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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A077YV01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 439 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
1M62Low93Very high119 Ų11930.6 Ų30.659%0.58614%0.138SC*.  0-172.50-81.5158.7-80.100106.1E3 T48 C129M1-E3 WeakPolarHBondContact CB-OE1 3.47Å; M1-T48 HydrophobicContact SD-CG2 4.13Å; M1-T48 PolarHBondContact SD-OG1 3.44Å; M1-C129 VanDerWaalsContact O-CB 3.25Å; M1-C129 WeakPolarHBondContact O-CB 3.3Å
2R85.5Confident93.1Very high119 Ų11930.5 Ų30.545%0.44914%0.143SC..  trans-132.197.8-178.2-68.8-168.8-174.6-173.712.2108.7C129 Q131 D249R2-C129 WeakPolarHBondContact CA-O 3.4Å; R2-Q131 HydrophobicContact CB-CB 4Å; R2-Q131 HydrophobicContact CB-CG 4.17Å; R2-D249 IonicContact CZ-OD2 3.25Å; R2-D249 IonicContact NH1-OD1 2.9Å; R2-D249 PolarHBondContact NH1-OD1 2.79Å; R2-D249 IonicContact NH1-OD2 2.73Å; R2-D249 PolarHBondContact NH1-OD2 2.83Å
3E95.6Very high93.4Very high0 Ų028.2 Ų28.20%013%0.132CC..EExtended strand (participates in β ladder)trans-91.7147.4-168.2-60.179.1-15600112.7M1 T48 C127 D128 C129 Q131M1-E3 WeakPolarHBondContact CB-OE1 3.47Å; E3-T48 WeakPolarHBondContact CG-O 3.45Å; E3-C127 HydrophobicContact CB-CB 3.97Å; E3-C127 HydrophobicContact CG-CB 4.32Å; E3-D128 PolarHBondContact OE2-N 2.81Å; E3-C129 PolarHBondContact N-O 3.26Å; E3-C129 WeakPolarHBondContact OE2-CA 3.15Å; E3-C129 PolarHBondContact OE2-N 3.14Å; E3-Q131 VanDerWaalsContact O-CB 3.24Å; E3-Q131 WeakPolarHBondContact O-CB 3.37Å; E3-Q131 PolarHBondContact O-N 2.75Å
4I97.4Very high93.7Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-123.1128.1-179.4-58.9170.9000108.8V49 Y50 Q131 G132 Q134 F240 L250I4-V49 HydrophobicContact CD1-CG1 3.9Å; I4-V49 HydrophobicContact CG1-CG1 4.12Å; I4-V49 PolarHBondContact N-O 2.91Å; I4-Y50 HydrophobicContact CB-CD1 4.4Å; I4-Y50 HydrophobicContact CB-CE1 4.01Å; I4-Y50 HydrophobicContact CD1-CE1 4.45Å; I4-Y50 HydrophobicContact CD1-CE2 4.12Å; I4-Y50 HydrophobicContact CG2-CE1 3.82Å; I4-Q131 HydrophobicContact CG1-CB 4.25Å; I4-G132 WeakPolarHBondContact CA-O 3.48Å; I4-Q134 HydrophobicContact CG2-CB 3.87Å; I4-F240 HydrophobicContact CD1-CB 4.39Å; I4-F240 HydrophobicContact CD1-CD2 3.77Å; I4-F240 HydrophobicContact CD1-CE2 4.44Å; I4-F240 HydrophobicContact CD1-CG 4.31Å; I4-L250 HydrophobicContact CD1-CD1 3.98Å; I4-L250 HydrophobicContact CD1-CG 4.22Å; I4-L250 HydrophobicContact CG1-CD1 4.14Å
5I98.3Very high93.8Very high0 Ų029.5 Ų29.50%014%0.138CC..EExtended strand (participates in β ladder)trans-96.5125.2174.2-61.2165.8000108.7L7 R62 V64 E123 A124 L130 G132 F133 Q134I5-L7 HydrophobicContact CG2-CD1 4Å; I5-R62 HydrophobicContact CG1-CB 4.48Å; I5-V64 HydrophobicContact CG2-CG2 4.28Å; I5-E123 HydrophobicContact CD1-CB 3.73Å; I5-E123 HydrophobicContact CG1-CB 4.15Å; I5-E123 HydrophobicContact CG2-CB 4.27Å; I5-A124 HydrophobicContact CD1-CB 4Å; I5-L130 HydrophobicContact CD1-CD1 3.77Å; I5-L130 HydrophobicContact CG1-CD1 4.09Å; I5-G132 PolarHBondContact N-O 3.3Å; I5-G132 VanDerWaalsContact N-O 3.14Å; I5-F133 HydrophobicContact CB-CD1 3.89Å; I5-F133 HydrophobicContact CB-CE1 4.15Å; I5-F133 HydrophobicContact CD1-CD1 4.41Å; I5-F133 HydrophobicContact CD1-CE1 3.8Å; I5-F133 HydrophobicContact CG2-CD1 4.33Å; I5-F133 CarbonylContact O-C 3.54Å; I5-F133 WeakPolarHBondContact O-CA 3.41Å; I5-Q134 PolarHBondContact O-N 3.15Å
6C98.3Very high94Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-95.2122.1177.5-64.90000111.9W21 Y50 R62 S63 V64 Q134C6-W21 HydrophobicContact CB-CH2 4.43Å; C6-W21 HydrophobicContact CB-CZ2 3.66Å; C6-Y50 WeakPolarHBondContact SG-CD1 3.14Å; C6-Y50 WeakPolarHBondContact SG-CE1 3.35Å; C6-R62 PolarHBondContact N-O 3.3Å; C6-S63 CarbonylContact O-C 3.03Å; C6-S63 WeakPolarHBondContact O-CA 3.44Å; C6-V64 PolarHBondContact O-N 2.61Å; C6-Q134 CarbonylContact C-O 3.51Å; C6-Q134 VanDerWaalsContact CA-O 3.29Å; C6-Q134 WeakPolarHBondContact CA-O 3.29Å
7L98.7Very high94.2Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-102.3126.6172.7-6884000109.6I5 I9 V64 V120 F133 Q134 V135 L136 I151 L155I5-L7 HydrophobicContact CG2-CD1 4Å; L7-I9 HydrophobicContact CB-CD1 4.19Å; L7-I9 HydrophobicContact CB-CG1 4.28Å; L7-V64 CarbonylContact C-O 3.51Å; L7-V64 WeakPolarHBondContact CA-O 3.48Å; L7-V64 HydrophobicContact CG-CB 4.25Å; L7-V120 HydrophobicContact CD2-CG2 3.88Å; L7-F133 HydrophobicContact CD1-CB 4.14Å; L7-F133 HydrophobicContact CD1-CD1 3.75Å; L7-F133 HydrophobicContact CD1-CG 4.38Å; L7-Q134 PolarHBondContact N-O 2.95Å; L7-V135 HydrophobicContact CB-CG2 4.36Å; L7-L136 WeakPolarHBondContact O-CB 3.49Å; L7-L136 PolarHBondContact O-N 3.42Å; L7-I151 HydrophobicContact CD2-CG2 3.53Å; L7-L155 HydrophobicContact CD1-CD1 4.33Å; L7-L155 HydrophobicContact CD2-CD1 4.19Å
8Q98.4Very high94.3Very high0 Ų025.9 Ų25.90%013%0.125CC..EExtended strand (participates in β ladder)trans-113.4114.3178.5-64.3175.8-100108.7N14 G17 V64 L65 V66 L136Q8-N14 WeakPolarHBondContact CB-OD1 3.33Å; Q8-N14 PolarHBondContact O-OD1 3.11Å; Q8-G17 VanDerWaalsContact CD-CA 3.46Å; Q8-G17 PolarHBondContact NE2-O 2.84Å; Q8-V64 PolarHBondContact N-O 2.99Å; Q8-L65 HydrophobicContact CB-CG 4.4Å; Q8-V66 PolarHBondContact O-N 3.49Å; Q8-L136 HydrophobicContact CG-CB 4.37Å; Q8-L136 HydrophobicContact CG-CD1 3.84Å
9I98Very high94.4Very high0 Ų030.2 Ų30.20%014%0.139CC..EExtended strand (participates in β ladder)trans-125.1121-164.6-48.9174.9000110.4L7 V66 V135 L136 H137 T143 L147 I151L7-I9 HydrophobicContact CB-CD1 4.19Å; L7-I9 HydrophobicContact CB-CG1 4.28Å; I9-V66 WeakPolarHBondContact CA-O 3.42Å; I9-V66 HydrophobicContact CG1-CB 4.47Å; I9-V135 HydrophobicContact CD1-CG1 3.61Å; I9-V135 HydrophobicContact CG1-CG1 4.46Å; I9-L136 PolarHBondContact N-O 3.1Å; I9-H137 HydrophobicContact CB-CB 4.32Å; I9-T143 HydrophobicContact CG2-CG2 4.35Å; I9-L147 HydrophobicContact CG2-CG 4.41Å; I9-I151 HydrophobicContact CD1-CB 4.38Å; I9-I151 HydrophobicContact CD1-CD1 3.73Å; I9-I151 HydrophobicContact CD1-CG2 4.42Å
10G96.1Very high94.5Very high3 Ų328.7 Ų28.73%0.03113%0.132CC..Hα-helixtrans72.2174.9-177.500000113.4C12 G13 N14 V66 D67G10-C12 VanDerWaalsContact C-N 3.34Å; G10-C12 PolarHBondContact O-N 2.91Å; G10-G13 PolarHBondContact O-N 3.39Å; G10-G13 VanDerWaalsContact O-N 3.12Å; G10-N14 WeakPolarHBondContact O-CB 3.24Å; G10-N14 PolarHBondContact O-N 3.28Å; G10-N14 PolarHBondContact O-ND2 3.29Å; G10-V66 PolarHBondContact N-O 2.75Å; G10-D67 VanDerWaalsContact CA-OD2 3.23Å; G10-D67 WeakPolarHBondContact CA-OD2 3.3Å
11Q94.5Very high94.6Very high96 Ų9627.3 Ų27.345%0.44913%0.126SC..Hα-helixtrans-53.1-47.7-173.7-179.9174.1-45.600113.3Q15 D67 P72Q11-Q15 VanDerWaalsContact CG-NE2 3.27Å; Q11-Q15 WeakPolarHBondContact O-CB 3.43Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.23Å; Q11-Q15 PolarHBondContact O-N 3.36Å; Q11-D67 PolarHBondContact N-OD2 3.12Å; Q11-P72 HydrophobicContact CB-CG 4.07Å; Q11-P72 HydrophobicContact CG-CG 4.24Å
12C94.2Very high96.2Very high29 Ų2924.4 Ų24.420%0.19611%0.111CC..Hα-helixtrans-61.9-49.5178.1-177.80000111.8G10 N14 Q15 V16G10-C12 VanDerWaalsContact C-N 3.34Å; G10-C12 PolarHBondContact O-N 2.91Å; C12-N14 VanDerWaalsContact C-N 3.33Å; C12-N14 PolarHBondContact O-N 3.46Å; C12-Q15 PolarHBondContact O-N 3.41Å; C12-V16 WeakPolarHBondContact O-CB 3.48Å; C12-V16 WeakPolarHBondContact O-CG2 3.48Å; C12-V16 PolarHBondContact O-N 2.71Å
13G96.9Very high96.7Very high1 Ų119.5 Ų19.51%0.019%0.094CC..Hα-helixtrans-60.3-43-178.500000112.4G10 G17 L136G10-G13 PolarHBondContact O-N 3.39Å; G10-G13 VanDerWaalsContact O-N 3.12Å; G13-G17 WeakPolarHBondContact O-CA 3.5Å; G13-G17 PolarHBondContact O-N 2.77Å; G13-L136 WeakPolarHBondContact CA-O 3.39Å
14N97.4Very high96.7Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-67.1-40.9177.9-76.4-48.7000113Q8 G10 C12 S18 V66 I76Q8-N14 WeakPolarHBondContact CB-OD1 3.33Å; Q8-N14 PolarHBondContact O-OD1 3.11Å; G10-N14 WeakPolarHBondContact O-CB 3.24Å; G10-N14 PolarHBondContact O-N 3.28Å; G10-N14 PolarHBondContact O-ND2 3.29Å; C12-N14 VanDerWaalsContact C-N 3.33Å; C12-N14 PolarHBondContact O-N 3.46Å; N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.08Å; N14-S18 PolarHBondContact O-OG 3.2Å; N14-V66 PolarHBondContact ND2-O 3.01Å; N14-I76 HydrophobicContact CB-CD1 3.74Å
15Q95.7Very high96.6Very high76 Ų7619.5 Ų19.536%0.3559%0.094SC..Hα-helixtrans-70.3-46178.6-72.4179.317.600112.7Q11 C12 G17 R19 N226Q11-Q15 VanDerWaalsContact CG-NE2 3.27Å; Q11-Q15 WeakPolarHBondContact O-CB 3.43Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.23Å; Q11-Q15 PolarHBondContact O-N 3.36Å; C12-Q15 PolarHBondContact O-N 3.41Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-R19 PolarHBondContact O-N 3.37Å; Q15-N226 PolarHBondContact OE1-ND2 3.14Å
16V96.8Very high96.4Very high3 Ų322.5 Ų22.52%0.01811%0.109CC..Hα-helixtrans-62.3-46.7174170.70000109.9C12 S18 R19 F20 L136 N226 I229 M233C12-V16 WeakPolarHBondContact O-CB 3.48Å; C12-V16 WeakPolarHBondContact O-CG2 3.48Å; C12-V16 PolarHBondContact O-N 2.71Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.79Å; V16-R19 WeakPolarHBondContact O-CB 3.22Å; V16-R19 PolarHBondContact O-N 3.06Å; V16-R19 VanDerWaalsContact O-N 3.09Å; V16-F20 PolarHBondContact O-N 3.28Å; V16-L136 HydrophobicContact CG1-CD2 4.21Å; V16-N226 HydrophobicContact CG2-CB 4.15Å; V16-N226 VanDerWaalsContact CG2-OD1 3.3Å; V16-N226 WeakPolarHBondContact CG2-OD1 3.39Å; V16-I229 HydrophobicContact CG1-CB 4.01Å; V16-I229 HydrophobicContact CG1-CG2 3.42Å; V16-I229 VanDerWaalsContact CG1-CG2 3.42Å; V16-I229 HydrophobicContact CG2-CB 4.35Å; V16-I229 HydrophobicContact CG2-CD1 3.92Å; V16-I229 HydrophobicContact CG2-CG2 4.26Å; V16-M233 HydrophobicContact CG1-SD 3.54Å; V16-M233 VanDerWaalsContact CG1-SD 3.54Å
17G97.1Very high96.1Very high0 Ų022.7 Ų22.70%011%0.11CC..Hα-helixtrans-59.9-39.9-179.100000113.8Q8 G13 Q15 R19 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.46Å; Q8-G17 PolarHBondContact NE2-O 2.84Å; G13-G17 WeakPolarHBondContact O-CA 3.5Å; G13-G17 PolarHBondContact O-N 2.77Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 3.36Å; G17-F20 WeakPolarHBondContact O-CB 3.29Å; G17-F20 PolarHBondContact O-N 3.48Å; G17-W21 PolarHBondContact O-N 3.34Å
18S96.2Very high95.9Very high21 Ų2122.8 Ų22.815%0.14711%0.111CC..Hα-helixtrans-59.6-43.4173.4-64.30000112N14 V16 W21 E22 I76 L81N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.08Å; N14-S18 PolarHBondContact O-OG 3.2Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 2.79Å; S18-W21 PolarHBondContact O-N 3.21Å; S18-E22 PolarHBondContact O-N 3.24Å; S18-I76 WeakPolarHBondContact OG-CD1 3.47Å; S18-I76 VanDerWaalsContact OG-CG1 3.3Å; S18-I76 WeakPolarHBondContact OG-CG1 3.49Å; S18-L81 WeakPolarHBondContact O-CD1 3.33Å
19R95.7Very high95.7Very high107 Ų10724 Ų2440%0.40412%0.12SC..Hα-helixtrans-68.7-35.7176.6-66.6-58.2-170.9178.21.2112.4Q15 V16 G17 E22 L23Q15-R19 PolarHBondContact O-N 3.37Å; V16-R19 WeakPolarHBondContact O-CB 3.22Å; V16-R19 PolarHBondContact O-N 3.06Å; V16-R19 VanDerWaalsContact O-N 3.09Å; G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 3.36Å; R19-E22 WeakPolarHBondContact CD-OE2 3.47Å; R19-E22 IonicContact CZ-OE2 2.82Å; R19-E22 IonicContact NE-OE2 3.13Å; R19-E22 IonicContact NH1-OE1 2.73Å; R19-E22 IonicContact NH1-OE2 3.14Å; R19-E22 PolarHBondContact NH1-OE2 2.81Å; R19-E22 PolarHBondContact O-N 3.19Å; R19-L23 WeakPolarHBondContact O-CG 3.26Å; R19-L23 PolarHBondContact O-N 2.83Å; R19-L23 VanDerWaalsContact O-N 3.09Å
20F97.2Very high95.6Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-62-48174.4173.1-110000111.4V16 G17 E22 L23 L24 Y50 M233V16-F20 PolarHBondContact O-N 3.28Å; G17-F20 WeakPolarHBondContact O-CB 3.29Å; G17-F20 PolarHBondContact O-N 3.48Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.77Å; F20-L23 WeakPolarHBondContact O-CB 3.44Å; F20-L23 PolarHBondContact O-N 3.48Å; F20-L23 VanDerWaalsContact O-N 3.13Å; F20-L24 HydrophobicContact CD1-CD1 4.37Å; F20-L24 HydrophobicContact CD1-CD2 4.35Å; F20-L24 HydrophobicContact CD2-CD1 3.62Å; F20-L24 HydrophobicContact CE1-CD1 4.06Å; F20-L24 HydrophobicContact CE1-CD2 3.61Å; F20-L24 HydrophobicContact CE1-CG 4.48Å; F20-L24 HydrophobicContact CE2-CD1 3.26Å; F20-L24 HydrophobicContact CE2-CD2 4.22Å; F20-L24 HydrophobicContact CE2-CG 4.38Å; F20-L24 HydrophobicContact CG-CD1 4.19Å; F20-L24 HydrophobicContact CZ-CD1 3.51Å; F20-L24 HydrophobicContact CZ-CD2 3.54Å; F20-L24 HydrophobicContact CZ-CG 4.18Å; F20-L24 WeakPolarHBondContact O-CD1 2.95Å; F20-L24 PolarHBondContact O-N 3.41Å; F20-Y50 HydrophobicContact CE1-CE1 4.36Å; F20-Y50 HydrophobicContact CZ-CE1 4.31Å; F20-M233 HydrophobicContact CB-CE 3.74Å; F20-M233 HydrophobicContact CB-SD 4.5Å; F20-M233 HydrophobicContact CD1-CE 3.89Å; F20-M233 HydrophobicContact CD2-CB 3.72Å; F20-M233 HydrophobicContact CD2-CE 3.55Å; F20-M233 HydrophobicContact CE1-CE 4.34Å; F20-M233 HydrophobicContact CE2-CB 3.87Å; F20-M233 HydrophobicContact CE2-CE 4.01Å; F20-M233 HydrophobicContact CG-CE 3.45Å; F20-M233 VanDerWaalsContact CG-CE 3.45Å; F20-M233 HydrophobicContact CZ-CE 4.39Å
21W97.4Very high95.6Very high0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-63.3-38.2176.9-72.2121.8000113.2C6 G17 S18 L23 L24 C25 Y50 F51 P61 L81 L84 F85C6-W21 HydrophobicContact CB-CH2 4.43Å; C6-W21 HydrophobicContact CB-CZ2 3.66Å; G17-W21 PolarHBondContact O-N 3.34Å; S18-W21 PolarHBondContact O-N 3.21Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 3.1Å; W21-L24 HydrophobicContact CE3-CB 4.41Å; W21-L24 HydrophobicContact CE3-CD2 3.98Å; W21-L24 HydrophobicContact CZ3-CD2 3.8Å; W21-L24 PolarHBondContact O-N 3.25Å; W21-C25 WeakPolarHBondContact O-CB 3.37Å; W21-C25 PolarHBondContact O-N 3.25Å; W21-C25 PolarHBondContact O-SG 2.9Å; W21-Y50 AromaticContact CH2-CD1 3.9Å; W21-Y50 HydrophobicContact CH2-CD1 3.9Å; W21-Y50 HydrophobicContact CH2-CG 4.38Å; W21-Y50 HydrophobicContact CZ3-CD1 4.38Å; W21-Y50 HydrophobicContact CZ3-CG 4.49Å; W21-F51 HydrophobicContact CE3-CE1 4.28Å; W21-F51 HydrophobicContact CE3-CZ 4.06Å; W21-F51 HydrophobicContact CZ3-CE1 4.17Å; W21-F51 HydrophobicContact CZ3-CE2 4.34Å; W21-F51 AromaticContact CZ3-CZ 3.95Å; W21-F51 HydrophobicContact CZ3-CZ 3.95Å; W21-P61 HydrophobicContact CD2-CB 4.01Å; W21-P61 HydrophobicContact CD2-CG 4.29Å; W21-P61 HydrophobicContact CE3-CB 3.91Å; W21-P61 HydrophobicContact CE3-CG 4.12Å; W21-P61 HydrophobicContact CH2-CB 3.64Å; W21-P61 HydrophobicContact CZ2-CB 3.72Å; W21-P61 HydrophobicContact CZ3-CB 3.72Å; W21-P61 HydrophobicContact CZ3-CG 4.31Å; W21-L81 HydrophobicContact CB-CD1 4.3Å; W21-L84 HydrophobicContact CB-CD2 4.45Å; W21-F85 HydrophobicContact CB-CE1 4.45Å; W21-F85 HydrophobicContact CB-CZ 3.98Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.32Å; W21-F85 HydrophobicContact CD2-CE1 4.22Å; W21-F85 AromaticContact CG-CE1 3.79Å; W21-F85 HydrophobicContact CG-CE1 3.79Å; W21-F85 AromaticContact CG-CZ 3.73Å; W21-F85 HydrophobicContact CG-CZ 3.73Å; W21-F85 AromaticContact NE1-CE1 3.52Å; W21-F85 AromaticContact NE1-CZ 3.98Å
22E95.3Very high95.6Very high58 Ų5826.9 Ų26.927%0.27113%0.132SC..Hα-helixtrans-56.6-45.3172.1-169.4177.1-168.700111.4S18 R19 F20 N26 L81S18-E22 PolarHBondContact O-N 3.24Å; R19-E22 WeakPolarHBondContact CD-OE2 3.47Å; R19-E22 IonicContact CZ-OE2 2.82Å; R19-E22 IonicContact NE-OE2 3.13Å; R19-E22 IonicContact NH1-OE1 2.73Å; R19-E22 IonicContact NH1-OE2 3.14Å; R19-E22 PolarHBondContact NH1-OE2 2.81Å; R19-E22 PolarHBondContact O-N 3.19Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.77Å; E22-N26 VanDerWaalsContact O-CG 3.3Å; E22-N26 PolarHBondContact O-N 2.86Å; E22-N26 VanDerWaalsContact O-N 3.08Å; E22-N26 PolarHBondContact O-ND2 3.49Å; E22-L81 HydrophobicContact CB-CD1 4.16Å
23L94.9Very high95.5Very high16 Ų1628.9 Ų28.98%0.08414%0.141CC..Hα-helixtrans-65.8-44.9177.6-69.9176.8000112.3R19 F20 W21 C25 N26 E27 S230 I231R19-L23 WeakPolarHBondContact O-CG 3.26Å; R19-L23 PolarHBondContact O-N 2.83Å; R19-L23 VanDerWaalsContact O-N 3.09Å; F20-L23 WeakPolarHBondContact O-CB 3.44Å; F20-L23 PolarHBondContact O-N 3.48Å; F20-L23 VanDerWaalsContact O-N 3.13Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 3.1Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.42Å; L23-N26 PolarHBondContact O-N 3.14Å; L23-E27 VanDerWaalsContact O-CG 3.27Å; L23-E27 WeakPolarHBondContact O-CG 3.32Å; L23-E27 PolarHBondContact O-N 3.31Å; L23-S230 WeakPolarHBondContact CD1-O 3.09Å; L23-S230 VanDerWaalsContact CD1-OG 3.29Å; L23-S230 WeakPolarHBondContact CD1-OG 3.41Å; L23-I231 HydrophobicContact CD1-CB 4.28Å
24L95.7Very high95.4Very high0 Ų028.8 Ų28.80%014%0.14CC..Hα-helixtrans-61.4-43.2177.7-94.160.8000111.4F20 W21 N26 E27 H28 Y50 F51F20-L24 HydrophobicContact CD1-CD1 4.37Å; F20-L24 HydrophobicContact CD1-CD2 4.35Å; F20-L24 HydrophobicContact CD2-CD1 3.62Å; F20-L24 HydrophobicContact CE1-CD1 4.06Å; F20-L24 HydrophobicContact CE1-CD2 3.61Å; F20-L24 HydrophobicContact CE1-CG 4.48Å; F20-L24 HydrophobicContact CE2-CD1 3.26Å; F20-L24 HydrophobicContact CE2-CD2 4.22Å; F20-L24 HydrophobicContact CE2-CG 4.38Å; F20-L24 HydrophobicContact CG-CD1 4.19Å; F20-L24 HydrophobicContact CZ-CD1 3.51Å; F20-L24 HydrophobicContact CZ-CD2 3.54Å; F20-L24 HydrophobicContact CZ-CG 4.18Å; F20-L24 WeakPolarHBondContact O-CD1 2.95Å; F20-L24 PolarHBondContact O-N 3.41Å; W21-L24 HydrophobicContact CE3-CB 4.41Å; W21-L24 HydrophobicContact CE3-CD2 3.98Å; W21-L24 HydrophobicContact CZ3-CD2 3.8Å; W21-L24 PolarHBondContact O-N 3.25Å; L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 3.38Å; L24-E27 PolarHBondContact O-N 3.29Å; L24-H28 PolarHBondContact O-CD2 2.81Å; L24-H28 PolarHBondContact O-N 3.05Å; L24-Y50 HydrophobicContact CD2-CD1 4.35Å; L24-Y50 HydrophobicContact CD2-CD2 4.22Å; L24-Y50 HydrophobicContact CD2-CG 4.01Å; L24-F51 HydrophobicContact CB-CE2 4.46Å; L24-F51 HydrophobicContact CB-CZ 4.26Å
25C95.7Very high95.3Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-59-46.5175.9-69.10000111.1W21 L23 E27 H28 S29 I30 L84W21-C25 WeakPolarHBondContact O-CB 3.37Å; W21-C25 PolarHBondContact O-N 3.25Å; W21-C25 PolarHBondContact O-SG 2.9Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 3.42Å; C25-E27 VanDerWaalsContact C-N 3.35Å; C25-E27 PolarHBondContact O-N 2.97Å; C25-H28 CarbonylContact O-C 3.53Å; C25-H28 PolarHBondContact O-N 3.26Å; C25-S29 WeakPolarHBondContact O-CA 3.47Å; C25-S29 PolarHBondContact O-N 2.92Å; C25-I30 HydrophobicContact CB-CB 4.15Å; C25-I30 WeakPolarHBondContact CB-O 3.43Å; C25-I30 PolarHBondContact O-N 2.94Å; C25-L84 WeakPolarHBondContact SG-CD2 3.31Å
26N93.5Very high95.2Very high62 Ų6230 Ų3033%0.33215%0.152SC..Hα-helixtrans-62-41.3177.4-73.6-46.6000112.6E22 L23 L24 H28 S29 L360E22-N26 VanDerWaalsContact O-CG 3.3Å; E22-N26 PolarHBondContact O-N 2.86Å; E22-N26 VanDerWaalsContact O-N 3.08Å; E22-N26 PolarHBondContact O-ND2 3.49Å; L23-N26 PolarHBondContact O-N 3.14Å; L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 3.38Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 2.95Å; N26-S29 PolarHBondContact O-N 2.66Å; N26-L360 HydrophobicContact CB-CD2 4.49Å
27E93.5Very high94.9Very high5 Ų535 Ų352%0.02318%0.176CC..Hα-helixtrans-66.3-36.4-179.9-72.9174.9-171.400112.8L23 L24 C25 Q43 S234 R241 F242 R319 I357L23-E27 VanDerWaalsContact O-CG 3.27Å; L23-E27 WeakPolarHBondContact O-CG 3.32Å; L23-E27 PolarHBondContact O-N 3.31Å; L24-E27 PolarHBondContact O-N 3.29Å; C25-E27 VanDerWaalsContact C-N 3.35Å; C25-E27 PolarHBondContact O-N 2.97Å; E27-Q43 WeakPolarHBondContact O-CG 3.49Å; E27-Q43 PolarHBondContact O-NE2 3.08Å; E27-S234 PolarHBondContact OE1-OG 3.44Å; E27-S234 PolarHBondContact OE2-OG 3.25Å; E27-R241 IonicContact OE2-CZ 2.64Å; E27-R241 IonicContact OE2-NH1 3.84Å; E27-R241 PolarHBondContact OE2-NH1 2.78Å; E27-R241 IonicContact OE2-NH2 2.69Å; E27-R241 PolarHBondContact OE2-NH2 3.31Å; E27-F242 HydrophobicContact CB-CZ 4.35Å; E27-R319 IonicContact OE1-CZ 3.68Å; E27-R319 VanDerWaalsContact OE1-CZ 3.24Å; E27-R319 IonicContact OE1-NH1 3.51Å; E27-R319 PolarHBondContact OE1-NH1 3Å; E27-R319 IonicContact OE1-NH2 3.23Å; E27-R319 PolarHBondContact OE1-NH2 3.3Å; E27-R319 IonicContact OE2-CZ 2.78Å; E27-R319 IonicContact OE2-NH1 2.78Å; E27-R319 IonicContact OE2-NH2 3.24Å; E27-R319 PolarHBondContact OE2-NH2 3.11Å; E27-I357 HydrophobicContact CB-CG2 4.49Å
28H94.4Very high94.4Very high2 Ų240.1 Ų40.11%0.00922%0.218CC..Hα-helixtrans-94.85.3179.4-72-75.1000113.7L24 C25 N26 I30 L36 Q43 L47 R241 F242L24-H28 PolarHBondContact O-CD2 2.81Å; L24-H28 PolarHBondContact O-N 3.05Å; C25-H28 CarbonylContact O-C 3.53Å; C25-H28 PolarHBondContact O-N 3.26Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 2.95Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 HydrophobicContact CB-CD1 3.67Å; H28-I30 HydrophobicContact CB-CG1 3.8Å; H28-I30 PolarHBondContact O-N 2.81Å; H28-L36 WeakPolarHBondContact O-CD1 3.46Å; H28-Q43 PolarHBondContact ND1-O 3.42Å; H28-L47 HydrophobicContact CB-CD2 3.66Å; H28-L47 WeakPolarHBondContact ND1-CD2 3.37Å; H28-R241 PolarHBondContact NE2-NH1 3.34Å; H28-R241 VanDerWaalsContact NE2-NH1 3.17Å; H28-F242 AromaticContact CE1-CE1 3.45Å; H28-F242 VanDerWaalsContact CE1-CE1 3.45Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.4Å; H28-F242 AromaticContact CE1-CZ 3.57Å; H28-F242 AromaticContact ND1-CE1 3.89Å; H28-F242 AromaticContact NE2-CZ 3.75Å
29S94.6Very high94.1Very high26 Ų2639.6 Ų39.618%0.18222%0.215CC..THydrogen-bonded Turntrans55.942.9-176.3-61.80000113.2C25 N26 M37 Q43C25-S29 WeakPolarHBondContact O-CA 3.47Å; C25-S29 PolarHBondContact O-N 2.92Å; N26-S29 PolarHBondContact O-N 2.66Å; S29-M37 WeakPolarHBondContact O-CB 3.46Å; S29-M37 PolarHBondContact O-N 3.3Å; S29-Q43 VanDerWaalsContact OG-CD 3.3Å; S29-Q43 PolarHBondContact OG-NE2 2.86Å; S29-Q43 PolarHBondContact OG-OE1 3.44Å
30I95.7Very high93.8Very high6 Ų638.2 Ų38.23%0.03122%0.219CC..BIsolated β-bridgetrans-99.7132.4177.5-51.9169.8000108.6C25 H28 L36 L47 F51 L59C25-I30 HydrophobicContact CB-CB 4.15Å; C25-I30 WeakPolarHBondContact CB-O 3.43Å; C25-I30 PolarHBondContact O-N 2.94Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 HydrophobicContact CB-CD1 3.67Å; H28-I30 HydrophobicContact CB-CG1 3.8Å; H28-I30 PolarHBondContact O-N 2.81Å; I30-L36 HydrophobicContact CG1-CD1 4.12Å; I30-L47 HydrophobicContact CD1-CD2 4.08Å; I30-F51 HydrophobicContact CD1-CD1 4.17Å; I30-F51 HydrophobicContact CD1-CD2 4.02Å; I30-F51 HydrophobicContact CD1-CE1 3.82Å; I30-F51 HydrophobicContact CD1-CE2 3.67Å; I30-F51 HydrophobicContact CD1-CG 4.27Å; I30-F51 HydrophobicContact CD1-CZ 3.56Å; I30-L59 HydrophobicContact CD1-CB 4.5Å; I30-L59 HydrophobicContact CD1-CD1 3.69Å; I30-L59 HydrophobicContact CG1-CD1 3.81Å; I30-L59 HydrophobicContact CG2-CB 4.44Å; I30-L59 HydrophobicContact CG2-CD1 4.37Å
31Q95.1Very high93.5Very high83 Ų8344.5 Ų44.539%0.38825%0.248SC..  trans-76.7164.8173.4-60.4-165.79.100111.5D33 G34 S35 M37Q31-D33 WeakPolarHBondContact CB-OD1 3.37Å; Q31-D33 PolarHBondContact O-N 3.24Å; Q31-G34 PolarHBondContact O-N 3.23Å; Q31-S35 WeakPolarHBondContact CB-OG 3.36Å; Q31-S35 PolarHBondContact N-O 3.4Å; Q31-S35 PolarHBondContact OE1-OG 3.4Å; Q31-M37 HydrophobicContact CG-CG 3.39Å; Q31-M37 HydrophobicContact CG-SD 3.63Å
32H94.5Very high93.1Very high69 Ų6946.9 Ų46.932%0.31926%0.261SS..THydrogen-bonded Turntrans-65.9-9.7179.9-62.3176.3000114.7P80 L81 L84H32-P80 WeakPolarHBondContact CB-O 3.37Å; H32-L81 HydrophobicContact CB-CD2 4.21Å; H32-L84 WeakPolarHBondContact O-CA 3.26Å; H32-L84 WeakPolarHBondContact O-CB 3.45Å; H32-L84 PolarHBondContact O-N 2.96Å
33D93Very high92.9Very high71 Ų7145.4 Ų45.438%0.3825%0.254SS..THydrogen-bonded Turntrans-94.4-0.3171.169.2-6.4000113.2Q31 S35 R58Q31-D33 WeakPolarHBondContact CB-OD1 3.37Å; Q31-D33 PolarHBondContact O-N 3.24Å; D33-S35 VanDerWaalsContact OD1-CB 3.26Å; D33-S35 WeakPolarHBondContact OD1-CB 3.37Å; D33-S35 PolarHBondContact OD1-N 3.48Å; D33-S35 PolarHBondContact OD1-OG 3.07Å; D33-R58 WeakPolarHBondContact O-CD 3.3Å; D33-R58 PolarHBondContact O-NE 3.32Å
34G94.8Very high92.7Very high0 Ų048.6 Ų48.60%027%0.267CS..SBendtrans883.1-177.400000114.5Q31 L59Q31-G34 PolarHBondContact O-N 3.23Å; G34-L59 VanDerWaalsContact CA-O 3.26Å; G34-L59 WeakPolarHBondContact CA-O 3.47Å; G34-L59 PolarHBondContact O-N 3.23Å
35S94.9Very high92.4Very high39 Ų3952.8 Ų52.827%0.27329%0.287SS..  trans-76.5137.7175.764.20000111.8Q31 D33Q31-S35 WeakPolarHBondContact CB-OG 3.36Å; Q31-S35 PolarHBondContact N-O 3.4Å; Q31-S35 PolarHBondContact OE1-OG 3.4Å; D33-S35 VanDerWaalsContact OD1-CB 3.26Å; D33-S35 WeakPolarHBondContact OD1-CB 3.37Å; D33-S35 PolarHBondContact OD1-N 3.48Å; D33-S35 PolarHBondContact OD1-OG 3.07Å
36L92.9Very high92.2Very high63 Ų6355.8 Ų55.833%0.3330%0.302SS..BIsolated β-bridgetrans-81.4126.9176.8-169.971.4000110.3H28 I30 A39 K44 L47 L59H28-L36 WeakPolarHBondContact O-CD1 3.46Å; I30-L36 HydrophobicContact CG1-CD1 4.12Å; L36-A39 HydrophobicContact CD1-CB 3.93Å; L36-A39 HydrophobicContact CD2-CB 4.39Å; L36-A39 HydrophobicContact CG-CB 4.12Å; L36-K44 HydrophobicContact CD2-CD 4.38Å; L36-K44 HydrophobicContact CD2-CG 4.07Å; L36-L47 HydrophobicContact CD1-CD1 4.49Å; L36-L59 HydrophobicContact CB-CD1 4.48Å; L36-L59 HydrophobicContact CD1-CD1 4.18Å
37M90.7Very high92.1Very high107 Ų10753.2 Ų53.253%0.52729%0.288SS..  trans-81.1-166.2174.7-59.7-17166.200111.5S29 Q31 A39S29-M37 WeakPolarHBondContact O-CB 3.46Å; S29-M37 PolarHBondContact O-N 3.3Å; Q31-M37 HydrophobicContact CG-CG 3.39Å; Q31-M37 HydrophobicContact CG-SD 3.63Å; M37-A39 PolarHBondContact O-N 3.4Å
38A87.7Confident92.1Very high107 Ų10754.3 Ų54.388%0.88430%0.295SS*.SBendtrans-66.766.1171.300000111.9
39A88.5Confident92.1Very high10 Ų1054.3 Ų54.38%0.08330%0.295CS..  trans-73.1139.9178.300000110.4L36 M37 Q43 K44L36-A39 HydrophobicContact CD1-CB 3.93Å; L36-A39 HydrophobicContact CD2-CB 4.39Å; L36-A39 HydrophobicContact CG-CB 4.12Å; M37-A39 PolarHBondContact O-N 3.4Å; A39-Q43 HydrophobicContact CB-CB 4Å; A39-K44 HydrophobicContact CB-CG 3.94Å; A39-K44 VanDerWaalsContact O-CE 3.3Å; A39-K44 WeakPolarHBondContact O-CE 3.39Å
40T90.9Very high92.2Very high79 Ų7953.1 Ų53.149%0.48529%0.286SS..  trans-66.8160.6167.564.80000110.5L42 Q43 K44T40-L42 PolarHBondContact O-N 2.6Å; T40-Q43 WeakPolarHBondContact O-CB 3.36Å; T40-Q43 PolarHBondContact O-N 3.19Å; T40-Q43 VanDerWaalsContact OG1-CG 3.31Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.46Å; T40-Q43 PolarHBondContact OG1-N 3.29Å; T40-Q43 PolarHBondContact OG1-OE1 2.94Å; T40-K44 PolarHBondContact O-N 2.94Å
41E89.6Confident92.3Very high131 Ų13152.9 Ų52.961%0.61229%0.285SS*.Hα-helixtrans-56-40.9178.3-63.7-53.8111.100112Q43 K44 E45E41-Q43 VanDerWaalsContact C-N 3.28Å; E41-Q43 PolarHBondContact O-N 3.14Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 2.93Å; E41-K44 IonicContact OE1-NZ 3.66Å; E41-K44 PolarHBondContact OE1-NZ 3.33Å; E41-E45 PolarHBondContact O-N 3.46Å
42L88.9Confident92.3Very high50 Ų5050.9 Ų50.926%0.26228%0.277SS..Hα-helixtrans-61.9-33176-176.564.2000113.4T40 K44 E45 F242 P243 S356 I357T40-L42 PolarHBondContact O-N 2.6Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.82Å; L42-E45 WeakPolarHBondContact O-CB 3.35Å; L42-E45 PolarHBondContact O-N 3.46Å; L42-F242 HydrophobicContact CD1-CD1 4.41Å; L42-F242 HydrophobicContact CG-CD1 4.29Å; L42-F242 WeakPolarHBondContact O-CD1 3.39Å; L42-P243 HydrophobicContact CD1-CG 4.07Å; L42-S356 WeakPolarHBondContact CD2-OG 3.32Å; L42-I357 HydrophobicContact CB-CD1 4.33Å; L42-I357 HydrophobicContact CD2-CD1 3.69Å; L42-I357 HydrophobicContact CD2-CG1 3.86Å; L42-I357 HydrophobicContact CG-CD1 3.67Å; L42-I357 HydrophobicContact CG-CG1 4.4Å
43Q91.6Very high92.2Very high27 Ų2752.2 Ų52.213%0.12629%0.285CS..Hα-helixtrans-74.3-20.3177.5-71.5177.8-59.100112.8E27 H28 S29 A39 T40 E41 I357E27-Q43 WeakPolarHBondContact O-CG 3.49Å; E27-Q43 PolarHBondContact O-NE2 3.08Å; H28-Q43 PolarHBondContact ND1-O 3.42Å; S29-Q43 VanDerWaalsContact OG-CD 3.3Å; S29-Q43 PolarHBondContact OG-NE2 2.86Å; S29-Q43 PolarHBondContact OG-OE1 3.44Å; A39-Q43 HydrophobicContact CB-CB 4Å; T40-Q43 WeakPolarHBondContact O-CB 3.36Å; T40-Q43 PolarHBondContact O-N 3.19Å; T40-Q43 VanDerWaalsContact OG1-CG 3.31Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.46Å; T40-Q43 PolarHBondContact OG1-N 3.29Å; T40-Q43 PolarHBondContact OG1-OE1 2.94Å; E41-Q43 VanDerWaalsContact C-N 3.28Å; E41-Q43 PolarHBondContact O-N 3.14Å; Q43-I357 HydrophobicContact CG-CD1 3.64Å; Q43-I357 HydrophobicContact CG-CG1 4.45Å
44K91.6Very high92.2Very high83 Ų8351.8 Ų51.836%0.36128%0.282SS..Hα-helixtrans-85.8-14.3175.8-61.2177.3-169.8160.60113L36 A39 T40 E41 L42 L47L36-K44 HydrophobicContact CD2-CD 4.38Å; L36-K44 HydrophobicContact CD2-CG 4.07Å; A39-K44 HydrophobicContact CB-CG 3.94Å; A39-K44 VanDerWaalsContact O-CE 3.3Å; A39-K44 WeakPolarHBondContact O-CE 3.39Å; T40-K44 PolarHBondContact O-N 2.94Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 2.93Å; E41-K44 IonicContact OE1-NZ 3.66Å; E41-K44 PolarHBondContact OE1-NZ 3.33Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.82Å; K44-L47 HydrophobicContact CB-CD1 4.38Å; K44-L47 WeakPolarHBondContact O-CD1 3.38Å; K44-L47 WeakPolarHBondContact O-CG 3.43Å
45E89.2Confident92Very high88 Ų8861.8 Ų61.841%0.41133%0.329SS..THydrogen-bonded Turntrans-64.3141.9178-70.1-68.7170.300111.2E41 L42 L47 P243E41-E45 PolarHBondContact O-N 3.46Å; L42-E45 WeakPolarHBondContact O-CB 3.35Å; L42-E45 PolarHBondContact O-N 3.46Å; E45-L47 PolarHBondContact O-N 3.18Å; E45-P243 HydrophobicContact CB-CG 4.13Å; E45-P243 HydrophobicContact CG-CG 3.94Å
46M90Very high91.7Very high64 Ų6465.5 Ų65.532%0.31535%0.35SS..THydrogen-bonded Turntrans49.825.6171.3-52.8-68.2-82.800114.9T48 V49M46-T48 PolarHBondContact O-N 3Å; M46-T48 VanDerWaalsContact O-N 3.14Å; M46-V49 HydrophobicContact CB-CG2 3.92Å; M46-V49 HydrophobicContact CE-CG2 4.12Å; M46-V49 WeakPolarHBondContact O-CB 3.43Å; M46-V49 VanDerWaalsContact O-CG2 3.29Å; M46-V49 WeakPolarHBondContact O-CG2 3.41Å; M46-V49 PolarHBondContact O-N 2.9Å; M46-V49 VanDerWaalsContact O-N 3.12Å
47L92.5Very high91.6Very high8 Ų864.4 Ų64.44%0.04235%0.354CS..G310 helixtrans-53.4-36.1175.5-74171000111.7H28 I30 L36 K44 E45 V49 Y50 F51 M53 L59H28-L47 HydrophobicContact CB-CD2 3.66Å; H28-L47 WeakPolarHBondContact ND1-CD2 3.37Å; I30-L47 HydrophobicContact CD1-CD2 4.08Å; L36-L47 HydrophobicContact CD1-CD1 4.49Å; K44-L47 HydrophobicContact CB-CD1 4.38Å; K44-L47 WeakPolarHBondContact O-CD1 3.38Å; K44-L47 WeakPolarHBondContact O-CG 3.43Å; E45-L47 PolarHBondContact O-N 3.18Å; L47-V49 PolarHBondContact O-N 3.24Å; L47-V49 VanDerWaalsContact O-N 3.12Å; L47-Y50 PolarHBondContact O-N 2.75Å; L47-F51 WeakPolarHBondContact O-CB 3.23Å; L47-F51 WeakPolarHBondContact O-CD2 3.26Å; L47-F51 PolarHBondContact O-N 3.33Å; L47-M53 HydrophobicContact CD1-CE 4.25Å; L47-L59 HydrophobicContact CB-CD2 4.39Å; L47-L59 HydrophobicContact CD1-CD1 4.1Å; L47-L59 HydrophobicContact CD1-CD2 4.47Å; L47-L59 HydrophobicContact CD2-CD1 4.31Å
48T93.2Very high91.8Very high28 Ų2863.4 Ų63.417%0.17234%0.344CS..G310 helixtrans-61.7-20.6-176.850.20000114.1M1 E3 M46 Y50 F51 R62M1-T48 HydrophobicContact SD-CG2 4.13Å; M1-T48 PolarHBondContact SD-OG1 3.44Å; E3-T48 WeakPolarHBondContact CG-O 3.45Å; M46-T48 PolarHBondContact O-N 3Å; M46-T48 VanDerWaalsContact O-N 3.14Å; T48-Y50 VanDerWaalsContact C-N 3.34Å; T48-Y50 PolarHBondContact O-N 2.79Å; T48-F51 CarbonylContact C-O 3.57Å; T48-F51 WeakPolarHBondContact CA-O 3.44Å; T48-R62 PolarHBondContact O-NE 2.73Å
49V94.8Very high92.2Very high1 Ų158.4 Ų58.41%0.00630%0.302CS..G310 helixtrans-58.9-45.4-179.51750000111.2I4 M46 L47 F240I4-V49 HydrophobicContact CD1-CG1 3.9Å; I4-V49 HydrophobicContact CG1-CG1 4.12Å; I4-V49 PolarHBondContact N-O 2.91Å; M46-V49 HydrophobicContact CB-CG2 3.92Å; M46-V49 HydrophobicContact CE-CG2 4.12Å; M46-V49 WeakPolarHBondContact O-CB 3.43Å; M46-V49 VanDerWaalsContact O-CG2 3.29Å; M46-V49 WeakPolarHBondContact O-CG2 3.41Å; M46-V49 PolarHBondContact O-N 2.9Å; M46-V49 VanDerWaalsContact O-N 3.12Å; L47-V49 PolarHBondContact O-N 3.24Å; L47-V49 VanDerWaalsContact O-N 3.12Å; V49-F240 HydrophobicContact CG1-CB 4.2Å; V49-F240 WeakPolarHBondContact CG2-O 3.29Å
50Y96.6Very high92.6Very high1 Ų158.5 Ų58.50%0.00430%0.302CS..THydrogen-bonded Turntrans-115.2-11.5-179.8-78-80.6000113.8I4 C6 F20 W21 L24 L47 T48 P61 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CD1 4.4Å; I4-Y50 HydrophobicContact CB-CE1 4.01Å; I4-Y50 HydrophobicContact CD1-CE1 4.45Å; I4-Y50 HydrophobicContact CD1-CE2 4.12Å; I4-Y50 HydrophobicContact CG2-CE1 3.82Å; C6-Y50 WeakPolarHBondContact SG-CD1 3.14Å; C6-Y50 WeakPolarHBondContact SG-CE1 3.35Å; F20-Y50 HydrophobicContact CE1-CE1 4.36Å; F20-Y50 HydrophobicContact CZ-CE1 4.31Å; W21-Y50 AromaticContact CH2-CD1 3.9Å; W21-Y50 HydrophobicContact CH2-CD1 3.9Å; W21-Y50 HydrophobicContact CH2-CG 4.38Å; W21-Y50 HydrophobicContact CZ3-CD1 4.38Å; W21-Y50 HydrophobicContact CZ3-CG 4.49Å; L24-Y50 HydrophobicContact CD2-CD1 4.35Å; L24-Y50 HydrophobicContact CD2-CD2 4.22Å; L24-Y50 HydrophobicContact CD2-CG 4.01Å; L47-Y50 PolarHBondContact O-N 2.75Å; T48-Y50 VanDerWaalsContact C-N 3.34Å; T48-Y50 PolarHBondContact O-N 2.79Å; Y50-P61 WeakPolarHBondContact O-CA 3.37Å; Y50-R62 PolarHBondContact O-N 2.82Å; Y50-Q134 PolarHBondContact OH-OE1 3.17Å; Y50-T237 WeakPolarHBondContact OH-CB 3.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.43Å; Y50-R241 HydrophobicContact CD2-CG 3.61Å; Y50-R241 HydrophobicContact CE2-CG 3.71Å
51F96.7Very high92.9Very high1 Ų154.8 Ų54.80%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-121.4136.2-178.4-61.1-91.1000110.8W21 L24 I30 L47 T48 L59 I60 P61W21-F51 HydrophobicContact CE3-CE1 4.28Å; W21-F51 HydrophobicContact CE3-CZ 4.06Å; W21-F51 HydrophobicContact CZ3-CE1 4.17Å; W21-F51 HydrophobicContact CZ3-CE2 4.34Å; W21-F51 AromaticContact CZ3-CZ 3.95Å; W21-F51 HydrophobicContact CZ3-CZ 3.95Å; L24-F51 HydrophobicContact CB-CE2 4.46Å; L24-F51 HydrophobicContact CB-CZ 4.26Å; I30-F51 HydrophobicContact CD1-CD1 4.17Å; I30-F51 HydrophobicContact CD1-CD2 4.02Å; I30-F51 HydrophobicContact CD1-CE1 3.82Å; I30-F51 HydrophobicContact CD1-CE2 3.67Å; I30-F51 HydrophobicContact CD1-CG 4.27Å; I30-F51 HydrophobicContact CD1-CZ 3.56Å; L47-F51 WeakPolarHBondContact O-CB 3.23Å; L47-F51 WeakPolarHBondContact O-CD2 3.26Å; L47-F51 PolarHBondContact O-N 3.33Å; T48-F51 CarbonylContact C-O 3.57Å; T48-F51 WeakPolarHBondContact CA-O 3.44Å; F51-L59 HydrophobicContact CB-CB 4.12Å; F51-L59 HydrophobicContact CB-CD2 3.87Å; F51-L59 HydrophobicContact CD1-CB 4.08Å; F51-L59 HydrophobicContact CG-CB 4.31Å; F51-I60 CarbonylContact C-O 3.35Å; F51-I60 VanDerWaalsContact CA-O 3.27Å; F51-I60 WeakPolarHBondContact CA-O 3.3Å; F51-P61 HydrophobicContact CD1-CG 4.17Å; F51-P61 HydrophobicContact CE1-CG 3.93Å
52N95.1Very high93.3Very high42 Ų4248.9 Ų48.923%0.22525%0.251CS..EExtended strand (participates in β ladder)trans-81.9130.3161.8-171.715.2000109.1L59 I60 R62N52-L59 WeakPolarHBondContact O-CA 3.25Å; N52-I60 PolarHBondContact N-O 3.34Å; N52-I60 PolarHBondContact O-N 2.78Å; N52-R62 HydrophobicContact CB-CG 4.49Å
53M93.1Very high93.7Very high97 Ų9746.5 Ų46.548%0.47824%0.238SC..EExtended strand (participates in β ladder)trans-97.6113.9177.3-175178.9-69.700109.2L47 L59L47-M53 HydrophobicContact CD1-CE 4.25Å; M53-L59 HydrophobicContact CB-CD2 3.95Å; M53-L59 HydrophobicContact CE-CD2 3.86Å; M53-L59 HydrophobicContact CG-CD2 4.2Å
54L92.4Very high94Very high61 Ų6145.2 Ų45.232%0.31923%0.232SC..  trans-75.1160.8176.2-59.4-172.1000111.6T56 G57 R58 I60L54-T56 PolarHBondContact O-N 2.83Å; L54-T56 VanDerWaalsContact O-N 3.1Å; L54-G57 WeakPolarHBondContact O-CA 3.42Å; L54-G57 PolarHBondContact O-N 3.14Å; L54-R58 WeakPolarHBondContact CB-O 3.2Å; L54-R58 HydrophobicContact CD1-CB 4.43Å; L54-R58 PolarHBondContact N-O 3.01Å; L54-I60 HydrophobicContact CD1-CD1 3.54Å; L54-I60 HydrophobicContact CD1-CG1 4.19Å; L54-I60 HydrophobicContact CD2-CD1 4.27Å; L54-I60 HydrophobicContact CG-CD1 4.03Å; L54-I60 HydrophobicContact CG-CG1 4.34Å
55E90.3Very high94.4Very high210 Ų21041.3 Ų41.398%0.98122%0.215SC*.THydrogen-bonded Turntrans-56.2-27.7172.9-62.1-177169.700113.1G57E55-G57 PolarHBondContact O-N 2.72Å
56T90.3Very high94.8Very high117 Ų11737.1 Ų37.172%0.71820%0.196SC*.THydrogen-bonded Turntrans-72.5-5.6175.758.70000113.5L54 R58L54-T56 PolarHBondContact O-N 2.83Å; L54-T56 VanDerWaalsContact O-N 3.1Å; T56-R58 VanDerWaalsContact C-N 3.25Å; T56-R58 PolarHBondContact O-N 3.06Å
57G90.4Very high95.1Very high40 Ų4034.2 Ų34.241%0.41218%0.181SC..SBendtrans80.8-0.1-17300000114.1L54 E55L54-G57 WeakPolarHBondContact O-CA 3.42Å; L54-G57 PolarHBondContact O-N 3.14Å; E55-G57 PolarHBondContact O-N 2.72Å
58R94.5Very high95.3Very high87 Ų8734 Ų3433%0.32818%0.18SC..  trans-76135.7176.4-175.9179.3175.7-149.6-4.4110.7D33 L54 T56 K83D33-R58 WeakPolarHBondContact O-CD 3.3Å; D33-R58 PolarHBondContact O-NE 3.32Å; L54-R58 WeakPolarHBondContact CB-O 3.2Å; L54-R58 HydrophobicContact CD1-CB 4.43Å; L54-R58 PolarHBondContact N-O 3.01Å; T56-R58 VanDerWaalsContact C-N 3.25Å; T56-R58 PolarHBondContact O-N 3.06Å; R58-K83 PolarHBondContact NH2-O 3.1Å
59L96.1Very high95.3Very high1 Ų137 Ų371%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-96.7126.5176.7-67.1160.7000109.9I30 G34 L36 L47 F51 N52 M53I30-L59 HydrophobicContact CD1-CB 4.5Å; I30-L59 HydrophobicContact CD1-CD1 3.69Å; I30-L59 HydrophobicContact CG1-CD1 3.81Å; I30-L59 HydrophobicContact CG2-CB 4.44Å; I30-L59 HydrophobicContact CG2-CD1 4.37Å; G34-L59 VanDerWaalsContact CA-O 3.26Å; G34-L59 WeakPolarHBondContact CA-O 3.47Å; G34-L59 PolarHBondContact O-N 3.23Å; L36-L59 HydrophobicContact CB-CD1 4.48Å; L36-L59 HydrophobicContact CD1-CD1 4.18Å; L47-L59 HydrophobicContact CB-CD2 4.39Å; L47-L59 HydrophobicContact CD1-CD1 4.1Å; L47-L59 HydrophobicContact CD1-CD2 4.47Å; L47-L59 HydrophobicContact CD2-CD1 4.31Å; F51-L59 HydrophobicContact CB-CB 4.12Å; F51-L59 HydrophobicContact CB-CD2 3.87Å; F51-L59 HydrophobicContact CD1-CB 4.08Å; F51-L59 HydrophobicContact CG-CB 4.31Å; N52-L59 WeakPolarHBondContact O-CA 3.25Å; M53-L59 HydrophobicContact CB-CD2 3.95Å; M53-L59 HydrophobicContact CE-CD2 3.86Å; M53-L59 HydrophobicContact CG-CD2 4.2Å
60I96.8Very high95.3Very high13 Ų1339.6 Ų39.67%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-116.8129.3177-63.2-174.2000108.7F51 N52 L54 R62 H86F51-I60 CarbonylContact C-O 3.35Å; F51-I60 VanDerWaalsContact CA-O 3.27Å; F51-I60 WeakPolarHBondContact CA-O 3.3Å; N52-I60 PolarHBondContact N-O 3.34Å; N52-I60 PolarHBondContact O-N 2.78Å; L54-I60 HydrophobicContact CD1-CD1 3.54Å; L54-I60 HydrophobicContact CD1-CG1 4.19Å; L54-I60 HydrophobicContact CD2-CD1 4.27Å; L54-I60 HydrophobicContact CG-CD1 4.03Å; L54-I60 HydrophobicContact CG-CG1 4.34Å; I60-R62 PolarHBondContact O-N 3.05Å; I60-H86 HydrophobicContact CG2-CB 4.11Å
61P97.8Very high95.1Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-58.1132.4175.1-26.135.7000112.8W21 Y50 F51 S63 L84 F85W21-P61 HydrophobicContact CD2-CB 4.01Å; W21-P61 HydrophobicContact CD2-CG 4.29Å; W21-P61 HydrophobicContact CE3-CB 3.91Å; W21-P61 HydrophobicContact CE3-CG 4.12Å; W21-P61 HydrophobicContact CH2-CB 3.64Å; W21-P61 HydrophobicContact CZ2-CB 3.72Å; W21-P61 HydrophobicContact CZ3-CB 3.72Å; W21-P61 HydrophobicContact CZ3-CG 4.31Å; Y50-P61 WeakPolarHBondContact O-CA 3.37Å; F51-P61 HydrophobicContact CD1-CG 4.17Å; F51-P61 HydrophobicContact CE1-CG 3.93Å; P61-S63 VanDerWaalsContact C-N 3.29Å; P61-S63 PolarHBondContact O-N 2.7Å; P61-S63 PolarHBondContact O-OG 3.17Å; P61-L84 VanDerWaalsContact CD-O 3.26Å; P61-L84 WeakPolarHBondContact CD-O 3.34Å; P61-L84 HydrophobicContact CG-CD1 4.25Å; P61-L84 HydrophobicContact CG-CD2 3.7Å; P61-L84 HydrophobicContact CG-CG 3.57Å; P61-F85 HydrophobicContact CB-CD1 3.99Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 3.87Å; P61-F85 HydrophobicContact CG-CE1 3.79Å
62R97.6Very high94.9Very high8 Ų842.2 Ų42.23%0.0323%0.233CC..  trans-71.486.2167-64.4-178.3-174.6-790.4108.3I5 C6 T48 Y50 N52 I60 N126 C127I5-R62 HydrophobicContact CG1-CB 4.48Å; C6-R62 PolarHBondContact N-O 3.3Å; T48-R62 PolarHBondContact O-NE 2.73Å; Y50-R62 PolarHBondContact O-N 2.82Å; N52-R62 HydrophobicContact CB-CG 4.49Å; I60-R62 PolarHBondContact O-N 3.05Å; R62-N126 PolarHBondContact NH1-O 3.48Å; R62-C127 PolarHBondContact NH1-SG 3.35Å; R62-C127 VanDerWaalsContact NH1-SG 3.43Å
63S97.5Very high95Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-146.8148.3-168.164.50000113.6C6 P61 F85 S89C6-S63 CarbonylContact O-C 3.03Å; C6-S63 WeakPolarHBondContact O-CA 3.44Å; P61-S63 VanDerWaalsContact C-N 3.29Å; P61-S63 PolarHBondContact O-N 2.7Å; P61-S63 PolarHBondContact O-OG 3.17Å; S63-F85 VanDerWaalsContact OG-CD1 3.3Å; S63-F85 WeakPolarHBondContact OG-CD1 3.4Å; S63-S89 WeakPolarHBondContact O-CB 3.33Å; S63-S89 PolarHBondContact O-OG 2.85Å
64V98.3Very high95.1Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-129.5116.8172.1-168.30000107.7I5 C6 L7 Q8 V66 I91 I116 V119 V120 E123I5-V64 HydrophobicContact CG2-CG2 4.28Å; C6-V64 PolarHBondContact O-N 2.61Å; L7-V64 CarbonylContact C-O 3.51Å; L7-V64 WeakPolarHBondContact CA-O 3.48Å; L7-V64 HydrophobicContact CG-CB 4.25Å; Q8-V64 PolarHBondContact N-O 2.99Å; V64-V66 HydrophobicContact CG1-CG2 3.84Å; V64-I91 HydrophobicContact CG1-CD1 3.7Å; V64-I91 HydrophobicContact CG1-CG1 4.49Å; V64-I116 HydrophobicContact CG1-CG2 4.43Å; V64-V119 HydrophobicContact CG1-CB 4.49Å; V64-V119 HydrophobicContact CG1-CG1 4.16Å; V64-V119 HydrophobicContact CG2-CG1 4Å; V64-V120 HydrophobicContact CG2-CG2 4Å; V64-E123 HydrophobicContact CG2-CG 4.46Å
65L98.5Very high95.2Very high0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-105.5114.4-178.2-63.886000108.3Q8 L73 I76 F85 S89 F90 I91Q8-L65 HydrophobicContact CB-CG 4.4Å; L65-L73 HydrophobicContact CB-CD2 3.66Å; L65-I76 HydrophobicContact CD2-CD1 3.96Å; L65-I76 HydrophobicContact CD2-CG2 4.23Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.29Å; L65-F85 HydrophobicContact CD1-CG 4.17Å; L65-S89 PolarHBondContact N-O 3.43Å; L65-F90 HydrophobicContact CB-CD1 4.27Å; L65-F90 HydrophobicContact CD2-CD1 4.3Å; L65-F90 HydrophobicContact CD2-CE1 3.87Å; L65-F90 HydrophobicContact CD2-CZ 4.46Å; L65-I91 PolarHBondContact O-N 3.39Å
66V98Very high95.5Very high0 Ų030.9 Ų30.90%019%0.188CC..EExtended strand (participates in β ladder)trans-122.1131.8-170.3-177.90000109.6Q8 I9 G10 N14 V64 I91 L112 I116 L147Q8-V66 PolarHBondContact O-N 3.49Å; I9-V66 WeakPolarHBondContact CA-O 3.42Å; I9-V66 HydrophobicContact CG1-CB 4.47Å; G10-V66 PolarHBondContact N-O 2.75Å; N14-V66 PolarHBondContact ND2-O 3.01Å; V64-V66 HydrophobicContact CG1-CG2 3.84Å; V66-I91 WeakPolarHBondContact CA-O 3.27Å; V66-L112 HydrophobicContact CG1-CD2 4.21Å; V66-I116 HydrophobicContact CB-CD1 4.46Å; V66-I116 HydrophobicContact CG1-CD1 3.44Å; V66-I116 VanDerWaalsContact CG1-CD1 3.44Å; V66-I116 HydrophobicContact CG1-CG1 4.01Å; V66-I116 HydrophobicContact CG2-CD1 4.15Å; V66-I116 HydrophobicContact CG2-CG1 3.94Å; V66-I116 HydrophobicContact CG2-CG2 3.97Å; V66-L147 HydrophobicContact CG1-CD2 3.67Å
67D97.2Very high95.7Very high3 Ų330.8 Ų30.82%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-149.3149.8166-152.4-53000109.5G10 Q11 E69 P72 L73 I91 A92 G93G10-D67 VanDerWaalsContact CA-OD2 3.23Å; G10-D67 WeakPolarHBondContact CA-OD2 3.3Å; Q11-D67 PolarHBondContact N-OD2 3.12Å; D67-E69 VanDerWaalsContact C-N 3.26Å; D67-E69 WeakPolarHBondContact CB-O 3.45Å; D67-E69 PolarHBondContact OD1-N 3.25Å; D67-P72 WeakPolarHBondContact OD2-CB 3.37Å; D67-P72 WeakPolarHBondContact OD2-CG 3.45Å; D67-L73 HydrophobicContact CB-CD1 4.02Å; D67-L73 HydrophobicContact CB-CD2 4.42Å; D67-L73 HydrophobicContact CB-CG 3.87Å; D67-I91 PolarHBondContact N-O 2.87Å; D67-I91 VanDerWaalsContact N-O 3.1Å; D67-A92 CarbonylContact O-C 3.52Å; D67-A92 VanDerWaalsContact O-CA 3.24Å; D67-A92 WeakPolarHBondContact O-CA 3.2Å; D67-G93 PolarHBondContact O-N 3.12Å
68L95.4Very high95.9Very high3 Ų334.4 Ų34.42%0.01619%0.192CC..SBendtrans-81-15174.3-71.5168.8000111.4G93 T94 S95 T97 D108 L112 T143 L147L68-G93 CarbonylContact O-C 3.57Å; L68-G93 WeakPolarHBondContact O-CA 3.45Å; L68-T94 PolarHBondContact O-N 3.08Å; L68-S95 CarbonylContact C-O 3.56Å; L68-S95 WeakPolarHBondContact CB-O 3.48Å; L68-S95 CarbonylContact O-C 3.43Å; L68-S95 PolarHBondContact O-N 3.45Å; L68-T97 HydrophobicContact CD1-CG2 3.24Å; L68-T97 HydrophobicContact CG-CG2 4.47Å; L68-D108 HydrophobicContact CD1-CB 4.36Å; L68-D108 HydrophobicContact CD2-CB 4.37Å; L68-L112 HydrophobicContact CD2-CB 4.2Å; L68-L112 HydrophobicContact CD2-CD2 3.87Å; L68-T143 HydrophobicContact CB-CG2 4.25Å; L68-T143 HydrophobicContact CD1-CG2 4.01Å; L68-T143 HydrophobicContact CG-CG2 3.93Å; L68-L147 HydrophobicContact CD1-CD2 4.26Å; L68-L147 HydrophobicContact CD2-CD2 4.23Å; L68-L147 HydrophobicContact CG-CD2 4.05Å
69E93.7Very high95.9Very high92 Ų9231.5 Ų31.543%0.4319%0.189SC..SBendtrans-110.9139.8170.1-64-176.990.800111.6D67 G71 P72D67-E69 VanDerWaalsContact C-N 3.26Å; D67-E69 WeakPolarHBondContact CB-O 3.45Å; D67-E69 PolarHBondContact OD1-N 3.25Å; E69-G71 PolarHBondContact O-N 3.34Å; E69-P72 WeakPolarHBondContact O-CD 3.44Å
70P94Very high95.7Very high56 Ų5636.4 Ų36.436%0.36422%0.222SC..Hα-helixtrans-72.2-17.3-179.429.5-36000113.3L73 N74 A92P70-L73 PolarHBondContact O-N 3.46Å; P70-N74 VanDerWaalsContact O-CB 3.26Å; P70-N74 WeakPolarHBondContact O-CB 3.42Å; P70-N74 PolarHBondContact O-N 3.09Å; P70-N74 PolarHBondContact O-ND2 2.9Å; P70-A92 HydrophobicContact CB-CB 4.18Å
71G93.4Very high95.5Very high37 Ų3736.5 Ų36.538%0.38122%0.222SC..Hα-helixtrans-57.7-55.9-173.400000114.4E69 L73 N74 S75E69-G71 PolarHBondContact O-N 3.34Å; G71-L73 PolarHBondContact O-N 2.95Å; G71-N74 PolarHBondContact O-N 2.93Å; G71-S75 PolarHBondContact O-N 3.36Å; G71-S75 PolarHBondContact O-OG 3.43Å
72P92.8Very high95.3Very high20 Ų2037 Ų3713%0.1323%0.227CC..Hα-helixtrans-57.3-44.5177.9-29.238.1000113.2Q11 D67 E69 S75 I76Q11-P72 HydrophobicContact CB-CG 4.07Å; Q11-P72 HydrophobicContact CG-CG 4.24Å; D67-P72 WeakPolarHBondContact OD2-CB 3.37Å; D67-P72 WeakPolarHBondContact OD2-CG 3.45Å; E69-P72 WeakPolarHBondContact O-CD 3.44Å; P72-S75 WeakPolarHBondContact O-CB 3.48Å; P72-S75 PolarHBondContact O-N 3.43Å; P72-I76 PolarHBondContact O-N 3.13Å
73L96.6Very high95.1Very high1 Ų144.3 Ų44.31%0.00526%0.259CS..Hα-helixtrans-68.6-41.1-179.9-64.1-177.4000112.8L65 D67 P70 G71 S75 I76 R77 F90 I91 A92L65-L73 HydrophobicContact CB-CD2 3.66Å; D67-L73 HydrophobicContact CB-CD1 4.02Å; D67-L73 HydrophobicContact CB-CD2 4.42Å; D67-L73 HydrophobicContact CB-CG 3.87Å; P70-L73 PolarHBondContact O-N 3.46Å; G71-L73 PolarHBondContact O-N 2.95Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.01Å; L73-I76 PolarHBondContact O-N 3.26Å; L73-R77 WeakPolarHBondContact O-CB 3.33Å; L73-R77 PolarHBondContact O-N 2.9Å; L73-F90 HydrophobicContact CB-CD1 4.21Å; L73-F90 HydrophobicContact CD2-CD1 4.24Å; L73-I91 VanDerWaalsContact CD1-O 3.24Å; L73-I91 WeakPolarHBondContact CD1-O 3.48Å; L73-A92 HydrophobicContact CD1-CB 3.85Å
74N95.7Very high95Very high67 Ų6744.3 Ų44.336%0.35826%0.259SS..Hα-helixtrans-62.3-36175.1-76.3-26.7000111.8P70 G71 I76 R77 C78P70-N74 VanDerWaalsContact O-CB 3.26Å; P70-N74 WeakPolarHBondContact O-CB 3.42Å; P70-N74 PolarHBondContact O-N 3.09Å; P70-N74 PolarHBondContact O-ND2 2.9Å; G71-N74 PolarHBondContact O-N 2.93Å; N74-I76 VanDerWaalsContact C-N 3.3Å; N74-I76 PolarHBondContact O-N 2.81Å; N74-R77 PolarHBondContact O-N 3.05Å; N74-R77 PolarHBondContact OD1-NH1 3.23Å; N74-C78 WeakPolarHBondContact O-CB 3.42Å; N74-C78 PolarHBondContact O-N 2.89Å; N74-C78 PolarHBondContact O-SG 3.33Å
75S94.9Very high94.9Very high86 Ų8644.5 Ų44.560%0.60126%0.26SS*.Hα-helixtrans-62.4-38.4176.3-57.60000111.9G71 P72 L73 G79G71-S75 PolarHBondContact O-N 3.36Å; G71-S75 PolarHBondContact O-OG 3.43Å; P72-S75 WeakPolarHBondContact O-CB 3.48Å; P72-S75 PolarHBondContact O-N 3.43Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.01Å; S75-G79 PolarHBondContact O-N 3.27Å; S75-G79 VanDerWaalsContact O-N 3.08Å
76I95.6Very high94.8Very high17 Ų1747.9 Ų47.99%0.08728%0.276CS..Hα-helixtrans-70.8-46.1175.1-62.3172.3000110.6N14 S18 L65 P72 L73 N74 C78 G79 G82 F85 F90N14-I76 HydrophobicContact CB-CD1 3.74Å; S18-I76 WeakPolarHBondContact OG-CD1 3.47Å; S18-I76 VanDerWaalsContact OG-CG1 3.3Å; S18-I76 WeakPolarHBondContact OG-CG1 3.49Å; L65-I76 HydrophobicContact CD2-CD1 3.96Å; L65-I76 HydrophobicContact CD2-CG2 4.23Å; P72-I76 PolarHBondContact O-N 3.13Å; L73-I76 PolarHBondContact O-N 3.26Å; N74-I76 VanDerWaalsContact C-N 3.3Å; N74-I76 PolarHBondContact O-N 2.81Å; I76-C78 VanDerWaalsContact C-N 3.31Å; I76-C78 PolarHBondContact O-N 3.05Å; I76-G79 WeakPolarHBondContact O-CA 3.45Å; I76-G79 PolarHBondContact O-N 2.85Å; I76-G82 VanDerWaalsContact O-CA 3.26Å; I76-G82 WeakPolarHBondContact O-CA 3.26Å; I76-G82 PolarHBondContact O-N 2.84Å; I76-F85 HydrophobicContact CG2-CD2 4.2Å; I76-F85 HydrophobicContact CG2-CE2 3.95Å; I76-F90 HydrophobicContact CB-CE1 4.26Å; I76-F90 HydrophobicContact CG2-CE1 3.99Å; I76-F90 HydrophobicContact CG2-CZ 4.33Å
77R94.4Very high94.6Very high115 Ų11552.4 Ų52.443%0.43431%0.305SS..Hα-helixtrans-60.8-38.2-179.7-171.7-177.1-69.2159.4-8.8112.7L73 N74 G79 G82 F90L73-R77 WeakPolarHBondContact O-CB 3.33Å; L73-R77 PolarHBondContact O-N 2.9Å; N74-R77 PolarHBondContact O-N 3.05Å; N74-R77 PolarHBondContact OD1-NH1 3.23Å; R77-G79 VanDerWaalsContact C-N 3.31Å; R77-G82 WeakPolarHBondContact O-CA 3.4Å; R77-F90 HydrophobicContact CB-CE1 4.38Å; R77-F90 VanDerWaalsContact NH2-CB 3.27Å
78C94.8Very high94.5Very high116 Ų11657.8 Ų57.878%0.78433%0.33SS*.THydrogen-bonded Turntrans-83.4-10174-66.10000113.1N74 I76N74-C78 WeakPolarHBondContact O-CB 3.42Å; N74-C78 PolarHBondContact O-N 2.89Å; N74-C78 PolarHBondContact O-SG 3.33Å; I76-C78 VanDerWaalsContact C-N 3.31Å; I76-C78 PolarHBondContact O-N 3.05Å
79G93.7Very high94.5Very high26 Ų2657.7 Ų57.727%0.26833%0.33SS..SBendtrans-82179.1-179.400000113.6S75 I76 R77 L81 G82S75-G79 PolarHBondContact O-N 3.27Å; S75-G79 VanDerWaalsContact O-N 3.08Å; I76-G79 WeakPolarHBondContact O-CA 3.45Å; I76-G79 PolarHBondContact O-N 2.85Å; R77-G79 VanDerWaalsContact C-N 3.31Å; G79-L81 VanDerWaalsContact C-N 3.26Å; G79-L81 PolarHBondContact O-N 2.76Å; G79-G82 PolarHBondContact O-N 3.49Å
80P92.7Very high94.7Very high105 Ų10554.1 Ų54.168%0.68231%0.313SS*.THydrogen-bonded Turntrans-58.6-35.3-176.5-2534.5000114H32H32-P80 WeakPolarHBondContact CB-O 3.37Å
81L93.5Very high94.9Very high14 Ų1452.2 Ų52.27%0.07330%0.299CS..THydrogen-bonded Turntrans-88.41.4-179.8-60.1178.9000113.5S18 W21 E22 H32 G79 K83 L84 F85S18-L81 WeakPolarHBondContact O-CD1 3.33Å; W21-L81 HydrophobicContact CB-CD1 4.3Å; E22-L81 HydrophobicContact CB-CD1 4.16Å; H32-L81 HydrophobicContact CB-CD2 4.21Å; G79-L81 VanDerWaalsContact C-N 3.26Å; G79-L81 PolarHBondContact O-N 2.76Å; L81-K83 PolarHBondContact O-N 3.27Å; L81-K83 VanDerWaalsContact O-N 3.12Å; L81-L84 HydrophobicContact CB-CB 4.45Å; L81-L84 HydrophobicContact CD2-CD2 4.14Å; L81-L84 WeakPolarHBondContact O-CB 3.3Å; L81-L84 PolarHBondContact O-N 2.86Å; L81-F85 HydrophobicContact CB-CE2 3.85Å; L81-F85 VanDerWaalsContact O-CD2 3.26Å; L81-F85 WeakPolarHBondContact O-CD2 3.43Å
82G92.7Very high95Very high11 Ų1152.6 Ų52.611%0.11330%0.299CS..THydrogen-bonded Turntrans-59.5-29.6-174.800000113.7I76 R77 G79I76-G82 VanDerWaalsContact O-CA 3.26Å; I76-G82 WeakPolarHBondContact O-CA 3.26Å; I76-G82 PolarHBondContact O-N 2.84Å; R77-G82 WeakPolarHBondContact O-CA 3.4Å; G79-G82 PolarHBondContact O-N 3.49Å
83K93Very high95Very high162 Ų16252.4 Ų52.470%0.70430%0.3SS*.THydrogen-bonded Turntrans-84-7.3174.8-65.4-176.3-178.6179.20113.6R58 L81R58-K83 PolarHBondContact NH2-O 3.1Å; L81-K83 PolarHBondContact O-N 3.27Å; L81-K83 VanDerWaalsContact O-N 3.12Å
84L96.5Very high94.6Very high0 Ų058.9 Ų58.90%034%0.34CS..THydrogen-bonded Turntrans-76.2-41.9-179.9-176.764.1000110.8W21 C25 H32 P61 L81W21-L84 HydrophobicContact CB-CD2 4.45Å; C25-L84 WeakPolarHBondContact SG-CD2 3.31Å; H32-L84 WeakPolarHBondContact O-CA 3.26Å; H32-L84 WeakPolarHBondContact O-CB 3.45Å; H32-L84 PolarHBondContact O-N 2.96Å; P61-L84 VanDerWaalsContact CD-O 3.26Å; P61-L84 WeakPolarHBondContact CD-O 3.34Å; P61-L84 HydrophobicContact CG-CD1 4.25Å; P61-L84 HydrophobicContact CG-CD2 3.7Å; P61-L84 HydrophobicContact CG-CG 3.57Å; L81-L84 HydrophobicContact CB-CB 4.45Å; L81-L84 HydrophobicContact CD2-CD2 4.14Å; L81-L84 WeakPolarHBondContact O-CB 3.3Å; L81-L84 PolarHBondContact O-N 2.86Å
85F96.7Very high94.1Very high4 Ų457.8 Ų57.82%0.01834%0.338CS..SBendtrans-81.4151.6-174.4-57.5-71.4000112.6W21 P61 S63 L65 I76 L81 F90W21-F85 HydrophobicContact CB-CE1 4.45Å; W21-F85 HydrophobicContact CB-CZ 3.98Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.32Å; W21-F85 HydrophobicContact CD2-CE1 4.22Å; W21-F85 AromaticContact CG-CE1 3.79Å; W21-F85 HydrophobicContact CG-CE1 3.79Å; W21-F85 AromaticContact CG-CZ 3.73Å; W21-F85 HydrophobicContact CG-CZ 3.73Å; W21-F85 AromaticContact NE1-CE1 3.52Å; W21-F85 AromaticContact NE1-CZ 3.98Å; P61-F85 HydrophobicContact CB-CD1 3.99Å; P61-F85 HydrophobicContact CB-CE1 3.93Å; P61-F85 HydrophobicContact CG-CD1 3.87Å; P61-F85 HydrophobicContact CG-CE1 3.79Å; S63-F85 VanDerWaalsContact OG-CD1 3.3Å; S63-F85 WeakPolarHBondContact OG-CD1 3.4Å; L65-F85 HydrophobicContact CD1-CD1 3.87Å; L65-F85 HydrophobicContact CD1-CE1 4.29Å; L65-F85 HydrophobicContact CD1-CG 4.17Å; I76-F85 HydrophobicContact CG2-CD2 4.2Å; I76-F85 HydrophobicContact CG2-CE2 3.95Å; L81-F85 HydrophobicContact CB-CE2 3.85Å; L81-F85 VanDerWaalsContact O-CD2 3.26Å; L81-F85 WeakPolarHBondContact O-CD2 3.43Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.7Å; F85-F90 AromaticContact CD2-CZ 3.89Å; F85-F90 HydrophobicContact CD2-CZ 3.89Å; F85-F90 HydrophobicContact CG-CE2 4.37Å; F85-F90 HydrophobicContact CG-CZ 4.08Å
86H95.1Very high93.6Very high70 Ų7054.7 Ų54.732%0.32432%0.319SS..  trans-68.2138170-166.7-100000109.8I60 E88 S89 F90I60-H86 HydrophobicContact CG2-CB 4.11Å; H86-E88 IonicContact CE1-OE2 3.76Å; H86-E88 WeakPolarHBondContact ND1-CB 3.48Å; H86-E88 PolarHBondContact ND1-N 2.94Å; H86-E88 PolarHBondContact O-N 3.11Å; H86-S89 VanDerWaalsContact O-CB 3.24Å; H86-S89 WeakPolarHBondContact O-CB 3.23Å; H86-S89 PolarHBondContact O-N 3.3Å; H86-S89 PolarHBondContact O-OG 3.46Å; H86-F90 WeakPolarHBondContact O-CD2 3.46Å
87P94.5Very high93.1Very high95 Ų9554.2 Ų54.262%0.61732%0.317SS*.G310 helixtrans-57.8-34.8-179.3-27.736.2000114.2S89 F90P87-S89 VanDerWaalsContact C-N 3.26Å; P87-S89 PolarHBondContact O-N 3.31Å; P87-F90 PolarHBondContact O-N 3.12Å
88E94.9Very high92.7Very high117 Ų11752 Ų5255%0.54733%0.33SS..G310 helixtrans-73.9-15.4177.9-58.5-178.717400113.2H86 F90H86-E88 IonicContact CE1-OE2 3.76Å; H86-E88 WeakPolarHBondContact ND1-CB 3.48Å; H86-E88 PolarHBondContact ND1-N 2.94Å; H86-E88 PolarHBondContact O-N 3.11Å; E88-F90 PolarHBondContact O-N 3.48Å
89S96Very high92.5Very high0 Ų049.5 Ų49.50%031%0.309CS..G310 helixtrans-67.6-15.7173.8-61.30000112.6S63 L65 H86 P87S63-S89 WeakPolarHBondContact O-CB 3.33Å; S63-S89 PolarHBondContact O-OG 2.85Å; L65-S89 PolarHBondContact N-O 3.43Å; H86-S89 VanDerWaalsContact O-CB 3.24Å; H86-S89 WeakPolarHBondContact O-CB 3.23Å; H86-S89 PolarHBondContact O-N 3.3Å; H86-S89 PolarHBondContact O-OG 3.46Å; P87-S89 VanDerWaalsContact C-N 3.26Å; P87-S89 PolarHBondContact O-N 3.31Å
90F97.6Very high92.6Very high18 Ų1848.8 Ų48.88%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-94.6113.2-179.3-64.9-94.4000111L65 L73 I76 R77 F85 H86 P87 E88L65-F90 HydrophobicContact CB-CD1 4.27Å; L65-F90 HydrophobicContact CD2-CD1 4.3Å; L65-F90 HydrophobicContact CD2-CE1 3.87Å; L65-F90 HydrophobicContact CD2-CZ 4.46Å; L73-F90 HydrophobicContact CB-CD1 4.21Å; L73-F90 HydrophobicContact CD2-CD1 4.24Å; I76-F90 HydrophobicContact CB-CE1 4.26Å; I76-F90 HydrophobicContact CG2-CE1 3.99Å; I76-F90 HydrophobicContact CG2-CZ 4.33Å; R77-F90 HydrophobicContact CB-CE1 4.38Å; R77-F90 VanDerWaalsContact NH2-CB 3.27Å; F85-F90 HydrophobicContact CB-CE2 3.51Å; F85-F90 HydrophobicContact CB-CZ 3.7Å; F85-F90 AromaticContact CD2-CZ 3.89Å; F85-F90 HydrophobicContact CD2-CZ 3.89Å; F85-F90 HydrophobicContact CG-CE2 4.37Å; F85-F90 HydrophobicContact CG-CZ 4.08Å; H86-F90 WeakPolarHBondContact O-CD2 3.46Å; P87-F90 PolarHBondContact O-N 3.12Å; E88-F90 PolarHBondContact O-N 3.48Å
91I97.5Very high92.8Very high15 Ų1544 Ų448%0.07727%0.267CS..EExtended strand (participates in β ladder)trans-122.7108.4-175.4-50.6176.2000108.3V64 L65 V66 D67 L73 L112 I116 V119V64-I91 HydrophobicContact CG1-CD1 3.7Å; V64-I91 HydrophobicContact CG1-CG1 4.49Å; L65-I91 PolarHBondContact O-N 3.39Å; V66-I91 WeakPolarHBondContact CA-O 3.27Å; D67-I91 PolarHBondContact N-O 2.87Å; D67-I91 VanDerWaalsContact N-O 3.1Å; L73-I91 VanDerWaalsContact CD1-O 3.24Å; L73-I91 WeakPolarHBondContact CD1-O 3.48Å; I91-L112 HydrophobicContact CG2-CD1 3.72Å; I91-L112 HydrophobicContact CG2-CD2 4.08Å; I91-L112 HydrophobicContact CG2-CG 3.84Å; I91-I116 HydrophobicContact CB-CG1 4.37Å; I91-I116 HydrophobicContact CD1-CB 4.29Å; I91-I116 HydrophobicContact CD1-CG1 4.05Å; I91-I116 HydrophobicContact CG2-CG1 3.85Å; I91-V119 HydrophobicContact CD1-CB 3.8Å; I91-V119 HydrophobicContact CD1-CG1 4.34Å; I91-V119 HydrophobicContact CD1-CG2 3.6Å; I91-V119 HydrophobicContact CG1-CG2 4.34Å
92A95.7Very high92.9Very high46 Ų4643.3 Ų43.338%0.3826%0.264SS..EExtended strand (participates in β ladder)trans-113.4134.8-175.400000111.1D67 P70 L73D67-A92 CarbonylContact O-C 3.52Å; D67-A92 VanDerWaalsContact O-CA 3.24Å; D67-A92 WeakPolarHBondContact O-CA 3.2Å; P70-A92 HydrophobicContact CB-CB 4.18Å; L73-A92 HydrophobicContact CD1-CB 3.85Å
93G93.1Very high93Very high15 Ų1544.8 Ų44.816%0.15527%0.267CS..  trans-76.8-172.3163.200000112.7D67 L68D67-G93 PolarHBondContact O-N 3.12Å; L68-G93 CarbonylContact O-C 3.57Å; L68-G93 WeakPolarHBondContact O-CA 3.45Å
94T88.5Confident93.1Very high138 Ų13837 Ų3785%0.84723%0.233SC*.SBendtrans-109.5-14.4178.461.90000113.9L68L68-T94 PolarHBondContact O-N 3.08Å
95S84.7Confident93.1Very high44 Ų4437.8 Ų37.831%0.30824%0.237SC..SBendtrans-140.9141.6-170.3430000112.1L68 D108L68-S95 CarbonylContact C-O 3.56Å; L68-S95 WeakPolarHBondContact CB-O 3.48Å; L68-S95 CarbonylContact O-C 3.43Å; L68-S95 PolarHBondContact O-N 3.45Å; S95-D108 WeakPolarHBondContact CB-OD2 3.48Å; S95-D108 PolarHBondContact OG-OD2 3.37Å
96G84.4Confident93Very high20 Ų2040.4 Ų40.421%0.20625%0.249CC..  trans-74.1152.5173.300000113.3G98 K103G96-G98 VanDerWaalsContact C-N 3.26Å; G96-G98 PolarHBondContact O-N 2.92Å; G96-K103 PolarHBondContact O-NZ 2.84Å
97T84.7Confident92.8Very high8 Ų839 Ų395%0.04925%0.245CC..  trans-75.5-12.6174.952.90000113.3L68 N99 N100 K103 G142 T143L68-T97 HydrophobicContact CD1-CG2 3.24Å; L68-T97 HydrophobicContact CG-CG2 4.47Å; T97-N99 PolarHBondContact O-N 2.96Å; T97-N100 VanDerWaalsContact O-CB 3.25Å; T97-N100 WeakPolarHBondContact O-CB 3.44Å; T97-N100 PolarHBondContact O-N 3.49Å; T97-K103 HydrophobicContact CG2-CG 4.49Å; T97-G142 WeakPolarHBondContact OG1-CA 3.26Å; T97-T143 PolarHBondContact OG1-N 3.09Å; T97-T143 PolarHBondContact OG1-OG1 3.09Å
98G86.8Confident92.7Very high68 Ų6835.7 Ų35.770%0.70122%0.222SC*.THydrogen-bonded Turntrans60.231.1-174.300000113.1G96 N100G96-G98 VanDerWaalsContact C-N 3.26Å; G96-G98 PolarHBondContact O-N 2.92Å; G98-N100 VanDerWaalsContact C-N 3.27Å; G98-N100 PolarHBondContact O-N 3.24Å
99N90.7Very high92.5Very high63 Ų6330.1 Ų30.134%0.33720%0.197SC..THydrogen-bonded Turntrans62.625.6-172.8-61.5-51.7000114.8T97 A178 V180 N184T97-N99 PolarHBondContact O-N 2.96Å; N99-A178 HydrophobicContact CB-CB 3.76Å; N99-V180 HydrophobicContact CB-CG2 4.2Å; N99-V180 WeakPolarHBondContact O-CG2 3.45Å; N99-N184 PolarHBondContact O-ND2 3.17Å
100N94.5Very high92.3Very high12 Ų1234 Ų346%0.06422%0.217CC..  trans-99.9117.4177.8-171.2-21.8000111.3T97 G98 A102 K103 G104 K398 Y399T97-N100 VanDerWaalsContact O-CB 3.25Å; T97-N100 WeakPolarHBondContact O-CB 3.44Å; T97-N100 PolarHBondContact O-N 3.49Å; G98-N100 VanDerWaalsContact C-N 3.27Å; G98-N100 PolarHBondContact O-N 3.24Å; N100-A102 WeakPolarHBondContact OD1-CB 3.4Å; N100-A102 PolarHBondContact OD1-N 3.13Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 2.82Å; N100-K103 PolarHBondContact OD1-N 3.42Å; N100-G104 PolarHBondContact O-N 3.26Å; N100-K398 PolarHBondContact ND2-O 3.34Å; N100-Y399 WeakPolarHBondContact OD1-CD1 3.48Å; N100-Y399 WeakPolarHBondContact OD1-CE1 3.47Å
101W97Very high92.1Very high4 Ų440.6 Ų40.62%0.01525%0.248CC..Hα-helixtrans-60.8-41.6175.6179.2110000112.1K103 G104 F105 H106 S145 G146 T149 N184 L187 Q191 Y399 L404W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 3.47Å; W101-G104 CarbonylContact O-C 3.5Å; W101-G104 WeakPolarHBondContact O-CA 3.34Å; W101-G104 PolarHBondContact O-N 3.42Å; W101-F105 HydrophobicContact CD2-CB 4.06Å; W101-F105 AromaticContact CE2-CD2 3.88Å; W101-F105 HydrophobicContact CE3-CB 3.85Å; W101-F105 HydrophobicContact CE3-CG 4.33Å; W101-F105 HydrophobicContact CH2-CB 3.76Å; W101-F105 AromaticContact CH2-CD1 3.55Å; W101-F105 HydrophobicContact CH2-CD1 3.55Å; W101-F105 AromaticContact CH2-CD2 3.44Å; W101-F105 HydrophobicContact CH2-CD2 3.44Å; W101-F105 VanDerWaalsContact CH2-CD2 3.44Å; W101-F105 AromaticContact CH2-CE1 3.9Å; W101-F105 HydrophobicContact CH2-CE1 3.9Å; W101-F105 AromaticContact CH2-CE2 3.81Å; W101-F105 HydrophobicContact CH2-CE2 3.81Å; W101-F105 AromaticContact CH2-CG 3.3Å; W101-F105 HydrophobicContact CH2-CG 3.3Å; W101-F105 HydrophobicContact CH2-CZ 4.02Å; W101-F105 HydrophobicContact CZ2-CB 4Å; W101-F105 HydrophobicContact CZ2-CD1 4.23Å; W101-F105 AromaticContact CZ2-CD2 3.21Å; W101-F105 HydrophobicContact CZ2-CD2 3.21Å; W101-F105 AromaticContact CZ2-CE2 3.62Å; W101-F105 HydrophobicContact CZ2-CE2 3.62Å; W101-F105 AromaticContact CZ2-CG 3.57Å; W101-F105 HydrophobicContact CZ2-CG 3.57Å; W101-F105 HydrophobicContact CZ2-CZ 4.26Å; W101-F105 HydrophobicContact CZ3-CB 3.67Å; W101-F105 AromaticContact CZ3-CD1 3.93Å; W101-F105 HydrophobicContact CZ3-CD1 3.93Å; W101-F105 HydrophobicContact CZ3-CD2 4.25Å; W101-F105 AromaticContact CZ3-CG 3.71Å; W101-F105 HydrophobicContact CZ3-CG 3.71Å; W101-F105 WeakPolarHBondContact O-CB 3.29Å; W101-F105 PolarHBondContact O-N 3.43Å; W101-H106 AromaticContact CZ3-NE2 3.74Å; W101-S145 VanDerWaalsContact CD1-OG 3.25Å; W101-S145 PolarHBondContact NE1-O 3.12Å; W101-G146 VanDerWaalsContact CD1-CA 3.48Å; W101-T149 PolarHBondContact NE1-OG1 3.06Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.34Å; W101-N184 PolarHBondContact N-OD1 3.05Å; W101-N184 VanDerWaalsContact N-OD1 3.07Å; W101-L187 HydrophobicContact CB-CD1 4.26Å; W101-L187 HydrophobicContact CD2-CB 3.7Å; W101-L187 HydrophobicContact CD2-CD1 3.9Å; W101-L187 HydrophobicContact CD2-CG 4.38Å; W101-L187 HydrophobicContact CE3-CB 4.1Å; W101-L187 HydrophobicContact CE3-CD1 3.71Å; W101-L187 HydrophobicContact CE3-CG 4.36Å; W101-L187 HydrophobicContact CG-CB 4.01Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CH2-CB 4.4Å; W101-L187 HydrophobicContact CZ2-CB 3.99Å; W101-L187 HydrophobicContact CZ3-CB 4.45Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; W101-Q191 HydrophobicContact CZ2-CG 4.17Å; W101-Y399 HydrophobicContact CB-CE1 4.05Å; W101-L404 HydrophobicContact CE3-CD2 4.28Å; W101-L404 HydrophobicContact CZ3-CD1 3.91Å; W101-L404 HydrophobicContact CZ3-CD2 4.32Å
102A96.9Very high92Very high0 Ų040.9 Ų40.90%025%0.249CC..Hα-helixtrans-62.8-38.4-178.200000111.3N100 G104 F105 H106 Y399 E402 L404N100-A102 WeakPolarHBondContact OD1-CB 3.4Å; N100-A102 PolarHBondContact OD1-N 3.13Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-G104 PolarHBondContact O-N 2.83Å; A102-F105 PolarHBondContact O-N 2.82Å; A102-F105 VanDerWaalsContact O-N 3.17Å; A102-H106 WeakPolarHBondContact O-CB 3.21Å; A102-H106 PolarHBondContact O-N 3.41Å; A102-Y399 HydrophobicContact CB-CD1 3.91Å; A102-Y399 HydrophobicContact CB-CG 4.5Å; A102-E402 HydrophobicContact CB-CB 3.79Å; A102-L404 HydrophobicContact CB-CB 3.8Å; A102-L404 HydrophobicContact CB-CD2 4.15Å
103K95.1Very high92Very high41 Ų4139.1 Ų39.118%0.17823%0.233CC..Hα-helixtrans-63.9-40.1174.9-170.4163.6-179.3-163.70112.8G96 T97 N100 W101 F105 T107 D108 G109 E402G96-K103 PolarHBondContact O-NZ 2.84Å; T97-K103 HydrophobicContact CG2-CG 4.49Å; N100-K103 HydrophobicContact CB-CB 3.92Å; N100-K103 PolarHBondContact O-N 2.82Å; N100-K103 PolarHBondContact OD1-N 3.42Å; W101-K103 VanDerWaalsContact C-N 3.27Å; W101-K103 PolarHBondContact O-N 3.47Å; K103-F105 VanDerWaalsContact C-N 3.34Å; K103-T107 VanDerWaalsContact CA-OG1 3.27Å; K103-T107 WeakPolarHBondContact CA-OG1 3.49Å; K103-T107 WeakPolarHBondContact CG-OG1 3.47Å; K103-T107 CarbonylContact O-C 3.55Å; K103-T107 PolarHBondContact O-OG1 3.06Å; K103-D108 WeakPolarHBondContact CE-OD1 3.44Å; K103-D108 WeakPolarHBondContact CE-OD2 3.33Å; K103-D108 HydrophobicContact CG-CB 4.23Å; K103-D108 IonicContact NZ-OD1 3.25Å; K103-D108 IonicContact NZ-OD2 3.77Å; K103-D108 PolarHBondContact NZ-OD2 3.49Å; K103-D108 VanDerWaalsContact NZ-OD2 3.16Å; K103-D108 PolarHBondContact O-N 3.4Å; K103-G109 PolarHBondContact O-N 2.86Å; K103-E402 HydrophobicContact CB-CG 4.08Å
104G95.2Very high92.1Very high0 Ų044.4 Ų44.40%026%0.258CS..Hα-helixtrans-71-24.9173.600000114.1N100 W101 A102 G109 L147N100-G104 PolarHBondContact O-N 3.26Å; W101-G104 CarbonylContact O-C 3.5Å; W101-G104 WeakPolarHBondContact O-CA 3.34Å; W101-G104 PolarHBondContact O-N 3.42Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-G104 PolarHBondContact O-N 2.83Å; G104-G109 VanDerWaalsContact O-CA 3.32Å; G104-G109 WeakPolarHBondContact O-CA 3.34Å; G104-L147 WeakPolarHBondContact O-CA 3.33Å; G104-L147 WeakPolarHBondContact O-CB 3.49Å; G104-L147 PolarHBondContact O-N 2.89Å; G104-L147 VanDerWaalsContact O-N 3.11Å
105F96.2Very high92.5Very high16 Ų1641 Ų417%0.0724%0.24CC..Hα-helixtrans-100-43.2-173.3-167.9-85.8000113.4W101 A102 K103 G146 R150 Q191W101-F105 HydrophobicContact CD2-CB 4.06Å; W101-F105 AromaticContact CE2-CD2 3.88Å; W101-F105 HydrophobicContact CE3-CB 3.85Å; W101-F105 HydrophobicContact CE3-CG 4.33Å; W101-F105 HydrophobicContact CH2-CB 3.76Å; W101-F105 AromaticContact CH2-CD1 3.55Å; W101-F105 HydrophobicContact CH2-CD1 3.55Å; W101-F105 AromaticContact CH2-CD2 3.44Å; W101-F105 HydrophobicContact CH2-CD2 3.44Å; W101-F105 VanDerWaalsContact CH2-CD2 3.44Å; W101-F105 AromaticContact CH2-CE1 3.9Å; W101-F105 HydrophobicContact CH2-CE1 3.9Å; W101-F105 AromaticContact CH2-CE2 3.81Å; W101-F105 HydrophobicContact CH2-CE2 3.81Å; W101-F105 AromaticContact CH2-CG 3.3Å; W101-F105 HydrophobicContact CH2-CG 3.3Å; W101-F105 HydrophobicContact CH2-CZ 4.02Å; W101-F105 HydrophobicContact CZ2-CB 4Å; W101-F105 HydrophobicContact CZ2-CD1 4.23Å; W101-F105 AromaticContact CZ2-CD2 3.21Å; W101-F105 HydrophobicContact CZ2-CD2 3.21Å; W101-F105 AromaticContact CZ2-CE2 3.62Å; W101-F105 HydrophobicContact CZ2-CE2 3.62Å; W101-F105 AromaticContact CZ2-CG 3.57Å; W101-F105 HydrophobicContact CZ2-CG 3.57Å; W101-F105 HydrophobicContact CZ2-CZ 4.26Å; W101-F105 HydrophobicContact CZ3-CB 3.67Å; W101-F105 AromaticContact CZ3-CD1 3.93Å; W101-F105 HydrophobicContact CZ3-CD1 3.93Å; W101-F105 HydrophobicContact CZ3-CD2 4.25Å; W101-F105 AromaticContact CZ3-CG 3.71Å; W101-F105 HydrophobicContact CZ3-CG 3.71Å; W101-F105 WeakPolarHBondContact O-CB 3.29Å; W101-F105 PolarHBondContact O-N 3.43Å; A102-F105 PolarHBondContact O-N 2.82Å; A102-F105 VanDerWaalsContact O-N 3.17Å; K103-F105 VanDerWaalsContact C-N 3.34Å; F105-G146 WeakPolarHBondContact CD2-O 3.49Å; F105-R150 HydrophobicContact CD2-CB 3.65Å; F105-R150 HydrophobicContact CD2-CG 4.38Å; F105-R150 HydrophobicContact CE2-CB 3.78Å; F105-R150 HydrophobicContact CE2-CG 4.34Å; F105-R150 HydrophobicContact CG-CB 4.35Å; F105-Q191 HydrophobicContact CE2-CG 4.17Å
106H93.1Very high93.1Very high59 Ų5938.9 Ų38.927%0.27323%0.225SC..Hα-helixtrans-104.4-27.2-172.3-63.7-74.1000114.5W101 A102 L110 L404 E408W101-H106 AromaticContact CZ3-NE2 3.74Å; A102-H106 WeakPolarHBondContact O-CB 3.21Å; A102-H106 PolarHBondContact O-N 3.41Å; H106-L110 WeakPolarHBondContact O-CD2 3.36Å; H106-L404 WeakPolarHBondContact NE2-CD1 2.89Å; H106-E408 IonicContact CE1-OE1 3.97Å
107T92.7Very high93.7Very high40 Ų4038.3 Ų38.325%0.24522%0.217CC..SBendtrans-117.9-101.5-17261.80000112.1K103 G109 L110 E111 E402K103-T107 VanDerWaalsContact CA-OG1 3.27Å; K103-T107 WeakPolarHBondContact CA-OG1 3.49Å; K103-T107 WeakPolarHBondContact CG-OG1 3.47Å; K103-T107 CarbonylContact O-C 3.55Å; K103-T107 PolarHBondContact O-OG1 3.06Å; T107-G109 PolarHBondContact O-N 3.28Å; T107-G109 VanDerWaalsContact O-N 3.12Å; T107-L110 WeakPolarHBondContact O-CA 3.33Å; T107-L110 VanDerWaalsContact O-CB 3.31Å; T107-L110 WeakPolarHBondContact O-CB 3.47Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-E111 PolarHBondContact O-N 2.84Å; T107-E402 HydrophobicContact CG2-CB 4.5Å; T107-E402 WeakPolarHBondContact CG2-OE2 3.45Å; T107-E402 PolarHBondContact OG1-OE2 2.88Å
108D92Very high94.4Very high25 Ų2541 Ų4113%0.13423%0.232CC..Hα-helixtrans-53.9-38.5-173.9-71.333.4000112.9L68 S95 K103 L110 E111L68-D108 HydrophobicContact CD1-CB 4.36Å; L68-D108 HydrophobicContact CD2-CB 4.37Å; S95-D108 WeakPolarHBondContact CB-OD2 3.48Å; S95-D108 PolarHBondContact OG-OD2 3.37Å; K103-D108 WeakPolarHBondContact CE-OD1 3.44Å; K103-D108 WeakPolarHBondContact CE-OD2 3.33Å; K103-D108 HydrophobicContact CG-CB 4.23Å; K103-D108 IonicContact NZ-OD1 3.25Å; K103-D108 IonicContact NZ-OD2 3.77Å; K103-D108 PolarHBondContact NZ-OD2 3.49Å; K103-D108 VanDerWaalsContact NZ-OD2 3.16Å; K103-D108 PolarHBondContact O-N 3.4Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-E111 PolarHBondContact O-N 2.83Å
109G91.3Very high94.9Very high1 Ų138.5 Ų38.51%0.0120%0.203CC..Hα-helixtrans-69.1-31.3177.600000113.8K103 G104 T107 E111 L112 L113 L147K103-G109 PolarHBondContact O-N 2.86Å; G104-G109 VanDerWaalsContact O-CA 3.32Å; G104-G109 WeakPolarHBondContact O-CA 3.34Å; T107-G109 PolarHBondContact O-N 3.28Å; T107-G109 VanDerWaalsContact O-N 3.12Å; G109-E111 VanDerWaalsContact C-N 3.34Å; G109-L112 PolarHBondContact O-N 2.87Å; G109-L113 PolarHBondContact O-N 3.43Å; G109-L147 WeakPolarHBondContact O-CD1 3.21Å
110L91.7Very high95.3Very high81 Ų8135.5 Ų35.542%0.42419%0.187SC..Hα-helixtrans-68.3-36.6177-17562.4000111.1H106 T107 D108 L112 L113H106-L110 WeakPolarHBondContact O-CD2 3.36Å; T107-L110 WeakPolarHBondContact O-CA 3.33Å; T107-L110 VanDerWaalsContact O-CB 3.31Å; T107-L110 WeakPolarHBondContact O-CB 3.47Å; T107-L110 PolarHBondContact O-N 2.96Å; D108-L110 VanDerWaalsContact C-N 3.33Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 2.79Å; L110-L113 HydrophobicContact CD1-CD2 3.9Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 2.68Å
111E93.2Very high95.4Very high157 Ų15738.6 Ų38.673%0.73420%0.198SC*.Hα-helixtrans-62.6-33.4176.4-61.6-174.3169.700112.8T107 D108 G109T107-E111 PolarHBondContact O-N 2.84Å; D108-E111 PolarHBondContact O-N 2.83Å; G109-E111 VanDerWaalsContact C-N 3.34Å
112L94.5Very high95.4Very high20 Ų2042.2 Ų42.211%0.10521%0.213CC..Hα-helixtrans-86.3-15.4179.4-161.563.2000113V66 L68 I91 G109 L110 D114 S115 I116V66-L112 HydrophobicContact CG1-CD2 4.21Å; L68-L112 HydrophobicContact CD2-CB 4.2Å; L68-L112 HydrophobicContact CD2-CD2 3.87Å; I91-L112 HydrophobicContact CG2-CD1 3.72Å; I91-L112 HydrophobicContact CG2-CD2 4.08Å; I91-L112 HydrophobicContact CG2-CG 3.84Å; G109-L112 PolarHBondContact O-N 2.87Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 2.79Å; L112-D114 PolarHBondContact O-N 3.44Å; L112-S115 PolarHBondContact O-N 2.81Å; L112-I116 HydrophobicContact CB-CD1 4.17Å; L112-I116 HydrophobicContact CD2-CD1 4.07Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 HydrophobicContact CG-CG1 4.15Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.13Å; L112-I116 VanDerWaalsContact O-N 3.16Å
113L95.7Very high95.5Very high9 Ų943.1 Ų43.15%0.04722%0.217CC..Hα-helixtrans-57.3-49.4-169.5-173.860.4000112.1G109 L110 S115 I116 L117 R150 I151G109-L113 PolarHBondContact O-N 3.43Å; L110-L113 HydrophobicContact CD1-CD2 3.9Å; L110-L113 VanDerWaalsContact O-CB 3.32Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 2.68Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.93Å; L113-I116 WeakPolarHBondContact O-CA 3.38Å; L113-I116 WeakPolarHBondContact O-CB 3.14Å; L113-I116 PolarHBondContact O-N 3.12Å; L113-L117 HydrophobicContact CD1-CD1 4.02Å; L113-L117 HydrophobicContact CD1-CD2 4.28Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CD2-CD1 4.36Å; L113-L117 HydrophobicContact CG-CD1 3.71Å; L113-L117 HydrophobicContact CG-CG 4.15Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 3.19Å; L113-R150 HydrophobicContact CD2-CG 4.17Å; L113-I151 HydrophobicContact CD1-CG1 3.83Å
114D96Very high95.5Very high127 Ų12741.8 Ų41.868%0.67921%0.214SC*.Hα-helixtrans-58.3-38.5-178.6-72.5-17.5000112.8L112 I116 L117 D118L112-D114 PolarHBondContact O-N 3.44Å; D114-I116 VanDerWaalsContact C-N 3.35Å; D114-L117 PolarHBondContact O-N 3.01Å; D114-D118 PolarHBondContact O-N 3.32Å
115S96.4Very high95.6Very high66 Ų6648.5 Ų48.546%0.46225%0.246SC..Hα-helixtrans-67.2-38.6177.4-62.40000111.5L112 L113 V119L112-S115 PolarHBondContact O-N 2.81Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.93Å; S115-V119 PolarHBondContact O-N 3.34Å
116I97.8Very high95.5Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-65-46.4176.5-62.1160.5000110.2V64 V66 I91 L112 L113 D114 D118 V119 V120 L147 I151V64-I116 HydrophobicContact CG1-CG2 4.43Å; V66-I116 HydrophobicContact CB-CD1 4.46Å; V66-I116 HydrophobicContact CG1-CD1 3.44Å; V66-I116 VanDerWaalsContact CG1-CD1 3.44Å; V66-I116 HydrophobicContact CG1-CG1 4.01Å; V66-I116 HydrophobicContact CG2-CD1 4.15Å; V66-I116 HydrophobicContact CG2-CG1 3.94Å; V66-I116 HydrophobicContact CG2-CG2 3.97Å; I91-I116 HydrophobicContact CB-CG1 4.37Å; I91-I116 HydrophobicContact CD1-CB 4.29Å; I91-I116 HydrophobicContact CD1-CG1 4.05Å; I91-I116 HydrophobicContact CG2-CG1 3.85Å; L112-I116 HydrophobicContact CB-CD1 4.17Å; L112-I116 HydrophobicContact CD2-CD1 4.07Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 HydrophobicContact CG-CG1 4.15Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.13Å; L112-I116 VanDerWaalsContact O-N 3.16Å; L113-I116 WeakPolarHBondContact O-CA 3.38Å; L113-I116 WeakPolarHBondContact O-CB 3.14Å; L113-I116 PolarHBondContact O-N 3.12Å; D114-I116 VanDerWaalsContact C-N 3.35Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3Å; I116-V119 PolarHBondContact O-N 3.47Å; I116-V120 HydrophobicContact CG2-CG2 4.3Å; I116-V120 VanDerWaalsContact O-CG2 3.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.29Å; I116-V120 PolarHBondContact O-N 3.26Å; I116-L147 HydrophobicContact CD1-CD1 4.12Å; I116-L147 HydrophobicContact CD1-CD2 3.98Å; I116-L147 HydrophobicContact CD1-CG 4.44Å; I116-I151 HydrophobicContact CD1-CD1 4.06Å; I116-I151 HydrophobicContact CG2-CD1 4.01Å; I116-I151 HydrophobicContact CG2-CG1 4.42Å
117L97.3Very high95.6Very high7 Ų749.7 Ų49.74%0.03726%0.256CS..Hα-helixtrans-68.1-33-177.7-63.2176.6000112.8L113 D114 V120 R121 Y154L113-L117 HydrophobicContact CD1-CD1 4.02Å; L113-L117 HydrophobicContact CD1-CD2 4.28Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CD2-CD1 4.36Å; L113-L117 HydrophobicContact CG-CD1 3.71Å; L113-L117 HydrophobicContact CG-CG 4.15Å; L113-L117 VanDerWaalsContact O-CG 3.25Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 3.19Å; D114-L117 PolarHBondContact O-N 3.01Å; L117-V120 PolarHBondContact O-N 3.19Å; L117-R121 VanDerWaalsContact O-CB 3.26Å; L117-R121 WeakPolarHBondContact O-CB 3.46Å; L117-R121 PolarHBondContact O-N 3.48Å; L117-Y154 HydrophobicContact CB-CE1 4.26Å; L117-Y154 HydrophobicContact CD1-CD1 3.72Å; L117-Y154 HydrophobicContact CD1-CD2 3.7Å; L117-Y154 HydrophobicContact CD1-CE1 3.48Å; L117-Y154 VanDerWaalsContact CD1-CE1 3.48Å; L117-Y154 HydrophobicContact CD1-CE2 3.47Å; L117-Y154 VanDerWaalsContact CD1-CE2 3.47Å; L117-Y154 HydrophobicContact CD1-CG 3.81Å; L117-Y154 HydrophobicContact CD2-CD1 3.14Å; L117-Y154 HydrophobicContact CD2-CE1 3.34Å; L117-Y154 HydrophobicContact CD2-CG 3.81Å; L117-Y154 HydrophobicContact CG-CD1 3.98Å; L117-Y154 HydrophobicContact CG-CE1 3.82Å; L117-Y154 HydrophobicContact CG-CG 4.42Å
118D97.7Very high95.7Very high65 Ų6554 Ų5435%0.34828%0.277SS..Hα-helixtrans-61.8-43.9172.4-174.553.6000111.9D114 I116 R121 K122D114-D118 PolarHBondContact O-N 3.32Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3Å; D118-R121 PolarHBondContact O-N 3.3Å; D118-K122 WeakPolarHBondContact O-CG 3.26Å; D118-K122 PolarHBondContact O-N 2.96Å; D118-K122 VanDerWaalsContact OD2-CE 3.28Å; D118-K122 WeakPolarHBondContact OD2-CE 3.17Å; D118-K122 IonicContact OD2-NZ 3.53Å; D118-K122 PolarHBondContact OD2-NZ 3.04Å
119V98Very high95.8Very high15 Ų1556 Ų569%0.09129%0.292CS..Hα-helixtrans-69.7-41.7177.1178.60000111.4V64 I91 S115 I116 R121 K122 E123V64-V119 HydrophobicContact CG1-CB 4.49Å; V64-V119 HydrophobicContact CG1-CG1 4.16Å; V64-V119 HydrophobicContact CG2-CG1 4Å; I91-V119 HydrophobicContact CD1-CB 3.8Å; I91-V119 HydrophobicContact CD1-CG1 4.34Å; I91-V119 HydrophobicContact CD1-CG2 3.6Å; I91-V119 HydrophobicContact CG1-CG2 4.34Å; S115-V119 PolarHBondContact O-N 3.34Å; I116-V119 PolarHBondContact O-N 3.47Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.44Å; V119-K122 PolarHBondContact O-N 3.1Å; V119-E123 WeakPolarHBondContact O-CG 3.39Å; V119-E123 PolarHBondContact O-N 3.47Å
120V98.3Very high96Very high1 Ų157.8 Ų57.81%0.00630%0.302CS..Hα-helixtrans-57.5-44.5173.8168.40000110.8L7 V64 I116 L117 E123 A124 F133 L155 Y159L7-V120 HydrophobicContact CD2-CG2 3.88Å; V64-V120 HydrophobicContact CG2-CG2 4Å; I116-V120 HydrophobicContact CG2-CG2 4.3Å; I116-V120 VanDerWaalsContact O-CG2 3.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.29Å; I116-V120 PolarHBondContact O-N 3.26Å; L117-V120 PolarHBondContact O-N 3.19Å; V120-E123 PolarHBondContact O-N 3.21Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.13Å; V120-F133 HydrophobicContact CG1-CE1 3.75Å; V120-F133 HydrophobicContact CG1-CZ 4.27Å; V120-L155 HydrophobicContact CG1-CD2 3.72Å; V120-Y159 HydrophobicContact CG1-CE2 4.16Å
121R97.9Very high96.2Very high77 Ų7754.7 Ų54.729%0.29129%0.285SS..Hα-helixtrans-61.2-47.4177.7-176.9-179.1-62.3108.13.6111.5L117 D118 V119 E123 A124 E125 E158 Y159L117-R121 VanDerWaalsContact O-CB 3.26Å; L117-R121 WeakPolarHBondContact O-CB 3.46Å; L117-R121 PolarHBondContact O-N 3.48Å; D118-R121 PolarHBondContact O-N 3.3Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.44Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 3.08Å; R121-A124 WeakPolarHBondContact O-CB 3.29Å; R121-A124 PolarHBondContact O-N 3.43Å; R121-A124 VanDerWaalsContact O-N 3.16Å; R121-E125 HydrophobicContact CG-CG 4.43Å; R121-E125 WeakPolarHBondContact CG-OE1 3.4Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 WeakPolarHBondContact O-CG 3.5Å; R121-E125 PolarHBondContact O-N 3.33Å; R121-E158 IonicContact NH2-OE1 2.81Å; R121-Y159 WeakPolarHBondContact CA-OH 3.43Å
122K97.5Very high96.4Very high80 Ų8047.2 Ų47.235%0.34825%0.25SC..Hα-helixtrans-59-43.6175.8-72.7165.7177.6165.80112.1D118 V119 A124 E125 N126D118-K122 WeakPolarHBondContact O-CG 3.26Å; D118-K122 PolarHBondContact O-N 2.96Å; D118-K122 VanDerWaalsContact OD2-CE 3.28Å; D118-K122 WeakPolarHBondContact OD2-CE 3.17Å; D118-K122 IonicContact OD2-NZ 3.53Å; D118-K122 PolarHBondContact OD2-NZ 3.04Å; V119-K122 PolarHBondContact O-N 3.1Å; K122-A124 VanDerWaalsContact C-N 3.34Å; K122-E125 PolarHBondContact O-N 3.47Å; K122-N126 WeakPolarHBondContact O-CB 3.39Å; K122-N126 PolarHBondContact O-N 3.27Å; K122-N126 PolarHBondContact O-ND2 2.7Å; K122-N126 VanDerWaalsContact O-ND2 3.1Å
123E97.1Very high96.5Very high18 Ų1846.2 Ų46.28%0.08425%0.245CC..Hα-helixtrans-64.8-37.6176.2-73.3-62.9133.200112.2I5 V64 V119 V120 R121 N126 C127I5-E123 HydrophobicContact CD1-CB 3.73Å; I5-E123 HydrophobicContact CG1-CB 4.15Å; I5-E123 HydrophobicContact CG2-CB 4.27Å; V64-E123 HydrophobicContact CG2-CG 4.46Å; V119-E123 WeakPolarHBondContact O-CG 3.39Å; V119-E123 PolarHBondContact O-N 3.47Å; V120-E123 PolarHBondContact O-N 3.21Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 3.08Å; E123-N126 PolarHBondContact O-N 2.9Å; E123-C127 PolarHBondContact O-N 3.32Å; E123-C127 PolarHBondContact O-SG 3.2Å
124A96.7Very high96.7Very high14 Ų1445.8 Ų45.812%0.11624%0.243CC..Hα-helixtrans-68.1-42.2176.200000112.3I5 V120 R121 K122 N126 C127 L130 Y159I5-A124 HydrophobicContact CD1-CB 4Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.13Å; R121-A124 WeakPolarHBondContact O-CB 3.29Å; R121-A124 PolarHBondContact O-N 3.43Å; R121-A124 VanDerWaalsContact O-N 3.16Å; K122-A124 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 3.3Å; A124-C127 WeakPolarHBondContact O-CB 3.48Å; A124-C127 PolarHBondContact O-N 3.45Å; A124-L130 HydrophobicContact CB-CD2 4.08Å; A124-Y159 HydrophobicContact CB-CE1 4Å
125E96.1Very high96.8Very high141 Ų14139.8 Ų39.866%0.65921%0.21SC*.Hα-helixtrans-63.8-30174-72.4172.6179.100112.1R121 K122 C127R121-E125 HydrophobicContact CG-CG 4.43Å; R121-E125 WeakPolarHBondContact CG-OE1 3.4Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 WeakPolarHBondContact O-CG 3.5Å; R121-E125 PolarHBondContact O-N 3.33Å; K122-E125 PolarHBondContact O-N 3.47Å; E125-C127 PolarHBondContact O-N 3.4Å
126N94.5Very high96.9Very high84 Ų8436.8 Ų36.845%0.44919%0.189SC..THydrogen-bonded Turntrans-79.12.7173.7-71.2-29.2000113.8R62 K122 E123 A124R62-N126 PolarHBondContact NH1-O 3.48Å; K122-N126 WeakPolarHBondContact O-CB 3.39Å; K122-N126 PolarHBondContact O-N 3.27Å; K122-N126 PolarHBondContact O-ND2 2.7Å; K122-N126 VanDerWaalsContact O-ND2 3.1Å; E123-N126 PolarHBondContact O-N 2.9Å; A124-N126 PolarHBondContact O-N 3.3Å
127C95.6Very high96.9Very high15 Ų1536.9 Ų36.910%0.10119%0.19CC..  trans-96.7135.6173.9-63.70000110.3E3 R62 E123 A124 E125 C129 L130E3-C127 HydrophobicContact CB-CB 3.97Å; E3-C127 HydrophobicContact CG-CB 4.32Å; R62-C127 PolarHBondContact NH1-SG 3.35Å; R62-C127 VanDerWaalsContact NH1-SG 3.43Å; E123-C127 PolarHBondContact O-N 3.32Å; E123-C127 PolarHBondContact O-SG 3.2Å; A124-C127 WeakPolarHBondContact O-CB 3.48Å; A124-C127 PolarHBondContact O-N 3.45Å; E125-C127 PolarHBondContact O-N 3.4Å; C127-C129 VanDerWaalsContact C-N 3.33Å; C127-L130 HydrophobicContact CB-CB 4.25Å
128D93.9Very high96.8Very high130 Ų13037.4 Ų37.470%0.69519%0.194SC*.SBendtrans-69-35.6173.2-68.5-31.9000111.2E3E3-D128 PolarHBondContact OE2-N 2.81Å
129C93.9Very high96.8Very high67 Ų6734.5 Ų34.545%0.45318%0.179SC..SBendtrans-156.691.9176.2173.40000110M1 R2 E3 C127 Q131M1-C129 VanDerWaalsContact O-CB 3.25Å; M1-C129 WeakPolarHBondContact O-CB 3.3Å; R2-C129 WeakPolarHBondContact CA-O 3.4Å; E3-C129 PolarHBondContact N-O 3.26Å; E3-C129 WeakPolarHBondContact OE2-CA 3.15Å; E3-C129 PolarHBondContact OE2-N 3.14Å; C127-C129 VanDerWaalsContact C-N 3.33Å; C129-Q131 PolarHBondContact O-N 2.91Å; C129-Q131 VanDerWaalsContact O-N 3.16Å
130L96.4Very high96.5Very high40 Ų4033.9 Ų33.921%0.20918%0.175CC..EExtended strand (participates in β ladder)trans-57.2118.2176.2179.465.8000111I5 A124 C127 F133 Y159 A162I5-L130 HydrophobicContact CD1-CD1 3.77Å; I5-L130 HydrophobicContact CG1-CD1 4.09Å; A124-L130 HydrophobicContact CB-CD2 4.08Å; C127-L130 HydrophobicContact CB-CB 4.25Å; L130-F133 HydrophobicContact CD1-CZ 4.45Å; L130-F133 HydrophobicContact CD2-CE1 4.4Å; L130-F133 HydrophobicContact CD2-CE2 3.96Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; L130-Y159 HydrophobicContact CD2-CD1 3.98Å; L130-Y159 HydrophobicContact CD2-CE1 4.37Å; L130-Y159 HydrophobicContact CD2-CG 4.44Å; L130-A162 HydrophobicContact CD2-CB 4.11Å; L130-A162 HydrophobicContact CG-CB 4.33Å
131Q94.9Very high96.2Very high15 Ų1534.6 Ų34.67%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-84.7-37.6174.9-167.3-174.5-69.900111.8R2 E3 I4 C129 M163 D249 L250R2-Q131 HydrophobicContact CB-CB 4Å; R2-Q131 HydrophobicContact CB-CG 4.17Å; E3-Q131 VanDerWaalsContact O-CB 3.24Å; E3-Q131 WeakPolarHBondContact O-CB 3.37Å; E3-Q131 PolarHBondContact O-N 2.75Å; I4-Q131 HydrophobicContact CG1-CB 4.25Å; C129-Q131 PolarHBondContact O-N 2.91Å; C129-Q131 VanDerWaalsContact O-N 3.16Å; Q131-M163 PolarHBondContact O-N 3.45Å; Q131-D249 HydrophobicContact CG-CB 4.37Å; Q131-L250 VanDerWaalsContact NE2-CB 3.3Å
132G97.2Very high95.9Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans166.9-178.9-168.400000115.3I4 I5 M163I4-G132 WeakPolarHBondContact CA-O 3.48Å; I5-G132 PolarHBondContact N-O 3.3Å; I5-G132 VanDerWaalsContact N-O 3.14Å; G132-M163 CarbonylContact C-O 3.55Å; G132-M163 WeakPolarHBondContact CA-O 3.17Å
133F98.4Very high95.9Very high0 Ų027.6 Ų27.60%016%0.155CC..EExtended strand (participates in β ladder)trans-117.7136.3178.5-58-82.3000109.5I5 L7 V120 L130 L155 Y159 A162 M163 V164 A165I5-F133 HydrophobicContact CB-CD1 3.89Å; I5-F133 HydrophobicContact CB-CE1 4.15Å; I5-F133 HydrophobicContact CD1-CD1 4.41Å; I5-F133 HydrophobicContact CD1-CE1 3.8Å; I5-F133 HydrophobicContact CG2-CD1 4.33Å; I5-F133 CarbonylContact O-C 3.54Å; I5-F133 WeakPolarHBondContact O-CA 3.41Å; L7-F133 HydrophobicContact CD1-CB 4.14Å; L7-F133 HydrophobicContact CD1-CD1 3.75Å; L7-F133 HydrophobicContact CD1-CG 4.38Å; V120-F133 HydrophobicContact CG1-CE1 3.75Å; V120-F133 HydrophobicContact CG1-CZ 4.27Å; L130-F133 HydrophobicContact CD1-CZ 4.45Å; L130-F133 HydrophobicContact CD2-CE1 4.4Å; L130-F133 HydrophobicContact CD2-CE2 3.96Å; L130-F133 HydrophobicContact CD2-CZ 3.63Å; F133-L155 HydrophobicContact CB-CD1 3.85Å; F133-L155 HydrophobicContact CD1-CD1 4.13Å; F133-L155 HydrophobicContact CD1-CD2 3.91Å; F133-L155 HydrophobicContact CD2-CB 4.24Å; F133-L155 HydrophobicContact CD2-CD1 4.14Å; F133-L155 HydrophobicContact CD2-CD2 4.04Å; F133-L155 HydrophobicContact CD2-CG 4.37Å; F133-L155 HydrophobicContact CE1-CD2 3.75Å; F133-L155 HydrophobicContact CE2-CB 4.46Å; F133-L155 HydrophobicContact CE2-CD2 3.89Å; F133-L155 HydrophobicContact CG-CD1 3.77Å; F133-L155 HydrophobicContact CG-CD2 4.04Å; F133-L155 HydrophobicContact CG-CG 4.38Å; F133-L155 HydrophobicContact CZ-CD2 3.73Å; F133-Y159 AromaticContact CE2-CD2 3.64Å; F133-Y159 HydrophobicContact CE2-CD2 3.64Å; F133-Y159 HydrophobicContact CE2-CE2 4.41Å; F133-Y159 AromaticContact CE2-CG 3.73Å; F133-Y159 HydrophobicContact CE2-CG 3.73Å; F133-Y159 HydrophobicContact CZ-CD1 4.34Å; F133-Y159 AromaticContact CZ-CD2 3.47Å; F133-Y159 HydrophobicContact CZ-CD2 3.47Å; F133-Y159 VanDerWaalsContact CZ-CD2 3.47Å; F133-Y159 AromaticContact CZ-CE2 3.79Å; F133-Y159 HydrophobicContact CZ-CE2 3.79Å; F133-Y159 AromaticContact CZ-CG 3.78Å; F133-Y159 HydrophobicContact CZ-CG 3.78Å; F133-A162 HydrophobicContact CD2-CB 4.17Å; F133-A162 HydrophobicContact CE2-CB 3.79Å; F133-M163 PolarHBondContact N-O 3.03Å; F133-V164 HydrophobicContact CD2-CG2 4.4Å; F133-A165 PolarHBondContact O-N 2.99Å
134Q98.2Very high95.8Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-108.6110.1170.7-176.4-179.3-50.800108.9I4 I5 C6 L7 Y50 A165 F167I4-Q134 HydrophobicContact CG2-CB 3.87Å; I5-Q134 PolarHBondContact O-N 3.15Å; C6-Q134 CarbonylContact C-O 3.51Å; C6-Q134 VanDerWaalsContact CA-O 3.29Å; C6-Q134 WeakPolarHBondContact CA-O 3.29Å; L7-Q134 PolarHBondContact N-O 2.95Å; Y50-Q134 PolarHBondContact OH-OE1 3.17Å; Q134-A165 CarbonylContact C-O 3.46Å; Q134-A165 VanDerWaalsContact CA-O 3.32Å; Q134-A165 WeakPolarHBondContact CA-O 2.9Å; Q134-F167 HydrophobicContact CG-CD2 3.72Å; Q134-F167 HydrophobicContact CG-CE2 3.68Å
135V98.5Very high95.8Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans-103.2125.6-175.2-174.30000110.6L7 I9 I152 L155 V164 A165 S166 F167L7-V135 HydrophobicContact CB-CG2 4.36Å; I9-V135 HydrophobicContact CD1-CG1 3.61Å; I9-V135 HydrophobicContact CG1-CG1 4.46Å; V135-I152 HydrophobicContact CB-CD1 4.1Å; V135-I152 HydrophobicContact CB-CG1 4.11Å; V135-I152 HydrophobicContact CG1-CD1 3.9Å; V135-I152 HydrophobicContact CG1-CG1 4Å; V135-I152 HydrophobicContact CG2-CD1 4.4Å; V135-I152 HydrophobicContact CG2-CG1 3.87Å; V135-L155 HydrophobicContact CG2-CD1 4.13Å; V135-V164 HydrophobicContact CG2-CG1 4.37Å; V135-A165 PolarHBondContact N-O 2.94Å; V135-S166 CarbonylContact O-C 3.18Å; V135-S166 WeakPolarHBondContact O-CA 3.27Å; V135-F167 PolarHBondContact O-N 2.89Å
136L98.4Very high95.8Very high3 Ų319.6 Ų19.62%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-113.2111.9-177.3-73.3153.8000109.4L7 Q8 I9 G13 V16 F167 M233L7-L136 WeakPolarHBondContact O-CB 3.49Å; L7-L136 PolarHBondContact O-N 3.42Å; Q8-L136 HydrophobicContact CG-CB 4.37Å; Q8-L136 HydrophobicContact CG-CD1 3.84Å; I9-L136 PolarHBondContact N-O 3.1Å; G13-L136 WeakPolarHBondContact CA-O 3.39Å; V16-L136 HydrophobicContact CG1-CD2 4.21Å; L136-F167 HydrophobicContact CD2-CB 3.67Å; L136-F167 HydrophobicContact CD2-CG 4.26Å; L136-M233 HydrophobicContact CD1-CE 3.67Å; L136-M233 HydrophobicContact CD2-CE 3.08Å; L136-M233 HydrophobicContact CD2-SD 3.35Å; L136-M233 WeakPolarHBondContact CD2-SD 3.35Å; L136-M233 HydrophobicContact CG-CE 3.88Å
137H98Very high95.9Very high2 Ų215.6 Ų15.61%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-155.8160.2-173.572.3141.5000113I9 L139 G144 S166 F167 V169I9-H137 HydrophobicContact CB-CB 4.32Å; H137-L139 VanDerWaalsContact CE1-CD2 3.4Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.26Å; H137-G144 WeakPolarHBondContact CB-O 3.27Å; H137-G144 PolarHBondContact ND1-O 3.24Å; H137-S166 PolarHBondContact CD2-OG 3.17Å; H137-S166 PolarHBondContact NE2-OG 3.24Å; H137-F167 PolarHBondContact N-O 3.38Å; H137-V169 PolarHBondContact O-N 2.79Å
138S96.3Very high96Very high18 Ų1814.9 Ų14.913%0.1269%0.09CC..EExtended strand (participates in β ladder)trans-95.3138.3169.7176.70000110G140 G141 G144 S145 V169S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact OG-N 3.46Å; S138-G141 PolarHBondContact OG-N 3.44Å; S138-G144 CarbonylContact O-C 3.49Å; S138-S145 WeakPolarHBondContact O-CA 3.19Å; S138-S145 WeakPolarHBondContact O-CB 3.42Å; S138-S145 PolarHBondContact O-N 2.9Å; S138-V169 WeakPolarHBondContact CA-O 3.23Å; S138-V169 PolarHBondContact OG-O 2.98Å
139L96.3Very high96.2Very high5 Ų58.7 Ų8.73%0.0266%0.057CC..SBendtrans-82.2-14.6174.3-55.2-176.2000112.4H137 S145 V169 T170 N184 T185 A188 L192H137-L139 VanDerWaalsContact CE1-CD2 3.4Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.26Å; L139-S145 VanDerWaalsContact O-CB 3.31Å; L139-S145 WeakPolarHBondContact O-CB 3.26Å; L139-V169 PolarHBondContact N-O 2.83Å; L139-T170 HydrophobicContact CD1-CG2 3.67Å; L139-T170 HydrophobicContact CG-CG2 4.48Å; L139-N184 CarbonylContact O-C 3.56Å; L139-N184 WeakPolarHBondContact O-CB 3.35Å; L139-T185 HydrophobicContact CB-CG2 4.06Å; L139-T185 VanDerWaalsContact O-CA 3.26Å; L139-T185 WeakPolarHBondContact O-CA 3.42Å; L139-T185 PolarHBondContact O-N 3.42Å; L139-T185 VanDerWaalsContact O-N 3.12Å; L139-T185 PolarHBondContact O-OG1 3.45Å; L139-A188 HydrophobicContact CD2-CB 4Å; L139-L192 HydrophobicContact CD1-CD1 4.13Å; L139-L192 HydrophobicContact CD2-CD1 3.61Å
140G92.9Very high96.4Very high2 Ų29.7 Ų9.72%0.0215%0.051CC..SBendtrans-95.3-23-179.200000115.2S138 E181 N184S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact OG-N 3.46Å; G140-E181 WeakPolarHBondContact O-CG 3.5Å; G140-N184 PolarHBondContact O-ND2 2.9Å
141G91.6Very high96.5Very high15 Ų157.8 Ų7.816%0.1554%0.041CC..SBendtrans-99.2145.3-175.700000113.2S138 T143 G144 S145S138-G141 PolarHBondContact OG-N 3.44Å; G141-T143 PolarHBondContact O-N 3.42Å; G141-G144 PolarHBondContact O-N 3.47Å; G141-S145 WeakPolarHBondContact O-CB 3.43Å; G141-S145 PolarHBondContact O-N 3.13Å; G141-S145 PolarHBondContact O-OG 2.95Å
142G92.4Very high96.6Very high1 Ų17 Ų71%0.014%0.038CC..Hα-helixtrans-59.3-43.6-169.400000115.5T97 G146T97-G142 WeakPolarHBondContact OG1-CA 3.26Å; G142-G146 WeakPolarHBondContact O-CA 3.46Å; G142-G146 PolarHBondContact O-N 3.08Å
143T95.7Very high96.6Very high10 Ų107.3 Ų7.36%0.0614%0.04CC..Iπ-helixtrans-71.2-49.3178-50.40000111.6I9 L68 T97 G141 S145 L147 G148I9-T143 HydrophobicContact CG2-CG2 4.35Å; L68-T143 HydrophobicContact CB-CG2 4.25Å; L68-T143 HydrophobicContact CD1-CG2 4.01Å; L68-T143 HydrophobicContact CG-CG2 3.93Å; T97-T143 PolarHBondContact OG1-N 3.09Å; T97-T143 PolarHBondContact OG1-OG1 3.09Å; G141-T143 PolarHBondContact O-N 3.42Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 2.96Å; T143-L147 HydrophobicContact CG2-CB 4.48Å; T143-L147 HydrophobicContact CG2-CD2 4.21Å; T143-L147 WeakPolarHBondContact O-CB 3.43Å; T143-L147 PolarHBondContact O-N 3.32Å; T143-G148 PolarHBondContact O-N 3.07Å; T143-G148 VanDerWaalsContact O-N 3.13Å
144G95.5Very high96.5Very high4 Ų49.9 Ų9.94%0.0415%0.05CC..Iπ-helixtrans-64-40.4-179.600000112.1H137 S138 G141 G148H137-G144 WeakPolarHBondContact CB-O 3.27Å; H137-G144 PolarHBondContact ND1-O 3.24Å; S138-G144 CarbonylContact O-C 3.49Å; G141-G144 PolarHBondContact O-N 3.47Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.21Å; G144-G148 PolarHBondContact O-N 3.42Å
145S96.7Very high96.5Very high0 Ų09.9 Ų9.90%05%0.05CC..Iπ-helixtrans-81-52.4-175.372.70000110.7W101 S138 L139 G141 T143 T149W101-S145 VanDerWaalsContact CD1-OG 3.25Å; W101-S145 PolarHBondContact NE1-O 3.12Å; S138-S145 WeakPolarHBondContact O-CA 3.19Å; S138-S145 WeakPolarHBondContact O-CB 3.42Å; S138-S145 PolarHBondContact O-N 2.9Å; L139-S145 VanDerWaalsContact O-CB 3.31Å; L139-S145 WeakPolarHBondContact O-CB 3.26Å; G141-S145 WeakPolarHBondContact O-CB 3.43Å; G141-S145 PolarHBondContact O-N 3.13Å; G141-S145 PolarHBondContact O-OG 2.95Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 2.96Å; S145-T149 WeakPolarHBondContact O-CB 3.49Å; S145-T149 VanDerWaalsContact O-CG2 3.22Å; S145-T149 WeakPolarHBondContact O-CG2 3.32Å; S145-T149 PolarHBondContact O-N 3.14Å; S145-T149 PolarHBondContact O-OG1 2.99Å
146G96.9Very high96.4Very high0 Ų012.4 Ų12.40%06%0.059CC..Iπ-helixtrans-74-67.2-175.700000112.1W101 F105 G142 G148 T149 R150W101-G146 VanDerWaalsContact CD1-CA 3.48Å; F105-G146 WeakPolarHBondContact CD2-O 3.49Å; G142-G146 WeakPolarHBondContact O-CA 3.46Å; G142-G146 PolarHBondContact O-N 3.08Å; G146-G148 VanDerWaalsContact C-N 3.27Å; G146-G148 PolarHBondContact O-N 3.12Å; G146-T149 PolarHBondContact O-N 2.9Å; G146-T149 PolarHBondContact O-OG1 3.41Å; G146-R150 WeakPolarHBondContact O-CB 3.43Å; G146-R150 PolarHBondContact O-N 3.38Å
147L97.2Very high96.3Very high0 Ų019.2 Ų19.20%09%0.091CC..Iπ-helixtrans-62-39.4-179.4176.557.8000111I9 V66 L68 G104 G109 I116 T143 T149 R150 I151I9-L147 HydrophobicContact CG2-CG 4.41Å; V66-L147 HydrophobicContact CG1-CD2 3.67Å; L68-L147 HydrophobicContact CD1-CD2 4.26Å; L68-L147 HydrophobicContact CD2-CD2 4.23Å; L68-L147 HydrophobicContact CG-CD2 4.05Å; G104-L147 WeakPolarHBondContact O-CA 3.33Å; G104-L147 WeakPolarHBondContact O-CB 3.49Å; G104-L147 PolarHBondContact O-N 2.89Å; G104-L147 VanDerWaalsContact O-N 3.11Å; G109-L147 WeakPolarHBondContact O-CD1 3.21Å; I116-L147 HydrophobicContact CD1-CD1 4.12Å; I116-L147 HydrophobicContact CD1-CD2 3.98Å; I116-L147 HydrophobicContact CD1-CG 4.44Å; T143-L147 HydrophobicContact CG2-CB 4.48Å; T143-L147 HydrophobicContact CG2-CD2 4.21Å; T143-L147 WeakPolarHBondContact O-CB 3.43Å; T143-L147 PolarHBondContact O-N 3.32Å; L147-T149 PolarHBondContact O-N 2.59Å; L147-R150 PolarHBondContact O-N 2.92Å; L147-I151 HydrophobicContact CD1-CD1 3.74Å; L147-I151 HydrophobicContact CD1-CG1 4.03Å; L147-I151 HydrophobicContact CG-CD1 3.71Å; L147-I151 HydrophobicContact CG-CG1 4.46Å; L147-I151 WeakPolarHBondContact O-CD1 3.42Å; L147-I151 VanDerWaalsContact O-CG1 3.3Å; L147-I151 WeakPolarHBondContact O-CG1 2.96Å; L147-I151 PolarHBondContact O-N 3.36Å
148G97.7Very high96.3Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-61.1-44.2178.800000113.7T143 G144 G146 I151 I152T143-G148 PolarHBondContact O-N 3.07Å; T143-G148 VanDerWaalsContact O-N 3.13Å; G144-G148 VanDerWaalsContact O-CA 3.26Å; G144-G148 WeakPolarHBondContact O-CA 3.21Å; G144-G148 PolarHBondContact O-N 3.42Å; G146-G148 VanDerWaalsContact C-N 3.27Å; G146-G148 PolarHBondContact O-N 3.12Å; G148-I151 PolarHBondContact O-N 2.85Å; G148-I152 WeakPolarHBondContact O-CG1 3.29Å; G148-I152 PolarHBondContact O-N 2.88Å
149T97.9Very high96.3Very high0 Ų024.2 Ų24.20%011%0.111CC..Hα-helixtrans-74.9-31.1177.458.90000112.5W101 S145 G146 L147 I151 I152 S153 A188 Q191 L192W101-T149 PolarHBondContact NE1-OG1 3.06Å; S145-T149 WeakPolarHBondContact O-CB 3.49Å; S145-T149 VanDerWaalsContact O-CG2 3.22Å; S145-T149 WeakPolarHBondContact O-CG2 3.32Å; S145-T149 PolarHBondContact O-N 3.14Å; S145-T149 PolarHBondContact O-OG1 2.99Å; G146-T149 PolarHBondContact O-N 2.9Å; G146-T149 PolarHBondContact O-OG1 3.41Å; L147-T149 PolarHBondContact O-N 2.59Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.97Å; T149-I152 PolarHBondContact O-N 3.08Å; T149-S153 PolarHBondContact O-N 3.09Å; T149-S153 PolarHBondContact O-OG 3.32Å; T149-S153 VanDerWaalsContact O-OG 3.04Å; T149-A188 HydrophobicContact CG2-CB 3.72Å; T149-A188 WeakPolarHBondContact CG2-O 3.49Å; T149-Q191 HydrophobicContact CG2-CB 4.12Å; T149-L192 HydrophobicContact CG2-CG 4.28Å
150R96.9Very high96.3Very high88 Ų8827.7 Ų27.733%0.33213%0.134SC..Hα-helixtrans-59.7-44.6172-173.363.7-177.1165.94.2111.7F105 L113 G146 L147 S153 Y154F105-R150 HydrophobicContact CD2-CB 3.65Å; F105-R150 HydrophobicContact CD2-CG 4.38Å; F105-R150 HydrophobicContact CE2-CB 3.78Å; F105-R150 HydrophobicContact CE2-CG 4.34Å; F105-R150 HydrophobicContact CG-CB 4.35Å; L113-R150 HydrophobicContact CD2-CG 4.17Å; G146-R150 WeakPolarHBondContact O-CB 3.43Å; G146-R150 PolarHBondContact O-N 3.38Å; L147-R150 PolarHBondContact O-N 2.92Å; R150-S153 PolarHBondContact O-N 3.06Å; R150-Y154 PolarHBondContact O-N 3.08Å
151I98.1Very high96.4Very high0 Ų034.3 Ų34.30%017%0.169CC..Hα-helixtrans-62.8-45.2175.7-70.5159.8000110.3L7 I9 L113 I116 L147 G148 T149 S153 Y154 L155L7-I151 HydrophobicContact CD2-CG2 3.53Å; I9-I151 HydrophobicContact CD1-CB 4.38Å; I9-I151 HydrophobicContact CD1-CD1 3.73Å; I9-I151 HydrophobicContact CD1-CG2 4.42Å; L113-I151 HydrophobicContact CD1-CG1 3.83Å; I116-I151 HydrophobicContact CD1-CD1 4.06Å; I116-I151 HydrophobicContact CG2-CD1 4.01Å; I116-I151 HydrophobicContact CG2-CG1 4.42Å; L147-I151 HydrophobicContact CD1-CD1 3.74Å; L147-I151 HydrophobicContact CD1-CG1 4.03Å; L147-I151 HydrophobicContact CG-CD1 3.71Å; L147-I151 HydrophobicContact CG-CG1 4.46Å; L147-I151 WeakPolarHBondContact O-CD1 3.42Å; L147-I151 VanDerWaalsContact O-CG1 3.3Å; L147-I151 WeakPolarHBondContact O-CG1 2.96Å; L147-I151 PolarHBondContact O-N 3.36Å; G148-I151 PolarHBondContact O-N 2.85Å; T149-I151 VanDerWaalsContact C-N 3.32Å; T149-I151 PolarHBondContact O-N 2.97Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 3.49Å; I151-Y154 PolarHBondContact O-N 2.85Å; I151-L155 HydrophobicContact CG2-CD1 3.88Å; I151-L155 HydrophobicContact CG2-CG 4.06Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.24Å
152I98.3Very high96.6Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-56.5-45.2176.5-73.7168.5000111.6V135 G148 T149 Y154 L155 R156 V164 L192V135-I152 HydrophobicContact CB-CD1 4.1Å; V135-I152 HydrophobicContact CB-CG1 4.11Å; V135-I152 HydrophobicContact CG1-CD1 3.9Å; V135-I152 HydrophobicContact CG1-CG1 4Å; V135-I152 HydrophobicContact CG2-CD1 4.4Å; V135-I152 HydrophobicContact CG2-CG1 3.87Å; G148-I152 WeakPolarHBondContact O-CG1 3.29Å; G148-I152 PolarHBondContact O-N 2.88Å; T149-I152 PolarHBondContact O-N 3.08Å; I152-Y154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 2.65Å; I152-R156 PolarHBondContact O-N 2.87Å; I152-R156 VanDerWaalsContact O-N 3.08Å; I152-V164 HydrophobicContact CG1-CG1 4.21Å; I152-V164 HydrophobicContact CG2-CG1 4.02Å; I152-L192 HydrophobicContact CD1-CD2 3.52Å; I152-L192 HydrophobicContact CG2-CD2 4.46Å
153S97Very high96.9Very high6 Ų634.2 Ų34.24%0.04217%0.165CC..Hα-helixtrans-62-43.1177.1-530000111.6T149 R150 I151 R156 E157 Q191 S195T149-S153 PolarHBondContact O-N 3.09Å; T149-S153 PolarHBondContact O-OG 3.32Å; T149-S153 VanDerWaalsContact O-OG 3.04Å; R150-S153 PolarHBondContact O-N 3.06Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 3.49Å; S153-R156 WeakPolarHBondContact O-CB 3.2Å; S153-R156 PolarHBondContact O-N 3.25Å; S153-E157 WeakPolarHBondContact O-CG 3.48Å; S153-E157 PolarHBondContact O-N 2.81Å; S153-Q191 PolarHBondContact OG-OE1 3.49Å; S153-S195 PolarHBondContact OG-OG 2.81Å
154Y96.9Very high97Very high54 Ų5433.8 Ų33.821%0.21216%0.162CC..Hα-helixtrans-64.7-44.6175.7-175.5-85.4000112.7L117 R150 I151 I152 R156 E157 E158L117-Y154 HydrophobicContact CB-CE1 4.26Å; L117-Y154 HydrophobicContact CD1-CD1 3.72Å; L117-Y154 HydrophobicContact CD1-CD2 3.7Å; L117-Y154 HydrophobicContact CD1-CE1 3.48Å; L117-Y154 VanDerWaalsContact CD1-CE1 3.48Å; L117-Y154 HydrophobicContact CD1-CE2 3.47Å; L117-Y154 VanDerWaalsContact CD1-CE2 3.47Å; L117-Y154 HydrophobicContact CD1-CG 3.81Å; L117-Y154 HydrophobicContact CD2-CD1 3.14Å; L117-Y154 HydrophobicContact CD2-CE1 3.34Å; L117-Y154 HydrophobicContact CD2-CG 3.81Å; L117-Y154 HydrophobicContact CG-CD1 3.98Å; L117-Y154 HydrophobicContact CG-CE1 3.82Å; L117-Y154 HydrophobicContact CG-CG 4.42Å; R150-Y154 PolarHBondContact O-N 3.08Å; I151-Y154 PolarHBondContact O-N 2.85Å; I152-Y154 PolarHBondContact O-N 3.37Å; Y154-R156 PolarHBondContact O-N 3.35Å; Y154-E157 PolarHBondContact O-N 2.93Å; Y154-E158 HydrophobicContact CD1-CB 4.24Å; Y154-E158 HydrophobicContact CD1-CG 4.47Å; Y154-E158 HydrophobicContact CE1-CB 3.77Å; Y154-E158 HydrophobicContact CE1-CG 3.64Å; Y154-E158 HydrophobicContact CE2-CG 4.33Å; Y154-E158 PolarHBondContact O-N 2.9Å; Y154-E158 WeakPolarHBondContact OH-CG 3.34Å; Y154-E158 PolarHBondContact OH-OE1 3.25Å
155L98Very high97.1Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-57.5-38.8178.2-70.7175.1000111.2L7 V120 F133 V135 I151 I152 Y159 V164L7-L155 HydrophobicContact CD1-CD1 4.33Å; L7-L155 HydrophobicContact CD2-CD1 4.19Å; V120-L155 HydrophobicContact CG1-CD2 3.72Å; F133-L155 HydrophobicContact CB-CD1 3.85Å; F133-L155 HydrophobicContact CD1-CD1 4.13Å; F133-L155 HydrophobicContact CD1-CD2 3.91Å; F133-L155 HydrophobicContact CD2-CB 4.24Å; F133-L155 HydrophobicContact CD2-CD1 4.14Å; F133-L155 HydrophobicContact CD2-CD2 4.04Å; F133-L155 HydrophobicContact CD2-CG 4.37Å; F133-L155 HydrophobicContact CE1-CD2 3.75Å; F133-L155 HydrophobicContact CE2-CB 4.46Å; F133-L155 HydrophobicContact CE2-CD2 3.89Å; F133-L155 HydrophobicContact CG-CD1 3.77Å; F133-L155 HydrophobicContact CG-CD2 4.04Å; F133-L155 HydrophobicContact CG-CG 4.38Å; F133-L155 HydrophobicContact CZ-CD2 3.73Å; V135-L155 HydrophobicContact CG2-CD1 4.13Å; I151-L155 HydrophobicContact CG2-CD1 3.88Å; I151-L155 HydrophobicContact CG2-CG 4.06Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.24Å; I152-L155 PolarHBondContact O-N 2.65Å; L155-Y159 HydrophobicContact CD2-CD2 4.12Å; L155-Y159 HydrophobicContact CD2-CE2 4.27Å; L155-Y159 CarbonylContact O-C 3.56Å; L155-Y159 WeakPolarHBondContact O-CA 3.44Å; L155-Y159 WeakPolarHBondContact O-CB 3.24Å; L155-Y159 PolarHBondContact O-N 3.04Å; L155-V164 HydrophobicContact CB-CG2 4.24Å
156R96Very high97.2Very high52 Ų5233.6 Ų33.620%0.19616%0.16CC..Hα-helixtrans-63.5-41.9174.6177.158.164.4166.324.5112.6I152 S153 Y154 P160 S195 D197I152-R156 PolarHBondContact O-N 2.87Å; I152-R156 VanDerWaalsContact O-N 3.08Å; S153-R156 WeakPolarHBondContact O-CB 3.2Å; S153-R156 PolarHBondContact O-N 3.25Å; Y154-R156 PolarHBondContact O-N 3.35Å; R156-P160 WeakPolarHBondContact O-CA 3.5Å; R156-S195 PolarHBondContact NE-O 3.22Å; R156-S195 PolarHBondContact NH2-O 2.87Å; R156-D197 IonicContact CZ-OD1 2.69Å; R156-D197 VanDerWaalsContact CZ-OD1 3.27Å; R156-D197 IonicContact CZ-OD2 3.09Å; R156-D197 VanDerWaalsContact CZ-OD2 3.25Å; R156-D197 IonicContact NH1-OD1 3.06Å; R156-D197 PolarHBondContact NH1-OD1 3.04Å; R156-D197 IonicContact NH1-OD2 3.36Å; R156-D197 PolarHBondContact NH1-OD2 2.83Å; R156-D197 IonicContact NH2-OD1 2.69Å; R156-D197 PolarHBondContact NH2-OD1 2.79Å; R156-D197 IonicContact NH2-OD2 3.08Å; R156-D197 PolarHBondContact NH2-OD2 3.45Å
157E96.1Very high97.2Very high146 Ų14633.8 Ų33.868%0.68216%0.161SC*.Hα-helixtrans-71.1-43.7-178.2-72174-169.200112.4S153 Y154S153-E157 WeakPolarHBondContact O-CG 3.48Å; S153-E157 PolarHBondContact O-N 2.81Å; Y154-E157 PolarHBondContact O-N 2.93Å
158E97Very high97.2Very high87 Ų8733.8 Ų33.841%0.40716%0.161SC..Hα-helixtrans-83.6-32.7-177.3-106.4-110.9177.900113.8R121 Y154 P160R121-E158 IonicContact NH2-OE1 2.81Å; Y154-E158 HydrophobicContact CD1-CB 4.24Å; Y154-E158 HydrophobicContact CD1-CG 4.47Å; Y154-E158 HydrophobicContact CE1-CB 3.77Å; Y154-E158 HydrophobicContact CE1-CG 3.64Å; Y154-E158 HydrophobicContact CE2-CG 4.33Å; Y154-E158 PolarHBondContact O-N 2.9Å; Y154-E158 WeakPolarHBondContact OH-CG 3.34Å; Y154-E158 PolarHBondContact OH-OE1 3.25Å; E158-P160 VanDerWaalsContact O-CD 3.31Å; E158-P160 WeakPolarHBondContact O-CD 3.39Å
159Y97.3Very high97.2Very high38 Ų3834 Ų3415%0.14916%0.162CC..  trans-122.262.7-179.8-54.4-81.3000111.2V120 R121 A124 L130 F133 L155 D161 A162V120-Y159 HydrophobicContact CG1-CE2 4.16Å; R121-Y159 WeakPolarHBondContact CA-OH 3.43Å; A124-Y159 HydrophobicContact CB-CE1 4Å; L130-Y159 HydrophobicContact CD2-CD1 3.98Å; L130-Y159 HydrophobicContact CD2-CE1 4.37Å; L130-Y159 HydrophobicContact CD2-CG 4.44Å; F133-Y159 AromaticContact CE2-CD2 3.64Å; F133-Y159 HydrophobicContact CE2-CD2 3.64Å; F133-Y159 HydrophobicContact CE2-CE2 4.41Å; F133-Y159 AromaticContact CE2-CG 3.73Å; F133-Y159 HydrophobicContact CE2-CG 3.73Å; F133-Y159 HydrophobicContact CZ-CD1 4.34Å; F133-Y159 AromaticContact CZ-CD2 3.47Å; F133-Y159 HydrophobicContact CZ-CD2 3.47Å; F133-Y159 VanDerWaalsContact CZ-CD2 3.47Å; F133-Y159 AromaticContact CZ-CE2 3.79Å; F133-Y159 HydrophobicContact CZ-CE2 3.79Å; F133-Y159 AromaticContact CZ-CG 3.78Å; F133-Y159 HydrophobicContact CZ-CG 3.78Å; L155-Y159 HydrophobicContact CD2-CD2 4.12Å; L155-Y159 HydrophobicContact CD2-CE2 4.27Å; L155-Y159 CarbonylContact O-C 3.56Å; L155-Y159 WeakPolarHBondContact O-CA 3.44Å; L155-Y159 WeakPolarHBondContact O-CB 3.24Å; L155-Y159 PolarHBondContact O-N 3.04Å; Y159-D161 PolarHBondContact O-N 2.74Å; Y159-D161 VanDerWaalsContact O-N 3.14Å; Y159-A162 WeakPolarHBondContact O-CB 3.38Å; Y159-A162 PolarHBondContact O-N 2.79Å
160P95.8Very high97Very high79 Ų7934.1 Ų34.151%0.51316%0.164SC..THydrogen-bonded Turntrans-61.7-27.2-175.125.7-35.7000113.3R156 E158R156-P160 WeakPolarHBondContact O-CA 3.5Å; E158-P160 VanDerWaalsContact O-CD 3.31Å; E158-P160 WeakPolarHBondContact O-CD 3.39Å
161D95Very high96.7Very high141 Ų14130.5 Ų30.575%0.75415%0.151SC*.THydrogen-bonded Turntrans-83.4-8.4176.5-69.6-35.7000113.5Y159 R251Y159-D161 PolarHBondContact O-N 2.74Å; Y159-D161 VanDerWaalsContact O-N 3.14Å; D161-R251 PolarHBondContact O-NH2 2.81Å
162A96.8Very high96Very high4 Ų430.6 Ų30.63%0.03315%0.152CC..SBendtrans-92.2142.6177.100000110.1L130 F133 Y159L130-A162 HydrophobicContact CD2-CB 4.11Å; L130-A162 HydrophobicContact CG-CB 4.33Å; F133-A162 HydrophobicContact CD2-CB 4.17Å; F133-A162 HydrophobicContact CE2-CB 3.79Å; Y159-A162 WeakPolarHBondContact O-CB 3.38Å; Y159-A162 PolarHBondContact O-N 2.79Å
163M97.1Very high94.7Very high10 Ų1034.1 Ų34.15%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-77.8138.2175.4-61.3-74.879.300110.9Q131 G132 F133 D197 L250 R251Q131-M163 PolarHBondContact O-N 3.45Å; G132-M163 CarbonylContact C-O 3.55Å; G132-M163 WeakPolarHBondContact CA-O 3.17Å; F133-M163 PolarHBondContact N-O 3.03Å; M163-D197 VanDerWaalsContact CA-OD2 3.27Å; M163-D197 WeakPolarHBondContact CA-OD2 3.4Å; M163-D197 HydrophobicContact CE-CB 4.48Å; M163-D197 WeakPolarHBondContact CE-OD2 3.46Å; M163-D197 HydrophobicContact SD-CB 4.27Å; M163-L250 HydrophobicContact CB-CB 3.91Å; M163-L250 HydrophobicContact CB-CD1 4.24Å; M163-L250 HydrophobicContact CG-CB 4.08Å; M163-R251 HydrophobicContact CG-CB 3.92Å; M163-R251 HydrophobicContact SD-CB 3.93Å; M163-R251 HydrophobicContact SD-CG 4.1Å
164V98.2Very high93.5Very high0 Ų039.1 Ų39.10%020%0.196CC..EExtended strand (participates in β ladder)trans-110.6106.2173.2-174.40000109.2F133 V135 I152 L155 S196 D197 E198F133-V164 HydrophobicContact CD2-CG2 4.4Å; V135-V164 HydrophobicContact CG2-CG1 4.37Å; I152-V164 HydrophobicContact CG1-CG1 4.21Å; I152-V164 HydrophobicContact CG2-CG1 4.02Å; L155-V164 HydrophobicContact CB-CG2 4.24Å; V164-S196 PolarHBondContact O-OG 2.64Å; V164-D197 PolarHBondContact N-OD2 2.92Å; V164-D197 PolarHBondContact O-N 2.78Å; V164-E198 PolarHBondContact O-N 2.85Å
165A97.8Very high92.3Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-102.8115.617600000110.4F133 Q134 V135 E198 F200 L250F133-A165 PolarHBondContact O-N 2.99Å; Q134-A165 CarbonylContact C-O 3.46Å; Q134-A165 VanDerWaalsContact CA-O 3.32Å; Q134-A165 WeakPolarHBondContact CA-O 2.9Å; V135-A165 PolarHBondContact N-O 2.94Å; A165-E198 CarbonylContact C-O 3.59Å; A165-E198 VanDerWaalsContact CA-O 3.31Å; A165-E198 WeakPolarHBondContact CA-O 3.43Å; A165-E198 HydrophobicContact CB-CB 4.12Å; A165-F200 HydrophobicContact CB-CE2 4.3Å; A165-L250 HydrophobicContact CB-CD1 4.48Å; A165-L250 HydrophobicContact CB-CD2 3.79Å
166S98.2Very high91Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-97.7132.8176.6172.70000111.5V135 H137 E198 T199 F200V135-S166 CarbonylContact O-C 3.18Å; V135-S166 WeakPolarHBondContact O-CA 3.27Å; H137-S166 PolarHBondContact CD2-OG 3.17Å; H137-S166 PolarHBondContact NE2-OG 3.24Å; S166-E198 PolarHBondContact N-O 2.65Å; S166-T199 CarbonylContact O-C 3.49Å; S166-F200 PolarHBondContact O-N 3.17Å
167F98.4Very high89.8Confident4 Ų444.8 Ų44.82%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-10593.8163.2-72.2-93000108Q134 V135 L136 H137 F200 I202 M233 A236Q134-F167 HydrophobicContact CG-CD2 3.72Å; Q134-F167 HydrophobicContact CG-CE2 3.68Å; V135-F167 PolarHBondContact O-N 2.89Å; L136-F167 HydrophobicContact CD2-CB 3.67Å; L136-F167 HydrophobicContact CD2-CG 4.26Å; H137-F167 PolarHBondContact N-O 3.38Å; F167-F200 HydrophobicContact CD1-CB 3.42Å; F167-F200 VanDerWaalsContact CD1-CB 3.42Å; F167-F200 HydrophobicContact CD1-CD2 4.15Å; F167-F200 AromaticContact CD1-CG 3.83Å; F167-F200 HydrophobicContact CD1-CG 3.83Å; F167-F200 HydrophobicContact CD2-CD2 4.18Å; F167-F200 HydrophobicContact CE1-CB 3.57Å; F167-F200 AromaticContact CE1-CD1 3.88Å; F167-F200 HydrophobicContact CE1-CD1 3.88Å; F167-F200 AromaticContact CE1-CD2 3.74Å; F167-F200 HydrophobicContact CE1-CD2 3.74Å; F167-F200 HydrophobicContact CE1-CE2 4.42Å; F167-F200 AromaticContact CE1-CG 3.44Å; F167-F200 HydrophobicContact CE1-CG 3.44Å; F167-F200 VanDerWaalsContact CE1-CG 3.44Å; F167-F200 AromaticContact CE2-CD2 3.76Å; F167-F200 HydrophobicContact CE2-CD2 3.76Å; F167-F200 HydrophobicContact CE2-CE2 4.12Å; F167-F200 HydrophobicContact CE2-CG 4.33Å; F167-F200 HydrophobicContact CG-CB 4.03Å; F167-F200 HydrophobicContact CG-CD2 4.37Å; F167-F200 HydrophobicContact CG-CG 4.44Å; F167-F200 HydrophobicContact CZ-CB 4.27Å; F167-F200 HydrophobicContact CZ-CD1 4.19Å; F167-F200 AromaticContact CZ-CD2 3.53Å; F167-F200 HydrophobicContact CZ-CD2 3.53Å; F167-F200 HydrophobicContact CZ-CE1 4.45Å; F167-F200 AromaticContact CZ-CE2 3.85Å; F167-F200 HydrophobicContact CZ-CE2 3.85Å; F167-F200 AromaticContact CZ-CG 3.72Å; F167-F200 HydrophobicContact CZ-CG 3.72Å; F167-F200 HydrophobicContact CZ-CZ 4.3Å; F167-I202 HydrophobicContact CB-CD1 4.12Å; F167-I202 HydrophobicContact CD1-CD1 4.06Å; F167-M233 HydrophobicContact CD1-CG 3.46Å; F167-M233 VanDerWaalsContact CD1-CG 3.46Å; F167-M233 HydrophobicContact CD1-SD 4.49Å; F167-M233 HydrophobicContact CE1-CB 4.2Å; F167-M233 HydrophobicContact CE1-CG 3.6Å; F167-M233 HydrophobicContact CG-CG 3.98Å; F167-M233 HydrophobicContact CZ-CG 4.24Å; F167-A236 HydrophobicContact CE1-CB 4.48Å; F167-A236 HydrophobicContact CZ-CB 4.34Å
168G97.4Very high89.2Confident0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-98.7115.6-172.900000112.2T170 F200 I202G168-T170 PolarHBondContact O-N 3.06Å; G168-F200 PolarHBondContact N-O 2.88Å; G168-F200 VanDerWaalsContact N-O 3.12Å; G168-I202 PolarHBondContact O-N 3.08Å; G168-I202 VanDerWaalsContact O-N 3.1Å
169V96.8Very high88.8Confident4 Ų438.6 Ų38.62%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-86.5106.8175.6-174.50000110.1H137 S138 L139 I202 N204 I229H137-V169 PolarHBondContact O-N 2.79Å; S138-V169 WeakPolarHBondContact CA-O 3.23Å; S138-V169 PolarHBondContact OG-O 2.98Å; L139-V169 PolarHBondContact N-O 2.83Å; V169-I202 CarbonylContact C-O 3.53Å; V169-I202 WeakPolarHBondContact CA-O 3.32Å; V169-I202 HydrophobicContact CG1-CG2 4.38Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.11Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å; V169-I229 HydrophobicContact CG1-CD1 4.45Å; V169-I229 HydrophobicContact CG2-CD1 3.89Å
170T94.6Very high88.6Confident4 Ų437.2 Ų37.23%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-75.4142.5174.251.60000112.1L139 G168 T185 I202 D203 N204 L378L139-T170 HydrophobicContact CD1-CG2 3.67Å; L139-T170 HydrophobicContact CG-CG2 4.48Å; G168-T170 PolarHBondContact O-N 3.06Å; T170-T185 HydrophobicContact CG2-CG2 4.48Å; T170-I202 PolarHBondContact N-O 2.8Å; T170-I202 PolarHBondContact OG1-O 3.36Å; T170-D203 WeakPolarHBondContact OG1-CA 3.23Å; T170-D203 WeakPolarHBondContact OG1-CB 3.4Å; T170-N204 PolarHBondContact O-N 2.69Å; T170-L378 HydrophobicContact CG2-CD1 4.19Å; T170-L378 HydrophobicContact CG2-CD2 4.12Å
171P90.7Very high88.6Confident11 Ų1134.6 Ų34.67%0.07119%0.19CC..  trans-69.8164178.928.8-34.3000112.5E181 T185P171-E181 HydrophobicContact CB-CB 3.79Å; P171-E181 HydrophobicContact CB-CG 3.87Å; P171-E181 WeakPolarHBondContact CB-OE2 3.24Å; P171-E181 HydrophobicContact CG-CB 3.88Å; P171-E181 HydrophobicContact CG-CG 4.41Å; P171-T185 VanDerWaalsContact CD-OG1 3.27Å; P171-T185 WeakPolarHBondContact CD-OG1 3.49Å; P171-T185 WeakPolarHBondContact CG-OG1 3.31Å
172S81.9Confident88.6Confident2 Ų228.5 Ų28.51%0.01416%0.158CC..  trans-127.4130.2177.41740000110.6K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.14Å; S172-K174 VanDerWaalsContact O-N 3.09Å; S172-K174 PolarHBondContact OG-N 3.38Å; S172-V175 CarbonylContact O-C 3.57Å; S172-V175 PolarHBondContact O-N 3.15Å; S172-S176 WeakPolarHBondContact O-CA 3.34Å; S172-S176 WeakPolarHBondContact O-CB 3.45Å; S172-S176 PolarHBondContact O-N 2.82Å; S172-E205 WeakPolarHBondContact OG-CA 3.46Å; S172-E205 WeakPolarHBondContact OG-CB 3.17Å
173P72.1Confident88.6Confident74 Ų7428.3 Ų28.348%0.48116%0.157SC..THydrogen-bonded Turntrans-57.6-25.6172-25.235.9000113.6
174K72.1Confident88.6Confident112 Ų11227.9 Ų27.949%0.48716%0.155SC..THydrogen-bonded Turntrans-79.1-22.7179.6-62.9175-179.3153.20113S172 E205 D209S172-K174 PolarHBondContact O-N 3.14Å; S172-K174 VanDerWaalsContact O-N 3.09Å; S172-K174 PolarHBondContact OG-N 3.38Å; K174-E205 HydrophobicContact CD-CG 4.18Å; K174-E205 WeakPolarHBondContact CE-OE1 3.41Å; K174-E205 IonicContact NZ-OE1 3.73Å; K174-E205 PolarHBondContact NZ-OE1 2.71Å; K174-D209 IonicContact NZ-OD1 2.64Å; K174-D209 PolarHBondContact NZ-OD1 3.12Å; K174-D209 IonicContact NZ-OD2 3.67Å; K174-D209 PolarHBondContact NZ-OD2 2.94Å; K174-D209 VanDerWaalsContact NZ-OD2 3.08Å
175V69.9Low88.5Confident37 Ų3728 Ų2822%0.22416%0.155CC..THydrogen-bonded Turntrans-130.615.6-171-148.30000111.9S172 E177 Y208 F222S172-V175 CarbonylContact O-C 3.57Å; S172-V175 PolarHBondContact O-N 3.15Å; V175-E177 PolarHBondContact O-N 2.97Å; V175-Y208 HydrophobicContact CG2-CD2 3.81Å; V175-Y208 HydrophobicContact CG2-CG 4.01Å; V175-F222 HydrophobicContact CG1-CE1 4.45Å; V175-F222 HydrophobicContact CG1-CZ 4.08Å
176S71.2Confident88.5Confident54 Ų5428 Ų2838%0.37816%0.155SC..  trans-65.7128.6-173.3-175.90000111.2S172 A178 E181S172-S176 WeakPolarHBondContact O-CA 3.34Å; S172-S176 WeakPolarHBondContact O-CB 3.45Å; S172-S176 PolarHBondContact O-N 2.82Å; S176-A178 PolarHBondContact OG-O 3.32Å; S176-A178 VanDerWaalsContact OG-O 3.1Å; S176-E181 WeakPolarHBondContact CB-OE2 3.42Å; S176-E181 PolarHBondContact OG-OE1 2.8Å; S176-E181 PolarHBondContact OG-OE2 3.32Å
177E71.5Confident88.5Confident134 Ų13428.1 Ų28.163%0.62616%0.156SC*.SBendtrans-91.1-24.5171.8-66.1-171.716200110.9V175 E181 F222V175-E177 PolarHBondContact O-N 2.97Å; E177-E181 PolarHBondContact N-OE1 3.12Å; E177-E181 VanDerWaalsContact N-OE1 3.1Å; E177-F222 HydrophobicContact CG-CZ 4.49Å; E177-F222 VanDerWaalsContact OE1-CE2 3.26Å; E177-F222 WeakPolarHBondContact OE1-CE2 3.25Å
178A83.5Confident88.5Confident10 Ų1028 Ų288%0.08316%0.155CC..  trans-134.9129.7-175.500000113.7N99 S176 V180 E181N99-A178 HydrophobicContact CB-CB 3.76Å; S176-A178 PolarHBondContact OG-O 3.32Å; S176-A178 VanDerWaalsContact OG-O 3.1Å; A178-V180 HydrophobicContact CB-CG2 4.48Å; A178-V180 PolarHBondContact O-N 3.03Å; A178-E181 HydrophobicContact CB-CG 4.21Å; A178-E181 PolarHBondContact N-OE1 3.32Å; A178-E181 VanDerWaalsContact N-OE1 3.16Å; A178-E181 WeakPolarHBondContact O-CB 2.98Å; A178-E181 VanDerWaalsContact O-CD 3.26Å; A178-E181 WeakPolarHBondContact O-CG 3.26Å; A178-E181 PolarHBondContact O-N 2.81Å
179V88.1Confident88.5Confident92 Ų9228.2 Ų28.256%0.55816%0.157SC*.THydrogen-bonded Turntrans-62.9-17.6179.4-620000114.6M389 F395V179-M389 WeakPolarHBondContact O-CE 3.3Å; V179-M389 VanDerWaalsContact O-SD 3.41Å; V179-F395 HydrophobicContact CB-CE2 4.12Å; V179-F395 HydrophobicContact CG2-CD2 3.95Å; V179-F395 HydrophobicContact CG2-CE1 4.19Å; V179-F395 HydrophobicContact CG2-CE2 3.47Å; V179-F395 VanDerWaalsContact CG2-CE2 3.47Å; V179-F395 HydrophobicContact CG2-CG 4.5Å; V179-F395 HydrophobicContact CG2-CZ 3.6Å
180V94Very high88.6Confident9 Ų930.2 Ų30.26%0.05517%0.166CC..THydrogen-bonded Turntrans-94.60.3-176.5-58.80000114.2N99 A178 P182 Y183 N184 F395 Y399N99-V180 HydrophobicContact CB-CG2 4.2Å; N99-V180 WeakPolarHBondContact O-CG2 3.45Å; A178-V180 HydrophobicContact CB-CG2 4.48Å; A178-V180 PolarHBondContact O-N 3.03Å; V180-P182 VanDerWaalsContact C-N 3.29Å; V180-P182 VanDerWaalsContact O-N 3.16Å; V180-Y183 WeakPolarHBondContact O-CB 3.35Å; V180-Y183 PolarHBondContact O-N 2.94Å; V180-N184 PolarHBondContact O-N 3.39Å; V180-F395 HydrophobicContact CG1-CB 3.79Å; V180-F395 HydrophobicContact CG1-CD2 4.18Å; V180-F395 HydrophobicContact CG1-CG 3.99Å; V180-Y399 HydrophobicContact CB-CE2 4.2Å; V180-Y399 VanDerWaalsContact CB-OH 3.31Å; V180-Y399 WeakPolarHBondContact CB-OH 3.36Å; V180-Y399 HydrophobicContact CG1-CE2 4.29Å; V180-Y399 WeakPolarHBondContact CG2-OH 3.09Å; V180-Y399 PolarHBondContact O-OH 3.33Å
181E94.8Very high88.7Confident24 Ų2431.7 Ų31.711%0.11217%0.173CC..Hα-helixtrans-47.3-39.3177.5-81.6167.2-169.200114.7G140 P171 S176 E177 A178 Y183 N184 T185G140-E181 WeakPolarHBondContact O-CG 3.5Å; P171-E181 HydrophobicContact CB-CB 3.79Å; P171-E181 HydrophobicContact CB-CG 3.87Å; P171-E181 WeakPolarHBondContact CB-OE2 3.24Å; P171-E181 HydrophobicContact CG-CB 3.88Å; P171-E181 HydrophobicContact CG-CG 4.41Å; S176-E181 WeakPolarHBondContact CB-OE2 3.42Å; S176-E181 PolarHBondContact OG-OE1 2.8Å; S176-E181 PolarHBondContact OG-OE2 3.32Å; E177-E181 PolarHBondContact N-OE1 3.12Å; E177-E181 VanDerWaalsContact N-OE1 3.1Å; A178-E181 HydrophobicContact CB-CG 4.21Å; A178-E181 PolarHBondContact N-OE1 3.32Å; A178-E181 VanDerWaalsContact N-OE1 3.16Å; A178-E181 WeakPolarHBondContact O-CB 2.98Å; A178-E181 VanDerWaalsContact O-CD 3.26Å; A178-E181 WeakPolarHBondContact O-CG 3.26Å; A178-E181 PolarHBondContact O-N 2.81Å; E181-Y183 PolarHBondContact O-N 2.82Å; E181-N184 PolarHBondContact O-N 3.42Å; E181-T185 WeakPolarHBondContact O-CB 3.34Å; E181-T185 PolarHBondContact O-N 3.4Å; E181-T185 PolarHBondContact O-OG1 2.88Å
182P95.2Very high89.1Confident14 Ų1431.1 Ų31.19%0.09117%0.169CC..Hα-helixtrans-64.1-36.3177.4-25.737000114.1V180 I186 Q385 M389V180-P182 VanDerWaalsContact C-N 3.29Å; V180-P182 VanDerWaalsContact O-N 3.16Å; P182-I186 WeakPolarHBondContact O-CG1 3.3Å; P182-I186 PolarHBondContact O-N 3.31Å; P182-I186 VanDerWaalsContact O-N 3.13Å; P182-Q385 HydrophobicContact CB-CB 3.93Å; P182-Q385 HydrophobicContact CG-CB 3.86Å; P182-M389 HydrophobicContact CB-SD 4.06Å; P182-M389 HydrophobicContact CG-SD 3.76Å
183Y97.1Very high89.8Confident0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-65.2-49.4174.5-71.9-22.7000110.9V180 E181 T185 I186 L187 F386 M389 F390 A394 Y399 F409V180-Y183 WeakPolarHBondContact O-CB 3.35Å; V180-Y183 PolarHBondContact O-N 2.94Å; E181-Y183 PolarHBondContact O-N 2.82Å; Y183-T185 PolarHBondContact O-N 3.39Å; Y183-I186 PolarHBondContact O-N 2.83Å; Y183-L187 WeakPolarHBondContact O-CG 3.41Å; Y183-L187 PolarHBondContact O-N 3.42Å; Y183-F386 AromaticContact CD1-CD2 3.46Å; Y183-F386 HydrophobicContact CD1-CD2 3.46Å; Y183-F386 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F386 AromaticContact CD1-CE2 3.52Å; Y183-F386 HydrophobicContact CD1-CE2 3.52Å; Y183-F386 HydrophobicContact CD1-CG 4.33Å; Y183-F386 HydrophobicContact CD1-CZ 4.42Å; Y183-F386 HydrophobicContact CE1-CD2 4.01Å; Y183-F386 AromaticContact CE1-CE2 3.99Å; Y183-F386 HydrophobicContact CE1-CE2 3.99Å; Y183-F386 HydrophobicContact CE1-CZ 4.49Å; Y183-M389 HydrophobicContact CD2-CE 4.33Å; Y183-M389 HydrophobicContact CE1-CB 3.89Å; Y183-M389 HydrophobicContact CE2-CE 4.09Å; Y183-M389 VanDerWaalsContact OH-C 3.23Å; Y183-M389 PolarHBondContact OH-O 3.48Å; Y183-F390 HydrophobicContact CE1-CB 4.04Å; Y183-F390 HydrophobicContact CE1-CD2 4.19Å; Y183-F390 VanDerWaalsContact OH-CA 3.31Å; Y183-F390 WeakPolarHBondContact OH-CA 3.33Å; Y183-F390 PolarHBondContact OH-N 3.3Å; Y183-A394 WeakPolarHBondContact CE2-O 3.47Å; Y183-A394 PolarHBondContact OH-O 2.86Å; Y183-Y399 HydrophobicContact CD2-CD2 4.23Å; Y183-Y399 AromaticContact CD2-CE2 3.7Å; Y183-Y399 HydrophobicContact CD2-CE2 3.7Å; Y183-F409 HydrophobicContact CD1-CD1 4.33Å; Y183-F409 HydrophobicContact CD1-CE1 4.11Å; Y183-F409 HydrophobicContact CD2-CE1 4.13Å; Y183-F409 AromaticContact CG-CE1 3.87Å; Y183-F409 HydrophobicContact CG-CE1 3.87Å
184N97.1Very high90.9Very high0 Ų032.2 Ų32.20%018%0.178CC..Hα-helixtrans-57.1-41.7178.1-66.8-12.6000111.6N99 W101 L139 G140 V180 E181 A188 Y399N99-N184 PolarHBondContact O-ND2 3.17Å; W101-N184 HydrophobicContact CB-CB 4.16Å; W101-N184 WeakPolarHBondContact CB-OD1 3.34Å; W101-N184 PolarHBondContact N-OD1 3.05Å; W101-N184 VanDerWaalsContact N-OD1 3.07Å; L139-N184 CarbonylContact O-C 3.56Å; L139-N184 WeakPolarHBondContact O-CB 3.35Å; G140-N184 PolarHBondContact O-ND2 2.9Å; V180-N184 PolarHBondContact O-N 3.39Å; E181-N184 PolarHBondContact O-N 3.42Å; N184-A188 WeakPolarHBondContact O-CB 3.3Å; N184-A188 PolarHBondContact O-N 3.02Å; N184-Y399 WeakPolarHBondContact OD1-CE1 3.47Å; N184-Y399 PolarHBondContact OD1-OH 3.39Å
185T96.8Very high92Very high2 Ų227.6 Ų27.61%0.01216%0.159CC..Hα-helixtrans-69.3-40.7-177.3-53.80000111.6L139 T170 P171 E181 Y183 T189 V382L139-T185 HydrophobicContact CB-CG2 4.06Å; L139-T185 VanDerWaalsContact O-CA 3.26Å; L139-T185 WeakPolarHBondContact O-CA 3.42Å; L139-T185 PolarHBondContact O-N 3.42Å; L139-T185 VanDerWaalsContact O-N 3.12Å; L139-T185 PolarHBondContact O-OG1 3.45Å; T170-T185 HydrophobicContact CG2-CG2 4.48Å; P171-T185 VanDerWaalsContact CD-OG1 3.27Å; P171-T185 WeakPolarHBondContact CD-OG1 3.49Å; P171-T185 WeakPolarHBondContact CG-OG1 3.31Å; E181-T185 WeakPolarHBondContact O-CB 3.34Å; E181-T185 PolarHBondContact O-N 3.4Å; E181-T185 PolarHBondContact O-OG1 2.88Å; Y183-T185 PolarHBondContact O-N 3.39Å; T185-T189 VanDerWaalsContact O-CB 3.24Å; T185-T189 WeakPolarHBondContact O-CB 3.13Å; T185-T189 PolarHBondContact O-N 3.43Å; T185-T189 PolarHBondContact O-OG1 3.19Å; T185-V382 HydrophobicContact CG2-CB 4.44Å; T185-V382 HydrophobicContact CG2-CG1 3.68Å; T185-V382 HydrophobicContact CG2-CG2 3.97Å
186I97.8Very high93.3Very high1 Ų126 Ų261%0.00515%0.15CC..Hα-helixtrans-64.8-50.1176.9-71-62.7000111.1P182 Y183 A188 T189 E190 V382 F386 A412 I416P182-I186 WeakPolarHBondContact O-CG1 3.3Å; P182-I186 PolarHBondContact O-N 3.31Å; P182-I186 VanDerWaalsContact O-N 3.13Å; Y183-I186 PolarHBondContact O-N 2.83Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.73Å; I186-T189 PolarHBondContact O-N 3.23Å; I186-E190 PolarHBondContact O-N 3.37Å; I186-V382 HydrophobicContact CD1-CB 4.42Å; I186-V382 HydrophobicContact CD1-CG1 3.68Å; I186-V382 HydrophobicContact CG1-CG1 3.82Å; I186-F386 HydrophobicContact CB-CD2 3.71Å; I186-F386 HydrophobicContact CB-CE2 4.06Å; I186-F386 HydrophobicContact CB-CG 4.44Å; I186-F386 HydrophobicContact CG1-CB 3.75Å; I186-F386 HydrophobicContact CG1-CD2 3.49Å; I186-F386 VanDerWaalsContact CG1-CD2 3.49Å; I186-F386 HydrophobicContact CG1-CE2 4.29Å; I186-F386 HydrophobicContact CG1-CG 3.77Å; I186-F386 HydrophobicContact CG2-CD2 3.99Å; I186-F386 HydrophobicContact CG2-CE2 3.92Å; I186-A412 HydrophobicContact CG2-CB 3.84Å; I186-I416 HydrophobicContact CD1-CB 4.15Å; I186-I416 HydrophobicContact CD1-CG1 3.82Å; I186-I416 HydrophobicContact CD1-CG2 4.03Å; I186-I416 HydrophobicContact CG2-CG1 4.31Å
187L98.1Very high94.6Very high3 Ų325 Ų252%0.01614%0.141CC..Hα-helixtrans-60.9-43.1179-66163.7000111.1W101 Y183 Q191 Y399 L404 F409 A412W101-L187 HydrophobicContact CB-CD1 4.26Å; W101-L187 HydrophobicContact CD2-CB 3.7Å; W101-L187 HydrophobicContact CD2-CD1 3.9Å; W101-L187 HydrophobicContact CD2-CG 4.38Å; W101-L187 HydrophobicContact CE3-CB 4.1Å; W101-L187 HydrophobicContact CE3-CD1 3.71Å; W101-L187 HydrophobicContact CE3-CG 4.36Å; W101-L187 HydrophobicContact CG-CB 4.01Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CH2-CB 4.4Å; W101-L187 HydrophobicContact CZ2-CB 3.99Å; W101-L187 HydrophobicContact CZ3-CB 4.45Å; W101-L187 HydrophobicContact CZ3-CD1 4.36Å; Y183-L187 WeakPolarHBondContact O-CG 3.41Å; Y183-L187 PolarHBondContact O-N 3.42Å; L187-Q191 PolarHBondContact O-N 3.01Å; L187-Y399 HydrophobicContact CD1-CD1 4.3Å; L187-Y399 HydrophobicContact CD1-CE1 4.18Å; L187-L404 HydrophobicContact CD1-CD2 3.64Å; L187-L404 HydrophobicContact CD2-CD2 4.12Å; L187-F409 HydrophobicContact CD1-CD1 4.47Å; L187-F409 HydrophobicContact CD1-CE1 3.99Å; L187-F409 HydrophobicContact CD1-CZ 4.39Å; L187-A412 HydrophobicContact CD2-CB 3.94Å
188A98.1Very high95.8Very high0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-68-39.7178.200000113L139 T149 N184 I186 E190 Q191 L192L139-A188 HydrophobicContact CD2-CB 4Å; T149-A188 HydrophobicContact CG2-CB 3.72Å; T149-A188 WeakPolarHBondContact CG2-O 3.49Å; N184-A188 WeakPolarHBondContact O-CB 3.3Å; N184-A188 PolarHBondContact O-N 3.02Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.73Å; A188-E190 VanDerWaalsContact C-N 3.34Å; A188-Q191 PolarHBondContact O-N 3.28Å; A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.01Å
189T97.8Very high96.5Very high6 Ų618.2 Ų18.24%0.03711%0.107CC..Hα-helixtrans-67.3-37.2-179.5-55.50000111T185 I186 Q191 L192 V193 F265 F379 I416T185-T189 VanDerWaalsContact O-CB 3.24Å; T185-T189 WeakPolarHBondContact O-CB 3.13Å; T185-T189 PolarHBondContact O-N 3.43Å; T185-T189 PolarHBondContact O-OG1 3.19Å; I186-T189 PolarHBondContact O-N 3.23Å; T189-Q191 VanDerWaalsContact C-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.26Å; T189-L192 PolarHBondContact O-N 3.38Å; T189-L192 VanDerWaalsContact O-N 3.13Å; T189-V193 HydrophobicContact CG2-CG2 4.49Å; T189-V193 WeakPolarHBondContact O-CG2 3.15Å; T189-V193 PolarHBondContact O-N 2.81Å; T189-F265 HydrophobicContact CG2-CE1 4.13Å; T189-F265 HydrophobicContact CG2-CZ 4.12Å; T189-F379 HydrophobicContact CG2-CD1 4.2Å; T189-F379 HydrophobicContact CG2-CE1 3.71Å; T189-I416 HydrophobicContact CG2-CD1 3.41Å; T189-I416 VanDerWaalsContact CG2-CD1 3.41Å
190E97.6Very high97Very high46 Ų4614 Ų1422%0.2158%0.081CC..Hα-helixtrans-59.2-44.2175.5172.1-105.7-179.700112I186 A188 L192 V193 A412 C415I186-E190 PolarHBondContact O-N 3.37Å; A188-E190 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 2.99Å; E190-V193 PolarHBondContact O-N 2.76Å; E190-A412 HydrophobicContact CB-CB 3.9Å; E190-A412 HydrophobicContact CG-CB 4.14Å; E190-C415 HydrophobicContact CB-CB 4.37Å; E190-C415 HydrophobicContact CG-CB 3.92Å
191Q97.6Very high97.2Very high34 Ų3413.7 Ų13.716%0.1598%0.08CC..Hα-helixtrans-62.7-41172.6-61.9-63.4-57.600112.4W101 F105 T149 S153 L187 A188 T189 V193 S194 S195W101-Q191 HydrophobicContact CZ2-CG 4.17Å; F105-Q191 HydrophobicContact CE2-CG 4.17Å; T149-Q191 HydrophobicContact CG2-CB 4.12Å; S153-Q191 PolarHBondContact OG-OE1 3.49Å; L187-Q191 PolarHBondContact O-N 3.01Å; A188-Q191 PolarHBondContact O-N 3.28Å; T189-Q191 VanDerWaalsContact C-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.26Å; Q191-V193 PolarHBondContact O-N 2.91Å; Q191-S194 PolarHBondContact O-N 3.23Å; Q191-S195 WeakPolarHBondContact O-CB 3.26Å; Q191-S195 PolarHBondContact O-N 2.88Å
192L98.1Very high97.3Very high0 Ų012.6 Ų12.60%07%0.074CC..Hα-helixtrans-64.6-36.8178.2-71.4174.3000113.1L139 T149 I152 A188 T189 E190 S194 S196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.13Å; L139-L192 HydrophobicContact CD2-CD1 3.61Å; T149-L192 HydrophobicContact CG2-CG 4.28Å; I152-L192 HydrophobicContact CD1-CD2 3.52Å; I152-L192 HydrophobicContact CG2-CD2 4.46Å; A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.01Å; T189-L192 PolarHBondContact O-N 3.38Å; T189-L192 VanDerWaalsContact O-N 3.13Å; E190-L192 PolarHBondContact O-N 2.99Å; L192-S194 PolarHBondContact O-N 3.03Å; L192-S196 WeakPolarHBondContact O-CB 3.39Å; L192-S196 PolarHBondContact O-N 3.26Å; L192-S196 VanDerWaalsContact O-N 3.11Å; L192-T199 HydrophobicContact CD1-CG2 4.11Å; L192-H264 PolarHBondContact O-CE1 2.81Å; L192-H264 PolarHBondContact O-NE2 3.46Å; L192-F265 HydrophobicContact CB-CE1 4.42Å; L192-F265 HydrophobicContact CB-CZ 4.42Å
193V97.3Very high97.3Very high12 Ų1211.9 Ų11.97%0.0737%0.07CC..Hα-helixtrans-55.8-40.9176.5169.80000110.6T189 E190 Q191 H264 F265 L419T189-V193 HydrophobicContact CG2-CG2 4.49Å; T189-V193 WeakPolarHBondContact O-CG2 3.15Å; T189-V193 PolarHBondContact O-N 2.81Å; E190-V193 PolarHBondContact O-N 2.76Å; Q191-V193 PolarHBondContact O-N 2.91Å; V193-H264 PolarHBondContact O-NE2 3.34Å; V193-F265 HydrophobicContact CG2-CE2 3.91Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; V193-L419 HydrophobicContact CG2-CD2 3.77Å
194S94.3Very high97.2Very high87 Ų8712.8 Ų12.861%0.6088%0.075SC*.Hα-helixtrans-89.9-30.8-172.8-57.50000113.9Q191 L192Q191-S194 PolarHBondContact O-N 3.23Å; L192-S194 PolarHBondContact O-N 3.03Å
195S96.9Very high97Very high14 Ų1414.4 Ų14.410%0.0988%0.083CC..Hα-helixtrans-115.7-20.7-166.1-59.10000114.7S153 R156 Q191S153-S195 PolarHBondContact OG-OG 2.81Å; R156-S195 PolarHBondContact NE-O 3.22Å; R156-S195 PolarHBondContact NH2-O 2.87Å; Q191-S195 WeakPolarHBondContact O-CB 3.26Å; Q191-S195 PolarHBondContact O-N 2.88Å
196S97.3Very high96.9Very high4 Ų414.7 Ų14.73%0.0289%0.085CC..  trans-86.7141.2177.6-167.50000111.6V164 L192 E198 T199 H264V164-S196 PolarHBondContact O-OG 2.64Å; L192-S196 WeakPolarHBondContact O-CB 3.39Å; L192-S196 PolarHBondContact O-N 3.26Å; L192-S196 VanDerWaalsContact O-N 3.11Å; S196-E198 PolarHBondContact OG-O 3.04Å; S196-T199 WeakPolarHBondContact CB-OG1 3.15Å; S196-T199 PolarHBondContact OG-OG1 3.09Å; S196-H264 PolarHBondContact O-CD2 3.49Å; S196-H264 PolarHBondContact O-NE2 2.81Å
197D97.5Very high96.8Very high33 Ų3314.7 Ų14.718%0.1769%0.085CC..SBendtrans-87.7-34.5170.7-66.1-64.2000112.1R156 M163 V164 I258 H264R156-D197 IonicContact CZ-OD1 2.69Å; R156-D197 VanDerWaalsContact CZ-OD1 3.27Å; R156-D197 IonicContact CZ-OD2 3.09Å; R156-D197 VanDerWaalsContact CZ-OD2 3.25Å; R156-D197 IonicContact NH1-OD1 3.06Å; R156-D197 PolarHBondContact NH1-OD1 3.04Å; R156-D197 IonicContact NH1-OD2 3.36Å; R156-D197 PolarHBondContact NH1-OD2 2.83Å; R156-D197 IonicContact NH2-OD1 2.69Å; R156-D197 PolarHBondContact NH2-OD1 2.79Å; R156-D197 IonicContact NH2-OD2 3.08Å; R156-D197 PolarHBondContact NH2-OD2 3.45Å; M163-D197 VanDerWaalsContact CA-OD2 3.27Å; M163-D197 WeakPolarHBondContact CA-OD2 3.4Å; M163-D197 HydrophobicContact CE-CB 4.48Å; M163-D197 WeakPolarHBondContact CE-OD2 3.46Å; M163-D197 HydrophobicContact SD-CB 4.27Å; V164-D197 PolarHBondContact N-OD2 2.92Å; V164-D197 PolarHBondContact O-N 2.78Å; D197-I258 WeakPolarHBondContact O-CD1 3.13Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.34Å
198E97.4Very high96.6Very high0 Ų017.7 Ų17.70%010%0.096CC..EExtended strand (participates in β ladder)trans-140.5118.7-176.2-64.4-175.5165.800108.7V164 A165 S166 S196 F200 L250 L253 A254 I258 F266V164-E198 PolarHBondContact O-N 2.85Å; A165-E198 CarbonylContact C-O 3.59Å; A165-E198 VanDerWaalsContact CA-O 3.31Å; A165-E198 WeakPolarHBondContact CA-O 3.43Å; A165-E198 HydrophobicContact CB-CB 4.12Å; S166-E198 PolarHBondContact N-O 2.65Å; S196-E198 PolarHBondContact OG-O 3.04Å; E198-F200 HydrophobicContact CB-CE2 4Å; E198-L250 WeakPolarHBondContact OE2-CD2 3.42Å; E198-L253 WeakPolarHBondContact OE1-CB 3.37Å; E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.38Å; E198-A254 WeakPolarHBondContact OE1-CB 3.33Å; E198-A254 PolarHBondContact OE1-N 3.1Å; E198-I258 HydrophobicContact CG-CD1 4.08Å; E198-F266 HydrophobicContact CB-CE2 3.92Å; E198-F266 HydrophobicContact CG-CE2 4.05Å
199T98.1Very high96.4Very high1 Ų119.4 Ų19.41%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-116.899.7-179.7-53.10000110.5S166 L192 S196 C201 H264 F265 F266S166-T199 CarbonylContact O-C 3.49Å; L192-T199 HydrophobicContact CD1-CG2 4.11Å; S196-T199 WeakPolarHBondContact CB-OG1 3.15Å; S196-T199 PolarHBondContact OG-OG1 3.09Å; T199-C201 PolarHBondContact O-N 2.91Å; T199-H264 PolarHBondContact N-O 3.41Å; T199-H264 PolarHBondContact OG1-CE1 2.8Å; T199-H264 PolarHBondContact OG1-ND1 2.93Å; T199-F265 HydrophobicContact CG2-CD1 3.52Å; T199-F265 HydrophobicContact CG2-CE1 3.66Å; T199-F265 CarbonylContact O-C 3.46Å; T199-F265 WeakPolarHBondContact O-CA 3.46Å; T199-F266 PolarHBondContact O-N 2.86Å
200F98.3Very high96.3Very high3 Ų319.1 Ų19.11%0.01310%0.104CC..EExtended strand (participates in β ladder)trans-76102.7173.1-62.9-90.7000109.5A165 S166 F167 G168 E198 A236 L253 F266 T268 I369A165-F200 HydrophobicContact CB-CE2 4.3Å; S166-F200 PolarHBondContact O-N 3.17Å; F167-F200 HydrophobicContact CD1-CB 3.42Å; F167-F200 VanDerWaalsContact CD1-CB 3.42Å; F167-F200 HydrophobicContact CD1-CD2 4.15Å; F167-F200 AromaticContact CD1-CG 3.83Å; F167-F200 HydrophobicContact CD1-CG 3.83Å; F167-F200 HydrophobicContact CD2-CD2 4.18Å; F167-F200 HydrophobicContact CE1-CB 3.57Å; F167-F200 AromaticContact CE1-CD1 3.88Å; F167-F200 HydrophobicContact CE1-CD1 3.88Å; F167-F200 AromaticContact CE1-CD2 3.74Å; F167-F200 HydrophobicContact CE1-CD2 3.74Å; F167-F200 HydrophobicContact CE1-CE2 4.42Å; F167-F200 AromaticContact CE1-CG 3.44Å; F167-F200 HydrophobicContact CE1-CG 3.44Å; F167-F200 VanDerWaalsContact CE1-CG 3.44Å; F167-F200 AromaticContact CE2-CD2 3.76Å; F167-F200 HydrophobicContact CE2-CD2 3.76Å; F167-F200 HydrophobicContact CE2-CE2 4.12Å; F167-F200 HydrophobicContact CE2-CG 4.33Å; F167-F200 HydrophobicContact CG-CB 4.03Å; F167-F200 HydrophobicContact CG-CD2 4.37Å; F167-F200 HydrophobicContact CG-CG 4.44Å; F167-F200 HydrophobicContact CZ-CB 4.27Å; F167-F200 HydrophobicContact CZ-CD1 4.19Å; F167-F200 AromaticContact CZ-CD2 3.53Å; F167-F200 HydrophobicContact CZ-CD2 3.53Å; F167-F200 HydrophobicContact CZ-CE1 4.45Å; F167-F200 AromaticContact CZ-CE2 3.85Å; F167-F200 HydrophobicContact CZ-CE2 3.85Å; F167-F200 AromaticContact CZ-CG 3.72Å; F167-F200 HydrophobicContact CZ-CG 3.72Å; F167-F200 HydrophobicContact CZ-CZ 4.3Å; G168-F200 PolarHBondContact N-O 2.88Å; G168-F200 VanDerWaalsContact N-O 3.12Å; E198-F200 HydrophobicContact CB-CE2 4Å; F200-A236 HydrophobicContact CE1-CB 4.21Å; F200-L253 HydrophobicContact CZ-CD2 3.83Å; F200-F266 HydrophobicContact CD1-CB 4.29Å; F200-F266 AromaticContact CD1-CD2 3.96Å; F200-F266 HydrophobicContact CD1-CD2 3.96Å; F200-F266 HydrophobicContact CD2-CD2 4.49Å; F200-F266 AromaticContact CE1-CD2 3.73Å; F200-F266 HydrophobicContact CE1-CD2 3.73Å; F200-F266 HydrophobicContact CE1-CE2 4.34Å; F200-F266 HydrophobicContact CE2-CD2 4.28Å; F200-F266 HydrophobicContact CG-CD2 4.33Å; F200-F266 AromaticContact CZ-CD2 3.91Å; F200-F266 HydrophobicContact CZ-CD2 3.91Å; F200-F266 HydrophobicContact CZ-CE2 4.12Å; F200-T268 HydrophobicContact CB-CG2 4.16Å; F200-T268 HydrophobicContact CD1-CG2 3.87Å; F200-I369 HydrophobicContact CE1-CD1 3.94Å; F200-I369 HydrophobicContact CE1-CG1 4.14Å; F200-I369 HydrophobicContact CE1-CG2 3.99Å
201C97.7Very high96.2Very high4 Ų417 Ų173%0.0279%0.094CC..EExtended strand (participates in β ladder)trans-76.4133.9177.5-640000110.2T199 F266 T268 V302 I375 L378T199-C201 PolarHBondContact O-N 2.91Å; C201-F266 WeakPolarHBondContact CB-O 3.4Å; C201-F266 PolarHBondContact N-O 2.76Å; C201-T268 PolarHBondContact O-OG1 2.97Å; C201-V302 HydrophobicContact CB-CG1 4.48Å; C201-V302 HydrophobicContact CB-CG2 3.76Å; C201-V302 WeakPolarHBondContact O-CG2 3.31Å; C201-I375 HydrophobicContact CB-CD1 4Å; C201-L378 HydrophobicContact CB-CD2 4.23Å
202I97.1Very high96Very high0 Ų020.5 Ų20.50%011%0.109CC..EExtended strand (participates in β ladder)trans-132.8132.1176.3-67.6151000106.6F167 G168 V169 T170 L207 I229F167-I202 HydrophobicContact CB-CD1 4.12Å; F167-I202 HydrophobicContact CD1-CD1 4.06Å; G168-I202 PolarHBondContact O-N 3.08Å; G168-I202 VanDerWaalsContact O-N 3.1Å; V169-I202 CarbonylContact C-O 3.53Å; V169-I202 WeakPolarHBondContact CA-O 3.32Å; V169-I202 HydrophobicContact CG1-CG2 4.38Å; V169-I202 HydrophobicContact CG2-CB 4.35Å; V169-I202 HydrophobicContact CG2-CG2 4.11Å; T170-I202 PolarHBondContact N-O 2.8Å; T170-I202 PolarHBondContact OG1-O 3.36Å; I202-L207 HydrophobicContact CG2-CD1 3.61Å; I202-L207 HydrophobicContact CG2-CG 4.34Å; I202-I229 HydrophobicContact CD1-CG2 3.57Å; I202-I229 HydrophobicContact CG1-CG2 4.45Å; I202-I229 HydrophobicContact CG2-CD1 3.72Å; I202-I229 HydrophobicContact CG2-CG1 3.62Å; I202-I229 HydrophobicContact CG2-CG2 4.45Å
203D95.3Very high95.7Very high0 Ų027.9 Ų27.90%014%0.137CC..EExtended strand (participates in β ladder)trans-124.7118-173.1-171.5-11.7000111.4T170 E205 A206 L207 M301 V302 A303 R381T170-D203 WeakPolarHBondContact OG1-CA 3.23Å; T170-D203 WeakPolarHBondContact OG1-CB 3.4Å; D203-E205 PolarHBondContact O-N 3.13Å; D203-E205 VanDerWaalsContact O-N 3.08Å; D203-E205 VanDerWaalsContact OD1-CB 3.32Å; D203-E205 WeakPolarHBondContact OD1-CB 3.48Å; D203-E205 PolarHBondContact OD1-N 3.1Å; D203-A206 HydrophobicContact CB-CB 4.16Å; D203-A206 PolarHBondContact O-N 3.19Å; D203-L207 WeakPolarHBondContact O-CG 3.41Å; D203-L207 PolarHBondContact O-N 3.14Å; D203-M301 PolarHBondContact N-O 2.9Å; D203-V302 HydrophobicContact CB-CG1 4.4Å; D203-A303 WeakPolarHBondContact OD2-CB 3.21Å; D203-A303 PolarHBondContact OD2-N 3.28Å; D203-R381 IonicContact OD1-CZ 2.87Å; D203-R381 IonicContact OD1-NH1 3.27Å; D203-R381 IonicContact OD1-NH2 2.94Å; D203-R381 PolarHBondContact OD1-NH2 3.06Å; D203-R381 VanDerWaalsContact OD1-NH2 3.13Å; D203-R381 IonicContact OD2-CZ 3.25Å; D203-R381 IonicContact OD2-NH1 3.88Å; D203-R381 IonicContact OD2-NH2 3.49Å; D203-R381 PolarHBondContact OD2-NH2 3.2Å
204N94.3Very high95.5Very high18 Ų1828.7 Ų28.710%0.09614%0.143CC..Hα-helixtrans-57.8-25.6177.6-79.4-19.4000112.4V169 T170 Y208 L225V169-N204 WeakPolarHBondContact CG1-OD1 3.41Å; T170-N204 PolarHBondContact O-N 2.69Å; N204-Y208 WeakPolarHBondContact O-CB 2.94Å; N204-Y208 PolarHBondContact O-N 3.45Å; N204-L225 HydrophobicContact CB-CD2 4.46Å
205E93.1Very high95.4Very high35 Ų3525.8 Ų25.816%0.16412%0.121CC..Hα-helixtrans-68-48.9175.8-178.1158.4-175.400110.9S172 K174 D203 Y208 D209 A303 R381S172-E205 WeakPolarHBondContact OG-CA 3.46Å; S172-E205 WeakPolarHBondContact OG-CB 3.17Å; K174-E205 HydrophobicContact CD-CG 4.18Å; K174-E205 WeakPolarHBondContact CE-OE1 3.41Å; K174-E205 IonicContact NZ-OE1 3.73Å; K174-E205 PolarHBondContact NZ-OE1 2.71Å; D203-E205 PolarHBondContact O-N 3.13Å; D203-E205 VanDerWaalsContact O-N 3.08Å; D203-E205 VanDerWaalsContact OD1-CB 3.32Å; D203-E205 WeakPolarHBondContact OD1-CB 3.48Å; D203-E205 PolarHBondContact OD1-N 3.1Å; E205-Y208 PolarHBondContact O-N 3.16Å; E205-D209 PolarHBondContact O-N 3.09Å; E205-A303 HydrophobicContact CB-CB 4.25Å; E205-A303 HydrophobicContact CG-CB 4.26Å; E205-R381 IonicContact OE2-CZ 3.51Å; E205-R381 IonicContact OE2-NH1 3.28Å; E205-R381 PolarHBondContact OE2-NH1 3Å
206A95.1Very high95.2Very high8 Ų834 Ų347%0.06615%0.149CC..Hα-helixtrans-67.4-42.3179.200000112D203 Y208 D209 I210 M300 A303D203-A206 HydrophobicContact CB-CB 4.16Å; D203-A206 PolarHBondContact O-N 3.19Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.9Å; A206-D209 PolarHBondContact O-N 3.46Å; A206-I210 WeakPolarHBondContact O-CG1 3.28Å; A206-I210 PolarHBondContact O-N 3.03Å; A206-M300 WeakPolarHBondContact CB-O 2.92Å; A206-A303 HydrophobicContact CB-CB 4.25Å
207L95.9Very high95Very high0 Ų035.7 Ų35.70%016%0.158CC..Hα-helixtrans-62.4-41.3176.8-63.9176.7000112.2I202 D203 I210 C211 L225 L228 I229 M301I202-L207 HydrophobicContact CG2-CD1 3.61Å; I202-L207 HydrophobicContact CG2-CG 4.34Å; D203-L207 WeakPolarHBondContact O-CG 3.41Å; D203-L207 PolarHBondContact O-N 3.14Å; L207-I210 PolarHBondContact O-N 2.95Å; L207-C211 WeakPolarHBondContact O-CB 3.34Å; L207-C211 PolarHBondContact O-N 3.5Å; L207-C211 PolarHBondContact O-SG 2.75Å; L207-C211 VanDerWaalsContact O-SG 3.37Å; L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.23Å; L207-L225 HydrophobicContact CB-CG 3.84Å; L207-L225 HydrophobicContact CD1-CB 4.27Å; L207-L225 HydrophobicContact CD1-CG 4.44Å; L207-L228 HydrophobicContact CD2-CB 3.87Å; L207-L228 HydrophobicContact CD2-CD1 4.06Å; L207-I229 HydrophobicContact CD1-CD1 3.62Å; L207-I229 HydrophobicContact CD1-CG1 3.51Å; L207-M301 HydrophobicContact CD2-CB 3.91Å; L207-M301 HydrophobicContact CD2-CG 3.78Å; L207-M301 HydrophobicContact CD2-SD 3.96Å
208Y94Very high94.7Very high66 Ų6638.2 Ų38.226%0.25918%0.183SC..Hα-helixtrans-62.2-45.8175.1-172.6-84.8000111.2V175 N204 E205 A206 I210 C211 F212 P220V175-Y208 HydrophobicContact CG2-CD2 3.81Å; V175-Y208 HydrophobicContact CG2-CG 4.01Å; N204-Y208 WeakPolarHBondContact O-CB 2.94Å; N204-Y208 PolarHBondContact O-N 3.45Å; E205-Y208 PolarHBondContact O-N 3.16Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 2.9Å; Y208-I210 VanDerWaalsContact C-N 3.35Å; Y208-I210 PolarHBondContact O-N 2.88Å; Y208-C211 PolarHBondContact O-N 3.28Å; Y208-F212 HydrophobicContact CE1-CB 4.39Å; Y208-F212 WeakPolarHBondContact O-CB 3.45Å; Y208-F212 PolarHBondContact O-N 2.64Å; Y208-P220 HydrophobicContact CD2-CB 3.84Å; Y208-P220 HydrophobicContact CD2-CG 4.06Å; Y208-P220 HydrophobicContact CE1-CG 4.44Å; Y208-P220 HydrophobicContact CE2-CB 3.83Å; Y208-P220 HydrophobicContact CE2-CG 3.8Å; Y208-P220 HydrophobicContact CG-CG 4.49Å
209D94.1Very high94.4Very high36 Ų3646.9 Ų46.919%0.19322%0.221CC..Hα-helixtrans-64-37.7178.4-76.4-10.1000111.7K174 E205 A206 F212 R213K174-D209 IonicContact NZ-OD1 2.64Å; K174-D209 PolarHBondContact NZ-OD1 3.12Å; K174-D209 IonicContact NZ-OD2 3.67Å; K174-D209 PolarHBondContact NZ-OD2 2.94Å; K174-D209 VanDerWaalsContact NZ-OD2 3.08Å; E205-D209 PolarHBondContact O-N 3.09Å; A206-D209 PolarHBondContact O-N 3.46Å; D209-F212 PolarHBondContact O-N 2.73Å; D209-R213 WeakPolarHBondContact O-CB 3.35Å; D209-R213 WeakPolarHBondContact O-CG 3.04Å; D209-R213 PolarHBondContact O-N 3.28Å
210I95.4Very high94.1Very high1 Ų147.7 Ų47.71%0.00523%0.226CC..Iπ-helixtrans-61.6-50.2172.2-72.5166.3000110.8A206 L207 Y208 F212 S214 L215 L228 L273 S298 M301A206-I210 WeakPolarHBondContact O-CG1 3.28Å; A206-I210 PolarHBondContact O-N 3.03Å; L207-I210 PolarHBondContact O-N 2.95Å; Y208-I210 VanDerWaalsContact C-N 3.35Å; Y208-I210 PolarHBondContact O-N 2.88Å; I210-F212 VanDerWaalsContact C-N 3.31Å; I210-F212 PolarHBondContact O-N 3.24Å; I210-S214 WeakPolarHBondContact O-CA 3.4Å; I210-S214 WeakPolarHBondContact O-CB 3.14Å; I210-S214 PolarHBondContact O-N 3.12Å; I210-L215 HydrophobicContact CG2-CG 4.44Å; I210-L215 PolarHBondContact O-N 3.27Å; I210-L228 HydrophobicContact CB-CD1 4.25Å; I210-L228 HydrophobicContact CG2-CD1 3.72Å; I210-L273 HydrophobicContact CD1-CD1 4.34Å; I210-L273 HydrophobicContact CG1-CD1 4.49Å; I210-L273 HydrophobicContact CG2-CD1 3.83Å; I210-L273 HydrophobicContact CG2-CD2 3.95Å; I210-L273 HydrophobicContact CG2-CG 4.39Å; I210-S298 WeakPolarHBondContact CG1-O 3.32Å; I210-M301 HydrophobicContact CD1-CG 4.08Å
211C94.8Very high93.9Very high0 Ų050.9 Ų50.90%025%0.246CC..Iπ-helixtrans-59.9-43.5179.3-760000111.7L207 Y208 L215 R216 L217 P220L207-C211 WeakPolarHBondContact O-CB 3.34Å; L207-C211 PolarHBondContact O-N 3.5Å; L207-C211 PolarHBondContact O-SG 2.75Å; L207-C211 VanDerWaalsContact O-SG 3.37Å; Y208-C211 PolarHBondContact O-N 3.28Å; C211-L215 CarbonylContact O-C 3.56Å; C211-L215 WeakPolarHBondContact O-CB 3.05Å; C211-R216 PolarHBondContact O-N 2.8Å; C211-L217 HydrophobicContact CB-CD1 4.15Å; C211-L217 WeakPolarHBondContact O-CB 3.4Å; C211-L217 PolarHBondContact O-N 3.41Å; C211-P220 HydrophobicContact CB-CB 3.59Å; C211-P220 HydrophobicContact CB-CG 3.65Å
212F93.3Very high93.6Very high108 Ų10854.1 Ų54.147%0.47426%0.26SS..Iπ-helixtrans-72.8-46.7-178.5-177.4-105.2000112.7Y208 D209 I210 R216 P220Y208-F212 HydrophobicContact CE1-CB 4.39Å; Y208-F212 WeakPolarHBondContact O-CB 3.45Å; Y208-F212 PolarHBondContact O-N 2.64Å; D209-F212 PolarHBondContact O-N 2.73Å; I210-F212 VanDerWaalsContact C-N 3.31Å; I210-F212 PolarHBondContact O-N 3.24Å; F212-R216 WeakPolarHBondContact O-CA 3.43Å; F212-P220 HydrophobicContact CB-CG 4.19Å
213R92.7Very high93.4Very high156 Ų15656.6 Ų56.659%0.58928%0.28SS*.Iπ-helixtrans-87.1-55.7-173.5-62.2-179.7179.4-178.72.8112.6D209D209-R213 WeakPolarHBondContact O-CB 3.35Å; D209-R213 WeakPolarHBondContact O-CG 3.04Å; D209-R213 PolarHBondContact O-N 3.28Å
214S92.3Very high93.4Very high29 Ų2959 Ų5920%0.20329%0.293CS..Iπ-helixtrans-81.3-43.7-171.8-55.80000111.6I210 A275 N299I210-S214 WeakPolarHBondContact O-CA 3.4Å; I210-S214 WeakPolarHBondContact O-CB 3.14Å; I210-S214 PolarHBondContact O-N 3.12Å; S214-A275 PolarHBondContact O-N 3Å; S214-N299 PolarHBondContact OG-OD1 3.32Å
215L93.1Very high93.4Very high26 Ų2658.3 Ų58.314%0.13629%0.289CS..SBendtrans-87.2-7.9177.9-51.6-176.5000113.5I210 C211 L217 L228 L273 F274 A275 P276I210-L215 HydrophobicContact CG2-CG 4.44Å; I210-L215 PolarHBondContact O-N 3.27Å; C211-L215 CarbonylContact O-C 3.56Å; C211-L215 WeakPolarHBondContact O-CB 3.05Å; L215-L217 HydrophobicContact CB-CD1 4.3Å; L215-L217 HydrophobicContact CB-CG 3.94Å; L215-L217 HydrophobicContact CD1-CD1 4.44Å; L215-L217 PolarHBondContact O-N 2.95Å; L215-L228 HydrophobicContact CD1-CD1 4.49Å; L215-L228 HydrophobicContact CD1-CD2 4.35Å; L215-L273 HydrophobicContact CD2-CB 4.4Å; L215-L273 HydrophobicContact CD2-CD2 4.33Å; L215-F274 WeakPolarHBondContact CD2-O 3.29Å; L215-A275 WeakPolarHBondContact O-CA 3.45Å; L215-P276 VanDerWaalsContact O-CD 3.29Å; L215-P276 WeakPolarHBondContact O-CD 3.48Å
216R93.4Very high93.5Very high185 Ų18557 Ų5770%0.69828%0.284SS*.  trans55.632.4178.7-59.2-176.1179.9-177.9-0.1114C211 F212 A218 A275C211-R216 PolarHBondContact O-N 2.8Å; F212-R216 WeakPolarHBondContact O-CA 3.43Å; R216-A218 PolarHBondContact O-N 3.12Å; R216-A275 HydrophobicContact CB-CB 4.05Å; R216-A275 HydrophobicContact CG-CB 3.98Å
217L92.8Very high93.6Very high41 Ų4160.7 Ų60.722%0.21530%0.299CS..  trans-79.4117.1175.7-56-178.3000109.3C211 L215 K219 P220 D224 P276C211-L217 HydrophobicContact CB-CD1 4.15Å; C211-L217 WeakPolarHBondContact O-CB 3.4Å; C211-L217 PolarHBondContact O-N 3.41Å; L215-L217 HydrophobicContact CB-CD1 4.3Å; L215-L217 HydrophobicContact CB-CG 3.94Å; L215-L217 HydrophobicContact CD1-CD1 4.44Å; L215-L217 PolarHBondContact O-N 2.95Å; L217-K219 VanDerWaalsContact C-N 3.27Å; L217-K219 PolarHBondContact O-N 3.24Å; L217-P220 HydrophobicContact CB-CG 4.35Å; L217-P220 WeakPolarHBondContact O-CD 3.25Å; L217-D224 HydrophobicContact CD1-CB 3.94Å; L217-P276 HydrophobicContact CD2-CG 4.44Å
218A91.1Very high93.6Very high85 Ų8561 Ų6170%0.70230%0.301SS*.SBendtrans-65.4-29.4-177.700000113.5R216R216-A218 PolarHBondContact O-N 3.12Å
219K90.9Very high93.8Very high183 Ų18357.9 Ų57.980%0.79629%0.289SS*.SBendtrans-137.883.3175.9-67.6-175.2179.7-177.90109.5L217 T221L217-K219 VanDerWaalsContact C-N 3.27Å; L217-K219 PolarHBondContact O-N 3.24Å; K219-T221 PolarHBondContact O-N 2.92Å
220P92.6Very high93.9Very high17 Ų1756.1 Ų56.111%0.1128%0.279CS..  trans-55.9135.5174.4-24.335.1000111.2Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 3.84Å; Y208-P220 HydrophobicContact CD2-CG 4.06Å; Y208-P220 HydrophobicContact CE1-CG 4.44Å; Y208-P220 HydrophobicContact CE2-CB 3.83Å; Y208-P220 HydrophobicContact CE2-CG 3.8Å; Y208-P220 HydrophobicContact CG-CG 4.49Å; C211-P220 HydrophobicContact CB-CB 3.59Å; C211-P220 HydrophobicContact CB-CG 3.65Å; F212-P220 HydrophobicContact CB-CG 4.19Å; L217-P220 HydrophobicContact CB-CG 4.35Å; L217-P220 WeakPolarHBondContact O-CD 3.25Å; P220-L225 HydrophobicContact CB-CD1 4.05Å
221T92.7Very high93.9Very high71 Ų7156.6 Ų56.644%0.43628%0.282SS..  trans-111.7161.3176.569.10000110.6K219 A223 D224 L225K219-T221 PolarHBondContact O-N 2.92Å; T221-A223 PolarHBondContact O-N 2.9Å; T221-A223 VanDerWaalsContact O-N 3.12Å; T221-A223 PolarHBondContact OG1-N 2.79Å; T221-D224 WeakPolarHBondContact CB-OD2 3.4Å; T221-D224 PolarHBondContact N-OD2 3.05Å; T221-D224 WeakPolarHBondContact O-CB 3.38Å; T221-D224 PolarHBondContact O-N 2.79Å; T221-D224 PolarHBondContact OG1-N 3.16Å; T221-D224 PolarHBondContact OG1-OD2 2.78Å; T221-L225 WeakPolarHBondContact O-CD1 3.41Å; T221-L225 PolarHBondContact O-N 2.77Å; T221-L225 VanDerWaalsContact O-N 3.13Å
222F91.8Very high94Very high71 Ų7156.6 Ų56.631%0.31128%0.282SS..Hα-helixtrans-57.7-26.1172.8-74.8-66.7000113.1V175 E177 D224 L225 N226V175-F222 HydrophobicContact CG1-CE1 4.45Å; V175-F222 HydrophobicContact CG1-CZ 4.08Å; E177-F222 HydrophobicContact CG-CZ 4.49Å; E177-F222 VanDerWaalsContact OE1-CE2 3.26Å; E177-F222 WeakPolarHBondContact OE1-CE2 3.25Å; F222-D224 VanDerWaalsContact C-N 3.32Å; F222-D224 PolarHBondContact O-N 3.05Å; F222-L225 HydrophobicContact CD1-CD2 4.24Å; F222-L225 HydrophobicContact CE1-CD2 4.46Å; F222-L225 PolarHBondContact O-N 3.36Å; F222-N226 WeakPolarHBondContact O-CB 3.42Å; F222-N226 PolarHBondContact O-N 2.81Å; F222-N226 PolarHBondContact O-ND2 2.86Å; F222-N226 PolarHBondContact O-OD1 3.14Å
223A93.8Very high94.2Very high52 Ų5251.5 Ų51.543%0.4326%0.259SS..Hα-helixtrans-64.5-37.7173.100000112.3T221 H227T221-A223 PolarHBondContact O-N 2.9Å; T221-A223 VanDerWaalsContact O-N 3.12Å; T221-A223 PolarHBondContact OG1-N 2.79Å; A223-H227 PolarHBondContact O-N 3.43Å; A223-H227 VanDerWaalsContact O-N 3.14Å
224D94.4Very high94.4Very high52 Ų5244 Ų4428%0.27823%0.231SC..Hα-helixtrans-69.4-43.9176.3-54.4-61.2000111L217 T221 F222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.94Å; T221-D224 WeakPolarHBondContact CB-OD2 3.4Å; T221-D224 PolarHBondContact N-OD2 3.05Å; T221-D224 WeakPolarHBondContact O-CB 3.38Å; T221-D224 PolarHBondContact O-N 2.79Å; T221-D224 PolarHBondContact OG1-N 3.16Å; T221-D224 PolarHBondContact OG1-OD2 2.78Å; F222-D224 VanDerWaalsContact C-N 3.32Å; F222-D224 PolarHBondContact O-N 3.05Å; D224-H227 WeakPolarHBondContact O-CB 3.34Å; D224-H227 PolarHBondContact O-N 2.92Å; D224-L228 PolarHBondContact O-N 3.27Å
225L95.1Very high94.5Very high2 Ų242.7 Ų42.71%0.0122%0.222CC..Hα-helixtrans-62.4-49.8177-80.265000110.2N204 L207 P220 T221 F222 H227 L228 I229N204-L225 HydrophobicContact CB-CD2 4.46Å; L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.23Å; L207-L225 HydrophobicContact CB-CG 3.84Å; L207-L225 HydrophobicContact CD1-CB 4.27Å; L207-L225 HydrophobicContact CD1-CG 4.44Å; P220-L225 HydrophobicContact CB-CD1 4.05Å; T221-L225 WeakPolarHBondContact O-CD1 3.41Å; T221-L225 PolarHBondContact O-N 2.77Å; T221-L225 VanDerWaalsContact O-N 3.13Å; F222-L225 HydrophobicContact CD1-CD2 4.24Å; F222-L225 HydrophobicContact CE1-CD2 4.46Å; F222-L225 PolarHBondContact O-N 3.36Å; L225-H227 PolarHBondContact O-N 2.84Å; L225-L228 WeakPolarHBondContact O-CB 3.42Å; L225-L228 PolarHBondContact O-N 3.19Å; L225-I229 WeakPolarHBondContact O-CG1 3.37Å; L225-I229 PolarHBondContact O-N 2.89Å
226N95.3Very high94.6Very high9 Ų941.7 Ų41.75%0.04822%0.217CC..Hα-helixtrans-60.4-30.3179.5-68.1-13.5000112.4Q15 V16 F222 I229 S230Q15-N226 PolarHBondContact OE1-ND2 3.14Å; V16-N226 HydrophobicContact CG2-CB 4.15Å; V16-N226 VanDerWaalsContact CG2-OD1 3.3Å; V16-N226 WeakPolarHBondContact CG2-OD1 3.39Å; F222-N226 WeakPolarHBondContact O-CB 3.42Å; F222-N226 PolarHBondContact O-N 2.81Å; F222-N226 PolarHBondContact O-ND2 2.86Å; F222-N226 PolarHBondContact O-OD1 3.14Å; N226-I229 PolarHBondContact O-N 2.85Å; N226-S230 WeakPolarHBondContact O-CB 3.32Å; N226-S230 PolarHBondContact O-N 2.94Å; N226-S230 PolarHBondContact O-OG 2.89Å
227H95.5Very high94.6Very high85 Ų8533 Ų3339%0.39419%0.185SC..Hα-helixtrans-67.4-41.6173.1179.764.3000112.5A223 D224 L225 I229 S230 I231A223-H227 PolarHBondContact O-N 3.43Å; A223-H227 VanDerWaalsContact O-N 3.14Å; D224-H227 WeakPolarHBondContact O-CB 3.34Å; D224-H227 PolarHBondContact O-N 2.92Å; L225-H227 PolarHBondContact O-N 2.84Å; H227-I229 VanDerWaalsContact C-N 3.31Å; H227-S230 PolarHBondContact O-N 2.75Å; H227-S230 PolarHBondContact O-OG 3.37Å; H227-S230 VanDerWaalsContact O-OG 3.13Å; H227-I231 WeakPolarHBondContact O-CB 3.24Å; H227-I231 WeakPolarHBondContact O-CG2 3.21Å; H227-I231 PolarHBondContact O-N 3.24Å
228L96.4Very high94.6Very high6 Ų631 Ų313%0.03117%0.174CC..Hα-helixtrans-64.2-37.5173.9-69.9179000112L207 I210 L215 D224 L225 I231 V232 L273 M301L207-L228 HydrophobicContact CD2-CB 3.87Å; L207-L228 HydrophobicContact CD2-CD1 4.06Å; I210-L228 HydrophobicContact CB-CD1 4.25Å; I210-L228 HydrophobicContact CG2-CD1 3.72Å; L215-L228 HydrophobicContact CD1-CD1 4.49Å; L215-L228 HydrophobicContact CD1-CD2 4.35Å; D224-L228 PolarHBondContact O-N 3.27Å; L225-L228 WeakPolarHBondContact O-CB 3.42Å; L225-L228 PolarHBondContact O-N 3.19Å; L228-I231 VanDerWaalsContact O-CG2 3.29Å; L228-I231 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.44Å; L228-L273 HydrophobicContact CD2-CD2 3.68Å; L228-M301 HydrophobicContact CB-CE 4.01Å; L228-M301 HydrophobicContact CD2-CE 4.36Å; L228-M301 WeakPolarHBondContact O-CE 3.4Å
229I97.6Very high94.6Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-67.8-48.9177.1-58.1172.7000110.4V16 V169 I202 L207 L225 N226 H227 I231 V232 M233V16-I229 HydrophobicContact CG1-CB 4.01Å; V16-I229 HydrophobicContact CG1-CG2 3.42Å; V16-I229 VanDerWaalsContact CG1-CG2 3.42Å; V16-I229 HydrophobicContact CG2-CB 4.35Å; V16-I229 HydrophobicContact CG2-CD1 3.92Å; V16-I229 HydrophobicContact CG2-CG2 4.26Å; V169-I229 HydrophobicContact CG1-CD1 4.45Å; V169-I229 HydrophobicContact CG2-CD1 3.89Å; I202-I229 HydrophobicContact CD1-CG2 3.57Å; I202-I229 HydrophobicContact CG1-CG2 4.45Å; I202-I229 HydrophobicContact CG2-CD1 3.72Å; I202-I229 HydrophobicContact CG2-CG1 3.62Å; I202-I229 HydrophobicContact CG2-CG2 4.45Å; L207-I229 HydrophobicContact CD1-CD1 3.62Å; L207-I229 HydrophobicContact CD1-CG1 3.51Å; L225-I229 WeakPolarHBondContact O-CG1 3.37Å; L225-I229 PolarHBondContact O-N 2.89Å; N226-I229 PolarHBondContact O-N 2.85Å; H227-I229 VanDerWaalsContact C-N 3.31Å; I229-I231 VanDerWaalsContact C-N 3.3Å; I229-I231 PolarHBondContact O-N 2.92Å; I229-V232 VanDerWaalsContact O-CG1 3.27Å; I229-V232 WeakPolarHBondContact O-CG1 3.33Å; I229-V232 PolarHBondContact O-N 3.36Å; I229-M233 HydrophobicContact CG2-CG 4.31Å; I229-M233 HydrophobicContact CG2-SD 3.82Å; I229-M233 VanDerWaalsContact O-CG 3.23Å; I229-M233 WeakPolarHBondContact O-CG 3.22Å; I229-M233 PolarHBondContact O-N 3.4Å
230S97.1Very high94.6Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-65-34.7-177.4690000112.5L23 N226 H227 S234L23-S230 WeakPolarHBondContact CD1-O 3.09Å; L23-S230 VanDerWaalsContact CD1-OG 3.29Å; L23-S230 WeakPolarHBondContact CD1-OG 3.41Å; N226-S230 WeakPolarHBondContact O-CB 3.32Å; N226-S230 PolarHBondContact O-N 2.94Å; N226-S230 PolarHBondContact O-OG 2.89Å; H227-S230 PolarHBondContact O-N 2.75Å; H227-S230 PolarHBondContact O-OG 3.37Å; H227-S230 VanDerWaalsContact O-OG 3.13Å; S230-S234 WeakPolarHBondContact O-CB 3.45Å; S230-S234 PolarHBondContact O-N 3.05Å
231I96Very high94.6Very high10 Ų1018 Ų185%0.05110%0.101CC..Hα-helixtrans-71.3-38.3178-157.7166000112.1L23 H227 L228 I229 S234 G235 F270 P359 L362L23-I231 HydrophobicContact CD1-CB 4.28Å; H227-I231 WeakPolarHBondContact O-CB 3.24Å; H227-I231 WeakPolarHBondContact O-CG2 3.21Å; H227-I231 PolarHBondContact O-N 3.24Å; L228-I231 VanDerWaalsContact O-CG2 3.29Å; L228-I231 WeakPolarHBondContact O-CG2 3.46Å; I229-I231 VanDerWaalsContact C-N 3.3Å; I229-I231 PolarHBondContact O-N 2.92Å; I231-S234 PolarHBondContact O-N 3.47Å; I231-G235 PolarHBondContact O-N 2.88Å; I231-F270 HydrophobicContact CB-CE2 4.49Å; I231-F270 HydrophobicContact CD1-CE1 3.72Å; I231-F270 HydrophobicContact CD1-CE2 3.75Å; I231-F270 HydrophobicContact CD1-CZ 3.24Å; I231-F270 HydrophobicContact CG1-CD2 4.22Å; I231-F270 HydrophobicContact CG1-CE1 4.35Å; I231-F270 HydrophobicContact CG1-CE2 3.59Å; I231-F270 HydrophobicContact CG1-CZ 3.67Å; I231-F270 HydrophobicContact CG2-CD1 4.14Å; I231-F270 HydrophobicContact CG2-CD2 4.02Å; I231-F270 HydrophobicContact CG2-CE1 4.3Å; I231-F270 HydrophobicContact CG2-CE2 4.19Å; I231-F270 HydrophobicContact CG2-CG 3.99Å; I231-F270 HydrophobicContact CG2-CZ 4.33Å; I231-P359 HydrophobicContact CD1-CB 4.18Å; I231-P359 HydrophobicContact CD1-CG 4.45Å; I231-P359 HydrophobicContact CG1-CB 4.4Å; I231-P359 HydrophobicContact CG1-CG 4.45Å; I231-L362 HydrophobicContact CD1-CD1 4.12Å
232V96.8Very high94.4Very high1 Ų114.8 Ų14.81%0.0068%0.081CC..Hα-helixtrans-69.6-37.7176.181.50000111.4L228 I229 G235 A236 M301 T367L228-V232 PolarHBondContact O-N 3.44Å; I229-V232 VanDerWaalsContact O-CG1 3.27Å; I229-V232 WeakPolarHBondContact O-CG1 3.33Å; I229-V232 PolarHBondContact O-N 3.36Å; V232-G235 PolarHBondContact O-N 2.95Å; V232-A236 WeakPolarHBondContact O-CB 3.26Å; V232-A236 PolarHBondContact O-N 3.38Å; V232-M301 HydrophobicContact CB-CE 4.03Å; V232-M301 HydrophobicContact CB-SD 3.67Å; V232-M301 HydrophobicContact CG1-SD 3.61Å; V232-M301 HydrophobicContact CG2-CE 4.42Å; V232-M301 HydrophobicContact CG2-SD 3.96Å; V232-T367 HydrophobicContact CG2-CG2 3.78Å
233M97.3Very high93.5Very high0 Ų014.4 Ų14.40%09%0.085CC..Hα-helixtrans-62.8-45.4172.9-70.81685600112.4V16 F20 L136 F167 I229 G235 A236 T237V16-M233 HydrophobicContact CG1-SD 3.54Å; V16-M233 VanDerWaalsContact CG1-SD 3.54Å; F20-M233 HydrophobicContact CB-CE 3.74Å; F20-M233 HydrophobicContact CB-SD 4.5Å; F20-M233 HydrophobicContact CD1-CE 3.89Å; F20-M233 HydrophobicContact CD2-CB 3.72Å; F20-M233 HydrophobicContact CD2-CE 3.55Å; F20-M233 HydrophobicContact CE1-CE 4.34Å; F20-M233 HydrophobicContact CE2-CB 3.87Å; F20-M233 HydrophobicContact CE2-CE 4.01Å; F20-M233 HydrophobicContact CG-CE 3.45Å; F20-M233 VanDerWaalsContact CG-CE 3.45Å; F20-M233 HydrophobicContact CZ-CE 4.39Å; L136-M233 HydrophobicContact CD1-CE 3.67Å; L136-M233 HydrophobicContact CD2-CE 3.08Å; L136-M233 HydrophobicContact CD2-SD 3.35Å; L136-M233 WeakPolarHBondContact CD2-SD 3.35Å; L136-M233 HydrophobicContact CG-CE 3.88Å; F167-M233 HydrophobicContact CD1-CG 3.46Å; F167-M233 VanDerWaalsContact CD1-CG 3.46Å; F167-M233 HydrophobicContact CD1-SD 4.49Å; F167-M233 HydrophobicContact CE1-CB 4.2Å; F167-M233 HydrophobicContact CE1-CG 3.6Å; F167-M233 HydrophobicContact CG-CG 3.98Å; F167-M233 HydrophobicContact CZ-CG 4.24Å; I229-M233 HydrophobicContact CG2-CG 4.31Å; I229-M233 HydrophobicContact CG2-SD 3.82Å; I229-M233 VanDerWaalsContact O-CG 3.23Å; I229-M233 WeakPolarHBondContact O-CG 3.22Å; I229-M233 PolarHBondContact O-N 3.4Å; M233-G235 VanDerWaalsContact C-N 3.28Å; M233-G235 PolarHBondContact O-N 2.88Å; M233-A236 PolarHBondContact O-N 3.02Å; M233-T237 WeakPolarHBondContact O-CB 3.44Å; M233-T237 VanDerWaalsContact O-CG2 3.31Å; M233-T237 WeakPolarHBondContact O-CG2 3.34Å; M233-T237 PolarHBondContact O-N 3.44Å; M233-T237 PolarHBondContact O-OG1 3.39Å
234S95.8Very high92.1Very high0 Ų015.7 Ų15.70%010%0.103CC..Hα-helixtrans-60.2-43.4176.3176.70000110.7E27 S230 I231 T237 T238 R241 R319E27-S234 PolarHBondContact OE1-OG 3.44Å; E27-S234 PolarHBondContact OE2-OG 3.25Å; S230-S234 WeakPolarHBondContact O-CB 3.45Å; S230-S234 PolarHBondContact O-N 3.05Å; I231-S234 PolarHBondContact O-N 3.47Å; S234-T237 PolarHBondContact O-N 3.44Å; S234-T237 PolarHBondContact O-OG1 2.8Å; S234-T238 PolarHBondContact O-N 2.83Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 3.24Å; S234-R241 PolarHBondContact O-NH2 2.91Å; S234-R241 PolarHBondContact OG-NH2 3.47Å; S234-R241 VanDerWaalsContact OG-NH2 3.15Å; S234-R319 PolarHBondContact OG-NH1 2.99Å
235G95.1Very high90.8Very high1 Ų114.7 Ų14.71%0.0110%0.097CC..Hα-helixtrans-61.3-48175.100000113.7I231 V232 M233 T237 T238 I317 T367I231-G235 PolarHBondContact O-N 2.88Å; V232-G235 PolarHBondContact O-N 2.95Å; M233-G235 VanDerWaalsContact C-N 3.28Å; M233-G235 PolarHBondContact O-N 2.88Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 3.28Å; G235-T238 WeakPolarHBondContact CA-OG1 3.36Å; G235-T238 VanDerWaalsContact O-CB 3.26Å; G235-T238 WeakPolarHBondContact O-CB 3.42Å; G235-T238 PolarHBondContact O-N 2.71Å; G235-T238 PolarHBondContact O-OG1 3.39Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; G235-I317 WeakPolarHBondContact O-CD1 3.47Å; G235-T367 WeakPolarHBondContact CA-OG1 3.37Å
236A94.1Very high89.1Confident4 Ų417.9 Ų17.93%0.03312%0.117CC..Hα-helixtrans-61.4-35179.800000112.5F167 F200 V232 M233 I369F167-A236 HydrophobicContact CE1-CB 4.48Å; F167-A236 HydrophobicContact CZ-CB 4.34Å; F200-A236 HydrophobicContact CE1-CB 4.21Å; V232-A236 WeakPolarHBondContact O-CB 3.26Å; V232-A236 PolarHBondContact O-N 3.38Å; M233-A236 PolarHBondContact O-N 3.02Å; A236-I369 HydrophobicContact CB-CD1 3.97Å; A236-I369 HydrophobicContact CB-CG1 4.5Å
237T94.2Very high87.8Confident2 Ų217.6 Ų17.61%0.01212%0.115CC..THydrogen-bonded Turntrans-94.32.3-178.261.40000113.6Y50 M233 S234 G235 C239 F240 R241Y50-T237 WeakPolarHBondContact OH-CB 3.37Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.43Å; M233-T237 WeakPolarHBondContact O-CB 3.44Å; M233-T237 VanDerWaalsContact O-CG2 3.31Å; M233-T237 WeakPolarHBondContact O-CG2 3.34Å; M233-T237 PolarHBondContact O-N 3.44Å; M233-T237 PolarHBondContact O-OG1 3.39Å; S234-T237 PolarHBondContact O-N 3.44Å; S234-T237 PolarHBondContact O-OG1 2.8Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 3.28Å; T237-C239 VanDerWaalsContact C-N 3.27Å; T237-C239 PolarHBondContact O-N 3.13Å; T237-F240 HydrophobicContact CG2-CD2 4.15Å; T237-F240 HydrophobicContact CG2-CE2 4.09Å; T237-F240 PolarHBondContact O-N 2.78Å; T237-F240 VanDerWaalsContact O-N 3.15Å; T237-R241 PolarHBondContact O-NE 3.04Å
238T93.2Very high86.9Confident0 Ų015.7 Ų15.70%011%0.114CC..Hα-helixtrans-58.9-39.3-177.5-670000111.7S234 G235 F240 R241 F242 I317 R319 C355S234-T238 PolarHBondContact O-N 2.83Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 3.24Å; G235-T238 WeakPolarHBondContact CA-OG1 3.36Å; G235-T238 VanDerWaalsContact O-CB 3.26Å; G235-T238 WeakPolarHBondContact O-CB 3.42Å; G235-T238 PolarHBondContact O-N 2.71Å; G235-T238 PolarHBondContact O-OG1 3.39Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; T238-F240 PolarHBondContact O-N 2.79Å; T238-R241 PolarHBondContact O-N 2.96Å; T238-R241 VanDerWaalsContact O-N 3.17Å; T238-R241 PolarHBondContact OG1-NH2 3.22Å; T238-F242 HydrophobicContact CG2-CD2 3.84Å; T238-F242 HydrophobicContact CG2-CE2 4.43Å; T238-F242 PolarHBondContact O-N 3.29Å; T238-F242 VanDerWaalsContact O-N 3.1Å; T238-I317 HydrophobicContact CG2-CG2 4.34Å; T238-R319 HydrophobicContact CG2-CG 4.14Å; T238-R319 WeakPolarHBondContact OG1-CD 3.37Å; T238-R319 PolarHBondContact OG1-NH1 3.37Å; T238-C355 HydrophobicContact CG2-CB 3.5Å; T238-C355 VanDerWaalsContact CG2-CB 3.5Å
239C90Very high86.4Confident5 Ų516 Ų163%0.03412%0.116CC..Hα-helixtrans-69.2-16.2-177.9-58.70000114T237 Q245 N247 A353T237-C239 VanDerWaalsContact C-N 3.27Å; T237-C239 PolarHBondContact O-N 3.13Å; C239-Q245 HydrophobicContact CB-CB 3.78Å; C239-Q245 HydrophobicContact CB-CG 4.22Å; C239-N247 HydrophobicContact CB-CB 4.3Å; C239-N247 WeakPolarHBondContact CB-O 3.46Å; C239-A353 WeakPolarHBondContact SG-CB 3.42Å
240F91.4Very high86.1Confident5 Ų516 Ų162%0.02212%0.116CC..Hα-helixtrans-84.6-28.7176-45.7-30.7000111I4 V49 T237 T238 N247 D249 L250 L253I4-F240 HydrophobicContact CD1-CB 4.39Å; I4-F240 HydrophobicContact CD1-CD2 3.77Å; I4-F240 HydrophobicContact CD1-CE2 4.44Å; I4-F240 HydrophobicContact CD1-CG 4.31Å; V49-F240 HydrophobicContact CG1-CB 4.2Å; V49-F240 WeakPolarHBondContact CG2-O 3.29Å; T237-F240 HydrophobicContact CG2-CD2 4.15Å; T237-F240 HydrophobicContact CG2-CE2 4.09Å; T237-F240 PolarHBondContact O-N 2.78Å; T237-F240 VanDerWaalsContact O-N 3.15Å; T238-F240 PolarHBondContact O-N 2.79Å; F240-N247 WeakPolarHBondContact CE1-O 3.34Å; F240-D249 VanDerWaalsContact CD1-CA 3.45Å; F240-D249 WeakPolarHBondContact CE1-O 3.24Å; F240-L250 HydrophobicContact CE2-CD2 3.54Å; F240-L250 HydrophobicContact CE2-CG 3.93Å; F240-L250 HydrophobicContact CZ-CD2 3.7Å; F240-L250 HydrophobicContact CZ-CG 4.07Å; F240-L253 HydrophobicContact CZ-CD2 4.09Å
241R92.1Very high85.9Confident2 Ų221.2 Ų21.21%0.00814%0.136CC..Hα-helixtrans-98.4-16-171.9-64.1-179.9-64107.5-6.3114.2E27 H28 Y50 S234 T237 T238E27-R241 IonicContact OE2-CZ 2.64Å; E27-R241 IonicContact OE2-NH1 3.84Å; E27-R241 PolarHBondContact OE2-NH1 2.78Å; E27-R241 IonicContact OE2-NH2 2.69Å; E27-R241 PolarHBondContact OE2-NH2 3.31Å; H28-R241 PolarHBondContact NE2-NH1 3.34Å; H28-R241 VanDerWaalsContact NE2-NH1 3.17Å; Y50-R241 HydrophobicContact CD2-CG 3.61Å; Y50-R241 HydrophobicContact CE2-CG 3.71Å; S234-R241 PolarHBondContact O-NH2 2.91Å; S234-R241 PolarHBondContact OG-NH2 3.47Å; S234-R241 VanDerWaalsContact OG-NH2 3.15Å; T237-R241 PolarHBondContact O-NE 3.04Å; T238-R241 PolarHBondContact O-N 2.96Å; T238-R241 VanDerWaalsContact O-N 3.17Å; T238-R241 PolarHBondContact OG1-NH2 3.22Å
242F89.1Confident85.7Confident4 Ų424.8 Ų24.82%0.01815%0.151CC..SBendtrans-132.2133.5179.3-58.4-66.8000111.3E27 H28 L42 T238 C355 I357E27-F242 HydrophobicContact CB-CZ 4.35Å; H28-F242 AromaticContact CE1-CE1 3.45Å; H28-F242 VanDerWaalsContact CE1-CE1 3.45Å; H28-F242 WeakPolarHBondContact CE1-CE1 3.4Å; H28-F242 AromaticContact CE1-CZ 3.57Å; H28-F242 AromaticContact ND1-CE1 3.89Å; H28-F242 AromaticContact NE2-CZ 3.75Å; L42-F242 HydrophobicContact CD1-CD1 4.41Å; L42-F242 HydrophobicContact CG-CD1 4.29Å; L42-F242 WeakPolarHBondContact O-CD1 3.39Å; T238-F242 HydrophobicContact CG2-CD2 3.84Å; T238-F242 HydrophobicContact CG2-CE2 4.43Å; T238-F242 PolarHBondContact O-N 3.29Å; T238-F242 VanDerWaalsContact O-N 3.1Å; F242-C355 WeakPolarHBondContact CD2-SG 3.26Å; F242-I357 HydrophobicContact CD1-CD1 3.68Å; F242-I357 HydrophobicContact CE1-CD1 3.22Å; F242-I357 HydrophobicContact CE2-CD1 4.38Å; F242-I357 HydrophobicContact CG-CD1 4.44Å; F242-I357 HydrophobicContact CZ-CB 4.38Å; F242-I357 HydrophobicContact CZ-CD1 3.61Å; F242-I357 HydrophobicContact CZ-CG2 4.34Å
243P73.4Confident85.5Confident62 Ų6224.9 Ų24.940%0.40315%0.151SC..SBendtrans-66.8162-174.425.8-34.3000113.6L42 E45 Q245L42-P243 HydrophobicContact CD1-CG 4.07Å; E45-P243 HydrophobicContact CB-CG 4.13Å; E45-P243 HydrophobicContact CG-CG 3.94Å; P243-Q245 PolarHBondContact O-NE2 3.14Å
244G65Low85.3Confident79 Ų7925.5 Ų25.581%0.81416%0.156SC*.SBendtrans94.913168.800000116.8
245Q66Low85.1Confident31 Ų3130.8 Ų30.815%0.14519%0.189CC..  trans-110.8152.2-169.8-51.4-50.1-49.200114.3C239 P243 N247 A353 T354C239-Q245 HydrophobicContact CB-CB 3.78Å; C239-Q245 HydrophobicContact CB-CG 4.22Å; P243-Q245 PolarHBondContact O-NE2 3.14Å; Q245-N247 VanDerWaalsContact C-N 3.31Å; Q245-N247 PolarHBondContact O-N 3.42Å; Q245-A353 HydrophobicContact CB-CB 4.22Å; Q245-A353 HydrophobicContact CG-CB 4.43Å; Q245-A353 VanDerWaalsContact OE1-CB 3.29Å; Q245-T354 PolarHBondContact NE2-O 3.23Å; Q245-T354 PolarHBondContact OE1-O 3.17Å; Q245-T354 VanDerWaalsContact OE1-O 3.14Å
246V60.3Low84.9Confident69 Ų6932.6 Ų32.642%0.41820%0.198SC..SBendtrans-62.5-36.2-179-178.70000111.9K252 V352V246-K252 WeakPolarHBondContact O-CD 3.25Å; V246-K252 WeakPolarHBondContact O-CE 3.47Å; V246-K252 PolarHBondContact O-NZ 2.92Å; V246-V352 WeakPolarHBondContact CG2-O 3.25Å
247N68Low84.9Confident4 Ų432.4 Ų32.42%0.02120%0.196CC..  trans-103.965-179.5-64.8-26.2000111.5C239 F240 Q245 D249 L253 N256C239-N247 HydrophobicContact CB-CB 4.3Å; C239-N247 WeakPolarHBondContact CB-O 3.46Å; F240-N247 WeakPolarHBondContact CE1-O 3.34Å; Q245-N247 VanDerWaalsContact C-N 3.31Å; Q245-N247 PolarHBondContact O-N 3.42Å; N247-D249 PolarHBondContact O-N 2.79Å; N247-D249 VanDerWaalsContact O-N 3.14Å; N247-L253 HydrophobicContact CB-CB 4.49Å; N247-L253 HydrophobicContact CB-CD1 4.16Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.4Å; N247-N256 PolarHBondContact OD1-ND2 3.4Å
248A76.1Confident84.9Confident45 Ų4533.5 Ų33.537%0.37220%0.202SC..  trans-65.9-14.3-171.800000115.2
249D86.4Confident84.8Confident11 Ų1135.9 Ų35.96%0.05922%0.217CC..SBendtrans-157.2165-177.361.482.1000111.1R2 Q131 F240 N247 R251 K252 L253R2-D249 IonicContact CZ-OD2 3.25Å; R2-D249 IonicContact NH1-OD1 2.9Å; R2-D249 PolarHBondContact NH1-OD1 2.79Å; R2-D249 IonicContact NH1-OD2 2.73Å; R2-D249 PolarHBondContact NH1-OD2 2.83Å; Q131-D249 HydrophobicContact CG-CB 4.37Å; F240-D249 VanDerWaalsContact CD1-CA 3.45Å; F240-D249 WeakPolarHBondContact CE1-O 3.24Å; N247-D249 PolarHBondContact O-N 2.79Å; N247-D249 VanDerWaalsContact O-N 3.14Å; D249-R251 PolarHBondContact O-N 3.05Å; D249-R251 WeakPolarHBondContact OD1-CB 3.5Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 VanDerWaalsContact OD1-N 3.12Å; D249-K252 PolarHBondContact O-N 3.41Å; D249-K252 WeakPolarHBondContact OD1-CB 3.36Å; D249-K252 PolarHBondContact OD1-N 3.13Å; D249-L253 PolarHBondContact O-N 2.93Å
250L90.8Very high84.9Confident2 Ų236.3 Ų36.31%0.0122%0.218CC..Hα-helixtrans-56.6-48.8179.8-73.6168.2000110.9I4 Q131 M163 A165 E198 F240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.98Å; I4-L250 HydrophobicContact CD1-CG 4.22Å; I4-L250 HydrophobicContact CG1-CD1 4.14Å; Q131-L250 VanDerWaalsContact NE2-CB 3.3Å; M163-L250 HydrophobicContact CB-CB 3.91Å; M163-L250 HydrophobicContact CB-CD1 4.24Å; M163-L250 HydrophobicContact CG-CB 4.08Å; A165-L250 HydrophobicContact CB-CD1 4.48Å; A165-L250 HydrophobicContact CB-CD2 3.79Å; E198-L250 WeakPolarHBondContact OE2-CD2 3.42Å; F240-L250 HydrophobicContact CE2-CD2 3.54Å; F240-L250 HydrophobicContact CE2-CG 3.93Å; F240-L250 HydrophobicContact CZ-CD2 3.7Å; F240-L250 HydrophobicContact CZ-CG 4.07Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.8Å; L250-L253 WeakPolarHBondContact O-CA 3.39Å; L250-L253 WeakPolarHBondContact O-CB 3.18Å; L250-L253 PolarHBondContact O-N 2.58Å; L250-A254 PolarHBondContact O-N 2.91Å
251R92.9Very high84.9Confident109 Ų10941.4 Ų41.441%0.41125%0.252SS..Hα-helixtrans-60.4-40.2-178.9-174.7178.1-58.2-74-4.1111.9D161 M163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 2.81Å; M163-R251 HydrophobicContact CG-CB 3.92Å; M163-R251 HydrophobicContact SD-CB 3.93Å; M163-R251 HydrophobicContact SD-CG 4.1Å; D249-R251 PolarHBondContact O-N 3.05Å; D249-R251 WeakPolarHBondContact OD1-CB 3.5Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 VanDerWaalsContact OD1-N 3.12Å; R251-L253 VanDerWaalsContact C-N 3.35Å; R251-A254 PolarHBondContact O-N 3.25Å; R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.24Å; R251-V255 PolarHBondContact O-N 3.43Å
252K91.4Very high85Confident85 Ų8545.4 Ų45.437%0.3727%0.267SS..Hα-helixtrans-69-35.1177.1-167.3173.8-172.3-163.60111.7V246 D249 L250 N256V246-K252 WeakPolarHBondContact O-CD 3.25Å; V246-K252 WeakPolarHBondContact O-CE 3.47Å; V246-K252 PolarHBondContact O-NZ 2.92Å; D249-K252 PolarHBondContact O-N 3.41Å; D249-K252 WeakPolarHBondContact OD1-CB 3.36Å; D249-K252 PolarHBondContact OD1-N 3.13Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.8Å; K252-N256 VanDerWaalsContact O-CB 3.26Å; K252-N256 WeakPolarHBondContact O-CB 3.17Å; K252-N256 PolarHBondContact O-N 3.22Å; K252-N256 VanDerWaalsContact O-N 3.09Å; K252-N256 PolarHBondContact O-ND2 2.86Å; K252-N256 VanDerWaalsContact O-ND2 3.16Å
253L92.1Very high85.4Confident2 Ų245.2 Ų45.21%0.0127%0.266CS..Hα-helixtrans-61.3-52.1170.9-177.766.6000110.1E198 F200 F240 N247 D249 L250 R251 V255 N256 M257 I369E198-L253 WeakPolarHBondContact OE1-CB 3.37Å; F200-L253 HydrophobicContact CZ-CD2 3.83Å; F240-L253 HydrophobicContact CZ-CD2 4.09Å; N247-L253 HydrophobicContact CB-CB 4.49Å; N247-L253 HydrophobicContact CB-CD1 4.16Å; N247-L253 WeakPolarHBondContact ND2-CD1 3.4Å; D249-L253 PolarHBondContact O-N 2.93Å; L250-L253 WeakPolarHBondContact O-CA 3.39Å; L250-L253 WeakPolarHBondContact O-CB 3.18Å; L250-L253 PolarHBondContact O-N 2.58Å; R251-L253 VanDerWaalsContact C-N 3.35Å; L253-V255 PolarHBondContact O-N 3.1Å; L253-N256 PolarHBondContact O-N 3.28Å; L253-N256 VanDerWaalsContact O-N 3.14Å; L253-M257 HydrophobicContact CD1-CG 3.62Å; L253-M257 HydrophobicContact CG-CG 4.23Å; L253-M257 WeakPolarHBondContact O-CB 3.24Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.46Å; L253-M257 PolarHBondContact O-N 3.16Å; L253-I369 HydrophobicContact CD1-CD1 4.5Å; L253-I369 HydrophobicContact CD2-CD1 4.49Å
254A93.4Very high86.5Confident14 Ų1442.4 Ų42.412%0.11625%0.248CC..Hα-helixtrans-54-53.3176.600000112.4E198 L250 R251 N256 M257 I258E198-A254 HydrophobicContact CG-CB 4.11Å; E198-A254 WeakPolarHBondContact OE1-CA 3.38Å; E198-A254 WeakPolarHBondContact OE1-CB 3.33Å; E198-A254 PolarHBondContact OE1-N 3.1Å; L250-A254 PolarHBondContact O-N 2.91Å; R251-A254 PolarHBondContact O-N 3.25Å; A254-N256 PolarHBondContact O-N 3.06Å; A254-M257 PolarHBondContact O-N 3.29Å; A254-M257 VanDerWaalsContact O-N 3.13Å; A254-I258 HydrophobicContact CB-CD1 4.11Å; A254-I258 WeakPolarHBondContact O-CB 3.43Å; A254-I258 PolarHBondContact O-N 2.75Å
255V92.3Very high88.1Confident111 Ų11138.8 Ų38.867%0.67321%0.21SC*.Hα-helixtrans-58.5-35.9179.2169.40000112.2R251 L253R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.24Å; R251-V255 PolarHBondContact O-N 3.43Å; L253-V255 PolarHBondContact O-N 3.1Å
256N90.9Very high89.6Confident38 Ų3837.3 Ų37.320%0.20320%0.203CC..Hα-helixtrans-80.4-26.2-179.6-77.2-26.4000113.6N247 K252 L253 A254 K351N247-N256 PolarHBondContact OD1-ND2 3.4Å; K252-N256 VanDerWaalsContact O-CB 3.26Å; K252-N256 WeakPolarHBondContact O-CB 3.17Å; K252-N256 PolarHBondContact O-N 3.22Å; K252-N256 VanDerWaalsContact O-N 3.09Å; K252-N256 PolarHBondContact O-ND2 2.86Å; K252-N256 VanDerWaalsContact O-ND2 3.16Å; L253-N256 PolarHBondContact O-N 3.28Å; L253-N256 VanDerWaalsContact O-N 3.14Å; A254-N256 PolarHBondContact O-N 3.06Å; N256-K351 HydrophobicContact CB-CG 4.34Å
257M93.3Very high91.4Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-111.4-19.9-167.3-66-61-69.300113.7L253 A254 P259 F266 T313 T314 A315 K351 I369 N371L253-M257 HydrophobicContact CD1-CG 3.62Å; L253-M257 HydrophobicContact CG-CG 4.23Å; L253-M257 WeakPolarHBondContact O-CB 3.24Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.46Å; L253-M257 PolarHBondContact O-N 3.16Å; A254-M257 PolarHBondContact O-N 3.29Å; A254-M257 VanDerWaalsContact O-N 3.13Å; M257-P259 WeakPolarHBondContact O-CD 3.37Å; M257-F266 HydrophobicContact CB-CE1 3.68Å; M257-F266 HydrophobicContact CB-CZ 3.67Å; M257-T313 VanDerWaalsContact C-OG1 3.31Å; M257-T313 VanDerWaalsContact CA-OG1 3.25Å; M257-T313 WeakPolarHBondContact CA-OG1 3.02Å; M257-T313 WeakPolarHBondContact CE-OG1 3.4Å; M257-T313 PolarHBondContact O-OG1 3.28Å; M257-T314 VanDerWaalsContact CE-C 3.43Å; M257-A315 HydrophobicContact CE-CB 3.95Å; M257-A315 HydrophobicContact SD-CB 3.85Å; M257-K351 HydrophobicContact SD-CG 4.31Å; M257-I369 HydrophobicContact CE-CB 4.34Å; M257-I369 HydrophobicContact CE-CG2 4.01Å; M257-I369 WeakPolarHBondContact CE-O 3.37Å; M257-N371 WeakPolarHBondContact O-CB 3.49Å; M257-N371 PolarHBondContact O-ND2 2.97Å
258I94.6Very high92.8Very high25 Ų2533.9 Ų33.913%0.12818%0.182CC..  trans-119.491.1-172.1-55.7171.5000108.6D197 E198 A254 F260 H264 F266D197-I258 WeakPolarHBondContact O-CD1 3.13Å; E198-I258 HydrophobicContact CG-CD1 4.08Å; A254-I258 HydrophobicContact CB-CD1 4.11Å; A254-I258 WeakPolarHBondContact O-CB 3.43Å; A254-I258 PolarHBondContact O-N 2.75Å; I258-F260 VanDerWaalsContact C-N 3.28Å; I258-F260 WeakPolarHBondContact CG2-O 3.4Å; I258-H264 HydrophobicContact CD1-CB 3.63Å; I258-H264 HydrophobicContact CG1-CB 4.35Å; I258-H264 HydrophobicContact CG2-CB 4.24Å; I258-F266 HydrophobicContact CD1-CE1 4.37Å; I258-F266 HydrophobicContact CD1-CE2 4.34Å; I258-F266 HydrophobicContact CD1-CZ 3.66Å; I258-F266 HydrophobicContact CG1-CE1 3.81Å; I258-F266 HydrophobicContact CG1-CZ 3.51Å
259P91.8Very high93.7Very high50 Ų5031.8 Ų31.833%0.32517%0.165SC..SBendtrans-71.1-25.6175.527.7-33000112.5M257 L312 I346M257-P259 WeakPolarHBondContact O-CD 3.37Å; P259-L312 HydrophobicContact CG-CB 3.99Å; P259-L312 HydrophobicContact CG-CD1 4.19Å; P259-L312 HydrophobicContact CG-CD2 4.02Å; P259-L312 HydrophobicContact CG-CG 4.3Å; P259-I346 HydrophobicContact CG-CD1 4.34Å
260F92.4Very high94.3Very high14 Ų1431.6 Ų31.66%0.06116%0.164CC..SBendtrans-127.2122.3-178.4-55.4-60.2000109.7I258 R262 L263 L312 W345 Y426 A437I258-F260 VanDerWaalsContact C-N 3.28Å; I258-F260 WeakPolarHBondContact CG2-O 3.4Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3.18Å; F260-R262 VanDerWaalsContact O-N 3.15Å; F260-L263 HydrophobicContact CB-CB 4.24Å; F260-L263 HydrophobicContact CB-CD1 4.43Å; F260-L263 HydrophobicContact CB-CG 4.03Å; F260-L263 HydrophobicContact CD2-CD1 4.1Å; F260-L263 PolarHBondContact O-N 2.78Å; F260-L312 HydrophobicContact CD2-CD1 4.44Å; F260-L312 HydrophobicContact CD2-CD2 4.19Å; F260-L312 HydrophobicContact CE2-CD2 3.89Å; F260-W345 AromaticContact CE2-CH2 3.63Å; F260-W345 HydrophobicContact CE2-CH2 3.63Å; F260-W345 HydrophobicContact CE2-CZ2 4.22Å; F260-W345 AromaticContact CZ-CH2 3.4Å; F260-W345 HydrophobicContact CZ-CH2 3.4Å; F260-W345 HydrophobicContact CZ-CZ2 4.1Å; F260-W345 HydrophobicContact CZ-CZ3 4.18Å; F260-Y426 HydrophobicContact CD1-CE1 4.21Å; F260-Y426 AromaticContact CD1-CZ 3.93Å; F260-Y426 HydrophobicContact CD2-CD1 4.24Å; F260-Y426 HydrophobicContact CD2-CD2 4.45Å; F260-Y426 AromaticContact CD2-CE1 3.91Å; F260-Y426 HydrophobicContact CD2-CE1 3.91Å; F260-Y426 HydrophobicContact CD2-CE2 4.11Å; F260-Y426 HydrophobicContact CD2-CG 4.5Å; F260-Y426 AromaticContact CD2-CZ 3.83Å; F260-Y426 AromaticContact CE1-CE1 3.79Å; F260-Y426 HydrophobicContact CE1-CE1 3.79Å; F260-Y426 AromaticContact CE1-CZ 3.99Å; F260-Y426 AromaticContact CE2-CD1 3.6Å; F260-Y426 HydrophobicContact CE2-CD1 3.6Å; F260-Y426 AromaticContact CE2-CE1 3.39Å; F260-Y426 HydrophobicContact CE2-CE1 3.39Å; F260-Y426 HydrophobicContact CE2-CE2 4.39Å; F260-Y426 HydrophobicContact CE2-CG 4.21Å; F260-Y426 AromaticContact CE2-CZ 3.83Å; F260-Y426 HydrophobicContact CG-CE1 4.26Å; F260-Y426 HydrophobicContact CG-CE2 4.27Å; F260-Y426 AromaticContact CG-CZ 3.85Å; F260-Y426 AromaticContact CZ-CD1 3.89Å; F260-Y426 HydrophobicContact CZ-CD1 3.89Å; F260-Y426 AromaticContact CZ-CE1 3.32Å; F260-Y426 HydrophobicContact CZ-CE1 3.32Å; F260-Y426 AromaticContact CZ-CZ 3.9Å; F260-A437 HydrophobicContact CD1-CB 3.92Å; F260-A437 HydrophobicContact CE1-CB 3.36Å; F260-A437 HydrophobicContact CZ-CB 4.27Å
261P91.5Very high94.5Very high112 Ų11231.5 Ų31.573%0.72716%0.163SC*.THydrogen-bonded Turntrans-53.2-40.3-171.1-30.635.6000114.8L263 H264P261-L263 VanDerWaalsContact C-N 3.28Å; P261-L263 PolarHBondContact O-N 2.88Å; P261-H264 PolarHBondContact O-CD2 3.18Å
262R94.4Very high94.6Very high86 Ų8626.8 Ų26.833%0.32515%0.146SC..THydrogen-bonded Turntrans-72.8-18.8179.1-67.6-171.272.4-158.811.1113.9F260 H264 E422F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3.18Å; F260-R262 VanDerWaalsContact O-N 3.15Å; R262-H264 VanDerWaalsContact C-N 3.29Å; R262-H264 PolarHBondContact O-N 3.25Å; R262-E422 VanDerWaalsContact CD-OE2 3.31Å; R262-E422 WeakPolarHBondContact CD-OE2 3.31Å; R262-E422 IonicContact CZ-OE2 3.16Å; R262-E422 IonicContact NE-OE2 3.89Å; R262-E422 IonicContact NH1-OE2 3.82Å; R262-E422 PolarHBondContact NH1-OE2 2.91Å
263L96.1Very high94.7Very high0 Ų023.4 Ų23.40%013%0.133CC..  trans-96.754.6-178-51.6-161000110.4F260 P261 L312 N371 L419 E422 Y423 Y426F260-L263 HydrophobicContact CB-CB 4.24Å; F260-L263 HydrophobicContact CB-CD1 4.43Å; F260-L263 HydrophobicContact CB-CG 4.03Å; F260-L263 HydrophobicContact CD2-CD1 4.1Å; F260-L263 PolarHBondContact O-N 2.78Å; P261-L263 VanDerWaalsContact C-N 3.28Å; P261-L263 PolarHBondContact O-N 2.88Å; L263-L312 HydrophobicContact CB-CD1 4.2Å; L263-L312 HydrophobicContact CD1-CD1 3.92Å; L263-N371 PolarHBondContact O-ND2 3.35Å; L263-N371 PolarHBondContact O-OD1 2.92Å; L263-L419 HydrophobicContact CD2-CD1 4.16Å; L263-E422 HydrophobicContact CD2-CG 4.09Å; L263-Y423 WeakPolarHBondContact CA-OH 3.37Å; L263-Y423 HydrophobicContact CB-CE1 3.79Å; L263-Y423 HydrophobicContact CD1-CD1 3.73Å; L263-Y423 HydrophobicContact CD1-CE1 3.72Å; L263-Y423 HydrophobicContact CD1-CG 4.48Å; L263-Y423 HydrophobicContact CD2-CD1 3.92Å; L263-Y423 HydrophobicContact CD2-CD2 3.97Å; L263-Y423 HydrophobicContact CD2-CE1 3.71Å; L263-Y423 HydrophobicContact CD2-CE2 3.72Å; L263-Y423 HydrophobicContact CD2-CG 4.06Å; L263-Y423 HydrophobicContact CG-CD1 4.3Å; L263-Y423 HydrophobicContact CG-CE1 3.93Å; L263-Y426 HydrophobicContact CD1-CD2 3.55Å; L263-Y426 HydrophobicContact CD1-CE2 3.91Å; L263-Y426 HydrophobicContact CD1-CG 4.32Å
264H97.2Very high94.5Very high4 Ų424.5 Ų24.52%0.01914%0.137CC..  trans-96.810.4-176.561.964.5000114.3L192 V193 S196 D197 T199 I258 P261 R262L192-H264 PolarHBondContact O-CE1 2.81Å; L192-H264 PolarHBondContact O-NE2 3.46Å; V193-H264 PolarHBondContact O-NE2 3.34Å; S196-H264 PolarHBondContact O-CD2 3.49Å; S196-H264 PolarHBondContact O-NE2 2.81Å; D197-H264 VanDerWaalsContact O-CB 3.28Å; D197-H264 WeakPolarHBondContact O-CB 3.34Å; T199-H264 PolarHBondContact N-O 3.41Å; T199-H264 PolarHBondContact OG1-CE1 2.8Å; T199-H264 PolarHBondContact OG1-ND1 2.93Å; I258-H264 HydrophobicContact CD1-CB 3.63Å; I258-H264 HydrophobicContact CG1-CB 4.35Å; I258-H264 HydrophobicContact CG2-CB 4.24Å; P261-H264 PolarHBondContact O-CD2 3.18Å; R262-H264 VanDerWaalsContact C-N 3.29Å; R262-H264 PolarHBondContact O-N 3.25Å
265F98.3Very high94.1Very high3 Ų324 Ų241%0.01313%0.133CC..EExtended strand (participates in β ladder)trans-90.7117.3-177.9-63.2-96.1000111T189 L192 V193 T199 I375 F379 L419T189-F265 HydrophobicContact CG2-CE1 4.13Å; T189-F265 HydrophobicContact CG2-CZ 4.12Å; L192-F265 HydrophobicContact CB-CE1 4.42Å; L192-F265 HydrophobicContact CB-CZ 4.42Å; V193-F265 HydrophobicContact CG2-CE2 3.91Å; V193-F265 HydrophobicContact CG2-CZ 3.73Å; T199-F265 HydrophobicContact CG2-CD1 3.52Å; T199-F265 HydrophobicContact CG2-CE1 3.66Å; T199-F265 CarbonylContact O-C 3.46Å; T199-F265 WeakPolarHBondContact O-CA 3.46Å; F265-I375 HydrophobicContact CB-CG1 4.02Å; F265-F379 HydrophobicContact CB-CZ 4.19Å; F265-F379 HydrophobicContact CD1-CE1 4.3Å; F265-F379 AromaticContact CD1-CZ 3.65Å; F265-F379 HydrophobicContact CD1-CZ 3.65Å; F265-F379 HydrophobicContact CD2-CE2 4.43Å; F265-F379 HydrophobicContact CD2-CZ 4.02Å; F265-F379 HydrophobicContact CE1-CE1 4.28Å; F265-F379 AromaticContact CE1-CZ 3.93Å; F265-F379 HydrophobicContact CE1-CZ 3.93Å; F265-F379 HydrophobicContact CE2-CZ 4.28Å; F265-F379 HydrophobicContact CG-CE2 4.35Å; F265-F379 AromaticContact CG-CZ 3.69Å; F265-F379 HydrophobicContact CG-CZ 3.69Å; F265-F379 HydrophobicContact CZ-CZ 4.23Å; F265-L419 HydrophobicContact CD2-CD2 4.42Å; F265-L419 HydrophobicContact CE2-CD1 4.48Å; F265-L419 HydrophobicContact CE2-CD2 3.88Å; F265-L419 HydrophobicContact CZ-CD2 4.31Å
266F97.9Very high93.6Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-98.5134.7-176.9-59.5-49.1000112.5E198 T199 F200 C201 M257 I258 I369 N371E198-F266 HydrophobicContact CB-CE2 3.92Å; E198-F266 HydrophobicContact CG-CE2 4.05Å; T199-F266 PolarHBondContact O-N 2.86Å; F200-F266 HydrophobicContact CD1-CB 4.29Å; F200-F266 AromaticContact CD1-CD2 3.96Å; F200-F266 HydrophobicContact CD1-CD2 3.96Å; F200-F266 HydrophobicContact CD2-CD2 4.49Å; F200-F266 AromaticContact CE1-CD2 3.73Å; F200-F266 HydrophobicContact CE1-CD2 3.73Å; F200-F266 HydrophobicContact CE1-CE2 4.34Å; F200-F266 HydrophobicContact CE2-CD2 4.28Å; F200-F266 HydrophobicContact CG-CD2 4.33Å; F200-F266 AromaticContact CZ-CD2 3.91Å; F200-F266 HydrophobicContact CZ-CD2 3.91Å; F200-F266 HydrophobicContact CZ-CE2 4.12Å; C201-F266 WeakPolarHBondContact CB-O 3.4Å; C201-F266 PolarHBondContact N-O 2.76Å; M257-F266 HydrophobicContact CB-CE1 3.68Å; M257-F266 HydrophobicContact CB-CZ 3.67Å; I258-F266 HydrophobicContact CD1-CE1 4.37Å; I258-F266 HydrophobicContact CD1-CE2 4.34Å; I258-F266 HydrophobicContact CD1-CZ 3.66Å; I258-F266 HydrophobicContact CG1-CE1 3.81Å; I258-F266 HydrophobicContact CG1-CZ 3.51Å; F266-I369 HydrophobicContact CB-CG2 3.79Å; F266-I369 HydrophobicContact CD1-CG2 4Å; F266-I369 HydrophobicContact CD2-CG2 3.96Å; F266-I369 HydrophobicContact CG-CG2 3.66Å; F266-N371 HydrophobicContact CD1-CB 3.94Å; F266-N371 HydrophobicContact CE1-CB 3.97Å
267L97.3Very high93.1Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-70.6140156.7-56.6177.3000109.2V302 C304 Y311 I369 G370 I375L267-V302 HydrophobicContact CD2-CB 3.74Å; L267-V302 HydrophobicContact CD2-CG1 3.97Å; L267-V302 HydrophobicContact CD2-CG2 4.05Å; L267-C304 HydrophobicContact CD2-CB 4.19Å; L267-Y311 HydrophobicContact CD1-CE1 4.3Å; L267-I369 CarbonylContact O-C 3.48Å; L267-I369 WeakPolarHBondContact O-CA 3.42Å; L267-G370 WeakPolarHBondContact CB-O 3.41Å; L267-G370 PolarHBondContact N-O 3.25Å; L267-G370 PolarHBondContact O-N 2.75Å; L267-I375 HydrophobicContact CD2-CB 4.39Å; L267-I375 HydrophobicContact CD2-CD1 3.57Å
268T97.1Very high92.6Very high1 Ų128 Ų281%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-119.2150.7176.755.70000110.8F200 C201 M301 F368F200-T268 HydrophobicContact CB-CG2 4.16Å; F200-T268 HydrophobicContact CD1-CG2 3.87Å; C201-T268 PolarHBondContact O-OG1 2.97Å; T268-M301 WeakPolarHBondContact O-CB 3.46Å; T268-M301 PolarHBondContact O-N 3.15Å; T268-M301 WeakPolarHBondContact OG1-CB 3.47Å; T268-F368 CarbonylContact C-O 3.41Å; T268-F368 WeakPolarHBondContact CA-O 3.48Å
269G96.7Very high91.8Very high1 Ų133 Ų331%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-154156.9178.700000111.5F368G269-F368 PolarHBondContact N-O 3.2Å; G269-F368 PolarHBondContact O-N 3.05Å
270F97Very high91Very high7 Ų740.7 Ų40.73%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-137.6143178.9-176.7-99.7000110.5I231 P272 L273 M301 L362I231-F270 HydrophobicContact CB-CE2 4.49Å; I231-F270 HydrophobicContact CD1-CE1 3.72Å; I231-F270 HydrophobicContact CD1-CE2 3.75Å; I231-F270 HydrophobicContact CD1-CZ 3.24Å; I231-F270 HydrophobicContact CG1-CD2 4.22Å; I231-F270 HydrophobicContact CG1-CE1 4.35Å; I231-F270 HydrophobicContact CG1-CE2 3.59Å; I231-F270 HydrophobicContact CG1-CZ 3.67Å; I231-F270 HydrophobicContact CG2-CD1 4.14Å; I231-F270 HydrophobicContact CG2-CD2 4.02Å; I231-F270 HydrophobicContact CG2-CE1 4.3Å; I231-F270 HydrophobicContact CG2-CE2 4.19Å; I231-F270 HydrophobicContact CG2-CG 3.99Å; I231-F270 HydrophobicContact CG2-CZ 4.33Å; F270-P272 WeakPolarHBondContact CE1-O 3.36Å; F270-L273 HydrophobicContact CD1-CD2 4.08Å; F270-L273 VanDerWaalsContact O-CD1 3.29Å; F270-L273 WeakPolarHBondContact O-CD1 3.12Å; F270-L273 WeakPolarHBondContact O-CG 3.4Å; F270-M301 HydrophobicContact CB-CE 3.42Å; F270-M301 VanDerWaalsContact CB-CE 3.42Å; F270-M301 HydrophobicContact CG-CE 4.49Å; F270-L362 HydrophobicContact CE1-CD1 4.17Å; F270-L362 HydrophobicContact CZ-CD1 3.71Å
271A96.3Very high90.3Very high0 Ų048.6 Ų48.60%023%0.227CC..EExtended strand (participates in β ladder)trans-134.6144.716700000109.4L290 Q293 L294 S365 A366A271-L290 HydrophobicContact CB-CD2 3.89Å; A271-Q293 HydrophobicContact CB-CB 3.75Å; A271-L294 HydrophobicContact CB-CD2 3.6Å; A271-L294 HydrophobicContact CB-CG 4.22Å; A271-S365 CarbonylContact O-C 3.54Å; A271-S365 VanDerWaalsContact O-CA 3.23Å; A271-S365 WeakPolarHBondContact O-CA 3.38Å; A271-S365 VanDerWaalsContact O-CB 3.3Å; A271-S365 WeakPolarHBondContact O-CB 3.26Å; A271-A366 PolarHBondContact N-O 3.34Å; A271-A366 PolarHBondContact O-N 3.2Å
272P95Very high89.7Confident9 Ų945.8 Ų45.86%0.05821%0.206CC..  cis-91.4153.73.337.4-38.3000114.4F270 F274 L285 L290 Q293 L362F270-P272 WeakPolarHBondContact CE1-O 3.36Å; P272-F274 HydrophobicContact CB-CD1 3.64Å; P272-F274 HydrophobicContact CB-CE1 3.17Å; P272-F274 HydrophobicContact CB-CZ 3.8Å; P272-F274 HydrophobicContact CG-CD1 4.12Å; P272-F274 HydrophobicContact CG-CE1 3.21Å; P272-F274 HydrophobicContact CG-CE2 4.26Å; P272-F274 HydrophobicContact CG-CZ 3.28Å; P272-L285 HydrophobicContact CB-CD1 3.34Å; P272-L285 HydrophobicContact CG-CD1 4Å; P272-L290 HydrophobicContact CB-CD2 4.29Å; P272-Q293 VanDerWaalsContact CA-OE1 3.31Å; P272-L362 HydrophobicContact CG-CD2 4.38Å
273L93.2Very high88.9Confident15 Ų1545.8 Ų45.88%0.07921%0.209CC..  trans-120.899.3174.4-66.2170.2000109.3I210 L215 L228 F270 N299I210-L273 HydrophobicContact CD1-CD1 4.34Å; I210-L273 HydrophobicContact CG1-CD1 4.49Å; I210-L273 HydrophobicContact CG2-CD1 3.83Å; I210-L273 HydrophobicContact CG2-CD2 3.95Å; I210-L273 HydrophobicContact CG2-CG 4.39Å; L215-L273 HydrophobicContact CD2-CB 4.4Å; L215-L273 HydrophobicContact CD2-CD2 4.33Å; L228-L273 HydrophobicContact CD2-CD2 3.68Å; F270-L273 HydrophobicContact CD1-CD2 4.08Å; F270-L273 VanDerWaalsContact O-CD1 3.29Å; F270-L273 WeakPolarHBondContact O-CD1 3.12Å; F270-L273 WeakPolarHBondContact O-CG 3.4Å; L273-N299 HydrophobicContact CD1-CB 3.78Å
274F87.6Confident88.4Confident25 Ų2551.8 Ų51.811%0.1124%0.242CC..  trans-136150.7178.334.7-120.1000112.2L215 P272 R279 N282 L285 L362L215-F274 WeakPolarHBondContact CD2-O 3.29Å; P272-F274 HydrophobicContact CB-CD1 3.64Å; P272-F274 HydrophobicContact CB-CE1 3.17Å; P272-F274 HydrophobicContact CB-CZ 3.8Å; P272-F274 HydrophobicContact CG-CD1 4.12Å; P272-F274 HydrophobicContact CG-CE1 3.21Å; P272-F274 HydrophobicContact CG-CE2 4.26Å; P272-F274 HydrophobicContact CG-CZ 3.28Å; F274-R279 HydrophobicContact CD2-CB 4.46Å; F274-R279 HydrophobicContact CD2-CG 3.67Å; F274-R279 HydrophobicContact CE2-CB 4.31Å; F274-R279 HydrophobicContact CE2-CG 3.68Å; F274-N282 HydrophobicContact CD1-CB 3.42Å; F274-N282 VanDerWaalsContact CD1-CB 3.42Å; F274-N282 HydrophobicContact CE1-CB 3.47Å; F274-N282 VanDerWaalsContact CE1-CB 3.47Å; F274-N282 WeakPolarHBondContact CE1-O 3.35Å; F274-N282 HydrophobicContact CG-CB 4.16Å; F274-N282 HydrophobicContact CZ-CB 4.29Å; F274-L285 HydrophobicContact CD1-CD1 4.31Å; F274-L285 HydrophobicContact CE1-CD1 3.78Å; F274-L362 HydrophobicContact CE2-CD2 4.48Å; F274-L362 HydrophobicContact CZ-CD2 4.28Å
275A86.4Confident88Confident4 Ų452.5 Ų52.53%0.03325%0.245CC..  trans-55.3142.4174.100000111.4S214 L215 R216 E277 S278 R279S214-A275 PolarHBondContact O-N 3Å; L215-A275 WeakPolarHBondContact O-CA 3.45Å; R216-A275 HydrophobicContact CB-CB 4.05Å; R216-A275 HydrophobicContact CG-CB 3.98Å; A275-E277 PolarHBondContact O-N 3.1Å; A275-E277 VanDerWaalsContact O-N 3.11Å; A275-S278 PolarHBondContact O-N 2.89Å; A275-R279 PolarHBondContact O-N 3.47Å
276P80.7Confident87.8Confident57 Ų5755.3 Ų55.337%0.3726%0.263SS..G310 helixtrans-49.5-38.3-179.5-29.335.9000114.4L215 L217 S278 R279L215-P276 VanDerWaalsContact O-CD 3.29Å; L215-P276 WeakPolarHBondContact O-CD 3.48Å; L217-P276 HydrophobicContact CD2-CG 4.44Å; P276-S278 VanDerWaalsContact C-N 3.27Å; P276-S278 PolarHBondContact O-N 3.22Å; P276-R279 WeakPolarHBondContact O-CB 3.32Å; P276-R279 VanDerWaalsContact O-CG 3.3Å; P276-R279 WeakPolarHBondContact O-CG 3.17Å; P276-R279 PolarHBondContact O-N 2.92Å
277E79.8Confident87.7Confident139 Ų13955.5 Ų55.565%0.6526%0.264SS*.G310 helixtrans-69.7-26.5-179.1-54.576.8-165.700112.5A275A275-E277 PolarHBondContact O-N 3.1Å; A275-E277 VanDerWaalsContact O-N 3.11Å
278S82.7Confident87.6Confident37 Ų3757.8 Ų57.826%0.25928%0.278SS..G310 helixtrans-90.2-4.5-178.3-56.90000113A275 P276 R280 F281 N282A275-S278 PolarHBondContact O-N 2.89Å; P276-S278 VanDerWaalsContact C-N 3.27Å; P276-S278 PolarHBondContact O-N 3.22Å; S278-R280 VanDerWaalsContact C-N 3.32Å; S278-R280 PolarHBondContact O-N 3.32Å; S278-F281 PolarHBondContact O-N 2.86Å; S278-F281 VanDerWaalsContact O-N 3.12Å; S278-N282 PolarHBondContact O-N 3.25Å; S278-N282 PolarHBondContact O-ND2 3.38Å
279R78.1Confident87.5Confident129 Ų12961.3 Ų61.349%0.48730%0.295SS..G310 helixtrans-54.7-45.9-176.5-72.4-175.3176.9-168.61.6112.6F274 A275 P276 F281 N282 E283F274-R279 HydrophobicContact CD2-CB 4.46Å; F274-R279 HydrophobicContact CD2-CG 3.67Å; F274-R279 HydrophobicContact CE2-CB 4.31Å; F274-R279 HydrophobicContact CE2-CG 3.68Å; A275-R279 PolarHBondContact O-N 3.47Å; P276-R279 WeakPolarHBondContact O-CB 3.32Å; P276-R279 VanDerWaalsContact O-CG 3.3Å; P276-R279 WeakPolarHBondContact O-CG 3.17Å; P276-R279 PolarHBondContact O-N 2.92Å; R279-F281 PolarHBondContact O-N 3.31Å; R279-N282 CarbonylContact O-C 3.51Å; R279-N282 PolarHBondContact O-N 2.93Å; R279-N282 VanDerWaalsContact O-N 3.08Å; R279-E283 VanDerWaalsContact O-CG 3.24Å; R279-E283 WeakPolarHBondContact O-CG 3.35Å; R279-E283 PolarHBondContact O-N 3.29Å
280R75.8Confident87.5Confident212 Ų21261.3 Ų61.380%0.829%0.294SS*.G310 helixtrans-60.3-29.3-178.7-69.4-174.6176.6-177.6-0.4113.6S278S278-R280 VanDerWaalsContact C-N 3.32Å; S278-R280 PolarHBondContact O-N 3.32Å
281F78.1Confident87.4Confident179 Ų17961.1 Ų61.179%0.78529%0.293SS*.G310 helixtrans-87.2-19.1-179.5-59.5-77000112.6S278 R279S278-F281 PolarHBondContact O-N 2.86Å; S278-F281 VanDerWaalsContact O-N 3.12Å; R279-F281 PolarHBondContact O-N 3.31Å
282N79.1Confident87.4Confident54 Ų5467.3 Ų67.329%0.28932%0.322SS..SBendtrans-113.724-175.6-62.9-58.3000112.5F274 S278 R279 N284 L285F274-N282 HydrophobicContact CD1-CB 3.42Å; F274-N282 VanDerWaalsContact CD1-CB 3.42Å; F274-N282 HydrophobicContact CE1-CB 3.47Å; F274-N282 VanDerWaalsContact CE1-CB 3.47Å; F274-N282 WeakPolarHBondContact CE1-O 3.35Å; F274-N282 HydrophobicContact CG-CB 4.16Å; F274-N282 HydrophobicContact CZ-CB 4.29Å; S278-N282 PolarHBondContact O-N 3.25Å; S278-N282 PolarHBondContact O-ND2 3.38Å; R279-N282 CarbonylContact O-C 3.51Å; R279-N282 PolarHBondContact O-N 2.93Å; R279-N282 VanDerWaalsContact O-N 3.08Å; N282-N284 VanDerWaalsContact C-N 3.31Å; N282-N284 PolarHBondContact O-N 3.43Å; N282-L285 HydrophobicContact CB-CD2 4.34Å; N282-L285 HydrophobicContact CB-CG 4.46Å; N282-L285 WeakPolarHBondContact O-CG 3.07Å
283E76.4Confident87.4Confident86 Ų8668.6 Ų68.640%0.40233%0.327SS..THydrogen-bonded Turntrans-72-24.9-178.4-64.4-173.7178.600113.3R279 K363R279-E283 VanDerWaalsContact O-CG 3.24Å; R279-E283 WeakPolarHBondContact O-CG 3.35Å; R279-E283 PolarHBondContact O-N 3.29Å; E283-K363 HydrophobicContact CB-CD 4.23Å; E283-K363 VanDerWaalsContact OE2-CE 3.3Å; E283-K363 WeakPolarHBondContact OE2-CE 3.19Å; E283-K363 IonicContact OE2-NZ 2.75Å; E283-K363 PolarHBondContact OE2-NZ 2.69Å
284N85.2Confident87.5Confident126 Ų12667.9 Ų67.967%0.67432%0.324SS*.THydrogen-bonded Turntrans-118.457.2-173.1-61.3-18.8000110.5N282 K363N282-N284 VanDerWaalsContact C-N 3.31Å; N282-N284 PolarHBondContact O-N 3.43Å; N284-K363 WeakPolarHBondContact OD1-CD 3.37Å; N284-K363 PolarHBondContact OD1-NZ 3.03Å
285L90.4Very high87.8Confident19 Ų1967 Ų6710%0.09932%0.32CS..  trans-70.9138.5177-68.3171.4000111.3P272 F274 N282 E289 L290P272-L285 HydrophobicContact CB-CD1 3.34Å; P272-L285 HydrophobicContact CG-CD1 4Å; F274-L285 HydrophobicContact CD1-CD1 4.31Å; F274-L285 HydrophobicContact CE1-CD1 3.78Å; N282-L285 HydrophobicContact CB-CD2 4.34Å; N282-L285 HydrophobicContact CB-CG 4.46Å; N282-L285 WeakPolarHBondContact O-CG 3.07Å; L285-E289 WeakPolarHBondContact CA-OE2 3.16Å; L285-E289 HydrophobicContact CB-CB 4.43Å; L285-E289 HydrophobicContact CD2-CB 4.05Å; L285-E289 HydrophobicContact CD2-CG 4.47Å; L285-L290 HydrophobicContact CB-CD2 4.32Å; L285-L290 HydrophobicContact CB-CG 4.31Å; L285-L290 HydrophobicContact CD1-CD2 4.14Å
286T93.4Very high88.2Confident62 Ų6270 Ų7038%0.3834%0.335SS..  trans-72.8161.1172.161.10000111.3T288 E289 L290T286-T288 PolarHBondContact O-N 3.41Å; T286-E289 PolarHBondContact N-OE2 3.46Å; T286-E289 PolarHBondContact O-N 2.88Å; T286-E289 VanDerWaalsContact OG1-CD 3.32Å; T286-E289 VanDerWaalsContact OG1-CG 3.23Å; T286-E289 WeakPolarHBondContact OG1-CG 3.21Å; T286-E289 PolarHBondContact OG1-N 3.46Å; T286-E289 PolarHBondContact OG1-OE2 2.84Å; T286-L290 WeakPolarHBondContact O-CG 3.3Å; T286-L290 PolarHBondContact O-N 2.85Å
287V95.5Very high88.7Confident3 Ų368.6 Ų68.62%0.01833%0.326CS..Hα-helixtrans-59.2-39.3174.6176.30000111.3L290 Y291 F318 I322 E326 V327 E330V287-L290 PolarHBondContact O-N 3.16Å; V287-Y291 HydrophobicContact CG1-CD2 3.83Å; V287-Y291 HydrophobicContact CG1-CE2 3.94Å; V287-Y291 PolarHBondContact O-N 3.41Å; V287-F318 HydrophobicContact CG1-CE1 4.03Å; V287-F318 HydrophobicContact CG1-CZ 4.21Å; V287-I322 HydrophobicContact CG2-CG2 3.47Å; V287-I322 VanDerWaalsContact CG2-CG2 3.47Å; V287-E326 HydrophobicContact CB-CG 4.13Å; V287-E326 HydrophobicContact CG2-CB 4.4Å; V287-E326 HydrophobicContact CG2-CG 3.83Å; V287-E326 WeakPolarHBondContact CG2-OE1 3.39Å; V287-V327 HydrophobicContact CG1-CB 4.49Å; V287-V327 HydrophobicContact CG1-CG2 3.95Å; V287-V327 HydrophobicContact CG2-CG2 4.02Å; V287-E330 HydrophobicContact CG1-CB 3.82Å; V287-E330 HydrophobicContact CG1-CG 4.06Å
288T95.7Very high89.3Confident49 Ų4965 Ų6530%0.30132%0.316SS..Hα-helixtrans-59.7-47175.6-49.70000111.8T286 L290 Y291 Q292 E330T286-T288 PolarHBondContact O-N 3.41Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 3.1Å; T288-Y291 PolarHBondContact O-N 2.71Å; T288-Q292 VanDerWaalsContact O-CG 3.3Å; T288-Q292 WeakPolarHBondContact O-CG 3.27Å; T288-Q292 PolarHBondContact O-N 3.18Å; T288-E330 VanDerWaalsContact OG1-CD 3.31Å; T288-E330 PolarHBondContact OG1-OE2 3.41Å
289E94.7Very high89.9Confident75 Ų7563.6 Ų63.635%0.3531%0.306SS..Hα-helixtrans-65.6-36.5178.5-72.4164.7138.100112.4L285 T286 Q293L285-E289 WeakPolarHBondContact CA-OE2 3.16Å; L285-E289 HydrophobicContact CB-CB 4.43Å; L285-E289 HydrophobicContact CD2-CB 4.05Å; L285-E289 HydrophobicContact CD2-CG 4.47Å; T286-E289 PolarHBondContact N-OE2 3.46Å; T286-E289 PolarHBondContact O-N 2.88Å; T286-E289 VanDerWaalsContact OG1-CD 3.32Å; T286-E289 VanDerWaalsContact OG1-CG 3.23Å; T286-E289 WeakPolarHBondContact OG1-CG 3.21Å; T286-E289 PolarHBondContact OG1-N 3.46Å; T286-E289 PolarHBondContact OG1-OE2 2.84Å; E289-Q293 PolarHBondContact O-N 3.16Å
290L96.3Very high90.7Very high1 Ų157.6 Ų57.61%0.00528%0.284CS..Hα-helixtrans-62.9-49172.9-70173.7000110.6A271 P272 L285 T286 V287 T288 Q292 Q293 L294 F318 I322 A366A271-L290 HydrophobicContact CB-CD2 3.89Å; P272-L290 HydrophobicContact CB-CD2 4.29Å; L285-L290 HydrophobicContact CB-CD2 4.32Å; L285-L290 HydrophobicContact CB-CG 4.31Å; L285-L290 HydrophobicContact CD1-CD2 4.14Å; T286-L290 WeakPolarHBondContact O-CG 3.3Å; T286-L290 PolarHBondContact O-N 2.85Å; V287-L290 PolarHBondContact O-N 3.16Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 3.1Å; L290-Q292 VanDerWaalsContact C-N 3.34Å; L290-Q292 PolarHBondContact O-N 2.95Å; L290-Q293 WeakPolarHBondContact O-CB 3.21Å; L290-Q293 PolarHBondContact O-N 3.1Å; L290-L294 WeakPolarHBondContact O-CG 3.41Å; L290-L294 PolarHBondContact O-N 2.97Å; L290-F318 HydrophobicContact CB-CE1 3.91Å; L290-F318 HydrophobicContact CD1-CD1 3.95Å; L290-F318 HydrophobicContact CD1-CE1 4.01Å; L290-I322 HydrophobicContact CD1-CD1 4.24Å; L290-A366 HydrophobicContact CB-CB 4.3Å; L290-A366 HydrophobicContact CD1-CB 4.43Å
291Y96.3Very high91.7Very high3 Ų347.5 Ų47.51%0.01225%0.246CC..Hα-helixtrans-59.5-41.9177.5-96.4-63.3000113.4V287 T288 Q293 L294 F295 A316 F318 E330 T331 V334 M350 V352V287-Y291 HydrophobicContact CG1-CD2 3.83Å; V287-Y291 HydrophobicContact CG1-CE2 3.94Å; V287-Y291 PolarHBondContact O-N 3.41Å; T288-Y291 PolarHBondContact O-N 2.71Å; Y291-Q293 PolarHBondContact O-N 3.46Å; Y291-L294 HydrophobicContact CD1-CD1 4.36Å; Y291-L294 PolarHBondContact O-N 3.36Å; Y291-L294 VanDerWaalsContact O-N 3.13Å; Y291-F295 HydrophobicContact CD1-CD2 4.11Å; Y291-F295 AromaticContact CD1-CE2 3.93Å; Y291-F295 HydrophobicContact CD1-CE2 3.93Å; Y291-F295 HydrophobicContact CE1-CE2 4.18Å; Y291-F295 PolarHBondContact O-N 3.08Å; Y291-A316 HydrophobicContact CE1-CB 3.88Å; Y291-F318 HydrophobicContact CD1-CZ 4.36Å; Y291-F318 HydrophobicContact CD2-CE1 4.38Å; Y291-F318 HydrophobicContact CD2-CE2 4.43Å; Y291-F318 AromaticContact CD2-CZ 3.6Å; Y291-F318 HydrophobicContact CD2-CZ 3.6Å; Y291-F318 HydrophobicContact CE1-CE2 4.29Å; Y291-F318 HydrophobicContact CE1-CZ 4.07Å; Y291-F318 HydrophobicContact CE2-CE1 4.33Å; Y291-F318 AromaticContact CE2-CE2 3.67Å; Y291-F318 HydrophobicContact CE2-CE2 3.67Å; Y291-F318 AromaticContact CE2-CZ 3.28Å; Y291-F318 HydrophobicContact CE2-CZ 3.28Å; Y291-F318 HydrophobicContact CG-CZ 4.15Å; Y291-F318 AromaticContact CZ-CE2 3.57Å; Y291-F318 AromaticContact CZ-CZ 3.52Å; Y291-F318 WeakPolarHBondContact OH-CE2 3.18Å; Y291-E330 HydrophobicContact CD2-CB 4.05Å; Y291-E330 HydrophobicContact CD2-CG 3.4Å; Y291-E330 HydrophobicContact CE2-CB 4.12Å; Y291-E330 HydrophobicContact CE2-CG 3.96Å; Y291-E330 HydrophobicContact CG-CG 4.24Å; Y291-T331 PolarHBondContact OH-OG1 3.06Å; Y291-V334 HydrophobicContact CD1-CG1 4.32Å; Y291-V334 HydrophobicContact CD1-CG2 3.91Å; Y291-V334 HydrophobicContact CD2-CG2 4.28Å; Y291-V334 HydrophobicContact CE1-CG2 4.49Å; Y291-V334 HydrophobicContact CG-CG2 3.8Å; Y291-M350 HydrophobicContact CE1-CE 3.96Å; Y291-V352 WeakPolarHBondContact OH-CG1 3.42Å
292Q94.9Very high92.5Very high129 Ų12939.1 Ų39.160%0.60321%0.209SC*.Hα-helixtrans-56.8-38.3175-74.5173.71.700111.6T288 L290 N296T288-Q292 VanDerWaalsContact O-CG 3.3Å; T288-Q292 WeakPolarHBondContact O-CG 3.27Å; T288-Q292 PolarHBondContact O-N 3.18Å; L290-Q292 VanDerWaalsContact C-N 3.34Å; L290-Q292 PolarHBondContact O-N 2.95Å; Q292-N296 WeakPolarHBondContact O-CB 3.37Å; Q292-N296 PolarHBondContact O-N 3.2Å
293Q95.4Very high93.2Very high36 Ų3638.2 Ų38.217%0.16821%0.209CC..Hα-helixtrans-73.3-39.5174.7-72.2-173.143.500112.9A271 P272 E289 L290 Y291 F295 N296 N299A271-Q293 HydrophobicContact CB-CB 3.75Å; P272-Q293 VanDerWaalsContact CA-OE1 3.31Å; E289-Q293 PolarHBondContact O-N 3.16Å; L290-Q293 WeakPolarHBondContact O-CB 3.21Å; L290-Q293 PolarHBondContact O-N 3.1Å; Y291-Q293 PolarHBondContact O-N 3.46Å; Q293-F295 VanDerWaalsContact C-N 3.3Å; Q293-F295 PolarHBondContact O-N 3.23Å; Q293-N296 PolarHBondContact O-N 3.39Å; Q293-N299 WeakPolarHBondContact CB-ND2 3.46Å; Q293-N299 WeakPolarHBondContact O-CB 3.31Å; Q293-N299 PolarHBondContact O-ND2 2.83Å; Q293-N299 VanDerWaalsContact O-ND2 3.09Å
294L95.9Very high94Very high1 Ų134.5 Ų34.51%0.00519%0.192CC..Hα-helixtrans-63.1-35.9179.9-65.6-174.8000112.7A271 L290 Y291 M300 A316 F318 A366 F368A271-L294 HydrophobicContact CB-CD2 3.6Å; A271-L294 HydrophobicContact CB-CG 4.22Å; L290-L294 WeakPolarHBondContact O-CG 3.41Å; L290-L294 PolarHBondContact O-N 2.97Å; Y291-L294 HydrophobicContact CD1-CD1 4.36Å; Y291-L294 PolarHBondContact O-N 3.36Å; Y291-L294 VanDerWaalsContact O-N 3.13Å; L294-M300 WeakPolarHBondContact O-CE 3.27Å; L294-A316 HydrophobicContact CD1-CB 3.98Å; L294-F318 HydrophobicContact CD1-CZ 4.38Å; L294-A366 HydrophobicContact CD1-CB 3.72Å; L294-A366 HydrophobicContact CD2-CB 4.03Å; L294-A366 HydrophobicContact CG-CB 4.18Å; L294-F368 HydrophobicContact CB-CB 4.12Å; L294-F368 HydrophobicContact CB-CD2 4.33Å; L294-F368 HydrophobicContact CB-CG 4.46Å; L294-F368 HydrophobicContact CD1-CB 4.3Å; L294-F368 HydrophobicContact CD2-CB 3.9Å; L294-F368 HydrophobicContact CG-CB 4.31Å
295F93.2Very high94.3Very high6 Ų630 Ų303%0.02617%0.168CC..THydrogen-bonded Turntrans-93.52.8179.4-81.5-93.2000113.6Y291 Q293 P297 Y311 V334 W338 F342 M350 F368Y291-F295 HydrophobicContact CD1-CD2 4.11Å; Y291-F295 AromaticContact CD1-CE2 3.93Å; Y291-F295 HydrophobicContact CD1-CE2 3.93Å; Y291-F295 HydrophobicContact CE1-CE2 4.18Å; Y291-F295 PolarHBondContact O-N 3.08Å; Q293-F295 VanDerWaalsContact C-N 3.3Å; Q293-F295 PolarHBondContact O-N 3.23Å; F295-P297 WeakPolarHBondContact O-CD 3.35Å; F295-Y311 HydrophobicContact CD1-CE2 4.3Å; F295-Y311 HydrophobicContact CE1-CE2 4Å; F295-V334 HydrophobicContact CD2-CG1 3.95Å; F295-V334 HydrophobicContact CE1-CG1 4.45Å; F295-V334 HydrophobicContact CE2-CG1 3.59Å; F295-V334 HydrophobicContact CZ-CG1 3.86Å; F295-W338 HydrophobicContact CB-CH2 4.41Å; F295-W338 HydrophobicContact CB-CZ2 3.68Å; F295-W338 AromaticContact CD1-CD2 3.7Å; F295-W338 HydrophobicContact CD1-CD2 3.7Å; F295-W338 AromaticContact CD1-CE2 3.71Å; F295-W338 HydrophobicContact CD1-CE3 4.09Å; F295-W338 HydrophobicContact CD1-CG 4.04Å; F295-W338 HydrophobicContact CD1-CH2 4.46Å; F295-W338 HydrophobicContact CD1-CZ2 4.13Å; F295-W338 HydrophobicContact CD1-CZ3 4.44Å; F295-W338 AromaticContact CD1-NE1 3.98Å; F295-W338 HydrophobicContact CE1-CD2 4.29Å; F295-W338 HydrophobicContact CE1-CG 4.29Å; F295-W338 HydrophobicContact CG-CD2 4.46Å; F295-W338 HydrophobicContact CG-CZ2 4.33Å; F295-W338 WeakPolarHBondContact O-CZ2 3.46Å; F295-F342 HydrophobicContact CE1-CE2 4.47Å; F295-F342 HydrophobicContact CE1-CZ 4.35Å; F295-F342 HydrophobicContact CZ-CZ 4.45Å; F295-M350 HydrophobicContact CE2-CE 3.66Å; F295-M350 HydrophobicContact CZ-CE 3.47Å; F295-M350 VanDerWaalsContact CZ-CE 3.47Å; F295-M350 HydrophobicContact CZ-SD 4.17Å; F295-F368 HydrophobicContact CE1-CE2 4.16Å; F295-F368 HydrophobicContact CE1-CZ 4.41Å; F295-F368 HydrophobicContact CE2-CD2 4.36Å; F295-F368 AromaticContact CE2-CE2 3.9Å; F295-F368 HydrophobicContact CE2-CE2 3.9Å; F295-F368 AromaticContact CZ-CE2 3.7Å; F295-F368 HydrophobicContact CZ-CE2 3.7Å; F295-F368 HydrophobicContact CZ-CZ 4.38Å
296N93.8Very high94.4Very high66 Ų6629 Ų2935%0.35316%0.163SC..  trans-77.2119.7174.3-174.1-19.5000109.6Q292 Q293 S298 N299Q292-N296 WeakPolarHBondContact O-CB 3.37Å; Q292-N296 PolarHBondContact O-N 3.2Å; Q293-N296 PolarHBondContact O-N 3.39Å; N296-S298 PolarHBondContact O-N 3.27Å; N296-S298 WeakPolarHBondContact OD1-CB 3.47Å; N296-S298 PolarHBondContact OD1-N 2.94Å; N296-S298 PolarHBondContact OD1-OG 2.96Å; N296-N299 HydrophobicContact CB-CB 4.36Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3.46Å
297P93Very high94.3Very high29 Ų2932.6 Ų32.619%0.18817%0.17CC..G310 helixtrans-54-30.6177.6-27.736.1000114F295 N299 M300 D305 P306 R307F295-P297 WeakPolarHBondContact O-CD 3.35Å; P297-N299 PolarHBondContact O-N 2.82Å; P297-M300 PolarHBondContact O-N 3.42Å; P297-D305 WeakPolarHBondContact CG-OD1 3.32Å; P297-P306 HydrophobicContact CG-CG 4.21Å; P297-R307 HydrophobicContact CG-CG 4.42Å
298S92.5Very high94.1Very high62 Ų6236.8 Ų36.843%0.43419%0.192SC..G310 helixtrans-71.3-10.9179.1-56.30000113.9I210 N296I210-S298 WeakPolarHBondContact CG1-O 3.32Å; N296-S298 PolarHBondContact O-N 3.27Å; N296-S298 WeakPolarHBondContact OD1-CB 3.47Å; N296-S298 PolarHBondContact OD1-N 2.94Å; N296-S298 PolarHBondContact OD1-OG 2.96Å
299N94.1Very high94Very high9 Ų934.7 Ų34.75%0.04818%0.18CC..G310 helixtrans-108.5-1.4179.9-70.5-6000112.7S214 L273 Q293 N296 P297S214-N299 PolarHBondContact OG-OD1 3.32Å; L273-N299 HydrophobicContact CD1-CB 3.78Å; Q293-N299 WeakPolarHBondContact CB-ND2 3.46Å; Q293-N299 WeakPolarHBondContact O-CB 3.31Å; Q293-N299 PolarHBondContact O-ND2 2.83Å; Q293-N299 VanDerWaalsContact O-ND2 3.09Å; N296-N299 HydrophobicContact CB-CB 4.36Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3.46Å; P297-N299 PolarHBondContact O-N 2.82Å
300M95.4Very high94Very high3 Ų335.5 Ų35.52%0.01518%0.18CC..BIsolated β-bridgetrans-68.6137172.1-66.1-63.7169.800109.1A206 L294 P297 V302 P306 Y311 F368A206-M300 WeakPolarHBondContact CB-O 2.92Å; L294-M300 WeakPolarHBondContact O-CE 3.27Å; P297-M300 PolarHBondContact O-N 3.42Å; M300-V302 PolarHBondContact O-N 3.49Å; M300-P306 HydrophobicContact CE-CG 4.2Å; M300-Y311 WeakPolarHBondContact CE-OH 3.23Å; M300-F368 HydrophobicContact CE-CD1 3.95Å; M300-F368 HydrophobicContact CE-CE1 3.69Å; M300-F368 HydrophobicContact CE-CZ 4.31Å; M300-F368 HydrophobicContact SD-CD1 3.94Å; M300-F368 HydrophobicContact SD-CE1 3.98Å
301M96.6Very high93.9Very high0 Ų035.5 Ų35.50%018%0.18CC..SBendtrans-85.712.6177.8-62.2-173174.600112.7D203 L207 I210 L228 V232 T268 F270D203-M301 PolarHBondContact N-O 2.9Å; L207-M301 HydrophobicContact CD2-CB 3.91Å; L207-M301 HydrophobicContact CD2-CG 3.78Å; L207-M301 HydrophobicContact CD2-SD 3.96Å; I210-M301 HydrophobicContact CD1-CG 4.08Å; L228-M301 HydrophobicContact CB-CE 4.01Å; L228-M301 HydrophobicContact CD2-CE 4.36Å; L228-M301 WeakPolarHBondContact O-CE 3.4Å; V232-M301 HydrophobicContact CB-CE 4.03Å; V232-M301 HydrophobicContact CB-SD 3.67Å; V232-M301 HydrophobicContact CG1-SD 3.61Å; V232-M301 HydrophobicContact CG2-CE 4.42Å; V232-M301 HydrophobicContact CG2-SD 3.96Å; T268-M301 WeakPolarHBondContact O-CB 3.46Å; T268-M301 PolarHBondContact O-N 3.15Å; T268-M301 WeakPolarHBondContact OG1-CB 3.47Å; F270-M301 HydrophobicContact CB-CE 3.42Å; F270-M301 VanDerWaalsContact CB-CE 3.42Å; F270-M301 HydrophobicContact CG-CE 4.49Å
302V95.7Very high93.8Very high2 Ų235.3 Ų35.31%0.01218%0.179CC..SBendtrans-128.3135172.6-172.10000107.6C201 D203 L267 M300 C304 I375 L378C201-V302 HydrophobicContact CB-CG1 4.48Å; C201-V302 HydrophobicContact CB-CG2 3.76Å; C201-V302 WeakPolarHBondContact O-CG2 3.31Å; D203-V302 HydrophobicContact CB-CG1 4.4Å; L267-V302 HydrophobicContact CD2-CB 3.74Å; L267-V302 HydrophobicContact CD2-CG1 3.97Å; L267-V302 HydrophobicContact CD2-CG2 4.05Å; M300-V302 PolarHBondContact O-N 3.49Å; V302-C304 PolarHBondContact O-N 3.13Å; V302-I375 HydrophobicContact CG1-CD1 3.87Å; V302-L378 HydrophobicContact CG1-CB 4.36Å; V302-L378 HydrophobicContact CG1-CD2 3.93Å
303A93Very high93.8Very high35 Ų3529.6 Ų29.629%0.28915%0.153SC..SBendtrans-77.763.1-177.600000111.4D203 E205 A206D203-A303 WeakPolarHBondContact OD2-CB 3.21Å; D203-A303 PolarHBondContact OD2-N 3.28Å; E205-A303 HydrophobicContact CB-CB 4.25Å; E205-A303 HydrophobicContact CG-CB 4.26Å; A206-A303 HydrophobicContact CB-CB 4.25Å
304C92.2Very high93.8Very high8 Ų827.9 Ų27.95%0.05415%0.145CC..  trans-129.4142.4174-58.50000109.1L267 V302 P306 S374 E377L267-C304 HydrophobicContact CD2-CB 4.19Å; V302-C304 PolarHBondContact O-N 3.13Å; C304-P306 WeakPolarHBondContact O-CD 3.33Å; C304-S374 WeakPolarHBondContact CB-O 3.5Å; C304-S374 PolarHBondContact SG-O 3.36Å; C304-S374 VanDerWaalsContact SG-O 3.34Å; C304-E377 VanDerWaalsContact CA-OE2 3.28Å; C304-E377 WeakPolarHBondContact CA-OE2 3.24Å; C304-E377 HydrophobicContact CB-CB 4.33Å
305D92.9Very high93.8Very high31 Ų3127.9 Ų27.917%0.16615%0.145CC..  trans-91109.9169.2-167.4-21.9000110.1P297 R307 N308 S374 E377P297-D305 WeakPolarHBondContact CG-OD1 3.32Å; D305-R307 PolarHBondContact O-N 3.29Å; D305-R307 VanDerWaalsContact OD1-CB 3.23Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.32Å; D305-R307 WeakPolarHBondContact OD1-CG 3.49Å; D305-R307 IonicContact OD1-CZ 2.75Å; D305-R307 PolarHBondContact OD1-N 3.37Å; D305-R307 IonicContact OD1-NE 3.99Å; D305-R307 PolarHBondContact OD1-NE 2.91Å; D305-R307 IonicContact OD1-NH2 3.75Å; D305-R307 IonicContact OD2-CZ 3.77Å; D305-R307 VanDerWaalsContact OD2-CZ 3.25Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 3.31Å; D305-R307 VanDerWaalsContact OD2-NE 3.09Å; D305-R307 IonicContact OD2-NH2 2.7Å; D305-R307 PolarHBondContact OD2-NH2 3.02Å; D305-N308 HydrophobicContact CB-CB 4.5Å; D305-N308 WeakPolarHBondContact O-CB 3.28Å; D305-N308 PolarHBondContact O-N 3.49Å; D305-S374 WeakPolarHBondContact O-CB 3.47Å; D305-E377 PolarHBondContact N-OE2 3.44Å
306P91.3Very high93.9Very high0 Ų027.6 Ų27.60%014%0.144CC..G310 helixtrans-60.9-19-18026-36000113.6P297 M300 C304 N308 G309 Y311P297-P306 HydrophobicContact CG-CG 4.21Å; M300-P306 HydrophobicContact CE-CG 4.2Å; C304-P306 WeakPolarHBondContact O-CD 3.33Å; P306-N308 VanDerWaalsContact C-N 3.26Å; P306-N308 PolarHBondContact O-N 3.4Å; P306-G309 CarbonylContact O-C 3.46Å; P306-G309 PolarHBondContact O-N 2.76Å; P306-Y311 HydrophobicContact CB-CE1 4.26Å; P306-Y311 HydrophobicContact CB-CE2 3.85Å; P306-Y311 VanDerWaalsContact CB-CZ 3.46Å; P306-Y311 WeakPolarHBondContact CB-OH 3.34Å; P306-Y311 WeakPolarHBondContact CG-OH 3.38Å
307R91.4Very high93.9Very high137 Ų13724.6 Ų24.652%0.51713%0.128SC..G310 helixtrans-71.3-22.4175.9-57.8172.9-65.7-1770.6112.8P297 D305 G309 W338P297-R307 HydrophobicContact CG-CG 4.42Å; D305-R307 PolarHBondContact O-N 3.29Å; D305-R307 VanDerWaalsContact OD1-CB 3.23Å; D305-R307 WeakPolarHBondContact OD1-CB 3.49Å; D305-R307 VanDerWaalsContact OD1-CG 3.32Å; D305-R307 WeakPolarHBondContact OD1-CG 3.49Å; D305-R307 IonicContact OD1-CZ 2.75Å; D305-R307 PolarHBondContact OD1-N 3.37Å; D305-R307 IonicContact OD1-NE 3.99Å; D305-R307 PolarHBondContact OD1-NE 2.91Å; D305-R307 IonicContact OD1-NH2 3.75Å; D305-R307 IonicContact OD2-CZ 3.77Å; D305-R307 VanDerWaalsContact OD2-CZ 3.25Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 3.31Å; D305-R307 VanDerWaalsContact OD2-NE 3.09Å; D305-R307 IonicContact OD2-NH2 2.7Å; D305-R307 PolarHBondContact OD2-NH2 3.02Å; R307-G309 PolarHBondContact O-N 3.45Å; R307-W338 HydrophobicContact CG-CH2 4.06Å; R307-W338 HydrophobicContact CG-CZ3 4.03Å
308N92.8Very high94Very high90 Ų9023.2 Ų23.248%0.48112%0.119SC..G310 helixtrans-83.3-0.4175.7-65.7-17.2000112.7D305 P306 E377 Q427D305-N308 HydrophobicContact CB-CB 4.5Å; D305-N308 WeakPolarHBondContact O-CB 3.28Å; D305-N308 PolarHBondContact O-N 3.49Å; P306-N308 VanDerWaalsContact C-N 3.26Å; P306-N308 PolarHBondContact O-N 3.4Å; N308-E377 WeakPolarHBondContact CB-OE1 3.34Å; N308-E377 PolarHBondContact ND2-OE1 3.12Å; N308-Q427 PolarHBondContact O-NE2 2.64Å; N308-Q427 PolarHBondContact O-OE1 2.88Å
309G93.2Very high94.1Very high6 Ų620.3 Ų20.36%0.06210%0.098CC..SBendtrans-135.7-161.7176.100000112.7P306 R307 T373 Q427P306-G309 CarbonylContact O-C 3.46Å; P306-G309 PolarHBondContact O-N 2.76Å; R307-G309 PolarHBondContact O-N 3.45Å; G309-T373 WeakPolarHBondContact CA-OG1 3.43Å; G309-Q427 VanDerWaalsContact CA-OE1 3.28Å
310R94.1Very high94Very high92 Ų9220.1 Ų20.135%0.34710%0.099SC..  trans-130.9137.3175.9-67.8-176178.8-178.93.2110.3H341 F343 S372 T373R310-H341 CarbonylContact C-O 3.45Å; R310-H341 WeakPolarHBondContact CA-O 3.45Å; R310-F343 HydrophobicContact CB-CD2 3.93Å; R310-F343 HydrophobicContact CB-CE1 4.34Å; R310-F343 HydrophobicContact CB-CE2 3.4Å; R310-F343 HydrophobicContact CB-CZ 3.64Å; R310-F343 HydrophobicContact CG-CE2 4.49Å; R310-F343 HydrophobicContact CG-CZ 4.34Å; R310-S372 WeakPolarHBondContact O-CA 3.49Å; R310-S372 PolarHBondContact O-OG 3.21Å; R310-T373 PolarHBondContact N-OG1 3.3Å; R310-T373 PolarHBondContact O-N 3.45Å
311Y94.8Very high93.7Very high0 Ų029.6 Ų29.60%014%0.14CC..EExtended strand (participates in β ladder)trans-74.1124.2170.5-71.6-69.9000110.3L267 F295 M300 P306 T314 H341 F342 F343 F368 N371L267-Y311 HydrophobicContact CD1-CE1 4.3Å; F295-Y311 HydrophobicContact CD1-CE2 4.3Å; F295-Y311 HydrophobicContact CE1-CE2 4Å; M300-Y311 WeakPolarHBondContact CE-OH 3.23Å; P306-Y311 HydrophobicContact CB-CE1 4.26Å; P306-Y311 HydrophobicContact CB-CE2 3.85Å; P306-Y311 VanDerWaalsContact CB-CZ 3.46Å; P306-Y311 WeakPolarHBondContact CB-OH 3.34Å; P306-Y311 WeakPolarHBondContact CG-OH 3.38Å; Y311-T314 HydrophobicContact CD1-CG2 3.43Å; Y311-T314 VanDerWaalsContact CD1-CG2 3.43Å; Y311-T314 HydrophobicContact CD2-CG2 4.36Å; Y311-T314 HydrophobicContact CE1-CG2 3.87Å; Y311-T314 HydrophobicContact CG-CG2 3.71Å; Y311-H341 PolarHBondContact N-O 3.17Å; Y311-F342 VanDerWaalsContact CB-CD1 3.42Å; Y311-F342 VanDerWaalsContact CB-CE1 3.43Å; Y311-F342 HydrophobicContact CD2-CE1 4.42Å; Y311-F342 HydrophobicContact CD2-CE2 4.26Å; Y311-F342 HydrophobicContact CD2-CZ 4.13Å; Y311-F342 HydrophobicContact CG-CD1 4.46Å; Y311-F342 HydrophobicContact CG-CE1 4.11Å; Y311-F342 HydrophobicContact CG-CZ 4.24Å; Y311-F342 WeakPolarHBondContact O-CA 3.19Å; Y311-F343 WeakPolarHBondContact O-CD2 3.42Å; Y311-F343 PolarHBondContact O-N 3.38Å; Y311-F368 HydrophobicContact CD1-CZ 4.47Å; Y311-F368 HydrophobicContact CE1-CE1 4.02Å; Y311-F368 AromaticContact CE1-CZ 3.64Å; Y311-F368 HydrophobicContact CE1-CZ 3.64Å; Y311-F368 AromaticContact CZ-CZ 3.8Å; Y311-N371 CarbonylContact C-O 3.43Å; Y311-N371 WeakPolarHBondContact CA-O 3.26Å
312L94.1Very high93.4Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-70.9-57.1163.5-69.4167.1000108.6P259 F260 L263 F343 W345 I346 N371P259-L312 HydrophobicContact CG-CB 3.99Å; P259-L312 HydrophobicContact CG-CD1 4.19Å; P259-L312 HydrophobicContact CG-CD2 4.02Å; P259-L312 HydrophobicContact CG-CG 4.3Å; F260-L312 HydrophobicContact CD2-CD1 4.44Å; F260-L312 HydrophobicContact CD2-CD2 4.19Å; F260-L312 HydrophobicContact CE2-CD2 3.89Å; L263-L312 HydrophobicContact CB-CD1 4.2Å; L263-L312 HydrophobicContact CD1-CD1 3.92Å; L312-F343 HydrophobicContact CD2-CD2 3.63Å; L312-F343 HydrophobicContact CD2-CE2 3.63Å; L312-F343 HydrophobicContact CG-CD2 4.22Å; L312-F343 HydrophobicContact CG-CE2 4.08Å; L312-W345 HydrophobicContact CD2-CH2 4.47Å; L312-I346 HydrophobicContact CB-CD1 4.04Å; L312-I346 HydrophobicContact CD2-CD1 3.81Å; L312-I346 WeakPolarHBondContact O-CD1 3.43Å; L312-N371 HydrophobicContact CB-CB 4.17Å; L312-N371 WeakPolarHBondContact CD1-OD1 3.17Å; L312-N371 PolarHBondContact N-O 3.06Å
313T94.8Very high93.2Very high8 Ų833.5 Ų33.55%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-146.5157.8179.665.10000109.8M257 I346 R349 N371M257-T313 VanDerWaalsContact C-OG1 3.31Å; M257-T313 VanDerWaalsContact CA-OG1 3.25Å; M257-T313 WeakPolarHBondContact CA-OG1 3.02Å; M257-T313 WeakPolarHBondContact CE-OG1 3.4Å; M257-T313 PolarHBondContact O-OG1 3.28Å; T313-I346 HydrophobicContact CG2-CG2 4.35Å; T313-R349 CarbonylContact C-O 3.56Å; T313-R349 WeakPolarHBondContact CA-O 3.11Å; T313-N371 PolarHBondContact N-O 3.32Å; T313-N371 PolarHBondContact O-N 3.13Å; T313-N371 WeakPolarHBondContact OG1-CB 3.23Å
314T95.6Very high93.1Very high0 Ų035.5 Ų35.50%017%0.17CC..EExtended strand (participates in β ladder)trans-139.1153.617063.10000110.3M257 Y311 F342 R349 M350 K351 F368 I369M257-T314 VanDerWaalsContact CE-C 3.43Å; Y311-T314 HydrophobicContact CD1-CG2 3.43Å; Y311-T314 VanDerWaalsContact CD1-CG2 3.43Å; Y311-T314 HydrophobicContact CD2-CG2 4.36Å; Y311-T314 HydrophobicContact CE1-CG2 3.87Å; Y311-T314 HydrophobicContact CG-CG2 3.71Å; T314-F342 HydrophobicContact CG2-CE1 3.7Å; T314-F342 HydrophobicContact CG2-CZ 3.78Å; T314-R349 PolarHBondContact N-O 3.14Å; T314-M350 CarbonylContact O-C 3.05Å; T314-M350 VanDerWaalsContact O-CA 3.29Å; T314-M350 WeakPolarHBondContact O-CA 3.31Å; T314-M350 WeakPolarHBondContact OG1-CG 3.34Å; T314-K351 PolarHBondContact O-N 3.37Å; T314-F368 HydrophobicContact CG2-CE2 3.72Å; T314-F368 HydrophobicContact CG2-CZ 3.55Å; T314-I369 CarbonylContact C-O 3.51Å; T314-I369 VanDerWaalsContact CA-O 3.25Å; T314-I369 WeakPolarHBondContact CA-O 3.25Å
315A94.7Very high93.1Very high1 Ų138.7 Ų38.71%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-128.3137.7167.800000109.9M257 K351 F368 I369M257-A315 HydrophobicContact CE-CB 3.95Å; M257-A315 HydrophobicContact SD-CB 3.85Å; A315-K351 CarbonylContact C-O 3.6Å; A315-K351 VanDerWaalsContact CA-O 3.24Å; A315-K351 WeakPolarHBondContact CA-O 3.13Å; A315-K351 HydrophobicContact CB-CB 4.11Å; A315-F368 WeakPolarHBondContact O-CA 3.41Å; A315-I369 HydrophobicContact CB-CB 4.33Å; A315-I369 PolarHBondContact N-O 3.39Å; A315-I369 PolarHBondContact O-N 3.19Å
316A95.1Very high93.2Very high0 Ų041.2 Ų41.20%020%0.203CC..EExtended strand (participates in β ladder)trans-120.9119.3170.800000109.7Y291 L294 F318 K351 V352 A353 T367Y291-A316 HydrophobicContact CE1-CB 3.88Å; L294-A316 HydrophobicContact CD1-CB 3.98Å; A316-F318 HydrophobicContact CB-CD2 4.36Å; A316-F318 HydrophobicContact CB-CE2 3.63Å; A316-F318 HydrophobicContact CB-CZ 4.31Å; A316-K351 PolarHBondContact N-O 3.04Å; A316-V352 HydrophobicContact CB-CG1 4.43Å; A316-V352 WeakPolarHBondContact O-CA 3.45Å; A316-A353 PolarHBondContact O-N 3.16Å; A316-T367 CarbonylContact C-O 3.56Å; A316-T367 WeakPolarHBondContact CA-O 3.14Å
317I94.8Very high93.3Very high3 Ų341.2 Ų41.22%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-110.1102.5-176.6-56.1163.7000107.8G235 T238 A353 A366 T367 I369G235-I317 WeakPolarHBondContact O-CD1 3.47Å; T238-I317 HydrophobicContact CG2-CG2 4.34Å; I317-A353 HydrophobicContact CG1-CB 4.28Å; I317-A353 HydrophobicContact CG2-CB 4.26Å; I317-A366 CarbonylContact O-C 3.48Å; I317-A366 VanDerWaalsContact O-CA 3.26Å; I317-A366 WeakPolarHBondContact O-CA 3.37Å; I317-T367 PolarHBondContact N-O 3.48Å; I317-T367 PolarHBondContact O-N 2.86Å; I317-I369 HydrophobicContact CD1-CD1 3.99Å
318F95.1Very high93.4Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-85.2142.8178.8-69.8-92.1000110.6V287 L290 Y291 L294 A316 I322 V327 A353 T354 C355 S365 A366V287-F318 HydrophobicContact CG1-CE1 4.03Å; V287-F318 HydrophobicContact CG1-CZ 4.21Å; L290-F318 HydrophobicContact CB-CE1 3.91Å; L290-F318 HydrophobicContact CD1-CD1 3.95Å; L290-F318 HydrophobicContact CD1-CE1 4.01Å; Y291-F318 HydrophobicContact CD1-CZ 4.36Å; Y291-F318 HydrophobicContact CD2-CE1 4.38Å; Y291-F318 HydrophobicContact CD2-CE2 4.43Å; Y291-F318 AromaticContact CD2-CZ 3.6Å; Y291-F318 HydrophobicContact CD2-CZ 3.6Å; Y291-F318 HydrophobicContact CE1-CE2 4.29Å; Y291-F318 HydrophobicContact CE1-CZ 4.07Å; Y291-F318 HydrophobicContact CE2-CE1 4.33Å; Y291-F318 AromaticContact CE2-CE2 3.67Å; Y291-F318 HydrophobicContact CE2-CE2 3.67Å; Y291-F318 AromaticContact CE2-CZ 3.28Å; Y291-F318 HydrophobicContact CE2-CZ 3.28Å; Y291-F318 HydrophobicContact CG-CZ 4.15Å; Y291-F318 AromaticContact CZ-CE2 3.57Å; Y291-F318 AromaticContact CZ-CZ 3.52Å; Y291-F318 WeakPolarHBondContact OH-CE2 3.18Å; L294-F318 HydrophobicContact CD1-CZ 4.38Å; A316-F318 HydrophobicContact CB-CD2 4.36Å; A316-F318 HydrophobicContact CB-CE2 3.63Å; A316-F318 HydrophobicContact CB-CZ 4.31Å; F318-I322 HydrophobicContact CB-CD1 3.92Å; F318-I322 HydrophobicContact CD1-CD1 4.02Å; F318-I322 HydrophobicContact CG-CD1 4.44Å; F318-V327 HydrophobicContact CB-CG2 4.36Å; F318-V327 HydrophobicContact CD1-CG2 4.33Å; F318-V327 HydrophobicContact CD2-CB 4.46Å; F318-V327 HydrophobicContact CD2-CG1 3.58Å; F318-V327 HydrophobicContact CD2-CG2 3.96Å; F318-V327 HydrophobicContact CE2-CG1 3.67Å; F318-V327 HydrophobicContact CE2-CG2 4.39Å; F318-V327 HydrophobicContact CG-CG1 4.39Å; F318-V327 HydrophobicContact CG-CG2 3.94Å; F318-A353 PolarHBondContact N-O 3.14Å; F318-T354 HydrophobicContact CB-CG2 4.2Å; F318-T354 CarbonylContact O-C 3.54Å; F318-T354 VanDerWaalsContact O-CA 3.25Å; F318-T354 WeakPolarHBondContact O-CA 3.42Å; F318-C355 PolarHBondContact O-N 3.38Å; F318-S365 CarbonylContact C-O 3.52Å; F318-S365 WeakPolarHBondContact CA-O 3.39Å; F318-A366 HydrophobicContact CD1-CB 3.64Å; F318-A366 HydrophobicContact CE1-CB 3.62Å; F318-A366 HydrophobicContact CG-CB 4.21Å; F318-A366 HydrophobicContact CZ-CB 4.16Å
319R93.7Very high93.5Very high1 Ų142.3 Ų42.30%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-135.1142-179.1-59-177.957.8-171.7-15.5110.7E27 S234 T238 C355 I357 T364 S365E27-R319 IonicContact OE1-CZ 3.68Å; E27-R319 VanDerWaalsContact OE1-CZ 3.24Å; E27-R319 IonicContact OE1-NH1 3.51Å; E27-R319 PolarHBondContact OE1-NH1 3Å; E27-R319 IonicContact OE1-NH2 3.23Å; E27-R319 PolarHBondContact OE1-NH2 3.3Å; E27-R319 IonicContact OE2-CZ 2.78Å; E27-R319 IonicContact OE2-NH1 2.78Å; E27-R319 IonicContact OE2-NH2 3.24Å; E27-R319 PolarHBondContact OE2-NH2 3.11Å; S234-R319 PolarHBondContact OG-NH1 2.99Å; T238-R319 HydrophobicContact CG2-CG 4.14Å; T238-R319 WeakPolarHBondContact OG1-CD 3.37Å; T238-R319 PolarHBondContact OG1-NH1 3.37Å; R319-C355 CarbonylContact C-O 3.58Å; R319-C355 WeakPolarHBondContact CA-O 3.39Å; R319-C355 HydrophobicContact CG-CB 4.3Å; R319-I357 PolarHBondContact NE-O 2.97Å; R319-I357 PolarHBondContact NH2-O 2.9Å; R319-T364 CarbonylContact O-C 3.57Å; R319-T364 VanDerWaalsContact O-CA 3.22Å; R319-T364 WeakPolarHBondContact O-CA 3.5Å; R319-S365 PolarHBondContact N-O 2.92Å; R319-S365 PolarHBondContact O-N 2.7Å
320G92.2Very high93.6Very high5 Ų543.8 Ų43.85%0.05222%0.219CC..EExtended strand (participates in β ladder)trans108-173-174.500000113.2I322 C355 S356 K363G320-I322 PolarHBondContact O-N 3.26Å; G320-C355 PolarHBondContact N-O 3.2Å; G320-S356 WeakPolarHBondContact O-CA 3.46Å; G320-K363 WeakPolarHBondContact CA-O 3.43Å
321K89.9Confident93.6Very high203 Ų20339.8 Ų39.888%0.88320%0.204SC*.SBendtrans-7671.7-178.4-65.4-176.3-180-179.20111.2
322I90.9Very high93.5Very high28 Ų2842 Ų4214%0.14422%0.222CC..  trans-116.3138.3-177.5-59.9168.9000109V287 L290 F318 G320 V327 T364V287-I322 HydrophobicContact CG2-CG2 3.47Å; V287-I322 VanDerWaalsContact CG2-CG2 3.47Å; L290-I322 HydrophobicContact CD1-CD1 4.24Å; F318-I322 HydrophobicContact CB-CD1 3.92Å; F318-I322 HydrophobicContact CD1-CD1 4.02Å; F318-I322 HydrophobicContact CG-CD1 4.44Å; G320-I322 PolarHBondContact O-N 3.26Å; I322-V327 HydrophobicContact CG2-CG2 3.49Å; I322-V327 VanDerWaalsContact CG2-CG2 3.49Å; I322-T364 HydrophobicContact CD1-CG2 3.79Å; I322-T364 HydrophobicContact CG1-CG2 3.58Å
323S90.5Very high93.5Very high56 Ų5644.9 Ų44.939%0.39224%0.242SC..  trans-76.5129.2175.9-173.40000111.1S325 E326 V327S323-S325 VanDerWaalsContact C-N 3.25Å; S323-S325 PolarHBondContact O-N 3.21Å; S323-S325 PolarHBondContact OG-N 2.88Å; S323-S325 PolarHBondContact OG-OG 2.94Å; S323-E326 PolarHBondContact O-N 2.73Å; S323-V327 PolarHBondContact O-N 2.78Å; S323-V327 VanDerWaalsContact O-N 3.14Å
324L90.7Very high93.5Very high76 Ų7645 Ų4540%0.39824%0.244SC..Hα-helixtrans-58.4-39173.6178.861.5000111.8E326 V327 E328 T354L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.56Å; L324-V327 PolarHBondContact O-N 2.76Å; L324-E328 HydrophobicContact CD1-CG 4.18Å; L324-E328 HydrophobicContact CG-CG 4.31Å; L324-E328 WeakPolarHBondContact O-CG 3.14Å; L324-E328 PolarHBondContact O-N 2.76Å; L324-T354 HydrophobicContact CB-CG2 4.42Å; L324-T354 HydrophobicContact CD1-CG2 3.83Å
325S92.9Very high93.3Very high75 Ų7548.2 Ų48.252%0.52426%0.258SS..Hα-helixtrans-63.9-34.1178.959.70000113.3S323 M329S323-S325 VanDerWaalsContact C-N 3.25Å; S323-S325 PolarHBondContact O-N 3.21Å; S323-S325 PolarHBondContact OG-N 2.88Å; S323-S325 PolarHBondContact OG-OG 2.94Å; S325-M329 WeakPolarHBondContact O-CB 3.44Å; S325-M329 PolarHBondContact O-N 3.23Å; S325-M329 VanDerWaalsContact O-N 3.08Å
326E94.1Very high93.1Very high85 Ų8554.7 Ų54.740%0.39729%0.293SS..Hα-helixtrans-70.1-42.1175.7-173.1-175.5168.600110.2V287 S323 L324 M329 E330V287-E326 HydrophobicContact CB-CG 4.13Å; V287-E326 HydrophobicContact CG2-CB 4.4Å; V287-E326 HydrophobicContact CG2-CG 3.83Å; V287-E326 WeakPolarHBondContact CG2-OE1 3.39Å; S323-E326 PolarHBondContact O-N 2.73Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.56Å; E326-M329 PolarHBondContact O-N 3.07Å; E326-E330 WeakPolarHBondContact O-CB 3.37Å; E326-E330 PolarHBondContact O-N 3.06Å
327V94.3Very high92.9Very high0 Ų058.4 Ų58.40%032%0.324CS..Hα-helixtrans-61-48174.4173.90000111.5V287 F318 I322 S323 L324 M329 E330 T331 V352 T354V287-V327 HydrophobicContact CG1-CB 4.49Å; V287-V327 HydrophobicContact CG1-CG2 3.95Å; V287-V327 HydrophobicContact CG2-CG2 4.02Å; F318-V327 HydrophobicContact CB-CG2 4.36Å; F318-V327 HydrophobicContact CD1-CG2 4.33Å; F318-V327 HydrophobicContact CD2-CB 4.46Å; F318-V327 HydrophobicContact CD2-CG1 3.58Å; F318-V327 HydrophobicContact CD2-CG2 3.96Å; F318-V327 HydrophobicContact CE2-CG1 3.67Å; F318-V327 HydrophobicContact CE2-CG2 4.39Å; F318-V327 HydrophobicContact CG-CG1 4.39Å; F318-V327 HydrophobicContact CG-CG2 3.94Å; I322-V327 HydrophobicContact CG2-CG2 3.49Å; I322-V327 VanDerWaalsContact CG2-CG2 3.49Å; S323-V327 PolarHBondContact O-N 2.78Å; S323-V327 VanDerWaalsContact O-N 3.14Å; L324-V327 PolarHBondContact O-N 2.76Å; V327-M329 PolarHBondContact O-N 2.87Å; V327-E330 PolarHBondContact O-N 2.6Å; V327-T331 WeakPolarHBondContact O-CB 3.32Å; V327-T331 PolarHBondContact O-N 2.76Å; V327-T331 PolarHBondContact O-OG1 3.26Å; V327-V352 HydrophobicContact CG1-CB 3.91Å; V327-V352 HydrophobicContact CG1-CG1 4.04Å; V327-V352 HydrophobicContact CG1-CG2 4.28Å; V327-T354 HydrophobicContact CB-CG2 4.26Å; V327-T354 HydrophobicContact CG1-CG2 4.41Å; V327-T354 HydrophobicContact CG2-CG2 3.93Å
328E93.5Very high92.7Very high108 Ų10860.6 Ų60.651%0.50533%0.332SS..Hα-helixtrans-62.1-41.7178.7-72.4176.5159.700112.2L324 T331 A332L324-E328 HydrophobicContact CD1-CG 4.18Å; L324-E328 HydrophobicContact CG-CG 4.31Å; L324-E328 WeakPolarHBondContact O-CG 3.14Å; L324-E328 PolarHBondContact O-N 2.76Å; E328-T331 WeakPolarHBondContact O-CB 3.3Å; E328-T331 PolarHBondContact O-N 3.28Å; E328-A332 PolarHBondContact O-N 3.31Å; E328-A332 VanDerWaalsContact O-N 3.12Å
329M94.8Very high92.4Very high142 Ų14262 Ų6270%0.735%0.346SS*.Hα-helixtrans-63.5-48176.8-174.2-177.5-61.100111.9S325 E326 V327 T331 A332 S333S325-M329 WeakPolarHBondContact O-CB 3.44Å; S325-M329 PolarHBondContact O-N 3.23Å; S325-M329 VanDerWaalsContact O-N 3.08Å; E326-M329 PolarHBondContact O-N 3.07Å; V327-M329 PolarHBondContact O-N 2.87Å; M329-T331 VanDerWaalsContact C-N 3.32Å; M329-T331 PolarHBondContact O-N 2.91Å; M329-A332 PolarHBondContact O-N 2.98Å; M329-S333 PolarHBondContact O-N 2.9Å; M329-S333 PolarHBondContact O-OG 2.8Å
330E95.4Very high92.2Very high37 Ų3766.3 Ų66.317%0.17338%0.376CS..Hα-helixtrans-67.6-34.7178.3-172.260.9-145.100111.4V287 T288 Y291 E326 V327 A332 S333 V334V287-E330 HydrophobicContact CG1-CB 3.82Å; V287-E330 HydrophobicContact CG1-CG 4.06Å; T288-E330 VanDerWaalsContact OG1-CD 3.31Å; T288-E330 PolarHBondContact OG1-OE2 3.41Å; Y291-E330 HydrophobicContact CD2-CB 4.05Å; Y291-E330 HydrophobicContact CD2-CG 3.4Å; Y291-E330 HydrophobicContact CE2-CB 4.12Å; Y291-E330 HydrophobicContact CE2-CG 3.96Å; Y291-E330 HydrophobicContact CG-CG 4.24Å; E326-E330 WeakPolarHBondContact O-CB 3.37Å; E326-E330 PolarHBondContact O-N 3.06Å; V327-E330 PolarHBondContact O-N 2.6Å; E330-A332 VanDerWaalsContact C-N 3.31Å; E330-A332 PolarHBondContact O-N 3.32Å; E330-S333 WeakPolarHBondContact O-CB 3.42Å; E330-S333 PolarHBondContact O-N 3.19Å; E330-S333 VanDerWaalsContact O-N 3.12Å; E330-V334 HydrophobicContact CG-CG2 4.38Å; E330-V334 WeakPolarHBondContact O-CG2 3.49Å; E330-V334 PolarHBondContact O-N 3.42Å
331T94.6Very high92.2Very high8 Ų868.4 Ų68.45%0.04938%0.384CS..Hα-helixtrans-57.7-45.1174.2-56.40000111.2Y291 V327 E328 M329 S333 V334 Q335 M350 V352Y291-T331 PolarHBondContact OH-OG1 3.06Å; V327-T331 WeakPolarHBondContact O-CB 3.32Å; V327-T331 PolarHBondContact O-N 2.76Å; V327-T331 PolarHBondContact O-OG1 3.26Å; E328-T331 WeakPolarHBondContact O-CB 3.3Å; E328-T331 PolarHBondContact O-N 3.28Å; M329-T331 VanDerWaalsContact C-N 3.32Å; M329-T331 PolarHBondContact O-N 2.91Å; T331-S333 VanDerWaalsContact C-N 3.31Å; T331-S333 PolarHBondContact O-N 3.11Å; T331-V334 PolarHBondContact O-N 3.13Å; T331-Q335 HydrophobicContact CG2-CG 4.39Å; T331-Q335 WeakPolarHBondContact O-CB 3.1Å; T331-Q335 VanDerWaalsContact O-CG 3.3Å; T331-Q335 WeakPolarHBondContact O-CG 3.28Å; T331-Q335 PolarHBondContact O-N 3.42Å; T331-M350 HydrophobicContact CG2-CB 4.05Å; T331-M350 HydrophobicContact CG2-CE 4.41Å; T331-M350 HydrophobicContact CG2-SD 4.48Å; T331-V352 HydrophobicContact CG2-CG1 3.89Å; T331-V352 VanDerWaalsContact OG1-CG1 3.23Å; T331-V352 WeakPolarHBondContact OG1-CG1 3.11Å
332A92.8Very high92.3Very high45 Ų4559 Ų5937%0.37234%0.344SS..Hα-helixtrans-62.3-40.1177.100000111.5E328 M329 E330 Q335 N336E328-A332 PolarHBondContact O-N 3.31Å; E328-A332 VanDerWaalsContact O-N 3.12Å; M329-A332 PolarHBondContact O-N 2.98Å; E330-A332 VanDerWaalsContact C-N 3.31Å; E330-A332 PolarHBondContact O-N 3.32Å; A332-Q335 PolarHBondContact O-N 3.44Å; A332-N336 VanDerWaalsContact O-CG 3.27Å; A332-N336 PolarHBondContact O-N 3.47Å; A332-N336 VanDerWaalsContact O-N 3.08Å; A332-N336 PolarHBondContact O-ND2 3.06Å; A332-N336 VanDerWaalsContact O-ND2 3.11Å
333S94Very high92.2Very high61 Ų6157.8 Ų57.843%0.42734%0.337SS..Hα-helixtrans-62.4-45.8174.5-620000112.2M329 E330 T331 N336 A337M329-S333 PolarHBondContact O-N 2.9Å; M329-S333 PolarHBondContact O-OG 2.8Å; E330-S333 WeakPolarHBondContact O-CB 3.42Å; E330-S333 PolarHBondContact O-N 3.19Å; E330-S333 VanDerWaalsContact O-N 3.12Å; T331-S333 VanDerWaalsContact C-N 3.31Å; T331-S333 PolarHBondContact O-N 3.11Å; S333-N336 PolarHBondContact O-N 2.9Å; S333-A337 WeakPolarHBondContact O-CB 3.26Å; S333-A337 PolarHBondContact O-N 3.44Å
334V93.7Very high91.9Very high12 Ų1259.7 Ų59.77%0.07335%0.348CS..Hα-helixtrans-65.3-42.1177.6172.70000111.4Y291 F295 E330 T331 N336 A337 W338 M350Y291-V334 HydrophobicContact CD1-CG1 4.32Å; Y291-V334 HydrophobicContact CD1-CG2 3.91Å; Y291-V334 HydrophobicContact CD2-CG2 4.28Å; Y291-V334 HydrophobicContact CE1-CG2 4.49Å; Y291-V334 HydrophobicContact CG-CG2 3.8Å; F295-V334 HydrophobicContact CD2-CG1 3.95Å; F295-V334 HydrophobicContact CE1-CG1 4.45Å; F295-V334 HydrophobicContact CE2-CG1 3.59Å; F295-V334 HydrophobicContact CZ-CG1 3.86Å; E330-V334 HydrophobicContact CG-CG2 4.38Å; E330-V334 WeakPolarHBondContact O-CG2 3.49Å; E330-V334 PolarHBondContact O-N 3.42Å; T331-V334 PolarHBondContact O-N 3.13Å; V334-N336 VanDerWaalsContact C-N 3.28Å; V334-N336 PolarHBondContact O-N 3.32Å; V334-A337 PolarHBondContact O-N 3.46Å; V334-W338 WeakPolarHBondContact O-CB 3.36Å; V334-W338 PolarHBondContact O-N 3.34Å; V334-M350 HydrophobicContact CG1-CE 3.93Å; V334-M350 HydrophobicContact CG1-SD 4.06Å
335Q91.3Very high91.6Very high66 Ų6659.9 Ų59.931%0.30834%0.344SS..Hα-helixtrans-58-40.8174.8-79.5-177.2-7.400112.1T331 A332 G339 M350T331-Q335 HydrophobicContact CG2-CG 4.39Å; T331-Q335 WeakPolarHBondContact O-CB 3.1Å; T331-Q335 VanDerWaalsContact O-CG 3.3Å; T331-Q335 WeakPolarHBondContact O-CG 3.28Å; T331-Q335 PolarHBondContact O-N 3.42Å; A332-Q335 PolarHBondContact O-N 3.44Å; Q335-G339 WeakPolarHBondContact O-CA 3.4Å; Q335-G339 PolarHBondContact O-N 2.94Å; Q335-M350 HydrophobicContact CB-SD 4.35Å; Q335-M350 HydrophobicContact CG-CB 4.23Å; Q335-M350 HydrophobicContact CG-CG 3.61Å; Q335-M350 HydrophobicContact CG-SD 3.33Å; Q335-M350 WeakPolarHBondContact CG-SD 3.24Å
336N90.6Very high91.2Very high137 Ų13756.9 Ų56.973%0.73332%0.322SS*.Hα-helixtrans-69.6-45.3176.6-70.8-31.8000111.4A332 S333 V334 W338 G339A332-N336 VanDerWaalsContact O-CG 3.27Å; A332-N336 PolarHBondContact O-N 3.47Å; A332-N336 VanDerWaalsContact O-N 3.08Å; A332-N336 PolarHBondContact O-ND2 3.06Å; A332-N336 VanDerWaalsContact O-ND2 3.11Å; S333-N336 PolarHBondContact O-N 2.9Å; V334-N336 VanDerWaalsContact C-N 3.28Å; V334-N336 PolarHBondContact O-N 3.32Å; N336-W338 PolarHBondContact O-N 3.31Å; N336-G339 PolarHBondContact O-N 3Å
337A91.7Very high90.6Very high79 Ų7957.6 Ų57.665%0.65333%0.334SS*.Hα-helixtrans-65.2-38.8-179.100000113S333 V334S333-A337 WeakPolarHBondContact O-CB 3.26Å; S333-A337 PolarHBondContact O-N 3.44Å; V334-A337 PolarHBondContact O-N 3.46Å
338W90.4Very high90Very high49 Ų4963.6 Ų63.619%0.18637%0.366CS..THydrogen-bonded Turntrans-97.55.5-179.8-75.582.3000113.6F295 R307 V334 N336 S340 H341 F342F295-W338 HydrophobicContact CB-CH2 4.41Å; F295-W338 HydrophobicContact CB-CZ2 3.68Å; F295-W338 AromaticContact CD1-CD2 3.7Å; F295-W338 HydrophobicContact CD1-CD2 3.7Å; F295-W338 AromaticContact CD1-CE2 3.71Å; F295-W338 HydrophobicContact CD1-CE3 4.09Å; F295-W338 HydrophobicContact CD1-CG 4.04Å; F295-W338 HydrophobicContact CD1-CH2 4.46Å; F295-W338 HydrophobicContact CD1-CZ2 4.13Å; F295-W338 HydrophobicContact CD1-CZ3 4.44Å; F295-W338 AromaticContact CD1-NE1 3.98Å; F295-W338 HydrophobicContact CE1-CD2 4.29Å; F295-W338 HydrophobicContact CE1-CG 4.29Å; F295-W338 HydrophobicContact CG-CD2 4.46Å; F295-W338 HydrophobicContact CG-CZ2 4.33Å; F295-W338 WeakPolarHBondContact O-CZ2 3.46Å; R307-W338 HydrophobicContact CG-CH2 4.06Å; R307-W338 HydrophobicContact CG-CZ3 4.03Å; V334-W338 WeakPolarHBondContact O-CB 3.36Å; V334-W338 PolarHBondContact O-N 3.34Å; N336-W338 PolarHBondContact O-N 3.31Å; W338-S340 PolarHBondContact O-N 3.08Å; W338-H341 HydrophobicContact CE3-CB 3.96Å; W338-H341 AromaticContact CE3-CG 3.68Å; W338-H341 AromaticContact CE3-ND1 3.56Å; W338-H341 WeakPolarHBondContact O-CA 3.38Å; W338-H341 WeakPolarHBondContact O-CB 3.22Å; W338-H341 PolarHBondContact O-N 3.37Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 3.9Å; W338-F342 WeakPolarHBondContact O-CD2 3.31Å
339G88.2Confident89.7Confident28 Ų2861.7 Ų61.729%0.28935%0.354SS..G310 helixtrans-53.5-32.9-17000000114.8Q335 N336 H341 F342Q335-G339 WeakPolarHBondContact O-CA 3.4Å; Q335-G339 PolarHBondContact O-N 2.94Å; N336-G339 PolarHBondContact O-N 3Å; G339-H341 VanDerWaalsContact C-N 3.27Å; G339-H341 PolarHBondContact O-N 3.25Å; G339-F342 PolarHBondContact O-N 3.5Å
340S90.3Very high89.5Confident92 Ų9255.5 Ų55.564%0.64332%0.323SS*.G310 helixtrans-68.3-21.8176.3610000114.6W338 F342W338-S340 PolarHBondContact O-N 3.08Å; S340-F342 VanDerWaalsContact C-N 3.35Å
341H92.3Very high89.3Confident49 Ų4955.4 Ų55.423%0.22732%0.322CS..G310 helixtrans-91.20.2178.2-59.988.1000112.2R310 Y311 W338 G339R310-H341 CarbonylContact C-O 3.45Å; R310-H341 WeakPolarHBondContact CA-O 3.45Å; Y311-H341 PolarHBondContact N-O 3.17Å; W338-H341 HydrophobicContact CE3-CB 3.96Å; W338-H341 AromaticContact CE3-CG 3.68Å; W338-H341 AromaticContact CE3-ND1 3.56Å; W338-H341 WeakPolarHBondContact O-CA 3.38Å; W338-H341 WeakPolarHBondContact O-CB 3.22Å; W338-H341 PolarHBondContact O-N 3.37Å; G339-H341 VanDerWaalsContact C-N 3.27Å; G339-H341 PolarHBondContact O-N 3.25Å
342F91.3Very high89.2Confident6 Ų656 Ų563%0.02633%0.326CS..BIsolated β-bridgetrans-108.9154.8173.7-73.8-94.6000111.3F295 Y311 T314 W338 G339 S340 R349 M350F295-F342 HydrophobicContact CE1-CE2 4.47Å; F295-F342 HydrophobicContact CE1-CZ 4.35Å; F295-F342 HydrophobicContact CZ-CZ 4.45Å; Y311-F342 VanDerWaalsContact CB-CD1 3.42Å; Y311-F342 VanDerWaalsContact CB-CE1 3.43Å; Y311-F342 HydrophobicContact CD2-CE1 4.42Å; Y311-F342 HydrophobicContact CD2-CE2 4.26Å; Y311-F342 HydrophobicContact CD2-CZ 4.13Å; Y311-F342 HydrophobicContact CG-CD1 4.46Å; Y311-F342 HydrophobicContact CG-CE1 4.11Å; Y311-F342 HydrophobicContact CG-CZ 4.24Å; Y311-F342 WeakPolarHBondContact O-CA 3.19Å; T314-F342 HydrophobicContact CG2-CE1 3.7Å; T314-F342 HydrophobicContact CG2-CZ 3.78Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 3.9Å; W338-F342 WeakPolarHBondContact O-CD2 3.31Å; G339-F342 PolarHBondContact O-N 3.5Å; S340-F342 VanDerWaalsContact C-N 3.35Å; F342-R349 HydrophobicContact CD1-CB 3.68Å; F342-R349 HydrophobicContact CD1-CG 4.31Å; F342-R349 HydrophobicContact CE1-CB 3.99Å; F342-R349 HydrophobicContact CG-CB 4.43Å; F342-M350 HydrophobicContact CE1-CG 4.04Å; F342-M350 HydrophobicContact CE2-SD 4.28Å; F342-M350 HydrophobicContact CZ-CG 3.75Å; F342-M350 HydrophobicContact CZ-SD 3.87Å
343F88.4Confident89.2Confident2 Ų253.9 Ų53.91%0.00931%0.309CS..  trans-69.6127171.4-73.8-79.1000111.7R310 Y311 L312 W345 I346 R349 T373 Y426R310-F343 HydrophobicContact CB-CD2 3.93Å; R310-F343 HydrophobicContact CB-CE1 4.34Å; R310-F343 HydrophobicContact CB-CE2 3.4Å; R310-F343 HydrophobicContact CB-CZ 3.64Å; R310-F343 HydrophobicContact CG-CE2 4.49Å; R310-F343 HydrophobicContact CG-CZ 4.34Å; Y311-F343 WeakPolarHBondContact O-CD2 3.42Å; Y311-F343 PolarHBondContact O-N 3.38Å; L312-F343 HydrophobicContact CD2-CD2 3.63Å; L312-F343 HydrophobicContact CD2-CE2 3.63Å; L312-F343 HydrophobicContact CG-CD2 4.22Å; L312-F343 HydrophobicContact CG-CE2 4.08Å; F343-W345 VanDerWaalsContact C-N 3.26Å; F343-W345 HydrophobicContact CB-CD2 4.44Å; F343-W345 HydrophobicContact CB-CZ2 4.09Å; F343-W345 HydrophobicContact CD1-CZ2 4.13Å; F343-W345 AromaticContact CD1-NE1 3.64Å; F343-W345 HydrophobicContact CG-CZ2 4.05Å; F343-W345 PolarHBondContact O-N 3.46Å; F343-I346 HydrophobicContact CB-CD1 3.95Å; F343-I346 HydrophobicContact CB-CG1 4.11Å; F343-I346 HydrophobicContact CD2-CD1 4.41Å; F343-I346 PolarHBondContact O-N 2.83Å; F343-R349 WeakPolarHBondContact O-CD 3.39Å; F343-R349 PolarHBondContact O-NH1 3.44Å; F343-T373 HydrophobicContact CE2-CG2 3.95Å; F343-T373 HydrophobicContact CZ-CG2 4.02Å; F343-Y426 WeakPolarHBondContact CE1-O 3.26Å; F343-Y426 WeakPolarHBondContact CZ-O 3.45Å
344P85.4Confident89.1Confident96 Ų9652.2 Ų52.262%0.62330%0.296SS*.THydrogen-bonded Turntrans-67.3-24.5-172.725.8-34.6000113.8R349P344-R349 PolarHBondContact O-NH1 3.03Å
345W84.4Confident89Confident80 Ų8051.9 Ų51.930%0.30329%0.294SS..THydrogen-bonded Turntrans-87.9-12.3-176.152.8-100.9000114.4F260 L312 F343 P347F260-W345 AromaticContact CE2-CH2 3.63Å; F260-W345 HydrophobicContact CE2-CH2 3.63Å; F260-W345 HydrophobicContact CE2-CZ2 4.22Å; F260-W345 AromaticContact CZ-CH2 3.4Å; F260-W345 HydrophobicContact CZ-CH2 3.4Å; F260-W345 HydrophobicContact CZ-CZ2 4.1Å; F260-W345 HydrophobicContact CZ-CZ3 4.18Å; L312-W345 HydrophobicContact CD2-CH2 4.47Å; F343-W345 VanDerWaalsContact C-N 3.26Å; F343-W345 HydrophobicContact CB-CD2 4.44Å; F343-W345 HydrophobicContact CB-CZ2 4.09Å; F343-W345 HydrophobicContact CD1-CZ2 4.13Å; F343-W345 AromaticContact CD1-NE1 3.64Å; F343-W345 HydrophobicContact CG-CZ2 4.05Å; F343-W345 PolarHBondContact O-N 3.46Å; W345-P347 WeakPolarHBondContact O-CD 3.09Å
346I84.5Confident89Confident12 Ų1252.3 Ų52.36%0.06230%0.304CS..SBendtrans-80.9117.7176.1-63.1176.6000109.2P259 L312 T313 F343 R349P259-I346 HydrophobicContact CG-CD1 4.34Å; L312-I346 HydrophobicContact CB-CD1 4.04Å; L312-I346 HydrophobicContact CD2-CD1 3.81Å; L312-I346 WeakPolarHBondContact O-CD1 3.43Å; T313-I346 HydrophobicContact CG2-CG2 4.35Å; F343-I346 HydrophobicContact CB-CD1 3.95Å; F343-I346 HydrophobicContact CB-CG1 4.11Å; F343-I346 HydrophobicContact CD2-CD1 4.41Å; F343-I346 PolarHBondContact O-N 2.83Å; I346-R349 HydrophobicContact CB-CG 4.12Å; I346-R349 HydrophobicContact CG2-CG 4.09Å; I346-R349 WeakPolarHBondContact O-CG 3.22Å; I346-R349 PolarHBondContact O-NH1 2.62Å
347P81Confident89Confident100 Ų10046.8 Ų46.865%0.64928%0.275SS*.SBendtrans-74.6153.7175.731.4-34.6000111.3W345 R349W345-P347 WeakPolarHBondContact O-CD 3.09Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 2.92Å
348N82.4Confident89Confident126 Ų12644.2 Ų44.267%0.67425%0.253SS*.SBendtrans48.849.6172.1-61.5-34.6000113.8M350 K351N348-M350 VanDerWaalsContact C-N 3.27Å; N348-M350 PolarHBondContact O-N 3.36Å; N348-K351 PolarHBondContact O-NZ 2.9Å
349R85.9Confident89Confident69 Ų6942 Ų4226%0.2625%0.246SC..  trans-62.5-25.4-167.3-55.6-177.4-113.3-88.913.4115.3T313 T314 F342 F343 P344 I346 P347T313-R349 CarbonylContact C-O 3.56Å; T313-R349 WeakPolarHBondContact CA-O 3.11Å; T314-R349 PolarHBondContact N-O 3.14Å; F342-R349 HydrophobicContact CD1-CB 3.68Å; F342-R349 HydrophobicContact CD1-CG 4.31Å; F342-R349 HydrophobicContact CE1-CB 3.99Å; F342-R349 HydrophobicContact CG-CB 4.43Å; F343-R349 WeakPolarHBondContact O-CD 3.39Å; F343-R349 PolarHBondContact O-NH1 3.44Å; P344-R349 PolarHBondContact O-NH1 3.03Å; I346-R349 HydrophobicContact CB-CG 4.12Å; I346-R349 HydrophobicContact CG2-CG 4.09Å; I346-R349 WeakPolarHBondContact O-CG 3.22Å; I346-R349 PolarHBondContact O-NH1 2.62Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 2.92Å
350M91.3Very high88.9Confident11 Ų1146.6 Ų46.65%0.05426%0.263CS..EExtended strand (participates in β ladder)trans-113.1126.2175.7-47.3-17247.900110.2Y291 F295 T314 T331 V334 Q335 F342 N348Y291-M350 HydrophobicContact CE1-CE 3.96Å; F295-M350 HydrophobicContact CE2-CE 3.66Å; F295-M350 HydrophobicContact CZ-CE 3.47Å; F295-M350 VanDerWaalsContact CZ-CE 3.47Å; F295-M350 HydrophobicContact CZ-SD 4.17Å; T314-M350 CarbonylContact O-C 3.05Å; T314-M350 VanDerWaalsContact O-CA 3.29Å; T314-M350 WeakPolarHBondContact O-CA 3.31Å; T314-M350 WeakPolarHBondContact OG1-CG 3.34Å; T331-M350 HydrophobicContact CG2-CB 4.05Å; T331-M350 HydrophobicContact CG2-CE 4.41Å; T331-M350 HydrophobicContact CG2-SD 4.48Å; V334-M350 HydrophobicContact CG1-CE 3.93Å; V334-M350 HydrophobicContact CG1-SD 4.06Å; Q335-M350 HydrophobicContact CB-SD 4.35Å; Q335-M350 HydrophobicContact CG-CB 4.23Å; Q335-M350 HydrophobicContact CG-CG 3.61Å; Q335-M350 HydrophobicContact CG-SD 3.33Å; Q335-M350 WeakPolarHBondContact CG-SD 3.24Å; F342-M350 HydrophobicContact CE1-CG 4.04Å; F342-M350 HydrophobicContact CE2-SD 4.28Å; F342-M350 HydrophobicContact CZ-CG 3.75Å; F342-M350 HydrophobicContact CZ-SD 3.87Å; N348-M350 VanDerWaalsContact C-N 3.27Å; N348-M350 PolarHBondContact O-N 3.36Å
351K91.6Very high88.7Confident35 Ų3545.9 Ų45.915%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-96.3144.2169.4-53.6-51.3-175.5-158.70109.2N256 M257 T314 A315 A316 N348N256-K351 HydrophobicContact CB-CG 4.34Å; M257-K351 HydrophobicContact SD-CG 4.31Å; T314-K351 PolarHBondContact O-N 3.37Å; A315-K351 CarbonylContact C-O 3.6Å; A315-K351 VanDerWaalsContact CA-O 3.24Å; A315-K351 WeakPolarHBondContact CA-O 3.13Å; A315-K351 HydrophobicContact CB-CB 4.11Å; A316-K351 PolarHBondContact N-O 3.04Å; N348-K351 PolarHBondContact O-NZ 2.9Å
352V92.3Very high88.6Confident21 Ų2145.5 Ų45.513%0.12727%0.269CS..EExtended strand (participates in β ladder)trans-131147.8175-67.70000111.4V246 Y291 A316 V327 T331V246-V352 WeakPolarHBondContact CG2-O 3.25Å; Y291-V352 WeakPolarHBondContact OH-CG1 3.42Å; A316-V352 HydrophobicContact CB-CG1 4.43Å; A316-V352 WeakPolarHBondContact O-CA 3.45Å; V327-V352 HydrophobicContact CG1-CB 3.91Å; V327-V352 HydrophobicContact CG1-CG1 4.04Å; V327-V352 HydrophobicContact CG1-CG2 4.28Å; T331-V352 HydrophobicContact CG2-CG1 3.89Å; T331-V352 VanDerWaalsContact OG1-CG1 3.23Å; T331-V352 WeakPolarHBondContact OG1-CG1 3.11Å
353A91.7Very high88.7Confident1 Ų150.2 Ų50.21%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-143.2151.5176.200000109.2C239 Q245 A316 I317 F318C239-A353 WeakPolarHBondContact SG-CB 3.42Å; Q245-A353 HydrophobicContact CB-CB 4.22Å; Q245-A353 HydrophobicContact CG-CB 4.43Å; Q245-A353 VanDerWaalsContact OE1-CB 3.29Å; A316-A353 PolarHBondContact O-N 3.16Å; I317-A353 HydrophobicContact CG1-CB 4.28Å; I317-A353 HydrophobicContact CG2-CB 4.26Å; F318-A353 PolarHBondContact N-O 3.14Å
354T91.8Very high88.9Confident25 Ų2551 Ų5115%0.15330%0.295CS..EExtended strand (participates in β ladder)trans-135.7122.2179.358.70000110.7Q245 F318 L324 V327Q245-T354 PolarHBondContact NE2-O 3.23Å; Q245-T354 PolarHBondContact OE1-O 3.17Å; Q245-T354 VanDerWaalsContact OE1-O 3.14Å; F318-T354 HydrophobicContact CB-CG2 4.2Å; F318-T354 CarbonylContact O-C 3.54Å; F318-T354 VanDerWaalsContact O-CA 3.25Å; F318-T354 WeakPolarHBondContact O-CA 3.42Å; L324-T354 HydrophobicContact CB-CG2 4.42Å; L324-T354 HydrophobicContact CD1-CG2 3.83Å; V327-T354 HydrophobicContact CB-CG2 4.26Å; V327-T354 HydrophobicContact CG1-CG2 4.41Å; V327-T354 HydrophobicContact CG2-CG2 3.93Å
355C91.7Very high89.4Confident6 Ų646.5 Ų46.54%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-113.6135.5171176.90000109.9T238 F242 F318 R319 G320 I357T238-C355 HydrophobicContact CG2-CB 3.5Å; T238-C355 VanDerWaalsContact CG2-CB 3.5Å; F242-C355 WeakPolarHBondContact CD2-SG 3.26Å; F318-C355 PolarHBondContact O-N 3.38Å; R319-C355 CarbonylContact C-O 3.58Å; R319-C355 WeakPolarHBondContact CA-O 3.39Å; R319-C355 HydrophobicContact CG-CB 4.3Å; G320-C355 PolarHBondContact N-O 3.2Å; C355-I357 PolarHBondContact O-N 3.19Å; C355-I357 PolarHBondContact SG-N 3.16Å; C355-I357 VanDerWaalsContact SG-N 3.41Å
356S90.9Very high89.9Confident74 Ų7442.7 Ų42.752%0.51725%0.251SS..SBendtrans-73.6-9.1179.556.60000114.3L42 G320L42-S356 WeakPolarHBondContact CD2-OG 3.32Å; G320-S356 WeakPolarHBondContact O-CA 3.46Å
357I91.3Very high90.5Very high21 Ų2142.1 Ų42.111%0.10825%0.248CC..  trans-94.4104.6178.4-62.5163.6000110E27 L42 Q43 F242 R319 C355E27-I357 HydrophobicContact CB-CG2 4.49Å; L42-I357 HydrophobicContact CB-CD1 4.33Å; L42-I357 HydrophobicContact CD2-CD1 3.69Å; L42-I357 HydrophobicContact CD2-CG1 3.86Å; L42-I357 HydrophobicContact CG-CD1 3.67Å; L42-I357 HydrophobicContact CG-CG1 4.4Å; Q43-I357 HydrophobicContact CG-CD1 3.64Å; Q43-I357 HydrophobicContact CG-CG1 4.45Å; F242-I357 HydrophobicContact CD1-CD1 3.68Å; F242-I357 HydrophobicContact CE1-CD1 3.22Å; F242-I357 HydrophobicContact CE2-CD1 4.38Å; F242-I357 HydrophobicContact CG-CD1 4.44Å; F242-I357 HydrophobicContact CZ-CB 4.38Å; F242-I357 HydrophobicContact CZ-CD1 3.61Å; F242-I357 HydrophobicContact CZ-CG2 4.34Å; R319-I357 PolarHBondContact NE-O 2.97Å; R319-I357 PolarHBondContact NH2-O 2.9Å; C355-I357 PolarHBondContact O-N 3.19Å; C355-I357 PolarHBondContact SG-N 3.16Å; C355-I357 VanDerWaalsContact SG-N 3.41Å
358A91.6Very high91.3Very high25 Ų2537.3 Ų37.321%0.20722%0.217CC..PPolyproline II helixtrans-73.2153.6172.300000111.7L362 K363A358-L362 VanDerWaalsContact CB-O 3.26Å; A358-L362 WeakPolarHBondContact CB-O 3.36Å; A358-K363 WeakPolarHBondContact CB-O 3.3Å
359P90.7Very high92Very high4 Ų431.3 Ų31.33%0.02619%0.185CC..PPolyproline II helixtrans-58.8154.7168.3-2031.2000112I231 G361 L362 S365I231-P359 HydrophobicContact CD1-CB 4.18Å; I231-P359 HydrophobicContact CD1-CG 4.45Å; I231-P359 HydrophobicContact CG1-CB 4.4Å; I231-P359 HydrophobicContact CG1-CG 4.45Å; P359-G361 PolarHBondContact O-N 3.42Å; P359-L362 HydrophobicContact CB-CD1 4.32Å; P359-L362 HydrophobicContact CG-CD1 4.38Å; P359-L362 PolarHBondContact O-N 3.01Å; P359-L362 VanDerWaalsContact O-N 3.1Å; P359-S365 WeakPolarHBondContact CD-OG 3.45Å; P359-S365 WeakPolarHBondContact CG-OG 3.4Å
360L86.9Confident92.4Very high124 Ų12428 Ų2865%0.64917%0.172SC*.THydrogen-bonded Turntrans-55.3130.4179.7-177.266.7000111.6N26 L362N26-L360 HydrophobicContact CB-CD2 4.49Å; L360-L362 VanDerWaalsContact C-N 3.3Å; L360-L362 PolarHBondContact O-N 3.23Å
361G86.2Confident92.7Very high76 Ų7627.5 Ų27.578%0.78417%0.17SC*.THydrogen-bonded Turntrans82.40.5178.400000115P359P359-G361 PolarHBondContact O-N 3.42Å
362L90.2Very high92.9Very high41 Ų4125.9 Ų25.922%0.21516%0.163CC..  trans-118.4148.2175.5-59.9177.5000110.6I231 F270 P272 F274 A358 P359 L360I231-L362 HydrophobicContact CD1-CD1 4.12Å; F270-L362 HydrophobicContact CE1-CD1 4.17Å; F270-L362 HydrophobicContact CZ-CD1 3.71Å; P272-L362 HydrophobicContact CG-CD2 4.38Å; F274-L362 HydrophobicContact CE2-CD2 4.48Å; F274-L362 HydrophobicContact CZ-CD2 4.28Å; A358-L362 VanDerWaalsContact CB-O 3.26Å; A358-L362 WeakPolarHBondContact CB-O 3.36Å; P359-L362 HydrophobicContact CB-CD1 4.32Å; P359-L362 HydrophobicContact CG-CD1 4.38Å; P359-L362 PolarHBondContact O-N 3.01Å; P359-L362 VanDerWaalsContact O-N 3.1Å; L360-L362 VanDerWaalsContact C-N 3.3Å; L360-L362 PolarHBondContact O-N 3.23Å
363K91.5Very high93.1Very high105 Ų10524.9 Ų24.946%0.45716%0.157SC..SBendtrans-89.6-37.9171.6-66.2-176.4-170.2160.90111.8E283 N284 G320 A358E283-K363 HydrophobicContact CB-CD 4.23Å; E283-K363 VanDerWaalsContact OE2-CE 3.3Å; E283-K363 WeakPolarHBondContact OE2-CE 3.19Å; E283-K363 IonicContact OE2-NZ 2.75Å; E283-K363 PolarHBondContact OE2-NZ 2.69Å; N284-K363 WeakPolarHBondContact OD1-CD 3.37Å; N284-K363 PolarHBondContact OD1-NZ 3.03Å; G320-K363 WeakPolarHBondContact CA-O 3.43Å; A358-K363 WeakPolarHBondContact CB-O 3.3Å
364T93.7Very high93.3Very high20 Ų2024.8 Ų24.812%0.12316%0.156CC..EExtended strand (participates in β ladder)trans-139.7146.3177.652.20000109.7R319 I322R319-T364 CarbonylContact O-C 3.57Å; R319-T364 VanDerWaalsContact O-CA 3.22Å; R319-T364 WeakPolarHBondContact O-CA 3.5Å; I322-T364 HydrophobicContact CD1-CG2 3.79Å; I322-T364 HydrophobicContact CG1-CG2 3.58Å
365S95.2Very high93.6Very high0 Ų023.6 Ų23.60%015%0.149CC..EExtended strand (participates in β ladder)trans-151166.6172.172.10000110.1A271 F318 R319 P359A271-S365 CarbonylContact O-C 3.54Å; A271-S365 VanDerWaalsContact O-CA 3.23Å; A271-S365 WeakPolarHBondContact O-CA 3.38Å; A271-S365 VanDerWaalsContact O-CB 3.3Å; A271-S365 WeakPolarHBondContact O-CB 3.26Å; F318-S365 CarbonylContact C-O 3.52Å; F318-S365 WeakPolarHBondContact CA-O 3.39Å; R319-S365 PolarHBondContact N-O 2.92Å; R319-S365 PolarHBondContact O-N 2.7Å; P359-S365 WeakPolarHBondContact CD-OG 3.45Å; P359-S365 WeakPolarHBondContact CG-OG 3.4Å
366A96.2Very high93.8Very high0 Ų023.5 Ų23.50%015%0.148CC..EExtended strand (participates in β ladder)trans-143142.4171.900000110.4A271 L290 L294 I317 F318A271-A366 PolarHBondContact N-O 3.34Å; A271-A366 PolarHBondContact O-N 3.2Å; L290-A366 HydrophobicContact CB-CB 4.3Å; L290-A366 HydrophobicContact CD1-CB 4.43Å; L294-A366 HydrophobicContact CD1-CB 3.72Å; L294-A366 HydrophobicContact CD2-CB 4.03Å; L294-A366 HydrophobicContact CG-CB 4.18Å; I317-A366 CarbonylContact O-C 3.48Å; I317-A366 VanDerWaalsContact O-CA 3.26Å; I317-A366 WeakPolarHBondContact O-CA 3.37Å; F318-A366 HydrophobicContact CD1-CB 3.64Å; F318-A366 HydrophobicContact CE1-CB 3.62Å; F318-A366 HydrophobicContact CG-CB 4.21Å; F318-A366 HydrophobicContact CZ-CB 4.16Å
367T96.8Very high94Very high0 Ų022.7 Ų22.70%014%0.136CC..EExtended strand (participates in β ladder)trans-115.1133.4175.1-67.80000109.2V232 G235 A316 I317V232-T367 HydrophobicContact CG2-CG2 3.78Å; G235-T367 WeakPolarHBondContact CA-OG1 3.37Å; A316-T367 CarbonylContact C-O 3.56Å; A316-T367 WeakPolarHBondContact CA-O 3.14Å; I317-T367 PolarHBondContact N-O 3.48Å; I317-T367 PolarHBondContact O-N 2.86Å
368F96.9Very high94.2Very high0 Ų021.7 Ų21.70%013%0.131CC..EExtended strand (participates in β ladder)trans-107.5134.9178.6-179.8-98.8000110.5T268 G269 L294 F295 M300 Y311 T314 A315T268-F368 CarbonylContact C-O 3.41Å; T268-F368 WeakPolarHBondContact CA-O 3.48Å; G269-F368 PolarHBondContact N-O 3.2Å; G269-F368 PolarHBondContact O-N 3.05Å; L294-F368 HydrophobicContact CB-CB 4.12Å; L294-F368 HydrophobicContact CB-CD2 4.33Å; L294-F368 HydrophobicContact CB-CG 4.46Å; L294-F368 HydrophobicContact CD1-CB 4.3Å; L294-F368 HydrophobicContact CD2-CB 3.9Å; L294-F368 HydrophobicContact CG-CB 4.31Å; F295-F368 HydrophobicContact CE1-CE2 4.16Å; F295-F368 HydrophobicContact CE1-CZ 4.41Å; F295-F368 HydrophobicContact CE2-CD2 4.36Å; F295-F368 AromaticContact CE2-CE2 3.9Å; F295-F368 HydrophobicContact CE2-CE2 3.9Å; F295-F368 AromaticContact CZ-CE2 3.7Å; F295-F368 HydrophobicContact CZ-CE2 3.7Å; F295-F368 HydrophobicContact CZ-CZ 4.38Å; M300-F368 HydrophobicContact CE-CD1 3.95Å; M300-F368 HydrophobicContact CE-CE1 3.69Å; M300-F368 HydrophobicContact CE-CZ 4.31Å; M300-F368 HydrophobicContact SD-CD1 3.94Å; M300-F368 HydrophobicContact SD-CE1 3.98Å; Y311-F368 HydrophobicContact CD1-CZ 4.47Å; Y311-F368 HydrophobicContact CE1-CE1 4.02Å; Y311-F368 AromaticContact CE1-CZ 3.64Å; Y311-F368 HydrophobicContact CE1-CZ 3.64Å; Y311-F368 AromaticContact CZ-CZ 3.8Å; T314-F368 HydrophobicContact CG2-CE2 3.72Å; T314-F368 HydrophobicContact CG2-CZ 3.55Å; A315-F368 WeakPolarHBondContact O-CA 3.41Å
369I96.6Very high94.5Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-126.7122169.8-56.1164.8000105.8F200 A236 L253 M257 F266 L267 T314 A315 I317F200-I369 HydrophobicContact CE1-CD1 3.94Å; F200-I369 HydrophobicContact CE1-CG1 4.14Å; F200-I369 HydrophobicContact CE1-CG2 3.99Å; A236-I369 HydrophobicContact CB-CD1 3.97Å; A236-I369 HydrophobicContact CB-CG1 4.5Å; L253-I369 HydrophobicContact CD1-CD1 4.5Å; L253-I369 HydrophobicContact CD2-CD1 4.49Å; M257-I369 HydrophobicContact CE-CB 4.34Å; M257-I369 HydrophobicContact CE-CG2 4.01Å; M257-I369 WeakPolarHBondContact CE-O 3.37Å; F266-I369 HydrophobicContact CB-CG2 3.79Å; F266-I369 HydrophobicContact CD1-CG2 4Å; F266-I369 HydrophobicContact CD2-CG2 3.96Å; F266-I369 HydrophobicContact CG-CG2 3.66Å; L267-I369 CarbonylContact O-C 3.48Å; L267-I369 WeakPolarHBondContact O-CA 3.42Å; T314-I369 CarbonylContact C-O 3.51Å; T314-I369 VanDerWaalsContact CA-O 3.25Å; T314-I369 WeakPolarHBondContact CA-O 3.25Å; A315-I369 HydrophobicContact CB-CB 4.33Å; A315-I369 PolarHBondContact N-O 3.39Å; A315-I369 PolarHBondContact O-N 3.19Å; I317-I369 HydrophobicContact CD1-CD1 3.99Å
370G95.9Very high94.7Very high0 Ų024.9 Ų24.90%014%0.14CC..EExtended strand (participates in β ladder)trans-128.8121.1-178.100000111.6L267L267-G370 WeakPolarHBondContact CB-O 3.41Å; L267-G370 PolarHBondContact N-O 3.25Å; L267-G370 PolarHBondContact O-N 2.75Å
371N96.5Very high95.1Very high0 Ų021.1 Ų21.10%012%0.117CC..EExtended strand (participates in β ladder)trans-86109.8165.9-166.6-17000108.3M257 L263 F266 Y311 L312 T313M257-N371 WeakPolarHBondContact O-CB 3.49Å; M257-N371 PolarHBondContact O-ND2 2.97Å; L263-N371 PolarHBondContact O-ND2 3.35Å; L263-N371 PolarHBondContact O-OD1 2.92Å; F266-N371 HydrophobicContact CD1-CB 3.94Å; F266-N371 HydrophobicContact CE1-CB 3.97Å; Y311-N371 CarbonylContact C-O 3.43Å; Y311-N371 WeakPolarHBondContact CA-O 3.26Å; L312-N371 HydrophobicContact CB-CB 4.17Å; L312-N371 WeakPolarHBondContact CD1-OD1 3.17Å; L312-N371 PolarHBondContact N-O 3.06Å; T313-N371 PolarHBondContact N-O 3.32Å; T313-N371 PolarHBondContact O-N 3.13Å; T313-N371 WeakPolarHBondContact OG1-CB 3.23Å
372S96.3Very high95.5Very high0 Ų017.8 Ų17.80%08%0.081CC..EExtended strand (participates in β ladder)trans-138.6139.4-171.1-176.40000111.4R310 S374 I375R310-S372 WeakPolarHBondContact O-CA 3.49Å; R310-S372 PolarHBondContact O-OG 3.21Å; S372-S374 WeakPolarHBondContact CB-OG 3.31Å; S372-S374 PolarHBondContact O-N 3.39Å; S372-S374 VanDerWaalsContact O-N 3.14Å; S372-S374 PolarHBondContact OG-N 3.47Å; S372-S374 PolarHBondContact OG-OG 2.87Å; S372-I375 WeakPolarHBondContact O-CB 3.38Å; S372-I375 WeakPolarHBondContact O-CG2 3.39Å; S372-I375 PolarHBondContact O-N 3.3Å; S372-I375 VanDerWaalsContact O-N 3.13Å
373T96.7Very high95.8Very high0 Ų016 Ų160%07%0.072CC..G310 helixtrans-64.1-17.2173.966.10000113.1G309 R310 F343 I375 Q376 Y423 Q427G309-T373 WeakPolarHBondContact CA-OG1 3.43Å; R310-T373 PolarHBondContact N-OG1 3.3Å; R310-T373 PolarHBondContact O-N 3.45Å; F343-T373 HydrophobicContact CE2-CG2 3.95Å; F343-T373 HydrophobicContact CZ-CG2 4.02Å; T373-I375 PolarHBondContact O-N 3.13Å; T373-Q376 WeakPolarHBondContact O-CB 3.38Å; T373-Q376 WeakPolarHBondContact O-CG 3.23Å; T373-Q376 PolarHBondContact O-N 2.92Å; T373-Q376 PolarHBondContact O-NE2 3.3Å; T373-Y423 HydrophobicContact CG2-CD1 4.28Å; T373-Q427 HydrophobicContact CG2-CB 4.07Å; T373-Q427 PolarHBondContact OG1-OE1 3.05Å
374S96.6Very high96Very high0 Ų014.9 Ų14.90%08%0.077CC..G310 helixtrans-63.7-17.8174.261.70000113.4C304 D305 S372 Q376 E377C304-S374 WeakPolarHBondContact CB-O 3.5Å; C304-S374 PolarHBondContact SG-O 3.36Å; C304-S374 VanDerWaalsContact SG-O 3.34Å; D305-S374 WeakPolarHBondContact O-CB 3.47Å; S372-S374 WeakPolarHBondContact CB-OG 3.31Å; S372-S374 PolarHBondContact O-N 3.39Å; S372-S374 VanDerWaalsContact O-N 3.14Å; S372-S374 PolarHBondContact OG-N 3.47Å; S372-S374 PolarHBondContact OG-OG 2.87Å; S374-Q376 PolarHBondContact O-N 3.38Å; S374-E377 WeakPolarHBondContact O-CB 3.17Å; S374-E377 WeakPolarHBondContact O-CG 3.24Å; S374-E377 PolarHBondContact O-N 3.03Å
375I97Very high96Very high0 Ų016.5 Ų16.50%08%0.084CC..G310 helixtrans-56.7-23.3173.6-165.169.2000112.3C201 F265 L267 V302 S372 T373 E377 L378 F379 Y423C201-I375 HydrophobicContact CB-CD1 4Å; F265-I375 HydrophobicContact CB-CG1 4.02Å; L267-I375 HydrophobicContact CD2-CB 4.39Å; L267-I375 HydrophobicContact CD2-CD1 3.57Å; V302-I375 HydrophobicContact CG1-CD1 3.87Å; S372-I375 WeakPolarHBondContact O-CB 3.38Å; S372-I375 WeakPolarHBondContact O-CG2 3.39Å; S372-I375 PolarHBondContact O-N 3.3Å; S372-I375 VanDerWaalsContact O-N 3.13Å; T373-I375 PolarHBondContact O-N 3.13Å; I375-E377 PolarHBondContact O-N 3.28Å; I375-E377 VanDerWaalsContact O-N 3.1Å; I375-L378 HydrophobicContact CD1-CB 4.44Å; I375-L378 HydrophobicContact CD1-CD2 3.91Å; I375-L378 VanDerWaalsContact O-CB 3.29Å; I375-L378 WeakPolarHBondContact O-CB 3.45Å; I375-L378 PolarHBondContact O-N 3.49Å; I375-F379 HydrophobicContact CG1-CE2 3.92Å; I375-F379 HydrophobicContact CG1-CZ 4.12Å; I375-F379 HydrophobicContact CG2-CE2 4Å; I375-F379 PolarHBondContact O-N 3.21Å; I375-Y423 HydrophobicContact CG2-CD1 4.01Å; I375-Y423 HydrophobicContact CG2-CD2 4.09Å; I375-Y423 HydrophobicContact CG2-CE1 3.5Å; I375-Y423 VanDerWaalsContact CG2-CE1 3.5Å; I375-Y423 HydrophobicContact CG2-CE2 3.63Å; I375-Y423 HydrophobicContact CG2-CG 4.28Å
376Q96.1Very high96.1Very high4 Ų416.6 Ų16.62%0.0198%0.084CC..Hα-helixtrans-57.5-24.2173.375.1177.7-54.200113.8T373 S374 L378 F379 K380 Q424T373-Q376 WeakPolarHBondContact O-CB 3.38Å; T373-Q376 WeakPolarHBondContact O-CG 3.23Å; T373-Q376 PolarHBondContact O-N 2.92Å; T373-Q376 PolarHBondContact O-NE2 3.3Å; S374-Q376 PolarHBondContact O-N 3.38Å; Q376-L378 VanDerWaalsContact C-N 3.32Å; Q376-F379 PolarHBondContact O-N 3.38Å; Q376-K380 WeakPolarHBondContact O-CB 3.25Å; Q376-K380 VanDerWaalsContact O-CG 3.23Å; Q376-K380 WeakPolarHBondContact O-CG 3.31Å; Q376-K380 PolarHBondContact O-N 2.92Å; Q376-Q424 VanDerWaalsContact NE2-OE1 3.14Å
377E95.7Very high96.1Very high56 Ų5622.8 Ų22.826%0.26211%0.111SC..Hα-helixtrans-62.7-40.6175.5-66.3-175.8169.700111.3C304 D305 N308 S374 I375 K380 R381C304-E377 VanDerWaalsContact CA-OE2 3.28Å; C304-E377 WeakPolarHBondContact CA-OE2 3.24Å; C304-E377 HydrophobicContact CB-CB 4.33Å; D305-E377 PolarHBondContact N-OE2 3.44Å; N308-E377 WeakPolarHBondContact CB-OE1 3.34Å; N308-E377 PolarHBondContact ND2-OE1 3.12Å; S374-E377 WeakPolarHBondContact O-CB 3.17Å; S374-E377 WeakPolarHBondContact O-CG 3.24Å; S374-E377 PolarHBondContact O-N 3.03Å; I375-E377 PolarHBondContact O-N 3.28Å; I375-E377 VanDerWaalsContact O-N 3.1Å; E377-K380 PolarHBondContact O-N 3.4Å; E377-R381 WeakPolarHBondContact O-CB 3.47Å; E377-R381 PolarHBondContact O-N 2.93Å
378L95.2Very high96Very high1 Ų125.1 Ų25.11%0.00513%0.13CC..Hα-helixtrans-58.9-50.8173.117564000110.5T170 C201 V302 I375 Q376 R381 V382T170-L378 HydrophobicContact CG2-CD1 4.19Å; T170-L378 HydrophobicContact CG2-CD2 4.12Å; C201-L378 HydrophobicContact CB-CD2 4.23Å; V302-L378 HydrophobicContact CG1-CB 4.36Å; V302-L378 HydrophobicContact CG1-CD2 3.93Å; I375-L378 HydrophobicContact CD1-CB 4.44Å; I375-L378 HydrophobicContact CD1-CD2 3.91Å; I375-L378 VanDerWaalsContact O-CB 3.29Å; I375-L378 WeakPolarHBondContact O-CB 3.45Å; I375-L378 PolarHBondContact O-N 3.49Å; Q376-L378 VanDerWaalsContact C-N 3.32Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 2.69Å; L378-V382 WeakPolarHBondContact O-CG2 3.32Å; L378-V382 PolarHBondContact O-N 2.8Å; L378-V382 VanDerWaalsContact O-N 3.08Å
379F96.8Very high95.9Very high7 Ų726.5 Ų26.53%0.03114%0.137CC..Hα-helixtrans-65.4-41.5-179.3-59.1-46.1000112.3T189 F265 I375 Q376 R381 V382 A383 I416 L419 I420 Y423T189-F379 HydrophobicContact CG2-CD1 4.2Å; T189-F379 HydrophobicContact CG2-CE1 3.71Å; F265-F379 HydrophobicContact CB-CZ 4.19Å; F265-F379 HydrophobicContact CD1-CE1 4.3Å; F265-F379 AromaticContact CD1-CZ 3.65Å; F265-F379 HydrophobicContact CD1-CZ 3.65Å; F265-F379 HydrophobicContact CD2-CE2 4.43Å; F265-F379 HydrophobicContact CD2-CZ 4.02Å; F265-F379 HydrophobicContact CE1-CE1 4.28Å; F265-F379 AromaticContact CE1-CZ 3.93Å; F265-F379 HydrophobicContact CE1-CZ 3.93Å; F265-F379 HydrophobicContact CE2-CZ 4.28Å; F265-F379 HydrophobicContact CG-CE2 4.35Å; F265-F379 AromaticContact CG-CZ 3.69Å; F265-F379 HydrophobicContact CG-CZ 3.69Å; F265-F379 HydrophobicContact CZ-CZ 4.23Å; I375-F379 HydrophobicContact CG1-CE2 3.92Å; I375-F379 HydrophobicContact CG1-CZ 4.12Å; I375-F379 HydrophobicContact CG2-CE2 4Å; I375-F379 PolarHBondContact O-N 3.21Å; Q376-F379 PolarHBondContact O-N 3.38Å; F379-R381 VanDerWaalsContact C-N 3.31Å; F379-R381 PolarHBondContact O-N 3.08Å; F379-V382 PolarHBondContact O-N 3.44Å; F379-A383 WeakPolarHBondContact O-CB 3.46Å; F379-A383 PolarHBondContact O-N 2.91Å; F379-I416 HydrophobicContact CB-CG2 4.01Å; F379-L419 HydrophobicContact CD2-CD2 3.91Å; F379-L419 HydrophobicContact CD2-CG 4.46Å; F379-L419 HydrophobicContact CE1-CD2 4.35Å; F379-L419 HydrophobicContact CE2-CD2 3.6Å; F379-L419 HydrophobicContact CE2-CG 4.34Å; F379-L419 HydrophobicContact CG-CD2 4.43Å; F379-L419 HydrophobicContact CZ-CD2 3.85Å; F379-I420 HydrophobicContact CB-CD1 3.82Å; F379-I420 HydrophobicContact CB-CG1 3.59Å; F379-Y423 HydrophobicContact CD2-CD2 4.48Å; F379-Y423 HydrophobicContact CD2-CE2 4.35Å; F379-Y423 HydrophobicContact CE2-CD2 4.35Å; F379-Y423 AromaticContact CE2-CE2 3.79Å; F379-Y423 HydrophobicContact CE2-CE2 3.79Å
380K96.5Very high95.9Very high89 Ų8928.3 Ų28.339%0.38715%0.145SC..Hα-helixtrans-60-41.3174.8-75.4173.5-174175.50111.3Q376 E377 S384 I420Q376-K380 WeakPolarHBondContact O-CB 3.25Å; Q376-K380 VanDerWaalsContact O-CG 3.23Å; Q376-K380 WeakPolarHBondContact O-CG 3.31Å; Q376-K380 PolarHBondContact O-N 2.92Å; E377-K380 PolarHBondContact O-N 3.4Å; K380-S384 WeakPolarHBondContact O-CB 3.46Å; K380-S384 PolarHBondContact O-N 3.39Å; K380-I420 HydrophobicContact CD-CG2 4.33Å; K380-I420 HydrophobicContact CG-CD1 3.95Å; K380-I420 HydrophobicContact CG-CG1 4.31Å; K380-I420 HydrophobicContact CG-CG2 3.95Å
381R94.8Very high95.9Very high45 Ų4532.5 Ų32.517%0.1717%0.174CC..Hα-helixtrans-61.2-51.9176.8179.7175.3621286.3111.3D203 E205 E377 L378 F379 S384 Q385D203-R381 IonicContact OD1-CZ 2.87Å; D203-R381 IonicContact OD1-NH1 3.27Å; D203-R381 IonicContact OD1-NH2 2.94Å; D203-R381 PolarHBondContact OD1-NH2 3.06Å; D203-R381 VanDerWaalsContact OD1-NH2 3.13Å; D203-R381 IonicContact OD2-CZ 3.25Å; D203-R381 IonicContact OD2-NH1 3.88Å; D203-R381 IonicContact OD2-NH2 3.49Å; D203-R381 PolarHBondContact OD2-NH2 3.2Å; E205-R381 IonicContact OE2-CZ 3.51Å; E205-R381 IonicContact OE2-NH1 3.28Å; E205-R381 PolarHBondContact OE2-NH1 3Å; E377-R381 WeakPolarHBondContact O-CB 3.47Å; E377-R381 PolarHBondContact O-N 2.93Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 2.69Å; F379-R381 VanDerWaalsContact C-N 3.31Å; F379-R381 PolarHBondContact O-N 3.08Å; R381-S384 PolarHBondContact O-N 3.12Å; R381-Q385 WeakPolarHBondContact O-CG 3.33Å; R381-Q385 PolarHBondContact O-N 3.47Å
382V94.4Very high95.9Very high5 Ų542.2 Ų42.23%0.0321%0.211CC..Hα-helixtrans-64.9-44.5180179.10000111T185 I186 L378 F379 S384 Q385 F386T185-V382 HydrophobicContact CG2-CB 4.44Å; T185-V382 HydrophobicContact CG2-CG1 3.68Å; T185-V382 HydrophobicContact CG2-CG2 3.97Å; I186-V382 HydrophobicContact CD1-CB 4.42Å; I186-V382 HydrophobicContact CD1-CG1 3.68Å; I186-V382 HydrophobicContact CG1-CG1 3.82Å; L378-V382 WeakPolarHBondContact O-CG2 3.32Å; L378-V382 PolarHBondContact O-N 2.8Å; L378-V382 VanDerWaalsContact O-N 3.08Å; F379-V382 PolarHBondContact O-N 3.44Å; V382-S384 VanDerWaalsContact C-N 3.33Å; V382-S384 PolarHBondContact O-N 3.06Å; V382-Q385 PolarHBondContact O-N 3.13Å; V382-F386 WeakPolarHBondContact O-CB 3.41Å; V382-F386 PolarHBondContact O-N 3.04Å
383A96.5Very high95.9Very high4 Ų447.7 Ų47.73%0.03324%0.235CC..Hα-helixtrans-60-40.7177.800000112.1F379 K387 Y413 I420F379-A383 WeakPolarHBondContact O-CB 3.46Å; F379-A383 PolarHBondContact O-N 2.91Å; A383-K387 VanDerWaalsContact O-CB 3.32Å; A383-K387 WeakPolarHBondContact O-CB 3.38Å; A383-K387 PolarHBondContact O-N 2.87Å; A383-Y413 HydrophobicContact CB-CE2 3.83Å; A383-Y413 WeakPolarHBondContact O-CE2 3.41Å; A383-I420 HydrophobicContact CB-CD1 4.34Å
384S95.8Very high95.8Very high81 Ų8149.1 Ų49.157%0.56625%0.246SC*.Hα-helixtrans-63.6-42.4176.6-179.70000112.2K380 R381 V382 K387 A388K380-S384 WeakPolarHBondContact O-CB 3.46Å; K380-S384 PolarHBondContact O-N 3.39Å; R381-S384 PolarHBondContact O-N 3.12Å; V382-S384 VanDerWaalsContact C-N 3.33Å; V382-S384 PolarHBondContact O-N 3.06Å; S384-K387 PolarHBondContact O-N 3.28Å; S384-A388 PolarHBondContact O-N 3.43Å; S384-A388 VanDerWaalsContact O-N 3.13Å
385Q94.4Very high95.7Very high54 Ų5452.7 Ų52.725%0.25226%0.262SS..Hα-helixtrans-66.9-46.6177.9-68.8166.1-4.300111.4P182 R381 V382 K387 A388 M389P182-Q385 HydrophobicContact CB-CB 3.93Å; P182-Q385 HydrophobicContact CG-CB 3.86Å; R381-Q385 WeakPolarHBondContact O-CG 3.33Å; R381-Q385 PolarHBondContact O-N 3.47Å; V382-Q385 PolarHBondContact O-N 3.13Å; Q385-K387 PolarHBondContact O-N 3.43Å; Q385-A388 PolarHBondContact O-N 2.9Å; Q385-M389 WeakPolarHBondContact O-CG 3.36Å; Q385-M389 PolarHBondContact O-N 3.27Å; Q385-M389 VanDerWaalsContact O-N 3.12Å
386F95.8Very high95.6Very high2 Ų253.1 Ų53.11%0.00926%0.264CS..Hα-helixtrans-52-53.7172.9175.1-82000111Y183 I186 V382 A388 M389 F390 F409 Y413Y183-F386 AromaticContact CD1-CD2 3.46Å; Y183-F386 HydrophobicContact CD1-CD2 3.46Å; Y183-F386 VanDerWaalsContact CD1-CD2 3.46Å; Y183-F386 AromaticContact CD1-CE2 3.52Å; Y183-F386 HydrophobicContact CD1-CE2 3.52Å; Y183-F386 HydrophobicContact CD1-CG 4.33Å; Y183-F386 HydrophobicContact CD1-CZ 4.42Å; Y183-F386 HydrophobicContact CE1-CD2 4.01Å; Y183-F386 AromaticContact CE1-CE2 3.99Å; Y183-F386 HydrophobicContact CE1-CE2 3.99Å; Y183-F386 HydrophobicContact CE1-CZ 4.49Å; I186-F386 HydrophobicContact CB-CD2 3.71Å; I186-F386 HydrophobicContact CB-CE2 4.06Å; I186-F386 HydrophobicContact CB-CG 4.44Å; I186-F386 HydrophobicContact CG1-CB 3.75Å; I186-F386 HydrophobicContact CG1-CD2 3.49Å; I186-F386 VanDerWaalsContact CG1-CD2 3.49Å; I186-F386 HydrophobicContact CG1-CE2 4.29Å; I186-F386 HydrophobicContact CG1-CG 3.77Å; I186-F386 HydrophobicContact CG2-CD2 3.99Å; I186-F386 HydrophobicContact CG2-CE2 3.92Å; V382-F386 WeakPolarHBondContact O-CB 3.41Å; V382-F386 PolarHBondContact O-N 3.04Å; F386-A388 VanDerWaalsContact C-N 3.29Å; F386-A388 PolarHBondContact O-N 3.13Å; F386-M389 PolarHBondContact O-N 3.38Å; F386-M389 VanDerWaalsContact O-N 3.08Å; F386-F390 HydrophobicContact CD1-CB 4.16Å; F386-F390 HydrophobicContact CE1-CB 3.8Å; F386-F390 HydrophobicContact CE1-CD1 4.22Å; F386-F390 HydrophobicContact CE1-CD2 4.32Å; F386-F390 AromaticContact CE1-CG 3.87Å; F386-F390 HydrophobicContact CE1-CG 3.87Å; F386-F390 HydrophobicContact CZ-CB 4.25Å; F386-F390 HydrophobicContact CZ-CD2 4.05Å; F386-F390 HydrophobicContact CZ-CG 4.08Å; F386-F390 WeakPolarHBondContact O-CB 3.33Å; F386-F390 PolarHBondContact O-N 3.45Å; F386-F409 AromaticContact CE2-CD1 3.88Å; F386-F409 HydrophobicContact CE2-CD1 3.88Å; F386-F409 HydrophobicContact CZ-CB 4.11Å; F386-F409 HydrophobicContact CZ-CD1 4.06Å; F386-F409 WeakPolarHBondContact CZ-O 3.16Å; F386-Y413 AromaticContact CD1-CD2 3.23Å; F386-Y413 HydrophobicContact CD1-CD2 3.23Å; F386-Y413 AromaticContact CD1-CE2 3.74Å; F386-Y413 HydrophobicContact CD1-CE2 3.74Å; F386-Y413 AromaticContact CD1-CG 3.8Å; F386-Y413 HydrophobicContact CD1-CG 3.8Å; F386-Y413 HydrophobicContact CE1-CD1 4.45Å; F386-Y413 AromaticContact CE1-CD2 3.57Å; F386-Y413 HydrophobicContact CE1-CD2 3.57Å; F386-Y413 HydrophobicContact CE1-CE2 4.38Å; F386-Y413 AromaticContact CE1-CG 3.61Å; F386-Y413 HydrophobicContact CE1-CG 3.61Å; F386-Y413 AromaticContact CG-CD2 3.99Å; F386-Y413 HydrophobicContact CG-CD2 3.99Å; F386-Y413 HydrophobicContact CZ-CG 4.45Å
387K97Very high95.5Very high130 Ų13057.5 Ų57.557%0.56529%0.285SS*.Hα-helixtrans-58.5-42.4-177.4-177.6179-177.5173.80111.8A383 S384 Q385 M389 S391 Y413A383-K387 VanDerWaalsContact O-CB 3.32Å; A383-K387 WeakPolarHBondContact O-CB 3.38Å; A383-K387 PolarHBondContact O-N 2.87Å; S384-K387 PolarHBondContact O-N 3.28Å; Q385-K387 PolarHBondContact O-N 3.43Å; K387-M389 VanDerWaalsContact C-N 3.33Å; K387-M389 PolarHBondContact O-N 3.46Å; K387-S391 VanDerWaalsContact O-CB 3.27Å; K387-S391 WeakPolarHBondContact O-CB 3.21Å; K387-S391 PolarHBondContact O-N 2.99Å; K387-S391 PolarHBondContact O-OG 3.49Å; K387-S391 VanDerWaalsContact O-OG 3.14Å; K387-Y413 HydrophobicContact CB-CE2 4.33Å
388A95.1Very high95.4Very high49 Ų4959.2 Ų59.241%0.40529%0.291SS..Hα-helixtrans-61.8-41.3178.100000111.9S384 Q385 F386 S391S384-A388 PolarHBondContact O-N 3.43Å; S384-A388 VanDerWaalsContact O-N 3.13Å; Q385-A388 PolarHBondContact O-N 2.9Å; F386-A388 VanDerWaalsContact C-N 3.29Å; F386-A388 PolarHBondContact O-N 3.13Å; A388-S391 PolarHBondContact O-OG 3.42Å
389M95.1Very high95.5Very high30 Ų3059.2 Ų59.215%0.14829%0.291CS..Hα-helixtrans-70.9-48176.4-66.7-178.963.300112.6V179 P182 Y183 Q385 F386 K387 S391 R392 K393 A394 F395V179-M389 WeakPolarHBondContact O-CE 3.3Å; V179-M389 VanDerWaalsContact O-SD 3.41Å; P182-M389 HydrophobicContact CB-SD 4.06Å; P182-M389 HydrophobicContact CG-SD 3.76Å; Y183-M389 HydrophobicContact CD2-CE 4.33Å; Y183-M389 HydrophobicContact CE1-CB 3.89Å; Y183-M389 HydrophobicContact CE2-CE 4.09Å; Y183-M389 VanDerWaalsContact OH-C 3.23Å; Y183-M389 PolarHBondContact OH-O 3.48Å; Q385-M389 WeakPolarHBondContact O-CG 3.36Å; Q385-M389 PolarHBondContact O-N 3.27Å; Q385-M389 VanDerWaalsContact O-N 3.12Å; F386-M389 PolarHBondContact O-N 3.38Å; F386-M389 VanDerWaalsContact O-N 3.08Å; K387-M389 VanDerWaalsContact C-N 3.33Å; K387-M389 PolarHBondContact O-N 3.46Å; M389-S391 PolarHBondContact O-N 2.73Å; M389-R392 PolarHBondContact O-N 3.33Å; M389-R392 VanDerWaalsContact O-N 3.13Å; M389-K393 PolarHBondContact O-N 3.44Å; M389-A394 HydrophobicContact CB-CB 4.48Å; M389-A394 PolarHBondContact O-N 3Å; M389-A394 VanDerWaalsContact O-N 3.09Å; M389-F395 HydrophobicContact CE-CD2 4.03Å
390F96.5Very high95.4Very high37 Ų3761.8 Ų61.816%0.16231%0.307CS..Hα-helixtrans-64.3-41.3-174.6-166.8-110.2000112.2Y183 F386 R392 K393 L396 E406 F409Y183-F390 HydrophobicContact CE1-CB 4.04Å; Y183-F390 HydrophobicContact CE1-CD2 4.19Å; Y183-F390 VanDerWaalsContact OH-CA 3.31Å; Y183-F390 WeakPolarHBondContact OH-CA 3.33Å; Y183-F390 PolarHBondContact OH-N 3.3Å; F386-F390 HydrophobicContact CD1-CB 4.16Å; F386-F390 HydrophobicContact CE1-CB 3.8Å; F386-F390 HydrophobicContact CE1-CD1 4.22Å; F386-F390 HydrophobicContact CE1-CD2 4.32Å; F386-F390 AromaticContact CE1-CG 3.87Å; F386-F390 HydrophobicContact CE1-CG 3.87Å; F386-F390 HydrophobicContact CZ-CB 4.25Å; F386-F390 HydrophobicContact CZ-CD2 4.05Å; F386-F390 HydrophobicContact CZ-CG 4.08Å; F386-F390 WeakPolarHBondContact O-CB 3.33Å; F386-F390 PolarHBondContact O-N 3.45Å; F390-R392 PolarHBondContact O-N 2.91Å; F390-R392 VanDerWaalsContact O-N 3.07Å; F390-K393 PolarHBondContact O-N 3.46Å; F390-L396 HydrophobicContact CD2-CD1 4.34Å; F390-L396 HydrophobicContact CE2-CD1 3.98Å; F390-L396 HydrophobicContact CE2-CD2 4.28Å; F390-E406 HydrophobicContact CE2-CG 4.05Å; F390-E406 HydrophobicContact CZ-CG 3.6Å; F390-F409 HydrophobicContact CD2-CB 4.23Å; F390-F409 HydrophobicContact CD2-CD1 4.42Å; F390-F409 HydrophobicContact CD2-CG 4.42Å; F390-F409 HydrophobicContact CE2-CB 3.46Å; F390-F409 VanDerWaalsContact CE2-CB 3.46Å; F390-F409 HydrophobicContact CE2-CD1 4.26Å; F390-F409 HydrophobicContact CE2-CD2 4.41Å; F390-F409 AromaticContact CE2-CG 3.82Å; F390-F409 HydrophobicContact CE2-CG 3.82Å; F390-F409 HydrophobicContact CZ-CB 3.85Å
391S96.1Very high95.4Very high88 Ų8864.4 Ų64.462%0.61532%0.321SS*.THydrogen-bonded Turntrans-57.2-25.6175.668.20000114.3K387 A388 M389K387-S391 VanDerWaalsContact O-CB 3.27Å; K387-S391 WeakPolarHBondContact O-CB 3.21Å; K387-S391 PolarHBondContact O-N 2.99Å; K387-S391 PolarHBondContact O-OG 3.49Å; K387-S391 VanDerWaalsContact O-OG 3.14Å; A388-S391 PolarHBondContact O-OG 3.42Å; M389-S391 PolarHBondContact O-N 2.73Å
392R96.3Very high95.3Very high205 Ų20564.8 Ų64.877%0.77433%0.325SS*.THydrogen-bonded Turntrans-100.41.8178.8-62.5176.8-177.8172.71.5112.4M389 F390 A394M389-R392 PolarHBondContact O-N 3.33Å; M389-R392 VanDerWaalsContact O-N 3.13Å; F390-R392 PolarHBondContact O-N 2.91Å; F390-R392 VanDerWaalsContact O-N 3.07Å; R392-A394 HydrophobicContact CB-CB 4.47Å; R392-A394 PolarHBondContact O-N 3.17Å; R392-A394 VanDerWaalsContact O-N 3.09Å
393K95.6Very high95.2Very high115 Ų11567 Ų6750%0.535%0.349SS..THydrogen-bonded Turntrans4932-170-56-165.8173.5-138.60112.5M389 F390 F395 L396 E406M389-K393 PolarHBondContact O-N 3.44Å; F390-K393 PolarHBondContact O-N 3.46Å; K393-F395 PolarHBondContact O-N 3.47Å; K393-L396 HydrophobicContact CB-CB 4.33Å; K393-L396 HydrophobicContact CB-CD2 4.21Å; K393-L396 HydrophobicContact CD-CD2 4.35Å; K393-L396 HydrophobicContact CG-CD2 4.22Å; K393-L396 PolarHBondContact O-N 3.25Å; K393-E406 VanDerWaalsContact NZ-CD 3.26Å; K393-E406 IonicContact NZ-OE1 2.87Å; K393-E406 PolarHBondContact NZ-OE1 3.27Å; K393-E406 IonicContact NZ-OE2 2.76Å; K393-E406 PolarHBondContact NZ-OE2 3.43Å
394A94.6Very high95.2Very high29 Ų2967 Ų6724%0.2435%0.348CS..THydrogen-bonded Turntrans-65.8124.7-175.600000109.3Y183 M389 R392 L396Y183-A394 WeakPolarHBondContact CE2-O 3.47Å; Y183-A394 PolarHBondContact OH-O 2.86Å; M389-A394 HydrophobicContact CB-CB 4.48Å; M389-A394 PolarHBondContact O-N 3Å; M389-A394 VanDerWaalsContact O-N 3.09Å; R392-A394 HydrophobicContact CB-CB 4.47Å; R392-A394 PolarHBondContact O-N 3.17Å; R392-A394 VanDerWaalsContact O-N 3.09Å; A394-L396 PolarHBondContact O-N 2.77Å
395F94.6Very high95.2Very high75 Ų7569 Ų6933%0.32935%0.349SS..THydrogen-bonded Turntrans58.57.5-178.8-50.6-73.6000116.2V179 V180 M389 K393 H397 K398V179-F395 HydrophobicContact CB-CE2 4.12Å; V179-F395 HydrophobicContact CG2-CD2 3.95Å; V179-F395 HydrophobicContact CG2-CE1 4.19Å; V179-F395 HydrophobicContact CG2-CE2 3.47Å; V179-F395 VanDerWaalsContact CG2-CE2 3.47Å; V179-F395 HydrophobicContact CG2-CG 4.5Å; V179-F395 HydrophobicContact CG2-CZ 3.6Å; V180-F395 HydrophobicContact CG1-CB 3.79Å; V180-F395 HydrophobicContact CG1-CD2 4.18Å; V180-F395 HydrophobicContact CG1-CG 3.99Å; M389-F395 HydrophobicContact CE-CD2 4.03Å; K393-F395 PolarHBondContact O-N 3.47Å; F395-H397 VanDerWaalsContact C-N 3.27Å; F395-H397 PolarHBondContact O-N 2.95Å; F395-K398 HydrophobicContact CB-CD 4.35Å; F395-K398 HydrophobicContact CD1-CD 4.39Å; F395-K398 WeakPolarHBondContact O-CB 3.4Å; F395-K398 PolarHBondContact O-N 3.07Å; F395-K398 VanDerWaalsContact O-N 3.11Å
396L94.7Very high95.2Very high9 Ų970.2 Ų70.25%0.04735%0.354CS..THydrogen-bonded Turntrans-59.6-38.2-175.8-174.863.2000112.2F390 K393 A394 K398 Y399 T400 E406 F409F390-L396 HydrophobicContact CD2-CD1 4.34Å; F390-L396 HydrophobicContact CE2-CD1 3.98Å; F390-L396 HydrophobicContact CE2-CD2 4.28Å; K393-L396 HydrophobicContact CB-CB 4.33Å; K393-L396 HydrophobicContact CB-CD2 4.21Å; K393-L396 HydrophobicContact CD-CD2 4.35Å; K393-L396 HydrophobicContact CG-CD2 4.22Å; K393-L396 PolarHBondContact O-N 3.25Å; A394-L396 PolarHBondContact O-N 2.77Å; L396-K398 PolarHBondContact O-N 3.05Å; L396-K398 VanDerWaalsContact O-N 3.12Å; L396-Y399 PolarHBondContact O-N 3.04Å; L396-T400 HydrophobicContact CG-CG2 4.18Å; L396-T400 PolarHBondContact O-N 3.37Å; L396-T400 VanDerWaalsContact O-N 3.15Å; L396-E406 HydrophobicContact CD2-CG 4.12Å; L396-F409 HydrophobicContact CD1-CD1 4.42Å; L396-F409 HydrophobicContact CD1-CD2 3.76Å; L396-F409 HydrophobicContact CD1-CE1 4.16Å; L396-F409 HydrophobicContact CD1-CE2 3.44Å; L396-F409 VanDerWaalsContact CD1-CE2 3.44Å; L396-F409 HydrophobicContact CD1-CG 4.23Å; L396-F409 HydrophobicContact CD1-CZ 3.65Å
397H94.1Very high95.3Very high96 Ų9672.5 Ų72.544%0.44437%0.37SS..Hα-helixtrans-53.5-34.5177.864.9-84.7000113.1F395 Y399 T400 E401F395-H397 VanDerWaalsContact C-N 3.27Å; F395-H397 PolarHBondContact O-N 2.95Å; H397-Y399 PolarHBondContact O-N 3.03Å; H397-T400 VanDerWaalsContact CA-OG1 3.31Å; H397-T400 WeakPolarHBondContact CA-OG1 3.38Å; H397-T400 PolarHBondContact O-N 3.16Å; H397-T400 PolarHBondContact O-OG1 3.18Å; H397-T400 VanDerWaalsContact O-OG1 3.12Å; H397-E401 IonicContact CD2-OE1 3.72Å; H397-E401 VanDerWaalsContact O-CB 3.26Å; H397-E401 WeakPolarHBondContact O-CB 3.31Å; H397-E401 WeakPolarHBondContact O-CG 3.38Å; H397-E401 PolarHBondContact O-N 2.79Å
398K94Very high95.3Very high92 Ų9269.1 Ų69.140%0.436%0.357SS..Hα-helixtrans-61.8-31.1179.2-63.1-173.5173.3-176.60112.5N100 F395 L396 E402N100-K398 PolarHBondContact ND2-O 3.34Å; F395-K398 HydrophobicContact CB-CD 4.35Å; F395-K398 HydrophobicContact CD1-CD 4.39Å; F395-K398 WeakPolarHBondContact O-CB 3.4Å; F395-K398 PolarHBondContact O-N 3.07Å; F395-K398 VanDerWaalsContact O-N 3.11Å; L396-K398 PolarHBondContact O-N 3.05Å; L396-K398 VanDerWaalsContact O-N 3.12Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å
399Y97.1Very high95.4Very high1 Ų166.8 Ų66.80%0.00434%0.337CS..Hα-helixtrans-89.2-40.1-179.5-69.9-106.6000111.3N100 W101 A102 V180 Y183 N184 L187 L396 H397 E401 E402 G403 L404 F409N100-Y399 WeakPolarHBondContact OD1-CD1 3.48Å; N100-Y399 WeakPolarHBondContact OD1-CE1 3.47Å; W101-Y399 HydrophobicContact CB-CE1 4.05Å; A102-Y399 HydrophobicContact CB-CD1 3.91Å; A102-Y399 HydrophobicContact CB-CG 4.5Å; V180-Y399 HydrophobicContact CB-CE2 4.2Å; V180-Y399 VanDerWaalsContact CB-OH 3.31Å; V180-Y399 WeakPolarHBondContact CB-OH 3.36Å; V180-Y399 HydrophobicContact CG1-CE2 4.29Å; V180-Y399 WeakPolarHBondContact CG2-OH 3.09Å; V180-Y399 PolarHBondContact O-OH 3.33Å; Y183-Y399 HydrophobicContact CD2-CD2 4.23Å; Y183-Y399 AromaticContact CD2-CE2 3.7Å; Y183-Y399 HydrophobicContact CD2-CE2 3.7Å; N184-Y399 WeakPolarHBondContact OD1-CE1 3.47Å; N184-Y399 PolarHBondContact OD1-OH 3.39Å; L187-Y399 HydrophobicContact CD1-CD1 4.3Å; L187-Y399 HydrophobicContact CD1-CE1 4.18Å; L396-Y399 PolarHBondContact O-N 3.04Å; H397-Y399 PolarHBondContact O-N 3.03Å; Y399-E401 VanDerWaalsContact C-N 3.28Å; Y399-E401 PolarHBondContact O-N 3.05Å; Y399-E402 WeakPolarHBondContact O-CB 3.47Å; Y399-E402 PolarHBondContact O-N 3.27Å; Y399-G403 PolarHBondContact O-N 3.36Å; Y399-L404 HydrophobicContact CD1-CD2 3.92Å; Y399-L404 HydrophobicContact CG-CD2 4.48Å; Y399-L404 WeakPolarHBondContact O-CB 3.27Å; Y399-L404 PolarHBondContact O-N 3.28Å; Y399-F409 VanDerWaalsContact CB-CZ 3.48Å; Y399-F409 HydrophobicContact CD1-CE1 4.35Å; Y399-F409 AromaticContact CD1-CZ 3.74Å; Y399-F409 HydrophobicContact CD1-CZ 3.74Å; Y399-F409 HydrophobicContact CD2-CZ 4.19Å; Y399-F409 HydrophobicContact CG-CE1 4.4Å; Y399-F409 HydrophobicContact CG-CE2 4.44Å; Y399-F409 AromaticContact CG-CZ 3.56Å; Y399-F409 HydrophobicContact CG-CZ 3.56Å
400T95.5Very high95.4Very high61 Ų6168 Ų6837%0.37435%0.349SS..Hα-helixtrans-66.8-31.1177.859.60000112.4L396 H397 E402 G403 L404L396-T400 HydrophobicContact CG-CG2 4.18Å; L396-T400 PolarHBondContact O-N 3.37Å; L396-T400 VanDerWaalsContact O-N 3.15Å; H397-T400 VanDerWaalsContact CA-OG1 3.31Å; H397-T400 WeakPolarHBondContact CA-OG1 3.38Å; H397-T400 PolarHBondContact O-N 3.16Å; H397-T400 PolarHBondContact O-OG1 3.18Å; H397-T400 VanDerWaalsContact O-OG1 3.12Å; T400-E402 PolarHBondContact O-N 2.89Å; T400-G403 PolarHBondContact O-N 3.21Å; T400-G403 VanDerWaalsContact O-N 3.11Å; T400-L404 VanDerWaalsContact CA-O 3.28Å; T400-L404 WeakPolarHBondContact CA-O 2.97Å; T400-L404 WeakPolarHBondContact CG2-O 3.45Å
401E94.6Very high95.5Very high145 Ų14572 Ų7268%0.67837%0.368SS*.THydrogen-bonded Turntrans-64.8-24.3172.2-76165.7-17100112.7H397 Y399 G403H397-E401 IonicContact CD2-OE1 3.72Å; H397-E401 VanDerWaalsContact O-CB 3.26Å; H397-E401 WeakPolarHBondContact O-CB 3.31Å; H397-E401 WeakPolarHBondContact O-CG 3.38Å; H397-E401 PolarHBondContact O-N 2.79Å; Y399-E401 VanDerWaalsContact C-N 3.28Å; Y399-E401 PolarHBondContact O-N 3.05Å; E401-G403 VanDerWaalsContact C-N 3.33Å
402E94.2Very high95.6Very high53 Ų5367.8 Ų67.825%0.24834%0.339CS..THydrogen-bonded Turntrans-91.36.3174.5-60-69.8162.300112.6A102 K103 T107 K398 Y399 T400A102-E402 HydrophobicContact CB-CB 3.79Å; K103-E402 HydrophobicContact CB-CG 4.08Å; T107-E402 HydrophobicContact CG2-CB 4.5Å; T107-E402 WeakPolarHBondContact CG2-OE2 3.45Å; T107-E402 PolarHBondContact OG1-OE2 2.88Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å; Y399-E402 WeakPolarHBondContact O-CB 3.47Å; Y399-E402 PolarHBondContact O-N 3.27Å; T400-E402 PolarHBondContact O-N 2.89Å
403G92.6Very high95.7Very high52 Ų5260.3 Ų60.354%0.53631%0.311SS..THydrogen-bonded Turntrans95.12.4175.500000116.2Y399 T400 E401Y399-G403 PolarHBondContact O-N 3.36Å; T400-G403 PolarHBondContact O-N 3.21Å; T400-G403 VanDerWaalsContact O-N 3.11Å; E401-G403 VanDerWaalsContact C-N 3.33Å
404L95.9Very high95.8Very high2 Ų257.4 Ų57.41%0.0131%0.305CS..  trans-80.1123.6177.6-171.970.2000111.4W101 A102 H106 L187 Y399 T400 E408 F409W101-L404 HydrophobicContact CE3-CD2 4.28Å; W101-L404 HydrophobicContact CZ3-CD1 3.91Å; W101-L404 HydrophobicContact CZ3-CD2 4.32Å; A102-L404 HydrophobicContact CB-CB 3.8Å; A102-L404 HydrophobicContact CB-CD2 4.15Å; H106-L404 WeakPolarHBondContact NE2-CD1 2.89Å; L187-L404 HydrophobicContact CD1-CD2 3.64Å; L187-L404 HydrophobicContact CD2-CD2 4.12Å; Y399-L404 HydrophobicContact CD1-CD2 3.92Å; Y399-L404 HydrophobicContact CG-CD2 4.48Å; Y399-L404 WeakPolarHBondContact O-CB 3.27Å; Y399-L404 PolarHBondContact O-N 3.28Å; T400-L404 VanDerWaalsContact CA-O 3.28Å; T400-L404 WeakPolarHBondContact CA-O 2.97Å; T400-L404 WeakPolarHBondContact CG2-O 3.45Å; L404-E408 HydrophobicContact CD1-CB 3.8Å; L404-E408 VanDerWaalsContact CD1-CD 3.48Å; L404-E408 HydrophobicContact CD1-CG 4.27Å; L404-E408 WeakPolarHBondContact CD1-OE2 3.32Å; L404-E408 HydrophobicContact CG-CB 4.39Å; L404-F409 HydrophobicContact CB-CE2 4.4Å; L404-F409 HydrophobicContact CD2-CD2 4Å; L404-F409 HydrophobicContact CD2-CE1 4.19Å; L404-F409 HydrophobicContact CD2-CE2 3.3Å; L404-F409 HydrophobicContact CD2-CZ 3.42Å; L404-F409 VanDerWaalsContact CD2-CZ 3.42Å; L404-F409 HydrophobicContact CG-CD2 4.22Å; L404-F409 HydrophobicContact CG-CE2 3.73Å; L404-F409 HydrophobicContact CG-CZ 4.35Å
405E95.6Very high95.9Very high124 Ų12457.1 Ų57.158%0.57930%0.301SS*.  trans-79.8150.6-178.2-59.9-171.816700113S407 E408 F409E405-S407 WeakPolarHBondContact CB-OG 3.5Å; E405-S407 PolarHBondContact O-N 3.09Å; E405-S407 PolarHBondContact OE2-OG 3.04Å; E405-S407 VanDerWaalsContact OE2-OG 3.09Å; E405-E408 HydrophobicContact CB-CG 4.31Å; E405-E408 PolarHBondContact N-OE2 3.12Å; E405-E408 PolarHBondContact O-N 2.9Å; E405-E408 VanDerWaalsContact O-N 3.08Å; E405-F409 WeakPolarHBondContact O-CD2 3.48Å
406E94.9Very high96.1Very high80 Ų8053.6 Ų53.637%0.37429%0.285SS..Hα-helixtrans-62.5-24.6176.5-170.3172.5160.300112.4F390 K393 L396 S410F390-E406 HydrophobicContact CE2-CG 4.05Å; F390-E406 HydrophobicContact CZ-CG 3.6Å; K393-E406 VanDerWaalsContact NZ-CD 3.26Å; K393-E406 IonicContact NZ-OE1 2.87Å; K393-E406 PolarHBondContact NZ-OE1 3.27Å; K393-E406 IonicContact NZ-OE2 2.76Å; K393-E406 PolarHBondContact NZ-OE2 3.43Å; L396-E406 HydrophobicContact CD2-CG 4.12Å; E406-S410 PolarHBondContact O-N 3.45Å; E406-S410 PolarHBondContact O-OG 2.99Å; E406-S410 VanDerWaalsContact O-OG 3.06Å
407S96.3Very high96.3Very high49 Ų4956.2 Ų56.234%0.34330%0.299SS..Hα-helixtrans-60.9-46.9170.427.80000111.8E405 F409 S410 E411E405-S407 WeakPolarHBondContact CB-OG 3.5Å; E405-S407 PolarHBondContact O-N 3.09Å; E405-S407 PolarHBondContact OE2-OG 3.04Å; E405-S407 VanDerWaalsContact OE2-OG 3.09Å; S407-F409 VanDerWaalsContact C-N 3.3Å; S407-F409 PolarHBondContact O-N 3.01Å; S407-S410 CarbonylContact O-C 3.59Å; S407-S410 WeakPolarHBondContact O-CA 3.32Å; S407-S410 WeakPolarHBondContact O-CB 3.41Å; S407-S410 PolarHBondContact O-N 2.8Å; S407-E411 WeakPolarHBondContact O-CG 3.31Å; S407-E411 PolarHBondContact O-N 3.34Å
408E96.9Very high96.4Very high60 Ų6055.6 Ų55.628%0.2830%0.299SS..Hα-helixtrans-62.8-37.5-177.4-64.8176.985.100111.6H106 L404 E405 S410 E411 A412H106-E408 IonicContact CE1-OE1 3.97Å; L404-E408 HydrophobicContact CD1-CB 3.8Å; L404-E408 VanDerWaalsContact CD1-CD 3.48Å; L404-E408 HydrophobicContact CD1-CG 4.27Å; L404-E408 WeakPolarHBondContact CD1-OE2 3.32Å; L404-E408 HydrophobicContact CG-CB 4.39Å; E405-E408 HydrophobicContact CB-CG 4.31Å; E405-E408 PolarHBondContact N-OE2 3.12Å; E405-E408 PolarHBondContact O-N 2.9Å; E405-E408 VanDerWaalsContact O-N 3.08Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 2.84Å; E408-E411 PolarHBondContact O-N 3.36Å; E408-A412 WeakPolarHBondContact O-CB 3.35Å; E408-A412 PolarHBondContact O-N 3.14Å
409F97.5Very high96.6Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-59.1-42.5170.2-78.2-85.9000112.9Y183 L187 F386 F390 L396 Y399 L404 E405 S407 Y413Y183-F409 HydrophobicContact CD1-CD1 4.33Å; Y183-F409 HydrophobicContact CD1-CE1 4.11Å; Y183-F409 HydrophobicContact CD2-CE1 4.13Å; Y183-F409 AromaticContact CG-CE1 3.87Å; Y183-F409 HydrophobicContact CG-CE1 3.87Å; L187-F409 HydrophobicContact CD1-CD1 4.47Å; L187-F409 HydrophobicContact CD1-CE1 3.99Å; L187-F409 HydrophobicContact CD1-CZ 4.39Å; F386-F409 AromaticContact CE2-CD1 3.88Å; F386-F409 HydrophobicContact CE2-CD1 3.88Å; F386-F409 HydrophobicContact CZ-CB 4.11Å; F386-F409 HydrophobicContact CZ-CD1 4.06Å; F386-F409 WeakPolarHBondContact CZ-O 3.16Å; F390-F409 HydrophobicContact CD2-CB 4.23Å; F390-F409 HydrophobicContact CD2-CD1 4.42Å; F390-F409 HydrophobicContact CD2-CG 4.42Å; F390-F409 HydrophobicContact CE2-CB 3.46Å; F390-F409 VanDerWaalsContact CE2-CB 3.46Å; F390-F409 HydrophobicContact CE2-CD1 4.26Å; F390-F409 HydrophobicContact CE2-CD2 4.41Å; F390-F409 AromaticContact CE2-CG 3.82Å; F390-F409 HydrophobicContact CE2-CG 3.82Å; F390-F409 HydrophobicContact CZ-CB 3.85Å; L396-F409 HydrophobicContact CD1-CD1 4.42Å; L396-F409 HydrophobicContact CD1-CD2 3.76Å; L396-F409 HydrophobicContact CD1-CE1 4.16Å; L396-F409 HydrophobicContact CD1-CE2 3.44Å; L396-F409 VanDerWaalsContact CD1-CE2 3.44Å; L396-F409 HydrophobicContact CD1-CG 4.23Å; L396-F409 HydrophobicContact CD1-CZ 3.65Å; Y399-F409 VanDerWaalsContact CB-CZ 3.48Å; Y399-F409 HydrophobicContact CD1-CE1 4.35Å; Y399-F409 AromaticContact CD1-CZ 3.74Å; Y399-F409 HydrophobicContact CD1-CZ 3.74Å; Y399-F409 HydrophobicContact CD2-CZ 4.19Å; Y399-F409 HydrophobicContact CG-CE1 4.4Å; Y399-F409 HydrophobicContact CG-CE2 4.44Å; Y399-F409 AromaticContact CG-CZ 3.56Å; Y399-F409 HydrophobicContact CG-CZ 3.56Å; L404-F409 HydrophobicContact CB-CE2 4.4Å; L404-F409 HydrophobicContact CD2-CD2 4Å; L404-F409 HydrophobicContact CD2-CE1 4.19Å; L404-F409 HydrophobicContact CD2-CE2 3.3Å; L404-F409 HydrophobicContact CD2-CZ 3.42Å; L404-F409 VanDerWaalsContact CD2-CZ 3.42Å; L404-F409 HydrophobicContact CG-CD2 4.22Å; L404-F409 HydrophobicContact CG-CE2 3.73Å; L404-F409 HydrophobicContact CG-CZ 4.35Å; E405-F409 WeakPolarHBondContact O-CD2 3.48Å; S407-F409 VanDerWaalsContact C-N 3.3Å; S407-F409 PolarHBondContact O-N 3.01Å; F409-Y413 VanDerWaalsContact O-CB 3.27Å; F409-Y413 WeakPolarHBondContact O-CB 3.42Å; F409-Y413 PolarHBondContact O-N 2.87Å
410S96.9Very high96.6Very high55 Ų5552 Ų5239%0.38528%0.284SS..Hα-helixtrans-71.5-38.6-177.4-57.30000111.1E406 S407 E408 S414E406-S410 PolarHBondContact O-N 3.45Å; E406-S410 PolarHBondContact O-OG 2.99Å; E406-S410 VanDerWaalsContact O-OG 3.06Å; S407-S410 CarbonylContact O-C 3.59Å; S407-S410 WeakPolarHBondContact O-CA 3.32Å; S407-S410 WeakPolarHBondContact O-CB 3.41Å; S407-S410 PolarHBondContact O-N 2.8Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 2.84Å; S410-S414 WeakPolarHBondContact O-CB 3.39Å; S410-S414 PolarHBondContact O-N 3.07Å
411E97.7Very high96.7Very high121 Ų12152.5 Ų52.557%0.56529%0.29SS*.Hα-helixtrans-64.6-49.6174.7-71.8173.5-167.200111.3S407 E408 Y413 S414 C415S407-E411 WeakPolarHBondContact O-CG 3.31Å; S407-E411 PolarHBondContact O-N 3.34Å; E408-E411 PolarHBondContact O-N 3.36Å; E411-Y413 VanDerWaalsContact C-N 3.31Å; E411-Y413 PolarHBondContact O-N 3.06Å; E411-S414 WeakPolarHBondContact O-CB 3.27Å; E411-S414 PolarHBondContact O-N 3.13Å; E411-S414 VanDerWaalsContact O-N 3.11Å; E411-C415 PolarHBondContact O-N 3.01Å
412A97.8Very high96.7Very high0 Ų047.4 Ų47.40%027%0.266CS..Hα-helixtrans-59.1-44.3176.400000111.5I186 L187 E190 E408 S414 C415 I416I186-A412 HydrophobicContact CG2-CB 3.84Å; L187-A412 HydrophobicContact CD2-CB 3.94Å; E190-A412 HydrophobicContact CB-CB 3.9Å; E190-A412 HydrophobicContact CG-CB 4.14Å; E408-A412 WeakPolarHBondContact O-CB 3.35Å; E408-A412 PolarHBondContact O-N 3.14Å; A412-S414 PolarHBondContact O-N 3.47Å; A412-C415 WeakPolarHBondContact O-CB 3.27Å; A412-C415 PolarHBondContact O-N 2.99Å; A412-I416 WeakPolarHBondContact O-CG1 3.5Å; A412-I416 PolarHBondContact O-N 3.4Å
413Y98.2Very high96.8Very high47 Ų4744.9 Ų44.918%0.18425%0.254CS..Hα-helixtrans-62-41.5175.4-177.7-108.4000112.6A383 F386 K387 F409 E411 I416 L417A383-Y413 HydrophobicContact CB-CE2 3.83Å; A383-Y413 WeakPolarHBondContact O-CE2 3.41Å; F386-Y413 AromaticContact CD1-CD2 3.23Å; F386-Y413 HydrophobicContact CD1-CD2 3.23Å; F386-Y413 AromaticContact CD1-CE2 3.74Å; F386-Y413 HydrophobicContact CD1-CE2 3.74Å; F386-Y413 AromaticContact CD1-CG 3.8Å; F386-Y413 HydrophobicContact CD1-CG 3.8Å; F386-Y413 HydrophobicContact CE1-CD1 4.45Å; F386-Y413 AromaticContact CE1-CD2 3.57Å; F386-Y413 HydrophobicContact CE1-CD2 3.57Å; F386-Y413 HydrophobicContact CE1-CE2 4.38Å; F386-Y413 AromaticContact CE1-CG 3.61Å; F386-Y413 HydrophobicContact CE1-CG 3.61Å; F386-Y413 AromaticContact CG-CD2 3.99Å; F386-Y413 HydrophobicContact CG-CD2 3.99Å; F386-Y413 HydrophobicContact CZ-CG 4.45Å; K387-Y413 HydrophobicContact CB-CE2 4.33Å; F409-Y413 VanDerWaalsContact O-CB 3.27Å; F409-Y413 WeakPolarHBondContact O-CB 3.42Å; F409-Y413 PolarHBondContact O-N 2.87Å; E411-Y413 VanDerWaalsContact C-N 3.31Å; E411-Y413 PolarHBondContact O-N 3.06Å; Y413-I416 PolarHBondContact O-N 3.07Å; Y413-L417 HydrophobicContact CD1-CD1 4.01Å; Y413-L417 HydrophobicContact CD1-CG 4.42Å; Y413-L417 HydrophobicContact CE1-CD1 3.45Å; Y413-L417 VanDerWaalsContact CE1-CD1 3.45Å; Y413-L417 HydrophobicContact CE1-CD2 4.47Å; Y413-L417 HydrophobicContact CE1-CG 4.02Å; Y413-L417 HydrophobicContact CE2-CD2 4.48Å; Y413-L417 WeakPolarHBondContact O-CG 3.5Å; Y413-L417 PolarHBondContact O-N 3.25Å
414S98.1Very high96.9Very high54 Ų5444.6 Ų44.638%0.37824%0.239SC..Hα-helixtrans-61.4-45.3175.4-164.40000111.6S410 E411 A412 I416 L417 D418S410-S414 WeakPolarHBondContact O-CB 3.39Å; S410-S414 PolarHBondContact O-N 3.07Å; E411-S414 WeakPolarHBondContact O-CB 3.27Å; E411-S414 PolarHBondContact O-N 3.13Å; E411-S414 VanDerWaalsContact O-N 3.11Å; A412-S414 PolarHBondContact O-N 3.47Å; S414-I416 VanDerWaalsContact C-N 3.26Å; S414-I416 PolarHBondContact O-N 2.88Å; S414-L417 WeakPolarHBondContact O-CB 3.45Å; S414-L417 PolarHBondContact O-N 3.34Å; S414-D418 VanDerWaalsContact O-CG 3.29Å; S414-D418 PolarHBondContact O-N 3.09Å
415C97.7Very high96.7Very high23 Ų2345.9 Ų45.916%0.15525%0.248CC..Hα-helixtrans-55.1-42.2177.1179.20000112E190 E411 A412 D418 L419E190-C415 HydrophobicContact CB-CB 4.37Å; E190-C415 HydrophobicContact CG-CB 3.92Å; E411-C415 PolarHBondContact O-N 3.01Å; A412-C415 WeakPolarHBondContact O-CB 3.27Å; A412-C415 PolarHBondContact O-N 2.99Å; C415-D418 PolarHBondContact O-N 3.28Å; C415-L419 WeakPolarHBondContact O-CB 3.27Å; C415-L419 PolarHBondContact O-N 3.46Å
416I97.9Very high96.4Very high1 Ų140.7 Ų40.71%0.00522%0.223CC..Hα-helixtrans-70-37.6177.3-58.3-48.1000112.2I186 T189 F379 A412 Y413 S414 D418 L419 I420I186-I416 HydrophobicContact CD1-CB 4.15Å; I186-I416 HydrophobicContact CD1-CG1 3.82Å; I186-I416 HydrophobicContact CD1-CG2 4.03Å; I186-I416 HydrophobicContact CG2-CG1 4.31Å; T189-I416 HydrophobicContact CG2-CD1 3.41Å; T189-I416 VanDerWaalsContact CG2-CD1 3.41Å; F379-I416 HydrophobicContact CB-CG2 4.01Å; A412-I416 WeakPolarHBondContact O-CG1 3.5Å; A412-I416 PolarHBondContact O-N 3.4Å; Y413-I416 PolarHBondContact O-N 3.07Å; S414-I416 VanDerWaalsContact C-N 3.26Å; S414-I416 PolarHBondContact O-N 2.88Å; I416-D418 VanDerWaalsContact C-N 3.33Å; I416-L419 PolarHBondContact O-N 2.91Å; I416-I420 HydrophobicContact CG2-CD1 4.06Å; I416-I420 WeakPolarHBondContact O-CD1 3.27Å; I416-I420 VanDerWaalsContact O-CG1 3.25Å; I416-I420 WeakPolarHBondContact O-CG1 3.31Å; I416-I420 PolarHBondContact O-N 3.11Å
417L98.3Very high96.2Very high64 Ų6438.6 Ų38.634%0.33521%0.213SC..Hα-helixtrans-64.5-38.8173.6-68.5-176000112.1Y413 S414 I420 S421Y413-L417 HydrophobicContact CD1-CD1 4.01Å; Y413-L417 HydrophobicContact CD1-CG 4.42Å; Y413-L417 HydrophobicContact CE1-CD1 3.45Å; Y413-L417 VanDerWaalsContact CE1-CD1 3.45Å; Y413-L417 HydrophobicContact CE1-CD2 4.47Å; Y413-L417 HydrophobicContact CE1-CG 4.02Å; Y413-L417 HydrophobicContact CE2-CD2 4.48Å; Y413-L417 WeakPolarHBondContact O-CG 3.5Å; Y413-L417 PolarHBondContact O-N 3.25Å; S414-L417 WeakPolarHBondContact O-CB 3.45Å; S414-L417 PolarHBondContact O-N 3.34Å; L417-I420 HydrophobicContact CD2-CD1 4.35Å; L417-I420 PolarHBondContact O-N 3.34Å; L417-S421 WeakPolarHBondContact O-CB 3.47Å; L417-S421 PolarHBondContact O-N 3.32Å; L417-S421 PolarHBondContact O-OG 3.27Å
418D97.6Very high95.8Very high84 Ų8442.5 Ų42.545%0.44923%0.226SC..Hα-helixtrans-65.8-42.5175.7-66.2-25.6000110.8S414 C415 I416 S421 E422S414-D418 VanDerWaalsContact O-CG 3.29Å; S414-D418 PolarHBondContact O-N 3.09Å; C415-D418 PolarHBondContact O-N 3.28Å; I416-D418 VanDerWaalsContact C-N 3.33Å; D418-S421 WeakPolarHBondContact O-CB 3.44Å; D418-S421 PolarHBondContact O-N 3.27Å; D418-E422 WeakPolarHBondContact O-CB 3.49Å; D418-E422 PolarHBondContact O-N 3.09Å
419L97.3Very high94.8Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-60.2-45.5174.1-177.568.1000111.8V193 L263 F265 F379 C415 I416 S421 E422 Y423V193-L419 HydrophobicContact CG2-CD2 3.77Å; L263-L419 HydrophobicContact CD2-CD1 4.16Å; F265-L419 HydrophobicContact CD2-CD2 4.42Å; F265-L419 HydrophobicContact CE2-CD1 4.48Å; F265-L419 HydrophobicContact CE2-CD2 3.88Å; F265-L419 HydrophobicContact CZ-CD2 4.31Å; F379-L419 HydrophobicContact CD2-CD2 3.91Å; F379-L419 HydrophobicContact CD2-CG 4.46Å; F379-L419 HydrophobicContact CE1-CD2 4.35Å; F379-L419 HydrophobicContact CE2-CD2 3.6Å; F379-L419 HydrophobicContact CE2-CG 4.34Å; F379-L419 HydrophobicContact CG-CD2 4.43Å; F379-L419 HydrophobicContact CZ-CD2 3.85Å; C415-L419 WeakPolarHBondContact O-CB 3.27Å; C415-L419 PolarHBondContact O-N 3.46Å; I416-L419 PolarHBondContact O-N 2.91Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 2.89Å; L419-E422 PolarHBondContact O-N 3.33Å; L419-Y423 HydrophobicContact CD1-CD2 4.17Å; L419-Y423 HydrophobicContact CD1-CE2 3.76Å; L419-Y423 HydrophobicContact CD2-CE2 4.33Å; L419-Y423 HydrophobicContact CG-CD2 4.02Å; L419-Y423 HydrophobicContact CG-CE2 3.85Å; L419-Y423 VanDerWaalsContact O-CD2 3.3Å; L419-Y423 WeakPolarHBondContact O-CD2 3.38Å; L419-Y423 PolarHBondContact O-N 3Å
420I97.6Very high93.1Very high16 Ų1643.2 Ų43.28%0.08224%0.241CC..Hα-helixtrans-58.7-45174.9-71.9161.6000110.4F379 K380 A383 I416 L417 E422 Y423 Q424F379-I420 HydrophobicContact CB-CD1 3.82Å; F379-I420 HydrophobicContact CB-CG1 3.59Å; K380-I420 HydrophobicContact CD-CG2 4.33Å; K380-I420 HydrophobicContact CG-CD1 3.95Å; K380-I420 HydrophobicContact CG-CG1 4.31Å; K380-I420 HydrophobicContact CG-CG2 3.95Å; A383-I420 HydrophobicContact CB-CD1 4.34Å; I416-I420 HydrophobicContact CG2-CD1 4.06Å; I416-I420 WeakPolarHBondContact O-CD1 3.27Å; I416-I420 VanDerWaalsContact O-CG1 3.25Å; I416-I420 WeakPolarHBondContact O-CG1 3.31Å; I416-I420 PolarHBondContact O-N 3.11Å; L417-I420 HydrophobicContact CD2-CD1 4.35Å; L417-I420 PolarHBondContact O-N 3.34Å; I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 3Å; I420-Y423 PolarHBondContact O-N 3.38Å; I420-Q424 WeakPolarHBondContact O-CB 3.45Å; I420-Q424 PolarHBondContact O-N 3.18Å
421S96.6Very high91Very high72 Ų7247.8 Ų47.850%0.50326%0.256SS..Hα-helixtrans-64.1-38.6-179.5-58.50000111.4L417 D418 L419 Q424 C425L417-S421 WeakPolarHBondContact O-CB 3.47Å; L417-S421 PolarHBondContact O-N 3.32Å; L417-S421 PolarHBondContact O-OG 3.27Å; D418-S421 WeakPolarHBondContact O-CB 3.44Å; D418-S421 PolarHBondContact O-N 3.27Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 2.89Å; S421-Q424 PolarHBondContact O-N 2.92Å; S421-C425 VanDerWaalsContact O-CB 3.23Å; S421-C425 WeakPolarHBondContact O-CB 3.44Å; S421-C425 PolarHBondContact O-N 3.27Å
422E94.9Very high89.1Confident38 Ų3848 Ų4818%0.17826%0.262CS..Hα-helixtrans-63.1-50.2175.2-169.6173.2169.400111.4R262 L263 D418 L419 I420 Q424 C425 Y426R262-E422 VanDerWaalsContact CD-OE2 3.31Å; R262-E422 WeakPolarHBondContact CD-OE2 3.31Å; R262-E422 IonicContact CZ-OE2 3.16Å; R262-E422 IonicContact NE-OE2 3.89Å; R262-E422 IonicContact NH1-OE2 3.82Å; R262-E422 PolarHBondContact NH1-OE2 2.91Å; L263-E422 HydrophobicContact CD2-CG 4.09Å; D418-E422 WeakPolarHBondContact O-CB 3.49Å; D418-E422 PolarHBondContact O-N 3.09Å; L419-E422 PolarHBondContact O-N 3.33Å; I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 3Å; E422-Q424 VanDerWaalsContact C-N 3.31Å; E422-Q424 PolarHBondContact O-N 3.44Å; E422-C425 WeakPolarHBondContact O-CB 3.14Å; E422-C425 PolarHBondContact O-N 3.15Å; E422-Y426 HydrophobicContact CG-CD2 4Å; E422-Y426 HydrophobicContact CG-CE2 3.62Å; E422-Y426 WeakPolarHBondContact O-CD2 3.35Å; E422-Y426 PolarHBondContact O-N 2.97Å
423Y96.4Very high87.1Confident0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-58-42.3174.2-83.7-67.2000112.7L263 T373 I375 F379 L419 I420 Q427L263-Y423 WeakPolarHBondContact CA-OH 3.37Å; L263-Y423 HydrophobicContact CB-CE1 3.79Å; L263-Y423 HydrophobicContact CD1-CD1 3.73Å; L263-Y423 HydrophobicContact CD1-CE1 3.72Å; L263-Y423 HydrophobicContact CD1-CG 4.48Å; L263-Y423 HydrophobicContact CD2-CD1 3.92Å; L263-Y423 HydrophobicContact CD2-CD2 3.97Å; L263-Y423 HydrophobicContact CD2-CE1 3.71Å; L263-Y423 HydrophobicContact CD2-CE2 3.72Å; L263-Y423 HydrophobicContact CD2-CG 4.06Å; L263-Y423 HydrophobicContact CG-CD1 4.3Å; L263-Y423 HydrophobicContact CG-CE1 3.93Å; T373-Y423 HydrophobicContact CG2-CD1 4.28Å; I375-Y423 HydrophobicContact CG2-CD1 4.01Å; I375-Y423 HydrophobicContact CG2-CD2 4.09Å; I375-Y423 HydrophobicContact CG2-CE1 3.5Å; I375-Y423 VanDerWaalsContact CG2-CE1 3.5Å; I375-Y423 HydrophobicContact CG2-CE2 3.63Å; I375-Y423 HydrophobicContact CG2-CG 4.28Å; F379-Y423 HydrophobicContact CD2-CD2 4.48Å; F379-Y423 HydrophobicContact CD2-CE2 4.35Å; F379-Y423 HydrophobicContact CE2-CD2 4.35Å; F379-Y423 AromaticContact CE2-CE2 3.79Å; F379-Y423 HydrophobicContact CE2-CE2 3.79Å; L419-Y423 HydrophobicContact CD1-CD2 4.17Å; L419-Y423 HydrophobicContact CD1-CE2 3.76Å; L419-Y423 HydrophobicContact CD2-CE2 4.33Å; L419-Y423 HydrophobicContact CG-CD2 4.02Å; L419-Y423 HydrophobicContact CG-CE2 3.85Å; L419-Y423 VanDerWaalsContact O-CD2 3.3Å; L419-Y423 WeakPolarHBondContact O-CD2 3.38Å; L419-Y423 PolarHBondContact O-N 3Å; I420-Y423 PolarHBondContact O-N 3.38Å; Y423-Q427 WeakPolarHBondContact O-CB 3.5Å; Y423-Q427 PolarHBondContact O-N 3.11Å
424Q95Very high85Confident46 Ų4648.6 Ų48.622%0.21527%0.269CS..Hα-helixtrans-63.1-43.6177.6-172.369.240.300111.2Q376 I420 S421 E422 Y426 Q427 E428Q376-Q424 VanDerWaalsContact NE2-OE1 3.14Å; I420-Q424 WeakPolarHBondContact O-CB 3.45Å; I420-Q424 PolarHBondContact O-N 3.18Å; S421-Q424 PolarHBondContact O-N 2.92Å; E422-Q424 VanDerWaalsContact C-N 3.31Å; E422-Q424 PolarHBondContact O-N 3.44Å; Q424-Y426 PolarHBondContact O-N 3.42Å; Q424-Q427 WeakPolarHBondContact O-CB 3.48Å; Q424-Q427 PolarHBondContact O-N 3.38Å; Q424-E428 PolarHBondContact NE2-OE1 3.39Å; Q424-E428 WeakPolarHBondContact O-CG 3.42Å; Q424-E428 PolarHBondContact O-N 2.91Å
425C91.9Very high83.1Confident29 Ų2951.2 Ų51.220%0.19628%0.279CS..Hα-helixtrans-59.2-47.5178.9-167.70000111.7S421 E422 G429 C430 T433S421-C425 VanDerWaalsContact O-CB 3.23Å; S421-C425 WeakPolarHBondContact O-CB 3.44Å; S421-C425 PolarHBondContact O-N 3.27Å; E422-C425 WeakPolarHBondContact O-CB 3.14Å; E422-C425 PolarHBondContact O-N 3.15Å; C425-G429 PolarHBondContact O-N 3.24Å; C425-G429 VanDerWaalsContact O-N 3.13Å; C425-C430 PolarHBondContact O-N 3.2Å; C425-C430 WeakPolarHBondContact SG-CB 3.49Å; C425-T433 PolarHBondContact SG-OG1 3.37Å
426Y89.8Confident81.1Confident15 Ų1557.4 Ų57.46%0.05931%0.305CS..Hα-helixtrans-65.3-41174.4-73.7-68.7000111.9F260 L263 F343 E422 Q424 E428 G429 T433F260-Y426 HydrophobicContact CD1-CE1 4.21Å; F260-Y426 AromaticContact CD1-CZ 3.93Å; F260-Y426 HydrophobicContact CD2-CD1 4.24Å; F260-Y426 HydrophobicContact CD2-CD2 4.45Å; F260-Y426 AromaticContact CD2-CE1 3.91Å; F260-Y426 HydrophobicContact CD2-CE1 3.91Å; F260-Y426 HydrophobicContact CD2-CE2 4.11Å; F260-Y426 HydrophobicContact CD2-CG 4.5Å; F260-Y426 AromaticContact CD2-CZ 3.83Å; F260-Y426 AromaticContact CE1-CE1 3.79Å; F260-Y426 HydrophobicContact CE1-CE1 3.79Å; F260-Y426 AromaticContact CE1-CZ 3.99Å; F260-Y426 AromaticContact CE2-CD1 3.6Å; F260-Y426 HydrophobicContact CE2-CD1 3.6Å; F260-Y426 AromaticContact CE2-CE1 3.39Å; F260-Y426 HydrophobicContact CE2-CE1 3.39Å; F260-Y426 HydrophobicContact CE2-CE2 4.39Å; F260-Y426 HydrophobicContact CE2-CG 4.21Å; F260-Y426 AromaticContact CE2-CZ 3.83Å; F260-Y426 HydrophobicContact CG-CE1 4.26Å; F260-Y426 HydrophobicContact CG-CE2 4.27Å; F260-Y426 AromaticContact CG-CZ 3.85Å; F260-Y426 AromaticContact CZ-CD1 3.89Å; F260-Y426 HydrophobicContact CZ-CD1 3.89Å; F260-Y426 AromaticContact CZ-CE1 3.32Å; F260-Y426 HydrophobicContact CZ-CE1 3.32Å; F260-Y426 AromaticContact CZ-CZ 3.9Å; L263-Y426 HydrophobicContact CD1-CD2 3.55Å; L263-Y426 HydrophobicContact CD1-CE2 3.91Å; L263-Y426 HydrophobicContact CD1-CG 4.32Å; F343-Y426 WeakPolarHBondContact CE1-O 3.26Å; F343-Y426 WeakPolarHBondContact CZ-O 3.45Å; E422-Y426 HydrophobicContact CG-CD2 4Å; E422-Y426 HydrophobicContact CG-CE2 3.62Å; E422-Y426 WeakPolarHBondContact O-CD2 3.35Å; E422-Y426 PolarHBondContact O-N 2.97Å; Q424-Y426 PolarHBondContact O-N 3.42Å; Y426-E428 VanDerWaalsContact C-N 3.34Å; Y426-E428 PolarHBondContact O-N 3.41Å; Y426-G429 PolarHBondContact O-N 3.12Å; Y426-G429 VanDerWaalsContact O-N 3.16Å; Y426-T433 HydrophobicContact CE1-CG2 4.22Å
427Q90.8Very high79Confident36 Ų3659.3 Ų59.317%0.16832%0.322CS..Hα-helixtrans-58.2-43.8178.1-179.1168.2-51.100113.1N308 G309 T373 Y423 Q424 G429N308-Q427 PolarHBondContact O-NE2 2.64Å; N308-Q427 PolarHBondContact O-OE1 2.88Å; G309-Q427 VanDerWaalsContact CA-OE1 3.28Å; T373-Q427 HydrophobicContact CG2-CB 4.07Å; T373-Q427 PolarHBondContact OG1-OE1 3.05Å; Y423-Q427 WeakPolarHBondContact O-CB 3.5Å; Y423-Q427 PolarHBondContact O-N 3.11Å; Q424-Q427 WeakPolarHBondContact O-CB 3.48Å; Q424-Q427 PolarHBondContact O-N 3.38Å; Q427-G429 VanDerWaalsContact C-N 3.29Å
428E87.8Confident76.9Confident131 Ų13162.5 Ų62.561%0.61234%0.336SS*.Hα-helixtrans-76.5-17.3179.6-69178179.300112.8Q424 Y426Q424-E428 PolarHBondContact NE2-OE1 3.39Å; Q424-E428 WeakPolarHBondContact O-CG 3.42Å; Q424-E428 PolarHBondContact O-N 2.91Å; Y426-E428 VanDerWaalsContact C-N 3.34Å; Y426-E428 PolarHBondContact O-N 3.41Å
429G74.6Confident74.3Confident24 Ų2464.1 Ų64.125%0.24737%0.372CS..THydrogen-bonded Turntrans784017700000113.2C425 Y426 Q427 E431C425-G429 PolarHBondContact O-N 3.24Å; C425-G429 VanDerWaalsContact O-N 3.13Å; Y426-G429 PolarHBondContact O-N 3.12Å; Y426-G429 VanDerWaalsContact O-N 3.16Å; Q427-G429 VanDerWaalsContact C-N 3.29Å; G429-E431 PolarHBondContact O-N 3.12Å
430C62.5Low73.2Confident52 Ų5267.3 Ų67.335%0.35139%0.391SS..  trans-54107.2171.8-75.20000110C425 D432 T433 I434C425-C430 PolarHBondContact O-N 3.2Å; C425-C430 WeakPolarHBondContact SG-CB 3.49Å; C430-D432 PolarHBondContact O-N 3.43Å; C430-T433 WeakPolarHBondContact CB-OG1 3.43Å; C430-T433 PolarHBondContact O-N 2.76Å; C430-I434 PolarHBondContact O-N 2.87Å
431E53.2Low71.9Confident150 Ų15070 Ų7070%0.70141%0.407SS*.Hα-helixtrans-55.5-36.3-176-71.9-175.5156.600112G429 T433 I434 N435G429-E431 PolarHBondContact O-N 3.12Å; E431-T433 VanDerWaalsContact C-N 3.29Å; E431-T433 PolarHBondContact O-N 3.21Å; E431-I434 PolarHBondContact O-N 2.87Å; E431-N435 VanDerWaalsContact O-CB 3.27Å; E431-N435 WeakPolarHBondContact O-CB 3.44Å; E431-N435 PolarHBondContact O-N 3.08Å; E431-N435 PolarHBondContact O-ND2 2.81Å; E431-N435 VanDerWaalsContact O-ND2 3.09Å
432D57.5Low70.5Confident127 Ų12769.9 Ų69.968%0.67940%0.402SS*.Hα-helixtrans-61.6-37178.8-68.7-29.2000112.4C430 Q436C430-D432 PolarHBondContact O-N 3.43Å; D432-Q436 WeakPolarHBondContact O-CB 3.35Å; D432-Q436 VanDerWaalsContact O-CG 3.27Å; D432-Q436 WeakPolarHBondContact O-CG 3.43Å; D432-Q436 PolarHBondContact O-N 3.06Å
433T55.1Low69.1Low34 Ų3471.8 Ų71.821%0.20942%0.415CS..Hα-helixtrans-78.5-37.1-179.5-29.10000111.2C425 Y426 C430 E431 A437C425-T433 PolarHBondContact SG-OG1 3.37Å; Y426-T433 HydrophobicContact CE1-CG2 4.22Å; C430-T433 WeakPolarHBondContact CB-OG1 3.43Å; C430-T433 PolarHBondContact O-N 2.76Å; E431-T433 VanDerWaalsContact C-N 3.29Å; E431-T433 PolarHBondContact O-N 3.21Å; T433-A437 VanDerWaalsContact O-CB 3.24Å; T433-A437 WeakPolarHBondContact O-CB 3.28Å; T433-A437 PolarHBondContact O-N 3.11Å
434I55.5Low67.4Low25 Ų2576.3 Ų76.313%0.12844%0.441CS..Hα-helixtrans-65.5-43.8173.9-62.9171.7000110.1C430 E431 A437 M438C430-I434 PolarHBondContact O-N 2.87Å; E431-I434 PolarHBondContact O-N 2.87Å; I434-A437 PolarHBondContact O-N 2.94Å; I434-M438 HydrophobicContact CG2-CG 4.31Å; I434-M438 HydrophobicContact CG2-SD 3.86Å; I434-M438 WeakPolarHBondContact O-CB 3.37Å; I434-M438 VanDerWaalsContact O-CG 3.31Å; I434-M438 WeakPolarHBondContact O-CG 3.21Å; I434-M438 PolarHBondContact O-N 3.34Å
435N57.5Low65.5Low108 Ų10878.3 Ų78.358%0.57846%0.456SS*.Hα-helixtrans-66.5-38.5178.4-71.8-30.9000112.4E431 G439E431-N435 VanDerWaalsContact O-CB 3.27Å; E431-N435 WeakPolarHBondContact O-CB 3.44Å; E431-N435 PolarHBondContact O-N 3.08Å; E431-N435 PolarHBondContact O-ND2 2.81Å; E431-N435 VanDerWaalsContact O-ND2 3.09Å; N435-G439 PolarHBondContact O-N 3.09Å
436Q56.1Low63.6Low153 Ų15381.8 Ų81.872%0.71548%0.475SS*.Hα-helixtrans-69.4-31.8174.4-79.3179.1000113.3D432D432-Q436 WeakPolarHBondContact O-CB 3.35Å; D432-Q436 VanDerWaalsContact O-CG 3.27Å; D432-Q436 WeakPolarHBondContact O-CG 3.43Å; D432-Q436 PolarHBondContact O-N 3.06Å
437A52.6Low61.6Low42 Ų4286.9 Ų86.935%0.34751%0.507SS..Hα-helixtrans-89.4-17.4-177.500000113.8F260 T433 I434F260-A437 HydrophobicContact CD1-CB 3.92Å; F260-A437 HydrophobicContact CE1-CB 3.36Å; F260-A437 HydrophobicContact CZ-CB 4.27Å; T433-A437 VanDerWaalsContact O-CB 3.24Å; T433-A437 WeakPolarHBondContact O-CB 3.28Å; T433-A437 PolarHBondContact O-N 3.11Å; I434-A437 PolarHBondContact O-N 2.94Å
438M54.5Low59.2Low131 Ų13191.2 Ų91.265%0.64554%0.535SS*.Hα-helixtrans-89.2-19.1172.8-73-172.567.800114I434I434-M438 HydrophobicContact CG2-CG 4.31Å; I434-M438 HydrophobicContact CG2-SD 3.86Å; I434-M438 WeakPolarHBondContact O-CB 3.37Å; I434-M438 VanDerWaalsContact O-CG 3.31Å; I434-M438 WeakPolarHBondContact O-CG 3.21Å; I434-M438 PolarHBondContact O-N 3.34Å
439G43.5Very low56.6Low117 Ų11787.5 Ų87.5100%1.20653%0.528SS*.  trans-89017400000111.6N435N435-G439 PolarHBondContact O-N 3.09Å

Retrieved 439 of 439 residues in 342.2 ms (Link to these results)

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