178CC..Hα-helixtrans-58.5-48.6175.1-176.3-93.6000112.6V203 Y206 Y221 H252 R253 R258 L259 L260 L301 L305V203-F256 HydrophobicContact CG2-CZ 4.09Å; Y206-F256 HydrophobicContact CD2-CE1 4.04Å; Y206-F256 HydrophobicContact CE2-CD1 4.39Å; Y206-F256 HydrophobicContact CE2-CE1 4.16Å; Y221-F256 HydrophobicContact CD1-CD2 4.05Å; Y221-F256 AromaticContact CD1-CE2 3.69Å; Y221-F256 HydrophobicContact CD1-CE2 3.69Å; Y221-F256 AromaticContact CE1-CD2 3.33Å; Y221-F256 HydrophobicContact CE1-CD2 3.33Å; Y221-F256 AromaticContact CE1-CE2 3.18Å; Y221-F256 HydrophobicContact CE1-CE2 3.18Å; Y221-F256 HydrophobicContact CE1-CG 4.23Å; Y221-F256 HydrophobicContact CE1-CZ 4.01Å; Y221-F256 AromaticContact CE2-CD2 3.97Å; Y221-F256 HydrophobicContact CE2-CD2 3.97Å; Y221-F256 AromaticContact CZ-CD2 3.26Å; Y221-F256 AromaticContact CZ-CE2 3.69Å; Y221-F256 AromaticContact CZ-CG 3.92Å; Y221-F256 VanDerWaalsContact OH-CD2 3.28Å; Y221-F256 WeakPolarHBondContact OH-CD2 3.44Å; Y221-F256 WeakPolarHBondContact OH-CG 3.35Å; H252-F256 PolarHBondContact O-N 3.37Å; R253-F256 WeakPolarHBondContact O-CB 3.42Å; R253-F256 PolarHBondContact O-N 3.49Å; F256-R258 VanDerWaalsContact C-N 3.35Å; F256-L259 PolarHBondContact O-N 3.16Å; F256-L260 HydrophobicContact CD1-CD1 4.1Å; F256-L260 HydrophobicContact CE1-CD1 3.67Å; F256-L260 HydrophobicContact CZ-CD1 4.35Å; F256-L260 PolarHBondContact O-N 2.88Å; F256-L301 HydrophobicContact CD2-CD2 4.44Å; F256-L305 HydrophobicContact CD2-CD1 4.34Å; F256-L305 HydrophobicContact CE2-CD1 4.2Å; F256-L305 HydrophobicContact CE2-CD2 3.64Å; F256-L305 HydrophobicContact CZ-CD2 3.84Å
257V96.9Very high96.9Very high1 Ų135.8 Ų35.81%0.00618%0.182CC..Hα-helixtrans-72.8-27.6177.7-59.20000112.5Y206 Y214 R253 S254 E255 L260 R261 I269Y206-V257 HydrophobicContact CD1-CG1 3.94Å; Y206-V257 HydrophobicContact CE1-CG1 3.89Å; Y206-V257 HydrophobicContact CG-CG1 4.3Å; Y214-V257 HydrophobicContact CD1-CB 4.49Å; Y214-V257 HydrophobicContact CD1-CG1 4.21Å; Y214-V257 HydrophobicContact CD1-CG2 3.57Å; Y214-V257 HydrophobicContact CE1-CG2 3.68Å; Y214-V257 HydrophobicContact CG-CG1 4.45Å; Y214-V257 HydrophobicContact CG-CG2 4.31Å; R253-V257 WeakPolarHBondContact O-CG2 3.4Å; R253-V257 PolarHBondContact O-N 3.23Å; S254-V257 VanDerWaalsContact O-CG2 3.23Å; S254-V257 WeakPolarHBondContact O-CG2 3.5Å; S254-V257 PolarHBondContact O-N 3.08Å; E255-V257 PolarHBondContact O-N 2.92Å; V257-L260 PolarHBondContact O-N 2.83Å; V257-R261 WeakPolarHBondContact O-CG 3.48Å; V257-R261 PolarHBondContact O-N 3.4Å; V257-I269 HydrophobicContact CB-CG2 4.03Å; V257-I269 HydrophobicContact CG1-CG2 4.49Å
258R97.4Very high96.7Very high81 Ų8139.9 Ų39.931%0.30621%0.209SC..Hα-helixtrans-62.5-48.7171.5-176.3-175.263.375.5-0.3110.7S254 E255 F256 L260 R261 E262S254-R258 WeakPolarHBondContact O-CB 3.36Å; S254-R258 PolarHBondContact O-N 2.94Å; E255-R258 WeakPolarHBondContact O-CB 3.41Å; E255-R258 PolarHBondContact O-N 3.17Å; E255-R258 IonicContact OE1-NE 3.19Å; E255-R258 IonicContact OE2-CZ 2.84Å; E255-R258 IonicContact OE2-NE 2.7Å; E255-R258 PolarHBondContact OE2-NE 3.27Å; E255-R258 IonicContact OE2-NH2 3.88Å; E255-R258 PolarHBondContact OE2-NH2 3.24Å; F256-R258 VanDerWaalsContact C-N 3.35Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 2.83Å; R258-R261 PolarHBondContact O-N 3.39Å; R258-R261 VanDerWaalsContact O-N 3.13Å; R258-E262 IonicContact CZ-OE1 2.67Å; R258-E262 IonicContact NH1-OE1 3.22Å; R258-E262 PolarHBondContact NH1-OE1 2.64Å; R258-E262 IonicContact NH1-OE2 2.6Å; R258-E262 PolarHBondContact NH1-OE2 3.43Å; R258-E262 VanDerWaalsContact NH1-OE2 3.11Å; R258-E262 WeakPolarHBondContact O-CG 3.38Å; R258-E262 PolarHBondContact O-N 2.67Å
259L97.8Very high96.6Very high20 Ų2039.2 Ų39.211%0.10520%0.199CC..Hα-helixtrans-57.9-42.5176.9-70.6174.2000112.2L251 E255 F256 E262 L263 L301 K302 L305L251-L259 HydrophobicContact CD1-CD1 3.91Å; E255-L259 WeakPolarHBondContact O-CG 3.38Å; E255-L259 PolarHBondContact O-N 2.73Å; F256-L259 PolarHBondContact O-N 3.16Å; L259-E262 PolarHBondContact O-N 3.18Å; L259-L263 WeakPolarHBondContact O-CB 3.22Å; L259-L263 VanDerWaalsContact O-CG 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.38Å; L259-L301 HydrophobicContact CD1-CD2 4.16Å; L259-K302 HydrophobicContact CD2-CB 4.48Å; L259-K302 HydrophobicContact CD2-CD 4.32Å; L259-K302 HydrophobicContact CD2-CG 4.41Å; L259-L305 HydrophobicContact CB-CD1 3.94Å; L259-L305 HydrophobicContact CD1-CD1 4.21Å
260L97.4Very high96.4Very high0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-62.9-41.6175.9-69.1175.3000112.4V203 M207 F256 V257 R258 L263 F264 I269 L305 V309V203-L260 HydrophobicContact CG1-CD1 4.5Å; V203-L260 HydrophobicContact CG1-CD2 4.18Å; M207-L260 HydrophobicContact SD-CB 4.18Å; M207-L260 HydrophobicContact SD-CD1 4.13Å; M207-L260 HydrophobicContact SD-CD2 3.89Å; M207-L260 HydrophobicContact SD-CG 4.3Å; F256-L260 HydrophobicContact CD1-CD1 4.1Å; F256-L260 HydrophobicContact CE1-CD1 3.67Å; F256-L260 HydrophobicContact CZ-CD1 4.35Å; F256-L260 PolarHBondContact O-N 2.88Å; V257-L260 PolarHBondContact O-N 2.83Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 2.83Å; L260-L263 PolarHBondContact O-N 3.27Å; L260-F264 PolarHBondContact O-N 3.45Å; L260-I269 HydrophobicContact CB-CD1 3.77Å; L260-L305 HydrophobicContact CD2-CB 4.17Å; L260-L305 HydrophobicContact CD2-CD1 4.21Å; L260-L305 HydrophobicContact CD2-CD2 4.13Å; L260-L305 HydrophobicContact CD2-CG 4.4Å; L260-L305 HydrophobicContact CG-CD1 4.44Å; L260-V309 HydrophobicContact CD2-CG2 4.22Å
261R96.5Very high96.2Very high95 Ų9541.7 Ų41.736%0.35822%0.216SC..Hα-helixtrans-66.3-38.4176.8-76.2-176.4-61.1145.81.7112.7V257 R258 F264 P265 I269V257-R261 WeakPolarHBondContact O-CG 3.48Å; V257-R261 PolarHBondContact O-N 3.4Å; R258-R261 PolarHBondContact O-N 3.39Å; R258-R261 VanDerWaalsContact O-N 3.13Å; R261-F264 CarbonylContact O-C 3.53Å; R261-P265 WeakPolarHBondContact O-CA 3.3Å; R261-P265 WeakPolarHBondContact O-CD 3.45Å; R261-P265 VanDerWaalsContact O-N 3.07Å; R261-I269 HydrophobicContact CG-CB 3.66Å; R261-I269 HydrophobicContact CG-CD1 4.01Å; R261-I269 HydrophobicContact CG-CG1 4.48Å; R261-I269 HydrophobicContact CG-CG2 3.79Å
262E97.1Very high96.1Very high96 Ų9648 Ų4845%0.44924%0.237SC..Hα-helixtrans-66.3-42176.7-76.2176.2-173.200112.1R258 L259 K302R258-E262 IonicContact CZ-OE1 2.67Å; R258-E262 IonicContact NH1-OE1 3.22Å; R258-E262 PolarHBondContact NH1-OE1 2.64Å; R258-E262 IonicContact NH1-OE2 2.6Å; R258-E262 PolarHBondContact NH1-OE2 3.43Å; R258-E262 VanDerWaalsContact NH1-OE2 3.11Å; R258-E262 WeakPolarHBondContact O-CG 3.38Å; R258-E262 PolarHBondContact O-N 2.67Å; L259-E262 PolarHBondContact O-N 3.18Å; E262-K302 IonicContact OE2-NZ 3.7Å
263L96.8Very high95.9Very high12 Ų1248 Ų486%0.06324%0.238CC..Hα-helixtrans-72.5-35.5178.8-70.3168.8000112.4L259 L260 K302 L305 Y306L259-L263 WeakPolarHBondContact O-CB 3.22Å; L259-L263 VanDerWaalsContact O-CG 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.38Å; L260-L263 PolarHBondContact O-N 3.27Å; L263-K302 HydrophobicContact CD1-CG 4.01Å; L263-K302 WeakPolarHBondContact CD1-O 3.21Å; L263-K302 HydrophobicContact CD2-CD 4.4Å; L263-K302 HydrophobicContact CD2-CG 3.87Å; L263-K302 HydrophobicContact CG-CG 4.15Å; L263-L305 HydrophobicContact CD1-CB 3.95Å; L263-Y306 HydrophobicContact CD2-CD2 4.23Å
264F96.3Very high95.6Very high7 Ų754.1 Ų54.13%0.03127%0.265CS..  trans-141.270.3-174.1-50.6-84.5000112.5M207 L260 R261 Q266 Y267 Y306 V309 I310M207-F264 HydrophobicContact CE-CB 3.79Å; M207-F264 HydrophobicContact CE-CD2 3.9Å; M207-F264 HydrophobicContact CE-CG 4Å; L260-F264 PolarHBondContact O-N 3.45Å; R261-F264 CarbonylContact O-C 3.53Å; F264-Q266 VanDerWaalsContact CA-OE1 3.29Å; F264-Q266 PolarHBondContact O-N 3.33Å; F264-Q266 VanDerWaalsContact O-N 3.08Å; F264-Y267 HydrophobicContact CB-CD2 3.61Å; F264-Y267 HydrophobicContact CB-CE2 4.06Å; F264-Y267 HydrophobicContact CD1-CE2 4.43Å; F264-Y267 HydrophobicContact CG-CD2 4.39Å; F264-Y267 HydrophobicContact CG-CE2 4.42Å; F264-Y267 PolarHBondContact O-N 3.48Å; F264-Y306 HydrophobicContact CE1-CD2 4.2Å; F264-Y306 HydrophobicContact CE1-CE2 4.26Å; F264-Y306 HydrophobicContact CE2-CD2 4.33Å; F264-Y306 AromaticContact CZ-CD2 3.58Å; F264-Y306 HydrophobicContact CZ-CD2 3.58Å; F264-Y306 HydrophobicContact CZ-CE2 4.08Å; F264-Y306 HydrophobicContact CZ-CG 4.27Å; F264-V309 HydrophobicContact CD1-CG1 3.86Å; F264-V309 HydrophobicContact CD2-CB 3.94Å; F264-V309 HydrophobicContact CD2-CG1 3.77Å; F264-V309 HydrophobicContact CD2-CG2 3.87Å; F264-V309 HydrophobicContact CE1-CB 4.12Å; F264-V309 HydrophobicContact CE1-CG1 3.65Å; F264-V309 HydrophobicContact CE2-CB 3.32Å; F264-V309 HydrophobicContact CE2-CG1 3.56Å; F264-V309 HydrophobicContact CE2-CG2 3.54Å; F264-V309 HydrophobicContact CG-CG1 3.93Å; F264-V309 HydrophobicContact CZ-CB 3.44Å; F264-V309 VanDerWaalsContact CZ-CB 3.44Å; F264-V309 HydrophobicContact CZ-CG1 3.51Å; F264-V309 HydrophobicContact CZ-CG2 4.19Å; F264-I310 HydrophobicContact CE1-CD1 4.04Å; F264-I310 HydrophobicContact CZ-CD1 4.34Å
265P95.5Very high95.1Very high101 Ų10155.4 Ų55.466%0.65627%0.27SS*.THydrogen-bonded Turntrans-63-17.2-175.725.5-35.7000114.3R261 Y267R261-P265 WeakPolarHBondContact O-CA 3.3Å; R261-P265 WeakPolarHBondContact O-CD 3.45Å; R261-P265 VanDerWaalsContact O-N 3.07Å; P265-Y267 VanDerWaalsContact C-N 3.3Å; P265-Y267 PolarHBondContact O-N 3.34Å
266Q93.1Very high94.2Very high98 Ų9858.4 Ų58.446%0.45829%0.288SS..THydrogen-bonded Turntrans-72.1-16.8178.868.1-84.118.700114.5F264 A321F264-Q266 VanDerWaalsContact CA-OE1 3.29Å; F264-Q266 PolarHBondContact O-N 3.33Å; F264-Q266 VanDerWaalsContact O-N 3.08Å; Q266-A321 HydrophobicContact CG-CB 3.82Å
267Y95.7Very high93.6Very high23 Ų2363.2 Ų63.29%0.0932%0.322CS..SBendtrans-90.9147-180-73.5-73.8000111.9M207 F264 P265 I269 V309 Q313 L318 P319M207-Y267 HydrophobicContact CB-CD1 4.46Å; M207-Y267 HydrophobicContact CB-CG 4.44Å; M207-Y267 HydrophobicContact CE-CD2 3.23Å; M207-Y267 HydrophobicContact CE-CE2 3.74Å; M207-Y267 HydrophobicContact CE-CG 3.75Å; M207-Y267 WeakPolarHBondContact O-CB 3.44Å; M207-Y267 VanDerWaalsContact O-CD1 3.32Å; M207-Y267 WeakPolarHBondContact O-CD1 3.4Å; F264-Y267 HydrophobicContact CB-CD2 3.61Å; F264-Y267 HydrophobicContact CB-CE2 4.06Å; F264-Y267 HydrophobicContact CD1-CE2 4.43Å; F264-Y267 HydrophobicContact CG-CD2 4.39Å; F264-Y267 HydrophobicContact CG-CE2 4.42Å; F264-Y267 PolarHBondContact O-N 3.48Å; P265-Y267 VanDerWaalsContact C-N 3.3Å; P265-Y267 PolarHBondContact O-N 3.34Å; Y267-I269 PolarHBondContact O-N 3.2Å; Y267-V309 HydrophobicContact CE2-CG1 4.28Å; Y267-Q313 PolarHBondContact OH-NE2 3.24Å; Y267-L318 HydrophobicContact CE1-CB 4.4Å; Y267-L318 HydrophobicContact CE1-CD2 4.49Å; Y267-P319 HydrophobicContact CE1-CG 4.32Å; Y267-P319 PolarHBondContact OH-O 2.97Å
268P95Very high93.1Very high87 Ų8769.5 Ų69.557%0.56535%0.349SS*.  trans-76.656.9-178.333.3-38.5000112.9M207 G209M207-P268 WeakPolarHBondContact O-CD 3.49Å; G209-P268 WeakPolarHBondContact CA-O 3.42Å
269I96.1Very high92.8Very high14 Ų1471.4 Ų71.47%0.07237%0.372CS..  trans-78.8125.6-179-57.9153.2000109.5M207 V257 L260 R261 Y267M207-I269 HydrophobicContact CE-CD1 4Å; M207-I269 HydrophobicContact SD-CD1 3.85Å; M207-I269 HydrophobicContact SD-CG1 4.19Å; V257-I269 HydrophobicContact CB-CG2 4.03Å; V257-I269 HydrophobicContact CG1-CG2 4.49Å; L260-I269 HydrophobicContact CB-CD1 3.77Å; R261-I269 HydrophobicContact CG-CB 3.66Å; R261-I269 HydrophobicContact CG-CD1 4.01Å; R261-I269 HydrophobicContact CG-CG1 4.48Å; R261-I269 HydrophobicContact CG-CG2 3.79Å; Y267-I269 PolarHBondContact O-N 3.2Å
270T94.4Very high92.5Very high16 Ų1674.7 Ų74.710%0.09839%0.388CS..  trans-62.2142.1179.6-175.10000113.6Y206 K211 S212 Y214 R272Y206-T270 HydrophobicContact CD1-CG2 4.37Å; Y206-T270 HydrophobicContact CE1-CG2 4.44Å; K211-T270 WeakPolarHBondContact O-CB 3.24Å; K211-T270 VanDerWaalsContact O-CG2 3.26Å; K211-T270 WeakPolarHBondContact O-CG2 3.33Å; S212-T270 WeakPolarHBondContact O-CB 3.44Å; S212-T270 PolarHBondContact O-OG1 3.27Å; Y214-T270 HydrophobicContact CD1-CG2 4.33Å; T270-R272 PolarHBondContact OG1-N 2.9Å
271S93.7Very high92.2Very high72 Ų7278 Ų7850%0.50341%0.408SS..  trans-102.4-3.2167.4590000113.2Y214Y214-S271 WeakPolarHBondContact CE1-O 3.19Å
272R94.1Very high92Very high173 Ų17382 Ų8265%0.65343%0.428SS*.  trans-87.1130.7-174.6-65.1178.757.9-176.6-3111.4A213 Y214 T270A213-R272 CarbonylContact C-O 3.5Å; A213-R272 WeakPolarHBondContact CA-O 3.4Å; A213-R272 HydrophobicContact CB-CB 4.16Å; A213-R272 VanDerWaalsContact CB-O 3.31Å; A213-R272 WeakPolarHBondContact CB-O 3.4Å; Y214-R272 WeakPolarHBondContact CD1-O 3.42Å; Y214-R272 VanDerWaalsContact CE1-C 3.47Å; Y214-R272 WeakPolarHBondContact CE1-O 3.33Å; Y214-R272 PolarHBondContact N-O 2.81Å; T270-R272 PolarHBondContact OG1-N 2.9Å
273C92.8Very high91.9Very high9 Ų980.8 Ų80.86%0.06143%0.428CS..BIsolated β-bridgetrans-84145.7166.4-179.10000110.1Y214 D275 N276Y214-C273 HydrophobicContact CD2-CB 4.08Å; Y214-C273 HydrophobicContact CE1-CB 4.45Å; Y214-C273 HydrophobicContact CE2-CB 3.4Å; Y214-C273 VanDerWaalsContact CE2-CB 3.4Å; Y214-C273 CarbonylContact O-C 3.54Å; Y214-C273 WeakPolarHBondContact O-CA 3.48Å; C273-D275 PolarHBondContact SG-O 3.04Å; C273-N276 WeakPolarHBondContact CB-OD1 3.25Å; C273-N276 PolarHBondContact O-OD1 3.21Å
274K90.9Very high91.8Very high140 Ų14082.5 Ų82.561%0.60943%0.434SS*.SBendtrans-70.6-31.7178.1-76.4-174.6174.1-164.50112.9A213 Y214A213-K274 HydrophobicContact CB-CB 4.4Å; A213-K274 HydrophobicContact CB-CG 3.5Å; A213-K274 VanDerWaalsContact CB-CG 3.5Å; A213-K274 WeakPolarHBondContact O-CE 3.36Å; Y214-K274 WeakPolarHBondContact O-CG 3.2Å; Y214-K274 PolarHBondContact O-N 3.41Å
275D84.8Confident91.9Very high46 Ų4689.2 Ų89.225%0.24646%0.463CS..  trans-128.292.6-178-172.7-6.7000108.8N216 C273 S277 K278N216-D275 HydrophobicContact CB-CB 4.26Å; C273-D275 PolarHBondContact SG-O 3.04Å; D275-S277 VanDerWaalsContact C-N 3.31Å; D275-S277 PolarHBondContact OD1-N 2.89Å; D275-S277 PolarHBondContact OD1-OG 3.15Å; D275-K278 PolarHBondContact OD1-N 3.42Å; D275-K278 VanDerWaalsContact OD2-CD 3.25Å; D275-K278 WeakPolarHBondContact OD2-CD 3.43Å; D275-K278 WeakPolarHBondContact OD2-CE 3.23Å; D275-K278 IonicContact OD2-NZ 3.79Å
276N78.5Confident91.9Very high133 Ų13387.4 Ų87.471%0.71145%0.445SS*.  trans-88.3-2.2175-69-8.1000112.3C273C273-N276 WeakPolarHBondContact CB-OD1 3.25Å; C273-N276 PolarHBondContact O-OD1 3.21Å
277S84.3Confident92.2Very high104 Ų10484.2 Ų84.273%0.72743%0.434SS*.SBendtrans-85-24.3-175.871.30000112.6D275D275-S277 VanDerWaalsContact C-N 3.31Å; D275-S277 PolarHBondContact OD1-N 2.89Å; D275-S277 PolarHBondContact OD1-OG 3.15Å
278K86.7Confident92.3Very high133 Ų13383.6 Ų83.658%0.57843%0.433SS*.SBendtrans-102.2151.2-179.3-63.2-176.9-170169.40111.7D275D275-K278 PolarHBondContact OD1-N 3.42Å; D275-K278 VanDerWaalsContact OD2-CD 3.25Å; D275-K278 WeakPolarHBondContact OD2-CD 3.43Å; D275-K278 WeakPolarHBondContact OD2-CE 3.23Å; D275-K278 IonicContact OD2-NZ 3.79Å
279P90.4Very high92.4Very high121 Ų12185.6 Ų85.679%0.78644%0.435SS*.PPolyproline II helixtrans-52.2143.7167.3-24.534000111.5N216 V281N216-P279 PolarHBondContact ND2-O 2.82Å; P279-V281 PolarHBondContact O-N 2.92Å
280M91.5Very high92.5Very high88 Ų8889.2 Ų89.243%0.43345%0.447SS..PPolyproline II helixtrans-64131.1178-67.6-74.5-98.800110.3N216 H252 K282N216-M280 WeakPolarHBondContact OD1-CA 3.48Å; H252-M280 WeakPolarHBondContact CE1-CE 3.28Å; H252-M280 VanDerWaalsContact CE1-SD 3.55Å; H252-M280 WeakPolarHBondContact ND1-CE 3.36Å; M280-K282 PolarHBondContact O-N 3.3Å
281V92.1Very high92.7Very high69 Ų6988.5 Ų88.542%0.41844%0.443SS..PPolyproline II helixtrans-64123.8177.5-179.30000108.8N216 V218 H252 P279N216-V281 WeakPolarHBondContact OD1-CG2 3.34Å; N216-V281 PolarHBondContact OD1-N 3.09Å; V218-V281 HydrophobicContact CB-CG1 4.28Å; V218-V281 HydrophobicContact CG2-CB 4.09Å; V218-V281 HydrophobicContact CG2-CG1 3.71Å; V218-V281 VanDerWaalsContact CG2-O 3.24Å; V218-V281 WeakPolarHBondContact CG2-O 3.47Å; H252-V281 PolarHBondContact CD2-O 3.18Å; P279-V281 PolarHBondContact O-N 2.92Å
282K93.1Very high92.9Very high181 Ų18190.1 Ų90.179%0.78744%0.442SS*.PPolyproline II helixtrans-78.8140.9-178.6-66.5-175.9179.7179.90111.1M280 Y284M280-K282 PolarHBondContact O-N 3.3Å; K282-Y284 PolarHBondContact O-N 3.45Å
283P95.1Very high93.1Very high69 Ų6986.9 Ų86.945%0.44844%0.442SS..PPolyproline II helixtrans-51.8134.5167-27.636.5000111.8V250V250-P283 HydrophobicContact CG1-CB 4.04Å
284Y94.6Very high93.3Very high48 Ų4887.6 Ų87.619%0.18845%0.445CS..PPolyproline II helixtrans-86.6160175.257.9-98000110.8Y124 V139 V218 A220 V250 K282 F286Y124-Y284 AromaticContact CE2-CZ 3.91Å; Y124-Y284 WeakPolarHBondContact CE2-OH 3.3Å; Y124-Y284 AromaticContact CZ-CZ 3.8Å; Y124-Y284 WeakPolarHBondContact OH-CE1 3.35Å; Y124-Y284 PolarHBondContact OH-OH 2.99Å; V139-Y284 HydrophobicContact CB-CD2 4.08Å; V139-Y284 HydrophobicContact CB-CE2 4.14Å; V139-Y284 HydrophobicContact CG2-CD2 3.56Å; V139-Y284 HydrophobicContact CG2-CE2 3.94Å; V139-Y284 HydrophobicContact CG2-CG 4.23Å; V218-Y284 HydrophobicContact CG1-CD1 3.96Å; V218-Y284 HydrophobicContact CG1-CE1 3.82Å; A220-Y284 WeakPolarHBondContact CB-OH 3.41Å; V250-Y284 HydrophobicContact CB-CE2 4.36Å; V250-Y284 HydrophobicContact CG1-CD1 3.88Å; V250-Y284 HydrophobicContact CG1-CD2 4.24Å; V250-Y284 HydrophobicContact CG1-CE1 3.56Å; V250-Y284 HydrophobicContact CG1-CE2 3.92Å; V250-Y284 HydrophobicContact CG1-CG 4.19Å; V250-Y284 HydrophobicContact CG2-CD2 4.23Å; V250-Y284 HydrophobicContact CG2-CE1 4.46Å; V250-Y284 HydrophobicContact CG2-CE2 3.48Å; V250-Y284 VanDerWaalsContact CG2-CE2 3.48Å; K282-Y284 PolarHBondContact O-N 3.45Å; Y284-F286 HydrophobicContact CD2-CB 4.43Å; Y284-F286 HydrophobicContact CE2-CB 4.17Å
285K96.5Very high93.5Very high148 Ų14883.5 Ų83.564%0.64344%0.442SS*.PPolyproline II helixtrans-81.6145.2173.6-62.9179.8-179.41780110.1I138 V139I138-K285 HydrophobicContact CG1-CB 4.05Å; V139-K285 PolarHBondContact N-O 2.97Å
286F97.4Very high94.2Very high63 Ų6381.6 Ų81.628%0.27643%0.432SS..BIsolated β-bridgetrans-141.8162.4179.267.5-81.3000110.7V139 I247 V250 Y284 V288V139-F286 HydrophobicContact CB-CB 4.2Å; V139-F286 CarbonylContact O-C 3.58Å; V139-F286 WeakPolarHBondContact O-CA 3.36Å; V139-F286 WeakPolarHBondContact O-CB 3.44Å; I247-F286 HydrophobicContact CB-CD2 3.98Å; I247-F286 HydrophobicContact CB-CE2 3.92Å; I247-F286 HydrophobicContact CD1-CB 4.48Å; I247-F286 HydrophobicContact CD1-CD2 4.31Å; I247-F286 HydrophobicContact CG2-CD1 4.47Å; I247-F286 HydrophobicContact CG2-CD2 3.77Å; I247-F286 HydrophobicContact CG2-CE1 4.27Å; I247-F286 HydrophobicContact CG2-CE2 3.54Å; I247-F286 HydrophobicContact CG2-CG 4.24Å; I247-F286 HydrophobicContact CG2-CZ 3.8Å; V250-F286 HydrophobicContact CB-CD1 4.21Å; V250-F286 HydrophobicContact CB-CE1 4.18Å; V250-F286 HydrophobicContact CG2-CD1 3.28Å; V250-F286 HydrophobicContact CG2-CE1 3.52Å; V250-F286 HydrophobicContact CG2-CG 4.05Å; V250-F286 HydrophobicContact CG2-CZ 4.44Å; Y284-F286 HydrophobicContact CD2-CB 4.43Å; Y284-F286 HydrophobicContact CE2-CB 4.17Å; F286-V288 HydrophobicContact CD2-CG1 3.91Å; F286-V288 HydrophobicContact CE2-CG1 3.89Å; F286-V288 HydrophobicContact CE2-CG2 4.23Å
287S98Very high95.1Very high31 Ų3182.4 Ų82.422%0.21743%0.431CS..  trans-121.4134.4172.5-176.30000110.2V139 Q289V139-S287 PolarHBondContact O-N 3.35Å; S287-Q289 WeakPolarHBondContact OG-CB 3.31Å; S287-Q289 PolarHBondContact OG-N 2.83Å
288V98.1Very high95.7Very high11 Ų1179.5 Ų79.57%0.06741%0.406CS..  trans-122.418.8168.3-68.90000110.9L245 I247 F286 R290 L291 E292 F298L245-V288 HydrophobicContact CB-CG1 4.3Å; L245-V288 WeakPolarHBondContact O-CG1 3.31Å; I247-V288 HydrophobicContact CB-CG1 4.06Å; I247-V288 WeakPolarHBondContact O-CG1 3.47Å; F286-V288 HydrophobicContact CD2-CG1 3.91Å; F286-V288 HydrophobicContact CE2-CG1 3.89Å; F286-V288 HydrophobicContact CE2-CG2 4.23Å; V288-R290 PolarHBondContact O-N 3.15Å; V288-L291 PolarHBondContact O-N 2.75Å; V288-E292 HydrophobicContact CG2-CG 4.14Å; V288-E292 PolarHBondContact O-N 3.45Å; V288-F298 HydrophobicContact CB-CE2 3.94Å; V288-F298 HydrophobicContact CB-CZ 4.14Å; V288-F298 HydrophobicContact CG1-CE2 4.38Å; V288-F298 HydrophobicContact CG1-CZ 4.24Å; V288-F298 HydrophobicContact CG2-CD2 4.35Å; V288-F298 HydrophobicContact CG2-CE2 3.64Å; V288-F298 HydrophobicContact CG2-CZ 4.31Å
289Q98Very high96.3Very high129 Ų12974.3 Ų74.360%0.60339%0.385SS*.Hα-helixtrans-54-34.1-174-173.3-179.313.500112.4S287 E292 T293S287-Q289 WeakPolarHBondContact OG-CB 3.31Å; S287-Q289 PolarHBondContact OG-N 2.83Å; Q289-E292 WeakPolarHBondContact CA-OE2 3.48Å; Q289-E292 PolarHBondContact O-N 3.22Å; Q289-T293 WeakPolarHBondContact O-CB 3.21Å; Q289-T293 PolarHBondContact O-N 2.95Å; Q289-T293 PolarHBondContact O-OG1 3.44Å
290R98.1Very high96.7Very high90 Ų9072.6 Ų72.634%0.3437%0.374SS..Hα-helixtrans-62.4-42.1177-66.4-177.170.185.92.7112.2E141 R241 R243 Y244 V288 L294E141-R290 WeakPolarHBondContact OE2-CD 3.44Å; R241-R290 PolarHBondContact O-NH2 3.37Å; R243-R290 PolarHBondContact O-NE 3.32Å; R243-R290 VanDerWaalsContact O-NE 3.14Å; Y244-R290 HydrophobicContact CD1-CB 3.66Å; Y244-R290 HydrophobicContact CE1-CB 3.78Å; V288-R290 PolarHBondContact O-N 3.15Å; R290-L294 WeakPolarHBondContact O-CG 3.43Å
291L98.3Very high97Very high0 Ų069.1 Ų69.10%036%0.357CS..Hα-helixtrans-73.7-39.4175.1-78.7-177000111.5A230 V234 Y244 L245 C246 V288 T293 L294 M296 F298A230-L291 HydrophobicContact CB-CD1 3.95Å; A230-L291 HydrophobicContact CB-CD2 4.09Å; V234-L291 HydrophobicContact CG1-CD2 3.85Å; Y244-L291 HydrophobicContact CD1-CD2 3.73Å; Y244-L291 HydrophobicContact CD1-CG 4.05Å; Y244-L291 HydrophobicContact CG-CD2 4.03Å; Y244-L291 HydrophobicContact CG-CG 4.43Å; L245-L291 WeakPolarHBondContact O-CD1 3.41Å; C246-L291 HydrophobicContact CB-CD1 3.82Å; V288-L291 PolarHBondContact O-N 2.75Å; L291-T293 PolarHBondContact O-N 3.27Å; L291-L294 HydrophobicContact CD2-CD1 4.31Å; L291-L294 CarbonylContact O-C 3.5Å; L291-L294 WeakPolarHBondContact O-CA 3.35Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 2.8Å; L291-M296 VanDerWaalsContact C-CB 3.48Å; L291-M296 HydrophobicContact CB-CB 3.79Å; L291-M296 HydrophobicContact CB-CG 4.11Å; L291-M296 WeakPolarHBondContact O-CB 3.38Å; L291-M296 PolarHBondContact O-N 3.45Å; L291-M296 VanDerWaalsContact O-N 3.1Å; L291-F298 HydrophobicContact CB-CZ 4.42Å; L291-F298 HydrophobicContact CD1-CZ 3.95Å
292E97.7Very high97.3Very high107 Ų10770.3 Ų70.350%0.536%0.357SS..Hα-helixtrans-59.9-37.5176.7-67.7175.5145.100111.6V288 Q289 L294 G295V288-E292 HydrophobicContact CG2-CG 4.14Å; V288-E292 PolarHBondContact O-N 3.45Å; Q289-E292 WeakPolarHBondContact CA-OE2 3.48Å; Q289-E292 PolarHBondContact O-N 3.22Å; E292-L294 PolarHBondContact O-N 3.42Å; E292-G295 WeakPolarHBondContact O-CA 3.4Å; E292-G295 PolarHBondContact O-N 2.89Å
293T97.3Very high97.5Very high105 Ų10564.1 Ų64.164%0.64433%0.331SS*.Hα-helixtrans-61.8-25.6173.9-56.10000112.3Q289 L291 G295Q289-T293 WeakPolarHBondContact O-CB 3.21Å; Q289-T293 PolarHBondContact O-N 2.95Å; Q289-T293 PolarHBondContact O-OG1 3.44Å; L291-T293 PolarHBondContact O-N 3.27Å; T293-G295 VanDerWaalsContact C-N 3.25Å; T293-G295 PolarHBondContact O-N 3.31Å
294L97.4Very high97.7Very high24 Ų2460.9 Ų60.913%0.12631%0.31CS..THydrogen-bonded Turntrans-85.79173.1-52.6-176.9000113L233 V234 H237 Y244 R290 L291 E292L233-L294 HydrophobicContact CB-CB 4.4Å; V234-L294 HydrophobicContact CB-CD1 4.47Å; V234-L294 HydrophobicContact CG1-CD1 3.77Å; H237-L294 HydrophobicContact CB-CD2 3.89Å; H237-L294 WeakPolarHBondContact CD2-CD2 3.4Å; H237-L294 VanDerWaalsContact CG-CD2 3.48Å; Y244-L294 HydrophobicContact CD1-CD1 4.24Å; Y244-L294 HydrophobicContact CE1-CD1 3.71Å; Y244-L294 HydrophobicContact CE1-CG 4.39Å; R290-L294 WeakPolarHBondContact O-CG 3.43Å; L291-L294 HydrophobicContact CD2-CD1 4.31Å; L291-L294 CarbonylContact O-C 3.5Å; L291-L294 WeakPolarHBondContact O-CA 3.35Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 2.8Å; E292-L294 PolarHBondContact O-N 3.42Å
295G96.7Very high97.9Very high53 Ų5358.6 Ų58.655%0.54630%0.301SS..THydrogen-bonded Turntrans81.815.6-177.500000114.2E292 T293E292-G295 WeakPolarHBondContact O-CA 3.4Å; E292-G295 PolarHBondContact O-N 2.89Å; T293-G295 VanDerWaalsContact C-N 3.25Å; T293-G295 PolarHBondContact O-N 3.31Å
296M97.8Very high97.9Very high7 Ų753.9 Ų53.93%0.03428%0.279CS..  trans-67136.2177.1-170.160.5-172.900111.3D226 R229 L233 L291 F298D226-M296 VanDerWaalsContact CA-CE 3.48Å; D226-M296 HydrophobicContact CB-CE 3.33Å; D226-M296 WeakPolarHBondContact O-CE 3.48Å; R229-M296 HydrophobicContact CB-CE 4.38Å; R229-M296 HydrophobicContact CB-SD 4.25Å; L233-M296 HydrophobicContact CD1-CB 4.17Å; L233-M296 HydrophobicContact CD1-SD 3.79Å; L291-M296 VanDerWaalsContact C-CB 3.48Å; L291-M296 HydrophobicContact CB-CB 3.79Å; L291-M296 HydrophobicContact CB-CG 4.11Å; L291-M296 WeakPolarHBondContact O-CB 3.38Å; L291-M296 PolarHBondContact O-N 3.45Å; L291-M296 VanDerWaalsContact O-N 3.1Å; M296-F298 HydrophobicContact CE-CD1 4.01Å; M296-F298 HydrophobicContact CE-CE1 3.91Å; M296-F298 HydrophobicContact CE-CZ 4.46Å; M296-F298 HydrophobicContact CG-CD2 4.41Å; M296-F298 HydrophobicContact CG-CE1 4.14Å; M296-F298 HydrophobicContact CG-CE2 3.9Å; M296-F298 HydrophobicContact CG-CZ 3.76Å
297Q97.3Very high98Very high149 Ų14954.8 Ų54.870%0.69628%0.281SS*.  trans-128.7132.5169.8-68.1-176.6-10.800108R229R229-Q297 PolarHBondContact NH1-O 3.01Å
298F98.4Very high98Very high43 Ų4353.4 Ų53.419%0.18927%0.271CS..PPolyproline II helixtrans-95.5133.9-176.3-66.5-82.4000111.6V222 D226 V288 L291 M296V222-F298 HydrophobicContact CG2-CD1 4.09Å; V222-F298 HydrophobicContact CG2-CE1 4.17Å; D226-F298 HydrophobicContact CB-CD1 4.22Å; D226-F298 WeakPolarHBondContact OD2-CA 3.45Å; V288-F298 HydrophobicContact CB-CE2 3.94Å; V288-F298 HydrophobicContact CB-CZ 4.14Å; V288-F298 HydrophobicContact CG1-CE2 4.38Å; V288-F298 HydrophobicContact CG1-CZ 4.24Å; V288-F298 HydrophobicContact CG2-CD2 4.35Å; V288-F298 HydrophobicContact CG2-CE2 3.64Å; V288-F298 HydrophobicContact CG2-CZ 4.31Å; L291-F298 HydrophobicContact CB-CZ 4.42Å; L291-F298 HydrophobicContact CD1-CZ 3.95Å; M296-F298 HydrophobicContact CE-CD1 4.01Å; M296-F298 HydrophobicContact CE-CE1 3.91Å; M296-F298 HydrophobicContact CE-CZ 4.46Å; M296-F298 HydrophobicContact CG-CD2 4.41Å; M296-F298 HydrophobicContact CG-CE1 4.14Å; M296-F298 HydrophobicContact CG-CE2 3.9Å; M296-F298 HydrophobicContact CG-CZ 3.76Å
299T98.5Very high98Very high24 Ų2452.9 Ų52.915%0.14727%0.268CS..PPolyproline II helixtrans-64.8132.6173.4-55.90000109.6D226 L301 E303D226-T299 PolarHBondContact OD1-OG1 3.24Å; D226-T299 VanDerWaalsContact OD1-OG1 3.06Å; D226-T299 WeakPolarHBondContact OD2-CB 3.42Å; D226-T299 PolarHBondContact OD2-N 3.1Å; D226-T299 PolarHBondContact OD2-OG1 3.13Å; T299-L301 PolarHBondContact O-N 2.9Å; T299-E303 HydrophobicContact CG2-CB 4.12Å; T299-E303 HydrophobicContact CG2-CG 4.4Å
300P98.2Very high97.9Very high85 Ų8548.6 Ų48.655%0.55225%0.249SC*.PPolyproline II helixtrans-57.6132.5175.2-25.434.8000112K302 E303 S304P300-K302 PolarHBondContact O-N 2.74Å; P300-E303 WeakPolarHBondContact O-CB 3.43Å; P300-E303 PolarHBondContact O-N 3Å; P300-S304 PolarHBondContact O-N 3.42Å; P300-S304 PolarHBondContact O-OG 3.19Å
301L98.2Very high97.9Very high15 Ų1544.5 Ų44.58%0.07923%0.234CC..Hα-helixtrans-55-35-176.3179.963.8000113.1V188 Y221 L251 F256 L259 T299 E303 S304 L305V188-L301 HydrophobicContact CG2-CD1 3.82Å; Y221-L301 HydrophobicContact CD2-CD2 3.94Å; Y221-L301 HydrophobicContact CG-CD1 4.09Å; Y221-L301 HydrophobicContact CG-CD2 4.09Å; L251-L301 HydrophobicContact CD1-CD2 3.43Å; L251-L301 VanDerWaalsContact CD1-CD2 3.43Å; L251-L301 HydrophobicContact CG-CD2 4.45Å; F256-L301 HydrophobicContact CD2-CD2 4.44Å; L259-L301 HydrophobicContact CD1-CD2 4.16Å; T299-L301 PolarHBondContact O-N 2.9Å; L301-E303 VanDerWaalsContact C-N 3.3Å; L301-E303 PolarHBondContact O-N 3.21Å; L301-S304 PolarHBondContact O-N 2.8Å; L301-L305 HydrophobicContact CD1-CD1 4.38Å; L301-L305 HydrophobicContact CD1-CD2 4.35Å; L301-L305 HydrophobicContact CD1-CG 4Å; L301-L305 HydrophobicContact CD2-CD1 4.34Å; L301-L305 HydrophobicContact CG-CD1 3.97Å; L301-L305 HydrophobicContact CG-CG 4.06Å; L301-L305 WeakPolarHBondContact O-CB 3.13Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.14Å; L301-L305 PolarHBondContact O-N 3.4Å
302K98.1Very high97.8Very high94 Ų9444.5 Ų44.541%0.40923%0.234SC..Hα-helixtrans-59.3-41.8178-171.8172.4-179.6172.10111.5L259 E262 L263 P300 Y306L259-K302 HydrophobicContact CD2-CB 4.48Å; L259-K302 HydrophobicContact CD2-CD 4.32Å; L259-K302 HydrophobicContact CD2-CG 4.41Å; E262-K302 IonicContact OE2-NZ 3.7Å; L263-K302 HydrophobicContact CD1-CG 4.01Å; L263-K302 WeakPolarHBondContact CD1-O 3.21Å; L263-K302 HydrophobicContact CD2-CD 4.4Å; L263-K302 HydrophobicContact CD2-CG 3.87Å; L263-K302 HydrophobicContact CG-CG 4.15Å; P300-K302 PolarHBondContact O-N 2.74Å; K302-Y306 PolarHBondContact O-N 2.81Å
303E98.3Very high97.8Very high52 Ų5240.5 Ų40.524%0.24322%0.215CC..Hα-helixtrans-67-45175-169.6-165.2146.100111.2R225 T299 P300 L301 L305 Y306 R307 L328R225-E303 IonicContact NH1-OE1 3.87Å; R225-E303 IonicContact NH2-OE1 3.76Å; T299-E303 HydrophobicContact CG2-CB 4.12Å; T299-E303 HydrophobicContact CG2-CG 4.4Å; P300-E303 WeakPolarHBondContact O-CB 3.43Å; P300-E303 PolarHBondContact O-N 3Å; L301-E303 VanDerWaalsContact C-N 3.3Å; L301-E303 PolarHBondContact O-N 3.21Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 3.47Å; E303-Y306 WeakPolarHBondContact O-CB 3.39Å; E303-Y306 PolarHBondContact O-N 3.12Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-CZ 2.69Å; E303-R307 VanDerWaalsContact OE1-CZ 3.26Å; E303-R307 IonicContact OE1-NE 3.87Å; E303-R307 PolarHBondContact OE1-NE 3.03Å; E303-R307 IonicContact OE1-NH2 3Å; E303-R307 PolarHBondContact OE1-NH2 2.65Å; E303-L328 HydrophobicContact CB-CD2 4.48Å; E303-L328 HydrophobicContact CG-CD1 4.36Å; E303-L328 HydrophobicContact CG-CD2 4.32Å
304S98.5Very high97.7Very high1 Ų140.3 Ų40.31%0.00721%0.21CC..Hα-helixtrans-59.1-41.2177.7-530000112.4D223 P300 L301 T308D223-S304 WeakPolarHBondContact CB-OG 3.48Å; D223-S304 WeakPolarHBondContact OD2-CA 3.33Å; D223-S304 WeakPolarHBondContact OD2-CB 3.39Å; D223-S304 PolarHBondContact OD2-OG 3.48Å; P300-S304 PolarHBondContact O-N 3.42Å; P300-S304 PolarHBondContact O-OG 3.19Å; L301-S304 PolarHBondContact O-N 2.8Å; S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 3.44Å; S304-T308 PolarHBondContact O-OG1 3.02Å
305L98.3Very high97.6Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-67.7-41.4176.6-70.6178.1000112V188 F256 L259 L260 L263 L301 E303 T308 V309V188-L305 HydrophobicContact CG2-CD2 4.29Å; F256-L305 HydrophobicContact CD2-CD1 4.34Å; F256-L305 HydrophobicContact CE2-CD1 4.2Å; F256-L305 HydrophobicContact CE2-CD2 3.64Å; F256-L305 HydrophobicContact CZ-CD2 3.84Å; L259-L305 HydrophobicContact CB-CD1 3.94Å; L259-L305 HydrophobicContact CD1-CD1 4.21Å; L260-L305 HydrophobicContact CD2-CB 4.17Å; L260-L305 HydrophobicContact CD2-CD1 4.21Å; L260-L305 HydrophobicContact CD2-CD2 4.13Å; L260-L305 HydrophobicContact CD2-CG 4.4Å; L260-L305 HydrophobicContact CG-CD1 4.44Å; L263-L305 HydrophobicContact CD1-CB 3.95Å; L301-L305 HydrophobicContact CD1-CD1 4.38Å; L301-L305 HydrophobicContact CD1-CD2 4.35Å; L301-L305 HydrophobicContact CD1-CG 4Å; L301-L305 HydrophobicContact CD2-CD1 4.34Å; L301-L305 HydrophobicContact CG-CD1 3.97Å; L301-L305 HydrophobicContact CG-CG 4.06Å; L301-L305 WeakPolarHBondContact O-CB 3.13Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.14Å; L301-L305 PolarHBondContact O-N 3.4Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 3.47Å; L305-T308 WeakPolarHBondContact O-CB 3.31Å; L305-T308 PolarHBondContact O-N 2.96Å; L305-V309 WeakPolarHBondContact O-CG2 3.26Å; L305-V309 PolarHBondContact O-N 3.38Å; L305-V309 VanDerWaalsContact O-N 3.07Å
306Y98.3Very high97.4Very high48 Ų4843.1 Ų43.119%0.18823%0.225CC..Hα-helixtrans-55.6-53.7173.6178.6-94.6000110.5L263 F264 K302 E303 T308 V309 I310 L328L263-Y306 HydrophobicContact CD2-CD2 4.23Å; F264-Y306 HydrophobicContact CE1-CD2 4.2Å; F264-Y306 HydrophobicContact CE1-CE2 4.26Å; F264-Y306 HydrophobicContact CE2-CD2 4.33Å; F264-Y306 AromaticContact CZ-CD2 3.58Å; F264-Y306 HydrophobicContact CZ-CD2 3.58Å; F264-Y306 HydrophobicContact CZ-CE2 4.08Å; F264-Y306 HydrophobicContact CZ-CG 4.27Å; K302-Y306 PolarHBondContact O-N 2.81Å; E303-Y306 WeakPolarHBondContact O-CB 3.39Å; E303-Y306 PolarHBondContact O-N 3.12Å; Y306-T308 VanDerWaalsContact C-N 3.29Å; Y306-T308 PolarHBondContact O-N 3.18Å; Y306-V309 PolarHBondContact O-N 3.14Å; Y306-V309 VanDerWaalsContact O-N 3.15Å; Y306-I310 HydrophobicContact CD1-CG1 4.04Å; Y306-I310 HydrophobicContact CE1-CD1 4.4Å; Y306-I310 HydrophobicContact CE1-CG1 3.67Å; Y306-I310 HydrophobicContact CE2-CD1 4.21Å; Y306-I310 HydrophobicContact CE2-CG1 4.19Å; Y306-I310 HydrophobicContact CG-CG1 4.47Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 2.83Å; Y306-L328 HydrophobicContact CD1-CD1 3.44Å; Y306-L328 VanDerWaalsContact CD1-CD1 3.44Å; Y306-L328 HydrophobicContact CD1-CD2 4.44Å; Y306-L328 HydrophobicContact CD1-CG 3.91Å; Y306-L328 HydrophobicContact CD2-CG 4.48Å; Y306-L328 HydrophobicContact CE1-CD1 3.65Å; Y306-L328 HydrophobicContact CE1-CG 4.12Å; Y306-L328 HydrophobicContact CG-CD1 4.1Å; Y306-L328 HydrophobicContact CG-CD2 4.28Å; Y306-L328 HydrophobicContact CG-CG 4.09Å
307R97.9Very high97.3Very high83 Ų8345 Ų4531%0.31323%0.233SC..Hα-helixtrans-61.8-35.2178.7-68.7178.6-174.5-88.32.3113.3E190 R225 E303 S311E190-R307 HydrophobicContact CB-CB 4.4Å; R225-R307 VanDerWaalsContact CZ-CD 3.46Å; R225-R307 VanDerWaalsContact NH1-CZ 3.35Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-CZ 2.69Å; E303-R307 VanDerWaalsContact OE1-CZ 3.26Å; E303-R307 IonicContact OE1-NE 3.87Å; E303-R307 PolarHBondContact OE1-NE 3.03Å; E303-R307 IonicContact OE1-NH2 3Å; E303-R307 PolarHBondContact OE1-NH2 2.65Å; R307-S311 VanDerWaalsContact O-CB 3.25Å; R307-S311 WeakPolarHBondContact O-CB 3.37Å; R307-S311 PolarHBondContact O-N 3.32Å
308T98.4Very high97.1Very high1 Ų138.1 Ų38.11%0.00620%0.201CC..Hα-helixtrans-59.6-48.6174.7-550000111.1G189 V200 V203 S304 L305 Y306 S311 L312G189-T308 VanDerWaalsContact CA-OG1 3.25Å; G189-T308 WeakPolarHBondContact CA-OG1 3.25Å; G189-T308 PolarHBondContact N-OG1 3.4Å; G189-T308 PolarHBondContact O-OG1 2.95Å; V200-T308 HydrophobicContact CG1-CG2 3.71Å; V200-T308 HydrophobicContact CG2-CG2 4.38Å; V203-T308 HydrophobicContact CB-CG2 4.17Å; V203-T308 HydrophobicContact CG1-CG2 4.02Å; V203-T308 HydrophobicContact CG2-CG2 4.16Å; S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 3.44Å; S304-T308 PolarHBondContact O-OG1 3.02Å; L305-T308 WeakPolarHBondContact O-CB 3.31Å; L305-T308 PolarHBondContact O-N 2.96Å; Y306-T308 VanDerWaalsContact C-N 3.29Å; Y306-T308 PolarHBondContact O-N 3.18Å; T308-S311 PolarHBondContact O-N 3.42Å; T308-L312 HydrophobicContact CG2-CD1 4.29Å; T308-L312 WeakPolarHBondContact O-CG 3.43Å; T308-L312 PolarHBondContact O-N 2.95Å
309V97.8Very high96.7Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-71.8-41.1-1771740000111.5V203 M207 L260 F264 Y267 L305 Y306 S311 L312 Q313 L318V203-V309 HydrophobicContact CG1-CG2 4.2Å; M207-V309 HydrophobicContact CE-CB 4.45Å; M207-V309 HydrophobicContact CE-CG1 3.77Å; M207-V309 HydrophobicContact CE-CG2 3.77Å; M207-V309 HydrophobicContact CG-CG2 4.12Å; M207-V309 HydrophobicContact SD-CG2 3.84Å; L260-V309 HydrophobicContact CD2-CG2 4.22Å; F264-V309 HydrophobicContact CD1-CG1 3.86Å; F264-V309 HydrophobicContact CD2-CB 3.94Å; F264-V309 HydrophobicContact CD2-CG1 3.77Å; F264-V309 HydrophobicContact CD2-CG2 3.87Å; F264-V309 HydrophobicContact CE1-CB 4.12Å; F264-V309 HydrophobicContact CE1-CG1 3.65Å; F264-V309 HydrophobicContact CE2-CB 3.32Å; F264-V309 HydrophobicContact CE2-CG1 3.56Å; F264-V309 HydrophobicContact CE2-CG2 3.54Å; F264-V309 HydrophobicContact CG-CG1 3.93Å; F264-V309 HydrophobicContact CZ-CB 3.44Å; F264-V309 VanDerWaalsContact CZ-CB 3.44Å; F264-V309 HydrophobicContact CZ-CG1 3.51Å; F264-V309 HydrophobicContact CZ-CG2 4.19Å; Y267-V309 HydrophobicContact CE2-CG1 4.28Å; L305-V309 WeakPolarHBondContact O-CG2 3.26Å; L305-V309 PolarHBondContact O-N 3.38Å; L305-V309 VanDerWaalsContact O-N 3.07Å; Y306-V309 PolarHBondContact O-N 3.14Å; Y306-V309 VanDerWaalsContact O-N 3.15Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 2.91Å; V309-L312 WeakPolarHBondContact O-CB 3.19Å; V309-L312 PolarHBondContact O-N 3.04Å; V309-L312 VanDerWaalsContact O-N 3.11Å; V309-Q313 WeakPolarHBondContact O-CG 3.44Å; V309-Q313 PolarHBondContact O-N 2.78Å; V309-L318 HydrophobicContact CG1-CD1 4.19Å
310I97.5Very high95.7Very high40 Ų4043.1 Ų43.121%0.20525%0.245CC..Hα-helixtrans-58.2-46.9173-63.1-53.7000110.2F264 Y306 L312 Q313 D314F264-I310 HydrophobicContact CE1-CD1 4.04Å; F264-I310 HydrophobicContact CZ-CD1 4.34Å; Y306-I310 HydrophobicContact CD1-CG1 4.04Å; Y306-I310 HydrophobicContact CE1-CD1 4.4Å; Y306-I310 HydrophobicContact CE1-CG1 3.67Å; Y306-I310 HydrophobicContact CE2-CD1 4.21Å; Y306-I310 HydrophobicContact CE2-CG1 4.19Å; Y306-I310 HydrophobicContact CG-CG1 4.47Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 2.83Å; I310-L312 VanDerWaalsContact C-N 3.26Å; I310-L312 PolarHBondContact O-N 3.03Å; I310-Q313 WeakPolarHBondContact O-CB 3.42Å; I310-Q313 PolarHBondContact O-N 3.28Å; I310-D314 WeakPolarHBondContact CG2-OD2 3.4Å; I310-D314 PolarHBondContact O-N 2.94Å
311S97.2Very high94Very high3 Ų340.3 Ų40.32%0.02123%0.229CC..Hα-helixtrans-62.1-31176.21800000113.6M191 R307 T308 V309 K315M191-S311 PolarHBondContact N-OG 3.15Å; M191-S311 PolarHBondContact O-OG 3.07Å; R307-S311 VanDerWaalsContact O-CB 3.25Å; R307-S311 WeakPolarHBondContact O-CB 3.37Å; R307-S311 PolarHBondContact O-N 3.32Å; T308-S311 PolarHBondContact O-N 3.42Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 2.91Å; S311-K315 WeakPolarHBondContact O-CB 3.25Å; S311-K315 WeakPolarHBondContact O-CG 3.38Å; S311-K315 PolarHBondContact O-N 3.21Å
312L97.3Very high92Very high0 Ų048.5 Ų48.50%027%0.271CS..Hα-helixtrans-70.1-38.9173.9-79.1166.5000111.4M191 L196 V200 V203 A204 T308 V309 I310 G316 H317 L318M191-L312 HydrophobicContact CE-CD2 3.8Å; M191-L312 HydrophobicContact CE-CG 4.32Å; L196-L312 HydrophobicContact CD1-CD2 3.6Å; V200-L312 HydrophobicContact CG1-CD1 4.06Å; V200-L312 HydrophobicContact CG1-CD2 3.91Å; V200-L312 HydrophobicContact CG1-CG 4.01Å; V203-L312 HydrophobicContact CG1-CD1 4.32Å; A204-L312 HydrophobicContact CB-CD1 4.02Å; A204-L312 HydrophobicContact CB-CD2 4.1Å; T308-L312 HydrophobicContact CG2-CD1 4.29Å; T308-L312 WeakPolarHBondContact O-CG 3.43Å; T308-L312 PolarHBondContact O-N 2.95Å; V309-L312 WeakPolarHBondContact O-CB 3.19Å; V309-L312 PolarHBondContact O-N 3.04Å; V309-L312 VanDerWaalsContact O-N 3.11Å; I310-L312 VanDerWaalsContact C-N 3.26Å; I310-L312 PolarHBondContact O-N 3.03Å; L312-G316 PolarHBondContact O-N 3.2Å; L312-H317 HydrophobicContact CB-CB 4.32Å; L312-H317 HydrophobicContact CD2-CB 3.49Å; L312-H317 VanDerWaalsContact CD2-CB 3.49Å; L312-H317 WeakPolarHBondContact O-CA 3.16Å; L312-H317 WeakPolarHBondContact O-CB 3.37Å; L312-H317 PolarHBondContact O-N 2.68Å; L312-L318 HydrophobicContact CB-CB 4.42Å; L312-L318 HydrophobicContact CB-CD1 3.69Å; L312-L318 HydrophobicContact CB-CG 3.94Å; L312-L318 HydrophobicContact CD1-CD1 3.86Å; L312-L318 HydrophobicContact CG-CD1 4.38Å; L312-L318 PolarHBondContact O-N 3.4Å
313Q96.4Very high89.8Confident23 Ų2347.7 Ų47.711%0.10728%0.277CS..Hα-helixtrans-66-51175.7-68.9169.7-15.300111.1Y267 V309 I310 K315 G316 L318Y267-Q313 PolarHBondContact OH-NE2 3.24Å; V309-Q313 WeakPolarHBondContact O-CG 3.44Å; V309-Q313 PolarHBondContact O-N 2.78Å; I310-Q313 WeakPolarHBondContact O-CB 3.42Å; I310-Q313 PolarHBondContact O-N 3.28Å; Q313-K315 PolarHBondContact O-N 3.16Å; Q313-G316 PolarHBondContact O-N 3.45Å; Q313-L318 HydrophobicContact CG-CB 4.17Å
314D95.1Very high87.6Confident101 Ų10155.5 Ų55.554%0.5430%0.304SS..Hα-helixtrans-62.6-28-176.7-67.3-22.5000112.6I310 R324I310-D314 WeakPolarHBondContact CG2-OD2 3.4Å; I310-D314 PolarHBondContact O-N 2.94Å; D314-R324 IonicContact OD1-NH2 3.55Å
315K94.6Very high85.4Confident72 Ų7265.5 Ų65.531%0.31334%0.342SS..THydrogen-bonded Turntrans-94.810.2177.1-68.5178.8172.562.10113.7M191 Q193 S311 Q313 H317M191-K315 HydrophobicContact CB-CD 4.32Å; M191-K315 HydrophobicContact CE-CD 4.2Å; M191-K315 WeakPolarHBondContact O-CE 3.41Å; M191-K315 PolarHBondContact O-NZ 3.31Å; Q193-K315 WeakPolarHBondContact O-CE 3.25Å; S311-K315 WeakPolarHBondContact O-CB 3.25Å; S311-K315 WeakPolarHBondContact O-CG 3.38Å; S311-K315 PolarHBondContact O-N 3.21Å; Q313-K315 PolarHBondContact O-N 3.16Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 3.4Å
316G94.3Very high83Confident65 Ų6571 Ų7167%0.6738%0.381SS*.THydrogen-bonded Turntrans72.211175.900000115.4L312 Q313 L318L312-G316 PolarHBondContact O-N 3.2Å; Q313-G316 PolarHBondContact O-N 3.45Å; G316-L318 VanDerWaalsContact C-N 3.34Å
317H94.4Very high80.7Confident45 Ų4570.9 Ų70.921%0.20839%0.389CS..SBendtrans-80.2-17.6177.1-66.2-68.5000112.7P194 R208 L312 K315P194-H317 PolarHBondContact O-NE2 3.31Å; P194-H317 VanDerWaalsContact O-NE2 3.12Å; R208-H317 PolarHBondContact NE-O 3.1Å; R208-H317 VanDerWaalsContact NE-O 3.16Å; R208-H317 PolarHBondContact NH2-O 3.37Å; L312-H317 HydrophobicContact CB-CB 4.32Å; L312-H317 HydrophobicContact CD2-CB 3.49Å; L312-H317 VanDerWaalsContact CD2-CB 3.49Å; L312-H317 WeakPolarHBondContact O-CA 3.16Å; L312-H317 WeakPolarHBondContact O-CB 3.37Å; L312-H317 PolarHBondContact O-N 2.68Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 3.4Å
318L94.1Very high78.4Confident5 Ų574.2 Ų74.23%0.02641%0.413CS..SBendtrans-134.8143.8171.3-68.9174.6000109.2M207 R208 Y267 V309 L312 Q313 G316 A320M207-L318 HydrophobicContact CB-CD1 3.59Å; M207-L318 HydrophobicContact CB-CD2 3.76Å; M207-L318 HydrophobicContact CB-CG 4.36Å; M207-L318 HydrophobicContact CG-CD1 3.77Å; R208-L318 HydrophobicContact CG-CD2 3.51Å; Y267-L318 HydrophobicContact CE1-CB 4.4Å; Y267-L318 HydrophobicContact CE1-CD2 4.49Å; V309-L318 HydrophobicContact CG1-CD1 4.19Å; L312-L318 HydrophobicContact CB-CB 4.42Å; L312-L318 HydrophobicContact CB-CD1 3.69Å; L312-L318 HydrophobicContact CB-CG 3.94Å; L312-L318 HydrophobicContact CD1-CD1 3.86Å; L312-L318 HydrophobicContact CG-CD1 4.38Å; L312-L318 PolarHBondContact O-N 3.4Å; Q313-L318 HydrophobicContact CG-CB 4.17Å; G316-L318 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.04Å
319P89.4Confident77.4Confident97 Ų9777.9 Ų77.963%0.6343%0.433SS*.PPolyproline II helixtrans-61.1134.1171.726.6-33.1000109.2Y267 A321Y267-P319 HydrophobicContact CE1-CG 4.32Å; Y267-P319 PolarHBondContact OH-O 2.97Å; P319-A321 PolarHBondContact O-N 2.63Å
320A78.5Confident76.3Confident76 Ų7682 Ų8263%0.62846%0.456SS*.PPolyproline II helixtrans-61.7132.8176.200000109.8L318L318-A320 PolarHBondContact O-N 3.04Å
321A62.8Low75.2Confident26 Ų2684.3 Ų84.322%0.21547%0.47CS..PPolyproline II helixtrans-71.6135.6173.300000109.6Q266 P319 S323Q266-A321 HydrophobicContact CG-CB 3.82Å; P319-A321 PolarHBondContact O-N 2.63Å; A321-S323 PolarHBondContact O-N 3.34Å
322I54.8Low73.9Confident187 Ų18789.1 Ų89.196%0.95950%0.496SS*.SBendtrans-63.4-0-176.4-65.4166.9000113
323S51.9Low72.4Confident76 Ų7694.7 Ų94.753%0.53153%0.527SS..  trans-142104.8-178.7179.60000111.9A321 R325A321-S323 PolarHBondContact O-N 3.34Å; S323-R325 VanDerWaalsContact C-N 3.3Å; S323-R325 PolarHBondContact O-N 3.1Å; S323-R325 VanDerWaalsContact O-N 3.17Å
324R51.9Low70.8Confident217 Ų21799.5 Ų99.582%0.81956%0.555SS**  trans-80.175.9165-70.1-177.3176.1-172.9-3.9108.5D314D314-R324 IonicContact OD1-NH2 3.55Å
325R51.9Low69.1Low210 Ų21099.4 Ų99.479%0.79256%0.556SS**  trans-76.8129.9161.8-79.9-176.3-179.8-172.20.6108S323 A327S323-R325 VanDerWaalsContact C-N 3.3Å; S323-R325 PolarHBondContact O-N 3.1Å; S323-R325 VanDerWaalsContact O-N 3.17Å; R325-A327 PolarHBondContact O-N 3.38Å
326S48.1Very low67.1Low117 Ų117101.5 Ų101.582%0.81858%0.575SS**  trans-63.4104174.959.50000108.7
327A50.1Low64.8Low45 Ų45104.5 Ų104.537%0.37257%0.567SS.*  trans-117.159.5177.100000109.2R325R325-A327 PolarHBondContact O-N 3.38Å
328L50.3Low62.2Low153 Ų153109.9 Ų109.980%0.80160%0.599SS**  trans-143.70160.6-76.2177.1000107.4E303 Y306E303-L328 HydrophobicContact CB-CD2 4.48Å; E303-L328 HydrophobicContact CG-CD1 4.36Å; E303-L328 HydrophobicContact CG-CD2 4.32Å; Y306-L328 HydrophobicContact CD1-CD1 3.44Å; Y306-L328 VanDerWaalsContact CD1-CD1 3.44Å; Y306-L328 HydrophobicContact CD1-CD2 4.44Å; Y306-L328 HydrophobicContact CD1-CG 3.91Å; Y306-L328 HydrophobicContact CD2-CG 4.48Å; Y306-L328 HydrophobicContact CE1-CD1 3.65Å; Y306-L328 HydrophobicContact CE1-CG 4.12Å; Y306-L328 HydrophobicContact CG-CD1 4.1Å; Y306-L328 HydrophobicContact CG-CD2 4.28Å; Y306-L328 HydrophobicContact CG-CG 4.09Å

Retrieved 328 of 328 residues in 1063.1 ms (Link to these results)

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