A0A087X7P6_POEFO Loading...

Protein deacetylase HDAC6

AlphaFold DB , UniProt , Accession A0A087X7P6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 850 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.4Very high96.9Very high33 Ų3373.9 Ų73.916%0.16335%0.347CS..  0-39.30-84.2-57.7-174.800120.5V3 A4 I19 I30 L110 V111 S112 V149 A151 E153M1-V3 PolarHBondContact O-N 3.33Å; M1-A4 WeakPolarHBondContact O-CB 3.17Å; M1-A4 PolarHBondContact O-N 3.17Å; M1-A4 HydrophobicContact SD-CB 4.39Å; M1-I19 HydrophobicContact CB-CG2 4.08Å; M1-I30 HydrophobicContact CB-CD1 4.14Å; M1-L110 HydrophobicContact CE-CB 4.2Å; M1-L110 HydrophobicContact CG-CB 4.19Å; M1-L110 HydrophobicContact SD-CB 3.94Å; M1-L110 HydrophobicContact SD-CD1 4.27Å; M1-L110 HydrophobicContact SD-CD2 4.42Å; M1-L110 HydrophobicContact SD-CG 4.45Å; M1-V111 WeakPolarHBondContact CE-O 3.34Å; M1-S112 WeakPolarHBondContact CB-OG 3.27Å; M1-S112 VanDerWaalsContact CG-OG 3.28Å; M1-S112 WeakPolarHBondContact CG-OG 3.4Å; M1-V149 WeakPolarHBondContact CE-O 3.33Å; M1-A151 HydrophobicContact CE-CB 3.43Å; M1-A151 VanDerWaalsContact CE-CB 3.43Å; M1-A151 VanDerWaalsContact CE-N 3.3Å; M1-A151 HydrophobicContact SD-CB 4.3Å; M1-E153 PolarHBondContact N-OE1 3.31Å
2A96.8Very high96.7Very high13 Ų1378.4 Ų78.411%0.10737%0.368CS..Hα-helixtrans-48.6-35.1-160.600000119.3A4 A5 R6 I30 L33 F34A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.49Å; A2-A5 PolarHBondContact O-N 2.94Å; A2-R6 PolarHBondContact O-N 2.85Å; A2-I30 HydrophobicContact CB-CG1 4.44Å; A2-L33 HydrophobicContact CB-CD1 3.63Å; A2-F34 HydrophobicContact CB-CE2 3.56Å; A2-F34 HydrophobicContact CB-CZ 3.99Å
3V98Very high96.3Very high123 Ų12378.2 Ų78.275%0.74539%0.387SS*.Hα-helixtrans-63.9-36.8178.41760000111.7M1 R6 Y7M1-V3 PolarHBondContact O-N 3.33Å; V3-R6 PolarHBondContact O-N 2.85Å; V3-Y7 WeakPolarHBondContact O-CB 3.3Å; V3-Y7 PolarHBondContact O-N 3.03Å
4A97.9Very high96.3Very high42 Ų4274.1 Ų74.135%0.34737%0.369SS..Hα-helixtrans-65.1-41.5179.500000111.7M1 A2 Y7 A8 L110M1-A4 WeakPolarHBondContact O-CB 3.17Å; M1-A4 PolarHBondContact O-N 3.17Å; M1-A4 HydrophobicContact SD-CB 4.39Å; A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.49Å; A4-Y7 PolarHBondContact O-N 3.43Å; A4-A8 WeakPolarHBondContact O-CB 3.32Å; A4-A8 PolarHBondContact O-N 2.87Å; A4-L110 HydrophobicContact CB-CD1 3.97Å
5A97.8Very high96.2Very high0 Ų076.4 Ų76.40%038%0.383CS..Hα-helixtrans-58.4-51.1173.700000111.2A2 Y7 A8 Q9 V17 I19 F34 L110A2-A5 PolarHBondContact O-N 2.94Å; A5-Y7 VanDerWaalsContact C-N 3.29Å; A5-Y7 PolarHBondContact O-N 2.88Å; A5-A8 PolarHBondContact O-N 3.47Å; A5-Q9 VanDerWaalsContact O-CG 3.29Å; A5-Q9 WeakPolarHBondContact O-CG 3.41Å; A5-Q9 PolarHBondContact O-N 3.21Å; A5-V17 HydrophobicContact CB-CB 4.46Å; A5-V17 HydrophobicContact CB-CG1 3.96Å; A5-I19 HydrophobicContact CB-CD1 4.04Å; A5-F34 HydrophobicContact CB-CZ 3.93Å; A5-L110 HydrophobicContact CB-CD1 3.85Å
6R97.7Very high96.3Very high81 Ų8175.9 Ų75.931%0.30638%0.375SS..Hα-helixtrans-63-33.2177.1-68.6-56.9-170.9-164.8-2.7113.3A2 V3 K10 F34 D37A2-R6 PolarHBondContact O-N 2.85Å; V3-R6 PolarHBondContact O-N 2.85Å; R6-K10 WeakPolarHBondContact O-CB 3.43Å; R6-K10 VanDerWaalsContact O-CG 3.29Å; R6-K10 WeakPolarHBondContact O-CG 3.47Å; R6-K10 PolarHBondContact O-N 2.83Å; R6-K10 VanDerWaalsContact O-N 3.14Å; R6-F34 HydrophobicContact CG-CE1 4.21Å; R6-F34 HydrophobicContact CG-CZ 4.25Å; R6-D37 IonicContact CZ-OD2 3.91Å; R6-D37 IonicContact NH1-OD2 3.54Å; R6-D37 PolarHBondContact NH1-OD2 3.36Å; R6-D37 IonicContact NH2-OD2 3.44Å; R6-D37 PolarHBondContact NH2-OD2 3.08Å
7Y97.9Very high96.4Very high127 Ų12771.5 Ų71.550%0.49835%0.353SS..Hα-helixtrans-67.6-48.9175.1-175.3-85.5000111V3 A4 A5 Q9 K10 R11 H12V3-Y7 WeakPolarHBondContact O-CB 3.3Å; V3-Y7 PolarHBondContact O-N 3.03Å; A4-Y7 PolarHBondContact O-N 3.43Å; A5-Y7 VanDerWaalsContact C-N 3.29Å; A5-Y7 PolarHBondContact O-N 2.88Å; Y7-Q9 PolarHBondContact O-N 3.47Å; Y7-K10 PolarHBondContact O-N 3.34Å; Y7-R11 HydrophobicContact CD1-CB 4.26Å; Y7-R11 HydrophobicContact CD1-CG 4.16Å; Y7-R11 HydrophobicContact CD2-CG 4.07Å; Y7-R11 HydrophobicContact CE1-CB 3.96Å; Y7-R11 HydrophobicContact CE1-CG 3.87Å; Y7-R11 HydrophobicContact CE2-CG 3.79Å; Y7-R11 HydrophobicContact CG-CG 4.24Å; Y7-R11 VanDerWaalsContact O-CB 3.29Å; Y7-R11 WeakPolarHBondContact O-CB 3.31Å; Y7-R11 WeakPolarHBondContact O-CG 3.48Å; Y7-R11 PolarHBondContact O-N 3.03Å; Y7-H12 AromaticContact CE1-NE2 3.7Å
8A97.5Very high96.6Very high8 Ų867.5 Ų67.57%0.06633%0.334CS..Hα-helixtrans-57-47.7177.200000112A4 A5 K10 H12 A13 V14 L108A4-A8 WeakPolarHBondContact O-CB 3.32Å; A4-A8 PolarHBondContact O-N 2.87Å; A5-A8 PolarHBondContact O-N 3.47Å; A8-K10 PolarHBondContact O-N 3.46Å; A8-H12 CarbonylContact O-C 3.41Å; A8-H12 WeakPolarHBondContact O-CA 3.25Å; A8-H12 WeakPolarHBondContact O-CB 3.28Å; A8-H12 PolarHBondContact O-N 3.14Å; A8-A13 PolarHBondContact O-N 2.93Å; A8-V14 HydrophobicContact CB-CB 4.29Å; A8-V14 HydrophobicContact CB-CG2 4.07Å; A8-L108 HydrophobicContact CB-CD2 3.56Å
9Q96.9Very high96.7Very high33 Ų3363.9 Ų63.915%0.15432%0.316CS..Hα-helixtrans-57-48.2175.1-67.4-179.9-30.900112.2A5 Y7 A13 V14 V17 S39A5-Q9 VanDerWaalsContact O-CG 3.29Å; A5-Q9 WeakPolarHBondContact O-CG 3.41Å; A5-Q9 PolarHBondContact O-N 3.21Å; Y7-Q9 PolarHBondContact O-N 3.47Å; Q9-A13 PolarHBondContact O-N 2.98Å; Q9-V14 WeakPolarHBondContact CA-O 3.25Å; Q9-V14 WeakPolarHBondContact CG-O 3.44Å; Q9-V17 HydrophobicContact CG-CG2 4.2Å; Q9-S39 PolarHBondContact NE2-OG 3.27Å
10K96.1Very high96.8Very high176 Ų17660.8 Ų60.877%0.76530%0.3SS*.Hα-helixtrans-76.6-29.5-175.5-73.5178.9179.4-178.30115R6 Y7 A8R6-K10 WeakPolarHBondContact O-CB 3.43Å; R6-K10 VanDerWaalsContact O-CG 3.29Å; R6-K10 WeakPolarHBondContact O-CG 3.47Å; R6-K10 PolarHBondContact O-N 2.83Å; R6-K10 VanDerWaalsContact O-N 3.14Å; Y7-K10 PolarHBondContact O-N 3.34Å; A8-K10 PolarHBondContact O-N 3.46Å
11R97.3Very high96.9Very high177 Ų17758.1 Ų58.167%0.66829%0.287SS*.Hα-helixtrans-107.1-25.5-170.8-66.6-68.6-163.41574.5113.9Y7Y7-R11 HydrophobicContact CD1-CB 4.26Å; Y7-R11 HydrophobicContact CD1-CG 4.16Å; Y7-R11 HydrophobicContact CD2-CG 4.07Å; Y7-R11 HydrophobicContact CE1-CB 3.96Å; Y7-R11 HydrophobicContact CE1-CG 3.87Å; Y7-R11 HydrophobicContact CE2-CG 3.79Å; Y7-R11 HydrophobicContact CG-CG 4.24Å; Y7-R11 VanDerWaalsContact O-CB 3.29Å; Y7-R11 WeakPolarHBondContact O-CB 3.31Å; Y7-R11 WeakPolarHBondContact O-CG 3.48Å; Y7-R11 PolarHBondContact O-N 3.03Å
12H94.3Very high97.2Very high128 Ų12856.5 Ų56.559%0.59328%0.279SS*.Hα-helixtrans-126.711.5-172.6-58-81.6000113Y7 A8 V14Y7-H12 AromaticContact CE1-NE2 3.7Å; A8-H12 CarbonylContact O-C 3.41Å; A8-H12 WeakPolarHBondContact O-CA 3.25Å; A8-H12 WeakPolarHBondContact O-CB 3.28Å; A8-H12 PolarHBondContact O-N 3.14Å; H12-V14 HydrophobicContact CB-CG2 4.12Å; H12-V14 PolarHBondContact O-N 2.91Å; H12-V14 VanDerWaalsContact O-N 3.11Å
13A90.8Very high97.3Very high75 Ų7556.5 Ų56.562%0.6228%0.278SS*.  trans5330.9178.100000114.5A8 Q9 N15A8-A13 PolarHBondContact O-N 2.93Å; Q9-A13 PolarHBondContact O-N 2.98Å; A13-N15 PolarHBondContact O-N 3.04Å
14V96.2Very high97.3Very high22 Ų2250.7 Ų50.713%0.13324%0.242CC..  trans-70.2122.4173.9-177.60000108.3A8 Q9 H12 V17 Q107 L108A8-V14 HydrophobicContact CB-CB 4.29Å; A8-V14 HydrophobicContact CB-CG2 4.07Å; Q9-V14 WeakPolarHBondContact CA-O 3.25Å; Q9-V14 WeakPolarHBondContact CG-O 3.44Å; H12-V14 HydrophobicContact CB-CG2 4.12Å; H12-V14 PolarHBondContact O-N 2.91Å; H12-V14 VanDerWaalsContact O-N 3.11Å; V14-V17 HydrophobicContact CG1-CG2 3.66Å; V14-Q107 HydrophobicContact CG1-CB 3.98Å; V14-L108 HydrophobicContact CG1-CB 4.08Å
15N95.3Very high97.3Very high108 Ų10849.8 Ų49.858%0.57823%0.231SC*.  trans-96-29.5-176.9-65.9-40.2000113A13 S39A13-N15 PolarHBondContact O-N 3.04Å; N15-S39 VanDerWaalsContact O-CB 3.28Å; N15-S39 WeakPolarHBondContact O-CB 3.37Å
16R97.9Very high97.3Very high69 Ų6950 Ų5026%0.2623%0.232SC..  trans-129.8115.1-179-62.9-171.8-54.6-90.8-2.9110.5S39 F104 Q105 Q107R16-S39 WeakPolarHBondContact CA-O 3.32Å; R16-F104 HydrophobicContact CB-CE1 3.85Å; R16-F104 HydrophobicContact CB-CZ 3.84Å; R16-F104 WeakPolarHBondContact CD-O 3.48Å; R16-F104 HydrophobicContact CG-CE2 4.47Å; R16-F104 HydrophobicContact CG-CZ 4.21Å; R16-F104 PolarHBondContact NE-O 3.39Å; R16-Q105 VanDerWaalsContact CZ-O 3.24Å; R16-Q105 PolarHBondContact NE-O 3.48Å; R16-Q105 PolarHBondContact NH2-O 2.66Å; R16-Q107 PolarHBondContact O-N 3.35Å
17V98.8Very high97.4Very high0 Ų046.8 Ų46.80%022%0.224CC..EExtended strand (participates in β ladder)trans-114.6128.2177.4-176.30000108.9A5 Q9 V14 I19 S39 V40 L41 F104 L110A5-V17 HydrophobicContact CB-CB 4.46Å; A5-V17 HydrophobicContact CB-CG1 3.96Å; Q9-V17 HydrophobicContact CG-CG2 4.2Å; V14-V17 HydrophobicContact CG1-CG2 3.66Å; V17-I19 HydrophobicContact CG1-CG1 4.25Å; V17-S39 PolarHBondContact N-O 3.4Å; V17-V40 HydrophobicContact CB-CG2 4.36Å; V17-V40 WeakPolarHBondContact O-CA 3.27Å; V17-L41 PolarHBondContact O-N 2.89Å; V17-F104 WeakPolarHBondContact O-CE1 3.19Å; V17-L110 HydrophobicContact CG1-CD1 3.95Å; V17-L110 HydrophobicContact CG1-CG 4.09Å
18L98.9Very high97.4Very high0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-93.1129.4165.3170.361.7000108.2V20 L41 L97 A101 P106 L108 V109 L110 L143L18-V20 HydrophobicContact CD1-CG2 4.07Å; L18-V20 HydrophobicContact CD2-CG2 3.78Å; L18-V20 HydrophobicContact CG-CG2 3.74Å; L18-L41 HydrophobicContact CD1-CB 4.13Å; L18-L41 HydrophobicContact CD1-CD2 3.8Å; L18-L41 HydrophobicContact CD1-CG 3.74Å; L18-L97 HydrophobicContact CD1-CD1 4.24Å; L18-L97 HydrophobicContact CD2-CD1 4.37Å; L18-A101 HydrophobicContact CD2-CB 3.88Å; L18-P106 HydrophobicContact CB-CB 3.65Å; L18-P106 HydrophobicContact CB-CG 3.9Å; L18-P106 HydrophobicContact CD2-CG 4.31Å; L18-L108 PolarHBondContact N-O 2.93Å; L18-V109 HydrophobicContact CB-CG2 4.41Å; L18-V109 HydrophobicContact CD2-CG1 4.13Å; L18-V109 HydrophobicContact CD2-CG2 4.33Å; L18-V109 HydrophobicContact CG-CG1 4.27Å; L18-V109 WeakPolarHBondContact O-CA 3.28Å; L18-L110 PolarHBondContact O-N 3.14Å; L18-L143 HydrophobicContact CD2-CD1 3.75Å
19I98.9Very high97.4Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-110.2116.9165.5-55.2177.6000107.3M1 A5 V17 I30 F34 V40 L41 Y42 F43 L110M1-I19 HydrophobicContact CB-CG2 4.08Å; A5-I19 HydrophobicContact CB-CD1 4.04Å; V17-I19 HydrophobicContact CG1-CG1 4.25Å; I19-I30 HydrophobicContact CD1-CG2 3.85Å; I19-I30 HydrophobicContact CG2-CD1 4.41Å; I19-I30 HydrophobicContact CG2-CG2 4.32Å; I19-F34 HydrophobicContact CD1-CD2 4.13Å; I19-F34 HydrophobicContact CD1-CE2 3.67Å; I19-F34 HydrophobicContact CD1-CZ 4.31Å; I19-V40 HydrophobicContact CD1-CG1 3.82Å; I19-V40 HydrophobicContact CG1-CG1 4.02Å; I19-L41 PolarHBondContact N-O 2.81Å; I19-Y42 HydrophobicContact CB-CD2 4.07Å; I19-Y42 HydrophobicContact CG2-CD2 3.95Å; I19-Y42 HydrophobicContact CG2-CE2 4.25Å; I19-F43 PolarHBondContact O-N 3.45Å; I19-L110 CarbonylContact C-O 3.55Å; I19-L110 VanDerWaalsContact CA-O 3.31Å; I19-L110 WeakPolarHBondContact CA-O 3.28Å; I19-L110 HydrophobicContact CG1-CB 4.34Å; I19-L110 HydrophobicContact CG1-CD1 4.43Å
20V98.9Very high97.5Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-100.7131.8171.8-173.80000108L18 F43 F93 L97 V109 L110 V111 S112 L140L18-V20 HydrophobicContact CD1-CG2 4.07Å; L18-V20 HydrophobicContact CD2-CG2 3.78Å; L18-V20 HydrophobicContact CG-CG2 3.74Å; V20-F43 CarbonylContact C-O 3.51Å; V20-F43 HydrophobicContact CG1-CD1 3.96Å; V20-F93 HydrophobicContact CG1-CZ 3.99Å; V20-L97 HydrophobicContact CG1-CD2 3.79Å; V20-L97 HydrophobicContact CG2-CD1 4.44Å; V20-L97 HydrophobicContact CG2-CD2 4.02Å; V20-V109 HydrophobicContact CG2-CG1 4.24Å; V20-L110 PolarHBondContact N-O 2.97Å; V20-V111 HydrophobicContact CB-CG2 4.43Å; V20-V111 CarbonylContact O-C 3.6Å; V20-V111 VanDerWaalsContact O-CA 3.26Å; V20-V111 WeakPolarHBondContact O-CA 3.37Å; V20-S112 PolarHBondContact O-N 2.97Å; V20-L140 HydrophobicContact CB-CD1 4.18Å; V20-L140 HydrophobicContact CG1-CD1 4.19Å; V20-L140 HydrophobicContact CG2-CD1 3.96Å; V20-L140 HydrophobicContact CG2-CD2 3.88Å
21D98.9Very high97.6Very high5 Ų534.9 Ų34.93%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-127103.3-178.3-160.1-6.1000107.7D23 Y42 F43 S44 V45 S112D21-D23 WeakPolarHBondContact OD1-CB 3.32Å; D21-Y42 HydrophobicContact CB-CE2 3.67Å; D21-Y42 PolarHBondContact OD2-OH 2.92Å; D21-F43 VanDerWaalsContact CB-O 3.3Å; D21-F43 WeakPolarHBondContact CB-O 3.17Å; D21-F43 PolarHBondContact N-O 3.38Å; D21-S44 WeakPolarHBondContact O-CA 3.33Å; D21-V45 PolarHBondContact O-N 3.09Å; D21-S112 WeakPolarHBondContact OD1-CB 3.43Å
22W98.5Very high97.6Very high0 Ų031.1 Ų31.10%017%0.171CC..  trans-104.44.7179.369.841.1000112.2V45 F93 V111 S112 A113 G114 F115 F133 L136 T137 L140 L150W22-V45 HydrophobicContact CB-CG1 4.22Å; W22-F93 HydrophobicContact CE3-CZ 4.24Å; W22-V111 HydrophobicContact CD2-CG1 3.88Å; W22-V111 HydrophobicContact CE3-CG1 3.83Å; W22-V111 HydrophobicContact CH2-CG1 3.95Å; W22-V111 HydrophobicContact CZ2-CG1 4.01Å; W22-V111 HydrophobicContact CZ3-CG1 3.87Å; W22-S112 PolarHBondContact N-O 3.18Å; W22-A113 HydrophobicContact CZ2-CB 3.93Å; W22-G114 PolarHBondContact NE1-O 3.17Å; W22-F115 HydrophobicContact CZ2-CE1 4.28Å; W22-F115 HydrophobicContact CZ2-CZ 4.36Å; W22-F133 AromaticContact CD1-CE1 3.79Å; W22-F133 HydrophobicContact CD2-CD1 4.07Å; W22-F133 HydrophobicContact CD2-CE1 4.38Å; W22-F133 AromaticContact CE2-CD1 3.61Å; W22-F133 HydrophobicContact CG-CD1 4.42Å; W22-F133 HydrophobicContact CG-CE1 4.25Å; W22-F133 HydrophobicContact CZ2-CB 4.43Å; W22-F133 AromaticContact CZ2-CD1 3.88Å; W22-F133 HydrophobicContact CZ2-CD1 3.88Å; W22-F133 AromaticContact NE1-CD1 3.63Å; W22-F133 AromaticContact NE1-CE1 3.64Å; W22-L136 HydrophobicContact CE3-CB 3.98Å; W22-L136 HydrophobicContact CE3-CD1 4.16Å; W22-L136 HydrophobicContact CZ3-CB 3.72Å; W22-T137 WeakPolarHBondContact CH2-OG1 3.47Å; W22-L140 HydrophobicContact CZ3-CD1 4.35Å; W22-L150 HydrophobicContact CH2-CD2 4.24Å; W22-L150 HydrophobicContact CZ2-CD2 4.42Å
23D98.4Very high97.8Very high13 Ų1330.2 Ų30.27%0.0717%0.17CC..SBendtrans-55.7140.8168.6-168.4-70.5000109.2D21 H25 V45 G114 G154D21-D23 WeakPolarHBondContact OD1-CB 3.32Å; D23-H25 PolarHBondContact O-N 3.2Å; D23-H25 VanDerWaalsContact O-N 3.1Å; D23-H25 WeakPolarHBondContact OD1-CB 3.4Å; D23-H25 IonicContact OD1-CG 3.74Å; D23-H25 PolarHBondContact OD1-N 2.93Å; D23-H25 IonicContact OD1-ND1 2.99Å; D23-H25 PolarHBondContact OD1-ND1 3.35Å; D23-V45 VanDerWaalsContact O-O 3.12Å; D23-G114 WeakPolarHBondContact OD2-CA 3.38Å; D23-G154 VanDerWaalsContact OD2-CA 3.23Å; D23-G154 WeakPolarHBondContact OD2-CA 3.5Å; D23-G154 PolarHBondContact OD2-N 2.96Å
24V97.9Very high98.1Very high0 Ų026.9 Ų26.90%014%0.141CC..SBendtrans-69.4-10.3-175.685.50000112.5H46 R47 D116 A117 M126V24-H46 CarbonylContact O-C 3.5Å; V24-H46 WeakPolarHBondContact O-CA 3.46Å; V24-H46 WeakPolarHBondContact O-CB 3.42Å; V24-R47 HydrophobicContact CG2-CB 3.96Å; V24-R47 PolarHBondContact O-N 3.38Å; V24-D116 HydrophobicContact CB-CB 4.49Å; V24-D116 WeakPolarHBondContact CB-OD1 3.44Å; V24-D116 HydrophobicContact CG1-CB 3.83Å; V24-D116 WeakPolarHBondContact CG1-OD1 3.41Å; V24-D116 PolarHBondContact N-OD1 3.35Å; V24-A117 HydrophobicContact CB-CB 4.28Å; V24-A117 HydrophobicContact CG2-CB 4.38Å; V24-M126 HydrophobicContact CG2-CE 4.01Å; V24-M126 HydrophobicContact CG2-CG 3.81Å
25H98.6Very high98.2Very high24 Ų2428.3 Ų28.311%0.11115%0.147CC..SBendtrans-102143.9173.4-50.686000111.4D23 G27 F53 W54 D116D23-H25 PolarHBondContact O-N 3.2Å; D23-H25 VanDerWaalsContact O-N 3.1Å; D23-H25 WeakPolarHBondContact OD1-CB 3.4Å; D23-H25 IonicContact OD1-CG 3.74Å; D23-H25 PolarHBondContact OD1-N 2.93Å; D23-H25 IonicContact OD1-ND1 2.99Å; D23-H25 PolarHBondContact OD1-ND1 3.35Å; H25-G27 PolarHBondContact O-N 2.88Å; H25-F53 AromaticContact CD2-CE1 3.41Å; H25-F53 VanDerWaalsContact CD2-CE1 3.41Å; H25-F53 WeakPolarHBondContact CD2-CE1 3.31Å; H25-F53 AromaticContact CD2-CZ 3.76Å; H25-F53 AromaticContact NE2-CE1 3.71Å; H25-F53 AromaticContact NE2-CZ 3.55Å; H25-W54 HydrophobicContact CB-CE3 4.21Å; H25-W54 HydrophobicContact CB-CZ3 4.04Å; H25-W54 AromaticContact CD2-CE3 3.71Å; H25-D116 IonicContact CE1-OD2 3.19Å; H25-D116 PolarHBondContact CE1-OD2 3.04Å; H25-D116 IonicContact ND1-OD2 2.72Å; H25-D116 PolarHBondContact ND1-OD2 2.94Å
26H98.5Very high98.2Very high3 Ų329 Ų291%0.01415%0.146CC..  trans-66.6119.4173.3179-138.7000111.3Q28 Q31 H46 E59 S60H26-Q28 PolarHBondContact O-N 3.04Å; H26-Q31 PolarHBondContact NE2-NE2 2.81Å; H26-Q31 PolarHBondContact NE2-OE1 3.16Å; H26-H46 HydrophobicContact CB-CB 4.4Å; H26-H46 AromaticContact CD2-CE1 3.77Å; H26-H46 AromaticContact CD2-ND1 3.82Å; H26-H46 AromaticContact CG-CE1 3.81Å; H26-H46 AromaticContact CG-ND1 3.98Å; H26-E59 PolarHBondContact NE2-O 2.88Å; H26-E59 VanDerWaalsContact NE2-O 3.14Å; H26-S60 WeakPolarHBondContact CE1-CA 3.32Å; H26-S60 WeakPolarHBondContact CE1-CB 3.45Å; H26-S60 PolarHBondContact CE1-OG 3.19Å; H26-S60 WeakPolarHBondContact ND1-CB 3.48Å; H26-S60 PolarHBondContact ND1-OG 3.32Å
27G98.1Very high98.2Very high15 Ų1526.6 Ų26.616%0.15514%0.139CC..  trans-72.354.4173.400000113.9H25 G29 I30 Q31 Y42H25-G27 PolarHBondContact O-N 2.88Å; G27-G29 PolarHBondContact O-N 3.27Å; G27-I30 WeakPolarHBondContact O-CA 3.37Å; G27-I30 WeakPolarHBondContact O-CB 3.34Å; G27-I30 PolarHBondContact O-N 3.19Å; G27-Q31 PolarHBondContact O-N 3.1Å; G27-Y42 WeakPolarHBondContact CA-OH 3.47Å; G27-Y42 PolarHBondContact N-OH 2.98Å; G27-Y42 PolarHBondContact O-OH 3.35Å
28Q98.1Very high98.1Very high44 Ų4428.7 Ų28.721%0.20615%0.153CC..Hα-helixtrans-47.6-34.5-177.977.7-65.780.800114.2H26 I30 Q31 Y32 L57H26-Q28 PolarHBondContact O-N 3.04Å; Q28-I30 VanDerWaalsContact C-N 3.3Å; Q28-I30 PolarHBondContact O-N 3.41Å; Q28-Q31 WeakPolarHBondContact O-CB 3.44Å; Q28-Q31 PolarHBondContact O-N 3.17Å; Q28-Y32 HydrophobicContact CB-CE2 4.09Å; Q28-Y32 HydrophobicContact CG-CE2 3.86Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.41Å; Q28-Y32 PolarHBondContact O-N 3.15Å; Q28-L57 HydrophobicContact CB-CD1 3.74Å; Q28-L57 HydrophobicContact CG-CD1 3.69Å
29G98.3Very high98Very high35 Ų3530 Ų3036%0.36116%0.163SC..Hα-helixtrans-63.9-29.8175.600000114.3G27 L33G27-G29 PolarHBondContact O-N 3.27Å; G29-L33 WeakPolarHBondContact O-CD1 3.39Å; G29-L33 WeakPolarHBondContact O-CG 3.25Å
30I98.4Very high98Very high14 Ų1430.1 Ų30.17%0.07216%0.163CC..Hα-helixtrans-74.9-48.1171.9-58.4178000109.2M1 A2 I19 G27 Q28 Y32 L33 F34 Y42M1-I30 HydrophobicContact CB-CD1 4.14Å; A2-I30 HydrophobicContact CB-CG1 4.44Å; I19-I30 HydrophobicContact CD1-CG2 3.85Å; I19-I30 HydrophobicContact CG2-CD1 4.41Å; I19-I30 HydrophobicContact CG2-CG2 4.32Å; G27-I30 WeakPolarHBondContact O-CA 3.37Å; G27-I30 WeakPolarHBondContact O-CB 3.34Å; G27-I30 PolarHBondContact O-N 3.19Å; Q28-I30 VanDerWaalsContact C-N 3.3Å; Q28-I30 PolarHBondContact O-N 3.41Å; I30-Y32 PolarHBondContact O-N 2.72Å; I30-L33 PolarHBondContact O-N 2.93Å; I30-L33 VanDerWaalsContact O-N 3.14Å; I30-F34 HydrophobicContact CG2-CD2 3.82Å; I30-F34 HydrophobicContact CG2-CE2 4Å; I30-F34 VanDerWaalsContact O-CD2 3.27Å; I30-F34 WeakPolarHBondContact O-CD2 3.35Å; I30-F34 PolarHBondContact O-N 2.86Å; I30-Y42 HydrophobicContact CB-CD2 4.21Å; I30-Y42 HydrophobicContact CB-CE2 3.81Å; I30-Y42 HydrophobicContact CD1-CE2 4.16Å; I30-Y42 HydrophobicContact CG2-CD2 3.48Å; I30-Y42 VanDerWaalsContact CG2-CD2 3.48Å; I30-Y42 HydrophobicContact CG2-CE2 3.57Å; I30-Y42 HydrophobicContact CG2-CG 4.08Å
31Q98.4Very high98Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-50.4-55.7175.9175.7169.9-69.400111.6H26 G27 Q28 L33 F34 Q35 Y42 E59 F64 T74 N76H26-Q31 PolarHBondContact NE2-NE2 2.81Å; H26-Q31 PolarHBondContact NE2-OE1 3.16Å; G27-Q31 PolarHBondContact O-N 3.1Å; Q28-Q31 WeakPolarHBondContact O-CB 3.44Å; Q28-Q31 PolarHBondContact O-N 3.17Å; Q31-L33 PolarHBondContact O-N 2.89Å; Q31-L33 VanDerWaalsContact O-N 3.14Å; Q31-F34 PolarHBondContact O-N 2.87Å; Q31-F34 VanDerWaalsContact O-N 3.07Å; Q31-Q35 WeakPolarHBondContact O-CB 3.39Å; Q31-Q35 PolarHBondContact O-N 3.23Å; Q31-Y42 HydrophobicContact CB-CD1 4.05Å; Q31-Y42 HydrophobicContact CB-CE1 3.9Å; Q31-E59 PolarHBondContact NE2-O 2.73Å; Q31-E59 PolarHBondContact OE1-O 3.05Å; Q31-F64 VanDerWaalsContact CD-CD1 3.48Å; Q31-F64 HydrophobicContact CG-CD1 4.22Å; Q31-F64 HydrophobicContact CG-CE1 3.73Å; Q31-F64 VanDerWaalsContact NE2-CD1 3.32Å; Q31-T74 HydrophobicContact CG-CG2 4.01Å; Q31-N76 PolarHBondContact OE1-ND2 2.59Å; Q31-N76 PolarHBondContact OE1-OD1 2.7Å
32Y98.3Very high98Very high98 Ų9829.9 Ų29.938%0.38416%0.162SC..Hα-helixtrans-59.2-29.5-177.8-60-38.4000113.9Q28 I30 L57 E59Q28-Y32 HydrophobicContact CB-CE2 4.09Å; Q28-Y32 HydrophobicContact CG-CE2 3.86Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.41Å; Q28-Y32 PolarHBondContact O-N 3.15Å; I30-Y32 PolarHBondContact O-N 2.72Å; Y32-L57 WeakPolarHBondContact OH-CD1 3.31Å; Y32-E59 HydrophobicContact CE1-CG 4.03Å; Y32-E59 PolarHBondContact OH-OE1 3.35Å
33L97.9Very high98Very high110 Ų11029.9 Ų29.958%0.57616%0.162SC*.Hα-helixtrans-79-17.8179.9-75.9172.7000114.1A2 G29 I30 Q31A2-L33 HydrophobicContact CB-CD1 3.63Å; G29-L33 WeakPolarHBondContact O-CD1 3.39Å; G29-L33 WeakPolarHBondContact O-CG 3.25Å; I30-L33 PolarHBondContact O-N 2.93Å; I30-L33 VanDerWaalsContact O-N 3.14Å; Q31-L33 PolarHBondContact O-N 2.89Å; Q31-L33 VanDerWaalsContact O-N 3.14Å
34F97.9Very high98Very high4 Ų429.3 Ų29.32%0.01816%0.158CC..Hα-helixtrans-126.9-3.6-174.8-60.5-66.3000114.7A2 A5 R6 I19 I30 Q31 E36 D37 V40A2-F34 HydrophobicContact CB-CE2 3.56Å; A2-F34 HydrophobicContact CB-CZ 3.99Å; A5-F34 HydrophobicContact CB-CZ 3.93Å; R6-F34 HydrophobicContact CG-CE1 4.21Å; R6-F34 HydrophobicContact CG-CZ 4.25Å; I19-F34 HydrophobicContact CD1-CD2 4.13Å; I19-F34 HydrophobicContact CD1-CE2 3.67Å; I19-F34 HydrophobicContact CD1-CZ 4.31Å; I30-F34 HydrophobicContact CG2-CD2 3.82Å; I30-F34 HydrophobicContact CG2-CE2 4Å; I30-F34 VanDerWaalsContact O-CD2 3.27Å; I30-F34 WeakPolarHBondContact O-CD2 3.35Å; I30-F34 PolarHBondContact O-N 2.86Å; Q31-F34 PolarHBondContact O-N 2.87Å; Q31-F34 VanDerWaalsContact O-N 3.07Å; F34-E36 PolarHBondContact O-N 2.88Å; F34-D37 HydrophobicContact CD1-CB 4.44Å; F34-D37 PolarHBondContact O-N 2.83Å; F34-V40 HydrophobicContact CB-CB 4.16Å; F34-V40 HydrophobicContact CB-CG1 4.24Å; F34-V40 HydrophobicContact CD1-CB 3.67Å; F34-V40 HydrophobicContact CD1-CG1 3.97Å; F34-V40 HydrophobicContact CD1-CG2 3.51Å; F34-V40 HydrophobicContact CD2-CG1 4.03Å; F34-V40 HydrophobicContact CE1-CB 4.19Å; F34-V40 HydrophobicContact CE1-CG1 4.31Å; F34-V40 HydrophobicContact CE1-CG2 3.58Å; F34-V40 HydrophobicContact CE2-CG1 4.38Å; F34-V40 HydrophobicContact CG-CB 3.91Å; F34-V40 HydrophobicContact CG-CG1 3.82Å; F34-V40 HydrophobicContact CG-CG2 4.23Å; F34-V40 HydrophobicContact CZ-CG2 4.37Å
35Q96.5Very high98.1Very high53 Ų5329.3 Ų29.325%0.24816%0.159CC..THydrogen-bonded Turntrans-54.8-21.8-178.765.4-174.921.100115.4Q31 F64 S67Q31-Q35 WeakPolarHBondContact O-CB 3.39Å; Q31-Q35 PolarHBondContact O-N 3.23Å; Q35-F64 HydrophobicContact CB-CE1 4.23Å; Q35-F64 HydrophobicContact CB-CZ 4.03Å; Q35-S67 PolarHBondContact O-N 2.89Å; Q35-S67 PolarHBondContact O-OG 2.91Å
36E96.7Very high98.1Very high123 Ų12328.2 Ų28.258%0.57515%0.154SC*.THydrogen-bonded Turntrans-111.810.8174.8-69.4-176.5-179.200113.7F34 S67 R69 A70F34-E36 PolarHBondContact O-N 2.88Å; E36-S67 WeakPolarHBondContact CG-OG 3.38Å; E36-R69 WeakPolarHBondContact O-CG 3.37Å; E36-R69 PolarHBondContact O-NE 3.1Å; E36-A70 VanDerWaalsContact C-CB 3.42Å
37D97.2Very high98.1Very high18 Ų1829 Ų2910%0.09616%0.157CC..  trans-117100.9-175.2-161.3-17.8000114.3R6 F34 S39 V40 R69 A70R6-D37 IonicContact CZ-OD2 3.91Å; R6-D37 IonicContact NH1-OD2 3.54Å; R6-D37 PolarHBondContact NH1-OD2 3.36Å; R6-D37 IonicContact NH2-OD2 3.44Å; R6-D37 PolarHBondContact NH2-OD2 3.08Å; F34-D37 HydrophobicContact CD1-CB 4.44Å; F34-D37 PolarHBondContact O-N 2.83Å; D37-S39 PolarHBondContact O-N 2.86Å; D37-S39 VanDerWaalsContact O-N 3.1Å; D37-S39 WeakPolarHBondContact OD1-CB 3.06Å; D37-S39 PolarHBondContact OD1-N 2.98Å; D37-S39 PolarHBondContact OD1-OG 3.09Å; D37-S39 PolarHBondContact OD2-OG 3.44Å; D37-V40 PolarHBondContact O-N 3.33Å; D37-R69 IonicContact OD1-NH2 3.74Å; D37-A70 VanDerWaalsContact N-CB 3.3Å
38S96.4Very high98.1Very high44 Ų4429.4 Ų29.431%0.30815%0.153SC..THydrogen-bonded Turntrans-70.3-3.9-179.953.90000115.4V40 R69S38-V40 VanDerWaalsContact C-N 3.32Å; S38-R69 WeakPolarHBondContact CB-O 3.35Å
39S97.6Very high98.1Very high28 Ų2830.5 Ų30.520%0.19616%0.158CC..THydrogen-bonded Turntrans-81.1-1017266.90000113.8Q9 N15 R16 V17 D37Q9-S39 PolarHBondContact NE2-OG 3.27Å; N15-S39 VanDerWaalsContact O-CB 3.28Å; N15-S39 WeakPolarHBondContact O-CB 3.37Å; R16-S39 WeakPolarHBondContact CA-O 3.32Å; V17-S39 PolarHBondContact N-O 3.4Å; D37-S39 PolarHBondContact O-N 2.86Å; D37-S39 VanDerWaalsContact O-N 3.1Å; D37-S39 WeakPolarHBondContact OD1-CB 3.06Å; D37-S39 PolarHBondContact OD1-N 2.98Å; D37-S39 PolarHBondContact OD1-OG 3.09Å; D37-S39 PolarHBondContact OD2-OG 3.44Å
40V98.5Very high98Very high1 Ų131.6 Ų31.61%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-126.1126177.6-1770000109.6V17 I19 F34 D37 S38V17-V40 HydrophobicContact CB-CG2 4.36Å; V17-V40 WeakPolarHBondContact O-CA 3.27Å; I19-V40 HydrophobicContact CD1-CG1 3.82Å; I19-V40 HydrophobicContact CG1-CG1 4.02Å; F34-V40 HydrophobicContact CB-CB 4.16Å; F34-V40 HydrophobicContact CB-CG1 4.24Å; F34-V40 HydrophobicContact CD1-CB 3.67Å; F34-V40 HydrophobicContact CD1-CG1 3.97Å; F34-V40 HydrophobicContact CD1-CG2 3.51Å; F34-V40 HydrophobicContact CD2-CG1 4.03Å; F34-V40 HydrophobicContact CE1-CB 4.19Å; F34-V40 HydrophobicContact CE1-CG1 4.31Å; F34-V40 HydrophobicContact CE1-CG2 3.58Å; F34-V40 HydrophobicContact CE2-CG1 4.38Å; F34-V40 HydrophobicContact CG-CB 3.91Å; F34-V40 HydrophobicContact CG-CG1 3.82Å; F34-V40 HydrophobicContact CG-CG2 4.23Å; F34-V40 HydrophobicContact CZ-CG2 4.37Å; D37-V40 PolarHBondContact O-N 3.33Å; S38-V40 VanDerWaalsContact C-N 3.32Å
41L98.8Very high98Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-95.8123167.7175.158.8000107.5V17 L18 I19 R73 I75 V100 F104 W205V17-L41 PolarHBondContact O-N 2.89Å; L18-L41 HydrophobicContact CD1-CB 4.13Å; L18-L41 HydrophobicContact CD1-CD2 3.8Å; L18-L41 HydrophobicContact CD1-CG 3.74Å; I19-L41 PolarHBondContact N-O 2.81Å; L41-R73 WeakPolarHBondContact CD1-O 3.48Å; L41-I75 HydrophobicContact CD1-CD1 3.94Å; L41-I75 HydrophobicContact CD1-CG1 4.24Å; L41-V100 HydrophobicContact CD1-CG1 4.38Å; L41-V100 HydrophobicContact CD2-CG1 3.86Å; L41-F104 HydrophobicContact CB-CD1 3.69Å; L41-F104 HydrophobicContact CB-CD2 4.19Å; L41-F104 HydrophobicContact CB-CE1 3.52Å; L41-F104 HydrophobicContact CB-CE2 4.04Å; L41-F104 HydrophobicContact CB-CG 4.03Å; L41-F104 HydrophobicContact CB-CZ 3.7Å; L41-F104 HydrophobicContact CD2-CB 3.77Å; L41-F104 HydrophobicContact CD2-CD1 3.78Å; L41-F104 HydrophobicContact CD2-CD2 4.38Å; L41-F104 HydrophobicContact CD2-CE1 4.48Å; L41-F104 HydrophobicContact CD2-CG 3.72Å; L41-F104 HydrophobicContact CG-CD1 4.41Å; L41-W205 HydrophobicContact CD1-CH2 4.1Å; L41-W205 HydrophobicContact CD1-CZ2 3.76Å; L41-W205 HydrophobicContact CD2-CH2 3.98Å; L41-W205 HydrophobicContact CD2-CZ2 4.41Å
42Y98.8Very high97.9Very high1 Ų135.1 Ų35.10%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-110.1125.7174.4177.5-119.2000109.7I19 D21 G27 I30 Q31 S44 R73 T74 I75I19-Y42 HydrophobicContact CB-CD2 4.07Å; I19-Y42 HydrophobicContact CG2-CD2 3.95Å; I19-Y42 HydrophobicContact CG2-CE2 4.25Å; D21-Y42 HydrophobicContact CB-CE2 3.67Å; D21-Y42 PolarHBondContact OD2-OH 2.92Å; G27-Y42 WeakPolarHBondContact CA-OH 3.47Å; G27-Y42 PolarHBondContact N-OH 2.98Å; G27-Y42 PolarHBondContact O-OH 3.35Å; I30-Y42 HydrophobicContact CB-CD2 4.21Å; I30-Y42 HydrophobicContact CB-CE2 3.81Å; I30-Y42 HydrophobicContact CD1-CE2 4.16Å; I30-Y42 HydrophobicContact CG2-CD2 3.48Å; I30-Y42 VanDerWaalsContact CG2-CD2 3.48Å; I30-Y42 HydrophobicContact CG2-CE2 3.57Å; I30-Y42 HydrophobicContact CG2-CG 4.08Å; Q31-Y42 HydrophobicContact CB-CD1 4.05Å; Q31-Y42 HydrophobicContact CB-CE1 3.9Å; Y42-S44 WeakPolarHBondContact OH-CB 3.36Å; Y42-R73 PolarHBondContact N-O 2.9Å; Y42-T74 HydrophobicContact CD1-CG2 4.29Å; Y42-T74 CarbonylContact O-C 3.54Å; Y42-I75 PolarHBondContact O-N 3.02Å
43F98.9Very high97.9Very high0 Ų031.8 Ų31.80%019%0.191CC..EExtended strand (participates in β ladder)trans-118.7129.9172.1173.4-84.8000109.1I19 V20 D21 V45 I75 L77 F93 V96 L97I19-F43 PolarHBondContact O-N 3.45Å; V20-F43 CarbonylContact C-O 3.51Å; V20-F43 HydrophobicContact CG1-CD1 3.96Å; D21-F43 VanDerWaalsContact CB-O 3.3Å; D21-F43 WeakPolarHBondContact CB-O 3.17Å; D21-F43 PolarHBondContact N-O 3.38Å; F43-V45 HydrophobicContact CE1-CB 3.85Å; F43-V45 HydrophobicContact CE1-CG1 3.71Å; F43-V45 HydrophobicContact CZ-CB 4.07Å; F43-V45 HydrophobicContact CZ-CG1 4.33Å; F43-I75 CarbonylContact C-O 3.39Å; F43-I75 WeakPolarHBondContact CA-O 3.32Å; F43-I75 HydrophobicContact CB-CB 4.38Å; F43-I75 HydrophobicContact CD2-CB 3.87Å; F43-I75 HydrophobicContact CD2-CD1 4.42Å; F43-I75 HydrophobicContact CD2-CG2 3.41Å; F43-I75 VanDerWaalsContact CD2-CG2 3.41Å; F43-I75 HydrophobicContact CE2-CG2 3.82Å; F43-I75 HydrophobicContact CG-CG2 4.43Å; F43-L77 HydrophobicContact CE2-CD1 4.25Å; F43-L77 HydrophobicContact CZ-CD1 4.1Å; F43-F93 HydrophobicContact CE1-CE2 4.16Å; F43-V96 HydrophobicContact CE2-CB 4.48Å; F43-V96 HydrophobicContact CE2-CG1 4.33Å; F43-L97 HydrophobicContact CB-CD1 3.83Å; F43-L97 HydrophobicContact CD1-CD1 4.29Å; F43-L97 HydrophobicContact CD1-CD2 3.93Å; F43-L97 HydrophobicContact CD2-CB 4.09Å; F43-L97 HydrophobicContact CD2-CD1 3.83Å; F43-L97 HydrophobicContact CD2-CG 4.36Å; F43-L97 HydrophobicContact CE1-CD2 4Å; F43-L97 HydrophobicContact CE2-CB 3.88Å; F43-L97 HydrophobicContact CE2-CD1 4.48Å; F43-L97 HydrophobicContact CG-CD1 3.73Å; F43-L97 HydrophobicContact CG-CD2 4.21Å; F43-L97 HydrophobicContact CG-CG 4.38Å; F43-L97 HydrophobicContact CZ-CB 4.15Å; F43-L97 HydrophobicContact CZ-CD2 4.37Å
44S98.9Very high97.9Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-131129.1172.4179.90000111.4D21 Y42 H46 I75 L77D21-S44 WeakPolarHBondContact O-CA 3.33Å; Y42-S44 WeakPolarHBondContact OH-CB 3.36Å; S44-H46 PolarHBondContact OG-ND1 3.31Å; S44-I75 PolarHBondContact N-O 2.84Å; S44-L77 PolarHBondContact O-N 3.36Å
45V98.8Very high97.9Very high1 Ų133.9 Ų33.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-116.4113.6171.455.70000109.1D21 W22 D23 F43 L77 W79 Y89D21-V45 PolarHBondContact O-N 3.09Å; W22-V45 HydrophobicContact CB-CG1 4.22Å; D23-V45 VanDerWaalsContact O-O 3.12Å; F43-V45 HydrophobicContact CE1-CB 3.85Å; F43-V45 HydrophobicContact CE1-CG1 3.71Å; F43-V45 HydrophobicContact CZ-CB 4.07Å; F43-V45 HydrophobicContact CZ-CG1 4.33Å; V45-L77 HydrophobicContact CB-CB 4.26Å; V45-L77 HydrophobicContact CG2-CB 4.38Å; V45-L77 HydrophobicContact CG2-CD2 4.32Å; V45-W79 HydrophobicContact CG2-CD2 4.35Å; V45-W79 VanDerWaalsContact CG2-CE2 3.42Å; V45-W79 HydrophobicContact CG2-CZ2 3.54Å; V45-Y89 HydrophobicContact CG1-CD1 4.17Å; V45-Y89 HydrophobicContact CG1-CE1 3.94Å; V45-Y89 HydrophobicContact CG2-CD1 4.32Å; V45-Y89 HydrophobicContact CG2-CE1 3.98Å
46H98.8Very high98Very high1 Ų136.7 Ų36.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-148.7158.8-164.156.9-102.6000112.6V24 H26 S44 S60 L77 W79V24-H46 CarbonylContact O-C 3.5Å; V24-H46 WeakPolarHBondContact O-CA 3.46Å; V24-H46 WeakPolarHBondContact O-CB 3.42Å; H26-H46 HydrophobicContact CB-CB 4.4Å; H26-H46 AromaticContact CD2-CE1 3.77Å; H26-H46 AromaticContact CD2-ND1 3.82Å; H26-H46 AromaticContact CG-CE1 3.81Å; H26-H46 AromaticContact CG-ND1 3.98Å; S44-H46 PolarHBondContact OG-ND1 3.31Å; H46-S60 PolarHBondContact CE1-O 3.3Å; H46-S60 VanDerWaalsContact CE1-O 3.27Å; H46-S60 PolarHBondContact NE2-O 3.35Å; H46-S60 VanDerWaalsContact NE2-O 3.07Å; H46-L77 PolarHBondContact N-O 3.27Å; H46-W79 WeakPolarHBondContact O-CB 3.21Å; H46-W79 PolarHBondContact O-N 3.46Å
47R98.6Very high98Very high20 Ų2032.8 Ų32.88%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-68.9134.8170.8-177.1177.9170.4-179.56.4110.3V24 E49 F53 K123 G124 E125 M126V24-R47 HydrophobicContact CG2-CB 3.96Å; V24-R47 PolarHBondContact O-N 3.38Å; R47-E49 HydrophobicContact CG-CG 4.3Å; R47-E49 IonicContact CZ-OE2 3.05Å; R47-E49 IonicContact NE-OE2 2.76Å; R47-E49 PolarHBondContact NE-OE2 2.97Å; R47-E49 IonicContact NH2-OE2 2.8Å; R47-E49 PolarHBondContact NH2-OE2 3.11Å; R47-F53 HydrophobicContact CB-CD1 3.61Å; R47-F53 HydrophobicContact CB-CE1 3.8Å; R47-F53 HydrophobicContact CB-CG 4.11Å; R47-F53 HydrophobicContact CB-CZ 4.48Å; R47-F53 VanDerWaalsContact CD-CD2 3.48Å; R47-F53 HydrophobicContact CG-CB 3.94Å; R47-F53 HydrophobicContact CG-CD1 3.65Å; R47-F53 HydrophobicContact CG-CD2 4.01Å; R47-F53 HydrophobicContact CG-CE1 4.08Å; R47-F53 HydrophobicContact CG-CE2 4.43Å; R47-F53 HydrophobicContact CG-CG 3.59Å; R47-F53 HydrophobicContact CG-CZ 4.45Å; R47-F53 VanDerWaalsContact CZ-CD2 3.48Å; R47-F53 WeakPolarHBondContact O-CD1 3.32Å; R47-K123 PolarHBondContact NH1-O 3.32Å; R47-G124 WeakPolarHBondContact CD-O 3.26Å; R47-E125 IonicContact CZ-OE1 2.68Å; R47-E125 VanDerWaalsContact NH1-CD 3.28Å; R47-E125 IonicContact NH1-OE1 2.85Å; R47-E125 PolarHBondContact NH1-OE1 3.31Å; R47-E125 IonicContact NH2-OE1 3.08Å; R47-E125 PolarHBondContact NH2-OE1 3.35Å; R47-E125 VanDerWaalsContact NH2-OE1 3.08Å; R47-E125 IonicContact NH2-OE2 3.97Å; R47-M126 HydrophobicContact CB-CE 3.63Å; R47-M126 HydrophobicContact CG-CE 3.89Å
48Y98.6Very high98Very high22 Ų2239.3 Ų39.39%0.08622%0.219CC..  trans-135.1-46.8-176-175.2-124.3000113.3G50 G51 A52 F53 L57 D61 P78 W79 N80Y48-G50 VanDerWaalsContact C-N 3.28Å; Y48-G50 PolarHBondContact O-N 2.83Å; Y48-G51 VanDerWaalsContact CZ-N 3.29Å; Y48-G51 CarbonylContact O-C 3.35Å; Y48-G51 WeakPolarHBondContact O-CA 3.4Å; Y48-G51 PolarHBondContact O-N 3.18Å; Y48-A52 PolarHBondContact O-N 3.18Å; Y48-F53 PolarHBondContact O-N 2.86Å; Y48-F53 VanDerWaalsContact O-N 3.09Å; Y48-L57 WeakPolarHBondContact CE2-O 3.33Å; Y48-D61 HydrophobicContact CE1-CB 4.02Å; Y48-P78 VanDerWaalsContact CB-CB 3.42Å; Y48-P78 HydrophobicContact CD1-CB 3.5Å; Y48-P78 VanDerWaalsContact CD1-CB 3.5Å; Y48-P78 HydrophobicContact CD1-CG 4.29Å; Y48-P78 HydrophobicContact CE1-CB 4.39Å; Y48-P78 HydrophobicContact CG-CB 3.59Å; Y48-W79 PolarHBondContact N-O 2.74Å; Y48-N80 WeakPolarHBondContact CD1-OD1 3.28Å
49E97.7Very high98.1Very high67 Ų6739.9 Ų39.931%0.31322%0.217SC..G310 helixtrans49.246.3-179.3-60-174.899.400112.9R47 G51 A52 W79R47-E49 HydrophobicContact CG-CG 4.3Å; R47-E49 IonicContact CZ-OE2 3.05Å; R47-E49 IonicContact NE-OE2 2.76Å; R47-E49 PolarHBondContact NE-OE2 2.97Å; R47-E49 IonicContact NH2-OE2 2.8Å; R47-E49 PolarHBondContact NH2-OE2 3.11Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 2.99Å; E49-A52 HydrophobicContact CB-CB 4.17Å; E49-A52 WeakPolarHBondContact O-CB 3.26Å; E49-A52 PolarHBondContact O-N 3Å; E49-W79 PolarHBondContact N-O 3.35Å; E49-W79 VanDerWaalsContact N-O 3.1Å
50G96.8Very high98.1Very high59 Ų5938.6 Ų38.661%0.60821%0.208SC*.G310 helixtrans6528.7-177.400000114.6Y48 A52 N80Y48-G50 VanDerWaalsContact C-N 3.28Å; Y48-G50 PolarHBondContact O-N 2.83Å; G50-A52 VanDerWaalsContact C-N 3.35Å; G50-N80 PolarHBondContact N-OD1 3.49Å
51G97.2Very high98.1Very high18 Ų1840.2 Ų40.219%0.18622%0.217CC..G310 helixtrans85.62.5-174.900000114.3Y48 E49 F53 H56Y48-G51 VanDerWaalsContact CZ-N 3.29Å; Y48-G51 CarbonylContact O-C 3.35Å; Y48-G51 WeakPolarHBondContact O-CA 3.4Å; Y48-G51 PolarHBondContact O-N 3.18Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 2.99Å; G51-F53 VanDerWaalsContact C-N 3.33Å; G51-H56 WeakPolarHBondContact O-CA 3.21Å; G51-H56 PolarHBondContact O-ND1 3.33Å
52A97.6Very high98Very high70 Ų7040.8 Ų40.858%0.57922%0.221SC*.THydrogen-bonded Turntrans-72.4-25.8176.300000112.9Y48 E49 G50 H56Y48-A52 PolarHBondContact O-N 3.18Å; E49-A52 HydrophobicContact CB-CB 4.17Å; E49-A52 WeakPolarHBondContact O-CB 3.26Å; E49-A52 PolarHBondContact O-N 3Å; G50-A52 VanDerWaalsContact C-N 3.35Å; A52-H56 PolarHBondContact O-CE1 3.37Å; A52-H56 PolarHBondContact O-ND1 2.95Å
53F98.2Very high98Very high28 Ų2844.4 Ų44.412%0.12325%0.246CC..SBendtrans-86.2153.2176.5-167.9-110.5000112.6H25 R47 Y48 G51 H56 K123H25-F53 AromaticContact CD2-CE1 3.41Å; H25-F53 VanDerWaalsContact CD2-CE1 3.41Å; H25-F53 WeakPolarHBondContact CD2-CE1 3.31Å; H25-F53 AromaticContact CD2-CZ 3.76Å; H25-F53 AromaticContact NE2-CE1 3.71Å; H25-F53 AromaticContact NE2-CZ 3.55Å; R47-F53 HydrophobicContact CB-CD1 3.61Å; R47-F53 HydrophobicContact CB-CE1 3.8Å; R47-F53 HydrophobicContact CB-CG 4.11Å; R47-F53 HydrophobicContact CB-CZ 4.48Å; R47-F53 VanDerWaalsContact CD-CD2 3.48Å; R47-F53 HydrophobicContact CG-CB 3.94Å; R47-F53 HydrophobicContact CG-CD1 3.65Å; R47-F53 HydrophobicContact CG-CD2 4.01Å; R47-F53 HydrophobicContact CG-CE1 4.08Å; R47-F53 HydrophobicContact CG-CE2 4.43Å; R47-F53 HydrophobicContact CG-CG 3.59Å; R47-F53 HydrophobicContact CG-CZ 4.45Å; R47-F53 VanDerWaalsContact CZ-CD2 3.48Å; R47-F53 WeakPolarHBondContact O-CD1 3.32Å; Y48-F53 PolarHBondContact O-N 2.86Å; Y48-F53 VanDerWaalsContact O-N 3.09Å; G51-F53 VanDerWaalsContact C-N 3.33Å; F53-H56 VanDerWaalsContact C-CE1 3.48Å; F53-H56 WeakPolarHBondContact O-CA 3.44Å; F53-H56 PolarHBondContact O-N 3.35Å; F53-H56 PolarHBondContact O-ND1 2.82Å; F53-H56 VanDerWaalsContact O-ND1 3.15Å; F53-K123 WeakPolarHBondContact CZ-O 3.36Å
54W97.6Very high97.9Very high137 Ų13746.8 Ų46.852%0.51926%0.256SS..THydrogen-bonded Turntrans-63.6136.7178.9-175.593.2000109.9H25 H56H25-W54 HydrophobicContact CB-CE3 4.21Å; H25-W54 HydrophobicContact CB-CZ3 4.04Å; H25-W54 AromaticContact CD2-CE3 3.71Å; W54-H56 PolarHBondContact N-CE1 3.17Å
55P97.9Very high97.9Very high21 Ų2147.5 Ų47.514%0.13626%0.261CS..THydrogen-bonded Turncis-88.610.115.635.7-39.3000116.8L57P55-L57 VanDerWaalsContact C-N 3.32Å; P55-L57 HydrophobicContact CB-CD1 3.98Å; P55-L57 HydrophobicContact CB-CG 3.99Å; P55-L57 HydrophobicContact CG-CB 4.23Å; P55-L57 HydrophobicContact CG-CD1 3.65Å; P55-L57 HydrophobicContact CG-CG 3.82Å; P55-L57 PolarHBondContact O-N 3.48Å
56H97.6Very high97.8Very high112 Ų11248 Ų4852%0.51927%0.266SS..  trans6233.7-179.1-39.1-69.6000114.5G51 A52 F53 W54G51-H56 WeakPolarHBondContact O-CA 3.21Å; G51-H56 PolarHBondContact O-ND1 3.33Å; A52-H56 PolarHBondContact O-CE1 3.37Å; A52-H56 PolarHBondContact O-ND1 2.95Å; F53-H56 VanDerWaalsContact C-CE1 3.48Å; F53-H56 WeakPolarHBondContact O-CA 3.44Å; F53-H56 PolarHBondContact O-N 3.35Å; F53-H56 PolarHBondContact O-ND1 2.82Å; F53-H56 VanDerWaalsContact O-ND1 3.15Å; W54-H56 PolarHBondContact N-CE1 3.17Å
57L98.1Very high97.6Very high41 Ų4149.4 Ų49.422%0.21528%0.276CS..  trans-100.3132.7-176.2-68.2178.5000111.2Q28 Y32 Y48 P55 E59 S60Q28-L57 HydrophobicContact CB-CD1 3.74Å; Q28-L57 HydrophobicContact CG-CD1 3.69Å; Y32-L57 WeakPolarHBondContact OH-CD1 3.31Å; Y48-L57 WeakPolarHBondContact CE2-O 3.33Å; P55-L57 VanDerWaalsContact C-N 3.32Å; P55-L57 HydrophobicContact CB-CD1 3.98Å; P55-L57 HydrophobicContact CB-CG 3.99Å; P55-L57 HydrophobicContact CG-CB 4.23Å; P55-L57 HydrophobicContact CG-CD1 3.65Å; P55-L57 HydrophobicContact CG-CG 3.82Å; P55-L57 PolarHBondContact O-N 3.48Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 HydrophobicContact CB-CG 4.12Å; L57-E59 WeakPolarHBondContact CB-OE2 3.33Å; L57-E59 PolarHBondContact O-N 2.76Å; L57-S60 WeakPolarHBondContact O-CB 3.26Å; L57-S60 PolarHBondContact O-N 2.87Å; L57-S60 PolarHBondContact O-OG 3.4Å
58Q97.1Very high97.5Very high154 Ų15451.4 Ų51.472%0.7230%0.303SS*.G310 helixtrans-68.3-32.6177.7-175.6178.7-4.100111S60 D61Q58-S60 PolarHBondContact O-N 3.41Å; Q58-D61 VanDerWaalsContact O-CB 3.27Å; Q58-D61 WeakPolarHBondContact O-CB 3.47Å; Q58-D61 PolarHBondContact O-N 3.29Å; Q58-D61 VanDerWaalsContact O-N 3.1Å
59E97.1Very high97.1Very high57 Ų5759 Ų5927%0.26633%0.331SS..G310 helixtrans-72.6-1.3176.465.3-97.3-12800114.6H26 Q31 Y32 L57 D61 F64 N76H26-E59 PolarHBondContact NE2-O 2.88Å; H26-E59 VanDerWaalsContact NE2-O 3.14Å; Q31-E59 PolarHBondContact NE2-O 2.73Å; Q31-E59 PolarHBondContact OE1-O 3.05Å; Y32-E59 HydrophobicContact CE1-CG 4.03Å; Y32-E59 PolarHBondContact OH-OE1 3.35Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 HydrophobicContact CB-CG 4.12Å; L57-E59 WeakPolarHBondContact CB-OE2 3.33Å; L57-E59 PolarHBondContact O-N 2.76Å; E59-D61 VanDerWaalsContact C-N 3.3Å; E59-F64 HydrophobicContact CB-CB 4.49Å; E59-F64 HydrophobicContact CB-CD2 4.34Å; E59-F64 HydrophobicContact CB-CG 4.28Å; E59-N76 PolarHBondContact O-ND2 3.39Å
60S98.4Very high97Very high1 Ų155.8 Ų55.81%0.00732%0.317CS..G310 helixtrans-79.8-13.4165.5-540000112.4H26 H46 L57 Q58 N76H26-S60 WeakPolarHBondContact CE1-CA 3.32Å; H26-S60 WeakPolarHBondContact CE1-CB 3.45Å; H26-S60 PolarHBondContact CE1-OG 3.19Å; H26-S60 WeakPolarHBondContact ND1-CB 3.48Å; H26-S60 PolarHBondContact ND1-OG 3.32Å; H46-S60 PolarHBondContact CE1-O 3.3Å; H46-S60 VanDerWaalsContact CE1-O 3.27Å; H46-S60 PolarHBondContact NE2-O 3.35Å; H46-S60 VanDerWaalsContact NE2-O 3.07Å; L57-S60 WeakPolarHBondContact O-CB 3.26Å; L57-S60 PolarHBondContact O-N 2.87Å; L57-S60 PolarHBondContact O-OG 3.4Å; Q58-S60 PolarHBondContact O-N 3.41Å; S60-N76 VanDerWaalsContact O-CB 3.32Å; S60-N76 WeakPolarHBondContact O-CB 3.3Å
61D98.6Very high97Very high35 Ų3558.4 Ų58.419%0.18731%0.313CS..SBendtrans-69.3156.4177.2-17739.1000112.3Y48 Q58 E59 S63 F64 N76Y48-D61 HydrophobicContact CE1-CB 4.02Å; Q58-D61 VanDerWaalsContact O-CB 3.27Å; Q58-D61 WeakPolarHBondContact O-CB 3.47Å; Q58-D61 PolarHBondContact O-N 3.29Å; Q58-D61 VanDerWaalsContact O-N 3.1Å; E59-D61 VanDerWaalsContact C-N 3.3Å; D61-S63 PolarHBondContact O-N 2.87Å; D61-S63 VanDerWaalsContact OD2-CB 3.27Å; D61-S63 WeakPolarHBondContact OD2-CB 3.29Å; D61-S63 PolarHBondContact OD2-N 3.32Å; D61-S63 PolarHBondContact OD2-OG 2.87Å; D61-F64 PolarHBondContact O-N 3.29Å; D61-F64 VanDerWaalsContact O-N 3.11Å; D61-N76 PolarHBondContact O-ND2 3.11Å
62C97.7Very high96.9Very high12 Ų1257.6 Ų57.68%0.08131%0.305CS..THydrogen-bonded Turntrans-61.1-19.8175.564.30000114.1F64 N76 P78 T197 A200C62-F64 PolarHBondContact O-N 3.36Å; C62-N76 WeakPolarHBondContact CA-O 3.04Å; C62-N76 VanDerWaalsContact CB-O 3.28Å; C62-N76 WeakPolarHBondContact CB-O 3.41Å; C62-P78 HydrophobicContact CB-CG 4.12Å; C62-T197 HydrophobicContact CB-CG2 4.48Å; C62-T197 WeakPolarHBondContact CB-OG1 3.47Å; C62-A200 VanDerWaalsContact O-CB 3.24Å; C62-A200 WeakPolarHBondContact O-CB 3.16Å
63S97.1Very high97Very high76 Ų7657.6 Ų57.653%0.53129%0.29SS..THydrogen-bonded Turntrans-67.7-16.3174.1590000114.1D61D61-S63 PolarHBondContact O-N 2.87Å; D61-S63 VanDerWaalsContact OD2-CB 3.27Å; D61-S63 WeakPolarHBondContact OD2-CB 3.29Å; D61-S63 PolarHBondContact OD2-N 3.32Å; D61-S63 PolarHBondContact OD2-OG 2.87Å
64F98.2Very high97Very high50 Ų5056.4 Ų56.422%0.21928%0.284CS..  trans-92.6106.2171.6-173.6-90.6000111.1Q31 Q35 E59 D61 C62 T74Q31-F64 VanDerWaalsContact CD-CD1 3.48Å; Q31-F64 HydrophobicContact CG-CD1 4.22Å; Q31-F64 HydrophobicContact CG-CE1 3.73Å; Q31-F64 VanDerWaalsContact NE2-CD1 3.32Å; Q35-F64 HydrophobicContact CB-CE1 4.23Å; Q35-F64 HydrophobicContact CB-CZ 4.03Å; E59-F64 HydrophobicContact CB-CB 4.49Å; E59-F64 HydrophobicContact CB-CD2 4.34Å; E59-F64 HydrophobicContact CB-CG 4.28Å; D61-F64 PolarHBondContact O-N 3.29Å; D61-F64 VanDerWaalsContact O-N 3.11Å; C62-F64 PolarHBondContact O-N 3.36Å; F64-T74 HydrophobicContact CD1-CG2 3.96Å; F64-T74 HydrophobicContact CE1-CG2 4.19Å
65V98Very high97Very high15 Ų1549.9 Ų49.99%0.09126%0.26CS..  trans-105.410.3-177.5-60.70000114.1E71 G72 R73 T74 A200 L201V65-E71 HydrophobicContact CG2-CG 3.85Å; V65-G72 CarbonylContact O-C 3.55Å; V65-G72 WeakPolarHBondContact O-CA 3.48Å; V65-G72 PolarHBondContact O-N 2.61Å; V65-R73 PolarHBondContact O-N 3.35Å; V65-T74 WeakPolarHBondContact CA-O 3.21Å; V65-T74 PolarHBondContact O-N 3.15Å; V65-A200 HydrophobicContact CG1-CB 4.01Å; V65-L201 HydrophobicContact CB-CD2 4.14Å; V65-L201 HydrophobicContact CG1-CD2 3.76Å; V65-L201 HydrophobicContact CG1-CG 4.37Å
66G96.8Very high97.1Very high11 Ų1148.9 Ų48.911%0.11325%0.254CS..  trans99.1-176.9-170.400000112.4
67S95.4Very high97.1Very high32 Ų3243.6 Ų43.622%0.22423%0.229CC..  trans-139.8157-174.260.10000114Q35 E36 R69 A70Q35-S67 PolarHBondContact O-N 2.89Å; Q35-S67 PolarHBondContact O-OG 2.91Å; E36-S67 WeakPolarHBondContact CG-OG 3.38Å; S67-R69 PolarHBondContact O-N 3.31Å; S67-A70 PolarHBondContact O-N 3.31Å; S67-A70 VanDerWaalsContact O-N 3.11Å
68G95.1Very high97.2Very high62 Ų6241.6 Ų41.664%0.63922%0.219SC*.G310 helixtrans57.6-126.1178.300000112.2A70G68-A70 PolarHBondContact O-N 2.8Å
69R90.8Very high97.2Very high180 Ų18034.3 Ų34.368%0.67918%0.184SC*.G310 helixtrans-72.2-6.9-179.268.8179.6-179.8161.86.6115E36 D37 S38 S67E36-R69 WeakPolarHBondContact O-CG 3.37Å; E36-R69 PolarHBondContact O-NE 3.1Å; D37-R69 IonicContact OD1-NH2 3.74Å; S38-R69 WeakPolarHBondContact CB-O 3.35Å; S67-R69 PolarHBondContact O-N 3.31Å
70A95.2Very high97.3Very high1 Ų133.9 Ų33.91%0.00818%0.184CC..G310 helixtrans-116.114.9-177.200000112.6E36 D37 S67 G68 G72 R73E36-A70 VanDerWaalsContact C-CB 3.42Å; D37-A70 VanDerWaalsContact N-CB 3.3Å; S67-A70 PolarHBondContact O-N 3.31Å; S67-A70 VanDerWaalsContact O-N 3.11Å; G68-A70 PolarHBondContact O-N 2.8Å; A70-G72 PolarHBondContact O-N 3.07Å; A70-R73 HydrophobicContact CB-CB 4.26Å; A70-R73 HydrophobicContact CB-CG 4.22Å; A70-R73 VanDerWaalsContact O-CB 3.23Å; A70-R73 WeakPolarHBondContact O-CB 3.36Å; A70-R73 WeakPolarHBondContact O-CG 3.31Å; A70-R73 PolarHBondContact O-N 3.08Å
71E96.4Very high97.3Very high113 Ų11340 Ų4053%0.52821%0.21SC..THydrogen-bonded Turntrans-55.1127.5166.9-157.8-178.7-170.300110.1V65 H204V65-E71 HydrophobicContact CG2-CG 3.85Å; E71-H204 PolarHBondContact O-ND1 3.37Å
72G96.9Very high97.3Very high1 Ų140.8 Ų40.81%0.0122%0.217CC..THydrogen-bonded Turntrans89.3-4.8-169.700000115.5V65 A70 W205V65-G72 CarbonylContact O-C 3.55Å; V65-G72 WeakPolarHBondContact O-CA 3.48Å; V65-G72 PolarHBondContact O-N 2.61Å; A70-G72 PolarHBondContact O-N 3.07Å; G72-W205 VanDerWaalsContact O-CE2 3.3Å; G72-W205 VanDerWaalsContact O-CZ2 3.28Å; G72-W205 WeakPolarHBondContact O-CZ2 3.42Å; G72-W205 PolarHBondContact O-NE1 3.36Å
73R97.9Very high97.3Very high71 Ų7141.9 Ų41.927%0.26823%0.23SC..SBendtrans-100.2-0.2-177.7-51.8-63.3-170.3-162.20.4114.3L41 Y42 V65 A70 W205L41-R73 WeakPolarHBondContact CD1-O 3.48Å; Y42-R73 PolarHBondContact N-O 2.9Å; V65-R73 PolarHBondContact O-N 3.35Å; A70-R73 HydrophobicContact CB-CB 4.26Å; A70-R73 HydrophobicContact CB-CG 4.22Å; A70-R73 VanDerWaalsContact O-CB 3.23Å; A70-R73 WeakPolarHBondContact O-CB 3.36Å; A70-R73 WeakPolarHBondContact O-CG 3.31Å; A70-R73 PolarHBondContact O-N 3.08Å; R73-W205 VanDerWaalsContact NH1-CZ2 3.26Å
74T98.6Very high97.3Very high2 Ų238.5 Ų38.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-108130.8163.2-64.80000108.5Q31 Y42 F64 V65Q31-T74 HydrophobicContact CG-CG2 4.01Å; Y42-T74 HydrophobicContact CD1-CG2 4.29Å; Y42-T74 CarbonylContact O-C 3.54Å; F64-T74 HydrophobicContact CD1-CG2 3.96Å; F64-T74 HydrophobicContact CE1-CG2 4.19Å; V65-T74 WeakPolarHBondContact CA-O 3.21Å; V65-T74 PolarHBondContact O-N 3.15Å
75I98.8Very high97.3Very high0 Ų036.6 Ų36.60%020%0.199CC..EExtended strand (participates in β ladder)trans-125.4104.4178.6-56.7178.8000108L41 Y42 F43 S44 V96 V100 T197 L201L41-I75 HydrophobicContact CD1-CD1 3.94Å; L41-I75 HydrophobicContact CD1-CG1 4.24Å; Y42-I75 PolarHBondContact O-N 3.02Å; F43-I75 CarbonylContact C-O 3.39Å; F43-I75 WeakPolarHBondContact CA-O 3.32Å; F43-I75 HydrophobicContact CB-CB 4.38Å; F43-I75 HydrophobicContact CD2-CB 3.87Å; F43-I75 HydrophobicContact CD2-CD1 4.42Å; F43-I75 HydrophobicContact CD2-CG2 3.41Å; F43-I75 VanDerWaalsContact CD2-CG2 3.41Å; F43-I75 HydrophobicContact CE2-CG2 3.82Å; F43-I75 HydrophobicContact CG-CG2 4.43Å; S44-I75 PolarHBondContact N-O 2.84Å; I75-V96 HydrophobicContact CG2-CG1 4.05Å; I75-V100 HydrophobicContact CD1-CB 4.25Å; I75-V100 HydrophobicContact CD1-CG1 3.53Å; I75-V100 HydrophobicContact CD1-CG2 4.44Å; I75-T197 HydrophobicContact CG2-CG2 3.98Å; I75-L201 HydrophobicContact CB-CD1 4.07Å; I75-L201 HydrophobicContact CD1-CD1 3.95Å; I75-L201 HydrophobicContact CG1-CD1 3.62Å; I75-L201 HydrophobicContact CG1-CD2 3.98Å; I75-L201 HydrophobicContact CG1-CG 4.47Å; I75-L201 HydrophobicContact CG2-CD1 3.63Å
76N98.9Very high97.3Very high1 Ų136.2 Ų36.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-100.2127.5171.4-69.7-24.8000109.4Q31 E59 S60 D61 C62 P78 T197Q31-N76 PolarHBondContact OE1-ND2 2.59Å; Q31-N76 PolarHBondContact OE1-OD1 2.7Å; E59-N76 PolarHBondContact O-ND2 3.39Å; S60-N76 VanDerWaalsContact O-CB 3.32Å; S60-N76 WeakPolarHBondContact O-CB 3.3Å; D61-N76 PolarHBondContact O-ND2 3.11Å; C62-N76 WeakPolarHBondContact CA-O 3.04Å; C62-N76 VanDerWaalsContact CB-O 3.28Å; C62-N76 WeakPolarHBondContact CB-O 3.41Å; N76-P78 WeakPolarHBondContact O-CD 3.33Å; N76-T197 WeakPolarHBondContact O-CG2 3.27Å; N76-T197 PolarHBondContact O-OG1 2.97Å
77L98.8Very high97.4Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-118.187176.7-155.9170.7000108.8F43 S44 V45 H46 W79 A92 V96 I194 T197F43-L77 HydrophobicContact CE2-CD1 4.25Å; F43-L77 HydrophobicContact CZ-CD1 4.1Å; S44-L77 PolarHBondContact O-N 3.36Å; V45-L77 HydrophobicContact CB-CB 4.26Å; V45-L77 HydrophobicContact CG2-CB 4.38Å; V45-L77 HydrophobicContact CG2-CD2 4.32Å; H46-L77 PolarHBondContact N-O 3.27Å; L77-W79 HydrophobicContact CD2-CD2 4.16Å; L77-W79 HydrophobicContact CD2-CE3 3.64Å; L77-W79 HydrophobicContact CD2-CH2 3.55Å; L77-W79 HydrophobicContact CD2-CZ2 4.05Å; L77-W79 HydrophobicContact CD2-CZ3 3.29Å; L77-W79 PolarHBondContact O-N 3.33Å; L77-A92 HydrophobicContact CD1-CB 3.47Å; L77-A92 VanDerWaalsContact CD1-CB 3.47Å; L77-V96 HydrophobicContact CD1-CG2 4.07Å; L77-I194 HydrophobicContact CD1-CG1 4.26Å; L77-I194 HydrophobicContact CD2-CG1 4.31Å; L77-T197 HydrophobicContact CB-CG2 4.43Å; L77-T197 HydrophobicContact CG-CG2 4.35Å
78P98.8Very high97.6Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-81.2118.4-172.929.8-33.9000112.3Y48 C62 N76 N80 S193Y48-P78 VanDerWaalsContact CB-CB 3.42Å; Y48-P78 HydrophobicContact CD1-CB 3.5Å; Y48-P78 VanDerWaalsContact CD1-CB 3.5Å; Y48-P78 HydrophobicContact CD1-CG 4.29Å; Y48-P78 HydrophobicContact CE1-CB 4.39Å; Y48-P78 HydrophobicContact CG-CB 3.59Å; C62-P78 HydrophobicContact CB-CG 4.12Å; N76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-N80 PolarHBondContact O-N 2.83Å; P78-S193 VanDerWaalsContact O-CB 3.28Å; P78-S193 WeakPolarHBondContact O-CB 3.44Å; P78-S193 PolarHBondContact O-OG 3Å
79W98.8Very high97.7Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-76110.4170.1-64142000111.1V45 H46 Y48 E49 L77 K81 M84 D88 Y89 A92 M126 A190 I194V45-W79 HydrophobicContact CG2-CD2 4.35Å; V45-W79 VanDerWaalsContact CG2-CE2 3.42Å; V45-W79 HydrophobicContact CG2-CZ2 3.54Å; H46-W79 WeakPolarHBondContact O-CB 3.21Å; H46-W79 PolarHBondContact O-N 3.46Å; Y48-W79 PolarHBondContact N-O 2.74Å; E49-W79 PolarHBondContact N-O 3.35Å; E49-W79 VanDerWaalsContact N-O 3.1Å; L77-W79 HydrophobicContact CD2-CD2 4.16Å; L77-W79 HydrophobicContact CD2-CE3 3.64Å; L77-W79 HydrophobicContact CD2-CH2 3.55Å; L77-W79 HydrophobicContact CD2-CZ2 4.05Å; L77-W79 HydrophobicContact CD2-CZ3 3.29Å; L77-W79 PolarHBondContact O-N 3.33Å; W79-K81 VanDerWaalsContact C-N 3.26Å; W79-K81 PolarHBondContact O-N 3.24Å; W79-M84 HydrophobicContact CB-CE 3.83Å; W79-M84 HydrophobicContact CB-CG 4.1Å; W79-M84 HydrophobicContact CD2-CE 3.97Å; W79-M84 HydrophobicContact CD2-CG 3.92Å; W79-M84 HydrophobicContact CD2-SD 4.35Å; W79-M84 HydrophobicContact CE3-CE 3.77Å; W79-M84 HydrophobicContact CE3-SD 4.35Å; W79-M84 HydrophobicContact CG-CE 4.05Å; W79-M84 HydrophobicContact CG-CG 3.75Å; W79-D88 HydrophobicContact CH2-CB 4.31Å; W79-D88 HydrophobicContact CZ2-CB 4.37Å; W79-Y89 HydrophobicContact CZ2-CD2 4.34Å; W79-Y89 HydrophobicContact CZ2-CE2 4.42Å; W79-Y89 AromaticContact NE1-CE1 3.91Å; W79-Y89 AromaticContact NE1-CE2 3.46Å; W79-Y89 AromaticContact NE1-CZ 3.29Å; W79-Y89 VanDerWaalsContact NE1-CZ 3.29Å; W79-Y89 PolarHBondContact NE1-OH 3Å; W79-A92 HydrophobicContact CH2-CB 4.02Å; W79-A92 HydrophobicContact CZ2-CB 4.28Å; W79-M126 HydrophobicContact CB-CE 4.18Å; W79-A190 HydrophobicContact CE3-CB 4.25Å; W79-A190 HydrophobicContact CH2-CB 3.86Å; W79-A190 HydrophobicContact CZ3-CB 3.49Å; W79-A190 VanDerWaalsContact CZ3-CB 3.49Å; W79-I194 HydrophobicContact CH2-CD1 4.27Å; W79-I194 HydrophobicContact CH2-CG1 4.28Å; W79-I194 HydrophobicContact CZ3-CG1 4.27Å
80N98.4Very high98.1Very high49 Ų4923.4 Ų23.426%0.26212%0.122SC..SBendtrans-85.69.3-179.4-74.1-51.1000114.3Y48 G50 P78Y48-N80 WeakPolarHBondContact CD1-OD1 3.28Å; G50-N80 PolarHBondContact N-OD1 3.49Å; P78-N80 PolarHBondContact O-N 2.83Å
81K98.1Very high98.3Very high128 Ų12823.6 Ų23.656%0.55712%0.123SC*.SBendtrans-146.9157.4169.3-68.7-172.7-172.1177.60110.4W79 M84 S189W79-K81 VanDerWaalsContact C-N 3.26Å; W79-K81 PolarHBondContact O-N 3.24Å; K81-M84 HydrophobicContact CB-CE 4.18Å; K81-S189 WeakPolarHBondContact CG-OG 3.21Å
82T98Very high98.4Very high53 Ų5318.2 Ų18.233%0.32510%0.098SC..SBendtrans-77.2173.4164.651.10000111.8E125T82-E125 WeakPolarHBondContact CB-O 3.5Å; T82-E125 HydrophobicContact CG2-CB 3.78Å
83G97.8Very high98.5Very high35 Ų3518.1 Ų18.136%0.36110%0.097SC..  trans75.619.4175.400000115.7E125G83-E125 PolarHBondContact N-O 2.75Å
84M98.4Very high98.4Very high4 Ų414.9 Ų14.92%0.029%0.085CC..  trans-63.2139.1175.2-59.9-61.9-172.300110.9W79 K81 D88 Y89 M126 C127 V128 A190W79-M84 HydrophobicContact CB-CE 3.83Å; W79-M84 HydrophobicContact CB-CG 4.1Å; W79-M84 HydrophobicContact CD2-CE 3.97Å; W79-M84 HydrophobicContact CD2-CG 3.92Å; W79-M84 HydrophobicContact CD2-SD 4.35Å; W79-M84 HydrophobicContact CE3-CE 3.77Å; W79-M84 HydrophobicContact CE3-SD 4.35Å; W79-M84 HydrophobicContact CG-CE 4.05Å; W79-M84 HydrophobicContact CG-CG 3.75Å; K81-M84 HydrophobicContact CB-CE 4.18Å; M84-D88 HydrophobicContact CB-CB 4.19Å; M84-D88 HydrophobicContact SD-CB 4.35Å; M84-Y89 HydrophobicContact CB-CD2 4.5Å; M84-Y89 HydrophobicContact CB-CE2 3.93Å; M84-M126 HydrophobicContact CB-SD 3.63Å; M84-M126 HydrophobicContact CG-CE 4.4Å; M84-M126 HydrophobicContact CG-SD 3.73Å; M84-M126 PolarHBondContact N-SD 3.24Å; M84-C127 CarbonylContact O-C 3.56Å; M84-C127 WeakPolarHBondContact O-CA 3.39Å; M84-C127 PolarHBondContact O-N 3.34Å; M84-V128 PolarHBondContact O-N 3.49Å; M84-A190 HydrophobicContact SD-CB 4.18Å
85S98.1Very high98.4Very high10 Ų1014.9 Ų14.97%0.079%0.085CC..BIsolated β-bridgetrans-107.2172.4-169.767.80000113.2A87 D88 Y89S85-A87 PolarHBondContact O-N 3.47Å; S85-D88 WeakPolarHBondContact CB-OD2 3.41Å; S85-D88 PolarHBondContact N-OD2 3.1Å; S85-D88 WeakPolarHBondContact O-CB 3.28Å; S85-D88 PolarHBondContact O-N 3.04Å; S85-D88 PolarHBondContact OG-OD2 3.33Å; S85-Y89 PolarHBondContact O-N 3.25Å
86D98.2Very high98.3Very high7 Ų714.9 Ų14.94%0.0379%0.085CC..Hα-helixtrans-45.1-46.1172.7-5820000112D88 Y89 I90 V128 H129 C132 N181D86-D88 PolarHBondContact O-N 2.82Å; D86-Y89 PolarHBondContact O-N 3.32Å; D86-I90 WeakPolarHBondContact O-CB 3.47Å; D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.12Å; D86-I90 PolarHBondContact O-N 2.96Å; D86-V128 WeakPolarHBondContact OD1-CA 3.48Å; D86-H129 IonicContact OD1-CG 3.2Å; D86-H129 PolarHBondContact OD1-N 3.44Å; D86-H129 IonicContact OD1-ND1 3.67Å; D86-H129 PolarHBondContact OD1-ND1 3.43Å; D86-H129 IonicContact OD2-CG 2.7Å; D86-H129 IonicContact OD2-ND1 3.35Å; D86-H129 PolarHBondContact OD2-ND1 2.94Å; D86-C132 HydrophobicContact CB-CB 4.23Å; D86-N181 PolarHBondContact OD2-ND2 2.88Å
87A98.1Very high98.3Very high5 Ų514.8 Ų14.84%0.0419%0.085CC..Hα-helixtrans-66.7-31.1-179.200000114.1S85 T91 P183 T184S85-A87 PolarHBondContact O-N 3.47Å; A87-T91 VanDerWaalsContact O-CB 3.29Å; A87-T91 WeakPolarHBondContact O-CB 3.34Å; A87-T91 PolarHBondContact O-N 3.49Å; A87-T91 PolarHBondContact O-OG1 3.28Å; A87-P183 VanDerWaalsContact CB-O 3.3Å; A87-P183 WeakPolarHBondContact CB-O 3.34Å; A87-T184 VanDerWaalsContact CB-C 3.45Å; A87-T184 WeakPolarHBondContact CB-O 3.33Å
88D98.7Very high98.3Very high4 Ų414.9 Ų14.92%0.0219%0.085CC..Hα-helixtrans-68.5-44.2177.6-59.6-69.7000110.4W79 M84 S85 D86 A92 S187 A190W79-D88 HydrophobicContact CH2-CB 4.31Å; W79-D88 HydrophobicContact CZ2-CB 4.37Å; M84-D88 HydrophobicContact CB-CB 4.19Å; M84-D88 HydrophobicContact SD-CB 4.35Å; S85-D88 WeakPolarHBondContact CB-OD2 3.41Å; S85-D88 PolarHBondContact N-OD2 3.1Å; S85-D88 WeakPolarHBondContact O-CB 3.28Å; S85-D88 PolarHBondContact O-N 3.04Å; S85-D88 PolarHBondContact OG-OD2 3.33Å; D86-D88 PolarHBondContact O-N 2.82Å; D88-A92 WeakPolarHBondContact O-CB 2.98Å; D88-A92 PolarHBondContact O-N 3.26Å; D88-S187 VanDerWaalsContact OD1-CB 3.26Å; D88-S187 WeakPolarHBondContact OD1-CB 3.45Å; D88-S187 PolarHBondContact OD1-N 3.23Å; D88-S187 PolarHBondContact OD1-OG 2.86Å; D88-A190 HydrophobicContact CB-CB 3.71Å; D88-A190 WeakPolarHBondContact OD1-CB 3.2Å
89Y98.8Very high98.3Very high0 Ų015.1 Ų15.10%09%0.086CC..Hα-helixtrans-69.8-42.5176.2-78.7-104.5000112.5V45 W79 M84 S85 D86 T91 A92 F93 A117 V128 L136V45-Y89 HydrophobicContact CG1-CD1 4.17Å; V45-Y89 HydrophobicContact CG1-CE1 3.94Å; V45-Y89 HydrophobicContact CG2-CD1 4.32Å; V45-Y89 HydrophobicContact CG2-CE1 3.98Å; W79-Y89 HydrophobicContact CZ2-CD2 4.34Å; W79-Y89 HydrophobicContact CZ2-CE2 4.42Å; W79-Y89 AromaticContact NE1-CE1 3.91Å; W79-Y89 AromaticContact NE1-CE2 3.46Å; W79-Y89 AromaticContact NE1-CZ 3.29Å; W79-Y89 VanDerWaalsContact NE1-CZ 3.29Å; W79-Y89 PolarHBondContact NE1-OH 3Å; M84-Y89 HydrophobicContact CB-CD2 4.5Å; M84-Y89 HydrophobicContact CB-CE2 3.93Å; S85-Y89 PolarHBondContact O-N 3.25Å; D86-Y89 PolarHBondContact O-N 3.32Å; Y89-T91 PolarHBondContact O-N 3.11Å; Y89-A92 WeakPolarHBondContact O-CB 3.1Å; Y89-A92 PolarHBondContact O-N 3.12Å; Y89-F93 WeakPolarHBondContact O-CD2 3.38Å; Y89-F93 PolarHBondContact O-N 3.41Å; Y89-A117 HydrophobicContact CE1-CB 4.32Å; Y89-A117 WeakPolarHBondContact OH-CB 3.38Å; Y89-V128 HydrophobicContact CD2-CG2 3.44Å; Y89-V128 VanDerWaalsContact CD2-CG2 3.44Å; Y89-V128 HydrophobicContact CE2-CG2 3.32Å; Y89-V128 HydrophobicContact CG-CG2 4.19Å; Y89-L136 HydrophobicContact CD1-CD1 4.4Å
90I98.6Very high98.3Very high8 Ų815.1 Ų15.14%0.0419%0.086CC..Hα-helixtrans-61.3-44175.8-74.8168.7000111D86 A92 F93 Q94 I135 L136 M139 L180 A491D86-I90 WeakPolarHBondContact O-CB 3.47Å; D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.12Å; D86-I90 PolarHBondContact O-N 2.96Å; I90-A92 PolarHBondContact O-N 3.38Å; I90-F93 PolarHBondContact O-N 3.33Å; I90-Q94 HydrophobicContact CG2-CG 4.39Å; I90-Q94 WeakPolarHBondContact O-CB 3.44Å; I90-Q94 VanDerWaalsContact O-CG 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.49Å; I90-Q94 PolarHBondContact O-N 3.29Å; I90-I135 HydrophobicContact CD1-CD1 4.47Å; I90-I135 HydrophobicContact CD1-CG2 4.23Å; I90-I135 HydrophobicContact CG1-CG2 4.41Å; I90-L136 HydrophobicContact CG1-CD2 4.42Å; I90-M139 HydrophobicContact CG1-CE 4.47Å; I90-M139 HydrophobicContact CG2-CE 4.13Å; I90-L180 HydrophobicContact CD1-CD2 3.63Å; I90-A491 HydrophobicContact CG2-CB 4.29Å
91T98.6Very high98.3Very high4 Ų412.8 Ų12.83%0.0257%0.074CC..Hα-helixtrans-65.2-40.3177.5-53.60000111.2A87 Y89 F93 Q94 Q95 P186 I194A87-T91 VanDerWaalsContact O-CB 3.29Å; A87-T91 WeakPolarHBondContact O-CB 3.34Å; A87-T91 PolarHBondContact O-N 3.49Å; A87-T91 PolarHBondContact O-OG1 3.28Å; Y89-T91 PolarHBondContact O-N 3.11Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 2.82Å; T91-Q94 PolarHBondContact O-N 3.24Å; T91-Q95 HydrophobicContact CG2-CG 3.95Å; T91-Q95 WeakPolarHBondContact O-CB 3.47Å; T91-Q95 PolarHBondContact O-N 3.3Å; T91-P186 HydrophobicContact CG2-CB 4.4Å; T91-P186 HydrophobicContact CG2-CG 4.12Å; T91-P186 WeakPolarHBondContact OG1-CG 3.43Å; T91-I194 HydrophobicContact CG2-CD1 3.94Å
92A98.7Very high98.2Very high0 Ų07.2 Ų7.20%05%0.051CC..Hα-helixtrans-59.4-42.2173.600000112.6L77 W79 D88 Y89 I90 V96 L97 I194L77-A92 HydrophobicContact CD1-CB 3.47Å; L77-A92 VanDerWaalsContact CD1-CB 3.47Å; W79-A92 HydrophobicContact CH2-CB 4.02Å; W79-A92 HydrophobicContact CZ2-CB 4.28Å; D88-A92 WeakPolarHBondContact O-CB 2.98Å; D88-A92 PolarHBondContact O-N 3.26Å; Y89-A92 WeakPolarHBondContact O-CB 3.1Å; Y89-A92 PolarHBondContact O-N 3.12Å; I90-A92 PolarHBondContact O-N 3.38Å; A92-V96 VanDerWaalsContact O-CB 3.29Å; A92-V96 WeakPolarHBondContact O-CB 3.45Å; A92-V96 PolarHBondContact O-N 3.36Å; A92-L97 PolarHBondContact O-N 3.45Å; A92-I194 HydrophobicContact CB-CD1 4.19Å; A92-I194 HydrophobicContact CB-CG1 4.31Å
93F98.8Very high98.2Very high0 Ų07.4 Ų7.40%05%0.048CC..Iπ-helixtrans-66.2-47176.9-88.7-128.7000111.7V20 W22 F43 Y89 I90 T91 L97 L98 L136 M139 L140V20-F93 HydrophobicContact CG1-CZ 3.99Å; W22-F93 HydrophobicContact CE3-CZ 4.24Å; F43-F93 HydrophobicContact CE1-CE2 4.16Å; Y89-F93 WeakPolarHBondContact O-CD2 3.38Å; Y89-F93 PolarHBondContact O-N 3.41Å; I90-F93 PolarHBondContact O-N 3.33Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 2.82Å; F93-L97 HydrophobicContact CD1-CD2 3.91Å; F93-L97 HydrophobicContact CD2-CD2 4.24Å; F93-L97 HydrophobicContact CE1-CD2 3.72Å; F93-L97 HydrophobicContact CE2-CD2 4.06Å; F93-L97 HydrophobicContact CG-CD2 4.17Å; F93-L97 HydrophobicContact CZ-CD2 3.79Å; F93-L97 PolarHBondContact O-N 2.99Å; F93-L98 WeakPolarHBondContact O-CB 3.31Å; F93-L98 WeakPolarHBondContact O-CG 3.43Å; F93-L98 PolarHBondContact O-N 3.06Å; F93-L136 HydrophobicContact CB-CD2 4.5Å; F93-L136 HydrophobicContact CD1-CB 4.4Å; F93-L136 HydrophobicContact CD1-CD2 3.83Å; F93-L136 HydrophobicContact CD2-CD2 3.96Å; F93-L136 HydrophobicContact CE1-CB 3.85Å; F93-L136 HydrophobicContact CE1-CD2 3.97Å; F93-L136 HydrophobicContact CE1-CG 4.35Å; F93-L136 HydrophobicContact CE2-CD1 4.3Å; F93-L136 HydrophobicContact CE2-CD2 4.11Å; F93-L136 HydrophobicContact CG-CD2 3.84Å; F93-L136 HydrophobicContact CZ-CB 4.13Å; F93-L136 HydrophobicContact CZ-CD1 4.18Å; F93-L136 HydrophobicContact CZ-CD2 4.12Å; F93-L136 HydrophobicContact CZ-CG 4.36Å; F93-M139 HydrophobicContact CB-SD 3.88Å; F93-M139 HydrophobicContact CD1-CB 4.35Å; F93-M139 HydrophobicContact CD1-SD 4.18Å; F93-M139 HydrophobicContact CG-SD 4.43Å; F93-L140 HydrophobicContact CE1-CD1 4.26Å; F93-L140 HydrophobicContact CE1-CD2 4.19Å; F93-L140 HydrophobicContact CE1-CG 4.12Å
94Q97.2Very high98.2Very high3 Ų36.1 Ų6.11%0.0143%0.033CC..Iπ-helixtrans-67.5-43-178.6-70.5174.1-1200113.5I90 T91 P99 M139 M487I90-Q94 HydrophobicContact CG2-CG 4.39Å; I90-Q94 WeakPolarHBondContact O-CB 3.44Å; I90-Q94 VanDerWaalsContact O-CG 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.49Å; I90-Q94 PolarHBondContact O-N 3.29Å; T91-Q94 PolarHBondContact O-N 3.24Å; Q94-P99 VanDerWaalsContact O-CD 3.24Å; Q94-P99 WeakPolarHBondContact O-CD 3.42Å; Q94-P99 WeakPolarHBondContact O-CG 3.34Å; Q94-M139 HydrophobicContact CG-CE 4.36Å; Q94-M487 HydrophobicContact CG-CB 4.39Å; Q94-M487 PolarHBondContact NE2-O 2.8Å
95Q97.4Very high98.1Very high1 Ų17.2 Ų7.21%0.0054%0.038CC..Iπ-helixtrans-93.1-19.6-172.6-63.5-73.610.100114T91 I194 I198 H484 S597 I600T91-Q95 HydrophobicContact CG2-CG 3.95Å; T91-Q95 WeakPolarHBondContact O-CB 3.47Å; T91-Q95 PolarHBondContact O-N 3.3Å; Q95-I194 HydrophobicContact CB-CG2 4.29Å; Q95-I198 HydrophobicContact CB-CD1 4.25Å; Q95-H484 PolarHBondContact OE1-ND1 3.32Å; Q95-S597 PolarHBondContact NE2-O 3.39Å; Q95-S597 VanDerWaalsContact NE2-O 3.09Å; Q95-I600 HydrophobicContact CB-CD1 4.5Å; Q95-I600 HydrophobicContact CG-CD1 4.29Å; Q95-I600 HydrophobicContact CG-CG1 4.29Å
96V98.5Very high98.1Very high0 Ų07.1 Ų7.10%04%0.037CC..Iπ-helixtrans-118.4-63.1-179-1640000112.1F43 I75 L77 A92 V100 I194 T197 I198 L201F43-V96 HydrophobicContact CE2-CB 4.48Å; F43-V96 HydrophobicContact CE2-CG1 4.33Å; I75-V96 HydrophobicContact CG2-CG1 4.05Å; L77-V96 HydrophobicContact CD1-CG2 4.07Å; A92-V96 VanDerWaalsContact O-CB 3.29Å; A92-V96 WeakPolarHBondContact O-CB 3.45Å; A92-V96 PolarHBondContact O-N 3.36Å; V96-V100 WeakPolarHBondContact O-CB 3.29Å; V96-V100 VanDerWaalsContact O-CG2 3.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.01Å; V96-I194 HydrophobicContact CG2-CG2 3.81Å; V96-T197 HydrophobicContact CG1-CG2 4.15Å; V96-I198 HydrophobicContact CG2-CD1 3.99Å; V96-I198 HydrophobicContact CG2-CG1 3.85Å; V96-L201 HydrophobicContact CG1-CD1 4.29Å
97L98.8Very high98.1Very high0 Ų09.6 Ų9.60%05%0.048CC..Iπ-helixtrans-70.9-52.3-165.9178.454.4000113L18 V20 F43 A92 F93 V100 A101 L140L18-L97 HydrophobicContact CD1-CD1 4.24Å; L18-L97 HydrophobicContact CD2-CD1 4.37Å; V20-L97 HydrophobicContact CG1-CD2 3.79Å; V20-L97 HydrophobicContact CG2-CD1 4.44Å; V20-L97 HydrophobicContact CG2-CD2 4.02Å; F43-L97 HydrophobicContact CB-CD1 3.83Å; F43-L97 HydrophobicContact CD1-CD1 4.29Å; F43-L97 HydrophobicContact CD1-CD2 3.93Å; F43-L97 HydrophobicContact CD2-CB 4.09Å; F43-L97 HydrophobicContact CD2-CD1 3.83Å; F43-L97 HydrophobicContact CD2-CG 4.36Å; F43-L97 HydrophobicContact CE1-CD2 4Å; F43-L97 HydrophobicContact CE2-CB 3.88Å; F43-L97 HydrophobicContact CE2-CD1 4.48Å; F43-L97 HydrophobicContact CG-CD1 3.73Å; F43-L97 HydrophobicContact CG-CD2 4.21Å; F43-L97 HydrophobicContact CG-CG 4.38Å; F43-L97 HydrophobicContact CZ-CB 4.15Å; F43-L97 HydrophobicContact CZ-CD2 4.37Å; A92-L97 PolarHBondContact O-N 3.45Å; F93-L97 HydrophobicContact CD1-CD2 3.91Å; F93-L97 HydrophobicContact CD2-CD2 4.24Å; F93-L97 HydrophobicContact CE1-CD2 3.72Å; F93-L97 HydrophobicContact CE2-CD2 4.06Å; F93-L97 HydrophobicContact CG-CD2 4.17Å; F93-L97 HydrophobicContact CZ-CD2 3.79Å; F93-L97 PolarHBondContact O-N 2.99Å; L97-V100 PolarHBondContact O-N 3.38Å; L97-A101 HydrophobicContact CD1-CB 4.47Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.47Å; L97-L140 HydrophobicContact CD2-CD2 4.04Å
98L98.4Very high98.2Very high2 Ų210.6 Ų10.61%0.015%0.053CC..Hα-helixtrans-64.6-44.4-175.5-64.8175.7000113.4F93 V100 A101 C102 M139 L528F93-L98 WeakPolarHBondContact O-CB 3.31Å; F93-L98 WeakPolarHBondContact O-CG 3.43Å; F93-L98 PolarHBondContact O-N 3.06Å; L98-V100 VanDerWaalsContact C-N 3.32Å; L98-V100 PolarHBondContact O-N 2.96Å; L98-A101 PolarHBondContact O-N 3.32Å; L98-C102 WeakPolarHBondContact O-CB 3.43Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 2.89Å; L98-C102 VanDerWaalsContact O-SG 3.36Å; L98-M139 HydrophobicContact CD1-CB 4.15Å; L98-M139 HydrophobicContact CD1-CG 4.19Å; L98-M139 HydrophobicContact CD1-SD 4.31Å; L98-M139 HydrophobicContact CD2-CB 4.34Å; L98-L528 HydrophobicContact CD1-CD2 4.31Å
99P98.1Very high98.2Very high4 Ų410.4 Ų10.43%0.0265%0.052CC..Hα-helixtrans-53.9-48.5173.7-23.730.8000112.4Q94 E103 S207 L208 H483Q94-P99 VanDerWaalsContact O-CD 3.24Å; Q94-P99 WeakPolarHBondContact O-CD 3.42Å; Q94-P99 WeakPolarHBondContact O-CG 3.34Å; P99-E103 PolarHBondContact O-N 3.22Å; P99-E103 VanDerWaalsContact O-N 3.14Å; P99-S207 WeakPolarHBondContact O-CB 3.5Å; P99-S207 PolarHBondContact O-OG 2.84Å; P99-L208 HydrophobicContact CB-CD2 4.39Å; P99-H483 HydrophobicContact CG-CB 3.88Å
100V98.5Very high98.2Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-70.2-39.6-178.3169.60000111.7L41 I75 V96 L97 L98 E103 F104 W205 L208L41-V100 HydrophobicContact CD1-CG1 4.38Å; L41-V100 HydrophobicContact CD2-CG1 3.86Å; I75-V100 HydrophobicContact CD1-CB 4.25Å; I75-V100 HydrophobicContact CD1-CG1 3.53Å; I75-V100 HydrophobicContact CD1-CG2 4.44Å; V96-V100 WeakPolarHBondContact O-CB 3.29Å; V96-V100 VanDerWaalsContact O-CG2 3.28Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.01Å; L97-V100 PolarHBondContact O-N 3.38Å; L98-V100 VanDerWaalsContact C-N 3.32Å; L98-V100 PolarHBondContact O-N 2.96Å; V100-E103 PolarHBondContact O-N 2.99Å; V100-F104 VanDerWaalsContact O-CB 3.29Å; V100-F104 WeakPolarHBondContact O-CB 3.22Å; V100-F104 PolarHBondContact O-N 3.04Å; V100-W205 HydrophobicContact CB-CD2 4.28Å; V100-W205 HydrophobicContact CB-CE3 4.33Å; V100-W205 HydrophobicContact CG1-CD2 3.59Å; V100-W205 VanDerWaalsContact CG1-CE2 3.43Å; V100-W205 HydrophobicContact CG1-CE3 3.71Å; V100-W205 HydrophobicContact CG1-CG 4.3Å; V100-W205 HydrophobicContact CG1-CH2 3.46Å; V100-W205 VanDerWaalsContact CG1-CH2 3.46Å; V100-W205 HydrophobicContact CG1-CZ2 3.39Å; V100-W205 HydrophobicContact CG1-CZ3 3.66Å; V100-W205 HydrophobicContact CG2-CB 4.24Å; V100-W205 HydrophobicContact CG2-CD2 4.05Å; V100-W205 HydrophobicContact CG2-CE3 4.47Å; V100-W205 HydrophobicContact CG2-CG 3.93Å; V100-W205 WeakPolarHBondContact O-CZ3 3.2Å; V100-L208 HydrophobicContact CG2-CD1 3.73Å; V100-L208 HydrophobicContact CG2-CD2 3.91Å; V100-L208 HydrophobicContact CG2-CG 3.67Å
101A98.3Very high98.2Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-67.9-37.8177.800000112.4L18 L97 L98 F104 Q105 P106 L143L18-A101 HydrophobicContact CD2-CB 3.88Å; L97-A101 HydrophobicContact CD1-CB 4.47Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.47Å; L98-A101 PolarHBondContact O-N 3.32Å; A101-F104 PolarHBondContact O-N 3.34Å; A101-Q105 PolarHBondContact O-N 3.44Å; A101-P106 WeakPolarHBondContact O-CD 3.35Å; A101-L143 HydrophobicContact CB-CD1 3.58Å; A101-L143 HydrophobicContact CB-CD2 3.88Å; A101-L143 HydrophobicContact CB-CG 4.4Å
102C96.8Very high98.2Very high11 Ų1110 Ų107%0.0745%0.05CC..Hα-helixtrans-65.3-40.2173.3-720000111.9L98 Q105L98-C102 WeakPolarHBondContact O-CB 3.43Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 2.89Å; L98-C102 VanDerWaalsContact O-SG 3.36Å; C102-Q105 WeakPolarHBondContact O-CG 3.21Å; C102-Q105 PolarHBondContact O-N 2.94Å
103E97.4Very high98.2Very high57 Ų5710.1 Ų10.127%0.2665%0.051SC..Hα-helixtrans-67.6-35.7173.1-173.4176.7169.700112.3P99 V100 W205 A206 S207P99-E103 PolarHBondContact O-N 3.22Å; P99-E103 VanDerWaalsContact O-N 3.14Å; V100-E103 PolarHBondContact O-N 2.99Å; E103-W205 HydrophobicContact CB-CE3 4.06Å; E103-W205 HydrophobicContact CB-CZ3 4.24Å; E103-W205 HydrophobicContact CG-CE3 3.96Å; E103-W205 HydrophobicContact CG-CZ3 4.29Å; E103-A206 VanDerWaalsContact CD-N 3.34Å; E103-A206 PolarHBondContact OE1-N 3.4Å; E103-A206 PolarHBondContact OE2-N 3.09Å; E103-S207 WeakPolarHBondContact OE2-CB 3.17Å; E103-S207 PolarHBondContact OE2-N 2.92Å; E103-S207 PolarHBondContact OE2-OG 2.61Å
104F97.9Very high98.2Very high9 Ų910.1 Ų10.14%0.0395%0.051CC..Hα-helixtrans-73.4-27.6177.8-173.6-115000113.5R16 V17 L41 V100 A101 P106 W205R16-F104 HydrophobicContact CB-CE1 3.85Å; R16-F104 HydrophobicContact CB-CZ 3.84Å; R16-F104 WeakPolarHBondContact CD-O 3.48Å; R16-F104 HydrophobicContact CG-CE2 4.47Å; R16-F104 HydrophobicContact CG-CZ 4.21Å; R16-F104 PolarHBondContact NE-O 3.39Å; V17-F104 WeakPolarHBondContact O-CE1 3.19Å; L41-F104 HydrophobicContact CB-CD1 3.69Å; L41-F104 HydrophobicContact CB-CD2 4.19Å; L41-F104 HydrophobicContact CB-CE1 3.52Å; L41-F104 HydrophobicContact CB-CE2 4.04Å; L41-F104 HydrophobicContact CB-CG 4.03Å; L41-F104 HydrophobicContact CB-CZ 3.7Å; L41-F104 HydrophobicContact CD2-CB 3.77Å; L41-F104 HydrophobicContact CD2-CD1 3.78Å; L41-F104 HydrophobicContact CD2-CD2 4.38Å; L41-F104 HydrophobicContact CD2-CE1 4.48Å; L41-F104 HydrophobicContact CD2-CG 3.72Å; L41-F104 HydrophobicContact CG-CD1 4.41Å; V100-F104 VanDerWaalsContact O-CB 3.29Å; V100-F104 WeakPolarHBondContact O-CB 3.22Å; V100-F104 PolarHBondContact O-N 3.04Å; A101-F104 PolarHBondContact O-N 3.34Å; F104-P106 HydrophobicContact CD1-CB 4.06Å; F104-P106 HydrophobicContact CE1-CB 4.28Å; F104-W205 HydrophobicContact CB-CH2 3.84Å; F104-W205 HydrophobicContact CB-CZ3 3.86Å; F104-W205 AromaticContact CD2-CH2 3.97Å; F104-W205 HydrophobicContact CD2-CH2 3.97Å; F104-W205 HydrophobicContact CG-CH2 4.23Å
105Q97.4Very high98.2Very high26 Ų2610.2 Ų10.212%0.1215%0.051CC..  trans48.563-177.7-56.9-172-72.800113R16 A101 C102 L569 A570 T571 F573R16-Q105 VanDerWaalsContact CZ-O 3.24Å; R16-Q105 PolarHBondContact NE-O 3.48Å; R16-Q105 PolarHBondContact NH2-O 2.66Å; A101-Q105 PolarHBondContact O-N 3.44Å; C102-Q105 WeakPolarHBondContact O-CG 3.21Å; C102-Q105 PolarHBondContact O-N 2.94Å; Q105-L569 PolarHBondContact NE2-O 3.25Å; Q105-A570 PolarHBondContact NE2-O 3.29Å; Q105-T571 PolarHBondContact NE2-OG1 3.29Å; Q105-T571 PolarHBondContact OE1-OG1 2.95Å; Q105-F573 HydrophobicContact CG-CB 4.01Å
106P98.1Very high98.2Very high8 Ų810.1 Ų10.15%0.0525%0.051CC..  trans-61147.4178.428.5-35.2000111.2L18 A101 F104 V109 L143 A144L18-P106 HydrophobicContact CB-CB 3.65Å; L18-P106 HydrophobicContact CB-CG 3.9Å; L18-P106 HydrophobicContact CD2-CG 4.31Å; A101-P106 WeakPolarHBondContact O-CD 3.35Å; F104-P106 HydrophobicContact CD1-CB 4.06Å; F104-P106 HydrophobicContact CE1-CB 4.28Å; P106-V109 HydrophobicContact CB-CG2 4.41Å; P106-V109 HydrophobicContact CG-CG2 4.04Å; P106-L143 HydrophobicContact CG-CB 4.21Å; P106-A144 WeakPolarHBondContact O-CA 3.23Å; P106-A144 VanDerWaalsContact O-CB 3.27Å; P106-A144 WeakPolarHBondContact O-CB 3.41Å
107Q98.2Very high98.2Very high59 Ų5910.1 Ų10.128%0.2765%0.051SC..SBendtrans-96.8-14.9175.2-67166.2-54.700112V14 R16 R147V14-Q107 HydrophobicContact CG1-CB 3.98Å; R16-Q107 PolarHBondContact O-N 3.35Å; Q107-R147 PolarHBondContact O-NE 3.36Å
108L98.6Very high98.2Very high27 Ų2710.1 Ų10.114%0.1415%0.051CC..EExtended strand (participates in β ladder)trans-147.9135.4173176.264.5000108.2A8 V14 L18 L110 R147 V149A8-L108 HydrophobicContact CB-CD2 3.56Å; V14-L108 HydrophobicContact CG1-CB 4.08Å; L18-L108 PolarHBondContact N-O 2.93Å; L108-L110 HydrophobicContact CD1-CD2 4.32Å; L108-L110 HydrophobicContact CD2-CD2 3.94Å; L108-L110 HydrophobicContact CD2-CG 4.32Å; L108-L110 HydrophobicContact CG-CD2 4Å; L108-L110 HydrophobicContact CG-CG 4.3Å; L108-R147 HydrophobicContact CD1-CB 4.42Å; L108-V149 HydrophobicContact CD1-CG2 4.31Å
109V98.8Very high98Very high0 Ų012.2 Ų12.20%07%0.068CC..EExtended strand (participates in β ladder)trans-110127.1172.3-176.10000108.4L18 V20 P106 V111 L143 A144 R147 L148 V149L18-V109 HydrophobicContact CB-CG2 4.41Å; L18-V109 HydrophobicContact CD2-CG1 4.13Å; L18-V109 HydrophobicContact CD2-CG2 4.33Å; L18-V109 HydrophobicContact CG-CG1 4.27Å; L18-V109 WeakPolarHBondContact O-CA 3.28Å; V20-V109 HydrophobicContact CG2-CG1 4.24Å; P106-V109 HydrophobicContact CB-CG2 4.41Å; P106-V109 HydrophobicContact CG-CG2 4.04Å; V109-V111 HydrophobicContact CG1-CG2 4.44Å; V109-L143 HydrophobicContact CG2-CB 3.74Å; V109-L143 HydrophobicContact CG2-CD1 4.32Å; V109-A144 HydrophobicContact CG2-CB 4.02Å; V109-R147 PolarHBondContact N-O 3.39Å; V109-L148 HydrophobicContact CB-CD1 3.66Å; V109-L148 HydrophobicContact CG1-CD1 3.44Å; V109-L148 VanDerWaalsContact CG1-CD1 3.44Å; V109-L148 WeakPolarHBondContact O-CA 3.08Å; V109-V149 PolarHBondContact O-N 3.46Å
110L98.9Very high97.8Very high3 Ų314.9 Ų14.92%0.01610%0.096CC..EExtended strand (participates in β ladder)trans-112.9135.2174.1-60.5-178.7000108.6M1 A4 A5 V17 L18 I19 V20 L108 V149M1-L110 HydrophobicContact CE-CB 4.2Å; M1-L110 HydrophobicContact CG-CB 4.19Å; M1-L110 HydrophobicContact SD-CB 3.94Å; M1-L110 HydrophobicContact SD-CD1 4.27Å; M1-L110 HydrophobicContact SD-CD2 4.42Å; M1-L110 HydrophobicContact SD-CG 4.45Å; A4-L110 HydrophobicContact CB-CD1 3.97Å; A5-L110 HydrophobicContact CB-CD1 3.85Å; V17-L110 HydrophobicContact CG1-CD1 3.95Å; V17-L110 HydrophobicContact CG1-CG 4.09Å; L18-L110 PolarHBondContact O-N 3.14Å; I19-L110 CarbonylContact C-O 3.55Å; I19-L110 VanDerWaalsContact CA-O 3.31Å; I19-L110 WeakPolarHBondContact CA-O 3.28Å; I19-L110 HydrophobicContact CG1-CB 4.34Å; I19-L110 HydrophobicContact CG1-CD1 4.43Å; V20-L110 PolarHBondContact N-O 2.97Å; L108-L110 HydrophobicContact CD1-CD2 4.32Å; L108-L110 HydrophobicContact CD2-CD2 3.94Å; L108-L110 HydrophobicContact CD2-CG 4.32Å; L108-L110 HydrophobicContact CG-CD2 4Å; L108-L110 HydrophobicContact CG-CG 4.3Å; L110-V149 CarbonylContact C-O 3.52Å; L110-V149 WeakPolarHBondContact CA-O 3.32Å; L110-V149 HydrophobicContact CD2-CB 3.86Å; L110-V149 HydrophobicContact CD2-CG2 4.4Å
111V98.9Very high97.7Very high0 Ų015 Ų150%010%0.097CC..EExtended strand (participates in β ladder)trans-117.4114.4177.4-172.20000110.1M1 V20 W22 V109 A113 L140 L148 V149 L150 A151M1-V111 WeakPolarHBondContact CE-O 3.34Å; V20-V111 HydrophobicContact CB-CG2 4.43Å; V20-V111 CarbonylContact O-C 3.6Å; V20-V111 VanDerWaalsContact O-CA 3.26Å; V20-V111 WeakPolarHBondContact O-CA 3.37Å; W22-V111 HydrophobicContact CD2-CG1 3.88Å; W22-V111 HydrophobicContact CE3-CG1 3.83Å; W22-V111 HydrophobicContact CH2-CG1 3.95Å; W22-V111 HydrophobicContact CZ2-CG1 4.01Å; W22-V111 HydrophobicContact CZ3-CG1 3.87Å; V109-V111 HydrophobicContact CG1-CG2 4.44Å; V111-A113 HydrophobicContact CG1-CB 4.1Å; V111-A113 PolarHBondContact O-N 2.86Å; V111-A113 VanDerWaalsContact O-N 3.14Å; V111-L140 HydrophobicContact CG2-CD1 3.68Å; V111-L148 HydrophobicContact CG2-CD1 3.63Å; V111-V149 PolarHBondContact N-O 3.09Å; V111-L150 HydrophobicContact CB-CD1 4.06Å; V111-L150 HydrophobicContact CB-CG 3.88Å; V111-L150 HydrophobicContact CG1-CG 4.37Å; V111-L150 HydrophobicContact CG2-CD1 3.85Å; V111-L150 HydrophobicContact CG2-CG 4.21Å; V111-A151 PolarHBondContact O-N 3.1Å
112S98.6Very high97.6Very high1 Ų119.1 Ų19.11%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-71.596.9161-88.30000106.8M1 V20 D21 W22 G114 E153M1-S112 WeakPolarHBondContact CB-OG 3.27Å; M1-S112 VanDerWaalsContact CG-OG 3.28Å; M1-S112 WeakPolarHBondContact CG-OG 3.4Å; V20-S112 PolarHBondContact O-N 2.97Å; D21-S112 WeakPolarHBondContact OD1-CB 3.43Å; W22-S112 PolarHBondContact N-O 3.18Å; S112-G114 PolarHBondContact O-N 2.82Å; S112-E153 PolarHBondContact OG-OE1 3.4Å
113A98.4Very high97.5Very high2 Ų223.8 Ų23.82%0.01714%0.143CC..EExtended strand (participates in β ladder)trans-98.975.9-16700000110.4W22 V111 F115 L150 A151 L152 E153W22-A113 HydrophobicContact CZ2-CB 3.93Å; V111-A113 HydrophobicContact CG1-CB 4.1Å; V111-A113 PolarHBondContact O-N 2.86Å; V111-A113 VanDerWaalsContact O-N 3.14Å; A113-F115 HydrophobicContact CB-CE2 4.09Å; A113-F115 HydrophobicContact CB-CZ 4.15Å; A113-F115 WeakPolarHBondContact O-CD2 3.46Å; A113-F115 VanDerWaalsContact O-CE2 3.27Å; A113-F115 WeakPolarHBondContact O-CE2 3.2Å; A113-L150 HydrophobicContact CB-CB 4.34Å; A113-L150 HydrophobicContact CB-CG 4.45Å; A113-A151 WeakPolarHBondContact CB-O 3.34Å; A113-A151 PolarHBondContact N-O 2.92Å; A113-L152 WeakPolarHBondContact O-CA 3.38Å; A113-E153 PolarHBondContact O-N 3.45Å; A113-E153 VanDerWaalsContact O-N 3.15Å
114G98.3Very high97.4Very high0 Ų021.1 Ų21.10%013%0.13CC..  trans-76.3143.6165.200000111.2W22 D23 S112 G154W22-G114 PolarHBondContact NE1-O 3.17Å; D23-G114 WeakPolarHBondContact OD2-CA 3.38Å; S112-G114 PolarHBondContact O-N 2.82Å; G114-G154 CarbonylContact C-O 3.49Å; G114-G154 WeakPolarHBondContact CA-O 3.26Å
115F98.6Very high97.4Very high4 Ų425.6 Ų25.62%0.01815%0.151CC..  trans-115.113.6177.3-62.5-82.7000112.8W22 A113 A117 A118 F133 L152 G154 T161 G164 V165W22-F115 HydrophobicContact CZ2-CE1 4.28Å; W22-F115 HydrophobicContact CZ2-CZ 4.36Å; A113-F115 HydrophobicContact CB-CE2 4.09Å; A113-F115 HydrophobicContact CB-CZ 4.15Å; A113-F115 WeakPolarHBondContact O-CD2 3.46Å; A113-F115 VanDerWaalsContact O-CE2 3.27Å; A113-F115 WeakPolarHBondContact O-CE2 3.2Å; F115-A117 PolarHBondContact O-N 3.26Å; F115-A118 WeakPolarHBondContact O-CB 3.44Å; F115-A118 PolarHBondContact O-N 3.18Å; F115-F133 HydrophobicContact CD1-CD1 4.06Å; F115-F133 AromaticContact CD1-CD2 3.8Å; F115-F133 HydrophobicContact CD1-CD2 3.8Å; F115-F133 HydrophobicContact CD1-CE1 4.1Å; F115-F133 AromaticContact CD1-CE2 3.87Å; F115-F133 HydrophobicContact CD1-CE2 3.87Å; F115-F133 AromaticContact CD1-CG 3.91Å; F115-F133 HydrophobicContact CD1-CG 3.91Å; F115-F133 HydrophobicContact CD1-CZ 4.01Å; F115-F133 HydrophobicContact CE1-CB 4.08Å; F115-F133 HydrophobicContact CE1-CD1 4.02Å; F115-F133 HydrophobicContact CE1-CD2 4.13Å; F115-F133 HydrophobicContact CE1-CE1 4.49Å; F115-F133 AromaticContact CE1-CG 3.82Å; F115-F133 HydrophobicContact CE1-CG 3.82Å; F115-L152 HydrophobicContact CD2-CD1 3.59Å; F115-L152 HydrophobicContact CE2-CD1 3.78Å; F115-G154 PolarHBondContact N-O 2.89Å; F115-T161 HydrophobicContact CB-CG2 4.17Å; F115-T161 HydrophobicContact CD2-CG2 4.24Å; F115-G164 WeakPolarHBondContact CE1-O 3.45Å; F115-V165 HydrophobicContact CD2-CG2 3.87Å; F115-V165 HydrophobicContact CE2-CB 4.49Å; F115-V165 HydrophobicContact CE2-CG2 3.4Å; F115-V165 VanDerWaalsContact CE2-CG2 3.4Å; F115-V165 HydrophobicContact CZ-CG2 3.87Å
116D97.9Very high97.4Very high0 Ų024.6 Ų24.60%015%0.147CC..THydrogen-bonded Turntrans-75.4-7.817548.99.5000113.8V24 H25 A118 D121 G124 Y156V24-D116 HydrophobicContact CB-CB 4.49Å; V24-D116 WeakPolarHBondContact CB-OD1 3.44Å; V24-D116 HydrophobicContact CG1-CB 3.83Å; V24-D116 WeakPolarHBondContact CG1-OD1 3.41Å; V24-D116 PolarHBondContact N-OD1 3.35Å; H25-D116 IonicContact CE1-OD2 3.19Å; H25-D116 PolarHBondContact CE1-OD2 3.04Å; H25-D116 IonicContact ND1-OD2 2.72Å; H25-D116 PolarHBondContact ND1-OD2 2.94Å; D116-A118 PolarHBondContact O-N 3.3Å; D116-D121 VanDerWaalsContact CA-CG 3.42Å; D116-D121 HydrophobicContact CB-CB 4.4Å; D116-D121 VanDerWaalsContact CB-CG 3.5Å; D116-D121 WeakPolarHBondContact CB-OD1 3.38Å; D116-D121 VanDerWaalsContact O-CB 3.28Å; D116-D121 WeakPolarHBondContact O-CB 3.29Å; D116-G124 VanDerWaalsContact O-CA 3.3Å; D116-G124 WeakPolarHBondContact O-CA 3.42Å; D116-Y156 HydrophobicContact CB-CD2 3.81Å; D116-Y156 HydrophobicContact CB-CE2 3.88Å; D116-Y156 WeakPolarHBondContact OD2-CE2 3.43Å
117A97.9Very high97.4Very high0 Ų027.1 Ų27.10%016%0.163CC..THydrogen-bonded Turntrans-73-8.7161.400000113.3V24 Y89 F115 M126 V128 F133V24-A117 HydrophobicContact CB-CB 4.28Å; V24-A117 HydrophobicContact CG2-CB 4.38Å; Y89-A117 HydrophobicContact CE1-CB 4.32Å; Y89-A117 WeakPolarHBondContact OH-CB 3.38Å; F115-A117 PolarHBondContact O-N 3.26Å; A117-M126 WeakPolarHBondContact O-CB 3.45Å; A117-V128 HydrophobicContact CB-CG2 4.5Å; A117-V128 VanDerWaalsContact O-CB 3.26Å; A117-V128 WeakPolarHBondContact O-CB 3.3Å; A117-V128 WeakPolarHBondContact O-CG2 3.45Å; A117-F133 HydrophobicContact CB-CZ 4.25Å
118A97.4Very high97.4Very high0 Ų024.3 Ų24.30%015%0.15CC..BIsolated β-bridgetrans-71.9149.6-178.900000113.1F115 D116 G120 D121 V128 F133 A160F115-A118 WeakPolarHBondContact O-CB 3.44Å; F115-A118 PolarHBondContact O-N 3.18Å; D116-A118 PolarHBondContact O-N 3.3Å; A118-G120 PolarHBondContact O-N 3.31Å; A118-D121 WeakPolarHBondContact O-CB 3.5Å; A118-D121 PolarHBondContact O-N 2.99Å; A118-D121 VanDerWaalsContact O-N 3.13Å; A118-V128 CarbonylContact C-O 3.56Å; A118-V128 VanDerWaalsContact CA-O 3.32Å; A118-V128 WeakPolarHBondContact CA-O 3.48Å; A118-F133 HydrophobicContact CB-CE2 4.08Å; A118-A160 HydrophobicContact CB-CB 3.78Å
119A95.6Very high97.3Very high45 Ų4526.1 Ų26.137%0.37216%0.158SC..THydrogen-bonded Turntrans-58.3122.8177.700000111.6M126 V128A119-M126 WeakPolarHBondContact CA-O 3.06Å; A119-V128 PolarHBondContact N-O 3.06Å
120G92.8Very high97.2Very high60 Ų6026.7 Ų26.762%0.61916%0.162SC*.THydrogen-bonded Turntrans99.7-10-178.500000114.9A118A118-G120 PolarHBondContact O-N 3.31Å
121D97.8Very high96.9Very high4 Ų430.3 Ų30.32%0.02118%0.178CC..  trans-64130.2176.9-172.7-82.3000112.2D116 A118 K123 G124 E125 Y156 D157D116-D121 VanDerWaalsContact CA-CG 3.42Å; D116-D121 HydrophobicContact CB-CB 4.4Å; D116-D121 VanDerWaalsContact CB-CG 3.5Å; D116-D121 WeakPolarHBondContact CB-OD1 3.38Å; D116-D121 VanDerWaalsContact O-CB 3.28Å; D116-D121 WeakPolarHBondContact O-CB 3.29Å; A118-D121 WeakPolarHBondContact O-CB 3.5Å; A118-D121 PolarHBondContact O-N 2.99Å; A118-D121 VanDerWaalsContact O-N 3.13Å; D121-K123 PolarHBondContact O-N 2.81Å; D121-K123 WeakPolarHBondContact OD1-CA 3.19Å; D121-K123 WeakPolarHBondContact OD1-CB 3.42Å; D121-K123 PolarHBondContact OD1-N 2.85Å; D121-G124 PolarHBondContact OD1-N 3.06Å; D121-G124 VanDerWaalsContact OD1-N 3.08Å; D121-E125 PolarHBondContact O-N 2.66Å; D121-Y156 WeakPolarHBondContact OD2-CA 3.41Å; D121-Y156 WeakPolarHBondContact OD2-CB 3.5Å; D121-Y156 PolarHBondContact OD2-N 3.22Å; D121-D157 PolarHBondContact OD2-N 2.98Å
122P95.1Very high96.9Very high85 Ų8530.3 Ų30.355%0.55218%0.178SC*.THydrogen-bonded Turntrans-77.51.7-174.433.1-38.6000115
123K95.7Very high96.9Very high110 Ų11030.2 Ų30.248%0.47818%0.178SC..THydrogen-bonded Turntrans-113.8-46.7176.6-58.3-57179.7-171.10112R47 F53 D121 Y156R47-K123 PolarHBondContact NH1-O 3.32Å; F53-K123 WeakPolarHBondContact CZ-O 3.36Å; D121-K123 PolarHBondContact O-N 2.81Å; D121-K123 WeakPolarHBondContact OD1-CA 3.19Å; D121-K123 WeakPolarHBondContact OD1-CB 3.42Å; D121-K123 PolarHBondContact OD1-N 2.85Å; K123-Y156 HydrophobicContact CB-CD2 3.9Å; K123-Y156 HydrophobicContact CB-CE2 4.19Å; K123-Y156 HydrophobicContact CG-CD2 3.45Å; K123-Y156 VanDerWaalsContact CG-CD2 3.45Å; K123-Y156 HydrophobicContact CG-CE2 3.88Å; K123-Y156 HydrophobicContact CG-CG 4.1Å
124G95.6Very high96.9Very high0 Ų030.6 Ų30.60%018%0.18CC..THydrogen-bonded Turntrans-71.2-38.2-179.800000113.8R47 D116 D121 M126R47-G124 WeakPolarHBondContact CD-O 3.26Å; D116-G124 VanDerWaalsContact O-CA 3.3Å; D116-G124 WeakPolarHBondContact O-CA 3.42Å; D121-G124 PolarHBondContact OD1-N 3.06Å; D121-G124 VanDerWaalsContact OD1-N 3.08Å; G124-M126 PolarHBondContact O-N 2.77Å
125E97.3Very high96.8Very high104 Ų10430.8 Ų30.849%0.48618%0.18SC..  trans52.931.8-172.5-60.7173.4-118.400112.7R47 T82 G83 D121R47-E125 IonicContact CZ-OE1 2.68Å; R47-E125 VanDerWaalsContact NH1-CD 3.28Å; R47-E125 IonicContact NH1-OE1 2.85Å; R47-E125 PolarHBondContact NH1-OE1 3.31Å; R47-E125 IonicContact NH2-OE1 3.08Å; R47-E125 PolarHBondContact NH2-OE1 3.35Å; R47-E125 VanDerWaalsContact NH2-OE1 3.08Å; R47-E125 IonicContact NH2-OE2 3.97Å; T82-E125 WeakPolarHBondContact CB-O 3.5Å; T82-E125 HydrophobicContact CG2-CB 3.78Å; G83-E125 PolarHBondContact N-O 2.75Å; D121-E125 PolarHBondContact O-N 2.66Å
126M98.1Very high96.8Very high5 Ų530.6 Ų30.63%0.02518%0.179CC..  trans-95.4175178.7-64.9-57.6170.600111.2V24 R47 W79 M84 A117 A119 G124V24-M126 HydrophobicContact CG2-CE 4.01Å; V24-M126 HydrophobicContact CG2-CG 3.81Å; R47-M126 HydrophobicContact CB-CE 3.63Å; R47-M126 HydrophobicContact CG-CE 3.89Å; W79-M126 HydrophobicContact CB-CE 4.18Å; M84-M126 HydrophobicContact CB-SD 3.63Å; M84-M126 HydrophobicContact CG-CE 4.4Å; M84-M126 HydrophobicContact CG-SD 3.73Å; M84-M126 PolarHBondContact N-SD 3.24Å; A117-M126 WeakPolarHBondContact O-CB 3.45Å; A119-M126 WeakPolarHBondContact CA-O 3.06Å; G124-M126 PolarHBondContact O-N 2.77Å
127C97.5Very high96.9Very high60 Ų6030.6 Ų30.641%0.40518%0.179SC..BIsolated β-bridgetrans-124.426.6-175.4-68.90000112.3M84M84-C127 CarbonylContact O-C 3.56Å; M84-C127 WeakPolarHBondContact O-CA 3.39Å; M84-C127 PolarHBondContact O-N 3.34Å
128V97.8Very high96.9Very high0 Ų031.5 Ų31.50%018%0.184CC..BIsolated β-bridgetrans-78.3125.6178.9-173.90000109.7M84 D86 Y89 A117 A118 A119 C132 F133M84-V128 PolarHBondContact O-N 3.49Å; D86-V128 WeakPolarHBondContact OD1-CA 3.48Å; Y89-V128 HydrophobicContact CD2-CG2 3.44Å; Y89-V128 VanDerWaalsContact CD2-CG2 3.44Å; Y89-V128 HydrophobicContact CE2-CG2 3.32Å; Y89-V128 HydrophobicContact CG-CG2 4.19Å; A117-V128 HydrophobicContact CB-CG2 4.5Å; A117-V128 VanDerWaalsContact O-CB 3.26Å; A117-V128 WeakPolarHBondContact O-CB 3.3Å; A117-V128 WeakPolarHBondContact O-CG2 3.45Å; A118-V128 CarbonylContact C-O 3.56Å; A118-V128 VanDerWaalsContact CA-O 3.32Å; A118-V128 WeakPolarHBondContact CA-O 3.48Å; A119-V128 PolarHBondContact N-O 3.06Å; V128-C132 HydrophobicContact CG1-CB 3.49Å; V128-C132 VanDerWaalsContact CG1-CB 3.49Å; V128-F133 HydrophobicContact CG1-CE2 4.26Å; V128-F133 HydrophobicContact CG1-CZ 4.35Å
129H97.1Very high96.9Very high66 Ų6631.7 Ų31.731%0.30619%0.185SC..  trans-71.4142.7174.4-62.678.2000109.9D86 Q131 C132 N181D86-H129 IonicContact OD1-CG 3.2Å; D86-H129 PolarHBondContact OD1-N 3.44Å; D86-H129 IonicContact OD1-ND1 3.67Å; D86-H129 PolarHBondContact OD1-ND1 3.43Å; D86-H129 IonicContact OD2-CG 2.7Å; D86-H129 IonicContact OD2-ND1 3.35Å; D86-H129 PolarHBondContact OD2-ND1 2.94Å; H129-Q131 PolarHBondContact O-N 2.83Å; H129-C132 WeakPolarHBondContact O-CB 3.16Å; H129-C132 PolarHBondContact O-N 3.11Å; H129-N181 WeakPolarHBondContact CB-ND2 3.27Å
130P95.3Very high97.1Very high12 Ų1229.6 Ų29.68%0.07817%0.167CC..THydrogen-bonded Turntrans-51.1-31.8175.7-31.438.1000114.3C132 F133 E163 A167P130-C132 VanDerWaalsContact C-N 3.27Å; P130-C132 PolarHBondContact O-N 3.01Å; P130-F133 WeakPolarHBondContact O-CD2 3.25Å; P130-F133 PolarHBondContact O-N 2.82Å; P130-E163 HydrophobicContact CB-CB 3.54Å; P130-E163 HydrophobicContact CG-CB 3.86Å; P130-A167 WeakPolarHBondContact O-CB 3.32Å
131Q94.6Very high97.3Very high78 Ų7828.3 Ų28.336%0.36415%0.146SC..THydrogen-bonded Turntrans-64.9-25.2176.4-67.374.222.700113.5H129 F133 H134 P178H129-Q131 PolarHBondContact O-N 2.83Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.22Å; Q131-H134 VanDerWaalsContact O-CB 3.28Å; Q131-H134 WeakPolarHBondContact O-CB 3.47Å; Q131-H134 PolarHBondContact O-N 3.19Å; Q131-P178 HydrophobicContact CB-CB 4.12Å; Q131-P178 HydrophobicContact CB-CG 3.86Å; Q131-P178 HydrophobicContact CG-CB 4.44Å; Q131-P178 WeakPolarHBondContact O-CG 3.47Å
132C97.9Very high97.2Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-62.3-35.2176.4-172.30000111.7D86 V128 H129 P130 H134 I135 L136D86-C132 HydrophobicContact CB-CB 4.23Å; V128-C132 HydrophobicContact CG1-CB 3.49Å; V128-C132 VanDerWaalsContact CG1-CB 3.49Å; H129-C132 WeakPolarHBondContact O-CB 3.16Å; H129-C132 PolarHBondContact O-N 3.11Å; P130-C132 VanDerWaalsContact C-N 3.27Å; P130-C132 PolarHBondContact O-N 3.01Å; C132-H134 PolarHBondContact O-N 2.74Å; C132-I135 WeakPolarHBondContact O-CA 3.16Å; C132-I135 WeakPolarHBondContact O-CB 3.38Å; C132-I135 PolarHBondContact O-N 3.37Å; C132-L136 PolarHBondContact O-N 3.19Å
133F98.3Very high97.3Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-64.2-25178.5-61.2-78.5000113.3W22 F115 A117 A118 V128 P130 Q131 I135 L136 T137W22-F133 AromaticContact CD1-CE1 3.79Å; W22-F133 HydrophobicContact CD2-CD1 4.07Å; W22-F133 HydrophobicContact CD2-CE1 4.38Å; W22-F133 AromaticContact CE2-CD1 3.61Å; W22-F133 HydrophobicContact CG-CD1 4.42Å; W22-F133 HydrophobicContact CG-CE1 4.25Å; W22-F133 HydrophobicContact CZ2-CB 4.43Å; W22-F133 AromaticContact CZ2-CD1 3.88Å; W22-F133 HydrophobicContact CZ2-CD1 3.88Å; W22-F133 AromaticContact NE1-CD1 3.63Å; W22-F133 AromaticContact NE1-CE1 3.64Å; F115-F133 HydrophobicContact CD1-CD1 4.06Å; F115-F133 AromaticContact CD1-CD2 3.8Å; F115-F133 HydrophobicContact CD1-CD2 3.8Å; F115-F133 HydrophobicContact CD1-CE1 4.1Å; F115-F133 AromaticContact CD1-CE2 3.87Å; F115-F133 HydrophobicContact CD1-CE2 3.87Å; F115-F133 AromaticContact CD1-CG 3.91Å; F115-F133 HydrophobicContact CD1-CG 3.91Å; F115-F133 HydrophobicContact CD1-CZ 4.01Å; F115-F133 HydrophobicContact CE1-CB 4.08Å; F115-F133 HydrophobicContact CE1-CD1 4.02Å; F115-F133 HydrophobicContact CE1-CD2 4.13Å; F115-F133 HydrophobicContact CE1-CE1 4.49Å; F115-F133 AromaticContact CE1-CG 3.82Å; F115-F133 HydrophobicContact CE1-CG 3.82Å; A117-F133 HydrophobicContact CB-CZ 4.25Å; A118-F133 HydrophobicContact CB-CE2 4.08Å; V128-F133 HydrophobicContact CG1-CE2 4.26Å; V128-F133 HydrophobicContact CG1-CZ 4.35Å; P130-F133 WeakPolarHBondContact O-CD2 3.25Å; P130-F133 PolarHBondContact O-N 2.82Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.22Å; F133-I135 VanDerWaalsContact C-N 3.35Å; F133-L136 HydrophobicContact CD1-CD1 4.36Å; F133-T137 VanDerWaalsContact O-CB 3.32Å; F133-T137 WeakPolarHBondContact O-CB 3.19Å; F133-T137 PolarHBondContact O-N 2.85Å; F133-T137 PolarHBondContact O-OG1 2.89Å
134H97.8Very high97.4Very high10 Ų1019.9 Ų19.95%0.04610%0.103CC..Hα-helixtrans-60.7-46.4167.6-173.3119.2000110.6Q131 C132 T137 H138 A167 T170 A171 G175 A176 P178Q131-H134 VanDerWaalsContact O-CB 3.28Å; Q131-H134 WeakPolarHBondContact O-CB 3.47Å; Q131-H134 PolarHBondContact O-N 3.19Å; C132-H134 PolarHBondContact O-N 2.74Å; H134-T137 WeakPolarHBondContact O-CB 3.4Å; H134-T137 PolarHBondContact O-N 3.24Å; H134-H138 WeakPolarHBondContact O-CB 3.43Å; H134-H138 PolarHBondContact O-N 3.2Å; H134-A167 HydrophobicContact CB-CB 4.12Å; H134-A167 PolarHBondContact CE1-O 3.32Å; H134-A167 PolarHBondContact ND1-O 2.9Å; H134-T170 WeakPolarHBondContact CE1-CB 3.3Å; H134-T170 VanDerWaalsContact CE1-CG2 3.48Å; H134-T170 WeakPolarHBondContact CE1-CG2 3.42Å; H134-T170 VanDerWaalsContact NE2-C 3.27Å; H134-T170 WeakPolarHBondContact NE2-CG2 3.22Å; H134-T170 PolarHBondContact NE2-O 3.28Å; H134-A171 HydrophobicContact CB-CB 4.49Å; H134-A171 PolarHBondContact CE1-N 3.21Å; H134-A171 PolarHBondContact ND1-N 3.07Å; H134-A171 PolarHBondContact NE2-N 3.34Å; H134-G175 WeakPolarHBondContact NE2-CA 3.24Å; H134-G175 PolarHBondContact NE2-O 3.21Å; H134-A176 PolarHBondContact NE2-O 2.93Å; H134-P178 HydrophobicContact CB-CG 4.15Å
135I97.9Very high97.4Very high3 Ų323.8 Ų23.82%0.01512%0.121CC..Hα-helixtrans-68-43-177.3-56.2-177.2000110.6I90 C132 F133 T137 H138 M139 P178 L180I90-I135 HydrophobicContact CD1-CD1 4.47Å; I90-I135 HydrophobicContact CD1-CG2 4.23Å; I90-I135 HydrophobicContact CG1-CG2 4.41Å; C132-I135 WeakPolarHBondContact O-CA 3.16Å; C132-I135 WeakPolarHBondContact O-CB 3.38Å; C132-I135 PolarHBondContact O-N 3.37Å; F133-I135 VanDerWaalsContact C-N 3.35Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 2.88Å; I135-H138 PolarHBondContact O-N 3.23Å; I135-M139 HydrophobicContact CG2-CE 3.79Å; I135-M139 WeakPolarHBondContact O-CG 3.49Å; I135-M139 PolarHBondContact O-N 2.82Å; I135-P178 HydrophobicContact CD1-CG 4.22Å; I135-P178 HydrophobicContact CG1-CG 4.03Å; I135-L180 HydrophobicContact CD1-CD2 3.45Å; I135-L180 VanDerWaalsContact CD1-CD2 3.45Å
136L98.6Very high97.3Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-62.9-39.7174.1-56.8-175.5000111.4W22 Y89 I90 F93 C132 F133 L140W22-L136 HydrophobicContact CE3-CB 3.98Å; W22-L136 HydrophobicContact CE3-CD1 4.16Å; W22-L136 HydrophobicContact CZ3-CB 3.72Å; Y89-L136 HydrophobicContact CD1-CD1 4.4Å; I90-L136 HydrophobicContact CG1-CD2 4.42Å; F93-L136 HydrophobicContact CB-CD2 4.5Å; F93-L136 HydrophobicContact CD1-CB 4.4Å; F93-L136 HydrophobicContact CD1-CD2 3.83Å; F93-L136 HydrophobicContact CD2-CD2 3.96Å; F93-L136 HydrophobicContact CE1-CB 3.85Å; F93-L136 HydrophobicContact CE1-CD2 3.97Å; F93-L136 HydrophobicContact CE1-CG 4.35Å; F93-L136 HydrophobicContact CE2-CD1 4.3Å; F93-L136 HydrophobicContact CE2-CD2 4.11Å; F93-L136 HydrophobicContact CG-CD2 3.84Å; F93-L136 HydrophobicContact CZ-CB 4.13Å; F93-L136 HydrophobicContact CZ-CD1 4.18Å; F93-L136 HydrophobicContact CZ-CD2 4.12Å; F93-L136 HydrophobicContact CZ-CG 4.36Å; C132-L136 PolarHBondContact O-N 3.19Å; F133-L136 HydrophobicContact CD1-CD1 4.36Å; L136-L140 WeakPolarHBondContact O-CG 3.49Å; L136-L140 PolarHBondContact O-N 2.9Å
137T98.8Very high97.3Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-62.4-49.6173.5-570000111.1W22 F133 H134 I135 M139 L140 M141 L148 C168 A171 L172W22-T137 WeakPolarHBondContact CH2-OG1 3.47Å; F133-T137 VanDerWaalsContact O-CB 3.32Å; F133-T137 WeakPolarHBondContact O-CB 3.19Å; F133-T137 PolarHBondContact O-N 2.85Å; F133-T137 PolarHBondContact O-OG1 2.89Å; H134-T137 WeakPolarHBondContact O-CB 3.4Å; H134-T137 PolarHBondContact O-N 3.24Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 2.88Å; T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.14Å; T137-L140 PolarHBondContact O-N 3.43Å; T137-L140 VanDerWaalsContact O-N 3.09Å; T137-M141 HydrophobicContact CG2-SD 4.24Å; T137-M141 WeakPolarHBondContact O-CG 3.08Å; T137-M141 PolarHBondContact O-N 3.36Å; T137-M141 VanDerWaalsContact O-N 3.07Å; T137-L148 HydrophobicContact CG2-CD2 3.89Å; T137-C168 PolarHBondContact OG1-SG 3.22Å; T137-C168 VanDerWaalsContact OG1-SG 3.38Å; T137-A171 HydrophobicContact CG2-CB 3.72Å; T137-L172 HydrophobicContact CG2-CD2 4.02Å; T137-L172 HydrophobicContact CG2-CG 4.05Å
138H98.1Very high97.3Very high19 Ų1922.8 Ų22.89%0.08811%0.114CC..Hα-helixtrans-55.9-45.8177.3176.982.2000111.7H134 I135 L140 M141 C177 H527H134-H138 WeakPolarHBondContact O-CB 3.43Å; H134-H138 PolarHBondContact O-N 3.2Å; I135-H138 PolarHBondContact O-N 3.23Å; H138-L140 VanDerWaalsContact C-N 3.29Å; H138-L140 PolarHBondContact O-N 3.45Å; H138-M141 WeakPolarHBondContact O-CB 3.45Å; H138-M141 PolarHBondContact O-N 3.46Å; H138-M141 VanDerWaalsContact O-N 3.11Å; H138-C177 VanDerWaalsContact CG-SG 3.52Å; H138-H527 AromaticContact CD2-NE2 3.77Å; H138-H527 AromaticContact CE1-CE1 3.36Å; H138-H527 PolarHBondContact CE1-CE1 2.97Å; H138-H527 AromaticContact CE1-ND1 3.8Å; H138-H527 AromaticContact CE1-NE2 3.57Å; H138-H527 AromaticContact ND1-CE1 3.8Å; H138-H527 AromaticContact ND1-NE2 4Å; H138-H527 AromaticContact NE2-CD2 3.7Å; H138-H527 AromaticContact NE2-CE1 3.69Å; H138-H527 AromaticContact NE2-NE2 3.42Å; H138-H527 PolarHBondContact NE2-NE2 2.84Å; H138-H527 PolarHBondContact NE2-O 3.48Å; H138-H527 PolarHBondContact O-NE2 2.97Å
139M98.4Very high97.4Very high5 Ų526.3 Ų26.33%0.02514%0.135CC..Hα-helixtrans-55.5-42.9175.9-76.5175.3-178.200112.4I90 F93 Q94 L98 I135 T137 S142I90-M139 HydrophobicContact CG1-CE 4.47Å; I90-M139 HydrophobicContact CG2-CE 4.13Å; F93-M139 HydrophobicContact CB-SD 3.88Å; F93-M139 HydrophobicContact CD1-CB 4.35Å; F93-M139 HydrophobicContact CD1-SD 4.18Å; F93-M139 HydrophobicContact CG-SD 4.43Å; Q94-M139 HydrophobicContact CG-CE 4.36Å; L98-M139 HydrophobicContact CD1-CB 4.15Å; L98-M139 HydrophobicContact CD1-CG 4.19Å; L98-M139 HydrophobicContact CD1-SD 4.31Å; L98-M139 HydrophobicContact CD2-CB 4.34Å; I135-M139 HydrophobicContact CG2-CE 3.79Å; I135-M139 WeakPolarHBondContact O-CG 3.49Å; I135-M139 PolarHBondContact O-N 2.82Å; T137-M139 VanDerWaalsContact C-N 3.34Å; T137-M139 PolarHBondContact O-N 3.14Å; M139-S142 PolarHBondContact O-N 3.12Å; M139-S142 PolarHBondContact O-OG 3.15Å
140L98.6Very high97.4Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-73.5-22179-62.7177.1000114V20 W22 F93 L97 V111 L136 T137 H138 S142 L143 L148V20-L140 HydrophobicContact CB-CD1 4.18Å; V20-L140 HydrophobicContact CG1-CD1 4.19Å; V20-L140 HydrophobicContact CG2-CD1 3.96Å; V20-L140 HydrophobicContact CG2-CD2 3.88Å; W22-L140 HydrophobicContact CZ3-CD1 4.35Å; F93-L140 HydrophobicContact CE1-CD1 4.26Å; F93-L140 HydrophobicContact CE1-CD2 4.19Å; F93-L140 HydrophobicContact CE1-CG 4.12Å; L97-L140 HydrophobicContact CD2-CD2 4.04Å; V111-L140 HydrophobicContact CG2-CD1 3.68Å; L136-L140 WeakPolarHBondContact O-CG 3.49Å; L136-L140 PolarHBondContact O-N 2.9Å; T137-L140 PolarHBondContact O-N 3.43Å; T137-L140 VanDerWaalsContact O-N 3.09Å; H138-L140 VanDerWaalsContact C-N 3.29Å; H138-L140 PolarHBondContact O-N 3.45Å; L140-S142 PolarHBondContact O-N 3.1Å; L140-L143 HydrophobicContact CD2-CD1 3.97Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 3.44Å; L140-L148 HydrophobicContact CB-CD1 4Å; L140-L148 HydrophobicContact CB-CD2 4.09Å; L140-L148 HydrophobicContact CD1-CD1 4.41Å
141M97.7Very high97.6Very high34 Ų3426.5 Ų26.517%0.16714%0.143CC..Hα-helixtrans-66.8-16.3175.9-69.9167.166.700113.5T137 H138 L143 G146 L148 A171T137-M141 HydrophobicContact CG2-SD 4.24Å; T137-M141 WeakPolarHBondContact O-CG 3.08Å; T137-M141 PolarHBondContact O-N 3.36Å; T137-M141 VanDerWaalsContact O-N 3.07Å; H138-M141 WeakPolarHBondContact O-CB 3.45Å; H138-M141 PolarHBondContact O-N 3.46Å; H138-M141 VanDerWaalsContact O-N 3.11Å; M141-L143 PolarHBondContact O-N 3.14Å; M141-G146 WeakPolarHBondContact O-CA 3.42Å; M141-G146 PolarHBondContact O-N 3.29Å; M141-L148 HydrophobicContact CG-CD2 3.68Å; M141-A171 WeakPolarHBondContact CE-O 3.38Å; M141-A171 HydrophobicContact SD-CB 4.46Å
142S95.4Very high97.8Very high6 Ų627.9 Ų27.94%0.04215%0.153CC..THydrogen-bonded Turntrans-65.4-25.1169.464.50000113.2M139 L140 H524M139-S142 PolarHBondContact O-N 3.12Å; M139-S142 PolarHBondContact O-OG 3.15Å; L140-S142 PolarHBondContact O-N 3.1Å; S142-H524 PolarHBondContact O-CE1 3.2Å
143L97.3Very high97.8Very high8 Ų832.3 Ų32.34%0.04217%0.173CC..THydrogen-bonded Turntrans-90.9152.6-173.5-57.7170.7000110.8L18 A101 P106 V109 L140 M141 E145 G146L18-L143 HydrophobicContact CD2-CD1 3.75Å; A101-L143 HydrophobicContact CB-CD1 3.58Å; A101-L143 HydrophobicContact CB-CD2 3.88Å; A101-L143 HydrophobicContact CB-CG 4.4Å; P106-L143 HydrophobicContact CG-CB 4.21Å; V109-L143 HydrophobicContact CG2-CB 3.74Å; V109-L143 HydrophobicContact CG2-CD1 4.32Å; L140-L143 HydrophobicContact CD2-CD1 3.97Å; L140-L143 WeakPolarHBondContact O-CB 3.46Å; L140-L143 PolarHBondContact O-N 3.44Å; M141-L143 PolarHBondContact O-N 3.14Å; L143-E145 PolarHBondContact O-N 2.95Å; L143-E145 VanDerWaalsContact O-N 3.08Å; L143-G146 PolarHBondContact O-N 3.04Å
144A96.9Very high97.6Very high8 Ų832.5 Ų32.57%0.06618%0.175CC..G310 helixtrans53.230.117400000114.8P106 V109 G146 R147P106-A144 WeakPolarHBondContact O-CA 3.23Å; P106-A144 VanDerWaalsContact O-CB 3.27Å; P106-A144 WeakPolarHBondContact O-CB 3.41Å; V109-A144 HydrophobicContact CG2-CB 4.02Å; A144-G146 VanDerWaalsContact C-N 3.27Å; A144-G146 PolarHBondContact O-N 3.28Å; A144-R147 HydrophobicContact CB-CB 4.15Å; A144-R147 VanDerWaalsContact O-CB 3.24Å; A144-R147 WeakPolarHBondContact O-CB 3.21Å; A144-R147 VanDerWaalsContact O-CG 3.28Å; A144-R147 WeakPolarHBondContact O-CG 3.36Å; A144-R147 PolarHBondContact O-N 3.32Å; A144-R147 VanDerWaalsContact O-N 3.08Å; A144-R147 PolarHBondContact O-NE 2.98Å; A144-R147 VanDerWaalsContact O-NE 3.09Å; A144-R147 PolarHBondContact O-NH2 3.05Å
145E95.6Very high97.6Very high82 Ų8232.8 Ų32.838%0.38318%0.181SC..G310 helixtrans52.843-173.9-55.7148.6-103.700112.3L143 R147 S568L143-E145 PolarHBondContact O-N 2.95Å; L143-E145 VanDerWaalsContact O-N 3.08Å; E145-R147 PolarHBondContact O-N 2.9Å; E145-R147 IonicContact OE1-CZ 3.28Å; E145-R147 IonicContact OE1-NH1 3.22Å; E145-R147 PolarHBondContact OE1-NH1 3.28Å; E145-R147 IonicContact OE1-NH2 3.22Å; E145-R147 PolarHBondContact OE1-NH2 3.37Å; E145-R147 IonicContact OE2-NH1 2.9Å; E145-R147 PolarHBondContact OE2-NH1 2.85Å; E145-S568 PolarHBondContact OE1-OG 2.97Å
146G95.8Very high97.6Very high28 Ų2838.4 Ų38.429%0.28920%0.203SC..G310 helixtrans72.37.6-17900000115.1M141 L143 A144 L148M141-G146 WeakPolarHBondContact O-CA 3.42Å; M141-G146 PolarHBondContact O-N 3.29Å; L143-G146 PolarHBondContact O-N 3.04Å; A144-G146 VanDerWaalsContact C-N 3.27Å; A144-G146 PolarHBondContact O-N 3.28Å; G146-L148 PolarHBondContact O-N 3.3Å
147R97.8Very high97.6Very high100 Ų10041.1 Ų41.138%0.37722%0.217SC..  trans-72.779.5175.3-65.2-178.1-66.4-93.7-5.6110.8Q107 L108 V109 A144 E145Q107-R147 PolarHBondContact O-NE 3.36Å; L108-R147 HydrophobicContact CD1-CB 4.42Å; V109-R147 PolarHBondContact N-O 3.39Å; A144-R147 HydrophobicContact CB-CB 4.15Å; A144-R147 VanDerWaalsContact O-CB 3.24Å; A144-R147 WeakPolarHBondContact O-CB 3.21Å; A144-R147 VanDerWaalsContact O-CG 3.28Å; A144-R147 WeakPolarHBondContact O-CG 3.36Å; A144-R147 PolarHBondContact O-N 3.32Å; A144-R147 VanDerWaalsContact O-N 3.08Å; A144-R147 PolarHBondContact O-NE 2.98Å; A144-R147 VanDerWaalsContact O-NE 3.09Å; A144-R147 PolarHBondContact O-NH2 3.05Å; E145-R147 PolarHBondContact O-N 2.9Å; E145-R147 IonicContact OE1-CZ 3.28Å; E145-R147 IonicContact OE1-NH1 3.22Å; E145-R147 PolarHBondContact OE1-NH1 3.28Å; E145-R147 IonicContact OE1-NH2 3.22Å; E145-R147 PolarHBondContact OE1-NH2 3.37Å; E145-R147 IonicContact OE2-NH1 2.9Å; E145-R147 PolarHBondContact OE2-NH1 2.85Å
148L98.3Very high97.5Very high20 Ų2048.3 Ų48.311%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-119.8129.8-172.7-176.361.9000110.6V109 V111 T137 L140 M141 G146 L150 L172V109-L148 HydrophobicContact CB-CD1 3.66Å; V109-L148 HydrophobicContact CG1-CD1 3.44Å; V109-L148 VanDerWaalsContact CG1-CD1 3.44Å; V109-L148 WeakPolarHBondContact O-CA 3.08Å; V111-L148 HydrophobicContact CG2-CD1 3.63Å; T137-L148 HydrophobicContact CG2-CD2 3.89Å; L140-L148 HydrophobicContact CB-CD1 4Å; L140-L148 HydrophobicContact CB-CD2 4.09Å; L140-L148 HydrophobicContact CD1-CD1 4.41Å; M141-L148 HydrophobicContact CG-CD2 3.68Å; G146-L148 PolarHBondContact O-N 3.3Å; L148-L150 HydrophobicContact CD1-CD1 4.09Å; L148-L150 HydrophobicContact CD2-CD1 4Å; L148-L150 HydrophobicContact CG-CD1 3.66Å; L148-L172 HydrophobicContact CD2-CD2 4Å; L148-L172 HydrophobicContact CG-CD2 4.39Å
149V98.6Very high97.5Very high74 Ų7453.1 Ų53.145%0.44828%0.278SS..EExtended strand (participates in β ladder)trans-129.5118.5176.1-178.30000110M1 L108 V109 L110 V111M1-V149 WeakPolarHBondContact CE-O 3.33Å; L108-V149 HydrophobicContact CD1-CG2 4.31Å; V109-V149 PolarHBondContact O-N 3.46Å; L110-V149 CarbonylContact C-O 3.52Å; L110-V149 WeakPolarHBondContact CA-O 3.32Å; L110-V149 HydrophobicContact CD2-CB 3.86Å; L110-V149 HydrophobicContact CD2-CG2 4.4Å; V111-V149 PolarHBondContact N-O 3.09Å
150L98.7Very high97.3Very high40 Ų4053.2 Ų53.221%0.20928%0.279CS..EExtended strand (participates in β ladder)trans-95.5141.1173.3-76.657.5000109.3W22 V111 A113 L148 C168 L172W22-L150 HydrophobicContact CH2-CD2 4.24Å; W22-L150 HydrophobicContact CZ2-CD2 4.42Å; V111-L150 HydrophobicContact CB-CD1 4.06Å; V111-L150 HydrophobicContact CB-CG 3.88Å; V111-L150 HydrophobicContact CG1-CG 4.37Å; V111-L150 HydrophobicContact CG2-CD1 3.85Å; V111-L150 HydrophobicContact CG2-CG 4.21Å; A113-L150 HydrophobicContact CB-CB 4.34Å; A113-L150 HydrophobicContact CB-CG 4.45Å; L148-L150 HydrophobicContact CD1-CD1 4.09Å; L148-L150 HydrophobicContact CD2-CD1 4Å; L148-L150 HydrophobicContact CG-CD1 3.66Å; L150-C168 HydrophobicContact CD2-CB 3.52Å; L150-L172 HydrophobicContact CD1-CD1 4.42Å; L150-L172 HydrophobicContact CD1-CD2 4.49Å; L150-L172 HydrophobicContact CD2-CD1 4.31Å
151A98.5Very high97.3Very high41 Ų4154 Ų5434%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-133.2135.3163.500000109.3M1 V111 A113M1-A151 HydrophobicContact CE-CB 3.43Å; M1-A151 VanDerWaalsContact CE-CB 3.43Å; M1-A151 VanDerWaalsContact CE-N 3.3Å; M1-A151 HydrophobicContact SD-CB 4.3Å; V111-A151 PolarHBondContact O-N 3.1Å; A113-A151 WeakPolarHBondContact CB-O 3.34Å; A113-A151 PolarHBondContact N-O 2.92Å
152L98.4Very high97.3Very high107 Ų10755.2 Ų55.256%0.5630%0.299SS*.EExtended strand (participates in β ladder)trans-60.9132.1178.3-179.666.1000110.6A113 F115 T161 V165A113-L152 WeakPolarHBondContact O-CA 3.38Å; F115-L152 HydrophobicContact CD2-CD1 3.59Å; F115-L152 HydrophobicContact CE2-CD1 3.78Å; L152-T161 HydrophobicContact CD1-CG2 4.21Å; L152-V165 HydrophobicContact CD1-CG2 4.32Å
153E97.7Very high97.4Very high93 Ų9358.5 Ų58.544%0.43531%0.314SS..  trans-117.2-105.1170.3-55.3-84.3-166.400108.4M1 S112 A113M1-E153 PolarHBondContact N-OE1 3.31Å; S112-E153 PolarHBondContact OG-OE1 3.4Å; A113-E153 PolarHBondContact O-N 3.45Å; A113-E153 VanDerWaalsContact O-N 3.15Å
154G95.4Very high97.4Very high4 Ų458.1 Ų58.14%0.04131%0.312CS..  trans-76.5-179.8175.900000116D23 G114 F115D23-G154 VanDerWaalsContact OD2-CA 3.23Å; D23-G154 WeakPolarHBondContact OD2-CA 3.5Å; D23-G154 PolarHBondContact OD2-N 2.96Å; G114-G154 CarbonylContact C-O 3.49Å; G114-G154 WeakPolarHBondContact CA-O 3.26Å; F115-G154 PolarHBondContact N-O 2.89Å
155G97.4Very high97.5Very high17 Ų1760.4 Ų60.418%0.17533%0.325CS..  trans128.3106-174.200000111.3T161G155-T161 VanDerWaalsContact CA-OG1 3.25Å; G155-T161 WeakPolarHBondContact CA-OG1 3.48Å
156Y97.6Very high97.6Very high120 Ų12059 Ų5947%0.47133%0.327SS..  trans-122.6-18.2-167.1-49.8-72.7000113.8D116 D121 K123D116-Y156 HydrophobicContact CB-CD2 3.81Å; D116-Y156 HydrophobicContact CB-CE2 3.88Å; D116-Y156 WeakPolarHBondContact OD2-CE2 3.43Å; D121-Y156 WeakPolarHBondContact OD2-CA 3.41Å; D121-Y156 WeakPolarHBondContact OD2-CB 3.5Å; D121-Y156 PolarHBondContact OD2-N 3.22Å; K123-Y156 HydrophobicContact CB-CD2 3.9Å; K123-Y156 HydrophobicContact CB-CE2 4.19Å; K123-Y156 HydrophobicContact CG-CD2 3.45Å; K123-Y156 VanDerWaalsContact CG-CD2 3.45Å; K123-Y156 HydrophobicContact CG-CE2 3.88Å; K123-Y156 HydrophobicContact CG-CG 4.1Å
157D97.9Very high97.6Very high57 Ų5758.1 Ų58.131%0.30532%0.317SS..SBendtrans-77.7117.6152.8-174.2-85.1000110D121 Q159 A160 T161D121-D157 PolarHBondContact OD2-N 2.98Å; D157-Q159 VanDerWaalsContact C-N 3.31Å; D157-Q159 PolarHBondContact O-N 3.33Å; D157-Q159 WeakPolarHBondContact OD1-CA 3.37Å; D157-Q159 WeakPolarHBondContact OD1-CB 3.49Å; D157-Q159 PolarHBondContact OD1-N 3.48Å; D157-A160 HydrophobicContact CB-CB 4.14Å; D157-A160 PolarHBondContact OD1-N 3.1Å; D157-T161 WeakPolarHBondContact O-CB 3.34Å; D157-T161 PolarHBondContact O-N 3.4Å; D157-T161 PolarHBondContact O-OG1 3.25Å
158L97.5Very high97.6Very high151 Ų15153.5 Ų53.579%0.79130%0.3SS*.Hα-helixtrans-65.9-32-173.3-61.5178000113.1A162L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 3.34Å
159Q97.1Very high97.6Very high120 Ų12055.9 Ų55.956%0.56132%0.316SS*.Hα-helixtrans-79.8-50.4-176.8-17663.830.600110D157 T161 A162 E163D157-Q159 VanDerWaalsContact C-N 3.31Å; D157-Q159 PolarHBondContact O-N 3.33Å; D157-Q159 WeakPolarHBondContact OD1-CA 3.37Å; D157-Q159 WeakPolarHBondContact OD1-CB 3.49Å; D157-Q159 PolarHBondContact OD1-N 3.48Å; Q159-T161 VanDerWaalsContact C-N 3.28Å; Q159-T161 PolarHBondContact O-N 2.95Å; Q159-A162 PolarHBondContact O-N 3.05Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.14Å; Q159-E163 PolarHBondContact NE2-OE1 2.91Å; Q159-E163 WeakPolarHBondContact O-CG 3.11Å; Q159-E163 PolarHBondContact O-N 2.93Å
160A95.8Very high97.4Very high7 Ų754.3 Ų54.36%0.05831%0.306CS..Hα-helixtrans-61.5-37.4177.800000111.9A118 D157 E163 G164A118-A160 HydrophobicContact CB-CB 3.78Å; D157-A160 HydrophobicContact CB-CB 4.14Å; D157-A160 PolarHBondContact OD1-N 3.1Å; A160-E163 PolarHBondContact O-N 3.17Å; A160-G164 PolarHBondContact O-N 3.48Å
161T98.2Very high97.2Very high18 Ų1852.5 Ų52.511%0.1130%0.297CS..Hα-helixtrans-63.4-47.2173.5-580000111.7F115 L152 G155 D157 Q159 E163 G164 V165F115-T161 HydrophobicContact CB-CG2 4.17Å; F115-T161 HydrophobicContact CD2-CG2 4.24Å; L152-T161 HydrophobicContact CD1-CG2 4.21Å; G155-T161 VanDerWaalsContact CA-OG1 3.25Å; G155-T161 WeakPolarHBondContact CA-OG1 3.48Å; D157-T161 WeakPolarHBondContact O-CB 3.34Å; D157-T161 PolarHBondContact O-N 3.4Å; D157-T161 PolarHBondContact O-OG1 3.25Å; Q159-T161 VanDerWaalsContact C-N 3.28Å; Q159-T161 PolarHBondContact O-N 2.95Å; T161-E163 PolarHBondContact O-N 3.01Å; T161-G164 PolarHBondContact O-N 3.19Å; T161-V165 WeakPolarHBondContact O-CG2 3.4Å; T161-V165 PolarHBondContact O-N 3.44Å
162A98Very high97.1Very high58 Ų5854.1 Ų54.148%0.47930%0.3SS..Hα-helixtrans-64.2-39.9178.600000112.3L158 Q159 A166L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 3.34Å; Q159-A162 PolarHBondContact O-N 3.05Å; A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 2.98Å
163E97.1Very high96.9Very high76 Ų7654.4 Ų54.436%0.35530%0.301SS..Hα-helixtrans-66.9-39.6175.3-71.6179-163.900112.2P130 Q159 A160 T161 A166 A167P130-E163 HydrophobicContact CB-CB 3.54Å; P130-E163 HydrophobicContact CG-CB 3.86Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.14Å; Q159-E163 PolarHBondContact NE2-OE1 2.91Å; Q159-E163 WeakPolarHBondContact O-CG 3.11Å; Q159-E163 PolarHBondContact O-N 2.93Å; A160-E163 PolarHBondContact O-N 3.17Å; T161-E163 PolarHBondContact O-N 3.01Å; E163-A166 PolarHBondContact O-N 3.38Å; E163-A167 WeakPolarHBondContact O-CB 3.22Å; E163-A167 PolarHBondContact O-N 3.39Å
164G97.4Very high96.5Very high0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-65.7-44.2176.700000112.2F115 A160 T161 A166 A167 C168F115-G164 WeakPolarHBondContact CE1-O 3.45Å; A160-G164 PolarHBondContact O-N 3.48Å; T161-G164 PolarHBondContact O-N 3.19Å; G164-A166 VanDerWaalsContact C-N 3.34Å; G164-A166 PolarHBondContact O-N 2.83Å; G164-A167 WeakPolarHBondContact O-CB 3.19Å; G164-A167 PolarHBondContact O-N 3.46Å; G164-C168 PolarHBondContact O-N 3.11Å; G164-C168 PolarHBondContact O-SG 3.31Å; G164-C168 VanDerWaalsContact O-SG 3.39Å
165V98.4Very high96.3Very high55 Ų5551.1 Ų51.133%0.33329%0.292SS..Hα-helixtrans-59.3-44.9172171.40000110.9F115 L152 T161 A167 C168 V169F115-V165 HydrophobicContact CD2-CG2 3.87Å; F115-V165 HydrophobicContact CE2-CB 4.49Å; F115-V165 HydrophobicContact CE2-CG2 3.4Å; F115-V165 VanDerWaalsContact CE2-CG2 3.4Å; F115-V165 HydrophobicContact CZ-CG2 3.87Å; L152-V165 HydrophobicContact CD1-CG2 4.32Å; T161-V165 WeakPolarHBondContact O-CG2 3.4Å; T161-V165 PolarHBondContact O-N 3.44Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 3.26Å; V165-C168 PolarHBondContact O-N 3.45Å; V165-V169 HydrophobicContact CG1-CG2 4.42Å; V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 2.73Å
166A97.3Very high96Very high52 Ų5251.8 Ų51.843%0.4330%0.296SS..Hα-helixtrans-63.7-38.4177.900000112.4A162 E163 G164 V169 T170A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 2.98Å; E163-A166 PolarHBondContact O-N 3.38Å; G164-A166 VanDerWaalsContact C-N 3.34Å; G164-A166 PolarHBondContact O-N 2.83Å; A166-V169 PolarHBondContact O-N 2.8Å; A166-T170 WeakPolarHBondContact O-CB 3.38Å; A166-T170 PolarHBondContact O-N 2.74Å; A166-T170 PolarHBondContact O-OG1 2.61Å
167A96.7Very high95.7Very high10 Ų1046.3 Ų46.38%0.08328%0.275CS..Hα-helixtrans-61.8-47.7175.100000111.8P130 H134 E163 G164 V165 T170 A171P130-A167 WeakPolarHBondContact O-CB 3.32Å; H134-A167 HydrophobicContact CB-CB 4.12Å; H134-A167 PolarHBondContact CE1-O 3.32Å; H134-A167 PolarHBondContact ND1-O 2.9Å; E163-A167 WeakPolarHBondContact O-CB 3.22Å; E163-A167 PolarHBondContact O-N 3.39Å; G164-A167 WeakPolarHBondContact O-CB 3.19Å; G164-A167 PolarHBondContact O-N 3.46Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 3.26Å; A167-T170 PolarHBondContact O-N 3.2Å; A167-A171 PolarHBondContact O-N 2.93Å; A167-A171 VanDerWaalsContact O-N 3.13Å
168C98Very high95.4Very high3 Ų344.8 Ų44.82%0.0227%0.269CS..Hα-helixtrans-60.4-46.2174.3-690000113T137 L150 G164 V165 T170 A171 L172T137-C168 PolarHBondContact OG1-SG 3.22Å; T137-C168 VanDerWaalsContact OG1-SG 3.38Å; L150-C168 HydrophobicContact CD2-CB 3.52Å; G164-C168 PolarHBondContact O-N 3.11Å; G164-C168 PolarHBondContact O-SG 3.31Å; G164-C168 VanDerWaalsContact O-SG 3.39Å; V165-C168 PolarHBondContact O-N 3.45Å; C168-T170 VanDerWaalsContact C-N 3.28Å; C168-T170 PolarHBondContact O-N 2.77Å; C168-A171 WeakPolarHBondContact O-CB 3.37Å; C168-A171 PolarHBondContact O-N 3.24Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 2.88Å
169V97.1Very high95.1Very high70 Ų7038.9 Ų38.942%0.42424%0.239SC..Hα-helixtrans-63.6-36.2178.3170.30000111.1V165 A166 L172 L173V165-V169 HydrophobicContact CG1-CG2 4.42Å; V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 2.73Å; A166-V169 PolarHBondContact O-N 2.8Å; V169-L172 PolarHBondContact O-N 3.45Å; V169-L173 HydrophobicContact CG1-CD1 3.8Å; V169-L173 HydrophobicContact CG1-CG 4.37Å; V169-L173 WeakPolarHBondContact O-CB 3.25Å; V169-L173 VanDerWaalsContact O-CG 3.25Å; V169-L173 WeakPolarHBondContact O-CG 3.4Å; V169-L173 PolarHBondContact O-N 2.86Å
170T94.9Very high94.7Very high41 Ų4133.7 Ų33.725%0.25222%0.216SC..Hα-helixtrans-63.9-40.6175.6-53.90000111.5H134 A166 A167 C168 L173 G175H134-T170 WeakPolarHBondContact CE1-CB 3.3Å; H134-T170 VanDerWaalsContact CE1-CG2 3.48Å; H134-T170 WeakPolarHBondContact CE1-CG2 3.42Å; H134-T170 VanDerWaalsContact NE2-C 3.27Å; H134-T170 WeakPolarHBondContact NE2-CG2 3.22Å; H134-T170 PolarHBondContact NE2-O 3.28Å; A166-T170 WeakPolarHBondContact O-CB 3.38Å; A166-T170 PolarHBondContact O-N 2.74Å; A166-T170 PolarHBondContact O-OG1 2.61Å; A167-T170 PolarHBondContact O-N 3.2Å; C168-T170 VanDerWaalsContact C-N 3.28Å; C168-T170 PolarHBondContact O-N 2.77Å; T170-L173 PolarHBondContact O-N 3.28Å; T170-G175 WeakPolarHBondContact O-CA 3.5Å; T170-G175 PolarHBondContact O-N 2.88Å
171A95.4Very high94.3Very high3 Ų335.5 Ų35.53%0.02522%0.224CC..Hα-helixtrans-63.8-47.8174.100000111.9H134 T137 M141 A167 C168 L173 G174H134-A171 HydrophobicContact CB-CB 4.49Å; H134-A171 PolarHBondContact CE1-N 3.21Å; H134-A171 PolarHBondContact ND1-N 3.07Å; H134-A171 PolarHBondContact NE2-N 3.34Å; T137-A171 HydrophobicContact CG2-CB 3.72Å; M141-A171 WeakPolarHBondContact CE-O 3.38Å; M141-A171 HydrophobicContact SD-CB 4.46Å; A167-A171 PolarHBondContact O-N 2.93Å; A167-A171 VanDerWaalsContact O-N 3.13Å; C168-A171 WeakPolarHBondContact O-CB 3.37Å; C168-A171 PolarHBondContact O-N 3.24Å; A171-L173 PolarHBondContact O-N 3.22Å; A171-L173 VanDerWaalsContact O-N 3.17Å; A171-G174 PolarHBondContact O-N 2.9Å
172L95.7Very high93.8Very high75 Ų7538.4 Ų38.439%0.39324%0.238SC..Hα-helixtrans-61.3-24178.5-69.6173.3000113.8T137 L148 L150 C168 V169 G174T137-L172 HydrophobicContact CG2-CD2 4.02Å; T137-L172 HydrophobicContact CG2-CG 4.05Å; L148-L172 HydrophobicContact CD2-CD2 4Å; L148-L172 HydrophobicContact CG-CD2 4.39Å; L150-L172 HydrophobicContact CD1-CD1 4.42Å; L150-L172 HydrophobicContact CD1-CD2 4.49Å; L150-L172 HydrophobicContact CD2-CD1 4.31Å; C168-L172 WeakPolarHBondContact O-CG 3.46Å; C168-L172 PolarHBondContact O-N 2.88Å; V169-L172 PolarHBondContact O-N 3.45Å; L172-G174 VanDerWaalsContact C-N 3.35Å
173L94.5Very high93.6Very high112 Ų11238.9 Ų38.959%0.58624%0.237SC*.THydrogen-bonded Turntrans-88.11.3176.2-68.9171.4000113.7V169 T170 A171 V239V169-L173 HydrophobicContact CG1-CD1 3.8Å; V169-L173 HydrophobicContact CG1-CG 4.37Å; V169-L173 WeakPolarHBondContact O-CB 3.25Å; V169-L173 VanDerWaalsContact O-CG 3.25Å; V169-L173 WeakPolarHBondContact O-CG 3.4Å; V169-L173 PolarHBondContact O-N 2.86Å; T170-L173 PolarHBondContact O-N 3.28Å; A171-L173 PolarHBondContact O-N 3.22Å; A171-L173 VanDerWaalsContact O-N 3.17Å; L173-V239 HydrophobicContact CB-CG1 3.56Å; L173-V239 HydrophobicContact CD1-CG1 3.65Å; L173-V239 HydrophobicContact CG-CG1 4.23Å
174G89.9Confident93.4Very high20 Ų2035.8 Ų35.821%0.20622%0.223CC..THydrogen-bonded Turntrans82.922.7-17900000114.2A171 L172 V239 T241A171-G174 PolarHBondContact O-N 2.9Å; L172-G174 VanDerWaalsContact C-N 3.35Å; G174-V239 CarbonylContact C-O 3.5Å; G174-T241 PolarHBondContact O-N 3.36Å
175G90.4Very high93.3Very high8 Ų836.3 Ų36.38%0.08223%0.228CC..PPolyproline II helixtrans-69.7147.3172.500000111.4H134 T170 V239H134-G175 WeakPolarHBondContact NE2-CA 3.24Å; H134-G175 PolarHBondContact NE2-O 3.21Å; T170-G175 WeakPolarHBondContact O-CA 3.5Å; T170-G175 PolarHBondContact O-N 2.88Å; G175-V239 WeakPolarHBondContact CA-O 3.44Å; G175-V239 PolarHBondContact N-O 3.43Å; G175-V239 VanDerWaalsContact N-O 3.16Å
176A90.4Very high93.3Very high31 Ų3133.7 Ų33.726%0.25621%0.212SC..PPolyproline II helixtrans-63.6143.5176.600000111.4H134 T241H134-A176 PolarHBondContact NE2-O 2.93Å; A176-T241 HydrophobicContact CB-CG2 4.1Å
177C92.4Very high93.2Very high5 Ų532.9 Ų32.93%0.03420%0.203CC..PPolyproline II helixtrans-54.7144.9174.1-81.50000111.7H138 G534H138-C177 VanDerWaalsContact CG-SG 3.52Å; C177-G534 CarbonylContact O-C 3.54Å; C177-G534 WeakPolarHBondContact O-CA 3.45Å
178P91.9Very high93.2Very high26 Ų2637.5 Ų37.517%0.16923%0.226CC..PPolyproline II helixtrans-70.9157.9168.329.3-32.2000110.9Q131 H134 I135Q131-P178 HydrophobicContact CB-CB 4.12Å; Q131-P178 HydrophobicContact CB-CG 3.86Å; Q131-P178 HydrophobicContact CG-CB 4.44Å; Q131-P178 WeakPolarHBondContact O-CG 3.47Å; H134-P178 HydrophobicContact CB-CG 4.15Å; I135-P178 HydrophobicContact CD1-CG 4.22Å; I135-P178 HydrophobicContact CG1-CG 4.03Å
179P89.4Confident93.2Very high26 Ų2638.1 Ų38.117%0.16923%0.231CC..PPolyproline II helixtrans-62.6151.9168.7-20.233.8000112.1P232 I235P179-P232 HydrophobicContact CB-CB 3.96Å; P179-P232 HydrophobicContact CB-CG 3.77Å; P179-P232 HydrophobicContact CG-CB 3.92Å; P179-P232 HydrophobicContact CG-CG 4.3Å; P179-I235 HydrophobicContact CG-CD1 3.57Å; P179-I235 HydrophobicContact CG-CG1 4.21Å
180L88.9Confident93.3Very high12 Ų1234.8 Ų34.86%0.06321%0.21CC..PPolyproline II helixtrans-72.1130.5177.1-57.6175.7000111I90 I135 T184 A491 N494 L532I90-L180 HydrophobicContact CD1-CD2 3.63Å; I135-L180 HydrophobicContact CD1-CD2 3.45Å; I135-L180 VanDerWaalsContact CD1-CD2 3.45Å; L180-T184 HydrophobicContact CB-CG2 4.25Å; L180-A491 HydrophobicContact CD1-CB 4.06Å; L180-A491 WeakPolarHBondContact CD1-O 3.48Å; L180-N494 HydrophobicContact CD1-CB 4.44Å; L180-N494 PolarHBondContact O-ND2 2.83Å; L180-L532 HydrophobicContact CD1-CD2 4.3Å
181N88.9Confident93.4Very high44 Ų4433.3 Ų33.324%0.23520%0.201CC..PPolyproline II helixtrans-75.1158.9171.3-58.5-62.4000111D86 H129 P183D86-N181 PolarHBondContact OD2-ND2 2.88Å; H129-N181 WeakPolarHBondContact CB-ND2 3.27Å; N181-P183 CarbonylContact O-C 3.45Å
182L87.9Confident93.5Very high79 Ų7937.6 Ų37.641%0.41422%0.223SC..SBendtrans-85.7143.5170.2-70.3170.6000110.1T184L182-T184 HydrophobicContact CD2-CG2 3.9Å
183P93.8Very high93.6Very high68 Ų6834 Ų3444%0.44220%0.204SC..PPolyproline II helixcis-77.1146.30.633-35.7000113.2A87 N181A87-P183 VanDerWaalsContact CB-O 3.3Å; A87-P183 WeakPolarHBondContact CB-O 3.34Å; N181-P183 CarbonylContact O-C 3.45Å
184T92.7Very high93.8Very high12 Ų1228.7 Ų28.77%0.07418%0.176CC..  trans-97.7-9.7177.952.30000113.7A87 L180 L182 N226 E492 N494A87-T184 VanDerWaalsContact CB-C 3.45Å; A87-T184 WeakPolarHBondContact CB-O 3.33Å; L180-T184 HydrophobicContact CB-CG2 4.25Å; L182-T184 HydrophobicContact CD2-CG2 3.9Å; T184-N226 PolarHBondContact OG1-ND2 2.88Å; T184-E492 WeakPolarHBondContact CB-O 3.24Å; T184-E492 WeakPolarHBondContact O-CA 3.42Å; T184-E492 PolarHBondContact OG1-O 2.99Å; T184-N494 HydrophobicContact CG2-CB 3.55Å; T184-N494 WeakPolarHBondContact CG2-ND2 3.41Å
185A95.6Very high94.1Very high11 Ų1128.1 Ų28.19%0.09117%0.169CC..SBendtrans-104.7136177.900000110E492 R596A185-E492 HydrophobicContact CB-CG 3.8Å; A185-E492 WeakPolarHBondContact CB-OE1 3.23Å; A185-R596 HydrophobicContact CB-CB 4.35Å
186P96.6Very high94.5Very high0 Ų031.5 Ų31.50%018%0.183CC..  trans-65.8155.3-179.728-36000112.6T91 L191 R596T91-P186 HydrophobicContact CG2-CB 4.4Å; T91-P186 HydrophobicContact CG2-CG 4.12Å; T91-P186 WeakPolarHBondContact OG1-CG 3.43Å; P186-L191 HydrophobicContact CB-CD2 4.4Å; P186-L191 HydrophobicContact CB-CG 4.21Å; P186-L191 HydrophobicContact CG-CD1 4.28Å; P186-L191 HydrophobicContact CG-CD2 3.87Å; P186-L191 HydrophobicContact CG-CG 4.02Å; P186-R596 VanDerWaalsContact O-CZ 3.25Å; P186-R596 PolarHBondContact O-NH1 2.78Å
187S96.9Very high94.8Very high35 Ų3530.1 Ų30.125%0.24517%0.171CC..  trans-74.6155.3173.871.20000111.9D88 S189 A190 L191D88-S187 VanDerWaalsContact OD1-CB 3.26Å; D88-S187 WeakPolarHBondContact OD1-CB 3.45Å; D88-S187 PolarHBondContact OD1-N 3.23Å; D88-S187 PolarHBondContact OD1-OG 2.86Å; S187-S189 PolarHBondContact O-N 2.76Å; S187-A190 PolarHBondContact O-N 2.65Å; S187-A190 WeakPolarHBondContact OG-CB 3.28Å; S187-A190 PolarHBondContact OG-N 2.76Å; S187-A190 VanDerWaalsContact OG-N 3.11Å; S187-L191 WeakPolarHBondContact O-CG 3.35Å; S187-L191 PolarHBondContact O-N 3.4Å
188D96.3Very high95.1Very high107 Ų10729.9 Ų29.957%0.57217%0.169SC*.Hα-helixtrans-65.3-24.9176.5-52.4-56.7000112L192 R596D188-L192 WeakPolarHBondContact O-CB 3.5Å; D188-L192 PolarHBondContact O-N 2.84Å; D188-L192 VanDerWaalsContact O-N 3.09Å; D188-R596 IonicContact OD1-CZ 3.33Å; D188-R596 IonicContact OD1-NH2 3.37Å; D188-R596 PolarHBondContact OD1-NH2 3.42Å; D188-R596 IonicContact OD2-NH2 3.17Å; D188-R596 PolarHBondContact OD2-NH2 2.91Å
189S97.6Very high95.2Very high16 Ų1629.3 Ų29.311%0.11217%0.166CC..Hα-helixtrans-73.7-37.7176.5-159.80000112K81 S187 S193K81-S189 WeakPolarHBondContact CG-OG 3.21Å; S187-S189 PolarHBondContact O-N 2.76Å; S189-S193 PolarHBondContact O-N 3.27Å; S189-S193 PolarHBondContact O-OG 3.2Å
190A98.3Very high95.5Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-71.4-43.5173.800000111.3W79 M84 D88 S187 L192 S193 I194W79-A190 HydrophobicContact CE3-CB 4.25Å; W79-A190 HydrophobicContact CH2-CB 3.86Å; W79-A190 HydrophobicContact CZ3-CB 3.49Å; W79-A190 VanDerWaalsContact CZ3-CB 3.49Å; M84-A190 HydrophobicContact SD-CB 4.18Å; D88-A190 HydrophobicContact CB-CB 3.71Å; D88-A190 WeakPolarHBondContact OD1-CB 3.2Å; S187-A190 PolarHBondContact O-N 2.65Å; S187-A190 WeakPolarHBondContact OG-CB 3.28Å; S187-A190 PolarHBondContact OG-N 2.76Å; S187-A190 VanDerWaalsContact OG-N 3.11Å; A190-L192 PolarHBondContact O-N 3.2Å; A190-S193 PolarHBondContact O-N 3.27Å; A190-I194 HydrophobicContact CB-CD1 4.42Å; A190-I194 WeakPolarHBondContact O-CB 3.21Å; A190-I194 WeakPolarHBondContact O-CD1 3.12Å; A190-I194 WeakPolarHBondContact O-CG1 3.42Å; A190-I194 PolarHBondContact O-N 3.24Å
191L97.5Very high95.9Very high10 Ų1028.8 Ų28.85%0.05217%0.166CC..Hα-helixtrans-56.8-37.5175.6-74.3170.1000112.3P186 S187 S195 R596 R599 I600P186-L191 HydrophobicContact CB-CD2 4.4Å; P186-L191 HydrophobicContact CB-CG 4.21Å; P186-L191 HydrophobicContact CG-CD1 4.28Å; P186-L191 HydrophobicContact CG-CD2 3.87Å; P186-L191 HydrophobicContact CG-CG 4.02Å; S187-L191 WeakPolarHBondContact O-CG 3.35Å; S187-L191 PolarHBondContact O-N 3.4Å; L191-S195 WeakPolarHBondContact O-CB 3.43Å; L191-S195 PolarHBondContact O-N 3.43Å; L191-S195 PolarHBondContact O-OG 3.19Å; L191-R596 HydrophobicContact CD1-CB 4.49Å; L191-R599 HydrophobicContact CD1-CB 4.27Å; L191-I600 HydrophobicContact CD2-CD1 4.01Å
192L97.2Very high96.1Very high93 Ų9327.2 Ų27.249%0.48716%0.156SC..Hα-helixtrans-64.3-56.1172.7-179.962000111.6D188 A190 I194 S195 E196D188-L192 WeakPolarHBondContact O-CB 3.5Å; D188-L192 PolarHBondContact O-N 2.84Å; D188-L192 VanDerWaalsContact O-N 3.09Å; A190-L192 PolarHBondContact O-N 3.2Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.5Å; L192-S195 WeakPolarHBondContact O-CB 3.45Å; L192-S195 PolarHBondContact O-N 3.07Å; L192-E196 HydrophobicContact CD1-CG 4.14Å; L192-E196 WeakPolarHBondContact O-CG 3.32Å; L192-E196 PolarHBondContact O-N 3.24Å
193S98.5Very high96.4Very high0 Ų026.5 Ų26.50%016%0.157CC..Hα-helixtrans-56-42.4179-66.40000112.7P78 S189 A190 T197P78-S193 VanDerWaalsContact O-CB 3.28Å; P78-S193 WeakPolarHBondContact O-CB 3.44Å; P78-S193 PolarHBondContact O-OG 3Å; S189-S193 PolarHBondContact O-N 3.27Å; S189-S193 PolarHBondContact O-OG 3.2Å; A190-S193 PolarHBondContact O-N 3.27Å; S193-T197 VanDerWaalsContact O-CB 3.32Å; S193-T197 WeakPolarHBondContact O-CB 3.42Å; S193-T197 PolarHBondContact O-N 3.21Å; S193-T197 PolarHBondContact O-OG1 3.04Å
194I98.4Very high96.4Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-63.5-45.1175.6-68.6165.8000110.3L77 W79 T91 A92 Q95 V96 A190 L192 T197 I198 I600L77-I194 HydrophobicContact CD1-CG1 4.26Å; L77-I194 HydrophobicContact CD2-CG1 4.31Å; W79-I194 HydrophobicContact CH2-CD1 4.27Å; W79-I194 HydrophobicContact CH2-CG1 4.28Å; W79-I194 HydrophobicContact CZ3-CG1 4.27Å; T91-I194 HydrophobicContact CG2-CD1 3.94Å; A92-I194 HydrophobicContact CB-CD1 4.19Å; A92-I194 HydrophobicContact CB-CG1 4.31Å; Q95-I194 HydrophobicContact CB-CG2 4.29Å; V96-I194 HydrophobicContact CG2-CG2 3.81Å; A190-I194 HydrophobicContact CB-CD1 4.42Å; A190-I194 WeakPolarHBondContact O-CB 3.21Å; A190-I194 WeakPolarHBondContact O-CD1 3.12Å; A190-I194 WeakPolarHBondContact O-CG1 3.42Å; A190-I194 PolarHBondContact O-N 3.24Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.5Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-I198 HydrophobicContact CG2-CD1 3.64Å; I194-I198 HydrophobicContact CG2-CG1 4.4Å; I194-I198 WeakPolarHBondContact O-CB 3.47Å; I194-I198 VanDerWaalsContact O-CG1 3.26Å; I194-I198 WeakPolarHBondContact O-CG1 3.36Å; I194-I198 PolarHBondContact O-N 3.1Å; I194-I600 HydrophobicContact CG2-CD1 3.69Å
195S97.2Very high96.5Very high7 Ų725.5 Ų25.55%0.04915%0.145CC..Hα-helixtrans-64.5-40.8179.3-64.40000112.8L191 L192 S199 T601L191-S195 WeakPolarHBondContact O-CB 3.43Å; L191-S195 PolarHBondContact O-N 3.43Å; L191-S195 PolarHBondContact O-OG 3.19Å; L192-S195 WeakPolarHBondContact O-CB 3.45Å; L192-S195 PolarHBondContact O-N 3.07Å; S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.19Å; S195-S199 PolarHBondContact O-OG 2.85Å; S195-T601 WeakPolarHBondContact CB-O 3.5Å; S195-T601 PolarHBondContact OG-N 2.99Å
196E97.1Very high96.4Very high80 Ų8026.1 Ų26.137%0.37415%0.15SC..Hα-helixtrans-66.2-44.4175.8-69.6174.3151.400110.9L192 S199 A200L192-E196 HydrophobicContact CD1-CG 4.14Å; L192-E196 WeakPolarHBondContact O-CG 3.32Å; L192-E196 PolarHBondContact O-N 3.24Å; E196-S199 WeakPolarHBondContact O-CB 3.46Å; E196-S199 PolarHBondContact O-N 2.63Å; E196-S199 VanDerWaalsContact O-N 3.17Å; E196-A200 PolarHBondContact O-N 2.9Å
197T98.4Very high96.3Very high1 Ų126.7 Ų26.71%0.00615%0.154CC..Hα-helixtrans-60.9-47.4175.6-550000112.3C62 I75 N76 L77 V96 S193 I194 S199 A200 L201C62-T197 HydrophobicContact CB-CG2 4.48Å; C62-T197 WeakPolarHBondContact CB-OG1 3.47Å; I75-T197 HydrophobicContact CG2-CG2 3.98Å; N76-T197 WeakPolarHBondContact O-CG2 3.27Å; N76-T197 PolarHBondContact O-OG1 2.97Å; L77-T197 HydrophobicContact CB-CG2 4.43Å; L77-T197 HydrophobicContact CG-CG2 4.35Å; V96-T197 HydrophobicContact CG1-CG2 4.15Å; S193-T197 VanDerWaalsContact O-CB 3.32Å; S193-T197 WeakPolarHBondContact O-CB 3.42Å; S193-T197 PolarHBondContact O-N 3.21Å; S193-T197 PolarHBondContact O-OG1 3.04Å; I194-T197 PolarHBondContact O-N 3.39Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 2.97Å; T197-A200 PolarHBondContact O-N 3.27Å; T197-L201 HydrophobicContact CG2-CD1 3.95Å; T197-L201 WeakPolarHBondContact O-CG 3.35Å; T197-L201 PolarHBondContact O-N 2.75Å; T197-L201 VanDerWaalsContact O-N 3.09Å
198I97.3Very high96.3Very high0 Ų025 Ų250%014%0.142CC..Hα-helixtrans-62.7-38.2175.6-69.9169.6000110.5Q95 V96 I194 L201 Y202 L208 L211 I600 I602Q95-I198 HydrophobicContact CB-CD1 4.25Å; V96-I198 HydrophobicContact CG2-CD1 3.99Å; V96-I198 HydrophobicContact CG2-CG1 3.85Å; I194-I198 HydrophobicContact CG2-CD1 3.64Å; I194-I198 HydrophobicContact CG2-CG1 4.4Å; I194-I198 WeakPolarHBondContact O-CB 3.47Å; I194-I198 VanDerWaalsContact O-CG1 3.26Å; I194-I198 WeakPolarHBondContact O-CG1 3.36Å; I194-I198 PolarHBondContact O-N 3.1Å; I198-L201 PolarHBondContact O-N 3.5Å; I198-Y202 WeakPolarHBondContact O-CA 3.11Å; I198-Y202 WeakPolarHBondContact O-CB 3.31Å; I198-Y202 PolarHBondContact O-N 3.28Å; I198-L208 HydrophobicContact CG1-CD2 4.34Å; I198-L208 HydrophobicContact CG2-CB 4.42Å; I198-L211 HydrophobicContact CD1-CD1 3.89Å; I198-L211 HydrophobicContact CG2-CD1 4.17Å; I198-I600 HydrophobicContact CD1-CG2 3.67Å; I198-I602 HydrophobicContact CG2-CD1 3.61Å; I198-I602 HydrophobicContact CG2-CG1 4.11Å
199S95.3Very high96Very high14 Ų1422.4 Ų22.410%0.09813%0.127CC..Hα-helixtrans-65.8-38.9178.2-61.50000112.8S195 E196 T197 P603 V606S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.19Å; S195-S199 PolarHBondContact O-OG 2.85Å; E196-S199 WeakPolarHBondContact O-CB 3.46Å; E196-S199 PolarHBondContact O-N 2.63Å; E196-S199 VanDerWaalsContact O-N 3.17Å; T197-S199 VanDerWaalsContact C-N 3.28Å; T197-S199 PolarHBondContact O-N 2.97Å; S199-P603 WeakPolarHBondContact OG-CD 3.21Å; S199-V606 WeakPolarHBondContact O-CG1 3.48Å
200A95.8Very high95.6Very high27 Ų2721.6 Ų21.622%0.22312%0.121CC..Hα-helixtrans-66.7-38.6174.800000112.1C62 V65 E196 T197 P203C62-A200 VanDerWaalsContact O-CB 3.24Å; C62-A200 WeakPolarHBondContact O-CB 3.16Å; V65-A200 HydrophobicContact CG1-CB 4.01Å; E196-A200 PolarHBondContact O-N 2.9Å; T197-A200 PolarHBondContact O-N 3.27Å; A200-P203 WeakPolarHBondContact O-CD 3.4Å
201L96.5Very high95Very high1 Ų122.6 Ų22.61%0.00513%0.127CC..Hα-helixtrans-85.9-14.2-178.3-67169.8000114.5V65 I75 V96 T197 I198 P203 H204 L208V65-L201 HydrophobicContact CB-CD2 4.14Å; V65-L201 HydrophobicContact CG1-CD2 3.76Å; V65-L201 HydrophobicContact CG1-CG 4.37Å; I75-L201 HydrophobicContact CB-CD1 4.07Å; I75-L201 HydrophobicContact CD1-CD1 3.95Å; I75-L201 HydrophobicContact CG1-CD1 3.62Å; I75-L201 HydrophobicContact CG1-CD2 3.98Å; I75-L201 HydrophobicContact CG1-CG 4.47Å; I75-L201 HydrophobicContact CG2-CD1 3.63Å; V96-L201 HydrophobicContact CG1-CD1 4.29Å; T197-L201 HydrophobicContact CG2-CD1 3.95Å; T197-L201 WeakPolarHBondContact O-CG 3.35Å; T197-L201 PolarHBondContact O-N 2.75Å; T197-L201 VanDerWaalsContact O-N 3.09Å; I198-L201 PolarHBondContact O-N 3.5Å; L201-P203 VanDerWaalsContact C-N 3.3Å; L201-P203 VanDerWaalsContact O-N 3.15Å; L201-H204 PolarHBondContact O-N 3.45Å; L201-L208 HydrophobicContact CB-CD1 3.47Å; L201-L208 VanDerWaalsContact CB-CD1 3.47Å; L201-L208 HydrophobicContact CD1-CD1 4.19Å
202Y94.3Very high93.6Very high10 Ų1022.4 Ų22.44%0.03913%0.126CC..THydrogen-bonded Turntrans-48.5-39.1-176.9-169.1-95.3000114.6I198 H204 Q209 A212 I602 V606 L610I198-Y202 WeakPolarHBondContact O-CA 3.11Å; I198-Y202 WeakPolarHBondContact O-CB 3.31Å; I198-Y202 PolarHBondContact O-N 3.28Å; Y202-H204 PolarHBondContact O-N 3.39Å; Y202-Q209 HydrophobicContact CD1-CG 4.47Å; Y202-Q209 HydrophobicContact CD2-CG 4.38Å; Y202-Q209 HydrophobicContact CE1-CG 4.13Å; Y202-Q209 VanDerWaalsContact CE2-CA 3.46Å; Y202-Q209 HydrophobicContact CE2-CB 4.23Å; Y202-Q209 HydrophobicContact CE2-CG 4.08Å; Y202-Q209 VanDerWaalsContact O-CG 3.28Å; Y202-Q209 WeakPolarHBondContact O-CG 3.46Å; Y202-Q209 PolarHBondContact O-NE2 3.15Å; Y202-Q209 PolarHBondContact OH-O 3.26Å; Y202-A212 HydrophobicContact CE2-CB 3.78Å; Y202-A212 WeakPolarHBondContact OH-CB 3.27Å; Y202-I602 HydrophobicContact CD2-CD1 3.65Å; Y202-I602 HydrophobicContact CD2-CG2 4.24Å; Y202-I602 HydrophobicContact CE2-CD1 3.85Å; Y202-I602 HydrophobicContact CG-CG2 4.47Å; Y202-V606 HydrophobicContact CD1-CG1 3.79Å; Y202-V606 HydrophobicContact CG-CG1 4Å; Y202-L610 HydrophobicContact CD1-CD1 4.06Å; Y202-L610 HydrophobicContact CD1-CG 4.24Å; Y202-L610 HydrophobicContact CE1-CD1 3.37Å; Y202-L610 HydrophobicContact CE1-CG 3.9Å
203P92.3Very high91.7Very high65 Ų6518.5 Ų18.542%0.42211%0.108SC..THydrogen-bonded Turntrans-67.3-18.4177.4-21.335000115.1A200 L201 L610A200-P203 WeakPolarHBondContact O-CD 3.4Å; L201-P203 VanDerWaalsContact C-N 3.3Å; L201-P203 VanDerWaalsContact O-N 3.15Å; P203-L610 HydrophobicContact CB-CD2 4.38Å
204H94.7Very high89.1Confident57 Ų5722.9 Ų22.926%0.26414%0.137SC..THydrogen-bonded Turntrans-107-16.3-163.4-55.3-82.8000114.8E71 L201 Y202E71-H204 PolarHBondContact O-ND1 3.37Å; L201-H204 PolarHBondContact O-N 3.45Å; Y202-H204 PolarHBondContact O-N 3.39Å
205W95.5Very high86.6Confident1 Ų124.5 Ų24.50%0.00415%0.153CC..  trans-136119.6-170.5-61.597.3000111.9L41 G72 R73 V100 E103 F104 S207 L208 Q209L41-W205 HydrophobicContact CD1-CH2 4.1Å; L41-W205 HydrophobicContact CD1-CZ2 3.76Å; L41-W205 HydrophobicContact CD2-CH2 3.98Å; L41-W205 HydrophobicContact CD2-CZ2 4.41Å; G72-W205 VanDerWaalsContact O-CE2 3.3Å; G72-W205 VanDerWaalsContact O-CZ2 3.28Å; G72-W205 WeakPolarHBondContact O-CZ2 3.42Å; G72-W205 PolarHBondContact O-NE1 3.36Å; R73-W205 VanDerWaalsContact NH1-CZ2 3.26Å; V100-W205 HydrophobicContact CB-CD2 4.28Å; V100-W205 HydrophobicContact CB-CE3 4.33Å; V100-W205 HydrophobicContact CG1-CD2 3.59Å; V100-W205 VanDerWaalsContact CG1-CE2 3.43Å; V100-W205 HydrophobicContact CG1-CE3 3.71Å; V100-W205 HydrophobicContact CG1-CG 4.3Å; V100-W205 HydrophobicContact CG1-CH2 3.46Å; V100-W205 VanDerWaalsContact CG1-CH2 3.46Å; V100-W205 HydrophobicContact CG1-CZ2 3.39Å; V100-W205 HydrophobicContact CG1-CZ3 3.66Å; V100-W205 HydrophobicContact CG2-CB 4.24Å; V100-W205 HydrophobicContact CG2-CD2 4.05Å; V100-W205 HydrophobicContact CG2-CE3 4.47Å; V100-W205 HydrophobicContact CG2-CG 3.93Å; V100-W205 WeakPolarHBondContact O-CZ3 3.2Å; E103-W205 HydrophobicContact CB-CE3 4.06Å; E103-W205 HydrophobicContact CB-CZ3 4.24Å; E103-W205 HydrophobicContact CG-CE3 3.96Å; E103-W205 HydrophobicContact CG-CZ3 4.29Å; F104-W205 HydrophobicContact CB-CH2 3.84Å; F104-W205 HydrophobicContact CB-CZ3 3.86Å; F104-W205 AromaticContact CD2-CH2 3.97Å; F104-W205 HydrophobicContact CD2-CH2 3.97Å; F104-W205 HydrophobicContact CG-CH2 4.23Å; W205-S207 VanDerWaalsContact C-N 3.25Å; W205-S207 PolarHBondContact O-N 2.93Å; W205-L208 HydrophobicContact CB-CB 4.26Å; W205-L208 HydrophobicContact CB-CD1 4.2Å; W205-L208 HydrophobicContact CB-CG 4.04Å; W205-L208 HydrophobicContact CG-CD1 4.48Å; W205-L208 PolarHBondContact O-N 3.02Å; W205-Q209 WeakPolarHBondContact O-CG 3.26Å; W205-Q209 PolarHBondContact O-N 3.49Å; W205-Q209 VanDerWaalsContact O-N 3.15Å
206A93.5Very high84.2Confident25 Ų2528.1 Ų28.121%0.20718%0.177CC..Hα-helixtrans-65.8-30.1179.100000112.5E103 Q209 P575E103-A206 VanDerWaalsContact CD-N 3.34Å; E103-A206 PolarHBondContact OE1-N 3.4Å; E103-A206 PolarHBondContact OE2-N 3.09Å; A206-Q209 WeakPolarHBondContact O-CB 3.21Å; A206-Q209 PolarHBondContact O-N 3.44Å; A206-P575 HydrophobicContact CB-CB 3.76Å
207S94.7Very high81.5Confident11 Ų1133 Ų338%0.07720%0.2CC..Hα-helixtrans-59.5-44.4172.354.40000112.5P99 E103 W205 Q209 V210 H484P99-S207 WeakPolarHBondContact O-CB 3.5Å; P99-S207 PolarHBondContact O-OG 2.84Å; E103-S207 WeakPolarHBondContact OE2-CB 3.17Å; E103-S207 PolarHBondContact OE2-N 2.92Å; E103-S207 PolarHBondContact OE2-OG 2.61Å; W205-S207 VanDerWaalsContact C-N 3.25Å; W205-S207 PolarHBondContact O-N 2.93Å; S207-Q209 VanDerWaalsContact C-N 3.33Å; S207-V210 WeakPolarHBondContact O-CB 3.24Å; S207-V210 WeakPolarHBondContact O-CG2 3.5Å; S207-V210 PolarHBondContact O-N 3.14Å; S207-H484 PolarHBondContact O-NE2 3.06Å
208L95.2Very high78.8Confident0 Ų037 Ų370%024%0.242CC..Hα-helixtrans-74.2-25175.5-60.6-175.9000112.8P99 V100 I198 L201 W205 V210 L211P99-L208 HydrophobicContact CB-CD2 4.39Å; V100-L208 HydrophobicContact CG2-CD1 3.73Å; V100-L208 HydrophobicContact CG2-CD2 3.91Å; V100-L208 HydrophobicContact CG2-CG 3.67Å; I198-L208 HydrophobicContact CG1-CD2 4.34Å; I198-L208 HydrophobicContact CG2-CB 4.42Å; L201-L208 HydrophobicContact CB-CD1 3.47Å; L201-L208 VanDerWaalsContact CB-CD1 3.47Å; L201-L208 HydrophobicContact CD1-CD1 4.19Å; W205-L208 HydrophobicContact CB-CB 4.26Å; W205-L208 HydrophobicContact CB-CD1 4.2Å; W205-L208 HydrophobicContact CB-CG 4.04Å; W205-L208 HydrophobicContact CG-CD1 4.48Å; W205-L208 PolarHBondContact O-N 3.02Å; L208-V210 PolarHBondContact O-N 2.63Å; L208-V210 VanDerWaalsContact O-N 3.12Å; L208-L211 PolarHBondContact O-N 3.46Å; L208-L211 VanDerWaalsContact O-N 3.15Å
209Q91.6Very high75.9Confident52 Ų5248.2 Ų48.224%0.24328%0.284CS..Hα-helixtrans-63.6-15.8175.7-70.4168.420.300113.3Y202 W205 A206 S207 L211 R585 L610Y202-Q209 HydrophobicContact CD1-CG 4.47Å; Y202-Q209 HydrophobicContact CD2-CG 4.38Å; Y202-Q209 HydrophobicContact CE1-CG 4.13Å; Y202-Q209 VanDerWaalsContact CE2-CA 3.46Å; Y202-Q209 HydrophobicContact CE2-CB 4.23Å; Y202-Q209 HydrophobicContact CE2-CG 4.08Å; Y202-Q209 VanDerWaalsContact O-CG 3.28Å; Y202-Q209 WeakPolarHBondContact O-CG 3.46Å; Y202-Q209 PolarHBondContact O-NE2 3.15Å; Y202-Q209 PolarHBondContact OH-O 3.26Å; W205-Q209 WeakPolarHBondContact O-CG 3.26Å; W205-Q209 PolarHBondContact O-N 3.49Å; W205-Q209 VanDerWaalsContact O-N 3.15Å; A206-Q209 WeakPolarHBondContact O-CB 3.21Å; A206-Q209 PolarHBondContact O-N 3.44Å; S207-Q209 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.89Å; Q209-R585 PolarHBondContact O-NH2 3.21Å; Q209-L610 HydrophobicContact CG-CD1 3.98Å
210V89.1Confident73.3Confident0 Ų054.3 Ų54.30%032%0.32CS..THydrogen-bonded Turntrans-55.2-36.8171.7-178.70000111.7S207 L208 A212 A480 P576 V581 I584 R585S207-V210 WeakPolarHBondContact O-CB 3.24Å; S207-V210 WeakPolarHBondContact O-CG2 3.5Å; S207-V210 PolarHBondContact O-N 3.14Å; L208-V210 PolarHBondContact O-N 2.63Å; L208-V210 VanDerWaalsContact O-N 3.12Å; V210-A212 PolarHBondContact O-N 3.42Å; V210-A480 HydrophobicContact CG2-CB 4.16Å; V210-P576 HydrophobicContact CG2-CB 4.41Å; V210-P576 HydrophobicContact CG2-CG 3.95Å; V210-V581 HydrophobicContact CG2-CG2 4.18Å; V210-I584 HydrophobicContact CG1-CB 4.08Å; V210-I584 HydrophobicContact CG1-CD1 3.98Å; V210-I584 HydrophobicContact CG1-CG2 3.6Å; V210-R585 WeakPolarHBondContact O-CG 3.47Å; V210-R585 PolarHBondContact O-NE 3.02Å
211L85.7Confident71Confident21 Ų2157.3 Ų57.311%0.1133%0.331CS..THydrogen-bonded Turntrans-81.81.4-166.4-68.6173000116.3I198 L208 Q209 H484 I588 I600 I602I198-L211 HydrophobicContact CD1-CD1 3.89Å; I198-L211 HydrophobicContact CG2-CD1 4.17Å; L208-L211 PolarHBondContact O-N 3.46Å; L208-L211 VanDerWaalsContact O-N 3.15Å; Q209-L211 PolarHBondContact O-N 2.89Å; L211-H484 HydrophobicContact CD2-CB 4.02Å; L211-I588 HydrophobicContact CD2-CD1 3.7Å; L211-I600 HydrophobicContact CD1-CG2 4.21Å; L211-I602 HydrophobicContact CB-CD1 3.67Å
212A67.6Low68.4Low5 Ų562.6 Ų62.64%0.04136%0.364CS..  trans-72.7134.3-175.600000116.2Y202 V210 R585 Q607Y202-A212 HydrophobicContact CE2-CB 3.78Å; Y202-A212 WeakPolarHBondContact OH-CB 3.27Å; V210-A212 PolarHBondContact O-N 3.42Å; A212-R585 WeakPolarHBondContact O-CD 3.29Å; A212-R585 PolarHBondContact O-NE 2.58Å; A212-Q607 HydrophobicContact CB-CB 4.36Å; A212-Q607 HydrophobicContact CB-CG 3.73Å
213G57.3Low65.9Low11 Ų1164.2 Ų64.211%0.11338%0.379CS..SBendtrans174.9174.4164.700000110.8G215 Q607G213-G215 PolarHBondContact O-N 3.15Å; G213-Q607 VanDerWaalsContact CA-OE1 3.32Å; G213-Q607 PolarHBondContact O-NE2 3.49Å
214P43.1Very low63.6Low93 Ų9364 Ų6460%0.60438%0.383SS*.PPolyproline II helixtrans-58.4136.6165.426.7-33.5000109.2
215G47.3Very low60.9Low33 Ų3364.5 Ų64.534%0.3440%0.397SS..PPolyproline II helixtrans-60.5162.117100000111.2G213 E217G213-G215 PolarHBondContact O-N 3.15Å; G215-E217 PolarHBondContact O-N 3.49Å; G215-E217 VanDerWaalsContact O-N 3.16Å
216P46.8Very low58.5Low84 Ų8468.6 Ų68.655%0.54542%0.419SS..PPolyproline II helixtrans-58.1121.5-176.323.1-33.1000111.5G218P216-G218 PolarHBondContact O-N 2.92Å
217E40.2Very low55.9Low182 Ų18274.9 Ų74.985%0.8544%0.444SS*.PPolyproline II helixtrans-59.6137.8173-70.8-170.117000110.3G215 R219G215-E217 PolarHBondContact O-N 3.49Å; G215-E217 VanDerWaalsContact O-N 3.16Å; E217-R219 PolarHBondContact O-N 3.34Å
218G40.8Very low53Low86 Ų8679.2 Ų79.289%0.88747%0.474SS*.SBendtrans-58.394.7-164.100000115.4P216P216-G218 PolarHBondContact O-N 2.92Å
219R35.9Very low50.2Low235 Ų23580.5 Ų80.589%0.88748%0.483SS*.  trans-122.6123.4157-73.8-171.8175.7-173.11109.7E217 I221E217-R219 PolarHBondContact O-N 3.34Å; R219-I221 PolarHBondContact O-N 2.93Å
220V42.3Very low47.5Very low141 Ų14181.3 Ų81.386%0.85549%0.493SS*.  trans-74.498.2-178.8178.80000110.1
221I46.6Very low45.2Very low90 Ų9087.1 Ų87.146%0.46253%0.529SS..  trans37103.1132.6-53169.8000116R219 A223R219-I221 PolarHBondContact O-N 2.93Å; I221-A223 HydrophobicContact CG2-CB 3.56Å
222T41.3Very low43.3Very low112 Ų11288.5 Ų88.569%0.68754%0.539SS*.  trans-98.678.8139.244.40000108.3A224T222-A224 PolarHBondContact O-N 3.21Å
223A42.8Very low42.1Very low45 Ų4592.6 Ų92.637%0.37257%0.572SS.*PPolyproline II helixtrans-67.1131160.900000106.7I221 A225I221-A223 HydrophobicContact CG2-CB 3.56Å; A223-A225 PolarHBondContact O-N 3.15Å; A223-A225 VanDerWaalsContact O-N 3.08Å
224A44.6Very low41.4Very low59 Ų5997.8 Ų97.849%0.48861%0.607SS.*PPolyproline II helixtrans-57.6118.4161.800000106.3T222 N226 F462T222-A224 PolarHBondContact O-N 3.21Å; A224-N226 PolarHBondContact O-N 3Å; A224-F462 HydrophobicContact CB-CZ 4.3Å
225A38.1Very low41.8Very low69 Ų6996.1 Ų96.157%0.5759%0.593SS**PPolyproline II helixtrans-59.4127.2172.800000106.9A223 H227A223-A225 PolarHBondContact O-N 3.15Å; A223-A225 VanDerWaalsContact O-N 3.08Å; A225-H227 PolarHBondContact O-N 2.83Å
226N43.8Very low41.9Very low87 Ų87101.2 Ų101.247%0.46561%0.612SS.*  trans-60.487.8171.7-82.8-0.1000108.2T184 A224 S228T184-N226 PolarHBondContact OG1-ND2 2.88Å; A224-N226 PolarHBondContact O-N 3Å; N226-S228 PolarHBondContact O-N 3.22Å
227H38.8Very low42.1Very low157 Ų157103.6 Ų103.673%0.72763%0.625SS**  trans-60.9127.5172-80.3-67.6000106.9A225 S229A225-H227 PolarHBondContact O-N 2.83Å; H227-S229 PolarHBondContact O-N 2.79Å; H227-S229 PolarHBondContact O-OG 3.14Å
228S34.3Very low42.9Very low102 Ų10297.9 Ų97.971%0.71361%0.605SS**  trans-52.198.9-177.753.10000109.9N226N226-S228 PolarHBondContact O-N 3.22Å
229S37.3Very low44Very low27 Ų2797.3 Ų97.319%0.18958%0.584CS.*PPolyproline II helixtrans-70.2148170.7-50.50000107.7H227 T231 R405H227-S229 PolarHBondContact O-N 2.79Å; H227-S229 PolarHBondContact O-OG 3.14Å; S229-T231 PolarHBondContact O-N 3.25Å; S229-R405 PolarHBondContact OG-NH1 3Å; S229-R405 PolarHBondContact OG-NH2 3.24Å
230P34.6Very low45.6Very low68 Ų6888.9 Ų88.944%0.44257%0.565SS.*PPolyproline II helixtrans-54.4141.3164.1-17.630.3000108.9P232P230-P232 WeakPolarHBondContact O-CD 3.22Å
231T39.3Very low47.5Very low123 Ų12383.4 Ų83.476%0.75553%0.532SS*.PPolyproline II helixtrans-53.4126165.2-38.60000107.3S229 A233S229-T231 PolarHBondContact O-N 3.25Å; T231-A233 PolarHBondContact O-N 3.39Å
232P45.9Very low49.7Very low50 Ų5081.9 Ų81.933%0.32553%0.527SS..PPolyproline II helixtrans-52.8128.3179-2937.2000109.5P179 P230 S234P179-P232 HydrophobicContact CB-CB 3.96Å; P179-P232 HydrophobicContact CB-CG 3.77Å; P179-P232 HydrophobicContact CG-CB 3.92Å; P179-P232 HydrophobicContact CG-CG 4.3Å; P230-P232 WeakPolarHBondContact O-CD 3.22Å; P232-S234 PolarHBondContact O-N 3.39Å
233A43.1Very low52.5Low90 Ų9076.6 Ų76.674%0.74450%0.495SS*.PPolyproline II helixtrans-52.3137.1-177.500000109.7T231 I235T231-A233 PolarHBondContact O-N 3.39Å; A233-I235 PolarHBondContact O-N 2.83Å
234S41.6Very low55.1Low121 Ų12174.5 Ų74.585%0.84648%0.477SS*.  trans-50.9106.3-169.356.90000111.3P232P232-S234 PolarHBondContact O-N 3.39Å
235I52.6Low57.7Low58 Ų5871.7 Ų71.730%0.29745%0.454SS..  trans-64.4139.8174.6-55.6-179.5000107.2P179 A233 T237P179-I235 HydrophobicContact CG-CD1 3.57Å; P179-I235 HydrophobicContact CG-CG1 4.21Å; A233-I235 PolarHBondContact O-N 2.83Å; I235-T237 PolarHBondContact O-N 3.11Å; I235-T237 VanDerWaalsContact O-N 3.13Å
236N48.6Very low60.6Low140 Ų14068.4 Ų68.475%0.74943%0.427SS*.  trans-51.9121.1172.3-113.4-18000109.3S238N236-S238 PolarHBondContact O-N 2.72Å
237T50.9Low63.2Low133 Ų13365.7 Ų65.782%0.81641%0.41SS*.  trans-75.648.8177.550.10000111.3I235 V239I235-T237 PolarHBondContact O-N 3.11Å; I235-T237 VanDerWaalsContact O-N 3.13Å; T237-V239 PolarHBondContact O-N 2.89Å
238S56.8Low66.1Low63 Ų6359.8 Ų59.844%0.44138%0.384SS..  trans-63.9127.7173.7-178.40000109.2N236 A240N236-S238 PolarHBondContact O-N 2.72Å; S238-A240 PolarHBondContact O-N 3.39Å; S238-A240 PolarHBondContact OG-N 2.84Å; S238-A240 PolarHBondContact OG-O 3.44Å
239V64.4Low69.1Low73 Ų7361.6 Ų61.644%0.44238%0.381SS..SBendtrans-71.6-13.9179.2-174.90000111.8L173 G174 G175 T237L173-V239 HydrophobicContact CB-CG1 3.56Å; L173-V239 HydrophobicContact CD1-CG1 3.65Å; L173-V239 HydrophobicContact CG-CG1 4.23Å; G174-V239 CarbonylContact C-O 3.5Å; G175-V239 WeakPolarHBondContact CA-O 3.44Å; G175-V239 PolarHBondContact N-O 3.43Å; G175-V239 VanDerWaalsContact N-O 3.16Å; T237-V239 PolarHBondContact O-N 2.89Å
240A70Confident72.1Confident58 Ų5865.1 Ų65.148%0.47939%0.393SS..SBendtrans-122.8138.4175.600000111.4S238S238-A240 PolarHBondContact O-N 3.39Å; S238-A240 PolarHBondContact OG-N 2.84Å; S238-A240 PolarHBondContact OG-O 3.44Å
241T82.6Confident75.1Confident27 Ų2761.9 Ų61.917%0.16637%0.372CS..  trans-69.8145.5168.244.70000112.3G174 A176 S361G174-T241 PolarHBondContact O-N 3.36Å; A176-T241 HydrophobicContact CB-CG2 4.1Å; T241-S361 WeakPolarHBondContact CA-OG 3.27Å
242T93.3Very high77.9Confident58 Ų5858.5 Ų58.536%0.35635%0.348SS..  trans-119.3113.8170.6-52.30000110H286 L360 S361 N362T242-H286 HydrophobicContact CG2-CB 4.32Å; T242-L360 HydrophobicContact CG2-CD2 3.7Å; T242-S361 PolarHBondContact N-OG 3.37Å; T242-S361 PolarHBondContact O-N 3.48Å; T242-N362 PolarHBondContact O-N 2.82Å
243T98.4Very high80.4Confident1 Ų160.6 Ų60.61%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-97124.3-177.5-53.50000111.7C285 H286 N362 L561 L562T243-C285 CarbonylContact O-C 3.57Å; T243-C285 VanDerWaalsContact O-CA 3.32Å; T243-C285 WeakPolarHBondContact O-CA 3.44Å; T243-H286 PolarHBondContact O-N 3.03Å; T243-N362 WeakPolarHBondContact CA-O 3.26Å; T243-N362 VanDerWaalsContact CA-OD1 3.23Å; T243-N362 WeakPolarHBondContact CA-OD1 3.24Å; T243-N362 VanDerWaalsContact CB-OD1 3.23Å; T243-N362 WeakPolarHBondContact CB-OD1 3.46Å; T243-N362 WeakPolarHBondContact CG2-OD1 3.34Å; T243-N362 PolarHBondContact OG1-OD1 3.36Å; T243-L561 HydrophobicContact CG2-CB 3.89Å; T243-L561 HydrophobicContact CG2-CD1 4.26Å; T243-L561 PolarHBondContact OG1-O 3.17Å; T243-L562 HydrophobicContact CG2-CD2 4.44Å; T243-L562 HydrophobicContact CG2-CG 4.41Å
244G98.6Very high83.1Confident0 Ų056.3 Ų56.30%032%0.318CS..EExtended strand (participates in β ladder)trans-79.1144.7170.200000112.7H286 N362 G363 V364G244-H286 CarbonylContact C-O 3.48Å; G244-H286 WeakPolarHBondContact CA-O 3.49Å; G244-N362 PolarHBondContact N-O 2.82Å; G244-G363 CarbonylContact O-C 3.56Å; G244-G363 WeakPolarHBondContact O-CA 3.5Å; G244-V364 PolarHBondContact O-N 2.86Å
245L98.9Very high85.7Confident0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-130123.2168.9-174.7158.8000109.6F273 L276 V282 C285 H286 R287 I288 V364 I366L245-F273 HydrophobicContact CD2-CD2 4.26Å; L245-F273 HydrophobicContact CD2-CE2 4.1Å; L245-L276 HydrophobicContact CD1-CD2 3.72Å; L245-V282 HydrophobicContact CD1-CG2 4.05Å; L245-C285 HydrophobicContact CB-CB 3.57Å; L245-C285 HydrophobicContact CD1-CB 4.23Å; L245-H286 PolarHBondContact N-O 3.37Å; L245-R287 WeakPolarHBondContact O-CA 3.32Å; L245-I288 PolarHBondContact O-N 3.44Å; L245-V364 WeakPolarHBondContact CA-O 3.37Å; L245-V364 HydrophobicContact CB-CG1 4.1Å; L245-V364 HydrophobicContact CD1-CG1 4.27Å; L245-V364 HydrophobicContact CG-CG1 3.99Å; L245-I366 HydrophobicContact CD1-CD1 4.31Å; L245-I366 HydrophobicContact CD2-CD1 4.19Å; L245-I366 HydrophobicContact CG-CD1 4.24Å
246V98.9Very high87.8Confident0 Ų051.7 Ų51.70%029%0.286CS..EExtended strand (participates in β ladder)trans-114.8132.1170.4660000111.2I288 A290 V351 V364 A365 I366V246-I288 HydrophobicContact CB-CB 4.26Å; V246-I288 HydrophobicContact CB-CG2 4.43Å; V246-I288 WeakPolarHBondContact CG2-O 3.29Å; V246-A290 HydrophobicContact CG2-CB 4.18Å; V246-V351 HydrophobicContact CB-CG2 3.85Å; V246-V351 HydrophobicContact CG1-CG2 3.51Å; V246-V364 PolarHBondContact N-O 3.08Å; V246-A365 HydrophobicContact CG1-CB 3.62Å; V246-I366 PolarHBondContact O-N 3.07Å
247Y98.8Very high90Very high31 Ų3149.1 Ų49.112%0.12227%0.272CS..  trans-158.8134176.8168.6-98.3000108.1E249 I269 F273 I366Y247-E249 HydrophobicContact CE1-CB 4.47Å; Y247-I269 HydrophobicContact CD2-CB 4.38Å; Y247-I269 HydrophobicContact CE2-CB 3.95Å; Y247-I269 HydrophobicContact CE2-CD1 3.91Å; Y247-I269 HydrophobicContact CE2-CG1 4.06Å; Y247-F273 HydrophobicContact CD1-CB 4.21Å; Y247-F273 HydrophobicContact CD1-CD1 4.11Å; Y247-F273 AromaticContact CD1-CD2 3.49Å; Y247-F273 HydrophobicContact CD1-CD2 3.49Å; Y247-F273 VanDerWaalsContact CD1-CD2 3.49Å; Y247-F273 HydrophobicContact CD1-CE1 4.49Å; Y247-F273 AromaticContact CD1-CE2 3.91Å; Y247-F273 HydrophobicContact CD1-CE2 3.91Å; Y247-F273 AromaticContact CD1-CG 3.62Å; Y247-F273 HydrophobicContact CD1-CG 3.62Å; Y247-F273 HydrophobicContact CD1-CZ 4.4Å; Y247-F273 HydrophobicContact CD2-CB 3.93Å; Y247-F273 HydrophobicContact CD2-CD2 4.27Å; Y247-F273 HydrophobicContact CD2-CG 4.23Å; Y247-F273 HydrophobicContact CE1-CB 4.19Å; Y247-F273 AromaticContact CE1-CD1 3.94Å; Y247-F273 HydrophobicContact CE1-CD1 3.94Å; Y247-F273 HydrophobicContact CE1-CD2 4.14Å; Y247-F273 HydrophobicContact CE1-CE1 4.47Å; Y247-F273 AromaticContact CE1-CG 3.78Å; Y247-F273 HydrophobicContact CE1-CG 3.78Å; Y247-F273 HydrophobicContact CE2-CB 3.89Å; Y247-F273 HydrophobicContact CE2-CG 4.34Å; Y247-F273 HydrophobicContact CG-CB 4.08Å; Y247-F273 AromaticContact CG-CD2 3.58Å; Y247-F273 HydrophobicContact CG-CD2 3.58Å; Y247-F273 HydrophobicContact CG-CE2 4.3Å; Y247-F273 AromaticContact CG-CG 3.87Å; Y247-F273 HydrophobicContact CG-CG 3.87Å; Y247-I366 HydrophobicContact CD2-CB 4.13Å; Y247-I366 HydrophobicContact CD2-CG2 3.97Å
248D98.7Very high92Very high32 Ų3247.6 Ų47.617%0.17125%0.251CS..  trans-137.4127.9172-172.2-40.2000108.3K250 M251 A290D248-K250 PolarHBondContact O-N 2.95Å; D248-K250 WeakPolarHBondContact OD1-CB 3.32Å; D248-K250 VanDerWaalsContact OD1-CG 3.32Å; D248-K250 WeakPolarHBondContact OD1-CG 3.34Å; D248-K250 PolarHBondContact OD1-N 2.92Å; D248-K250 IonicContact OD2-NZ 2.85Å; D248-M251 HydrophobicContact CB-CE 4.24Å; D248-M251 WeakPolarHBondContact O-CE 3.34Å; D248-M251 PolarHBondContact O-N 2.9Å; D248-A290 HydrophobicContact CB-CB 3.63Å
249E98.5Very high93.8Very high141 Ų14147.7 Ų47.766%0.65925%0.247SC*.G310 helixtrans-63.2-21.7-177.764.7-176.5171.400113.2Y247 M251 M252Y247-E249 HydrophobicContact CE1-CB 4.47Å; E249-M251 PolarHBondContact O-N 3.24Å; E249-M252 WeakPolarHBondContact O-CB 3.18Å; E249-M252 VanDerWaalsContact O-CG 3.28Å; E249-M252 WeakPolarHBondContact O-CG 3.16Å; E249-M252 PolarHBondContact O-N 3.44Å
250K98.7Very high94.9Very high101 Ų10155.5 Ų55.544%0.43927%0.268SS..G310 helixtrans-61.3-25.8176.8-68.6167.7-171.1150.80113.2D248 M252 E253 C340 L343D248-K250 PolarHBondContact O-N 2.95Å; D248-K250 WeakPolarHBondContact OD1-CB 3.32Å; D248-K250 VanDerWaalsContact OD1-CG 3.32Å; D248-K250 WeakPolarHBondContact OD1-CG 3.34Å; D248-K250 PolarHBondContact OD1-N 2.92Å; D248-K250 IonicContact OD2-NZ 2.85Å; K250-M252 PolarHBondContact O-N 3.48Å; K250-M252 VanDerWaalsContact O-N 3.1Å; K250-E253 WeakPolarHBondContact O-CB 3.43Å; K250-E253 WeakPolarHBondContact O-CG 3.34Å; K250-E253 PolarHBondContact O-N 3.04Å; K250-C340 PolarHBondContact O-SG 3.27Å; K250-C340 VanDerWaalsContact O-SG 3.34Å; K250-L343 HydrophobicContact CB-CD1 3.62Å; K250-L343 HydrophobicContact CD-CD1 4.4Å
251M98.8Very high95.9Very high0 Ų060.9 Ų60.90%028%0.283CS..G310 helixtrans-62.8-13.7172-70.7-177.2-70.100112.4D248 E249 E253 I269 L343 A344 I366 V367 R368D248-M251 HydrophobicContact CB-CE 4.24Å; D248-M251 WeakPolarHBondContact O-CE 3.34Å; D248-M251 PolarHBondContact O-N 2.9Å; E249-M251 PolarHBondContact O-N 3.24Å; M251-E253 VanDerWaalsContact C-N 3.31Å; M251-I269 HydrophobicContact CB-CD1 3.68Å; M251-L343 HydrophobicContact CG-CB 3.72Å; M251-L343 HydrophobicContact CG-CD1 4.11Å; M251-L343 HydrophobicContact SD-CB 4.13Å; M251-A344 HydrophobicContact SD-CB 4.32Å; M251-I366 WeakPolarHBondContact CE-O 3.45Å; M251-V367 HydrophobicContact CE-CB 4.39Å; M251-V367 HydrophobicContact CE-CG1 4.05Å; M251-V367 HydrophobicContact SD-CB 3.87Å; M251-V367 HydrophobicContact SD-CG1 3.89Å; M251-R368 HydrophobicContact CB-CG 4.02Å; M251-R368 WeakPolarHBondContact CB-O 3.35Å; M251-R368 VanDerWaalsContact O-CG 3.3Å; M251-R368 WeakPolarHBondContact O-CG 3.23Å; M251-R368 PolarHBondContact O-NH1 2.96Å
252M98.8Very high96.6Very high51 Ų5160.9 Ų60.925%0.25128%0.282SS..G310 helixtrans-73.5-17.2170.7-63.2-174.66500113.8E249 K250 H254 P266 I269 S270E249-M252 WeakPolarHBondContact O-CB 3.18Å; E249-M252 VanDerWaalsContact O-CG 3.28Å; E249-M252 WeakPolarHBondContact O-CG 3.16Å; E249-M252 PolarHBondContact O-N 3.44Å; K250-M252 PolarHBondContact O-N 3.48Å; K250-M252 VanDerWaalsContact O-N 3.1Å; M252-H254 VanDerWaalsContact C-N 3.26Å; M252-H254 PolarHBondContact O-N 3.1Å; M252-P266 HydrophobicContact CB-CB 3.81Å; M252-P266 HydrophobicContact CE-CB 3.85Å; M252-P266 HydrophobicContact CG-CB 4.16Å; M252-P266 WeakPolarHBondContact O-CB 3.24Å; M252-P266 VanDerWaalsContact O-CG 3.29Å; M252-P266 WeakPolarHBondContact O-CG 3.45Å; M252-I269 HydrophobicContact CG-CD1 3.63Å; M252-I269 HydrophobicContact CG-CG1 3.86Å; M252-S270 WeakPolarHBondContact CE-OG 3.48Å
253E98.5Very high96.8Very high94 Ų9459.7 Ų59.744%0.43928%0.275SS..G310 helixtrans-71.7-19.9-175.2-62.7178.2-161.400113.3K250 M251 V255 Q336K250-E253 WeakPolarHBondContact O-CB 3.43Å; K250-E253 WeakPolarHBondContact O-CG 3.34Å; K250-E253 PolarHBondContact O-N 3.04Å; M251-E253 VanDerWaalsContact C-N 3.31Å; E253-V255 PolarHBondContact O-N 3.45Å; E253-Q336 HydrophobicContact CB-CB 3.76Å; E253-Q336 HydrophobicContact CB-CG 3.8Å; E253-Q336 VanDerWaalsContact OE2-CG 3.28Å; E253-Q336 WeakPolarHBondContact OE2-CG 3.31Å
254H98Very high96.8Very high0 Ų059.7 Ų59.70%028%0.275CS..  trans-68.6112.8169.3173.131.8000110.7M252 F332 S334 S337 C340 R368M252-H254 VanDerWaalsContact C-N 3.26Å; M252-H254 PolarHBondContact O-N 3.1Å; H254-F332 AromaticContact CE1-CD2 3.52Å; H254-F332 AromaticContact CE1-CE2 3.06Å; H254-F332 WeakPolarHBondContact CE1-CE2 3.26Å; H254-F332 AromaticContact CE1-CZ 3.56Å; H254-F332 AromaticContact ND1-CE2 3.61Å; H254-F332 AromaticContact NE2-CE2 3.56Å; H254-F332 AromaticContact NE2-CZ 3.55Å; H254-S334 WeakPolarHBondContact CA-OG 3.39Å; H254-S334 PolarHBondContact ND1-OG 2.83Å; H254-S337 PolarHBondContact CE1-OG 3.2Å; H254-S337 PolarHBondContact ND1-OG 2.86Å; H254-C340 HydrophobicContact CB-CB 3.87Å; H254-C340 PolarHBondContact N-SG 2.89Å; H254-C340 VanDerWaalsContact N-SG 3.44Å; H254-R368 VanDerWaalsContact O-CZ 3.26Å; H254-R368 PolarHBondContact O-NH1 3.46Å; H254-R368 PolarHBondContact O-NH2 2.87Å
255V96.9Very high96.7Very high49 Ų4962.5 Ų62.530%0.29729%0.288SS..  trans-135.9149.9-174.7-69.70000112.9E253 L257 P266 F332 S334E253-V255 PolarHBondContact O-N 3.45Å; V255-L257 HydrophobicContact CG2-CD2 3.7Å; V255-L257 HydrophobicContact CG2-CG 4.41Å; V255-L257 PolarHBondContact O-N 2.8Å; V255-P266 HydrophobicContact CG1-CG 3.62Å; V255-F332 VanDerWaalsContact C-CE2 3.46Å; V255-S334 PolarHBondContact N-OG 3.02Å; V255-S334 WeakPolarHBondContact O-CB 3.49Å
256N96.8Very high96.7Very high33 Ų3363.4 Ų63.418%0.17629%0.294CS..  trans-81.3115.4166.5-169.3-30.5000108.9W258 D259 H262 F332N256-W258 VanDerWaalsContact C-N 3.3Å; N256-W258 PolarHBondContact O-N 2.83Å; N256-W258 PolarHBondContact OD1-N 3.29Å; N256-D259 WeakPolarHBondContact CB-O 3.21Å; N256-D259 PolarHBondContact OD1-N 3.09Å; N256-H262 HydrophobicContact CB-CB 4.06Å; N256-H262 PolarHBondContact ND2-CD2 3.34Å; N256-F332 VanDerWaalsContact CA-CD2 3.45Å; N256-F332 HydrophobicContact CB-CB 4.37Å; N256-F332 HydrophobicContact CB-CD1 4.49Å; N256-F332 HydrophobicContact CB-CD2 3.52Å; N256-F332 HydrophobicContact CB-CE2 3.85Å; N256-F332 HydrophobicContact CB-CG 3.87Å; N256-F332 HydrophobicContact CB-CZ 4.49Å; N256-F332 VanDerWaalsContact N-CE2 3.33Å
257L94.6Very high96.7Very high86 Ų8667.4 Ų67.445%0.4531%0.312SS..SBendtrans-81.2-8.3-176.4-61.9174.7000113.5V255 P318V255-L257 HydrophobicContact CG2-CD2 3.7Å; V255-L257 HydrophobicContact CG2-CG 4.41Å; V255-L257 PolarHBondContact O-N 2.8Å; L257-P318 HydrophobicContact CD1-CB 4.15Å; L257-P318 HydrophobicContact CD1-CG 4.36Å
258W94Very high96.7Very high101 Ų10166 Ų6638%0.38331%0.307SS..SBendtrans-115.9-37.3-174.4-61-79.8000113.4N256 P318 L321 H322N256-W258 VanDerWaalsContact C-N 3.3Å; N256-W258 PolarHBondContact O-N 2.83Å; N256-W258 PolarHBondContact OD1-N 3.29Å; W258-P318 HydrophobicContact CH2-CB 4.23Å; W258-P318 WeakPolarHBondContact CH2-O 3.47Å; W258-P318 VanDerWaalsContact CZ2-C 3.5Å; W258-P318 HydrophobicContact CZ2-CB 3.75Å; W258-P318 WeakPolarHBondContact CZ2-O 3.43Å; W258-L321 HydrophobicContact CH2-CB 4.12Å; W258-H322 HydrophobicContact CD2-CB 3.95Å; W258-H322 AromaticContact CD2-CG 3.83Å; W258-H322 AromaticContact CD2-ND1 3.51Å; W258-H322 AromaticContact CE2-CG 3.96Å; W258-H322 HydrophobicContact CE3-CB 4.06Å; W258-H322 AromaticContact CE3-ND1 3.57Å; W258-H322 AromaticContact CG-ND1 3.82Å; W258-H322 HydrophobicContact CH2-CB 3.77Å; W258-H322 HydrophobicContact CZ2-CB 3.66Å; W258-H322 HydrophobicContact CZ3-CB 3.95Å
259D93Very high96.7Very high66 Ų6664.4 Ų64.435%0.35330%0.298SS..  trans-114.7114.9174.6-179.218.9000111.2N256 H261 H262N256-D259 WeakPolarHBondContact CB-O 3.21Å; N256-D259 PolarHBondContact OD1-N 3.09Å; D259-H261 PolarHBondContact OD1-N 2.79Å; D259-H261 IonicContact OD1-ND1 3.74Å; D259-H262 HydrophobicContact CB-CB 4.3Å; D259-H262 WeakPolarHBondContact OD2-CA 3.46Å; D259-H262 PolarHBondContact OD2-N 3.5Å
260R89Confident96.7Very high236 Ų23659.2 Ų59.289%0.89128%0.277SS*.THydrogen-bonded Turntrans-83.7-11177.5-64.7-176.8178.9-175.8-1.2113.5
261H91.3Very high96.7Very high171 Ų17159.8 Ų59.879%0.79228%0.28SS*.THydrogen-bonded Turntrans-101.76.9177.9-50.598.6000111.9D259D259-H261 PolarHBondContact OD1-N 2.79Å; D259-H261 IonicContact OD1-ND1 3.74Å
262H96.8Very high96.7Very high28 Ų2859.8 Ų59.813%0.1328%0.28CS..  trans-57.2129.3178.9-169.6-86.2000110.6N256 D259 E264 F332 F382N256-H262 HydrophobicContact CB-CB 4.06Å; N256-H262 PolarHBondContact ND2-CD2 3.34Å; D259-H262 HydrophobicContact CB-CB 4.3Å; D259-H262 WeakPolarHBondContact OD2-CA 3.46Å; D259-H262 PolarHBondContact OD2-N 3.5Å; H262-E264 PolarHBondContact ND1-N 2.91Å; H262-E264 PolarHBondContact O-N 3.23Å; H262-F332 AromaticContact CE1-CD1 3.47Å; H262-F332 VanDerWaalsContact CE1-CD1 3.47Å; H262-F332 WeakPolarHBondContact CE1-CD1 3.36Å; H262-F332 AromaticContact CE1-CE1 3.19Å; H262-F332 WeakPolarHBondContact CE1-CE1 3.16Å; H262-F332 AromaticContact ND1-CD1 3.87Å; H262-F332 AromaticContact ND1-CE1 3.42Å; H262-F332 WeakPolarHBondContact ND1-CE1 3.19Å; H262-F332 AromaticContact NE2-CD1 3.71Å; H262-F332 AromaticContact NE2-CE1 3.92Å; H262-F382 AromaticContact CE1-CD1 3.47Å; H262-F382 VanDerWaalsContact CE1-CD1 3.47Å; H262-F382 WeakPolarHBondContact CE1-CD1 3.42Å; H262-F382 AromaticContact CE1-CE1 3.25Å; H262-F382 WeakPolarHBondContact CE1-CE1 3.48Å; H262-F382 AromaticContact CE1-CZ 3.86Å; H262-F382 AromaticContact NE2-CD1 3.81Å; H262-F382 AromaticContact NE2-CE1 3.27Å; H262-F382 VanDerWaalsContact NE2-CE1 3.27Å; H262-F382 WeakPolarHBondContact NE2-CE1 3.25Å
263P97Very high96.7Very high32 Ų3258.5 Ų58.521%0.20827%0.273CS..SBendtrans-65-36.6-16923.6-34000113.1Q265 F382 L512 Y545P263-Q265 VanDerWaalsContact C-N 3.27Å; P263-Q265 PolarHBondContact O-N 3.18Å; P263-F382 HydrophobicContact CG-CZ 4.24Å; P263-L512 HydrophobicContact CB-CD1 4.26Å; P263-L512 HydrophobicContact CG-CD1 4.02Å; P263-Y545 HydrophobicContact CB-CD1 3.76Å; P263-Y545 HydrophobicContact CB-CG 3.86Å; P263-Y545 WeakPolarHBondContact O-CD1 3.1Å
264E98.1Very high96.7Very high2 Ų255.9 Ų55.91%0.00927%0.265CS..SBendtrans-74.681.4171.9-149.8-62.1109.800109.9H262 R268 F332 R368 F382 Y545H262-E264 PolarHBondContact ND1-N 2.91Å; H262-E264 PolarHBondContact O-N 3.23Å; E264-R268 IonicContact OE1-CZ 3.32Å; E264-R268 IonicContact OE1-NE 3.95Å; E264-R268 IonicContact OE1-NH1 3.75Å; E264-R268 PolarHBondContact OE1-NH1 3.41Å; E264-F332 HydrophobicContact CB-CE1 4.16Å; E264-F332 HydrophobicContact CB-CZ 4.36Å; E264-R368 IonicContact OE1-CZ 3.26Å; E264-R368 IonicContact OE1-NE 3.54Å; E264-R368 PolarHBondContact OE1-NE 3.44Å; E264-R368 IonicContact OE1-NH2 3.62Å; E264-R368 IonicContact OE2-CZ 2.61Å; E264-R368 IonicContact OE2-NE 2.66Å; E264-R368 PolarHBondContact OE2-NE 3.22Å; E264-R368 IonicContact OE2-NH2 3.34Å; E264-R368 PolarHBondContact OE2-NH2 3.02Å; E264-F382 HydrophobicContact CB-CB 4.33Å; E264-F382 HydrophobicContact CB-CD1 4.5Å; E264-F382 HydrophobicContact CB-CD2 4.01Å; E264-F382 HydrophobicContact CB-CG 4.01Å; E264-F382 HydrophobicContact CG-CB 4.08Å; E264-F382 HydrophobicContact CG-CD2 4.23Å; E264-F382 HydrophobicContact CG-CG 4.24Å; E264-Y545 HydrophobicContact CB-CE1 4.25Å; E264-Y545 HydrophobicContact CG-CE1 4.38Å
265Q97.2Very high96.8Very high58 Ų5858.3 Ų58.327%0.27128%0.276SS..  trans-105.8147.5-176.964.6-177.2-57.100112.2P263 Q267 R268 L547P263-Q265 VanDerWaalsContact C-N 3.27Å; P263-Q265 PolarHBondContact O-N 3.18Å; Q265-Q267 HydrophobicContact CG-CB 4.23Å; Q265-Q267 PolarHBondContact O-N 3.17Å; Q265-R268 HydrophobicContact CG-CG 3.99Å; Q265-R268 WeakPolarHBondContact O-CB 3.41Å; Q265-R268 WeakPolarHBondContact O-CD 3.49Å; Q265-R268 WeakPolarHBondContact O-CG 3.45Å; Q265-R268 PolarHBondContact O-N 2.83Å; Q265-L547 HydrophobicContact CG-CD2 4.18Å
266P98.4Very high96.9Very high19 Ų1956 Ų5612%0.12326%0.262CS..THydrogen-bonded Turntrans-53.6-30.9178.1-27.834000115.4M252 V255 R268 I269M252-P266 HydrophobicContact CB-CB 3.81Å; M252-P266 HydrophobicContact CE-CB 3.85Å; M252-P266 HydrophobicContact CG-CB 4.16Å; M252-P266 WeakPolarHBondContact O-CB 3.24Å; M252-P266 VanDerWaalsContact O-CG 3.29Å; M252-P266 WeakPolarHBondContact O-CG 3.45Å; V255-P266 HydrophobicContact CG1-CG 3.62Å; P266-R268 PolarHBondContact O-N 3.47Å; P266-R268 VanDerWaalsContact O-N 3.14Å; P266-I269 WeakPolarHBondContact O-CG1 3.38Å; P266-I269 PolarHBondContact O-N 3.1Å
267Q98.6Very high96.9Very high84 Ų8459.7 Ų59.739%0.39328%0.278SS..Hα-helixtrans-62.2-18.6-178.8-70.972.98.700112.6Q265 K271 L547Q265-Q267 HydrophobicContact CG-CB 4.23Å; Q265-Q267 PolarHBondContact O-N 3.17Å; Q267-K271 VanDerWaalsContact O-CB 3.23Å; Q267-K271 WeakPolarHBondContact O-CB 3.33Å; Q267-K271 WeakPolarHBondContact O-CG 3.34Å; Q267-K271 PolarHBondContact O-N 3.17Å; Q267-L547 HydrophobicContact CB-CD1 3.99Å; Q267-L547 HydrophobicContact CB-CD2 4.14Å
268R98.8Very high97.1Very high1 Ų162.5 Ų62.50%0.00429%0.289CS..Hα-helixtrans-53.8-56.4176.5-68169.769-118.2-8111.3E264 Q265 P266 I272 E542 G543 G544 L547 I550E264-R268 IonicContact OE1-CZ 3.32Å; E264-R268 IonicContact OE1-NE 3.95Å; E264-R268 IonicContact OE1-NH1 3.75Å; E264-R268 PolarHBondContact OE1-NH1 3.41Å; Q265-R268 HydrophobicContact CG-CG 3.99Å; Q265-R268 WeakPolarHBondContact O-CB 3.41Å; Q265-R268 WeakPolarHBondContact O-CD 3.49Å; Q265-R268 WeakPolarHBondContact O-CG 3.45Å; Q265-R268 PolarHBondContact O-N 2.83Å; P266-R268 PolarHBondContact O-N 3.47Å; P266-R268 VanDerWaalsContact O-N 3.14Å; R268-I272 WeakPolarHBondContact O-CD1 3.32Å; R268-I272 VanDerWaalsContact O-CG1 3.26Å; R268-I272 WeakPolarHBondContact O-CG1 3.47Å; R268-I272 PolarHBondContact O-N 2.83Å; R268-E542 PolarHBondContact NH2-O 3.25Å; R268-G543 VanDerWaalsContact NH2-C 3.25Å; R268-G543 PolarHBondContact NH2-O 3.4Å; R268-G544 PolarHBondContact NE-O 2.91Å; R268-G544 PolarHBondContact NH2-O 3.24Å; R268-G544 VanDerWaalsContact NH2-O 3.11Å; R268-L547 HydrophobicContact CB-CD2 4.37Å; R268-L547 HydrophobicContact CG-CD2 3.9Å; R268-I550 HydrophobicContact CB-CD1 3.8Å; R268-I550 HydrophobicContact CG-CD1 3.88Å
269I98.8Very high97.3Very high0 Ų061.8 Ų61.80%029%0.29CS..Hα-helixtrans-71.2-36.2-17656.3162000113.1Y247 M251 M252 P266 F273 I366 R368 L541Y247-I269 HydrophobicContact CD2-CB 4.38Å; Y247-I269 HydrophobicContact CE2-CB 3.95Å; Y247-I269 HydrophobicContact CE2-CD1 3.91Å; Y247-I269 HydrophobicContact CE2-CG1 4.06Å; M251-I269 HydrophobicContact CB-CD1 3.68Å; M252-I269 HydrophobicContact CG-CD1 3.63Å; M252-I269 HydrophobicContact CG-CG1 3.86Å; P266-I269 WeakPolarHBondContact O-CG1 3.38Å; P266-I269 PolarHBondContact O-N 3.1Å; I269-F273 WeakPolarHBondContact O-CB 3.29Å; I269-F273 PolarHBondContact O-N 2.77Å; I269-I366 HydrophobicContact CB-CG2 3.85Å; I269-I366 HydrophobicContact CG2-CG2 3.97Å; I269-R368 HydrophobicContact CD1-CG 3.87Å; I269-R368 HydrophobicContact CG1-CG 4.17Å; I269-R368 HydrophobicContact CG2-CB 4.06Å; I269-R368 HydrophobicContact CG2-CG 3.88Å; I269-L541 HydrophobicContact CG2-CD2 3.78Å
270S98.8Very high97.6Very high31 Ų3160.1 Ų60.122%0.21729%0.288CS..Hα-helixtrans-78-28.5-179.457.60000113.4M252 S274M252-S270 WeakPolarHBondContact CE-OG 3.48Å; S270-S274 VanDerWaalsContact O-CB 3.22Å; S270-S274 WeakPolarHBondContact O-CB 3.42Å; S270-S274 PolarHBondContact O-N 2.91Å
271K98.8Very high98.1Very high114 Ų11449.1 Ų49.150%0.49625%0.247SC..Hα-helixtrans-69.7-43.9170.7-72.3-65.8-173.8179.30112Q267 S274 K275 L547 S551Q267-K271 VanDerWaalsContact O-CB 3.23Å; Q267-K271 WeakPolarHBondContact O-CB 3.33Å; Q267-K271 WeakPolarHBondContact O-CG 3.34Å; Q267-K271 PolarHBondContact O-N 3.17Å; K271-S274 PolarHBondContact O-N 2.87Å; K271-K275 WeakPolarHBondContact O-CB 3.33Å; K271-K275 PolarHBondContact O-N 2.95Å; K271-L547 HydrophobicContact CG-CB 4.42Å; K271-L547 HydrophobicContact CG-CD1 4.32Å; K271-S551 VanDerWaalsContact C-OG 3.27Å; K271-S551 PolarHBondContact O-OG 3.46Å
272I98.9Very high98.4Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-55.5-56.7171.1-69.6166000109.7R268 S274 K275 L276 I366 L541 I550 S551 M554R268-I272 WeakPolarHBondContact O-CD1 3.32Å; R268-I272 VanDerWaalsContact O-CG1 3.26Å; R268-I272 WeakPolarHBondContact O-CG1 3.47Å; R268-I272 PolarHBondContact O-N 2.83Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 3.43Å; I272-K275 WeakPolarHBondContact O-CB 3.47Å; I272-K275 PolarHBondContact O-N 3.43Å; I272-K275 VanDerWaalsContact O-N 3.09Å; I272-L276 HydrophobicContact CG2-CD1 3.96Å; I272-L276 WeakPolarHBondContact O-CD1 3.32Å; I272-L276 PolarHBondContact O-N 3.37Å; I272-I366 HydrophobicContact CB-CG2 4.04Å; I272-I366 HydrophobicContact CG2-CD1 3.97Å; I272-I366 HydrophobicContact CG2-CG1 4Å; I272-I366 HydrophobicContact CG2-CG2 3.74Å; I272-L541 HydrophobicContact CD1-CD1 4Å; I272-L541 HydrophobicContact CD1-CD2 3.57Å; I272-L541 HydrophobicContact CD1-CG 4.46Å; I272-I550 HydrophobicContact CD1-CB 4.3Å; I272-I550 HydrophobicContact CD1-CD1 4.07Å; I272-I550 HydrophobicContact CD1-CG1 4.03Å; I272-I550 HydrophobicContact CG1-CB 4.48Å; I272-I550 HydrophobicContact CG1-CD1 4.3Å; I272-I550 HydrophobicContact CG1-CG1 3.93Å; I272-S551 PolarHBondContact N-OG 3.25Å; I272-M554 HydrophobicContact CG1-CB 4.47Å; I272-M554 HydrophobicContact CG2-CB 3.88Å; I272-M554 HydrophobicContact CG2-CG 3.58Å
273F98.9Very high98.5Very high23 Ų2344.8 Ų44.810%0.10124%0.244CC..Hα-helixtrans-57.2-44.6-178.4-179.4-93.1000112.4L245 Y247 I269 K275 L276 E277 V282 I366L245-F273 HydrophobicContact CD2-CD2 4.26Å; L245-F273 HydrophobicContact CD2-CE2 4.1Å; Y247-F273 HydrophobicContact CD1-CB 4.21Å; Y247-F273 HydrophobicContact CD1-CD1 4.11Å; Y247-F273 AromaticContact CD1-CD2 3.49Å; Y247-F273 HydrophobicContact CD1-CD2 3.49Å; Y247-F273 VanDerWaalsContact CD1-CD2 3.49Å; Y247-F273 HydrophobicContact CD1-CE1 4.49Å; Y247-F273 AromaticContact CD1-CE2 3.91Å; Y247-F273 HydrophobicContact CD1-CE2 3.91Å; Y247-F273 AromaticContact CD1-CG 3.62Å; Y247-F273 HydrophobicContact CD1-CG 3.62Å; Y247-F273 HydrophobicContact CD1-CZ 4.4Å; Y247-F273 HydrophobicContact CD2-CB 3.93Å; Y247-F273 HydrophobicContact CD2-CD2 4.27Å; Y247-F273 HydrophobicContact CD2-CG 4.23Å; Y247-F273 HydrophobicContact CE1-CB 4.19Å; Y247-F273 AromaticContact CE1-CD1 3.94Å; Y247-F273 HydrophobicContact CE1-CD1 3.94Å; Y247-F273 HydrophobicContact CE1-CD2 4.14Å; Y247-F273 HydrophobicContact CE1-CE1 4.47Å; Y247-F273 AromaticContact CE1-CG 3.78Å; Y247-F273 HydrophobicContact CE1-CG 3.78Å; Y247-F273 HydrophobicContact CE2-CB 3.89Å; Y247-F273 HydrophobicContact CE2-CG 4.34Å; Y247-F273 HydrophobicContact CG-CB 4.08Å; Y247-F273 AromaticContact CG-CD2 3.58Å; Y247-F273 HydrophobicContact CG-CD2 3.58Å; Y247-F273 HydrophobicContact CG-CE2 4.3Å; Y247-F273 AromaticContact CG-CG 3.87Å; Y247-F273 HydrophobicContact CG-CG 3.87Å; I269-F273 WeakPolarHBondContact O-CB 3.29Å; I269-F273 PolarHBondContact O-N 2.77Å; F273-K275 PolarHBondContact O-N 2.76Å; F273-L276 PolarHBondContact O-N 2.99Å; F273-E277 WeakPolarHBondContact O-CB 3.43Å; F273-E277 PolarHBondContact O-N 2.73Å; F273-V282 HydrophobicContact CD2-CG2 4.29Å; F273-V282 HydrophobicContact CE2-CG1 3.99Å; F273-V282 HydrophobicContact CE2-CG2 3.8Å; F273-V282 HydrophobicContact CZ-CG1 3.96Å; F273-V282 HydrophobicContact CZ-CG2 4.1Å; F273-I366 HydrophobicContact CB-CD1 4.41Å; F273-I366 HydrophobicContact CD2-CD1 4.27Å
274S98.8Very high98.6Very high39 Ų3948.7 Ų48.727%0.27325%0.254SS..Hα-helixtrans-65.2-34.9177.5-171.10000113S270 K271 I272 E277 Q278S270-S274 VanDerWaalsContact O-CB 3.22Å; S270-S274 WeakPolarHBondContact O-CB 3.42Å; S270-S274 PolarHBondContact O-N 2.91Å; K271-S274 PolarHBondContact O-N 2.87Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 3.43Å; S274-E277 PolarHBondContact O-N 3.33Å; S274-Q278 WeakPolarHBondContact O-CB 3.39Å; S274-Q278 WeakPolarHBondContact O-CG 3.42Å; S274-Q278 PolarHBondContact O-N 2.7Å; S274-Q278 PolarHBondContact O-NE2 2.86Å; S274-Q278 PolarHBondContact OG-NE2 3.29Å
275K98.8Very high98.6Very high52 Ų5249.1 Ų49.123%0.22626%0.258CS..Hα-helixtrans-65.4-46.4175.2179.972.5-175.8-148.90111.6K271 I272 F273 E277 Q278 Q279 D552 A555K271-K275 WeakPolarHBondContact O-CB 3.33Å; K271-K275 PolarHBondContact O-N 2.95Å; I272-K275 WeakPolarHBondContact O-CB 3.47Å; I272-K275 PolarHBondContact O-N 3.43Å; I272-K275 VanDerWaalsContact O-N 3.09Å; F273-K275 PolarHBondContact O-N 2.76Å; K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 3.17Å; K275-Q278 PolarHBondContact O-N 2.61Å; K275-Q279 PolarHBondContact O-N 2.81Å; K275-D552 WeakPolarHBondContact CE-OD1 3.15Å; K275-D552 IonicContact NZ-OD1 3.47Å; K275-D552 PolarHBondContact NZ-OD1 3.16Å; K275-A555 HydrophobicContact CG-CB 4.12Å
276L98.8Very high98.6Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-62.3-34.9175.6-84.666.9000111.3L245 I272 F273 G280 L281 V282 I366 A555 T558L245-L276 HydrophobicContact CD1-CD2 3.72Å; I272-L276 HydrophobicContact CG2-CD1 3.96Å; I272-L276 WeakPolarHBondContact O-CD1 3.32Å; I272-L276 PolarHBondContact O-N 3.37Å; F273-L276 PolarHBondContact O-N 2.99Å; L276-G280 PolarHBondContact O-N 3.47Å; L276-L281 HydrophobicContact CB-CB 4.2Å; L276-L281 HydrophobicContact CG-CB 4.31Å; L276-L281 HydrophobicContact CG-CD1 4.18Å; L276-L281 WeakPolarHBondContact O-CB 3.5Å; L276-L281 PolarHBondContact O-N 3.47Å; L276-V282 HydrophobicContact CB-CG2 3.76Å; L276-V282 PolarHBondContact O-N 2.92Å; L276-I366 HydrophobicContact CD2-CD1 4.01Å; L276-A555 HydrophobicContact CD1-CB 3.78Å; L276-A555 HydrophobicContact CG-CB 4.46Å; L276-T558 HydrophobicContact CD2-CG2 3.89Å; L276-T558 HydrophobicContact CG-CG2 4.5Å
277E98.6Very high98.6Very high110 Ų11055.5 Ų55.551%0.51428%0.281SS..Hα-helixtrans-69.2-46175.8-172.4172.4-111.400111.7F273 S274 K275 Q279 G280 V282F273-E277 WeakPolarHBondContact O-CB 3.43Å; F273-E277 PolarHBondContact O-N 2.73Å; S274-E277 PolarHBondContact O-N 3.33Å; K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 3.17Å; E277-Q279 VanDerWaalsContact C-N 3.26Å; E277-Q279 PolarHBondContact O-N 2.95Å; E277-G280 PolarHBondContact O-N 3.11Å; E277-V282 HydrophobicContact CB-CB 4.44Å; E277-V282 HydrophobicContact CB-CG2 4.01Å
278Q98.6Very high98.6Very high145 Ų14552.3 Ų52.368%0.67827%0.266SS*.Hα-helixtrans-59.6-33.7176.1-73.1164.833.300113S274 K275 G280S274-Q278 WeakPolarHBondContact O-CB 3.39Å; S274-Q278 WeakPolarHBondContact O-CG 3.42Å; S274-Q278 PolarHBondContact O-N 2.7Å; S274-Q278 PolarHBondContact O-NE2 2.86Å; S274-Q278 PolarHBondContact OG-NE2 3.29Å; K275-Q278 PolarHBondContact O-N 2.61Å; Q278-G280 VanDerWaalsContact C-N 3.32Å
279Q98.4Very high98.6Very high87 Ų8756.5 Ų56.541%0.40729%0.294SS..THydrogen-bonded Turntrans-87.64.1175.5-70.7-178.1-32.800113.7K275 E277 L281 A555K275-Q279 PolarHBondContact O-N 2.81Å; E277-Q279 VanDerWaalsContact C-N 3.26Å; E277-Q279 PolarHBondContact O-N 2.95Å; Q279-L281 HydrophobicContact CB-CD1 4.3Å; Q279-L281 HydrophobicContact CB-CG 4.01Å; Q279-L281 PolarHBondContact O-N 3.49Å; Q279-A555 VanDerWaalsContact OE1-CB 3.22Å
280G98.5Very high98.6Very high31 Ų3157.7 Ų57.732%0.3230%0.304SS..THydrogen-bonded Turntrans71.44.8179.900000115.1L276 E277 Q278 V282 A283 R284L276-G280 PolarHBondContact O-N 3.47Å; E277-G280 PolarHBondContact O-N 3.11Å; Q278-G280 VanDerWaalsContact C-N 3.32Å; G280-V282 PolarHBondContact O-N 3.18Å; G280-A283 PolarHBondContact O-N 3.05Å; G280-R284 PolarHBondContact O-N 3.09Å
281L98.7Very high98.6Very high5 Ų559 Ų593%0.02630%0.304CS..Hα-helixtrans-65.7-39.1-179.4-55.8179.6000111.3L276 Q279 A283 R284 C285 A555 T558 L562L276-L281 HydrophobicContact CB-CB 4.2Å; L276-L281 HydrophobicContact CG-CB 4.31Å; L276-L281 HydrophobicContact CG-CD1 4.18Å; L276-L281 WeakPolarHBondContact O-CB 3.5Å; L276-L281 PolarHBondContact O-N 3.47Å; Q279-L281 HydrophobicContact CB-CD1 4.3Å; Q279-L281 HydrophobicContact CB-CG 4.01Å; Q279-L281 PolarHBondContact O-N 3.49Å; L281-A283 PolarHBondContact O-N 2.85Å; L281-R284 PolarHBondContact O-N 2.89Å; L281-C285 PolarHBondContact O-N 3.4Å; L281-C285 VanDerWaalsContact O-N 3.07Å; L281-C285 PolarHBondContact O-SG 2.68Å; L281-A555 HydrophobicContact CD1-CB 4.07Å; L281-A555 WeakPolarHBondContact CD1-O 3.37Å; L281-T558 HydrophobicContact CB-CG2 4.36Å; L281-L562 HydrophobicContact CB-CD1 4.24Å; L281-L562 HydrophobicContact CD2-CD1 4Å
282V98.7Very high98.6Very high14 Ų1457.1 Ų57.19%0.08530%0.298CS..Hα-helixtrans-57.3-34.6175.7175.60000112.3L245 F273 L276 E277 G280 R284L245-V282 HydrophobicContact CD1-CG2 4.05Å; F273-V282 HydrophobicContact CD2-CG2 4.29Å; F273-V282 HydrophobicContact CE2-CG1 3.99Å; F273-V282 HydrophobicContact CE2-CG2 3.8Å; F273-V282 HydrophobicContact CZ-CG1 3.96Å; F273-V282 HydrophobicContact CZ-CG2 4.1Å; L276-V282 HydrophobicContact CB-CG2 3.76Å; L276-V282 PolarHBondContact O-N 2.92Å; E277-V282 HydrophobicContact CB-CB 4.44Å; E277-V282 HydrophobicContact CB-CG2 4.01Å; G280-V282 PolarHBondContact O-N 3.18Å; V282-R284 VanDerWaalsContact C-N 3.32Å
283A98.3Very high98.6Very high93 Ų9357.1 Ų57.177%0.76930%0.299SS*.Hα-helixtrans-77.9-17.4179.500000113.4G280 L281G280-A283 PolarHBondContact O-N 3.05Å; L281-A283 PolarHBondContact O-N 2.85Å
284R98.2Very high98.6Very high114 Ų11458.9 Ų58.943%0.4331%0.311SS..Hα-helixtrans-90-26175.2-64168.260.4-173.12112.2G280 L281 V282 L562 D564G280-R284 PolarHBondContact O-N 3.09Å; L281-R284 PolarHBondContact O-N 2.89Å; V282-R284 VanDerWaalsContact C-N 3.32Å; R284-L562 HydrophobicContact CB-CD1 3.86Å; R284-L562 HydrophobicContact CB-CD2 3.83Å; R284-D564 IonicContact CZ-OD1 2.76Å; R284-D564 IonicContact CZ-OD2 2.8Å; R284-D564 IonicContact NH1-OD1 3.82Å; R284-D564 PolarHBondContact NH1-OD1 2.88Å; R284-D564 IonicContact NH1-OD2 3.12Å; R284-D564 PolarHBondContact NH1-OD2 3.28Å; R284-D564 VanDerWaalsContact NH2-CG 3.25Å; R284-D564 IonicContact NH2-OD1 3.81Å; R284-D564 PolarHBondContact NH2-OD1 3.18Å; R284-D564 IonicContact NH2-OD2 3.53Å; R284-D564 PolarHBondContact NH2-OD2 2.87Å; R284-D564 VanDerWaalsContact NH2-OD2 3.17Å
285C98.6Very high98.5Very high12 Ų1260.3 Ų60.38%0.08131%0.314CS..SBendtrans-80.6149.6176.6-650000113.3T243 L245 L281T243-C285 CarbonylContact O-C 3.57Å; T243-C285 VanDerWaalsContact O-CA 3.32Å; T243-C285 WeakPolarHBondContact O-CA 3.44Å; L245-C285 HydrophobicContact CB-CB 3.57Å; L245-C285 HydrophobicContact CD1-CB 4.23Å; L281-C285 PolarHBondContact O-N 3.4Å; L281-C285 VanDerWaalsContact O-N 3.07Å; L281-C285 PolarHBondContact O-SG 2.68Å
286H98.3Very high98.5Very high99 Ų9964.1 Ų64.146%0.45833%0.332SS..EExtended strand (participates in β ladder)trans-79.7119.7166.6-173.391.5000110.3T242 T243 G244 L245 I288 L360T242-H286 HydrophobicContact CG2-CB 4.32Å; T243-H286 PolarHBondContact O-N 3.03Å; G244-H286 CarbonylContact C-O 3.48Å; G244-H286 WeakPolarHBondContact CA-O 3.49Å; L245-H286 PolarHBondContact N-O 3.37Å; H286-I288 PolarHBondContact O-N 3.11Å; H286-L360 HydrophobicContact CB-CD2 3.83Å
287R98.3Very high98.5Very high112 Ų11265 Ų6542%0.42334%0.337SS..EExtended strand (participates in β ladder)trans-76.5113.2-178.4-69.7-68.9-73.5-90.65.8111.5L245L245-R287 WeakPolarHBondContact O-CA 3.32Å
288I98.6Very high98.5Very high16 Ų1659.8 Ų59.88%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-90.3131.9173.3-64.4-65.2000109L245 V246 H286 N350 V351 A354 L360L245-I288 PolarHBondContact O-N 3.44Å; V246-I288 HydrophobicContact CB-CB 4.26Å; V246-I288 HydrophobicContact CB-CG2 4.43Å; V246-I288 WeakPolarHBondContact CG2-O 3.29Å; H286-I288 PolarHBondContact O-N 3.11Å; I288-N350 HydrophobicContact CG2-CB 3.68Å; I288-V351 HydrophobicContact CB-CG2 4.04Å; I288-V351 HydrophobicContact CG1-CG2 4.2Å; I288-V351 HydrophobicContact CG2-CG2 3.82Å; I288-A354 HydrophobicContact CD1-CB 3.99Å; I288-L360 HydrophobicContact CD1-CD1 4.06Å; I288-L360 HydrophobicContact CG1-CD1 4.02Å
289P98.2Very high98.5Very high90 Ų9054.9 Ų54.958%0.58430%0.296SS*.PPolyproline II helixtrans-72.7138.6175.929.4-34.2000111.1N350P289-N350 PolarHBondContact O-ND2 3.18Å
290A98.4Very high98.5Very high25 Ų2552.8 Ų52.821%0.20729%0.287CS..PPolyproline II helixtrans-67.3151.9168.600000111.3V246 D248 L343 S347V246-A290 HydrophobicContact CG2-CB 4.18Å; D248-A290 HydrophobicContact CB-CB 3.63Å; A290-L343 HydrophobicContact CB-CD2 4.38Å; A290-S347 WeakPolarHBondContact CB-OG 3.2Å
291R98.6Very high98.5Very high59 Ų5952 Ų5222%0.22328%0.277CS..  trans-140.9165.2167.869.6169.917894.5-15.8110.5E297 L343 G346 N350 Y394R291-E297 IonicContact CZ-OE1 3.76Å; R291-E297 IonicContact CZ-OE2 2.78Å; R291-E297 IonicContact NH1-OE1 2.96Å; R291-E297 PolarHBondContact NH1-OE1 2.8Å; R291-E297 VanDerWaalsContact NH1-OE1 3.12Å; R291-E297 IonicContact NH1-OE2 3.43Å; R291-E297 PolarHBondContact NH1-OE2 3.27Å; R291-E297 IonicContact NH2-OE1 2.72Å; R291-E297 PolarHBondContact NH2-OE1 3.11Å; R291-E297 IonicContact NH2-OE2 2.76Å; R291-L343 WeakPolarHBondContact O-CA 3.41Å; R291-G346 WeakPolarHBondContact CG-O 3.4Å; R291-G346 CarbonylContact O-C 3.56Å; R291-G346 VanDerWaalsContact O-CA 3.29Å; R291-G346 WeakPolarHBondContact O-CA 3.12Å; R291-N350 WeakPolarHBondContact CD-OD1 3.39Å; R291-N350 PolarHBondContact NE-OD1 3.43Å; R291-Y394 PolarHBondContact NH2-OH 3.04Å
292L98.9Very high98.5Very high73 Ų7352 Ų5238%0.38228%0.277SS..PPolyproline II helixtrans-76.3137.3168.3-61.1170.7000109.8Q339 Q342 L343L292-Q339 HydrophobicContact CD2-CG 3.69Å; L292-Q342 HydrophobicContact CB-CB 4.17Å; L292-Q342 HydrophobicContact CD2-CB 3.63Å; L292-L343 HydrophobicContact CD2-CD2 3.73Å; L292-L343 HydrophobicContact CD2-CG 3.73Å; L292-L343 HydrophobicContact CG-CD2 4.26Å
293A98.8Very high98.5Very high1 Ų151.9 Ų51.91%0.00828%0.276CS..PPolyproline II helixtrans-69.6135.7161.200000110.3E297 L298 Q342 A345 F349A293-E297 VanDerWaalsContact CA-OE2 3.22Å; A293-E297 WeakPolarHBondContact CA-OE2 3.11Å; A293-L298 HydrophobicContact CB-CD2 4.07Å; A293-L298 HydrophobicContact CB-CG 4.35Å; A293-Q342 PolarHBondContact N-O 3.36Å; A293-Q342 PolarHBondContact O-NE2 2.75Å; A293-A345 HydrophobicContact CB-CB 3.8Å; A293-F349 HydrophobicContact CB-CD2 4.35Å; A293-F349 HydrophobicContact CB-CE2 3.61Å; A293-F349 HydrophobicContact CB-CZ 4.32Å
294T98.8Very high98.6Very high59 Ų5952.9 Ų52.936%0.36227%0.268SS..PPolyproline II helixtrans-77.7162.8175.686.80000111.3E296 E297 L298T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.39Å; T294-E296 PolarHBondContact OG1-N 3.46Å; T294-E296 PolarHBondContact OG1-OE2 2.83Å; T294-E297 PolarHBondContact N-OE2 3.09Å; T294-E297 WeakPolarHBondContact O-CB 3.48Å; T294-E297 PolarHBondContact O-N 2.86Å; T294-E297 VanDerWaalsContact O-N 3.09Å; T294-E297 PolarHBondContact OG1-N 2.79Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.05Å
295E98.4Very high98.6Very high70 Ų7053.6 Ų53.633%0.32728%0.276SS..Hα-helixtrans-64.4-31.1178.6-72.3165.8-12200111.8E297 L298 A299 I307 K311E295-E297 VanDerWaalsContact C-N 3.34Å; E295-L298 PolarHBondContact O-N 3.37Å; E295-A299 VanDerWaalsContact O-CB 3.25Å; E295-A299 WeakPolarHBondContact O-CB 3.24Å; E295-A299 PolarHBondContact O-N 3.25Å; E295-I307 HydrophobicContact CB-CG2 4.35Å; E295-I307 HydrophobicContact CG-CG2 3.95Å; E295-K311 WeakPolarHBondContact OE1-CE 3.46Å; E295-K311 IonicContact OE1-NZ 2.71Å; E295-K311 PolarHBondContact OE1-NZ 3.08Å; E295-K311 IonicContact OE2-NZ 2.8Å; E295-K311 PolarHBondContact OE2-NZ 3.3Å
296E98.4Very high98.6Very high131 Ų13153.1 Ų53.161%0.61227%0.273SS*.Hα-helixtrans-70.7-27.5173.3-53.777.3-170.100113.1T294T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.39Å; T294-E296 PolarHBondContact OG1-N 3.46Å; T294-E296 PolarHBondContact OG1-OE2 2.83Å
297E98.8Very high98.6Very high20 Ų2048.5 Ų48.59%0.09325%0.252CS..Hα-helixtrans-76.7-45.5172.1-65.6172.4147.700110.5R291 A293 T294 E295 A299 M300 F349 L390 Y394R291-E297 IonicContact CZ-OE1 3.76Å; R291-E297 IonicContact CZ-OE2 2.78Å; R291-E297 IonicContact NH1-OE1 2.96Å; R291-E297 PolarHBondContact NH1-OE1 2.8Å; R291-E297 VanDerWaalsContact NH1-OE1 3.12Å; R291-E297 IonicContact NH1-OE2 3.43Å; R291-E297 PolarHBondContact NH1-OE2 3.27Å; R291-E297 IonicContact NH2-OE1 2.72Å; R291-E297 PolarHBondContact NH2-OE1 3.11Å; R291-E297 IonicContact NH2-OE2 2.76Å; A293-E297 VanDerWaalsContact CA-OE2 3.22Å; A293-E297 WeakPolarHBondContact CA-OE2 3.11Å; T294-E297 PolarHBondContact N-OE2 3.09Å; T294-E297 WeakPolarHBondContact O-CB 3.48Å; T294-E297 PolarHBondContact O-N 2.86Å; T294-E297 VanDerWaalsContact O-N 3.09Å; T294-E297 PolarHBondContact OG1-N 2.79Å; E295-E297 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.4Å; E297-M300 HydrophobicContact CB-CE 4.2Å; E297-M300 VanDerWaalsContact O-CB 3.3Å; E297-M300 WeakPolarHBondContact O-CB 3.45Å; E297-M300 VanDerWaalsContact O-CE 3.3Å; E297-M300 WeakPolarHBondContact O-CE 3.2Å; E297-M300 VanDerWaalsContact O-CG 3.27Å; E297-M300 WeakPolarHBondContact O-CG 3.24Å; E297-M300 PolarHBondContact O-N 3.3Å; E297-M300 VanDerWaalsContact O-N 3.08Å; E297-F349 HydrophobicContact CB-CE2 3.69Å; E297-F349 HydrophobicContact CB-CZ 4.34Å; E297-F349 HydrophobicContact CG-CE2 4.2Å; E297-L390 VanDerWaalsContact O-CD2 3.28Å; E297-L390 WeakPolarHBondContact O-CD2 3.17Å; E297-Y394 HydrophobicContact CG-CD2 4.45Å; E297-Y394 HydrophobicContact CG-CE2 4.49Å; E297-Y394 WeakPolarHBondContact OE1-CE2 3.41Å
298L98.9Very high98.6Very high0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-58.2-36173.9-64.5176.9000112A293 T294 E295 M300 C301 H302 I307 F338 Q342 F385 L390A293-L298 HydrophobicContact CB-CD2 4.07Å; A293-L298 HydrophobicContact CB-CG 4.35Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.05Å; E295-L298 PolarHBondContact O-N 3.37Å; L298-M300 PolarHBondContact O-N 3.2Å; L298-M300 VanDerWaalsContact O-N 3.12Å; L298-C301 PolarHBondContact O-N 3.37Å; L298-H302 PolarHBondContact O-N 3.47Å; L298-I307 HydrophobicContact CB-CD1 3.69Å; L298-I307 HydrophobicContact CB-CG1 3.96Å; L298-I307 HydrophobicContact CD1-CG2 4.24Å; L298-F338 HydrophobicContact CD1-CE2 4.1Å; L298-F338 HydrophobicContact CD1-CZ 4.38Å; L298-Q342 HydrophobicContact CD1-CG 4.24Å; L298-F385 HydrophobicContact CD1-CD2 4.18Å; L298-F385 HydrophobicContact CD1-CE1 4.47Å; L298-F385 HydrophobicContact CD1-CE2 3.66Å; L298-F385 HydrophobicContact CD1-CZ 3.83Å; L298-F385 HydrophobicContact CD2-CB 4.31Å; L298-F385 HydrophobicContact CD2-CD1 4.42Å; L298-F385 HydrophobicContact CD2-CD2 3.69Å; L298-F385 HydrophobicContact CD2-CE2 4.06Å; L298-F385 HydrophobicContact CD2-CG 3.9Å; L298-F385 HydrophobicContact CG-CE2 4.48Å; L298-L390 HydrophobicContact CD2-CD1 3.79Å; L298-L390 WeakPolarHBondContact O-CD2 3.42Å
299A98.7Very high98.6Very high42 Ų4252.7 Ų52.735%0.34727%0.272SS..THydrogen-bonded Turntrans-68-3.5178.200000114.7E295 E297 C301 H302 L304 I307E295-A299 VanDerWaalsContact O-CB 3.25Å; E295-A299 WeakPolarHBondContact O-CB 3.24Å; E295-A299 PolarHBondContact O-N 3.25Å; E297-A299 PolarHBondContact O-N 3.4Å; A299-C301 VanDerWaalsContact C-N 3.31Å; A299-H302 WeakPolarHBondContact CA-O 3.5Å; A299-L304 HydrophobicContact CB-CD2 4.04Å; A299-I307 HydrophobicContact CB-CD1 3.99Å
300M98.4Very high98.6Very high42 Ų4248.4 Ų48.421%0.20724%0.244CC..THydrogen-bonded Turntrans-72-25173.3-62.6-172.7-5800113.1E297 L298 L390 R393 Y394 K397E297-M300 HydrophobicContact CB-CE 4.2Å; E297-M300 VanDerWaalsContact O-CB 3.3Å; E297-M300 WeakPolarHBondContact O-CB 3.45Å; E297-M300 VanDerWaalsContact O-CE 3.3Å; E297-M300 WeakPolarHBondContact O-CE 3.2Å; E297-M300 VanDerWaalsContact O-CG 3.27Å; E297-M300 WeakPolarHBondContact O-CG 3.24Å; E297-M300 PolarHBondContact O-N 3.3Å; E297-M300 VanDerWaalsContact O-N 3.08Å; L298-M300 PolarHBondContact O-N 3.2Å; L298-M300 VanDerWaalsContact O-N 3.12Å; M300-L390 HydrophobicContact CB-CD2 4.4Å; M300-R393 HydrophobicContact CB-CB 3.92Å; M300-R393 HydrophobicContact CE-CB 4.34Å; M300-R393 HydrophobicContact SD-CB 4.37Å; M300-Y394 HydrophobicContact CE-CD2 4.09Å; M300-Y394 HydrophobicContact CE-CG 4.43Å; M300-K397 HydrophobicContact SD-CD 3.58Å; M300-K397 VanDerWaalsContact SD-CD 3.58Å
301C98.6Very high98.6Very high15 Ų1551.3 Ų51.310%0.10125%0.252CS..THydrogen-bonded Turntrans-125.2-30.6178.3-70.30000113.2L298 A299 R376 A389 L390 M422L298-C301 PolarHBondContact O-N 3.37Å; A299-C301 VanDerWaalsContact C-N 3.31Å; C301-R376 WeakPolarHBondContact O-CG 3.28Å; C301-A389 VanDerWaalsContact SG-C 3.57Å; C301-L390 HydrophobicContact CB-CD2 3.67Å; C301-L390 HydrophobicContact CB-CG 4.03Å; C301-M422 HydrophobicContact CB-CE 4.16Å; C301-M422 HydrophobicContact CB-SD 3.71Å
302H98.8Very high98.6Very high6 Ų650.7 Ų50.73%0.02826%0.26CS..SBendtrans-106.6153.8-173.7-62.3-77.3000112.6L298 A299 H306 I307 A374 E375 R376 F385 N386 M422L298-H302 PolarHBondContact O-N 3.47Å; A299-H302 WeakPolarHBondContact CA-O 3.5Å; H302-H306 AromaticContact CE1-CD2 3.15Å; H302-H306 PolarHBondContact CE1-CD2 3.32Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact CG-CD2 3.93Å; H302-H306 AromaticContact ND1-CD2 3.54Å; H302-I307 HydrophobicContact CB-CD1 4.22Å; H302-I307 HydrophobicContact CB-CG1 4.08Å; H302-A374 VanDerWaalsContact NE2-C 3.34Å; H302-A374 VanDerWaalsContact NE2-CB 3.26Å; H302-A374 WeakPolarHBondContact NE2-CB 3.4Å; H302-A374 PolarHBondContact NE2-O 2.57Å; H302-E375 PolarHBondContact CE1-O 2.79Å; H302-E375 PolarHBondContact ND1-O 2.87Å; H302-E375 PolarHBondContact NE2-O 2.92Å; H302-R376 CarbonylContact C-O 3.53Å; H302-R376 WeakPolarHBondContact CA-O 3.22Å; H302-R376 WeakPolarHBondContact CE1-CA 3.49Å; H302-R376 PolarHBondContact CE1-O 2.86Å; H302-F385 HydrophobicContact CB-CD1 4.39Å; H302-F385 AromaticContact CD2-CD1 3.64Å; H302-F385 AromaticContact CG-CD1 3.76Å; H302-N386 PolarHBondContact NE2-N 3.39Å; H302-N386 VanDerWaalsContact NE2-N 3.18Å; H302-M422 WeakPolarHBondContact NE2-CE 3.33Å
303S98.8Very high98.6Very high11 Ų1147.2 Ų47.28%0.07724%0.241CC..  trans-74.3151.1173.577.90000112Q305 H306 I307 R376 D377S303-Q305 PolarHBondContact O-N 3.32Å; S303-H306 PolarHBondContact O-N 3.46Å; S303-H306 VanDerWaalsContact O-N 3.11Å; S303-H306 PolarHBondContact OG-N 3.03Å; S303-I307 WeakPolarHBondContact O-CG1 3.29Å; S303-I307 PolarHBondContact O-N 3.32Å; S303-R376 PolarHBondContact N-O 2.79Å; S303-D377 WeakPolarHBondContact CB-OD1 3.27Å; S303-D377 PolarHBondContact OG-OD1 3.05Å
304L98.6Very high98.6Very high114 Ų11448.9 Ų48.960%0.59726%0.255SS*.Hα-helixtrans-56.1-34.5173.7-60.7178.3000111.7A299 I307 E308A299-L304 HydrophobicContact CB-CD2 4.04Å; L304-I307 PolarHBondContact O-N 3.17Å; L304-E308 WeakPolarHBondContact O-CB 3.21Å; L304-E308 VanDerWaalsContact O-CG 3.26Å; L304-E308 WeakPolarHBondContact O-CG 3.39Å; L304-E308 PolarHBondContact O-N 2.96Å
305Q98.6Very high98.5Very high128 Ų12854.4 Ų54.460%0.59828%0.277SS*.Hα-helixtrans-66.6-39.9177.7-173.2176.334.500112.5S303 R309S303-Q305 PolarHBondContact O-N 3.32Å; Q305-R309 WeakPolarHBondContact O-CB 3.42Å; Q305-R309 PolarHBondContact O-N 2.95Å
306H98.6Very high98.5Very high2 Ų253.7 Ų53.71%0.00927%0.274CS..Hα-helixtrans-67.1-44.9173.9179.848.8000111H302 S303 E308 R309 M310 P379 L384 F385H302-H306 AromaticContact CE1-CD2 3.15Å; H302-H306 PolarHBondContact CE1-CD2 3.32Å; H302-H306 AromaticContact CE1-NE2 3.73Å; H302-H306 AromaticContact CG-CD2 3.93Å; H302-H306 AromaticContact ND1-CD2 3.54Å; S303-H306 PolarHBondContact O-N 3.46Å; S303-H306 VanDerWaalsContact O-N 3.11Å; S303-H306 PolarHBondContact OG-N 3.03Å; H306-E308 PolarHBondContact O-N 3.13Å; H306-R309 PolarHBondContact O-N 2.91Å; H306-M310 WeakPolarHBondContact CE1-CG 3.43Å; H306-M310 WeakPolarHBondContact O-CG 3.24Å; H306-M310 PolarHBondContact O-N 2.79Å; H306-P379 VanDerWaalsContact CE1-CD 3.5Å; H306-P379 WeakPolarHBondContact CE1-CD 3.42Å; H306-L384 PolarHBondContact NE2-O 3.24Å; H306-F385 AromaticContact CD2-CD1 3.95Å; H306-F385 AromaticContact CD2-CE1 3.72Å; H306-F385 AromaticContact NE2-CD1 3.8Å; H306-F385 AromaticContact NE2-CE1 3.73Å
307I98.8Very high98.5Very high3 Ų354.6 Ų54.62%0.01528%0.276CS..Hα-helixtrans-58.9-47.7177-64.2162.1000111.2E295 L298 A299 H302 S303 L304 R309 M310 K311 F385E295-I307 HydrophobicContact CB-CG2 4.35Å; E295-I307 HydrophobicContact CG-CG2 3.95Å; L298-I307 HydrophobicContact CB-CD1 3.69Å; L298-I307 HydrophobicContact CB-CG1 3.96Å; L298-I307 HydrophobicContact CD1-CG2 4.24Å; A299-I307 HydrophobicContact CB-CD1 3.99Å; H302-I307 HydrophobicContact CB-CD1 4.22Å; H302-I307 HydrophobicContact CB-CG1 4.08Å; S303-I307 WeakPolarHBondContact O-CG1 3.29Å; S303-I307 PolarHBondContact O-N 3.32Å; L304-I307 PolarHBondContact O-N 3.17Å; I307-R309 PolarHBondContact O-N 3.3Å; I307-M310 PolarHBondContact O-N 2.81Å; I307-K311 WeakPolarHBondContact O-CB 3.5Å; I307-K311 PolarHBondContact O-N 2.87Å; I307-F385 HydrophobicContact CG1-CE1 4.05Å; I307-F385 HydrophobicContact CG1-CZ 4.41Å
308E98.6Very high98.4Very high128 Ų12856.7 Ų56.760%0.59829%0.291SS*.Hα-helixtrans-60-43.3175.3-76.5174.6178.700112.2L304 H306 K311 A312L304-E308 WeakPolarHBondContact O-CB 3.21Å; L304-E308 VanDerWaalsContact O-CG 3.26Å; L304-E308 WeakPolarHBondContact O-CG 3.39Å; L304-E308 PolarHBondContact O-N 2.96Å; H306-E308 PolarHBondContact O-N 3.13Å; E308-K311 PolarHBondContact O-N 3.11Å; E308-A312 WeakPolarHBondContact O-CB 3.28Å; E308-A312 PolarHBondContact O-N 2.94Å
309R98.3Very high98.4Very high87 Ų8766.6 Ų66.633%0.32833%0.329SS..Hα-helixtrans-62.9-45.5177.2-175.5-174.3-70.5159.4-2.9111.5Q305 H306 I307 A312Q305-R309 WeakPolarHBondContact O-CB 3.42Å; Q305-R309 PolarHBondContact O-N 2.95Å; H306-R309 PolarHBondContact O-N 2.91Å; I307-R309 PolarHBondContact O-N 3.3Å; R309-A312 PolarHBondContact O-N 3.09Å
310M98.5Very high98.3Very high0 Ų067.7 Ų67.70%033%0.329CS..Hα-helixtrans-66-44.5177.2-65.5-57.597.200110.8H306 I307 A312 T313 F333 F338 P379 L384 F385H306-M310 WeakPolarHBondContact CE1-CG 3.43Å; H306-M310 WeakPolarHBondContact O-CG 3.24Å; H306-M310 PolarHBondContact O-N 2.79Å; I307-M310 PolarHBondContact O-N 2.81Å; M310-A312 VanDerWaalsContact C-N 3.3Å; M310-A312 PolarHBondContact O-N 3.3Å; M310-T313 VanDerWaalsContact O-CB 3.32Å; M310-T313 WeakPolarHBondContact O-CB 3.2Å; M310-T313 WeakPolarHBondContact O-CG2 3.25Å; M310-T313 PolarHBondContact O-N 3.34Å; M310-T313 PolarHBondContact O-OG1 3.45Å; M310-F333 HydrophobicContact CE-CE1 4.07Å; M310-F333 HydrophobicContact CE-CZ 3.88Å; M310-F333 HydrophobicContact SD-CE1 3.66Å; M310-F333 HydrophobicContact SD-CZ 4.04Å; M310-F338 HydrophobicContact CB-CD2 3.82Å; M310-F338 HydrophobicContact CB-CE2 4.38Å; M310-P379 HydrophobicContact CE-CG 4.03Å; M310-P379 HydrophobicContact SD-CB 4.39Å; M310-P379 HydrophobicContact SD-CG 4.24Å; M310-L384 HydrophobicContact SD-CD2 4.15Å; M310-L384 HydrophobicContact SD-CG 4.03Å; M310-F385 HydrophobicContact CB-CE1 4.32Å; M310-F385 HydrophobicContact CB-CE2 4.39Å; M310-F385 HydrophobicContact CB-CZ 3.69Å; M310-F385 HydrophobicContact CG-CE1 4Å; M310-F385 HydrophobicContact CG-CZ 3.84Å
311K98.6Very high98.3Very high87 Ų8765.7 Ų65.738%0.37832%0.319SS..Hα-helixtrans-57.9-40.3176.1-176.5175.1178177.80112.5E295 I307 E308 T313 A314 F338E295-K311 WeakPolarHBondContact OE1-CE 3.46Å; E295-K311 IonicContact OE1-NZ 2.71Å; E295-K311 PolarHBondContact OE1-NZ 3.08Å; E295-K311 IonicContact OE2-NZ 2.8Å; E295-K311 PolarHBondContact OE2-NZ 3.3Å; I307-K311 WeakPolarHBondContact O-CB 3.5Å; I307-K311 PolarHBondContact O-N 2.87Å; E308-K311 PolarHBondContact O-N 3.11Å; K311-T313 PolarHBondContact O-N 2.95Å; K311-A314 PolarHBondContact O-N 2.88Å; K311-F338 HydrophobicContact CB-CD1 4.22Å; K311-F338 HydrophobicContact CB-CD2 4.27Å; K311-F338 HydrophobicContact CB-CE1 3.86Å; K311-F338 HydrophobicContact CB-CE2 3.92Å; K311-F338 HydrophobicContact CB-CG 4.41Å; K311-F338 HydrophobicContact CB-CZ 3.71Å; K311-F338 HydrophobicContact CD-CE1 4.37Å; K311-F338 HydrophobicContact CD-CZ 4.33Å; K311-F338 HydrophobicContact CG-CD1 4.27Å; K311-F338 HydrophobicContact CG-CE1 3.76Å; K311-F338 HydrophobicContact CG-CZ 3.98Å
312A98.4Very high98.2Very high46 Ų4668.5 Ų68.538%0.3833%0.33SS..Hα-helixtrans-62.4-22.9177.500000113.8E308 R309 M310 A314 E315 M316E308-A312 WeakPolarHBondContact O-CB 3.28Å; E308-A312 PolarHBondContact O-N 2.94Å; R309-A312 PolarHBondContact O-N 3.09Å; M310-A312 VanDerWaalsContact C-N 3.3Å; M310-A312 PolarHBondContact O-N 3.3Å; A312-A314 PolarHBondContact O-N 3.21Å; A312-E315 PolarHBondContact O-N 3.45Å; A312-M316 HydrophobicContact CB-CE 4.02Å; A312-M316 WeakPolarHBondContact O-CG 3.11Å
313T98.3Very high98.2Very high0 Ų074 Ų740%035%0.354CS..G310 helixtrans-59.5-27.7177.466.80000113M310 K311 E315 M316 L321 L324 F333M310-T313 VanDerWaalsContact O-CB 3.32Å; M310-T313 WeakPolarHBondContact O-CB 3.2Å; M310-T313 WeakPolarHBondContact O-CG2 3.25Å; M310-T313 PolarHBondContact O-N 3.34Å; M310-T313 PolarHBondContact O-OG1 3.45Å; K311-T313 PolarHBondContact O-N 2.95Å; T313-E315 PolarHBondContact O-N 2.8Å; T313-M316 PolarHBondContact O-N 2.67Å; T313-L321 HydrophobicContact CG2-CD2 4.08Å; T313-L321 WeakPolarHBondContact O-CD2 3.34Å; T313-L324 HydrophobicContact CG2-CD2 3.84Å; T313-F333 HydrophobicContact CG2-CD1 4.15Å; T313-F333 HydrophobicContact CG2-CE1 4.43Å; T313-F333 HydrophobicContact CG2-CG 4.37Å
314A98.1Very high98.1Very high36 Ų3674.1 Ų74.130%0.29835%0.354SS..G310 helixtrans-58.9-32.3179.200000113.3K311 A312 N335K311-A314 PolarHBondContact O-N 2.88Å; A312-A314 PolarHBondContact O-N 3.21Å; A314-N335 WeakPolarHBondContact CA-O 3.26Å; A314-N335 PolarHBondContact O-ND2 2.8Å
315E98.2Very high98Very high174 Ų17468.8 Ų68.881%0.81333%0.326SS*.G310 helixtrans-102.4-2.4-177.1-60.2-60.4147.600113.4A312 T313A312-E315 PolarHBondContact O-N 3.45Å; T313-E315 PolarHBondContact O-N 2.8Å
316M98.3Very high97.9Very high55 Ų5568 Ų6827%0.27133%0.326SS..SBendtrans-75.3147.9-178.6-73.4-176.4-170.300112.1A312 T313 L321 L324 N335A312-M316 HydrophobicContact CB-CE 4.02Å; A312-M316 WeakPolarHBondContact O-CG 3.11Å; T313-M316 PolarHBondContact O-N 2.67Å; M316-L321 HydrophobicContact CB-CD2 3.61Å; M316-L321 HydrophobicContact CB-CG 3.72Å; M316-L321 HydrophobicContact CG-CD2 4.35Å; M316-L321 HydrophobicContact SD-CD2 4.03Å; M316-L324 HydrophobicContact CE-CD2 4.05Å; M316-L324 HydrophobicContact SD-CD2 3.88Å; M316-N335 PolarHBondContact O-ND2 3.39Å
317K97.9Very high97.9Very high151 Ų15174.3 Ų74.366%0.65736%0.356SS*.  trans-73.6150.2171.9-65.4172.7-176.61710109.4R319 D320 L321K317-R319 VanDerWaalsContact C-N 3.28Å; K317-R319 PolarHBondContact O-N 2.95Å; K317-R319 VanDerWaalsContact O-N 3.1Å; K317-D320 PolarHBondContact O-N 2.86Å; K317-L321 PolarHBondContact O-N 3.06Å
318P97.2Very high97.8Very high64 Ų6475.9 Ų75.942%0.41636%0.363SS..Hα-helixtrans-50.5-42.3-178.9-31.235.8000114.3L257 W258 D320 L321 H322L257-P318 HydrophobicContact CD1-CB 4.15Å; L257-P318 HydrophobicContact CD1-CG 4.36Å; W258-P318 HydrophobicContact CH2-CB 4.23Å; W258-P318 WeakPolarHBondContact CH2-O 3.47Å; W258-P318 VanDerWaalsContact CZ2-C 3.5Å; W258-P318 HydrophobicContact CZ2-CB 3.75Å; W258-P318 WeakPolarHBondContact CZ2-O 3.43Å; P318-D320 PolarHBondContact O-N 3.33Å; P318-L321 WeakPolarHBondContact O-CB 3.26Å; P318-L321 PolarHBondContact O-N 2.97Å; P318-H322 PolarHBondContact O-N 3.23Å
319R97.1Very high97.7Very high208 Ų20873.8 Ų73.879%0.78536%0.358SS*.Hα-helixtrans-62.9-27.4178.2-71.9-174.2178.7178.2-0.9114.2K317 K323K317-R319 VanDerWaalsContact C-N 3.28Å; K317-R319 PolarHBondContact O-N 2.95Å; K317-R319 VanDerWaalsContact O-N 3.1Å; R319-K323 WeakPolarHBondContact O-CG 3.49Å; R319-K323 PolarHBondContact O-N 3.37Å
320D98Very high97.6Very high65 Ų6572.6 Ų72.635%0.34836%0.363SS..Hα-helixtrans-87.7-34.1-180-56.2-45000110.2K317 P318 H322 K323 L324K317-D320 PolarHBondContact O-N 2.86Å; P318-D320 PolarHBondContact O-N 3.33Å; D320-H322 VanDerWaalsContact C-N 3.35Å; D320-H322 PolarHBondContact O-N 2.8Å; D320-K323 PolarHBondContact O-N 2.94Å; D320-K323 IonicContact OD1-NZ 3.1Å; D320-K323 PolarHBondContact OD1-NZ 3.29Å; D320-L324 WeakPolarHBondContact O-CB 3.25Å; D320-L324 PolarHBondContact O-N 3.44Å
321L98.1Very high97.6Very high0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-57.5-43165.7-69.2176.6000112.9W258 T313 M316 K317 P318 L324 G325 F333W258-L321 HydrophobicContact CH2-CB 4.12Å; T313-L321 HydrophobicContact CG2-CD2 4.08Å; T313-L321 WeakPolarHBondContact O-CD2 3.34Å; M316-L321 HydrophobicContact CB-CD2 3.61Å; M316-L321 HydrophobicContact CB-CG 3.72Å; M316-L321 HydrophobicContact CG-CD2 4.35Å; M316-L321 HydrophobicContact SD-CD2 4.03Å; K317-L321 PolarHBondContact O-N 3.06Å; P318-L321 WeakPolarHBondContact O-CB 3.26Å; P318-L321 PolarHBondContact O-N 2.97Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-G325 PolarHBondContact O-N 2.89Å; L321-F333 HydrophobicContact CB-CB 4.18Å; L321-F333 HydrophobicContact CD2-CB 3.83Å; L321-F333 HydrophobicContact CG-CB 4.5Å
322H97.4Very high97.6Very high73 Ų7369.6 Ų69.634%0.33835%0.351SS..Hα-helixtrans-64.7-42.9177.2-173.657.9000112.4W258 P318 D320 G325 N326W258-H322 HydrophobicContact CD2-CB 3.95Å; W258-H322 AromaticContact CD2-CG 3.83Å; W258-H322 AromaticContact CD2-ND1 3.51Å; W258-H322 AromaticContact CE2-CG 3.96Å; W258-H322 HydrophobicContact CE3-CB 4.06Å; W258-H322 AromaticContact CE3-ND1 3.57Å; W258-H322 AromaticContact CG-ND1 3.82Å; W258-H322 HydrophobicContact CH2-CB 3.77Å; W258-H322 HydrophobicContact CZ2-CB 3.66Å; W258-H322 HydrophobicContact CZ3-CB 3.95Å; P318-H322 PolarHBondContact O-N 3.23Å; D320-H322 VanDerWaalsContact C-N 3.35Å; D320-H322 PolarHBondContact O-N 2.8Å; H322-G325 PolarHBondContact O-N 3.17Å; H322-N326 PolarHBondContact NE2-ND2 2.93Å; H322-N326 PolarHBondContact O-N 3.4Å; H322-N326 VanDerWaalsContact O-N 3.12Å; H322-N326 PolarHBondContact O-ND2 3.15Å
323K97.6Very high97.6Very high122 Ų12267.4 Ų67.453%0.5333%0.333SS..Hα-helixtrans-60.7-47.6175.1-70.2168.3-166.3160.20111.1R319 D320 G325 N326 E327R319-K323 WeakPolarHBondContact O-CG 3.49Å; R319-K323 PolarHBondContact O-N 3.37Å; D320-K323 PolarHBondContact O-N 2.94Å; D320-K323 IonicContact OD1-NZ 3.1Å; D320-K323 PolarHBondContact OD1-NZ 3.29Å; K323-G325 VanDerWaalsContact C-N 3.31Å; K323-G325 PolarHBondContact O-N 3.26Å; K323-N326 WeakPolarHBondContact O-CB 3.44Å; K323-N326 PolarHBondContact O-N 3.05Å; K323-N326 VanDerWaalsContact O-N 3.12Å; K323-E327 PolarHBondContact O-N 2.93Å
324L97.5Very high97.5Very high14 Ų1467.5 Ų67.57%0.07333%0.333CS..Hα-helixtrans-62.4-38.3179.1-175.467.3000111.7T313 M316 D320 L321 N326 E327 F328 F333T313-L324 HydrophobicContact CG2-CD2 3.84Å; M316-L324 HydrophobicContact CE-CD2 4.05Å; M316-L324 HydrophobicContact SD-CD2 3.88Å; D320-L324 WeakPolarHBondContact O-CB 3.25Å; D320-L324 PolarHBondContact O-N 3.44Å; L321-L324 PolarHBondContact O-N 3.42Å; L324-N326 VanDerWaalsContact C-N 3.31Å; L324-N326 PolarHBondContact O-N 2.88Å; L324-E327 WeakPolarHBondContact O-CB 3.43Å; L324-E327 PolarHBondContact O-N 3.13Å; L324-E327 VanDerWaalsContact O-N 3.14Å; L324-F328 HydrophobicContact CD1-CE2 3.87Å; L324-F328 HydrophobicContact CG-CE2 4.11Å; L324-F328 WeakPolarHBondContact O-CD2 3.43Å; L324-F328 WeakPolarHBondContact O-CE2 3.48Å; L324-F333 HydrophobicContact CB-CD2 4.36Å; L324-F333 HydrophobicContact CB-CE2 4.34Å; L324-F333 HydrophobicContact CD2-CD2 4.25Å; L324-F333 HydrophobicContact CD2-CE2 4.02Å; L324-F333 HydrophobicContact CG-CD2 4.23Å; L324-F333 HydrophobicContact CG-CE2 3.81Å
325G96.6Very high97.5Very high2 Ų267.8 Ų67.82%0.02133%0.33CS..Hα-helixtrans-58.5-43.7172.900000112.1L321 H322 K323 E327 F328L321-G325 PolarHBondContact O-N 2.89Å; H322-G325 PolarHBondContact O-N 3.17Å; K323-G325 VanDerWaalsContact C-N 3.31Å; K323-G325 PolarHBondContact O-N 3.26Å; G325-E327 PolarHBondContact O-N 3.27Å; G325-F328 PolarHBondContact O-N 3.18Å; G325-F328 VanDerWaalsContact O-N 3.1Å; G325-F328 VanDerWaalsContact O-O 3.12Å
326N96.6Very high97.6Very high111 Ų11162.9 Ų62.959%0.59431%0.307SS*.THydrogen-bonded Turntrans-70.6-5.5177.4-59.7-23.5000114.2H322 K323 L324 F328H322-N326 PolarHBondContact NE2-ND2 2.93Å; H322-N326 PolarHBondContact O-N 3.4Å; H322-N326 VanDerWaalsContact O-N 3.12Å; H322-N326 PolarHBondContact O-ND2 3.15Å; K323-N326 WeakPolarHBondContact O-CB 3.44Å; K323-N326 PolarHBondContact O-N 3.05Å; K323-N326 VanDerWaalsContact O-N 3.12Å; L324-N326 VanDerWaalsContact C-N 3.31Å; L324-N326 PolarHBondContact O-N 2.88Å; N326-F328 VanDerWaalsContact C-N 3.33Å
327E97.5Very high97.6Very high134 Ų13460.3 Ų60.363%0.62629%0.294SS*.THydrogen-bonded Turntrans-81.6-12.8169.9-66174.2-152.700112.4K323 L324 G325K323-E327 PolarHBondContact O-N 2.93Å; L324-E327 WeakPolarHBondContact O-CB 3.43Å; L324-E327 PolarHBondContact O-N 3.13Å; L324-E327 VanDerWaalsContact O-N 3.14Å; G325-E327 PolarHBondContact O-N 3.27Å
328F97.4Very high97.6Very high37 Ų3753.7 Ų53.716%0.16227%0.266CS..SBendtrans-124.2157.7-176.8-55.6-72000112.4L324 G325 N326 S330 I331 F333 A378 P379L324-F328 HydrophobicContact CD1-CE2 3.87Å; L324-F328 HydrophobicContact CG-CE2 4.11Å; L324-F328 WeakPolarHBondContact O-CD2 3.43Å; L324-F328 WeakPolarHBondContact O-CE2 3.48Å; G325-F328 PolarHBondContact O-N 3.18Å; G325-F328 VanDerWaalsContact O-N 3.1Å; G325-F328 VanDerWaalsContact O-O 3.12Å; N326-F328 VanDerWaalsContact C-N 3.33Å; F328-S330 PolarHBondContact O-N 2.16Å; F328-I331 HydrophobicContact CB-CB 4.02Å; F328-I331 HydrophobicContact CB-CG1 4.02Å; F328-F333 HydrophobicContact CD2-CE2 4.13Å; F328-F333 HydrophobicContact CD2-CZ 4.25Å; F328-F333 HydrophobicContact CE2-CE2 4.38Å; F328-F333 HydrophobicContact CE2-CZ 4.42Å; F328-A378 HydrophobicContact CD1-CB 4.43Å; F328-A378 HydrophobicContact CE1-CB 4.34Å; F328-P379 HydrophobicContact CB-CG 4.33Å; F328-P379 HydrophobicContact CD1-CG 3.96Å; F328-P379 HydrophobicContact CD2-CG 3.74Å; F328-P379 HydrophobicContact CE1-CG 4.22Å; F328-P379 HydrophobicContact CE2-CG 4Å; F328-P379 HydrophobicContact CG-CG 3.73Å; F328-P379 HydrophobicContact CZ-CG 4.25Å
329T96.6Very high97.7Very high83 Ų8354.9 Ų54.951%0.50927%0.266SS..THydrogen-bonded Turntrans-76.2117.6-178.9-480000110.9I331 G381 F443T329-I331 PolarHBondContact O-N 2.95Å; T329-G381 PolarHBondContact O-N 3.26Å; T329-F443 HydrophobicContact CG2-CE2 3.81Å
330S96.6Very high97.8Very high62 Ų6245.1 Ų45.143%0.43423%0.229SC..THydrogen-bonded Turntrans54.650175-57.10000113.7F328 F382F328-S330 PolarHBondContact O-N 2.16Å; S330-F382 WeakPolarHBondContact O-CD1 3.45Å; S330-F382 PolarHBondContact O-N 2.88Å
331I98.2Very high97.8Very high15 Ų1542.1 Ų42.18%0.07721%0.213CC..  trans-124.9141.6178.8-72.2-70000111.2F328 T329 F333 P379 L384F328-I331 HydrophobicContact CB-CB 4.02Å; F328-I331 HydrophobicContact CB-CG1 4.02Å; T329-I331 PolarHBondContact O-N 2.95Å; I331-F333 HydrophobicContact CG2-CD1 4.38Å; I331-F333 HydrophobicContact CG2-CD2 4.02Å; I331-F333 HydrophobicContact CG2-CE1 3.84Å; I331-F333 HydrophobicContact CG2-CE2 3.43Å; I331-F333 VanDerWaalsContact CG2-CE2 3.43Å; I331-F333 HydrophobicContact CG2-CG 4.46Å; I331-F333 HydrophobicContact CG2-CZ 3.33Å; I331-P379 HydrophobicContact CD1-CB 3.9Å; I331-P379 HydrophobicContact CG1-CB 4.11Å; I331-P379 HydrophobicContact CG1-CG 4.41Å; I331-L384 HydrophobicContact CD1-CD1 4.26Å
332F98.2Very high97.8Very high10 Ų1043.1 Ų43.14%0.04422%0.218CC..  trans-130.5152.8168.465.8-82.5000109.8H254 V255 N256 H262 E264 F382H254-F332 AromaticContact CE1-CD2 3.52Å; H254-F332 AromaticContact CE1-CE2 3.06Å; H254-F332 WeakPolarHBondContact CE1-CE2 3.26Å; H254-F332 AromaticContact CE1-CZ 3.56Å; H254-F332 AromaticContact ND1-CE2 3.61Å; H254-F332 AromaticContact NE2-CE2 3.56Å; H254-F332 AromaticContact NE2-CZ 3.55Å; V255-F332 VanDerWaalsContact C-CE2 3.46Å; N256-F332 VanDerWaalsContact CA-CD2 3.45Å; N256-F332 HydrophobicContact CB-CB 4.37Å; N256-F332 HydrophobicContact CB-CD1 4.49Å; N256-F332 HydrophobicContact CB-CD2 3.52Å; N256-F332 HydrophobicContact CB-CE2 3.85Å; N256-F332 HydrophobicContact CB-CG 3.87Å; N256-F332 HydrophobicContact CB-CZ 4.49Å; N256-F332 VanDerWaalsContact N-CE2 3.33Å; H262-F332 AromaticContact CE1-CD1 3.47Å; H262-F332 VanDerWaalsContact CE1-CD1 3.47Å; H262-F332 WeakPolarHBondContact CE1-CD1 3.36Å; H262-F332 AromaticContact CE1-CE1 3.19Å; H262-F332 WeakPolarHBondContact CE1-CE1 3.16Å; H262-F332 AromaticContact ND1-CD1 3.87Å; H262-F332 AromaticContact ND1-CE1 3.42Å; H262-F332 WeakPolarHBondContact ND1-CE1 3.19Å; H262-F332 AromaticContact NE2-CD1 3.71Å; H262-F332 AromaticContact NE2-CE1 3.92Å; E264-F332 HydrophobicContact CB-CE1 4.16Å; E264-F332 HydrophobicContact CB-CZ 4.36Å; F332-F382 HydrophobicContact CD1-CD1 4.45Å; F332-F382 HydrophobicContact CE1-CD1 4.23Å
333F98.1Very high97.9Very high0 Ų040.2 Ų40.20%021%0.205CC..  trans-129.2153.4179.4-60.7-73.3000112.6M310 T313 L321 L324 F328 I331 P379 L384M310-F333 HydrophobicContact CE-CE1 4.07Å; M310-F333 HydrophobicContact CE-CZ 3.88Å; M310-F333 HydrophobicContact SD-CE1 3.66Å; M310-F333 HydrophobicContact SD-CZ 4.04Å; T313-F333 HydrophobicContact CG2-CD1 4.15Å; T313-F333 HydrophobicContact CG2-CE1 4.43Å; T313-F333 HydrophobicContact CG2-CG 4.37Å; L321-F333 HydrophobicContact CB-CB 4.18Å; L321-F333 HydrophobicContact CD2-CB 3.83Å; L321-F333 HydrophobicContact CG-CB 4.5Å; L324-F333 HydrophobicContact CB-CD2 4.36Å; L324-F333 HydrophobicContact CB-CE2 4.34Å; L324-F333 HydrophobicContact CD2-CD2 4.25Å; L324-F333 HydrophobicContact CD2-CE2 4.02Å; L324-F333 HydrophobicContact CG-CD2 4.23Å; L324-F333 HydrophobicContact CG-CE2 3.81Å; F328-F333 HydrophobicContact CD2-CE2 4.13Å; F328-F333 HydrophobicContact CD2-CZ 4.25Å; F328-F333 HydrophobicContact CE2-CE2 4.38Å; F328-F333 HydrophobicContact CE2-CZ 4.42Å; I331-F333 HydrophobicContact CG2-CD1 4.38Å; I331-F333 HydrophobicContact CG2-CD2 4.02Å; I331-F333 HydrophobicContact CG2-CE1 3.84Å; I331-F333 HydrophobicContact CG2-CE2 3.43Å; I331-F333 VanDerWaalsContact CG2-CE2 3.43Å; I331-F333 HydrophobicContact CG2-CG 4.46Å; I331-F333 HydrophobicContact CG2-CZ 3.33Å; F333-P379 HydrophobicContact CZ-CG 4.03Å; F333-L384 HydrophobicContact CD1-CD2 4.1Å; F333-L384 HydrophobicContact CE1-CD1 4.26Å; F333-L384 HydrophobicContact CE1-CD2 3.9Å; F333-L384 HydrophobicContact CE1-CG 4.01Å
334S97.1Very high98Very high1 Ų134.4 Ų34.41%0.00718%0.179CC..  trans-137.8160.7171.453.50000108H254 V255 Q336 S337H254-S334 WeakPolarHBondContact CA-OG 3.39Å; H254-S334 PolarHBondContact ND1-OG 2.83Å; V255-S334 PolarHBondContact N-OG 3.02Å; V255-S334 WeakPolarHBondContact O-CB 3.49Å; S334-Q336 PolarHBondContact O-N 3Å; S334-S337 PolarHBondContact N-OG 2.98Å; S334-S337 VanDerWaalsContact O-CB 3.26Å; S334-S337 WeakPolarHBondContact O-CB 3.36Å; S334-S337 PolarHBondContact O-N 3.11Å; S334-S337 PolarHBondContact O-OG 2.85Å; S334-S337 PolarHBondContact OG-N 3.21Å; S334-S337 PolarHBondContact OG-OG 3.07Å
335N98.3Very high98Very high43 Ų4333.7 Ų33.723%0.2318%0.176CC..THydrogen-bonded Turntrans-58.7-19.7177.8-63.584.6000113.2A314 M316A314-N335 WeakPolarHBondContact CA-O 3.26Å; A314-N335 PolarHBondContact O-ND2 2.8Å; M316-N335 PolarHBondContact O-ND2 3.39Å
336Q98.4Very high98.1Very high71 Ų7133.6 Ų33.633%0.33218%0.175SC..THydrogen-bonded Turntrans-95.6-5.6179.6-76.455.654.600113.2E253 S334 F338 Q339 C340E253-Q336 HydrophobicContact CB-CB 3.76Å; E253-Q336 HydrophobicContact CB-CG 3.8Å; E253-Q336 VanDerWaalsContact OE2-CG 3.28Å; E253-Q336 WeakPolarHBondContact OE2-CG 3.31Å; S334-Q336 PolarHBondContact O-N 3Å; Q336-F338 PolarHBondContact O-N 3.38Å; Q336-Q339 PolarHBondContact O-N 2.7Å; Q336-C340 PolarHBondContact O-N 3.2Å; Q336-C340 PolarHBondContact O-SG 2.82Å
337S98.5Very high98.3Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-57-47.2-175.2-71.30000113.5H254 S334 C340 S341H254-S337 PolarHBondContact CE1-OG 3.2Å; H254-S337 PolarHBondContact ND1-OG 2.86Å; S334-S337 PolarHBondContact N-OG 2.98Å; S334-S337 VanDerWaalsContact O-CB 3.26Å; S334-S337 WeakPolarHBondContact O-CB 3.36Å; S334-S337 PolarHBondContact O-N 3.11Å; S334-S337 PolarHBondContact O-OG 2.85Å; S334-S337 PolarHBondContact OG-N 3.21Å; S334-S337 PolarHBondContact OG-OG 3.07Å; S337-C340 PolarHBondContact O-N 3.42Å; S337-S341 PolarHBondContact O-N 3.37Å; S337-S341 PolarHBondContact O-OG 3.21Å
338F98.7Very high98.3Very high13 Ų1322 Ų226%0.05712%0.117CC..Hα-helixtrans-61.3-47.5178.8177.4-112.2000111.8L298 M310 K311 Q336 C340 S341 Q342 F385L298-F338 HydrophobicContact CD1-CE2 4.1Å; L298-F338 HydrophobicContact CD1-CZ 4.38Å; M310-F338 HydrophobicContact CB-CD2 3.82Å; M310-F338 HydrophobicContact CB-CE2 4.38Å; K311-F338 HydrophobicContact CB-CD1 4.22Å; K311-F338 HydrophobicContact CB-CD2 4.27Å; K311-F338 HydrophobicContact CB-CE1 3.86Å; K311-F338 HydrophobicContact CB-CE2 3.92Å; K311-F338 HydrophobicContact CB-CG 4.41Å; K311-F338 HydrophobicContact CB-CZ 3.71Å; K311-F338 HydrophobicContact CD-CE1 4.37Å; K311-F338 HydrophobicContact CD-CZ 4.33Å; K311-F338 HydrophobicContact CG-CD1 4.27Å; K311-F338 HydrophobicContact CG-CE1 3.76Å; K311-F338 HydrophobicContact CG-CZ 3.98Å; Q336-F338 PolarHBondContact O-N 3.38Å; F338-C340 PolarHBondContact O-N 2.86Å; F338-S341 PolarHBondContact O-N 2.83Å; F338-Q342 VanDerWaalsContact CE1-CD 3.47Å; F338-Q342 HydrophobicContact CE1-CG 4.26Å; F338-Q342 HydrophobicContact CE2-CG 4.34Å; F338-Q342 HydrophobicContact CZ-CG 4.12Å; F338-Q342 WeakPolarHBondContact O-CG 3.29Å; F338-Q342 PolarHBondContact O-N 2.95Å; F338-F385 AromaticContact CD2-CE2 3.77Å; F338-F385 HydrophobicContact CD2-CE2 3.77Å; F338-F385 AromaticContact CD2-CZ 4Å; F338-F385 HydrophobicContact CD2-CZ 4Å; F338-F385 AromaticContact CE2-CE2 3.74Å; F338-F385 HydrophobicContact CE2-CE2 3.74Å; F338-F385 AromaticContact CE2-CZ 3.78Å; F338-F385 HydrophobicContact CE2-CZ 3.78Å
339Q98.8Very high98.4Very high89 Ų8920.2 Ų20.242%0.41611%0.109SC..Hα-helixtrans-66-38.3-179.8-169.31770.500112.2L292 Q336 S341 Q342 L343L292-Q339 HydrophobicContact CD2-CG 3.69Å; Q336-Q339 PolarHBondContact O-N 2.7Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-Q342 PolarHBondContact O-N 3.21Å; Q339-L343 WeakPolarHBondContact O-CG 3.47Å; Q339-L343 PolarHBondContact O-N 2.94Å
340C98.9Very high98.5Very high2 Ų218 Ų181%0.0149%0.094CC..Hα-helixtrans-63.2-41.3173.7-64.80000111.5K250 H254 Q336 S337 F338 Q342 L343 A344K250-C340 PolarHBondContact O-SG 3.27Å; K250-C340 VanDerWaalsContact O-SG 3.34Å; H254-C340 HydrophobicContact CB-CB 3.87Å; H254-C340 PolarHBondContact N-SG 2.89Å; H254-C340 VanDerWaalsContact N-SG 3.44Å; Q336-C340 PolarHBondContact O-N 3.2Å; Q336-C340 PolarHBondContact O-SG 2.82Å; S337-C340 PolarHBondContact O-N 3.42Å; F338-C340 PolarHBondContact O-N 2.86Å; C340-Q342 VanDerWaalsContact C-N 3.35Å; C340-Q342 PolarHBondContact O-N 3.44Å; C340-L343 WeakPolarHBondContact O-CB 3.49Å; C340-L343 PolarHBondContact O-N 2.84Å; C340-L343 VanDerWaalsContact O-N 3.15Å; C340-A344 PolarHBondContact O-N 3.16Å
341S98.8Very high98.6Very high2 Ų215 Ų151%0.0147%0.073CC..Hα-helixtrans-66.1-37.5176.9-48.30000111.9S337 F338 Q339 A344 A345 P369 L384S337-S341 PolarHBondContact O-N 3.37Å; S337-S341 PolarHBondContact O-OG 3.21Å; F338-S341 PolarHBondContact O-N 2.83Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; S341-A344 PolarHBondContact O-N 3.08Å; S341-A345 PolarHBondContact O-N 3.39Å; S341-A345 VanDerWaalsContact O-N 3.15Å; S341-P369 WeakPolarHBondContact OG-CG 3.23Å; S341-L384 WeakPolarHBondContact OG-CB 3.12Å; S341-L384 WeakPolarHBondContact OG-CD2 3.4Å
342Q98.9Very high98.6Very high22 Ų2214.3 Ų14.310%0.1037%0.07CC..Hα-helixtrans-63.7-39.5170.6-72.5-177.4-71.400112.1L292 A293 L298 F338 Q339 C340 G346L292-Q342 HydrophobicContact CB-CB 4.17Å; L292-Q342 HydrophobicContact CD2-CB 3.63Å; A293-Q342 PolarHBondContact N-O 3.36Å; A293-Q342 PolarHBondContact O-NE2 2.75Å; L298-Q342 HydrophobicContact CD1-CG 4.24Å; F338-Q342 VanDerWaalsContact CE1-CD 3.47Å; F338-Q342 HydrophobicContact CE1-CG 4.26Å; F338-Q342 HydrophobicContact CE2-CG 4.34Å; F338-Q342 HydrophobicContact CZ-CG 4.12Å; F338-Q342 WeakPolarHBondContact O-CG 3.29Å; F338-Q342 PolarHBondContact O-N 2.95Å; Q339-Q342 PolarHBondContact O-N 3.21Å; C340-Q342 VanDerWaalsContact C-N 3.35Å; C340-Q342 PolarHBondContact O-N 3.44Å; Q342-G346 PolarHBondContact O-N 3.36Å
343L98.9Very high98.6Very high11 Ų1116.3 Ų16.36%0.0588%0.081CC..Hα-helixtrans-65-42.1174.9-74175000111.7K250 M251 A290 R291 L292 Q339 C340 S347K250-L343 HydrophobicContact CB-CD1 3.62Å; K250-L343 HydrophobicContact CD-CD1 4.4Å; M251-L343 HydrophobicContact CG-CB 3.72Å; M251-L343 HydrophobicContact CG-CD1 4.11Å; M251-L343 HydrophobicContact SD-CB 4.13Å; A290-L343 HydrophobicContact CB-CD2 4.38Å; R291-L343 WeakPolarHBondContact O-CA 3.41Å; L292-L343 HydrophobicContact CD2-CD2 3.73Å; L292-L343 HydrophobicContact CD2-CG 3.73Å; L292-L343 HydrophobicContact CG-CD2 4.26Å; Q339-L343 WeakPolarHBondContact O-CG 3.47Å; Q339-L343 PolarHBondContact O-N 2.94Å; C340-L343 WeakPolarHBondContact O-CB 3.49Å; C340-L343 PolarHBondContact O-N 2.84Å; C340-L343 VanDerWaalsContact O-N 3.15Å; L343-S347 WeakPolarHBondContact O-CB 3.11Å; L343-S347 PolarHBondContact O-N 3.26Å; L343-S347 PolarHBondContact O-OG 2.98Å
344A98.9Very high98.5Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-59.4-51.8178.300000111.7M251 C340 S341 C348 V367M251-A344 HydrophobicContact SD-CB 4.32Å; C340-A344 PolarHBondContact O-N 3.16Å; S341-A344 PolarHBondContact O-N 3.08Å; A344-C348 PolarHBondContact O-N 3.36Å; A344-C348 PolarHBondContact O-SG 3.37Å; A344-V367 HydrophobicContact CB-CB 3.9Å; A344-V367 HydrophobicContact CB-CG1 4.47Å; A344-V367 HydrophobicContact CB-CG2 4.43Å
345A98.9Very high98.5Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-63.7-51.8177.100000112.6A293 S341 S347 C348 F349 L390A293-A345 HydrophobicContact CB-CB 3.8Å; S341-A345 PolarHBondContact O-N 3.39Å; S341-A345 VanDerWaalsContact O-N 3.15Å; A345-S347 VanDerWaalsContact C-N 3.29Å; A345-S347 PolarHBondContact O-N 2.78Å; A345-C348 PolarHBondContact O-N 2.82Å; A345-C348 VanDerWaalsContact O-N 3.11Å; A345-F349 HydrophobicContact CB-CE1 4.36Å; A345-F349 HydrophobicContact CB-CE2 4.35Å; A345-F349 HydrophobicContact CB-CZ 3.93Å; A345-F349 WeakPolarHBondContact O-CD1 3.41Å; A345-F349 VanDerWaalsContact O-CG 3.28Å; A345-F349 WeakPolarHBondContact O-CG 2.99Å; A345-F349 PolarHBondContact O-N 2.96Å; A345-F349 VanDerWaalsContact O-N 3.08Å; A345-L390 HydrophobicContact CB-CD1 4.21Å
346G98.9Very high98.3Very high0 Ų016.8 Ų16.80%08%0.084CC..Hα-helixtrans-66-28.6-177.400000114R291 Q342 N350R291-G346 WeakPolarHBondContact CG-O 3.4Å; R291-G346 CarbonylContact O-C 3.56Å; R291-G346 VanDerWaalsContact O-CA 3.29Å; R291-G346 WeakPolarHBondContact O-CA 3.12Å; Q342-G346 PolarHBondContact O-N 3.36Å; G346-N350 PolarHBondContact O-N 3.48Å
347S98.9Very high98.1Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-61.6-47.5170.1-66.50000111.9A290 L343 A345 F349 N350 V351A290-S347 WeakPolarHBondContact CB-OG 3.2Å; L343-S347 WeakPolarHBondContact O-CB 3.11Å; L343-S347 PolarHBondContact O-N 3.26Å; L343-S347 PolarHBondContact O-OG 2.98Å; A345-S347 VanDerWaalsContact C-N 3.29Å; A345-S347 PolarHBondContact O-N 2.78Å; S347-F349 VanDerWaalsContact C-N 3.33Å; S347-F349 PolarHBondContact O-N 3.19Å; S347-N350 PolarHBondContact O-N 2.58Å; S347-V351 WeakPolarHBondContact O-CG2 3.45Å; S347-V351 PolarHBondContact O-N 3.02Å
348C98.9Very high97.7Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-65.3-38179.1-61.70000111.7A344 A345 N350 V351 V352 T387 T391 L538 I540A344-C348 PolarHBondContact O-N 3.36Å; A344-C348 PolarHBondContact O-SG 3.37Å; A345-C348 PolarHBondContact O-N 2.82Å; A345-C348 VanDerWaalsContact O-N 3.11Å; C348-N350 PolarHBondContact O-N 3.1Å; C348-V351 PolarHBondContact O-N 3.06Å; C348-V352 PolarHBondContact O-N 3.33Å; C348-T387 HydrophobicContact CB-CG2 4.19Å; C348-T387 WeakPolarHBondContact SG-CG2 3.22Å; C348-T391 HydrophobicContact CB-CG2 4.14Å; C348-T391 VanDerWaalsContact CB-OG1 3.24Å; C348-T391 WeakPolarHBondContact CB-OG1 3.5Å; C348-L538 HydrophobicContact CB-CD2 4.32Å; C348-I540 HydrophobicContact CB-CD1 4.42Å
349F98.9Very high97.4Very high0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-58.3-47.4175.4-59.2-11.8000112.1A293 E297 A345 S347 V351 V352 D353 L390 Y394A293-F349 HydrophobicContact CB-CD2 4.35Å; A293-F349 HydrophobicContact CB-CE2 3.61Å; A293-F349 HydrophobicContact CB-CZ 4.32Å; E297-F349 HydrophobicContact CB-CE2 3.69Å; E297-F349 HydrophobicContact CB-CZ 4.34Å; E297-F349 HydrophobicContact CG-CE2 4.2Å; A345-F349 HydrophobicContact CB-CE1 4.36Å; A345-F349 HydrophobicContact CB-CE2 4.35Å; A345-F349 HydrophobicContact CB-CZ 3.93Å; A345-F349 WeakPolarHBondContact O-CD1 3.41Å; A345-F349 VanDerWaalsContact O-CG 3.28Å; A345-F349 WeakPolarHBondContact O-CG 2.99Å; A345-F349 PolarHBondContact O-N 2.96Å; A345-F349 VanDerWaalsContact O-N 3.08Å; S347-F349 VanDerWaalsContact C-N 3.33Å; S347-F349 PolarHBondContact O-N 3.19Å; F349-V351 VanDerWaalsContact C-N 3.32Å; F349-V351 PolarHBondContact O-N 3.03Å; F349-V352 PolarHBondContact O-N 3.24Å; F349-D353 PolarHBondContact O-N 3.38Å; F349-L390 HydrophobicContact CE1-CB 3.92Å; F349-L390 HydrophobicContact CZ-CB 3.94Å; F349-Y394 HydrophobicContact CB-CD1 3.73Å; F349-Y394 HydrophobicContact CB-CD2 4.25Å; F349-Y394 HydrophobicContact CB-CE1 3.62Å; F349-Y394 HydrophobicContact CB-CE2 4.16Å; F349-Y394 HydrophobicContact CB-CG 4.04Å; F349-Y394 HydrophobicContact CD1-CD1 4.04Å; F349-Y394 HydrophobicContact CD1-CD2 4.21Å; F349-Y394 AromaticContact CD1-CG 3.72Å; F349-Y394 HydrophobicContact CD1-CG 3.72Å; F349-Y394 AromaticContact CD2-CD2 3.87Å; F349-Y394 HydrophobicContact CD2-CD2 3.87Å; F349-Y394 HydrophobicContact CD2-CE2 4.09Å; F349-Y394 HydrophobicContact CD2-CG 4.21Å; F349-Y394 HydrophobicContact CE1-CG 4.26Å; F349-Y394 HydrophobicContact CE2-CD2 4.28Å; F349-Y394 AromaticContact CG-CD1 3.92Å; F349-Y394 HydrophobicContact CG-CD1 3.92Å; F349-Y394 AromaticContact CG-CD2 3.84Å; F349-Y394 HydrophobicContact CG-CD2 3.84Å; F349-Y394 HydrophobicContact CG-CE1 4.22Å; F349-Y394 HydrophobicContact CG-CE2 4.17Å; F349-Y394 AromaticContact CG-CG 3.71Å; F349-Y394 HydrophobicContact CG-CG 3.71Å
350N98.6Very high97.3Very high36 Ų3621 Ų2119%0.19313%0.126CC..Hα-helixtrans-62.1-36.9177.7-82.50.4000112.9I288 P289 R291 G346 S347 C348 A354I288-N350 HydrophobicContact CG2-CB 3.68Å; P289-N350 PolarHBondContact O-ND2 3.18Å; R291-N350 WeakPolarHBondContact CD-OD1 3.39Å; R291-N350 PolarHBondContact NE-OD1 3.43Å; G346-N350 PolarHBondContact O-N 3.48Å; S347-N350 PolarHBondContact O-N 2.58Å; C348-N350 PolarHBondContact O-N 3.1Å; N350-A354 PolarHBondContact O-N 2.79Å
351V98.7Very high97.1Very high0 Ų022 Ų220%013%0.132CC..Hα-helixtrans-70.1-41.4176.6-178.40000110.8V246 I288 S347 C348 F349 A354 I355 L360 L538V246-V351 HydrophobicContact CB-CG2 3.85Å; V246-V351 HydrophobicContact CG1-CG2 3.51Å; I288-V351 HydrophobicContact CB-CG2 4.04Å; I288-V351 HydrophobicContact CG1-CG2 4.2Å; I288-V351 HydrophobicContact CG2-CG2 3.82Å; S347-V351 WeakPolarHBondContact O-CG2 3.45Å; S347-V351 PolarHBondContact O-N 3.02Å; C348-V351 PolarHBondContact O-N 3.06Å; F349-V351 VanDerWaalsContact C-N 3.32Å; F349-V351 PolarHBondContact O-N 3.03Å; V351-A354 PolarHBondContact O-N 3.36Å; V351-I355 HydrophobicContact CG1-CD1 3.84Å; V351-I355 HydrophobicContact CG1-CG1 4.4Å; V351-I355 WeakPolarHBondContact O-CG1 3.43Å; V351-I355 PolarHBondContact O-N 3.4Å; V351-L360 HydrophobicContact CG1-CD1 4.33Å; V351-L538 HydrophobicContact CB-CD1 4.18Å; V351-L538 HydrophobicContact CB-CD2 4.29Å; V351-L538 HydrophobicContact CG1-CD1 3.61Å; V351-L538 HydrophobicContact CG1-CD2 4.32Å
352V98.2Very high97.1Very high0 Ų022 Ų220%013%0.132CC..Hα-helixtrans-63.4-42175.3167.60000112.3C348 F349 A354 I355 L356 T391 A395 L497 L499 L538C348-V352 PolarHBondContact O-N 3.33Å; F349-V352 PolarHBondContact O-N 3.24Å; V352-A354 VanDerWaalsContact C-N 3.28Å; V352-A354 PolarHBondContact O-N 2.6Å; V352-I355 PolarHBondContact O-N 3.27Å; V352-L356 HydrophobicContact CG1-CD1 3.59Å; V352-L356 HydrophobicContact CG1-CG 3.92Å; V352-L356 WeakPolarHBondContact O-CB 3.18Å; V352-L356 WeakPolarHBondContact O-CG 3.38Å; V352-L356 PolarHBondContact O-N 2.87Å; V352-T391 HydrophobicContact CB-CG2 4.39Å; V352-T391 HydrophobicContact CG2-CG2 3.38Å; V352-A395 HydrophobicContact CG1-CB 3.77Å; V352-L497 HydrophobicContact CG1-CD2 4.08Å; V352-L497 HydrophobicContact CG2-CD2 4.28Å; V352-L499 HydrophobicContact CG2-CD2 4.29Å; V352-L538 HydrophobicContact CG2-CD2 3.52Å
353D97.8Very high97.1Very high52 Ų5220.9 Ų20.928%0.27813%0.127SC..Hα-helixtrans-58.3-42.6175.2-79.1-30.1000111.4F349 S357 Y394F349-D353 PolarHBondContact O-N 3.38Å; D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.5Å; D353-S357 PolarHBondContact O-N 3.15Å; D353-S357 PolarHBondContact O-OG 3.44Å; D353-Y394 VanDerWaalsContact OD1-CE1 3.3Å; D353-Y394 WeakPolarHBondContact OD1-CE1 3.38Å; D353-Y394 WeakPolarHBondContact OD2-CE1 3.26Å; D353-Y394 PolarHBondContact OD2-OH 3.03Å
354A97.3Very high97.1Very high6 Ų620.4 Ų20.45%0.0512%0.124CC..Hα-helixtrans-69.1-34.217800000112.7I288 N350 V351 V352 S357 G358 Q359 L360I288-A354 HydrophobicContact CD1-CB 3.99Å; N350-A354 PolarHBondContact O-N 2.79Å; V351-A354 PolarHBondContact O-N 3.36Å; V352-A354 VanDerWaalsContact C-N 3.28Å; V352-A354 PolarHBondContact O-N 2.6Å; A354-S357 PolarHBondContact O-OG 3.44Å; A354-G358 PolarHBondContact O-N 2.85Å; A354-Q359 HydrophobicContact CB-CB 4.37Å; A354-Q359 WeakPolarHBondContact O-CA 3.29Å; A354-Q359 WeakPolarHBondContact O-CB 3.29Å; A354-Q359 PolarHBondContact O-N 3Å; A354-L360 HydrophobicContact CB-CD1 3.65Å; A354-L360 HydrophobicContact CB-CG 3.84Å; A354-L360 PolarHBondContact O-N 3.24Å
355I96.6Very high97.1Very high2 Ų220.4 Ų20.41%0.0112%0.124CC..Hα-helixtrans-69.6-49.1173-70.7169.7000111.5V351 V352 S357 G358 L360 L497 R536 L538V351-I355 HydrophobicContact CG1-CD1 3.84Å; V351-I355 HydrophobicContact CG1-CG1 4.4Å; V351-I355 WeakPolarHBondContact O-CG1 3.43Å; V351-I355 PolarHBondContact O-N 3.4Å; V352-I355 PolarHBondContact O-N 3.27Å; I355-S357 VanDerWaalsContact C-N 3.34Å; I355-S357 PolarHBondContact O-N 3.2Å; I355-G358 PolarHBondContact O-N 3.14Å; I355-G358 VanDerWaalsContact O-N 3.1Å; I355-L360 HydrophobicContact CG1-CB 3.91Å; I355-L360 HydrophobicContact CG1-CD1 4.38Å; I355-L497 HydrophobicContact CG2-CD1 4.27Å; I355-R536 HydrophobicContact CG2-CB 3.72Å; I355-R536 HydrophobicContact CG2-CG 3.63Å; I355-L538 HydrophobicContact CD1-CB 4.19Å
356L94.4Very high97.1Very high46 Ų4620.4 Ų20.424%0.24112%0.124CC..Hα-helixtrans-70.3-29.3-177.2-68.1-179.3000112.9V352 G358 A395 L404V352-L356 HydrophobicContact CG1-CD1 3.59Å; V352-L356 HydrophobicContact CG1-CG 3.92Å; V352-L356 WeakPolarHBondContact O-CB 3.18Å; V352-L356 WeakPolarHBondContact O-CG 3.38Å; V352-L356 PolarHBondContact O-N 2.87Å; L356-G358 VanDerWaalsContact C-N 3.27Å; L356-A395 HydrophobicContact CD1-CB 4.09Å; L356-L404 HydrophobicContact CD1-CD2 4.31Å; L356-L404 HydrophobicContact CD2-CD2 4.37Å
357S93.1Very high97.1Very high71 Ų7120.4 Ų20.450%0.49713%0.125SC..THydrogen-bonded Turntrans-80.8-1.9171.661.60000114.1D353 A354 I355 Q359D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.5Å; D353-S357 PolarHBondContact O-N 3.15Å; D353-S357 PolarHBondContact O-OG 3.44Å; A354-S357 PolarHBondContact O-OG 3.44Å; I355-S357 VanDerWaalsContact C-N 3.34Å; I355-S357 PolarHBondContact O-N 3.2Å; S357-Q359 VanDerWaalsContact C-N 3.3Å; S357-Q359 PolarHBondContact O-N 2.94Å; S357-Q359 PolarHBondContact OG-NE2 3.08Å
358G90.8Very high97.1Very high50 Ų5020.4 Ų20.452%0.51513%0.125SC..THydrogen-bonded Turntrans72.217.3178.800000114.9A354 I355 L356 L360A354-G358 PolarHBondContact O-N 2.85Å; I355-G358 PolarHBondContact O-N 3.14Å; I355-G358 VanDerWaalsContact O-N 3.1Å; L356-G358 VanDerWaalsContact C-N 3.27Å; G358-L360 VanDerWaalsContact C-N 3.35Å
359Q93.3Very high97.1Very high134 Ų13420.5 Ų20.563%0.62613%0.125SC*.SBendtrans-74.8-30.3170.2-61.1176.630.300111.3A354 S357A354-Q359 HydrophobicContact CB-CB 4.37Å; A354-Q359 WeakPolarHBondContact O-CA 3.29Å; A354-Q359 WeakPolarHBondContact O-CB 3.29Å; A354-Q359 PolarHBondContact O-N 3Å; S357-Q359 VanDerWaalsContact C-N 3.3Å; S357-Q359 PolarHBondContact O-N 2.94Å; S357-Q359 PolarHBondContact OG-NE2 3.08Å
360L95.5Very high97.1Very high8 Ų820.6 Ų20.64%0.04213%0.126CC..  trans-122.2153.9173.6-59.1178000110.4T242 H286 I288 V351 A354 I355 G358T242-L360 HydrophobicContact CG2-CD2 3.7Å; H286-L360 HydrophobicContact CB-CD2 3.83Å; I288-L360 HydrophobicContact CD1-CD1 4.06Å; I288-L360 HydrophobicContact CG1-CD1 4.02Å; V351-L360 HydrophobicContact CG1-CD1 4.33Å; A354-L360 HydrophobicContact CB-CD1 3.65Å; A354-L360 HydrophobicContact CB-CG 3.84Å; A354-L360 PolarHBondContact O-N 3.24Å; I355-L360 HydrophobicContact CG1-CB 3.91Å; I355-L360 HydrophobicContact CG1-CD1 4.38Å; G358-L360 VanDerWaalsContact C-N 3.35Å
361S95Very high97.1Very high22 Ų2218.9 Ų18.915%0.15412%0.117CC..SBendtrans-83-43.9167.4-50.30000110.8T241 T242 R536T241-S361 WeakPolarHBondContact CA-OG 3.27Å; T242-S361 PolarHBondContact N-OG 3.37Å; T242-S361 PolarHBondContact O-N 3.48Å; S361-R536 WeakPolarHBondContact O-CA 3.4Å
362N98.6Very high97.1Very high1 Ų119 Ų191%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-154.7-178.9-17357.836.1000110.5T242 T243 G244 V537 L561T242-N362 PolarHBondContact O-N 2.82Å; T243-N362 WeakPolarHBondContact CA-O 3.26Å; T243-N362 VanDerWaalsContact CA-OD1 3.23Å; T243-N362 WeakPolarHBondContact CA-OD1 3.24Å; T243-N362 VanDerWaalsContact CB-OD1 3.23Å; T243-N362 WeakPolarHBondContact CB-OD1 3.46Å; T243-N362 WeakPolarHBondContact CG2-OD1 3.34Å; T243-N362 PolarHBondContact OG1-OD1 3.36Å; G244-N362 PolarHBondContact N-O 2.82Å; N362-V537 CarbonylContact C-O 3.56Å; N362-V537 VanDerWaalsContact CA-O 3.27Å; N362-V537 WeakPolarHBondContact CA-O 3.43Å; N362-V537 VanDerWaalsContact CB-O 3.25Å; N362-V537 WeakPolarHBondContact CB-O 3.28Å; N362-L561 HydrophobicContact CB-CD2 4.08Å; N362-L561 PolarHBondContact ND2-O 2.94Å; N362-L561 PolarHBondContact OD1-O 2.87Å
363G98.6Very high97.1Very high0 Ų019.2 Ų19.20%012%0.118CC..EExtended strand (participates in β ladder)trans-169.7171.3174.300000116.5G244 V537 L538 I539 L561G244-G363 CarbonylContact O-C 3.56Å; G244-G363 WeakPolarHBondContact O-CA 3.5Å; G363-V537 PolarHBondContact N-O 2.85Å; G363-L538 WeakPolarHBondContact O-CA 3.11Å; G363-L538 WeakPolarHBondContact O-CD1 3.2Å; G363-I539 PolarHBondContact O-N 3.4Å; G363-L561 WeakPolarHBondContact O-CD1 3.15Å
364V98.9Very high97.2Very high0 Ų016.7 Ų16.70%011%0.105CC..EExtended strand (participates in β ladder)trans-129134.6177.461.10000111G244 L245 V246 I366 I539 M554 T558 L561G244-V364 PolarHBondContact O-N 2.86Å; L245-V364 WeakPolarHBondContact CA-O 3.37Å; L245-V364 HydrophobicContact CB-CG1 4.1Å; L245-V364 HydrophobicContact CD1-CG1 4.27Å; L245-V364 HydrophobicContact CG-CG1 3.99Å; V246-V364 PolarHBondContact N-O 3.08Å; V364-I366 HydrophobicContact CG2-CG1 4.38Å; V364-I539 WeakPolarHBondContact CA-O 3.38Å; V364-I539 HydrophobicContact CG2-CB 4.41Å; V364-I539 HydrophobicContact CG2-CG2 4.48Å; V364-M554 HydrophobicContact CG2-CE 3.72Å; V364-M554 HydrophobicContact CG2-CG 4.32Å; V364-M554 HydrophobicContact CG2-SD 3.5Å; V364-M554 WeakPolarHBondContact CG2-SD 3.4Å; V364-T558 HydrophobicContact CG1-CG2 4.11Å; V364-L561 HydrophobicContact CB-CD1 4.29Å
365A98.9Very high97.2Very high0 Ų018.5 Ų18.50%011%0.112CC..EExtended strand (participates in β ladder)trans-116.8106.5179.100000110.5V246 V367 L538 I539 L541V246-A365 HydrophobicContact CG1-CB 3.62Å; A365-V367 VanDerWaalsContact C-N 3.34Å; A365-V367 HydrophobicContact CB-CG1 4.02Å; A365-V367 HydrophobicContact CB-CG2 4.42Å; A365-V367 PolarHBondContact O-N 3.01Å; A365-L538 HydrophobicContact CB-CD1 4.26Å; A365-I539 PolarHBondContact N-O 3.26Å; A365-L541 PolarHBondContact O-N 2.94Å; A365-L541 VanDerWaalsContact O-N 3.1Å
366I98.9Very high97.3Very high0 Ų024.8 Ų24.80%014%0.136CC..  trans-90.976.6179-50.3164.2000107.3L245 V246 Y247 M251 I269 I272 F273 L276 V364L245-I366 HydrophobicContact CD1-CD1 4.31Å; L245-I366 HydrophobicContact CD2-CD1 4.19Å; L245-I366 HydrophobicContact CG-CD1 4.24Å; V246-I366 PolarHBondContact O-N 3.07Å; Y247-I366 HydrophobicContact CD2-CB 4.13Å; Y247-I366 HydrophobicContact CD2-CG2 3.97Å; M251-I366 WeakPolarHBondContact CE-O 3.45Å; I269-I366 HydrophobicContact CB-CG2 3.85Å; I269-I366 HydrophobicContact CG2-CG2 3.97Å; I272-I366 HydrophobicContact CB-CG2 4.04Å; I272-I366 HydrophobicContact CG2-CD1 3.97Å; I272-I366 HydrophobicContact CG2-CG1 4Å; I272-I366 HydrophobicContact CG2-CG2 3.74Å; F273-I366 HydrophobicContact CB-CD1 4.41Å; F273-I366 HydrophobicContact CD2-CD1 4.27Å; L276-I366 HydrophobicContact CD2-CD1 4.01Å; V364-I366 HydrophobicContact CG2-CG1 4.38Å
367V98.9Very high97.5Very high1 Ų125.8 Ų25.81%0.00614%0.141CC..  trans-113.9155.8-168.5-67.10000112.7M251 A344 A365 I540M251-V367 HydrophobicContact CE-CB 4.39Å; M251-V367 HydrophobicContact CE-CG1 4.05Å; M251-V367 HydrophobicContact SD-CB 3.87Å; M251-V367 HydrophobicContact SD-CG1 3.89Å; A344-V367 HydrophobicContact CB-CB 3.9Å; A344-V367 HydrophobicContact CB-CG1 4.47Å; A344-V367 HydrophobicContact CB-CG2 4.43Å; A365-V367 VanDerWaalsContact C-N 3.34Å; A365-V367 HydrophobicContact CB-CG1 4.02Å; A365-V367 HydrophobicContact CB-CG2 4.42Å; A365-V367 PolarHBondContact O-N 3.01Å; V367-I540 HydrophobicContact CG2-CG2 3.92Å
368R98.7Very high97.7Very high0 Ų023.9 Ų23.90%013%0.13CC..SBendtrans-157.7156.5165.767.6178.9-70.8-92.56.9111.1M251 H254 E264 I269M251-R368 HydrophobicContact CB-CG 4.02Å; M251-R368 WeakPolarHBondContact CB-O 3.35Å; M251-R368 VanDerWaalsContact O-CG 3.3Å; M251-R368 WeakPolarHBondContact O-CG 3.23Å; M251-R368 PolarHBondContact O-NH1 2.96Å; H254-R368 VanDerWaalsContact O-CZ 3.26Å; H254-R368 PolarHBondContact O-NH1 3.46Å; H254-R368 PolarHBondContact O-NH2 2.87Å; E264-R368 IonicContact OE1-CZ 3.26Å; E264-R368 IonicContact OE1-NE 3.54Å; E264-R368 PolarHBondContact OE1-NE 3.44Å; E264-R368 IonicContact OE1-NH2 3.62Å; E264-R368 IonicContact OE2-CZ 2.61Å; E264-R368 IonicContact OE2-NE 2.66Å; E264-R368 PolarHBondContact OE2-NE 3.22Å; E264-R368 IonicContact OE2-NH2 3.34Å; E264-R368 PolarHBondContact OE2-NH2 3.02Å; I269-R368 HydrophobicContact CD1-CG 3.87Å; I269-R368 HydrophobicContact CG1-CG 4.17Å; I269-R368 HydrophobicContact CG2-CB 4.06Å; I269-R368 HydrophobicContact CG2-CG 3.88Å
369P98.7Very high98.1Very high1 Ų121.7 Ų21.71%0.00611%0.106CC..SBendcis-62.3163.9-3.924.7-32.8000113.8S341S341-P369 WeakPolarHBondContact OG-CG 3.23Å
370P98.8Very high98.3Very high3 Ų316.2 Ų16.22%0.0198%0.083CC..  trans-64.8175.5171.430.1-36.2000112.1F382 C383 E542P370-F382 HydrophobicContact CG-CB 3.91Å; P370-C383 VanDerWaalsContact C-SG 3.51Å; P370-C383 VanDerWaalsContact O-CA 3.31Å; P370-C383 WeakPolarHBondContact O-CA 3.49Å; P370-E542 WeakPolarHBondContact CB-OE2 3.34Å
371G98.8Very high98.4Very high0 Ų016 Ų160%08%0.082CC..  trans-133.2-30.8-175.300000117.6H373 A374 C383 F385 N386 E542G371-H373 VanDerWaalsContact C-N 3.27Å; G371-H373 PolarHBondContact O-N 2.84Å; G371-A374 WeakPolarHBondContact O-CB 3.28Å; G371-A374 PolarHBondContact O-N 2.84Å; G371-C383 PolarHBondContact N-SG 2.78Å; G371-C383 VanDerWaalsContact N-SG 3.39Å; G371-F385 WeakPolarHBondContact CA-O 3.27Å; G371-N386 VanDerWaalsContact O-CA 3.28Å; G371-N386 WeakPolarHBondContact O-CA 3.46Å; G371-N386 WeakPolarHBondContact O-CB 3.32Å; G371-E542 PolarHBondContact N-OE2 3.14Å
372H98.8Very high98.6Very high2 Ų216 Ų161%0.0098%0.08CC..THydrogen-bonded Turntrans-61.8-23.4-162.674.7146.7000116.3N386 D410 D412 G416 G418 T419 E542H372-N386 PolarHBondContact O-ND2 3.08Å; H372-D410 IonicContact CG-OD2 3.21Å; H372-D410 IonicContact ND1-OD1 2.75Å; H372-D410 IonicContact ND1-OD2 2.66Å; H372-D410 PolarHBondContact ND1-OD2 3.33Å; H372-D412 IonicContact CE1-OD1 3.71Å; H372-D412 PolarHBondContact CE1-OD1 3.28Å; H372-D412 IonicContact CE1-OD2 2.74Å; H372-D412 IonicContact NE2-OD1 3.12Å; H372-D412 IonicContact NE2-OD2 3.38Å; H372-G416 WeakPolarHBondContact ND1-CA 3.32Å; H372-G416 CarbonylContact O-C 3.57Å; H372-G416 WeakPolarHBondContact O-CA 3.14Å; H372-G418 PolarHBondContact O-N 2.88Å; H372-T419 PolarHBondContact O-N 3.47Å; H372-T419 PolarHBondContact O-OG1 3.12Å; H372-E542 HydrophobicContact CB-CG 4.41Å; H372-E542 IonicContact CD2-OE2 3.48Å; H372-E542 PolarHBondContact CD2-OE2 3.07Å; H372-E542 IonicContact CG-OE2 2.78Å; H372-E542 PolarHBondContact N-OE2 2.84Å
373H98.9Very high98.6Very high4 Ų416 Ų162%0.0198%0.079CC..THydrogen-bonded Turntrans-84.4-14.7173.9-70.3-57.6000114.6G371 E375 C380 C383 H414 H415 N417 F443G371-H373 VanDerWaalsContact C-N 3.27Å; G371-H373 PolarHBondContact O-N 2.84Å; H373-E375 PolarHBondContact O-N 2.94Å; H373-C380 HydrophobicContact CB-CB 4.27Å; H373-C380 VanDerWaalsContact CB-O 3.27Å; H373-C380 WeakPolarHBondContact CB-O 3.4Å; H373-C383 HydrophobicContact CB-CB 4.02Å; H373-C383 PolarHBondContact N-SG 3.25Å; H373-H414 VanDerWaalsContact CE1-CB 3.49Å; H373-H414 WeakPolarHBondContact CE1-CB 3.41Å; H373-H414 WeakPolarHBondContact NE2-CB 3.34Å; H373-H414 AromaticContact NE2-CG 3.96Å; H373-H415 PolarHBondContact CE1-O 3.24Å; H373-H415 PolarHBondContact ND1-O 2.85Å; H373-N417 PolarHBondContact ND1-OD1 2.92Å; H373-N417 PolarHBondContact O-ND2 3.29Å; H373-F443 AromaticContact CD2-CE1 3.88Å; H373-F443 AromaticContact CE1-CD1 3.9Å; H373-F443 AromaticContact CE1-CE1 3.56Å; H373-F443 AromaticContact ND1-CE1 3.95Å; H373-F443 AromaticContact NE2-CD1 3.85Å; H373-F443 AromaticContact NE2-CE1 3.45Å; H373-F443 WeakPolarHBondContact NE2-CE1 3.43Å
374A98.8Very high98.6Very high0 Ų016 Ų160%08%0.08CC..  trans-71123-174.100000111.2H302 G371 C383 N386 M422H302-A374 VanDerWaalsContact NE2-C 3.34Å; H302-A374 VanDerWaalsContact NE2-CB 3.26Å; H302-A374 WeakPolarHBondContact NE2-CB 3.4Å; H302-A374 PolarHBondContact NE2-O 2.57Å; G371-A374 WeakPolarHBondContact O-CB 3.28Å; G371-A374 PolarHBondContact O-N 2.84Å; A374-C383 HydrophobicContact CB-CB 3.75Å; A374-N386 HydrophobicContact CB-CB 4.31Å; A374-M422 WeakPolarHBondContact O-CE 3.26Å
375E98.8Very high98.6Very high44 Ų4416.1 Ų16.121%0.2068%0.08CC..  trans-83.5168.2178.6-68.4-66.5171.300111.7H302 H373 D377 A378 N417 H421H302-E375 PolarHBondContact CE1-O 2.79Å; H302-E375 PolarHBondContact ND1-O 2.87Å; H302-E375 PolarHBondContact NE2-O 2.92Å; H373-E375 PolarHBondContact O-N 2.94Å; E375-D377 PolarHBondContact O-N 3.41Å; E375-A378 HydrophobicContact CB-CB 4.46Å; E375-A378 WeakPolarHBondContact CB-O 3.38Å; E375-A378 PolarHBondContact N-O 3.18Å; E375-N417 PolarHBondContact OE1-ND2 3.19Å; E375-H421 IonicContact OE1-CE1 2.9Å; E375-H421 PolarHBondContact OE1-CE1 3.04Å; E375-H421 IonicContact OE1-CG 3.59Å; E375-H421 IonicContact OE1-ND1 3.29Å; E375-H421 PolarHBondContact OE1-ND1 3.28Å; E375-H421 IonicContact OE2-CG 2.74Å; E375-H421 IonicContact OE2-ND1 3.02Å; E375-H421 PolarHBondContact OE2-ND1 2.87Å
376R98.4Very high98.6Very high134 Ų13416.1 Ų16.151%0.5068%0.08SC..SBendtrans-51.6-38.8174.4-178.2-177.5-178.9-78.7-5.1113.5C301 H302 S303C301-R376 WeakPolarHBondContact O-CG 3.28Å; H302-R376 CarbonylContact C-O 3.53Å; H302-R376 WeakPolarHBondContact CA-O 3.22Å; H302-R376 WeakPolarHBondContact CE1-CA 3.49Å; H302-R376 PolarHBondContact CE1-O 2.86Å; S303-R376 PolarHBondContact N-O 2.79Å
377D98.2Very high98.6Very high67 Ų6716.3 Ų16.336%0.3588%0.081SC..SBendtrans-123.32-168.9-70.7-75.9000114.2S303 E375S303-D377 WeakPolarHBondContact CB-OD1 3.27Å; S303-D377 PolarHBondContact OG-OD1 3.05Å; E375-D377 PolarHBondContact O-N 3.41Å
378A98.1Very high98.6Very high31 Ų3116.3 Ų16.326%0.2568%0.081SC..  trans-153143.3-17700000113.4F328 E375F328-A378 HydrophobicContact CD1-CB 4.43Å; F328-A378 HydrophobicContact CE1-CB 4.34Å; E375-A378 HydrophobicContact CB-CB 4.46Å; E375-A378 WeakPolarHBondContact CB-O 3.38Å; E375-A378 PolarHBondContact N-O 3.18Å
379P98.4Very high98.6Very high3 Ų316.3 Ų16.32%0.0198%0.081CC..  trans-78.7151.4165.736.2-32000110.5H306 M310 F328 I331 F333 C383H306-P379 VanDerWaalsContact CE1-CD 3.5Å; H306-P379 WeakPolarHBondContact CE1-CD 3.42Å; M310-P379 HydrophobicContact CE-CG 4.03Å; M310-P379 HydrophobicContact SD-CB 4.39Å; M310-P379 HydrophobicContact SD-CG 4.24Å; F328-P379 HydrophobicContact CB-CG 4.33Å; F328-P379 HydrophobicContact CD1-CG 3.96Å; F328-P379 HydrophobicContact CD2-CG 3.74Å; F328-P379 HydrophobicContact CE1-CG 4.22Å; F328-P379 HydrophobicContact CE2-CG 4Å; F328-P379 HydrophobicContact CG-CG 3.73Å; F328-P379 HydrophobicContact CZ-CG 4.25Å; I331-P379 HydrophobicContact CD1-CB 3.9Å; I331-P379 HydrophobicContact CG1-CB 4.11Å; I331-P379 HydrophobicContact CG1-CG 4.41Å; F333-P379 HydrophobicContact CZ-CG 4.03Å; P379-C383 VanDerWaalsContact CA-O 3.26Å; P379-C383 WeakPolarHBondContact CA-O 3.21Å; P379-C383 VanDerWaalsContact CB-O 3.27Å; P379-C383 WeakPolarHBondContact CB-O 3.34Å
380C98.3Very high98.6Very high20 Ų2016.2 Ų16.214%0.1358%0.081CC..BIsolated β-bridgetrans-157.6148.6179.1-1720000110H373 F382 C383H373-C380 HydrophobicContact CB-CB 4.27Å; H373-C380 VanDerWaalsContact CB-O 3.27Å; H373-C380 WeakPolarHBondContact CB-O 3.4Å; C380-F382 PolarHBondContact O-N 2.95Å; C380-C383 PolarHBondContact N-O 2.95Å; C380-C383 VanDerWaalsContact N-O 3.1Å; C380-C383 WeakPolarHBondContact O-CA 3.39Å; C380-C383 VanDerWaalsContact O-CB 3.22Å; C380-C383 WeakPolarHBondContact O-CB 3.4Å; C380-C383 PolarHBondContact O-N 2.97Å
381G97.8Very high98.6Very high2 Ų216.1 Ų16.12%0.0218%0.08CC..THydrogen-bonded Turntrans54.653.6167.900000113.8T329 C383T329-G381 PolarHBondContact O-N 3.26Å; G381-C383 PolarHBondContact O-N 3.48Å; G381-C383 PolarHBondContact O-SG 3.36Å
382F98.4Very high98.6Very high24 Ų2416.1 Ų16.111%0.1058%0.08CC..THydrogen-bonded Turntrans62.9-8-173-35.1-45.8000115.9H262 P263 E264 S330 F332 P370 C380 Y545H262-F382 AromaticContact CE1-CD1 3.47Å; H262-F382 VanDerWaalsContact CE1-CD1 3.47Å; H262-F382 WeakPolarHBondContact CE1-CD1 3.42Å; H262-F382 AromaticContact CE1-CE1 3.25Å; H262-F382 WeakPolarHBondContact CE1-CE1 3.48Å; H262-F382 AromaticContact CE1-CZ 3.86Å; H262-F382 AromaticContact NE2-CD1 3.81Å; H262-F382 AromaticContact NE2-CE1 3.27Å; H262-F382 VanDerWaalsContact NE2-CE1 3.27Å; H262-F382 WeakPolarHBondContact NE2-CE1 3.25Å; P263-F382 HydrophobicContact CG-CZ 4.24Å; E264-F382 HydrophobicContact CB-CB 4.33Å; E264-F382 HydrophobicContact CB-CD1 4.5Å; E264-F382 HydrophobicContact CB-CD2 4.01Å; E264-F382 HydrophobicContact CB-CG 4.01Å; E264-F382 HydrophobicContact CG-CB 4.08Å; E264-F382 HydrophobicContact CG-CD2 4.23Å; E264-F382 HydrophobicContact CG-CG 4.24Å; S330-F382 WeakPolarHBondContact O-CD1 3.45Å; S330-F382 PolarHBondContact O-N 2.88Å; F332-F382 HydrophobicContact CD1-CD1 4.45Å; F332-F382 HydrophobicContact CE1-CD1 4.23Å; P370-F382 HydrophobicContact CG-CB 3.91Å; C380-F382 PolarHBondContact O-N 2.95Å; F382-Y545 HydrophobicContact CD2-CE1 4.19Å; F382-Y545 HydrophobicContact CE2-CE1 4.04Å; F382-Y545 AromaticContact CE2-CZ 3.91Å
383C98.8Very high98.6Very high0 Ų018.7 Ų18.70%09%0.089CC..BIsolated β-bridgetrans-90.6127.7-174.6-56.50000112P370 G371 H373 A374 P379 C380 G381P370-C383 VanDerWaalsContact C-SG 3.51Å; P370-C383 VanDerWaalsContact O-CA 3.31Å; P370-C383 WeakPolarHBondContact O-CA 3.49Å; G371-C383 PolarHBondContact N-SG 2.78Å; G371-C383 VanDerWaalsContact N-SG 3.39Å; H373-C383 HydrophobicContact CB-CB 4.02Å; H373-C383 PolarHBondContact N-SG 3.25Å; A374-C383 HydrophobicContact CB-CB 3.75Å; P379-C383 VanDerWaalsContact CA-O 3.26Å; P379-C383 WeakPolarHBondContact CA-O 3.21Å; P379-C383 VanDerWaalsContact CB-O 3.27Å; P379-C383 WeakPolarHBondContact CB-O 3.34Å; C380-C383 PolarHBondContact N-O 2.95Å; C380-C383 VanDerWaalsContact N-O 3.1Å; C380-C383 WeakPolarHBondContact O-CA 3.39Å; C380-C383 VanDerWaalsContact O-CB 3.22Å; C380-C383 WeakPolarHBondContact O-CB 3.4Å; C380-C383 PolarHBondContact O-N 2.97Å; G381-C383 PolarHBondContact O-N 3.48Å; G381-C383 PolarHBondContact O-SG 3.36Å
384L98.8Very high98.6Very high1 Ų119.3 Ų19.31%0.0059%0.092CC..SBendtrans-100.9-42.3179.2-88.369.2000112.9H306 M310 I331 F333 S341H306-L384 PolarHBondContact NE2-O 3.24Å; M310-L384 HydrophobicContact SD-CD2 4.15Å; M310-L384 HydrophobicContact SD-CG 4.03Å; I331-L384 HydrophobicContact CD1-CD1 4.26Å; F333-L384 HydrophobicContact CD1-CD2 4.1Å; F333-L384 HydrophobicContact CE1-CD1 4.26Å; F333-L384 HydrophobicContact CE1-CD2 3.9Å; F333-L384 HydrophobicContact CE1-CG 4.01Å; S341-L384 WeakPolarHBondContact OG-CB 3.12Å; S341-L384 WeakPolarHBondContact OG-CD2 3.4Å
385F98.9Very high98.6Very high2 Ų219.3 Ų19.31%0.0099%0.092CC..SBendtrans-136.9142.6173.8-62.8-55000108.9L298 H302 H306 I307 M310 F338 G371 T387 L390L298-F385 HydrophobicContact CD1-CD2 4.18Å; L298-F385 HydrophobicContact CD1-CE1 4.47Å; L298-F385 HydrophobicContact CD1-CE2 3.66Å; L298-F385 HydrophobicContact CD1-CZ 3.83Å; L298-F385 HydrophobicContact CD2-CB 4.31Å; L298-F385 HydrophobicContact CD2-CD1 4.42Å; L298-F385 HydrophobicContact CD2-CD2 3.69Å; L298-F385 HydrophobicContact CD2-CE2 4.06Å; L298-F385 HydrophobicContact CD2-CG 3.9Å; L298-F385 HydrophobicContact CG-CE2 4.48Å; H302-F385 HydrophobicContact CB-CD1 4.39Å; H302-F385 AromaticContact CD2-CD1 3.64Å; H302-F385 AromaticContact CG-CD1 3.76Å; H306-F385 AromaticContact CD2-CD1 3.95Å; H306-F385 AromaticContact CD2-CE1 3.72Å; H306-F385 AromaticContact NE2-CD1 3.8Å; H306-F385 AromaticContact NE2-CE1 3.73Å; I307-F385 HydrophobicContact CG1-CE1 4.05Å; I307-F385 HydrophobicContact CG1-CZ 4.41Å; M310-F385 HydrophobicContact CB-CE1 4.32Å; M310-F385 HydrophobicContact CB-CE2 4.39Å; M310-F385 HydrophobicContact CB-CZ 3.69Å; M310-F385 HydrophobicContact CG-CE1 4Å; M310-F385 HydrophobicContact CG-CZ 3.84Å; F338-F385 AromaticContact CD2-CE2 3.77Å; F338-F385 HydrophobicContact CD2-CE2 3.77Å; F338-F385 AromaticContact CD2-CZ 4Å; F338-F385 HydrophobicContact CD2-CZ 4Å; F338-F385 AromaticContact CE2-CE2 3.74Å; F338-F385 HydrophobicContact CE2-CE2 3.74Å; F338-F385 AromaticContact CE2-CZ 3.78Å; F338-F385 HydrophobicContact CE2-CZ 3.78Å; G371-F385 WeakPolarHBondContact CA-O 3.27Å; F385-T387 PolarHBondContact O-N 3.12Å; F385-L390 HydrophobicContact CB-CD1 3.94Å
386N98.9Very high98.6Very high0 Ų019.2 Ų19.20%09%0.091CC..  trans-78.988.9-176.8-167.7-41.2000110.5H302 G371 H372 A374 A388 A389 L390 T419 M422H302-N386 PolarHBondContact NE2-N 3.39Å; H302-N386 VanDerWaalsContact NE2-N 3.18Å; G371-N386 VanDerWaalsContact O-CA 3.28Å; G371-N386 WeakPolarHBondContact O-CA 3.46Å; G371-N386 WeakPolarHBondContact O-CB 3.32Å; H372-N386 PolarHBondContact O-ND2 3.08Å; A374-N386 HydrophobicContact CB-CB 4.31Å; N386-A388 VanDerWaalsContact C-N 3.34Å; N386-A388 PolarHBondContact O-N 3.07Å; N386-A388 PolarHBondContact OD1-N 2.76Å; N386-A389 HydrophobicContact CB-CB 3.94Å; N386-A389 VanDerWaalsContact CG-CB 3.46Å; N386-A389 PolarHBondContact O-N 3.47Å; N386-A389 VanDerWaalsContact OD1-CB 3.25Å; N386-A389 WeakPolarHBondContact OD1-CB 3.47Å; N386-A389 PolarHBondContact OD1-N 3.49Å; N386-L390 VanDerWaalsContact O-CB 3.24Å; N386-L390 WeakPolarHBondContact O-CB 3.31Å; N386-L390 VanDerWaalsContact O-CG 3.25Å; N386-L390 WeakPolarHBondContact O-CG 3.46Å; N386-L390 PolarHBondContact O-N 2.91Å; N386-T419 WeakPolarHBondContact ND2-CA 3.42Å; N386-T419 PolarHBondContact ND2-N 2.74Å; N386-T419 VanDerWaalsContact ND2-N 3.13Å; N386-T419 PolarHBondContact ND2-OG1 3.24Å; N386-M422 HydrophobicContact CB-CE 3.77Å; N386-M422 HydrophobicContact CB-SD 3.81Å
387T98.9Very high98.5Very high4 Ų419 Ų193%0.0259%0.094CC..Hα-helixtrans-54.5-45.2-177.9-64.50000112.5C348 F385 T391 I540C348-T387 HydrophobicContact CB-CG2 4.19Å; C348-T387 WeakPolarHBondContact SG-CG2 3.22Å; F385-T387 PolarHBondContact O-N 3.12Å; T387-T391 WeakPolarHBondContact O-CB 3.46Å; T387-T391 PolarHBondContact O-N 3.42Å; T387-T391 PolarHBondContact O-OG1 3.44Å; T387-I540 HydrophobicContact CG2-CG2 3.78Å
388A98.9Very high98.3Very high0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-65.6-48.1178.900000112.2N386 T391 A392 I408 L499 S501 I540N386-A388 VanDerWaalsContact C-N 3.34Å; N386-A388 PolarHBondContact O-N 3.07Å; N386-A388 PolarHBondContact OD1-N 2.76Å; A388-T391 WeakPolarHBondContact O-CB 3.37Å; A388-T391 PolarHBondContact O-N 3.02Å; A388-A392 PolarHBondContact O-N 3.1Å; A388-I408 HydrophobicContact CB-CG2 4.31Å; A388-L499 WeakPolarHBondContact O-CD1 3.22Å; A388-S501 WeakPolarHBondContact CB-OG 3.45Å; A388-I540 HydrophobicContact CB-CD1 4.38Å
389A98.9Very high97.9Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-64.4-43.6178.800000112.6C301 N386 T391 A392 R393 M422 F423C301-A389 VanDerWaalsContact SG-C 3.57Å; N386-A389 HydrophobicContact CB-CB 3.94Å; N386-A389 VanDerWaalsContact CG-CB 3.46Å; N386-A389 PolarHBondContact O-N 3.47Å; N386-A389 VanDerWaalsContact OD1-CB 3.25Å; N386-A389 WeakPolarHBondContact OD1-CB 3.47Å; N386-A389 PolarHBondContact OD1-N 3.49Å; A389-T391 VanDerWaalsContact C-N 3.27Å; A389-T391 PolarHBondContact O-N 3.26Å; A389-A392 PolarHBondContact O-N 2.91Å; A389-R393 PolarHBondContact O-N 3.33Å; A389-M422 HydrophobicContact CB-CB 4.41Å; A389-M422 HydrophobicContact CB-SD 3.45Å; A389-M422 WeakPolarHBondContact CB-SD 3.35Å; A389-F423 HydrophobicContact CB-CE2 3.43Å; A389-F423 VanDerWaalsContact CB-CE2 3.43Å; A389-F423 HydrophobicContact CB-CZ 3.68Å
390L98.9Very high97.4Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-58.7-41.3173.2-78.2171.2000111.3E297 L298 M300 C301 A345 F349 F385 N386 R393 Y394E297-L390 VanDerWaalsContact O-CD2 3.28Å; E297-L390 WeakPolarHBondContact O-CD2 3.17Å; L298-L390 HydrophobicContact CD2-CD1 3.79Å; L298-L390 WeakPolarHBondContact O-CD2 3.42Å; M300-L390 HydrophobicContact CB-CD2 4.4Å; C301-L390 HydrophobicContact CB-CD2 3.67Å; C301-L390 HydrophobicContact CB-CG 4.03Å; A345-L390 HydrophobicContact CB-CD1 4.21Å; F349-L390 HydrophobicContact CE1-CB 3.92Å; F349-L390 HydrophobicContact CZ-CB 3.94Å; F385-L390 HydrophobicContact CB-CD1 3.94Å; N386-L390 VanDerWaalsContact O-CB 3.24Å; N386-L390 WeakPolarHBondContact O-CB 3.31Å; N386-L390 VanDerWaalsContact O-CG 3.25Å; N386-L390 WeakPolarHBondContact O-CG 3.46Å; N386-L390 PolarHBondContact O-N 2.91Å; L390-R393 PolarHBondContact O-N 3.05Å; L390-Y394 VanDerWaalsContact O-CB 3.26Å; L390-Y394 WeakPolarHBondContact O-CB 3.41Å; L390-Y394 PolarHBondContact O-N 3.21Å
391T98.9Very high96.8Very high0 Ų029.1 Ų29.10%014%0.138CC..Hα-helixtrans-66.4-38.7178.5-61.80000111.3C348 V352 T387 A388 A389 Y394 A395 L499 L538 I540C348-T391 HydrophobicContact CB-CG2 4.14Å; C348-T391 VanDerWaalsContact CB-OG1 3.24Å; C348-T391 WeakPolarHBondContact CB-OG1 3.5Å; V352-T391 HydrophobicContact CB-CG2 4.39Å; V352-T391 HydrophobicContact CG2-CG2 3.38Å; T387-T391 WeakPolarHBondContact O-CB 3.46Å; T387-T391 PolarHBondContact O-N 3.42Å; T387-T391 PolarHBondContact O-OG1 3.44Å; A388-T391 WeakPolarHBondContact O-CB 3.37Å; A388-T391 PolarHBondContact O-N 3.02Å; A389-T391 VanDerWaalsContact C-N 3.27Å; A389-T391 PolarHBondContact O-N 3.26Å; T391-Y394 PolarHBondContact O-N 3.36Å; T391-A395 WeakPolarHBondContact O-CB 3.46Å; T391-A395 PolarHBondContact O-N 2.62Å; T391-L499 HydrophobicContact CG2-CD1 3.84Å; T391-L499 HydrophobicContact CG2-CD2 3.91Å; T391-L538 HydrophobicContact CG2-CD2 4.24Å; T391-I540 HydrophobicContact CG2-CD1 4.4Å
392A98.8Very high96.1Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-63.2-46.517300000112.1A388 A389 Y394 A395 Q396 V406 I408 F423 L499A388-A392 PolarHBondContact O-N 3.1Å; A389-A392 PolarHBondContact O-N 2.91Å; A392-Y394 PolarHBondContact O-N 2.85Å; A392-A395 WeakPolarHBondContact O-CB 3.39Å; A392-A395 PolarHBondContact O-N 2.96Å; A392-Q396 WeakPolarHBondContact O-CG 3.29Å; A392-Q396 PolarHBondContact O-N 2.85Å; A392-V406 HydrophobicContact CB-CB 4.26Å; A392-V406 HydrophobicContact CB-CG1 3.89Å; A392-V406 HydrophobicContact CB-CG2 4.35Å; A392-I408 HydrophobicContact CB-CD1 3.95Å; A392-I408 HydrophobicContact CB-CG1 4.46Å; A392-F423 HydrophobicContact CB-CZ 4.03Å; A392-L499 HydrophobicContact CB-CD1 3.93Å
393R98.6Very high95.7Very high57 Ų5738.2 Ų38.222%0.21519%0.19CC..Hα-helixtrans-65.7-37.4176.2-66.6-57.3-172.1-160.4-0.9112.5M300 A389 L390 Q396 K397 F423 D426M300-R393 HydrophobicContact CB-CB 3.92Å; M300-R393 HydrophobicContact CE-CB 4.34Å; M300-R393 HydrophobicContact SD-CB 4.37Å; A389-R393 PolarHBondContact O-N 3.33Å; L390-R393 PolarHBondContact O-N 3.05Å; R393-Q396 PolarHBondContact O-N 3.37Å; R393-K397 VanDerWaalsContact O-CB 3.28Å; R393-K397 WeakPolarHBondContact O-CB 3.5Å; R393-K397 PolarHBondContact O-N 2.91Å; R393-F423 HydrophobicContact CG-CE1 4.39Å; R393-F423 VanDerWaalsContact CZ-CE1 3.48Å; R393-D426 IonicContact CZ-OD2 3.47Å; R393-D426 IonicContact NH1-OD2 3.08Å; R393-D426 PolarHBondContact NH1-OD2 3.24Å; R393-D426 IonicContact NH2-OD2 2.73Å; R393-D426 PolarHBondContact NH2-OD2 3.18Å
394Y98.7Very high95.5Very high17 Ų1738.5 Ų38.57%0.06719%0.192CC..Hα-helixtrans-61.8-46.7173.4-172.8-95.9000111.5R291 E297 M300 F349 D353 L390 T391 A392 K397 N398R291-Y394 PolarHBondContact NH2-OH 3.04Å; E297-Y394 HydrophobicContact CG-CD2 4.45Å; E297-Y394 HydrophobicContact CG-CE2 4.49Å; E297-Y394 WeakPolarHBondContact OE1-CE2 3.41Å; M300-Y394 HydrophobicContact CE-CD2 4.09Å; M300-Y394 HydrophobicContact CE-CG 4.43Å; F349-Y394 HydrophobicContact CB-CD1 3.73Å; F349-Y394 HydrophobicContact CB-CD2 4.25Å; F349-Y394 HydrophobicContact CB-CE1 3.62Å; F349-Y394 HydrophobicContact CB-CE2 4.16Å; F349-Y394 HydrophobicContact CB-CG 4.04Å; F349-Y394 HydrophobicContact CD1-CD1 4.04Å; F349-Y394 HydrophobicContact CD1-CD2 4.21Å; F349-Y394 AromaticContact CD1-CG 3.72Å; F349-Y394 HydrophobicContact CD1-CG 3.72Å; F349-Y394 AromaticContact CD2-CD2 3.87Å; F349-Y394 HydrophobicContact CD2-CD2 3.87Å; F349-Y394 HydrophobicContact CD2-CE2 4.09Å; F349-Y394 HydrophobicContact CD2-CG 4.21Å; F349-Y394 HydrophobicContact CE1-CG 4.26Å; F349-Y394 HydrophobicContact CE2-CD2 4.28Å; F349-Y394 AromaticContact CG-CD1 3.92Å; F349-Y394 HydrophobicContact CG-CD1 3.92Å; F349-Y394 AromaticContact CG-CD2 3.84Å; F349-Y394 HydrophobicContact CG-CD2 3.84Å; F349-Y394 HydrophobicContact CG-CE1 4.22Å; F349-Y394 HydrophobicContact CG-CE2 4.17Å; F349-Y394 AromaticContact CG-CG 3.71Å; F349-Y394 HydrophobicContact CG-CG 3.71Å; D353-Y394 VanDerWaalsContact OD1-CE1 3.3Å; D353-Y394 WeakPolarHBondContact OD1-CE1 3.38Å; D353-Y394 WeakPolarHBondContact OD2-CE1 3.26Å; D353-Y394 PolarHBondContact OD2-OH 3.03Å; L390-Y394 VanDerWaalsContact O-CB 3.26Å; L390-Y394 WeakPolarHBondContact O-CB 3.41Å; L390-Y394 PolarHBondContact O-N 3.21Å; T391-Y394 PolarHBondContact O-N 3.36Å; A392-Y394 PolarHBondContact O-N 2.85Å; Y394-K397 PolarHBondContact O-N 2.66Å; Y394-N398 VanDerWaalsContact CD2-ND2 3.3Å; Y394-N398 WeakPolarHBondContact CD2-ND2 3.28Å; Y394-N398 WeakPolarHBondContact CE2-ND2 3.3Å; Y394-N398 PolarHBondContact O-N 3.32Å; Y394-N398 PolarHBondContact O-ND2 3.39Å
395A98.4Very high95.5Very high0 Ų040.9 Ų40.90%020%0.201CC..Hα-helixtrans-57.1-52.5175.900000111.1V352 L356 T391 A392 K397 N398 S399 L404 L497V352-A395 HydrophobicContact CG1-CB 3.77Å; L356-A395 HydrophobicContact CD1-CB 4.09Å; T391-A395 WeakPolarHBondContact O-CB 3.46Å; T391-A395 PolarHBondContact O-N 2.62Å; A392-A395 WeakPolarHBondContact O-CB 3.39Å; A392-A395 PolarHBondContact O-N 2.96Å; A395-K397 VanDerWaalsContact C-N 3.28Å; A395-K397 PolarHBondContact O-N 3.34Å; A395-N398 PolarHBondContact O-N 3.34Å; A395-S399 WeakPolarHBondContact O-CB 3.27Å; A395-S399 PolarHBondContact O-N 3.36Å; A395-L404 HydrophobicContact CB-CD2 3.77Å; A395-L497 HydrophobicContact CB-CD2 3.57Å
396Q98Very high95.5Very high42 Ų4240.8 Ų40.820%0.19620%0.2CC..Hα-helixtrans-59.9-36.1179.8-71.8-178.7-3200113A392 R393 L404 V406 S428A392-Q396 WeakPolarHBondContact O-CG 3.29Å; A392-Q396 PolarHBondContact O-N 2.85Å; R393-Q396 PolarHBondContact O-N 3.37Å; Q396-L404 PolarHBondContact NE2-O 2.95Å; Q396-V406 HydrophobicContact CG-CG2 4.15Å; Q396-S428 VanDerWaalsContact NE2-CB 3.31Å; Q396-S428 PolarHBondContact NE2-OG 3.14Å
397K96.4Very high95.5Very high129 Ų12940.8 Ų40.856%0.56120%0.2SC*.Hα-helixtrans-74.3-35.7-179.4-178.5-178.8175.1-172.50113.6M300 R393 Y394 A395M300-K397 HydrophobicContact SD-CD 3.58Å; M300-K397 VanDerWaalsContact SD-CD 3.58Å; R393-K397 VanDerWaalsContact O-CB 3.28Å; R393-K397 WeakPolarHBondContact O-CB 3.5Å; R393-K397 PolarHBondContact O-N 2.91Å; Y394-K397 PolarHBondContact O-N 2.66Å; A395-K397 VanDerWaalsContact C-N 3.28Å; A395-K397 PolarHBondContact O-N 3.34Å
398N93.4Very high95.5Very high72 Ų7240.6 Ų40.639%0.38520%0.199SC..Hα-helixtrans-103.5-10.8-173.5-61.7-73.3000113.9Y394 A395Y394-N398 VanDerWaalsContact CD2-ND2 3.3Å; Y394-N398 WeakPolarHBondContact CD2-ND2 3.28Å; Y394-N398 WeakPolarHBondContact CE2-ND2 3.3Å; Y394-N398 PolarHBondContact O-N 3.32Å; Y394-N398 PolarHBondContact O-ND2 3.39Å; A395-N398 PolarHBondContact O-N 3.34Å
399S91.3Very high95.5Very high27 Ų2740.6 Ų40.619%0.18920%0.199CC..  trans-61.3147.3175-179.10000113A395 D401A395-S399 WeakPolarHBondContact O-CB 3.27Å; A395-S399 PolarHBondContact O-N 3.36Å; S399-D401 VanDerWaalsContact C-N 3.27Å; S399-D401 PolarHBondContact OG-N 2.91Å; S399-D401 PolarHBondContact OG-O 2.91Å
400H86.9Confident95.5Very high190 Ų19040.6 Ų40.688%0.8820%0.199SC*.SBendtrans-76.5-14.4166.6-63.2-40.9000113.2P402H400-P402 WeakPolarHBondContact O-CD 3.3Å
401D87.1Confident95.5Very high45 Ų4540.6 Ų40.624%0.24120%0.199CC..  trans-92.2109.6170.5178.59.6000110.3S399 Q403 L404S399-D401 VanDerWaalsContact C-N 3.27Å; S399-D401 PolarHBondContact OG-N 2.91Å; S399-D401 PolarHBondContact OG-O 2.91Å; D401-Q403 PolarHBondContact O-N 2.95Å; D401-Q403 WeakPolarHBondContact OD1-CA 3.25Å; D401-Q403 PolarHBondContact OD1-N 3.19Å; D401-L404 HydrophobicContact CB-CB 4.46Å; D401-L404 PolarHBondContact O-N 3.4Å
402P82.6Confident95.5Very high119 Ų11940.6 Ų40.677%0.77320%0.199SC*.THydrogen-bonded Turntrans-73.1-3.4178.833.2-37.2000113.7H400H400-P402 WeakPolarHBondContact O-CD 3.3Å
403Q89.3Confident95.5Very high97 Ų9740.6 Ų40.645%0.45320%0.199SC..THydrogen-bonded Turntrans-115.722176.1-61.1-175.35.700112D401 R405D401-Q403 PolarHBondContact O-N 2.95Å; D401-Q403 WeakPolarHBondContact OD1-CA 3.25Å; D401-Q403 PolarHBondContact OD1-N 3.19Å; Q403-R405 PolarHBondContact O-N 3.37Å
404L95.7Very high95.5Very high7 Ų738.5 Ų38.54%0.03719%0.192CC..  trans-53.1107.5-176.918067.3000111.5L356 A395 Q396 D401 V406 L497L356-L404 HydrophobicContact CD1-CD2 4.31Å; L356-L404 HydrophobicContact CD2-CD2 4.37Å; A395-L404 HydrophobicContact CB-CD2 3.77Å; Q396-L404 PolarHBondContact NE2-O 2.95Å; D401-L404 HydrophobicContact CB-CB 4.46Å; D401-L404 PolarHBondContact O-N 3.4Å; L404-V406 HydrophobicContact CD2-CG2 4.34Å; L404-V406 HydrophobicContact CG-CG2 4.24Å; L404-L497 HydrophobicContact CD1-CB 4.41Å
405R98.1Very high95.5Very high50 Ų5037.8 Ų37.819%0.18919%0.189CC..  trans-79129.7170.7-76-172.2-55.7-75.43.2110.3S229 Q403 S428 F493 N494 G496 L497S229-R405 PolarHBondContact OG-NH1 3Å; S229-R405 PolarHBondContact OG-NH2 3.24Å; Q403-R405 PolarHBondContact O-N 3.37Å; R405-S428 VanDerWaalsContact CA-O 3.31Å; R405-S428 WeakPolarHBondContact CA-O 3.46Å; R405-F493 HydrophobicContact CB-CE1 3.83Å; R405-F493 HydrophobicContact CB-CE2 4.26Å; R405-F493 HydrophobicContact CB-CZ 3.62Å; R405-F493 WeakPolarHBondContact CD-O 3.26Å; R405-F493 HydrophobicContact CG-CE2 4.05Å; R405-F493 HydrophobicContact CG-CZ 3.88Å; R405-F493 PolarHBondContact NE-O 3.36Å; R405-N494 VanDerWaalsContact CZ-O 3.3Å; R405-N494 PolarHBondContact NE-O 3.5Å; R405-N494 VanDerWaalsContact NE-O 3.1Å; R405-N494 PolarHBondContact NH2-O 2.88Å; R405-G496 PolarHBondContact O-N 2.92Å; R405-L497 PolarHBondContact O-N 3.42Å
406V98.9Very high95.5Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-115.4126.2177.5-172.50000109.3A392 Q396 L404 I408 S428 V429 L430 L497 L499A392-V406 HydrophobicContact CB-CB 4.26Å; A392-V406 HydrophobicContact CB-CG1 3.89Å; A392-V406 HydrophobicContact CB-CG2 4.35Å; Q396-V406 HydrophobicContact CG-CG2 4.15Å; L404-V406 HydrophobicContact CD2-CG2 4.34Å; L404-V406 HydrophobicContact CG-CG2 4.24Å; V406-I408 HydrophobicContact CG1-CG1 4.26Å; V406-S428 PolarHBondContact N-O 3.12Å; V406-V429 HydrophobicContact CB-CG2 4.34Å; V406-V429 CarbonylContact O-C 3.45Å; V406-V429 VanDerWaalsContact O-CA 3.28Å; V406-V429 WeakPolarHBondContact O-CA 3.16Å; V406-L430 PolarHBondContact O-N 3.08Å; V406-L497 WeakPolarHBondContact CA-O 3.45Å; V406-L499 HydrophobicContact CG1-CD1 3.94Å; V406-L499 HydrophobicContact CG1-CG 3.91Å
407L98.9Very high95.6Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-88.9125.7163.416762.2000107.5L430 I432 A490 P495 L497 V498 L499 L532L407-L430 WeakPolarHBondContact CA-O 3.4Å; L407-L430 HydrophobicContact CD1-CB 4.35Å; L407-L430 HydrophobicContact CD1-CD2 3.86Å; L407-L430 HydrophobicContact CD1-CG 3.82Å; L407-I432 HydrophobicContact CD1-CD1 4.04Å; L407-I432 HydrophobicContact CD1-CG1 4.02Å; L407-A490 HydrophobicContact CD2-CB 3.75Å; L407-P495 HydrophobicContact CB-CB 3.83Å; L407-P495 HydrophobicContact CB-CG 3.99Å; L407-P495 HydrophobicContact CD2-CG 4.48Å; L407-L497 PolarHBondContact N-O 2.77Å; L407-V498 HydrophobicContact CB-CG2 4.35Å; L407-V498 HydrophobicContact CD2-CG1 4.04Å; L407-V498 HydrophobicContact CD2-CG2 4.16Å; L407-V498 HydrophobicContact CG-CG1 4.27Å; L407-L499 PolarHBondContact O-N 3.25Å; L407-L532 HydrophobicContact CD2-CD1 4.08Å
408I98.9Very high95.7Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-106.7111.8162.9-54.2177.2000107A388 A392 V406 T419 F423 V429 L430 Y431 I432 L499A388-I408 HydrophobicContact CB-CG2 4.31Å; A392-I408 HydrophobicContact CB-CD1 3.95Å; A392-I408 HydrophobicContact CB-CG1 4.46Å; V406-I408 HydrophobicContact CG1-CG1 4.26Å; I408-T419 HydrophobicContact CD1-CG2 3.96Å; I408-T419 HydrophobicContact CG2-CG2 4.04Å; I408-F423 HydrophobicContact CD1-CD2 4.04Å; I408-F423 HydrophobicContact CD1-CE2 3.45Å; I408-F423 VanDerWaalsContact CD1-CE2 3.45Å; I408-F423 HydrophobicContact CD1-CZ 4.05Å; I408-V429 HydrophobicContact CD1-CG1 3.84Å; I408-V429 HydrophobicContact CG1-CG1 3.97Å; I408-L430 PolarHBondContact N-O 3.04Å; I408-Y431 HydrophobicContact CB-CD2 4.14Å; I408-Y431 HydrophobicContact CG2-CD2 4.05Å; I408-Y431 HydrophobicContact CG2-CE2 4.32Å; I408-Y431 WeakPolarHBondContact O-CA 3.33Å; I408-I432 PolarHBondContact O-N 3.03Å; I408-L499 WeakPolarHBondContact CA-O 3.34Å; I408-L499 HydrophobicContact CG1-CB 4.38Å; I408-L499 HydrophobicContact CG1-CD1 4.38Å
409L98.9Very high95.9Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-101.4126.2173-177.270.2000109.5W411 I432 L434 F482 V486 L499 V500 S501 L529L409-W411 HydrophobicContact CD2-CE3 4.43Å; L409-I432 CarbonylContact C-O 3.13Å; L409-I432 WeakPolarHBondContact CA-O 3.39Å; L409-I432 HydrophobicContact CD1-CB 3.72Å; L409-I432 HydrophobicContact CD1-CG2 3.76Å; L409-L434 HydrophobicContact CD1-CD1 3.76Å; L409-F482 HydrophobicContact CD2-CE1 4.05Å; L409-F482 HydrophobicContact CD2-CE2 4.47Å; L409-F482 HydrophobicContact CD2-CZ 3.6Å; L409-V486 HydrophobicContact CD1-CG1 3.57Å; L409-V486 HydrophobicContact CD2-CG1 4.29Å; L409-L499 PolarHBondContact N-O 3.32Å; L409-V500 CarbonylContact O-C 3.52Å; L409-V500 VanDerWaalsContact O-CA 3.3Å; L409-V500 WeakPolarHBondContact O-CA 3.36Å; L409-S501 PolarHBondContact O-N 2.87Å; L409-L529 HydrophobicContact CD2-CD1 3.4Å; L409-L529 HydrophobicContact CD2-CD2 3.67Å; L409-L529 HydrophobicContact CD2-CG 4.1Å
410D98.9Very high96.3Very high0 Ų025.5 Ų25.50%013%0.129CC..EExtended strand (participates in β ladder)trans-111.9111.8178.1-160-12.7000109.8H372 D412 Y431 I432 S433 L434 S501H372-D410 IonicContact CG-OD2 3.21Å; H372-D410 IonicContact ND1-OD1 2.75Å; H372-D410 IonicContact ND1-OD2 2.66Å; H372-D410 PolarHBondContact ND1-OD2 3.33Å; D410-D412 WeakPolarHBondContact OD1-CB 3.34Å; D410-D412 PolarHBondContact OD1-N 3.48Å; D410-Y431 HydrophobicContact CB-CE2 3.7Å; D410-Y431 PolarHBondContact OD2-OH 2.7Å; D410-I432 PolarHBondContact N-O 3.49Å; D410-S433 CarbonylContact O-C 3.46Å; D410-S433 WeakPolarHBondContact O-CA 3.41Å; D410-L434 PolarHBondContact O-N 2.94Å; D410-S501 WeakPolarHBondContact OD1-CB 3.33Å
411W98.8Very high96.9Very high0 Ų019.8 Ų19.80%010%0.102CC..  trans-109.45.8175.870.234.8000112.6L409 F482 V500 S501 A502 G503 F504 Y522 L525 T526 L529L409-W411 HydrophobicContact CD2-CE3 4.43Å; W411-F482 HydrophobicContact CE3-CZ 4.37Å; W411-V500 HydrophobicContact CD2-CG1 3.69Å; W411-V500 HydrophobicContact CE3-CG1 3.73Å; W411-V500 HydrophobicContact CG-CG1 4.38Å; W411-V500 HydrophobicContact CH2-CG1 3.86Å; W411-V500 HydrophobicContact CZ2-CG1 3.84Å; W411-V500 HydrophobicContact CZ3-CG1 3.82Å; W411-S501 PolarHBondContact N-O 3.45Å; W411-A502 HydrophobicContact CZ2-CB 4.01Å; W411-A502 VanDerWaalsContact NE1-CA 3.3Å; W411-G503 PolarHBondContact NE1-O 3.15Å; W411-F504 HydrophobicContact CZ2-CE1 4.11Å; W411-F504 HydrophobicContact CZ2-CZ 4.33Å; W411-F504 AromaticContact NE1-CE1 3.99Å; W411-Y522 AromaticContact CD1-CE1 3.58Å; W411-Y522 AromaticContact CD2-CD1 3.99Å; W411-Y522 HydrophobicContact CD2-CD1 3.99Å; W411-Y522 HydrophobicContact CD2-CE1 4.04Å; W411-Y522 AromaticContact CE2-CD1 3.61Å; W411-Y522 AromaticContact CE2-CE1 3.79Å; W411-Y522 HydrophobicContact CG-CD1 4.38Å; W411-Y522 AromaticContact CG-CE1 3.93Å; W411-Y522 HydrophobicContact CG-CE1 3.93Å; W411-Y522 HydrophobicContact CH2-CD1 4.45Å; W411-Y522 AromaticContact CZ2-CD1 3.88Å; W411-Y522 HydrophobicContact CZ2-CD1 3.88Å; W411-Y522 HydrophobicContact CZ2-CE1 4.48Å; W411-Y522 AromaticContact NE1-CD1 3.72Å; W411-Y522 AromaticContact NE1-CE1 3.43Å; W411-L525 HydrophobicContact CE3-CB 3.99Å; W411-L525 HydrophobicContact CE3-CD1 4.03Å; W411-L525 HydrophobicContact CZ3-CB 3.71Å; W411-T526 WeakPolarHBondContact CH2-OG1 3.27Å; W411-L529 HydrophobicContact CZ3-CD1 4.04Å
412D98.8Very high97.4Very high0 Ų018.8 Ų18.80%010%0.097CC..SBendtrans-56145.7165.3-165.5-72000109.2H372 D410 H414 G503 G543H372-D412 IonicContact CE1-OD1 3.71Å; H372-D412 PolarHBondContact CE1-OD1 3.28Å; H372-D412 IonicContact CE1-OD2 2.74Å; H372-D412 IonicContact NE2-OD1 3.12Å; H372-D412 IonicContact NE2-OD2 3.38Å; D410-D412 WeakPolarHBondContact OD1-CB 3.34Å; D410-D412 PolarHBondContact OD1-N 3.48Å; D412-H414 PolarHBondContact O-N 2.93Å; D412-H414 WeakPolarHBondContact OD1-CB 3.47Å; D412-H414 IonicContact OD1-CG 3.72Å; D412-H414 PolarHBondContact OD1-N 3.02Å; D412-H414 IonicContact OD1-ND1 3.97Å; D412-H414 PolarHBondContact OD1-ND1 2.6Å; D412-G503 WeakPolarHBondContact OD2-CA 3.33Å; D412-G543 WeakPolarHBondContact OD2-CA 3.32Å; D412-G543 PolarHBondContact OD2-N 3.35Å
413I98.5Very high98.2Very high0 Ų013.4 Ų13.40%06%0.061CC..SBendtrans-71.4-15.8-177.7-150.4-168.9000112.3H435 R436 F442 D505 A506 G513 Y515I413-H435 CarbonylContact O-C 3.52Å; I413-H435 VanDerWaalsContact O-CA 3.31Å; I413-H435 WeakPolarHBondContact O-CA 3.45Å; I413-H435 WeakPolarHBondContact O-CB 3.17Å; I413-R436 HydrophobicContact CD1-CB 3.89Å; I413-R436 HydrophobicContact CG1-CB 3.79Å; I413-R436 PolarHBondContact O-N 2.95Å; I413-F442 HydrophobicContact CG2-CE1 4.22Å; I413-D505 HydrophobicContact CG2-CB 3.94Å; I413-D505 PolarHBondContact N-OD1 2.91Å; I413-A506 HydrophobicContact CB-CB 3.89Å; I413-A506 HydrophobicContact CG1-CB 3.98Å; I413-G513 VanDerWaalsContact CD1-C 3.44Å; I413-G513 VanDerWaalsContact CD1-O 3.25Å; I413-G513 WeakPolarHBondContact CD1-O 3.49Å; I413-Y515 HydrophobicContact CD1-CD1 3.99Å; I413-Y515 HydrophobicContact CD1-CD2 3.67Å; I413-Y515 HydrophobicContact CD1-CE1 4.46Å; I413-Y515 HydrophobicContact CD1-CE2 4.15Å; I413-Y515 HydrophobicContact CD1-CG 3.58Å; I413-Y515 HydrophobicContact CG1-CD2 3.95Å; I413-Y515 HydrophobicContact CG1-CE2 4.27Å; I413-Y515 HydrophobicContact CG1-CG 4.36Å
414H98.8Very high98.6Very high13 Ų1311 Ų116%0.065%0.05CC..SBendtrans-95.3146175.3-48.288.7000111.1H373 D412 G416 F442 F443 D505H373-H414 VanDerWaalsContact CE1-CB 3.49Å; H373-H414 WeakPolarHBondContact CE1-CB 3.41Å; H373-H414 WeakPolarHBondContact NE2-CB 3.34Å; H373-H414 AromaticContact NE2-CG 3.96Å; D412-H414 PolarHBondContact O-N 2.93Å; D412-H414 WeakPolarHBondContact OD1-CB 3.47Å; D412-H414 IonicContact OD1-CG 3.72Å; D412-H414 PolarHBondContact OD1-N 3.02Å; D412-H414 IonicContact OD1-ND1 3.97Å; D412-H414 PolarHBondContact OD1-ND1 2.6Å; H414-G416 PolarHBondContact O-N 2.88Å; H414-F442 AromaticContact CD2-CE1 3.4Å; H414-F442 VanDerWaalsContact CD2-CE1 3.4Å; H414-F442 WeakPolarHBondContact CD2-CE1 3.36Å; H414-F442 AromaticContact NE2-CE1 3.61Å; H414-F442 AromaticContact NE2-CZ 3.83Å; H414-F443 AromaticContact CD2-CD1 3.91Å; H414-D505 IonicContact CE1-OD2 3.75Å; H414-D505 PolarHBondContact CE1-OD2 3.27Å; H414-D505 VanDerWaalsContact CE1-OD2 3.28Å; H414-D505 IonicContact ND1-OD2 3.56Å; H414-D505 PolarHBondContact ND1-OD2 2.75Å
415H98.9Very high98.7Very high2 Ų214.7 Ų14.71%0.0097%0.07CC..  trans-69.2120.3172.9173.8-116.7000110.3H373 N417 Q420 H435 A449 N465H373-H415 PolarHBondContact CE1-O 3.24Å; H373-H415 PolarHBondContact ND1-O 2.85Å; H415-N417 PolarHBondContact O-N 2.81Å; H415-N417 PolarHBondContact O-OD1 2.9Å; H415-Q420 PolarHBondContact CE1-OE1 3.38Å; H415-Q420 PolarHBondContact NE2-OE1 3.23Å; H415-H435 HydrophobicContact CB-CB 4.2Å; H415-H435 AromaticContact CD2-CE1 3.56Å; H415-H435 AromaticContact CD2-ND1 3.66Å; H415-A449 HydrophobicContact CB-CB 3.71Å; H415-N465 PolarHBondContact NE2-OD1 2.87Å
416G98.8Very high98.6Very high0 Ų012.8 Ų12.80%06%0.063CC..  trans-71.768.4173.400000112.6H372 H414 G418 T419 Q420 Y431H372-G416 WeakPolarHBondContact ND1-CA 3.32Å; H372-G416 CarbonylContact O-C 3.57Å; H372-G416 WeakPolarHBondContact O-CA 3.14Å; H414-G416 PolarHBondContact O-N 2.88Å; G416-G418 VanDerWaalsContact C-N 3.27Å; G416-G418 PolarHBondContact O-N 2.78Å; G416-T419 WeakPolarHBondContact O-CA 3.49Å; G416-T419 WeakPolarHBondContact O-CB 3.34Å; G416-T419 PolarHBondContact O-N 2.91Å; G416-Q420 PolarHBondContact O-N 2.92Å; G416-Q420 VanDerWaalsContact O-N 3.08Å; G416-Y431 VanDerWaalsContact CA-OH 3.26Å; G416-Y431 WeakPolarHBondContact CA-OH 3.42Å; G416-Y431 PolarHBondContact N-OH 3.41Å; G416-Y431 PolarHBondContact O-OH 3.01Å
417N98.8Very high98.5Very high12 Ų1216.1 Ų16.16%0.0648%0.081CC..Hα-helixtrans-49.2-43.8-177.857.6-84.1000113.4H373 E375 H415 T419 Q420 H421 P444H373-N417 PolarHBondContact ND1-OD1 2.92Å; H373-N417 PolarHBondContact O-ND2 3.29Å; E375-N417 PolarHBondContact OE1-ND2 3.19Å; H415-N417 PolarHBondContact O-N 2.81Å; H415-N417 PolarHBondContact O-OD1 2.9Å; N417-T419 VanDerWaalsContact C-N 3.29Å; N417-T419 PolarHBondContact O-N 2.93Å; N417-Q420 PolarHBondContact O-N 2.98Å; N417-H421 VanDerWaalsContact O-CG 3.31Å; N417-H421 PolarHBondContact O-N 3.3Å; N417-H421 PolarHBondContact O-ND1 3.09Å; N417-H421 VanDerWaalsContact O-ND1 3.16Å; N417-P444 HydrophobicContact CB-CG 4.16Å
418G98.8Very high98.5Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-64.8-35.8179.800000112.1H372 G416 M422H372-G418 PolarHBondContact O-N 2.88Å; G416-G418 VanDerWaalsContact C-N 3.27Å; G416-G418 PolarHBondContact O-N 2.78Å; G418-M422 WeakPolarHBondContact O-CB 3.1Å; G418-M422 WeakPolarHBondContact O-CG 3.37Å; G418-M422 PolarHBondContact O-N 3Å; G418-M422 VanDerWaalsContact O-N 3.12Å
419T98.9Very high98.5Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-67.5-45.8175.1-46.90000110.9H372 N386 I408 G416 N417 M422 F423 Y431H372-T419 PolarHBondContact O-N 3.47Å; H372-T419 PolarHBondContact O-OG1 3.12Å; N386-T419 WeakPolarHBondContact ND2-CA 3.42Å; N386-T419 PolarHBondContact ND2-N 2.74Å; N386-T419 VanDerWaalsContact ND2-N 3.13Å; N386-T419 PolarHBondContact ND2-OG1 3.24Å; I408-T419 HydrophobicContact CD1-CG2 3.96Å; I408-T419 HydrophobicContact CG2-CG2 4.04Å; G416-T419 WeakPolarHBondContact O-CA 3.49Å; G416-T419 WeakPolarHBondContact O-CB 3.34Å; G416-T419 PolarHBondContact O-N 2.91Å; N417-T419 VanDerWaalsContact C-N 3.29Å; N417-T419 PolarHBondContact O-N 2.93Å; T419-M422 PolarHBondContact O-N 3.15Å; T419-F423 HydrophobicContact CG2-CD2 4.17Å; T419-F423 HydrophobicContact CG2-CE2 4.2Å; T419-F423 VanDerWaalsContact O-CD2 3.26Å; T419-F423 WeakPolarHBondContact O-CD2 3.41Å; T419-F423 PolarHBondContact O-N 3.43Å; T419-Y431 HydrophobicContact CG2-CD2 3.45Å; T419-Y431 VanDerWaalsContact CG2-CD2 3.45Å; T419-Y431 HydrophobicContact CG2-CE2 3.45Å; T419-Y431 VanDerWaalsContact CG2-CE2 3.45Å; T419-Y431 HydrophobicContact CG2-CG 4.3Å
420Q98.8Very high98.5Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-55.6-54.6174.3166.6162.6-40.700111H415 G416 N417 M422 F423 E424 Y431 D448 N463 N465H415-Q420 PolarHBondContact CE1-OE1 3.38Å; H415-Q420 PolarHBondContact NE2-OE1 3.23Å; G416-Q420 PolarHBondContact O-N 2.92Å; G416-Q420 VanDerWaalsContact O-N 3.08Å; N417-Q420 PolarHBondContact O-N 2.98Å; Q420-M422 VanDerWaalsContact C-N 3.28Å; Q420-M422 PolarHBondContact O-N 2.81Å; Q420-F423 CarbonylContact O-C 3.59Å; Q420-F423 PolarHBondContact O-N 3.37Å; Q420-F423 VanDerWaalsContact O-N 3.13Å; Q420-E424 WeakPolarHBondContact O-CA 3.28Å; Q420-E424 WeakPolarHBondContact O-CB 3.46Å; Q420-E424 PolarHBondContact O-N 3.46Å; Q420-Y431 HydrophobicContact CB-CD1 4.11Å; Q420-Y431 HydrophobicContact CB-CE1 4Å; Q420-D448 PolarHBondContact NE2-O 3.16Å; Q420-D448 PolarHBondContact OE1-O 2.95Å; Q420-N463 VanDerWaalsContact CG-OD1 3.26Å; Q420-N463 WeakPolarHBondContact CG-OD1 3.38Å; Q420-N463 PolarHBondContact OE1-ND2 3.37Å; Q420-N463 PolarHBondContact OE1-OD1 2.71Å; Q420-N465 PolarHBondContact OE1-ND2 2.95Å; Q420-N465 PolarHBondContact OE1-OD1 3.05Å
421H98.8Very high98.5Very high70 Ų7017.6 Ų17.632%0.3249%0.091SC..Hα-helixtrans-64.2-28-176.6-60.2143000114E375 N417 F423 D448E375-H421 IonicContact OE1-CE1 2.9Å; E375-H421 PolarHBondContact OE1-CE1 3.04Å; E375-H421 IonicContact OE1-CG 3.59Å; E375-H421 IonicContact OE1-ND1 3.29Å; E375-H421 PolarHBondContact OE1-ND1 3.28Å; E375-H421 IonicContact OE2-CG 2.74Å; E375-H421 IonicContact OE2-ND1 3.02Å; E375-H421 PolarHBondContact OE2-ND1 2.87Å; N417-H421 VanDerWaalsContact O-CG 3.31Å; N417-H421 PolarHBondContact O-N 3.3Å; N417-H421 PolarHBondContact O-ND1 3.09Å; N417-H421 VanDerWaalsContact O-ND1 3.16Å; H421-F423 VanDerWaalsContact C-N 3.3Å; H421-F423 PolarHBondContact O-N 2.89Å; H421-D448 IonicContact NE2-OD2 2.82Å
422M98.5Very high98.5Very high25 Ų2517.6 Ų17.612%0.1239%0.091CC..Hα-helixtrans-73.3-17.8176.9-76177.6-167.700114.7C301 H302 A374 N386 A389 G418 T419 Q420C301-M422 HydrophobicContact CB-CE 4.16Å; C301-M422 HydrophobicContact CB-SD 3.71Å; H302-M422 WeakPolarHBondContact NE2-CE 3.33Å; A374-M422 WeakPolarHBondContact O-CE 3.26Å; N386-M422 HydrophobicContact CB-CE 3.77Å; N386-M422 HydrophobicContact CB-SD 3.81Å; A389-M422 HydrophobicContact CB-CB 4.41Å; A389-M422 HydrophobicContact CB-SD 3.45Å; A389-M422 WeakPolarHBondContact CB-SD 3.35Å; G418-M422 WeakPolarHBondContact O-CB 3.1Å; G418-M422 WeakPolarHBondContact O-CG 3.37Å; G418-M422 PolarHBondContact O-N 3Å; G418-M422 VanDerWaalsContact O-N 3.12Å; T419-M422 PolarHBondContact O-N 3.15Å; Q420-M422 VanDerWaalsContact C-N 3.28Å; Q420-M422 PolarHBondContact O-N 2.81Å
423F98.8Very high98.5Very high6 Ų617.6 Ų17.63%0.0269%0.091CC..Hα-helixtrans-1315.9-177.9-55.7-69.5000113.8A389 A392 R393 I408 T419 Q420 H421 D425 D426 V429A389-F423 HydrophobicContact CB-CE2 3.43Å; A389-F423 VanDerWaalsContact CB-CE2 3.43Å; A389-F423 HydrophobicContact CB-CZ 3.68Å; A392-F423 HydrophobicContact CB-CZ 4.03Å; R393-F423 HydrophobicContact CG-CE1 4.39Å; R393-F423 VanDerWaalsContact CZ-CE1 3.48Å; I408-F423 HydrophobicContact CD1-CD2 4.04Å; I408-F423 HydrophobicContact CD1-CE2 3.45Å; I408-F423 VanDerWaalsContact CD1-CE2 3.45Å; I408-F423 HydrophobicContact CD1-CZ 4.05Å; T419-F423 HydrophobicContact CG2-CD2 4.17Å; T419-F423 HydrophobicContact CG2-CE2 4.2Å; T419-F423 VanDerWaalsContact O-CD2 3.26Å; T419-F423 WeakPolarHBondContact O-CD2 3.41Å; T419-F423 PolarHBondContact O-N 3.43Å; Q420-F423 CarbonylContact O-C 3.59Å; Q420-F423 PolarHBondContact O-N 3.37Å; Q420-F423 VanDerWaalsContact O-N 3.13Å; H421-F423 VanDerWaalsContact C-N 3.3Å; H421-F423 PolarHBondContact O-N 2.89Å; F423-D425 PolarHBondContact O-N 3.13Å; F423-D425 VanDerWaalsContact O-N 3.1Å; F423-D426 HydrophobicContact CB-CB 4.35Å; F423-D426 HydrophobicContact CD1-CB 4.41Å; F423-D426 PolarHBondContact O-N 2.93Å; F423-V429 HydrophobicContact CB-CB 4.23Å; F423-V429 HydrophobicContact CB-CG1 4.28Å; F423-V429 HydrophobicContact CD1-CB 3.6Å; F423-V429 HydrophobicContact CD1-CG1 3.86Å; F423-V429 HydrophobicContact CD1-CG2 3.59Å; F423-V429 HydrophobicContact CD2-CG1 3.91Å; F423-V429 HydrophobicContact CE1-CB 4.05Å; F423-V429 HydrophobicContact CE1-CG1 4.13Å; F423-V429 HydrophobicContact CE1-CG2 3.58Å; F423-V429 HydrophobicContact CE2-CG1 4.2Å; F423-V429 HydrophobicContact CG-CB 3.87Å; F423-V429 HydrophobicContact CG-CG1 3.75Å; F423-V429 HydrophobicContact CG-CG2 4.34Å; F423-V429 HydrophobicContact CZ-CG1 4.3Å; F423-V429 HydrophobicContact CZ-CG2 4.33Å
424E97.7Very high98.5Very high46 Ų4617.6 Ų17.622%0.2159%0.091CC..THydrogen-bonded Turntrans-57.3-32.8-173.9-159.7-175.8-156.500112.6Q420 V456Q420-E424 WeakPolarHBondContact O-CA 3.28Å; Q420-E424 WeakPolarHBondContact O-CB 3.46Å; Q420-E424 PolarHBondContact O-N 3.46Å; E424-V456 HydrophobicContact CB-CG2 4.39Å; E424-V456 HydrophobicContact CG-CG1 4.21Å; E424-V456 HydrophobicContact CG-CG2 4.06Å; E424-V456 PolarHBondContact O-N 2.81Å
425D97.8Very high98.5Very high84 Ų8417 Ų1745%0.4499%0.088SC..THydrogen-bonded Turntrans-97.12.3175.797.1-41.1000114.1F423 V456 K458 G459F423-D425 PolarHBondContact O-N 3.13Å; F423-D425 VanDerWaalsContact O-N 3.1Å; D425-V456 HydrophobicContact CB-CG2 3.88Å; D425-K458 WeakPolarHBondContact O-CE 3.36Å; D425-K458 WeakPolarHBondContact O-CG 3.38Å; D425-G459 PolarHBondContact O-N 2.94Å
426D97.5Very high98.5Very high10 Ų1020 Ų205%0.05310%0.1CC..  trans-103.4140.7-173.4-154.3-29000112.6R393 F423 S428 G459R393-D426 IonicContact CZ-OD2 3.47Å; R393-D426 IonicContact NH1-OD2 3.08Å; R393-D426 PolarHBondContact NH1-OD2 3.24Å; R393-D426 IonicContact NH2-OD2 2.73Å; R393-D426 PolarHBondContact NH2-OD2 3.18Å; F423-D426 HydrophobicContact CB-CB 4.35Å; F423-D426 HydrophobicContact CD1-CB 4.41Å; F423-D426 PolarHBondContact O-N 2.93Å; D426-S428 VanDerWaalsContact CG-OG 3.25Å; D426-S428 WeakPolarHBondContact OD1-CB 3.2Å; D426-S428 PolarHBondContact OD1-N 3.46Å; D426-S428 PolarHBondContact OD1-OG 3.36Å; D426-S428 PolarHBondContact OD2-OG 3.12Å; D426-G459 WeakPolarHBondContact O-CA 3.46Å
427N97Very high98.5Very high71 Ų7121.2 Ų21.238%0.3810%0.104SC..SBendtrans-113.8-0176.564.1-13.6000113.7V429 K458 F462N427-V429 VanDerWaalsContact C-N 3.33Å; N427-K458 WeakPolarHBondContact CB-O 3.34Å; N427-F462 HydrophobicContact CB-CD1 4.15Å; N427-F462 HydrophobicContact CB-CD2 3.83Å; N427-F462 HydrophobicContact CB-CE1 4.01Å; N427-F462 HydrophobicContact CB-CE2 3.69Å; N427-F462 HydrophobicContact CB-CG 4.08Å; N427-F462 HydrophobicContact CB-CZ 3.79Å; N427-F462 WeakPolarHBondContact O-CE1 3.07Å
428S97.9Very high98.4Very high30 Ų3021.9 Ų21.921%0.2111%0.108CC..SBendtrans-82.6-15.3168.768.10000112.5Q396 R405 V406 D426Q396-S428 VanDerWaalsContact NE2-CB 3.31Å; Q396-S428 PolarHBondContact NE2-OG 3.14Å; R405-S428 VanDerWaalsContact CA-O 3.31Å; R405-S428 WeakPolarHBondContact CA-O 3.46Å; V406-S428 PolarHBondContact N-O 3.12Å; D426-S428 VanDerWaalsContact CG-OG 3.25Å; D426-S428 WeakPolarHBondContact OD1-CB 3.2Å; D426-S428 PolarHBondContact OD1-N 3.46Å; D426-S428 PolarHBondContact OD1-OG 3.36Å; D426-S428 PolarHBondContact OD2-OG 3.12Å
429V98.8Very high98.2Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-123.2131.8174.9-177.40000108.5V406 I408 F423 N427V406-V429 HydrophobicContact CB-CG2 4.34Å; V406-V429 CarbonylContact O-C 3.45Å; V406-V429 VanDerWaalsContact O-CA 3.28Å; V406-V429 WeakPolarHBondContact O-CA 3.16Å; I408-V429 HydrophobicContact CD1-CG1 3.84Å; I408-V429 HydrophobicContact CG1-CG1 3.97Å; F423-V429 HydrophobicContact CB-CB 4.23Å; F423-V429 HydrophobicContact CB-CG1 4.28Å; F423-V429 HydrophobicContact CD1-CB 3.6Å; F423-V429 HydrophobicContact CD1-CG1 3.86Å; F423-V429 HydrophobicContact CD1-CG2 3.59Å; F423-V429 HydrophobicContact CD2-CG1 3.91Å; F423-V429 HydrophobicContact CE1-CB 4.05Å; F423-V429 HydrophobicContact CE1-CG1 4.13Å; F423-V429 HydrophobicContact CE1-CG2 3.58Å; F423-V429 HydrophobicContact CE2-CG1 4.2Å; F423-V429 HydrophobicContact CG-CB 3.87Å; F423-V429 HydrophobicContact CG-CG1 3.75Å; F423-V429 HydrophobicContact CG-CG2 4.34Å; F423-V429 HydrophobicContact CZ-CG1 4.3Å; F423-V429 HydrophobicContact CZ-CG2 4.33Å; N427-V429 VanDerWaalsContact C-N 3.33Å
430L98.9Very high98Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-104.6120.8171.116663000107.5V406 L407 I408 I432 F462 V464 I489 F493 W595V406-L430 PolarHBondContact O-N 3.08Å; L407-L430 WeakPolarHBondContact CA-O 3.4Å; L407-L430 HydrophobicContact CD1-CB 4.35Å; L407-L430 HydrophobicContact CD1-CD2 3.86Å; L407-L430 HydrophobicContact CD1-CG 3.82Å; I408-L430 PolarHBondContact N-O 3.04Å; L430-I432 HydrophobicContact CD1-CD1 4.36Å; L430-I432 HydrophobicContact CD1-CG1 3.97Å; L430-I432 HydrophobicContact CD2-CD1 4.14Å; L430-I432 HydrophobicContact CD2-CG1 4.43Å; L430-I432 HydrophobicContact CG-CD1 4.27Å; L430-I432 HydrophobicContact CG-CG1 4.01Å; L430-F462 WeakPolarHBondContact CA-O 3.18Å; L430-F462 WeakPolarHBondContact CD1-O 3.45Å; L430-V464 HydrophobicContact CD1-CG2 4.13Å; L430-I489 HydrophobicContact CD1-CG2 4.06Å; L430-I489 HydrophobicContact CD2-CG2 3.83Å; L430-F493 HydrophobicContact CB-CD1 3.73Å; L430-F493 HydrophobicContact CB-CD2 4.09Å; L430-F493 HydrophobicContact CB-CE1 3.49Å; L430-F493 VanDerWaalsContact CB-CE1 3.49Å; L430-F493 HydrophobicContact CB-CE2 3.86Å; L430-F493 HydrophobicContact CB-CG 4.02Å; L430-F493 HydrophobicContact CB-CZ 3.55Å; L430-F493 HydrophobicContact CD2-CB 3.65Å; L430-F493 HydrophobicContact CD2-CD1 3.54Å; L430-F493 HydrophobicContact CD2-CD2 4.26Å; L430-F493 HydrophobicContact CD2-CE1 4.19Å; L430-F493 HydrophobicContact CD2-CG 3.57Å; L430-F493 HydrophobicContact CG-CD1 4.3Å; L430-F493 HydrophobicContact CG-CE1 4.5Å; L430-F493 HydrophobicContact CG-CG 4.44Å; L430-W595 HydrophobicContact CD1-CZ2 4.29Å
431Y98.9Very high97.9Very high1 Ų133.6 Ų33.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-102.3129.5171.7-178.2-114000110I408 D410 G416 T419 Q420 S433 F462 N463 V464I408-Y431 HydrophobicContact CB-CD2 4.14Å; I408-Y431 HydrophobicContact CG2-CD2 4.05Å; I408-Y431 HydrophobicContact CG2-CE2 4.32Å; I408-Y431 WeakPolarHBondContact O-CA 3.33Å; D410-Y431 HydrophobicContact CB-CE2 3.7Å; D410-Y431 PolarHBondContact OD2-OH 2.7Å; G416-Y431 VanDerWaalsContact CA-OH 3.26Å; G416-Y431 WeakPolarHBondContact CA-OH 3.42Å; G416-Y431 PolarHBondContact N-OH 3.41Å; G416-Y431 PolarHBondContact O-OH 3.01Å; T419-Y431 HydrophobicContact CG2-CD2 3.45Å; T419-Y431 VanDerWaalsContact CG2-CD2 3.45Å; T419-Y431 HydrophobicContact CG2-CE2 3.45Å; T419-Y431 VanDerWaalsContact CG2-CE2 3.45Å; T419-Y431 HydrophobicContact CG2-CG 4.3Å; Q420-Y431 HydrophobicContact CB-CD1 4.11Å; Q420-Y431 HydrophobicContact CB-CE1 4Å; Y431-S433 WeakPolarHBondContact OH-CB 3.36Å; Y431-S433 PolarHBondContact OH-OG 2.82Å; Y431-F462 PolarHBondContact N-O 3.46Å; Y431-N463 WeakPolarHBondContact CD1-OD1 3.3Å; Y431-N463 CarbonylContact O-C 3.57Å; Y431-N463 WeakPolarHBondContact O-CA 3.39Å; Y431-V464 PolarHBondContact O-N 2.66Å
432I98.9Very high97.9Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-129.1128.9172.6-53.8-173.4000107.8L407 I408 L409 D410 L430 L434 V464 V486 I489L407-I432 HydrophobicContact CD1-CD1 4.04Å; L407-I432 HydrophobicContact CD1-CG1 4.02Å; I408-I432 PolarHBondContact O-N 3.03Å; L409-I432 CarbonylContact C-O 3.13Å; L409-I432 WeakPolarHBondContact CA-O 3.39Å; L409-I432 HydrophobicContact CD1-CB 3.72Å; L409-I432 HydrophobicContact CD1-CG2 3.76Å; D410-I432 PolarHBondContact N-O 3.49Å; L430-I432 HydrophobicContact CD1-CD1 4.36Å; L430-I432 HydrophobicContact CD1-CG1 3.97Å; L430-I432 HydrophobicContact CD2-CD1 4.14Å; L430-I432 HydrophobicContact CD2-CG1 4.43Å; L430-I432 HydrophobicContact CG-CD1 4.27Å; L430-I432 HydrophobicContact CG-CG1 4.01Å; I432-L434 HydrophobicContact CG2-CD1 4.5Å; I432-V464 CarbonylContact C-O 3.58Å; I432-V464 WeakPolarHBondContact CA-O 3.43Å; I432-V464 HydrophobicContact CB-CB 4.29Å; I432-V464 HydrophobicContact CG1-CB 3.97Å; I432-V464 HydrophobicContact CG1-CG2 4.02Å; I432-V464 HydrophobicContact CG2-CB 4.13Å; I432-V464 HydrophobicContact CG2-CG1 4.3Å; I432-V486 HydrophobicContact CD1-CG1 4.11Å; I432-V486 HydrophobicContact CG2-CG1 4.37Å; I432-V486 HydrophobicContact CG2-CG2 4.14Å; I432-I489 HydrophobicContact CD1-CB 4.36Å; I432-I489 HydrophobicContact CD1-CG2 4.16Å
433S98.9Very high97.9Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-129.1135.1-178.4-175.40000112.6D410 Y431 H435 V464 I466D410-S433 CarbonylContact O-C 3.46Å; D410-S433 WeakPolarHBondContact O-CA 3.41Å; Y431-S433 WeakPolarHBondContact OH-CB 3.36Å; Y431-S433 PolarHBondContact OH-OG 2.82Å; S433-H435 WeakPolarHBondContact CB-ND1 3.38Å; S433-H435 PolarHBondContact OG-ND1 3.31Å; S433-V464 PolarHBondContact N-O 3.48Å; S433-I466 PolarHBondContact O-N 2.83Å
434L98.9Very high97.8Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-117.283.9178.8-61.895.2000111L409 D410 I432 I466 W468 Y478 A481 F482 V486L409-L434 HydrophobicContact CD1-CD1 3.76Å; D410-L434 PolarHBondContact O-N 2.94Å; I432-L434 HydrophobicContact CG2-CD1 4.5Å; L434-I466 HydrophobicContact CD2-CD1 4.1Å; L434-I466 HydrophobicContact CG-CB 4.16Å; L434-I466 HydrophobicContact CG-CD1 4.04Å; L434-I466 HydrophobicContact CG-CG1 4.38Å; L434-W468 HydrophobicContact CD2-CZ2 4.2Å; L434-Y478 HydrophobicContact CB-CD1 4.39Å; L434-Y478 HydrophobicContact CB-CE1 3.76Å; L434-Y478 HydrophobicContact CD2-CD1 3.96Å; L434-Y478 HydrophobicContact CD2-CE1 4.18Å; L434-Y478 PolarHBondContact O-OH 3.39Å; L434-A481 HydrophobicContact CD2-CB 3.77Å; L434-F482 HydrophobicContact CD1-CE2 4.05Å; L434-F482 HydrophobicContact CD2-CD2 4.09Å; L434-F482 HydrophobicContact CD2-CE2 3.92Å; L434-V486 HydrophobicContact CD1-CG2 4.19Å; L434-V486 HydrophobicContact CD2-CG2 4.36Å
435H98.8Very high97.8Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-123153.6-167.552.1-99000112.9I413 H415 S433 Y437 A449 I466 A467 W468I413-H435 CarbonylContact O-C 3.52Å; I413-H435 VanDerWaalsContact O-CA 3.31Å; I413-H435 WeakPolarHBondContact O-CA 3.45Å; I413-H435 WeakPolarHBondContact O-CB 3.17Å; H415-H435 HydrophobicContact CB-CB 4.2Å; H415-H435 AromaticContact CD2-CE1 3.56Å; H415-H435 AromaticContact CD2-ND1 3.66Å; S433-H435 WeakPolarHBondContact CB-ND1 3.38Å; S433-H435 PolarHBondContact OG-ND1 3.31Å; H435-Y437 PolarHBondContact O-N 3.05Å; H435-A449 PolarHBondContact NE2-O 2.98Å; H435-I466 PolarHBondContact N-O 3.07Å; H435-A467 WeakPolarHBondContact NE2-CA 3.4Å; H435-W468 WeakPolarHBondContact O-CB 3.06Å; H435-W468 VanDerWaalsContact O-CD1 3.23Å; H435-W468 PolarHBondContact O-N 3.41Å
436R98.5Very high97.7Very high65 Ų6534.7 Ų34.725%0.24519%0.185CC..EExtended strand (participates in β ladder)trans-71.4122.5167.9-179173177.2-158.7-13.7109I413 D438 F442 G513 Y515I413-R436 HydrophobicContact CD1-CB 3.89Å; I413-R436 HydrophobicContact CG1-CB 3.79Å; I413-R436 PolarHBondContact O-N 2.95Å; R436-D438 IonicContact CZ-OD2 3.92Å; R436-D438 IonicContact NE-OD2 3.94Å; R436-D438 PolarHBondContact NE-OD2 2.82Å; R436-D438 IonicContact NH2-OD2 3.36Å; R436-D438 PolarHBondContact NH2-OD2 3.03Å; R436-F442 HydrophobicContact CB-CD1 3.76Å; R436-F442 HydrophobicContact CB-CE1 3.96Å; R436-F442 HydrophobicContact CB-CG 4.16Å; R436-F442 HydrophobicContact CG-CB 4.16Å; R436-F442 HydrophobicContact CG-CD1 3.88Å; R436-F442 HydrophobicContact CG-CD2 4.02Å; R436-F442 HydrophobicContact CG-CE1 4.25Å; R436-F442 HydrophobicContact CG-CE2 4.41Å; R436-F442 HydrophobicContact CG-CG 3.75Å; R436-F442 VanDerWaalsContact O-CD1 3.24Å; R436-F442 WeakPolarHBondContact O-CD1 3.34Å; R436-G513 PolarHBondContact NH1-O 2.84Å; R436-Y515 HydrophobicContact CB-CE1 4.48Å; R436-Y515 HydrophobicContact CB-CE2 4.2Å; R436-Y515 HydrophobicContact CG-CE1 4.21Å
437Y98.4Very high97.7Very high25 Ų2540.5 Ų40.510%0.09821%0.211CC..  trans-110.8-41.5-176.1-179.1-125.6000112.1H435 N439 G440 T441 F442 S446 A449 A450 A467 W468 N469H435-Y437 PolarHBondContact O-N 3.05Å; Y437-N439 PolarHBondContact O-N 2.96Å; Y437-N439 VanDerWaalsContact O-N 3.17Å; Y437-G440 VanDerWaalsContact CE2-N 3.31Å; Y437-G440 VanDerWaalsContact CZ-N 3.26Å; Y437-G440 PolarHBondContact O-N 3.01Å; Y437-T441 PolarHBondContact O-N 3.47Å; Y437-F442 PolarHBondContact O-N 2.97Å; Y437-S446 WeakPolarHBondContact CE2-O 3.31Å; Y437-A449 HydrophobicContact CD2-CB 3.63Å; Y437-A449 HydrophobicContact CE2-CB 3.8Å; Y437-A450 HydrophobicContact CE1-CB 4.3Å; Y437-A467 HydrophobicContact CD1-CB 3.89Å; Y437-A467 HydrophobicContact CG-CB 3.86Å; Y437-W468 WeakPolarHBondContact CB-O 3.41Å; Y437-W468 PolarHBondContact N-O 3.27Å; Y437-N469 VanDerWaalsContact CD1-OD1 3.24Å; Y437-N469 WeakPolarHBondContact CD1-OD1 3.44Å
438D96.1Very high97.8Very high27 Ų2739.1 Ų39.114%0.14420%0.204CC..G310 helixtrans42.449-176.2-70.3-21.1000112.8R436 G440 T441 F442 W468 N469 G470R436-D438 IonicContact CZ-OD2 3.92Å; R436-D438 IonicContact NE-OD2 3.94Å; R436-D438 PolarHBondContact NE-OD2 2.82Å; R436-D438 IonicContact NH2-OD2 3.36Å; R436-D438 PolarHBondContact NH2-OD2 3.03Å; D438-G440 VanDerWaalsContact C-N 3.31Å; D438-G440 PolarHBondContact O-N 2.87Å; D438-T441 WeakPolarHBondContact CB-OG1 3.35Å; D438-T441 WeakPolarHBondContact O-CB 3.31Å; D438-T441 PolarHBondContact O-N 3.32Å; D438-T441 VanDerWaalsContact O-N 3.16Å; D438-T441 PolarHBondContact O-OG1 2.8Å; D438-F442 HydrophobicContact CB-CB 4.43Å; D438-W468 PolarHBondContact N-O 3.31Å; D438-W468 VanDerWaalsContact N-O 3.17Å; D438-N469 PolarHBondContact N-OD1 2.97Å; D438-G470 PolarHBondContact OD1-N 2.76Å; D438-G470 VanDerWaalsContact OD1-N 3.1Å
439N95.1Very high97.8Very high127 Ų12737.8 Ų37.868%0.67920%0.195SC*.G310 helixtrans56.238.4-177.6-51.3-74.8000113.9Y437 T441 N469Y437-N439 PolarHBondContact O-N 2.96Å; Y437-N439 VanDerWaalsContact O-N 3.17Å; N439-T441 VanDerWaalsContact C-N 3.35Å; N439-N469 PolarHBondContact N-OD1 3.38Å; N439-N469 PolarHBondContact OD1-OD1 3.42Å
440G95.7Very high97.8Very high16 Ų1638.1 Ų38.117%0.16520%0.197CC..G310 helixtrans83.38.7-179.300000114.1Y437 D438 F445Y437-G440 VanDerWaalsContact CE2-N 3.31Å; Y437-G440 VanDerWaalsContact CZ-N 3.26Å; Y437-G440 PolarHBondContact O-N 3.01Å; D438-G440 VanDerWaalsContact C-N 3.31Å; D438-G440 PolarHBondContact O-N 2.87Å; G440-F445 WeakPolarHBondContact O-CA 3.45Å
441T96.8Very high97.7Very high102 Ų10238.2 Ų38.263%0.62620%0.198SC*.THydrogen-bonded Turntrans-96.7-5.2179.469.40000114.2Y437 D438 N439 F445Y437-T441 PolarHBondContact O-N 3.47Å; D438-T441 WeakPolarHBondContact CB-OG1 3.35Å; D438-T441 WeakPolarHBondContact O-CB 3.31Å; D438-T441 PolarHBondContact O-N 3.32Å; D438-T441 VanDerWaalsContact O-N 3.16Å; D438-T441 PolarHBondContact O-OG1 2.8Å; N439-T441 VanDerWaalsContact C-N 3.35Å; T441-F445 WeakPolarHBondContact O-CD1 3.26Å; T441-F445 VanDerWaalsContact O-CE1 3.24Å; T441-F445 WeakPolarHBondContact O-CE1 3.44Å
442F97.9Very high97.6Very high31 Ų3141.8 Ų41.814%0.13622%0.217CC..SBendtrans-94154.5168.9-159.2-106.7000111.2I413 H414 R436 Y437 D438 F445I413-F442 HydrophobicContact CG2-CE1 4.22Å; H414-F442 AromaticContact CD2-CE1 3.4Å; H414-F442 VanDerWaalsContact CD2-CE1 3.4Å; H414-F442 WeakPolarHBondContact CD2-CE1 3.36Å; H414-F442 AromaticContact NE2-CE1 3.61Å; H414-F442 AromaticContact NE2-CZ 3.83Å; R436-F442 HydrophobicContact CB-CD1 3.76Å; R436-F442 HydrophobicContact CB-CE1 3.96Å; R436-F442 HydrophobicContact CB-CG 4.16Å; R436-F442 HydrophobicContact CG-CB 4.16Å; R436-F442 HydrophobicContact CG-CD1 3.88Å; R436-F442 HydrophobicContact CG-CD2 4.02Å; R436-F442 HydrophobicContact CG-CE1 4.25Å; R436-F442 HydrophobicContact CG-CE2 4.41Å; R436-F442 HydrophobicContact CG-CG 3.75Å; R436-F442 VanDerWaalsContact O-CD1 3.24Å; R436-F442 WeakPolarHBondContact O-CD1 3.34Å; Y437-F442 PolarHBondContact O-N 2.97Å; D438-F442 HydrophobicContact CB-CB 4.43Å; F442-F445 WeakPolarHBondContact O-CA 3.34Å; F442-F445 PolarHBondContact O-N 3.07Å
443F97.7Very high97.6Very high27 Ų2745.6 Ų45.612%0.11823%0.232CC..THydrogen-bonded Turntrans-60.6134.4-179-177-93.1000110.7T329 H373 H414 F445T329-F443 HydrophobicContact CG2-CE2 3.81Å; H373-F443 AromaticContact CD2-CE1 3.88Å; H373-F443 AromaticContact CE1-CD1 3.9Å; H373-F443 AromaticContact CE1-CE1 3.56Å; H373-F443 AromaticContact ND1-CE1 3.95Å; H373-F443 AromaticContact NE2-CD1 3.85Å; H373-F443 AromaticContact NE2-CE1 3.45Å; H373-F443 WeakPolarHBondContact NE2-CE1 3.43Å; H414-F443 AromaticContact CD2-CD1 3.91Å; F443-F445 HydrophobicContact CB-CE2 4.3Å; F443-F445 HydrophobicContact CB-CZ 4.19Å; F443-F445 HydrophobicContact CD2-CD2 4.14Å; F443-F445 AromaticContact CD2-CE2 3.69Å; F443-F445 HydrophobicContact CD2-CE2 3.69Å; F443-F445 HydrophobicContact CD2-CZ 4.32Å; F443-F445 HydrophobicContact CG-CE2 4.49Å
444P97.6Very high97.6Very high28 Ų2846.5 Ų46.518%0.18224%0.237CC..THydrogen-bonded Turncis-90.21715.336.3-37.3000116.5N417 S446N417-P444 HydrophobicContact CB-CG 4.16Å; P444-S446 PolarHBondContact O-N 3.42Å
445F96.9Very high97.5Very high133 Ų13347 Ų4758%0.58324%0.242SC*.  trans63.729.7177.7-40.1-72.7000115.4G440 T441 F442 F443G440-F445 WeakPolarHBondContact O-CA 3.45Å; T441-F445 WeakPolarHBondContact O-CD1 3.26Å; T441-F445 VanDerWaalsContact O-CE1 3.24Å; T441-F445 WeakPolarHBondContact O-CE1 3.44Å; F442-F445 WeakPolarHBondContact O-CA 3.34Å; F442-F445 PolarHBondContact O-N 3.07Å; F443-F445 HydrophobicContact CB-CE2 4.3Å; F443-F445 HydrophobicContact CB-CZ 4.19Å; F443-F445 HydrophobicContact CD2-CD2 4.14Å; F443-F445 AromaticContact CD2-CE2 3.69Å; F443-F445 HydrophobicContact CD2-CE2 3.69Å; F443-F445 HydrophobicContact CD2-CZ 4.32Å; F443-F445 HydrophobicContact CG-CE2 4.49Å
446S97.1Very high97.4Very high36 Ų3650 Ų5025%0.25226%0.261SS..  trans-112.2144.7176.6-1700000113.1Y437 P444 D448 A449Y437-S446 WeakPolarHBondContact CE2-O 3.31Å; P444-S446 PolarHBondContact O-N 3.42Å; S446-D448 PolarHBondContact O-N 3.31Å; S446-D448 PolarHBondContact OG-N 3.42Å; S446-D448 VanDerWaalsContact OG-N 3.15Å; S446-D448 PolarHBondContact OG-OD2 3.42Å; S446-A449 PolarHBondContact O-N 3.03Å
447E97.8Very high97.3Very high131 Ų13151.1 Ų51.161%0.61228%0.284SS*.G310 helixtrans-66.7-8.6167.1-63-175.6175.100113.4A449 A450 R453E447-A449 PolarHBondContact O-N 2.8Å; E447-A450 WeakPolarHBondContact O-CB 3.49Å; E447-A450 PolarHBondContact O-N 3.43Å; E447-R453 WeakPolarHBondContact O-CG 3.29Å; E447-R453 PolarHBondContact O-NE 3.17Å; E447-R453 IonicContact OE2-NH2 3.72Å
448D98.1Very high97.1Very high42 Ų4255.3 Ų55.323%0.22530%0.302CS..G310 helixtrans-67.7-21.5175.6-56.6-42.7000112Q420 H421 S446 A450 R453 N465Q420-D448 PolarHBondContact NE2-O 3.16Å; Q420-D448 PolarHBondContact OE1-O 2.95Å; H421-D448 IonicContact NE2-OD2 2.82Å; S446-D448 PolarHBondContact O-N 3.31Å; S446-D448 PolarHBondContact OG-N 3.42Å; S446-D448 VanDerWaalsContact OG-N 3.15Å; S446-D448 PolarHBondContact OG-OD2 3.42Å; D448-A450 PolarHBondContact O-N 2.91Å; D448-R453 WeakPolarHBondContact O-CB 3.25Å; D448-R453 WeakPolarHBondContact O-CG 3.45Å; D448-N465 PolarHBondContact O-ND2 2.84Å
449A98.3Very high97.2Very high3 Ų354 Ų543%0.02530%0.295CS..G310 helixtrans-75.9-6.3170.800000113.3H415 H435 Y437 S446 E447 N465 A467H415-A449 HydrophobicContact CB-CB 3.71Å; H435-A449 PolarHBondContact NE2-O 2.98Å; Y437-A449 HydrophobicContact CD2-CB 3.63Å; Y437-A449 HydrophobicContact CE2-CB 3.8Å; S446-A449 PolarHBondContact O-N 3.03Å; E447-A449 PolarHBondContact O-N 2.8Å; A449-N465 WeakPolarHBondContact O-CB 3.4Å; A449-A467 WeakPolarHBondContact O-CB 3.37Å
450A98.3Very high97.3Very high6 Ų649.3 Ų49.35%0.0527%0.274CS..SBendtrans-68.5146.3-176.800000113Y437 E447 D448 D452 R453 N465Y437-A450 HydrophobicContact CE1-CB 4.3Å; E447-A450 WeakPolarHBondContact O-CB 3.49Å; E447-A450 PolarHBondContact O-N 3.43Å; D448-A450 PolarHBondContact O-N 2.91Å; A450-D452 PolarHBondContact O-N 3.28Å; A450-R453 HydrophobicContact CB-CG 4.22Å; A450-R453 VanDerWaalsContact O-CB 3.26Å; A450-R453 WeakPolarHBondContact O-CB 3.46Å; A450-R453 VanDerWaalsContact O-CG 3.31Å; A450-R453 WeakPolarHBondContact O-CG 3.5Å; A450-R453 PolarHBondContact O-N 3.34Å; A450-N465 PolarHBondContact O-ND2 2.86Å
451A97.3Very high97.4Very high2 Ų248.5 Ų48.52%0.01727%0.266CS..THydrogen-bonded Turntrans-62.7-8.8-179.500000116.2N465 A467 K586 V587 Q590A451-N465 WeakPolarHBondContact CA-O 3.19Å; A451-N465 VanDerWaalsContact CB-O 3.31Å; A451-N465 WeakPolarHBondContact CB-O 3.18Å; A451-A467 HydrophobicContact CB-CB 4.47Å; A451-K586 HydrophobicContact CB-CD 3.96Å; A451-K586 HydrophobicContact CB-CG 4.22Å; A451-V587 HydrophobicContact CB-CG2 3.9Å; A451-Q590 WeakPolarHBondContact O-CG 3.35Å
452D96.8Very high97.5Very high76 Ų7644.9 Ų44.941%0.40624%0.242SC..THydrogen-bonded Turntrans-91.9-1.7173.243.5-67.9000113.5A450 V454 K586A450-D452 PolarHBondContact O-N 3.28Å; D452-V454 VanDerWaalsContact C-N 3.34Å; D452-V454 PolarHBondContact O-N 3.24Å; D452-V454 VanDerWaalsContact O-N 3.11Å; D452-K586 IonicContact OD1-NZ 3.8Å; D452-K586 PolarHBondContact OD1-NZ 2.79Å
453R98.3Very high97.6Very high80 Ų8043.5 Ų43.530%0.30224%0.236SC..  trans-85.475.8174.1-55.6-73.8-178178.3-3.2109.8E447 D448 A450 G455 N463E447-R453 WeakPolarHBondContact O-CG 3.29Å; E447-R453 PolarHBondContact O-NE 3.17Å; E447-R453 IonicContact OE2-NH2 3.72Å; D448-R453 WeakPolarHBondContact O-CB 3.25Å; D448-R453 WeakPolarHBondContact O-CG 3.45Å; A450-R453 HydrophobicContact CB-CG 4.22Å; A450-R453 VanDerWaalsContact O-CB 3.26Å; A450-R453 WeakPolarHBondContact O-CB 3.46Å; A450-R453 VanDerWaalsContact O-CG 3.31Å; A450-R453 WeakPolarHBondContact O-CG 3.5Å; A450-R453 PolarHBondContact O-N 3.34Å; R453-G455 VanDerWaalsContact C-N 3.27Å; R453-G455 PolarHBondContact O-N 3.28Å; R453-N463 PolarHBondContact O-ND2 2.96Å
454V98.4Very high97.6Very high19 Ų1942.2 Ų42.212%0.11523%0.23CC..  trans-82.66.5-172.8-56.60000114.8D452 G461 N463 Q590 Y594D452-V454 VanDerWaalsContact C-N 3.34Å; D452-V454 PolarHBondContact O-N 3.24Å; D452-V454 VanDerWaalsContact O-N 3.11Å; V454-G461 WeakPolarHBondContact O-CA 3.38Å; V454-G461 PolarHBondContact O-N 3.36Å; V454-N463 CarbonylContact C-O 3.3Å; V454-N463 WeakPolarHBondContact CA-O 3.42Å; V454-Q590 HydrophobicContact CG1-CB 3.98Å; V454-Y594 HydrophobicContact CB-CE2 4.4Å; V454-Y594 HydrophobicContact CG2-CE2 4.17Å
455G97.9Very high97.7Very high10 Ų1040.9 Ų40.910%0.10322%0.222CC..  trans89.2168.5-169.100000112.8R453R453-G455 VanDerWaalsContact C-N 3.27Å; R453-G455 PolarHBondContact O-N 3.28Å
456V96.8Very high97.8Very high65 Ų6534.6 Ų34.639%0.39419%0.194SC..  trans-126.4162.2-170.7-57.70000112.9E424 D425 K458 G459 A460E424-V456 HydrophobicContact CB-CG2 4.39Å; E424-V456 HydrophobicContact CG-CG1 4.21Å; E424-V456 HydrophobicContact CG-CG2 4.06Å; E424-V456 PolarHBondContact O-N 2.81Å; D425-V456 HydrophobicContact CB-CG2 3.88Å; V456-K458 PolarHBondContact O-N 3.42Å; V456-K458 VanDerWaalsContact O-N 3.15Å; V456-G459 CarbonylContact O-C 3.59Å; V456-G459 WeakPolarHBondContact O-CA 3.46Å; V456-G459 PolarHBondContact O-N 3.42Å; V456-A460 PolarHBondContact O-N 2.8Å
457A96.3Very high97.8Very high88 Ų8833 Ų3373%0.72718%0.183SC*.G310 helixtrans49.2-117.8176.900000113.2
458K94.7Very high97.9Very high112 Ų11226.7 Ų26.749%0.48715%0.154SC..G310 helixtrans-77.3-22.817865.9177.9177.6164.10112.8D425 N427 V456 A460D425-K458 WeakPolarHBondContact O-CE 3.36Å; D425-K458 WeakPolarHBondContact O-CG 3.38Å; N427-K458 WeakPolarHBondContact CB-O 3.34Å; V456-K458 PolarHBondContact O-N 3.42Å; V456-K458 VanDerWaalsContact O-N 3.15Å; K458-A460 VanDerWaalsContact C-N 3.34Å
459G97.2Very high97.7Very high0 Ų026.4 Ų26.40%015%0.152CC..G310 helixtrans-83.71176.600000114.7D425 D426 V456 G461 F462D425-G459 PolarHBondContact O-N 2.94Å; D426-G459 WeakPolarHBondContact O-CA 3.46Å; V456-G459 CarbonylContact O-C 3.59Å; V456-G459 WeakPolarHBondContact O-CA 3.46Å; V456-G459 PolarHBondContact O-N 3.42Å; G459-G461 PolarHBondContact O-N 2.66Å; G459-F462 WeakPolarHBondContact O-CB 3.37Å; G459-F462 PolarHBondContact O-N 3.2Å
460A98Very high97.1Very high28 Ų2827.7 Ų27.723%0.23117%0.165CC..THydrogen-bonded Turntrans-59.8120.5174.600000111.4V456 K458 Y594V456-A460 PolarHBondContact O-N 2.8Å; K458-A460 VanDerWaalsContact C-N 3.34Å; A460-Y594 HydrophobicContact CB-CE1 4.06Å; A460-Y594 WeakPolarHBondContact O-CD1 3.5Å; A460-Y594 WeakPolarHBondContact O-CE1 3.5Å
461G97.9Very high96.4Very high0 Ų029.3 Ų29.30%018%0.182CC..THydrogen-bonded Turntrans103.5-21.7-171.200000114.2V454 G459 W595V454-G461 WeakPolarHBondContact O-CA 3.38Å; V454-G461 PolarHBondContact O-N 3.36Å; G459-G461 PolarHBondContact O-N 2.66Å; G461-W595 WeakPolarHBondContact O-CZ2 3.46Å; G461-W595 PolarHBondContact O-NE1 2.84Å
462F98.7Very high96.3Very high25 Ų2537.4 Ų37.411%0.1121%0.212CC..SBendtrans-96.96.2-171.6-62.3-101.3000114.2A224 N427 L430 Y431 G459 F493 W595A224-F462 HydrophobicContact CB-CZ 4.3Å; N427-F462 HydrophobicContact CB-CD1 4.15Å; N427-F462 HydrophobicContact CB-CD2 3.83Å; N427-F462 HydrophobicContact CB-CE1 4.01Å; N427-F462 HydrophobicContact CB-CE2 3.69Å; N427-F462 HydrophobicContact CB-CG 4.08Å; N427-F462 HydrophobicContact CB-CZ 3.79Å; N427-F462 WeakPolarHBondContact O-CE1 3.07Å; L430-F462 WeakPolarHBondContact CA-O 3.18Å; L430-F462 WeakPolarHBondContact CD1-O 3.45Å; Y431-F462 PolarHBondContact N-O 3.46Å; G459-F462 WeakPolarHBondContact O-CB 3.37Å; G459-F462 PolarHBondContact O-N 3.2Å; F462-F493 AromaticContact CD1-CD2 3.98Å; F462-F493 HydrophobicContact CD1-CD2 3.98Å; F462-F493 AromaticContact CD1-CE2 3.71Å; F462-F493 HydrophobicContact CD1-CE2 3.71Å; F462-F493 AromaticContact CE1-CD2 3.73Å; F462-F493 HydrophobicContact CE1-CD2 3.73Å; F462-F493 AromaticContact CE1-CE2 3.65Å; F462-F493 HydrophobicContact CE1-CE2 3.65Å; F462-W595 HydrophobicContact CD1-CH2 4.13Å; F462-W595 HydrophobicContact CD1-CZ2 4.23Å; F462-W595 AromaticContact CE1-CH2 3.88Å; F462-W595 HydrophobicContact CE1-CH2 3.88Å; F462-W595 HydrophobicContact CE1-CZ2 4.33Å; F462-W595 HydrophobicContact CG-CZ2 4.47Å; F462-W595 HydrophobicContact CZ-CH2 4.3Å
463N98.9Very high96.3Very high3 Ų333.8 Ų33.82%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-121.8117.8169.9-172.990.6000109.3Q420 Y431 R453 V454 H591Q420-N463 VanDerWaalsContact CG-OD1 3.26Å; Q420-N463 WeakPolarHBondContact CG-OD1 3.38Å; Q420-N463 PolarHBondContact OE1-ND2 3.37Å; Q420-N463 PolarHBondContact OE1-OD1 2.71Å; Y431-N463 WeakPolarHBondContact CD1-OD1 3.3Å; Y431-N463 CarbonylContact O-C 3.57Å; Y431-N463 WeakPolarHBondContact O-CA 3.39Å; R453-N463 PolarHBondContact O-ND2 2.96Å; V454-N463 CarbonylContact C-O 3.3Å; V454-N463 WeakPolarHBondContact CA-O 3.42Å; N463-H591 PolarHBondContact O-CE1 3.44Å
464V98.9Very high96.3Very high0 Ų030.4 Ų30.40%018%0.184CC..EExtended strand (participates in β ladder)trans-123.6110.1-172-172.80000110.7L430 Y431 I432 S433 V485 I489 V587L430-V464 HydrophobicContact CD1-CG2 4.13Å; Y431-V464 PolarHBondContact O-N 2.66Å; I432-V464 CarbonylContact C-O 3.58Å; I432-V464 WeakPolarHBondContact CA-O 3.43Å; I432-V464 HydrophobicContact CB-CB 4.29Å; I432-V464 HydrophobicContact CG1-CB 3.97Å; I432-V464 HydrophobicContact CG1-CG2 4.02Å; I432-V464 HydrophobicContact CG2-CB 4.13Å; I432-V464 HydrophobicContact CG2-CG1 4.3Å; S433-V464 PolarHBondContact N-O 3.48Å; V464-V485 HydrophobicContact CG1-CG1 4.02Å; V464-I489 HydrophobicContact CG1-CD1 3.99Å; V464-I489 HydrophobicContact CG2-CD1 3.85Å; V464-I489 HydrophobicContact CG2-CG2 4.45Å; V464-V587 HydrophobicContact CG1-CG1 3.79Å
465N98.9Very high96.3Very high0 Ų030.3 Ų30.30%018%0.182CC..EExtended strand (participates in β ladder)trans-103.3109.1179.8-75.3-27.7000112.1H415 Q420 D448 A449 A450 A451 A467 V587H415-N465 PolarHBondContact NE2-OD1 2.87Å; Q420-N465 PolarHBondContact OE1-ND2 2.95Å; Q420-N465 PolarHBondContact OE1-OD1 3.05Å; D448-N465 PolarHBondContact O-ND2 2.84Å; A449-N465 WeakPolarHBondContact O-CB 3.4Å; A450-N465 PolarHBondContact O-ND2 2.86Å; A451-N465 WeakPolarHBondContact CA-O 3.19Å; A451-N465 VanDerWaalsContact CB-O 3.31Å; A451-N465 WeakPolarHBondContact CB-O 3.18Å; N465-A467 VanDerWaalsContact C-N 3.3Å; N465-A467 PolarHBondContact O-N 3.09Å; N465-V587 WeakPolarHBondContact O-CG2 3.32Å
466I98.9Very high96.3Very high0 Ų030.2 Ų30.20%018%0.18CC..EExtended strand (participates in β ladder)trans-89.673.5172-47.3-169.2000108.6S433 L434 H435 W468 A481 V485 V486 T583 V587S433-I466 PolarHBondContact O-N 2.83Å; L434-I466 HydrophobicContact CD2-CD1 4.1Å; L434-I466 HydrophobicContact CG-CB 4.16Å; L434-I466 HydrophobicContact CG-CD1 4.04Å; L434-I466 HydrophobicContact CG-CG1 4.38Å; H435-I466 PolarHBondContact N-O 3.07Å; I466-W468 HydrophobicContact CG2-CD2 4.28Å; I466-W468 HydrophobicContact CG2-CE3 4.18Å; I466-W468 HydrophobicContact CG2-CH2 3.76Å; I466-W468 HydrophobicContact CG2-CZ2 3.81Å; I466-W468 HydrophobicContact CG2-CZ3 3.9Å; I466-W468 PolarHBondContact O-N 3.11Å; I466-A481 HydrophobicContact CD1-CB 3.9Å; I466-A481 HydrophobicContact CG2-CB 4.24Å; I466-V485 HydrophobicContact CD1-CB 3.96Å; I466-V485 HydrophobicContact CD1-CG1 3.79Å; I466-V485 HydrophobicContact CG1-CG1 4.43Å; I466-V486 HydrophobicContact CD1-CG2 3.92Å; I466-T583 HydrophobicContact CG2-CG2 4.05Å; I466-V587 HydrophobicContact CG1-CG1 4.46Å; I466-V587 HydrophobicContact CG1-CG2 4.35Å
467A98.4Very high96.4Very high2 Ų227.4 Ų27.42%0.01716%0.163CC..EExtended strand (participates in β ladder)trans-75.997.5-172.900000112.3H435 Y437 A449 A451 N465 N469 T583H435-A467 WeakPolarHBondContact NE2-CA 3.4Å; Y437-A467 HydrophobicContact CD1-CB 3.89Å; Y437-A467 HydrophobicContact CG-CB 3.86Å; A449-A467 WeakPolarHBondContact O-CB 3.37Å; A451-A467 HydrophobicContact CB-CB 4.47Å; N465-A467 VanDerWaalsContact C-N 3.3Å; N465-A467 PolarHBondContact O-N 3.09Å; A467-N469 PolarHBondContact O-ND2 2.7Å; A467-T583 WeakPolarHBondContact O-CG2 3.4Å; A467-T583 PolarHBondContact O-OG1 2.88Å
468W98.4Very high96.5Very high0 Ų023.2 Ų23.20%013%0.128CC..EExtended strand (participates in β ladder)trans-72.9131.8-177.8-56.6126.1000112.6L434 H435 Y437 D438 I466 M473 D477 Y478 A481 Y515 A580 T583 I584L434-W468 HydrophobicContact CD2-CZ2 4.2Å; H435-W468 WeakPolarHBondContact O-CB 3.06Å; H435-W468 VanDerWaalsContact O-CD1 3.23Å; H435-W468 PolarHBondContact O-N 3.41Å; Y437-W468 WeakPolarHBondContact CB-O 3.41Å; Y437-W468 PolarHBondContact N-O 3.27Å; D438-W468 PolarHBondContact N-O 3.31Å; D438-W468 VanDerWaalsContact N-O 3.17Å; I466-W468 HydrophobicContact CG2-CD2 4.28Å; I466-W468 HydrophobicContact CG2-CE3 4.18Å; I466-W468 HydrophobicContact CG2-CH2 3.76Å; I466-W468 HydrophobicContact CG2-CZ2 3.81Å; I466-W468 HydrophobicContact CG2-CZ3 3.9Å; I466-W468 PolarHBondContact O-N 3.11Å; W468-M473 HydrophobicContact CB-CE 3.96Å; W468-M473 HydrophobicContact CB-CG 4.12Å; W468-M473 HydrophobicContact CD2-CE 4.39Å; W468-M473 HydrophobicContact CD2-CG 4.01Å; W468-M473 HydrophobicContact CE3-CE 4.05Å; W468-M473 HydrophobicContact CE3-CG 4.37Å; W468-M473 HydrophobicContact CG-CE 4.42Å; W468-M473 HydrophobicContact CG-CG 3.94Å; W468-D477 HydrophobicContact CH2-CB 4.36Å; W468-Y478 HydrophobicContact CZ2-CD2 4.31Å; W468-Y478 HydrophobicContact CZ2-CE2 4.37Å; W468-Y478 AromaticContact NE1-CE2 3.57Å; W468-Y478 AromaticContact NE1-CZ 3.6Å; W468-A481 HydrophobicContact CH2-CB 3.74Å; W468-A481 HydrophobicContact CZ2-CB 3.98Å; W468-Y515 HydrophobicContact CB-CE2 4.11Å; W468-Y515 WeakPolarHBondContact CB-OH 3.08Å; W468-Y515 AromaticContact CD1-CE2 3.74Å; W468-Y515 HydrophobicContact CG-CE2 4.11Å; W468-A580 HydrophobicContact CE3-CB 4.09Å; W468-A580 HydrophobicContact CH2-CB 4.21Å; W468-A580 HydrophobicContact CZ3-CB 3.55Å; W468-T583 HydrophobicContact CE3-CG2 3.77Å; W468-T583 HydrophobicContact CZ3-CG2 4.11Å; W468-I584 HydrophobicContact CH2-CD1 4.21Å; W468-I584 HydrophobicContact CH2-CG1 4.2Å; W468-I584 HydrophobicContact CZ3-CD1 4.34Å; W468-I584 HydrophobicContact CZ3-CG1 4.12Å
469N94.7Very high96.7Very high36 Ų3618 Ų1819%0.19311%0.106CC..  trans-130.6108.4-176.2-67.1-72.6000111.6Y437 D438 N439 A467 C579Y437-N469 VanDerWaalsContact CD1-OD1 3.24Å; Y437-N469 WeakPolarHBondContact CD1-OD1 3.44Å; D438-N469 PolarHBondContact N-OD1 2.97Å; N439-N469 PolarHBondContact N-OD1 3.38Å; N439-N469 PolarHBondContact OD1-OD1 3.42Å; A467-N469 PolarHBondContact O-ND2 2.7Å; N469-C579 WeakPolarHBondContact O-CB 3.46Å
470G84.9Confident96.8Very high29 Ų2918.4 Ų18.430%0.29911%0.109SC..SBendtrans72.8148.4176.600000115.2D438 M473 C579D438-G470 PolarHBondContact OD1-N 2.76Å; D438-G470 VanDerWaalsContact OD1-N 3.1Å; G470-M473 WeakPolarHBondContact O-CE 3.26Å; G470-C579 WeakPolarHBondContact O-CB 3.37Å
471G85.1Confident96.8Very high40 Ų4017 Ų1741%0.41210%0.098SC..SBendtrans82.6-177.5-166.200000112.4
472R93.3Very high96.8Very high172 Ų17217 Ų1765%0.64910%0.098SC*.  trans-122.6106.6173.1-63.2-176.7-178.2-153.35.8107.1G514 Y515 Q516R472-G514 WeakPolarHBondContact CD-O 3.33Å; R472-G514 WeakPolarHBondContact CG-O 3.48Å; R472-Y515 HydrophobicContact CB-CD1 4.37Å; R472-Q516 HydrophobicContact CB-CG 4.3Å
473M98.1Very high96.8Very high0 Ų016.3 Ų16.30%09%0.094CC..  trans-75.6149.6-172.8-50.3-48.8-175.200110.9W468 G470 D477 Y478 Y515 Q516 H577 C579 A580W468-M473 HydrophobicContact CB-CE 3.96Å; W468-M473 HydrophobicContact CB-CG 4.12Å; W468-M473 HydrophobicContact CD2-CE 4.39Å; W468-M473 HydrophobicContact CD2-CG 4.01Å; W468-M473 HydrophobicContact CE3-CE 4.05Å; W468-M473 HydrophobicContact CE3-CG 4.37Å; W468-M473 HydrophobicContact CG-CE 4.42Å; W468-M473 HydrophobicContact CG-CG 3.94Å; G470-M473 WeakPolarHBondContact O-CE 3.26Å; M473-D477 VanDerWaalsContact CA-OD2 3.24Å; M473-D477 WeakPolarHBondContact CA-OD2 3.45Å; M473-D477 HydrophobicContact CB-CB 3.84Å; M473-D477 HydrophobicContact CG-CB 4.37Å; M473-D477 HydrophobicContact SD-CB 4.39Å; M473-Y478 HydrophobicContact CB-CD2 4.41Å; M473-Y478 HydrophobicContact CB-CE2 4.13Å; M473-Y515 HydrophobicContact CB-CD2 3.68Å; M473-Y515 HydrophobicContact CB-CE2 3.57Å; M473-Y515 HydrophobicContact CB-CG 4.3Å; M473-Y515 HydrophobicContact CG-CD2 4.12Å; M473-Y515 HydrophobicContact CG-CE1 4.39Å; M473-Y515 HydrophobicContact CG-CE2 3.47Å; M473-Y515 VanDerWaalsContact CG-CE2 3.47Å; M473-Y515 WeakPolarHBondContact O-CB 3.47Å; M473-Q516 PolarHBondContact O-N 3.32Å; M473-H577 HydrophobicContact SD-CB 4.22Å; M473-C579 HydrophobicContact CE-CB 4.17Å; M473-A580 HydrophobicContact CE-CB 4.05Å; M473-A580 HydrophobicContact SD-CB 3.83Å
474G98.1Very high96.8Very high10 Ų1016.2 Ų16.210%0.1039%0.094CC..BIsolated β-bridgetrans-139.7-158.617700000112.6S476 D477 Y478G474-S476 VanDerWaalsContact C-N 3.29Å; G474-S476 PolarHBondContact O-N 2.92Å; G474-D477 PolarHBondContact N-OD2 3.39Å; G474-D477 WeakPolarHBondContact O-CB 3.3Å; G474-D477 PolarHBondContact O-N 2.81Å; G474-D477 VanDerWaalsContact O-N 3.07Å; G474-Y478 PolarHBondContact O-N 3.13Å; G474-Y478 VanDerWaalsContact O-N 3.08Å
475D98.6Very high96.8Very high16 Ų1616.2 Ų16.29%0.0869%0.094CC..Hα-helixtrans-55.4-40.8-173-57-18.9000113.4D477 L479 V517 T518 F573D475-D477 VanDerWaalsContact C-N 3.33Å; D475-D477 PolarHBondContact O-N 3.23Å; D475-L479 WeakPolarHBondContact O-CB 3.3Å; D475-L479 WeakPolarHBondContact O-CD1 3.43Å; D475-L479 VanDerWaalsContact O-CG 3.29Å; D475-L479 WeakPolarHBondContact O-CG 3.28Å; D475-L479 PolarHBondContact O-N 3.46Å; D475-V517 WeakPolarHBondContact OD1-CA 3.45Å; D475-T518 PolarHBondContact OD1-N 3.3Å; D475-T518 PolarHBondContact OD1-OG1 2.9Å; D475-T518 WeakPolarHBondContact OD2-CB 3.28Å; D475-T518 VanDerWaalsContact OD2-CG2 3.24Å; D475-T518 WeakPolarHBondContact OD2-CG2 3.37Å; D475-T518 PolarHBondContact OD2-OG1 3.23Å; D475-F573 HydrophobicContact CB-CE2 4.27Å
476S97.8Very high96.8Very high9 Ų916.2 Ų16.26%0.0639%0.094CC..Hα-helixtrans-64.6-35.1179.152.40000113.2G474 A480 P574G474-S476 VanDerWaalsContact C-N 3.29Å; G474-S476 PolarHBondContact O-N 2.92Å; S476-A480 WeakPolarHBondContact O-CB 3.4Å; S476-A480 PolarHBondContact O-N 3.3Å; S476-P574 WeakPolarHBondContact CB-O 3.41Å
477D98.5Very high96.8Very high5 Ų516.3 Ų16.33%0.02710%0.095CC..Hα-helixtrans-75.7-46.2179.6-55-60.1000111.5W468 M473 G474 D475 A480 A481 P576 H577 A580W468-D477 HydrophobicContact CH2-CB 4.36Å; M473-D477 VanDerWaalsContact CA-OD2 3.24Å; M473-D477 WeakPolarHBondContact CA-OD2 3.45Å; M473-D477 HydrophobicContact CB-CB 3.84Å; M473-D477 HydrophobicContact CG-CB 4.37Å; M473-D477 HydrophobicContact SD-CB 4.39Å; G474-D477 PolarHBondContact N-OD2 3.39Å; G474-D477 WeakPolarHBondContact O-CB 3.3Å; G474-D477 PolarHBondContact O-N 2.81Å; G474-D477 VanDerWaalsContact O-N 3.07Å; D475-D477 VanDerWaalsContact C-N 3.33Å; D475-D477 PolarHBondContact O-N 3.23Å; D477-A480 PolarHBondContact O-N 3.42Å; D477-A481 PolarHBondContact O-N 2.87Å; D477-P576 WeakPolarHBondContact OD1-CA 3.41Å; D477-H577 WeakPolarHBondContact OD1-CB 3.47Å; D477-H577 PolarHBondContact OD1-N 2.81Å; D477-A580 HydrophobicContact CB-CB 3.78Å; D477-A580 WeakPolarHBondContact OD1-CB 3.23Å
478Y98.8Very high96.8Very high1 Ų116.2 Ų16.20%0.0049%0.094CC..Hα-helixtrans-65.7-42.9177.3-86.3-109.8000111L434 W468 M473 G474 A481 F482 Y515 V517 L525L434-Y478 HydrophobicContact CB-CD1 4.39Å; L434-Y478 HydrophobicContact CB-CE1 3.76Å; L434-Y478 HydrophobicContact CD2-CD1 3.96Å; L434-Y478 HydrophobicContact CD2-CE1 4.18Å; L434-Y478 PolarHBondContact O-OH 3.39Å; W468-Y478 HydrophobicContact CZ2-CD2 4.31Å; W468-Y478 HydrophobicContact CZ2-CE2 4.37Å; W468-Y478 AromaticContact NE1-CE2 3.57Å; W468-Y478 AromaticContact NE1-CZ 3.6Å; M473-Y478 HydrophobicContact CB-CD2 4.41Å; M473-Y478 HydrophobicContact CB-CE2 4.13Å; G474-Y478 PolarHBondContact O-N 3.13Å; G474-Y478 VanDerWaalsContact O-N 3.08Å; Y478-A481 PolarHBondContact O-N 3.17Å; Y478-F482 VanDerWaalsContact O-CD2 3.26Å; Y478-F482 WeakPolarHBondContact O-CD2 3.35Å; Y478-F482 PolarHBondContact O-N 3.02Å; Y478-Y515 HydrophobicContact CE2-CD2 4.26Å; Y478-V517 HydrophobicContact CD1-CG2 4.42Å; Y478-V517 HydrophobicContact CD2-CG2 3.6Å; Y478-V517 HydrophobicContact CE1-CG2 4.47Å; Y478-V517 HydrophobicContact CE2-CG2 3.65Å; Y478-V517 HydrophobicContact CG-CG2 4.02Å; Y478-L525 HydrophobicContact CD1-CD1 3.95Å
479L98.6Very high96.8Very high3 Ų316.2 Ų16.22%0.0169%0.094CC..Hα-helixtrans-67.3-36.9176.2-73.4165.9000112.6D475 F482 H483 H524 L525 L528 L569 F573D475-L479 WeakPolarHBondContact O-CB 3.3Å; D475-L479 WeakPolarHBondContact O-CD1 3.43Å; D475-L479 VanDerWaalsContact O-CG 3.29Å; D475-L479 WeakPolarHBondContact O-CG 3.28Å; D475-L479 PolarHBondContact O-N 3.46Å; L479-F482 PolarHBondContact O-N 3.29Å; L479-H483 VanDerWaalsContact O-CG 3.28Å; L479-H483 PolarHBondContact O-N 2.91Å; L479-H483 PolarHBondContact O-ND1 2.88Å; L479-H524 HydrophobicContact CD2-CB 4.01Å; L479-L525 HydrophobicContact CD2-CD2 3.89Å; L479-L525 HydrophobicContact CG-CD2 4.31Å; L479-L528 HydrophobicContact CD2-CD1 3.98Å; L479-L569 HydrophobicContact CD1-CD1 3.52Å; L479-L569 HydrophobicContact CD1-CD2 4.49Å; L479-F573 HydrophobicContact CD1-CE2 4.27Å; L479-F573 HydrophobicContact CD1-CZ 3.79Å
480A98.5Very high97Very high7 Ų714.5 Ų14.56%0.0589%0.085CC..Hα-helixtrans-63.3-41.9172.400000112.2V210 S476 D477 F482 H484 P576 I584V210-A480 HydrophobicContact CG2-CB 4.16Å; S476-A480 WeakPolarHBondContact O-CB 3.4Å; S476-A480 PolarHBondContact O-N 3.3Å; D477-A480 PolarHBondContact O-N 3.42Å; A480-F482 VanDerWaalsContact C-N 3.34Å; A480-H484 WeakPolarHBondContact O-CB 3.28Å; A480-H484 PolarHBondContact O-CD2 2.84Å; A480-H484 PolarHBondContact O-N 2.63Å; A480-H484 VanDerWaalsContact O-N 3.09Å; A480-P576 HydrophobicContact CB-CB 4.15Å; A480-P576 HydrophobicContact CB-CG 3.73Å; A480-I584 HydrophobicContact CB-CD1 3.79Å
481A98.8Very high97.6Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-63.2-39.4172.100000112.2L434 I466 W468 D477 Y478 V485 V486 I584L434-A481 HydrophobicContact CD2-CB 3.77Å; I466-A481 HydrophobicContact CD1-CB 3.9Å; I466-A481 HydrophobicContact CG2-CB 4.24Å; W468-A481 HydrophobicContact CH2-CB 3.74Å; W468-A481 HydrophobicContact CZ2-CB 3.98Å; D477-A481 PolarHBondContact O-N 2.87Å; Y478-A481 PolarHBondContact O-N 3.17Å; A481-V485 WeakPolarHBondContact O-CA 3.24Å; A481-V485 WeakPolarHBondContact O-CB 3.47Å; A481-V485 PolarHBondContact O-N 2.97Å; A481-V486 PolarHBondContact O-N 3.35Å; A481-I584 HydrophobicContact CB-CD1 4.24Å; A481-I584 HydrophobicContact CB-CG1 4.24Å
482F98.9Very high98.3Very high0 Ų012.1 Ų12.10%06%0.056CC..Iπ-helixtrans-65-49.2178.5-93-122.6000112.5L409 W411 L434 Y478 L479 A480 V486 M487 L525 L528 L529L409-F482 HydrophobicContact CD2-CE1 4.05Å; L409-F482 HydrophobicContact CD2-CE2 4.47Å; L409-F482 HydrophobicContact CD2-CZ 3.6Å; W411-F482 HydrophobicContact CE3-CZ 4.37Å; L434-F482 HydrophobicContact CD1-CE2 4.05Å; L434-F482 HydrophobicContact CD2-CD2 4.09Å; L434-F482 HydrophobicContact CD2-CE2 3.92Å; Y478-F482 VanDerWaalsContact O-CD2 3.26Å; Y478-F482 WeakPolarHBondContact O-CD2 3.35Å; Y478-F482 PolarHBondContact O-N 3.02Å; L479-F482 PolarHBondContact O-N 3.29Å; A480-F482 VanDerWaalsContact C-N 3.34Å; F482-V486 HydrophobicContact CD2-CB 4.26Å; F482-V486 HydrophobicContact CD2-CG2 3.77Å; F482-V486 HydrophobicContact CE2-CG2 4.12Å; F482-V486 HydrophobicContact CG-CB 4.2Å; F482-V486 HydrophobicContact CG-CG2 4.2Å; F482-V486 PolarHBondContact O-N 2.81Å; F482-M487 HydrophobicContact CD1-CG 4.33Å; F482-M487 HydrophobicContact CD1-SD 4.48Å; F482-M487 VanDerWaalsContact O-CB 3.29Å; F482-M487 WeakPolarHBondContact O-CB 3.28Å; F482-M487 WeakPolarHBondContact O-CG 3.36Å; F482-M487 PolarHBondContact O-N 2.95Å; F482-L525 HydrophobicContact CD1-CB 4.44Å; F482-L525 HydrophobicContact CD1-CD2 3.89Å; F482-L525 HydrophobicContact CD2-CD2 3.77Å; F482-L525 HydrophobicContact CE1-CB 3.71Å; F482-L525 HydrophobicContact CE1-CD2 3.89Å; F482-L525 HydrophobicContact CE1-CG 4.22Å; F482-L525 HydrophobicContact CE2-CB 4.48Å; F482-L525 HydrophobicContact CE2-CD1 3.86Å; F482-L525 HydrophobicContact CE2-CD2 3.77Å; F482-L525 HydrophobicContact CE2-CG 4.22Å; F482-L525 HydrophobicContact CG-CD2 3.81Å; F482-L525 HydrophobicContact CZ-CB 3.71Å; F482-L525 HydrophobicContact CZ-CD1 3.81Å; F482-L525 HydrophobicContact CZ-CD2 3.8Å; F482-L525 HydrophobicContact CZ-CG 3.94Å; F482-L528 HydrophobicContact CB-CD1 3.98Å; F482-L528 HydrophobicContact CD1-CB 4.31Å; F482-L528 HydrophobicContact CD1-CD1 3.88Å; F482-L528 HydrophobicContact CG-CD1 4.36Å; F482-L529 HydrophobicContact CE1-CD1 4.18Å; F482-L529 HydrophobicContact CE1-CD2 4.23Å; F482-L529 HydrophobicContact CE1-CG 4.08Å
483H98.4Very high98.5Very high9 Ų94.3 Ų4.34%0.0423%0.027CC..Iπ-helixtrans-66.1-40-179.5-63.7153.8000113.3P99 L479 P488P99-H483 HydrophobicContact CG-CB 3.88Å; L479-H483 VanDerWaalsContact O-CG 3.28Å; L479-H483 PolarHBondContact O-N 2.91Å; L479-H483 PolarHBondContact O-ND1 2.88Å; H483-P488 VanDerWaalsContact O-CD 3.25Å; H483-P488 WeakPolarHBondContact O-CD 3.25Å; H483-P488 WeakPolarHBondContact O-CG 3.43Å
484H98.2Very high98.5Very high1 Ų14.8 Ų4.81%0.0053%0.029CC..Iπ-helixtrans-98.7-14.4-171.2-60.5-54.6000115Q95 S207 L211 A480 I584 I588 L598Q95-H484 PolarHBondContact OE1-ND1 3.32Å; S207-H484 PolarHBondContact O-NE2 3.06Å; L211-H484 HydrophobicContact CD2-CB 4.02Å; A480-H484 WeakPolarHBondContact O-CB 3.28Å; A480-H484 PolarHBondContact O-CD2 2.84Å; A480-H484 PolarHBondContact O-N 2.63Å; A480-H484 VanDerWaalsContact O-N 3.09Å; H484-I584 HydrophobicContact CB-CG2 4.26Å; H484-I588 HydrophobicContact CB-CD1 4.32Å; H484-L598 WeakPolarHBondContact O-CD2 3.29Å
485V98.8Very high98.5Very high0 Ų04.3 Ų4.30%03%0.025CC..Iπ-helixtrans-131.3-62.3-178.5-175.80000112.3V464 I466 A481 I489 I584 V587 I588V464-V485 HydrophobicContact CG1-CG1 4.02Å; I466-V485 HydrophobicContact CD1-CB 3.96Å; I466-V485 HydrophobicContact CD1-CG1 3.79Å; I466-V485 HydrophobicContact CG1-CG1 4.43Å; A481-V485 WeakPolarHBondContact O-CA 3.24Å; A481-V485 WeakPolarHBondContact O-CB 3.47Å; A481-V485 PolarHBondContact O-N 2.97Å; V485-I489 HydrophobicContact CG1-CD1 3.72Å; V485-I489 WeakPolarHBondContact O-CB 3.12Å; V485-I489 VanDerWaalsContact O-CG1 3.23Å; V485-I489 WeakPolarHBondContact O-CG1 3.5Å; V485-I489 PolarHBondContact O-N 3.31Å; V485-I489 VanDerWaalsContact O-N 3.15Å; V485-I584 HydrophobicContact CG2-CG2 4Å; V485-V587 HydrophobicContact CG1-CG1 3.7Å; V485-V587 HydrophobicContact CG2-CG1 4.37Å; V485-I588 HydrophobicContact CG2-CD1 4.42Å; V485-I588 HydrophobicContact CG2-CG1 3.92Å
486V98.9Very high98.4Very high0 Ų04.1 Ų4.10%03%0.026CC..Iπ-helixtrans-64-56-168.2-172.70000111.6L409 I432 L434 I466 A481 F482 A490L409-V486 HydrophobicContact CD1-CG1 3.57Å; L409-V486 HydrophobicContact CD2-CG1 4.29Å; I432-V486 HydrophobicContact CD1-CG1 4.11Å; I432-V486 HydrophobicContact CG2-CG1 4.37Å; I432-V486 HydrophobicContact CG2-CG2 4.14Å; L434-V486 HydrophobicContact CD1-CG2 4.19Å; L434-V486 HydrophobicContact CD2-CG2 4.36Å; I466-V486 HydrophobicContact CD1-CG2 3.92Å; A481-V486 PolarHBondContact O-N 3.35Å; F482-V486 HydrophobicContact CD2-CB 4.26Å; F482-V486 HydrophobicContact CD2-CG2 3.77Å; F482-V486 HydrophobicContact CE2-CG2 4.12Å; F482-V486 HydrophobicContact CG-CB 4.2Å; F482-V486 HydrophobicContact CG-CG2 4.2Å; F482-V486 PolarHBondContact O-N 2.81Å; V486-A490 WeakPolarHBondContact O-CB 3.12Å; V486-A490 PolarHBondContact O-N 2.85Å
487M98.8Very high98.4Very high3 Ų33.7 Ų3.72%0.0152%0.023CC..Hα-helixtrans-68.7-38.9-175.7-64.9-56.7-58.100113.6Q94 F482 A491 L528 L529 L532Q94-M487 HydrophobicContact CG-CB 4.39Å; Q94-M487 PolarHBondContact NE2-O 2.8Å; F482-M487 HydrophobicContact CD1-CG 4.33Å; F482-M487 HydrophobicContact CD1-SD 4.48Å; F482-M487 VanDerWaalsContact O-CB 3.29Å; F482-M487 WeakPolarHBondContact O-CB 3.28Å; F482-M487 WeakPolarHBondContact O-CG 3.36Å; F482-M487 PolarHBondContact O-N 2.95Å; M487-A491 WeakPolarHBondContact O-CB 3.43Å; M487-A491 PolarHBondContact O-N 3.29Å; M487-L528 HydrophobicContact CE-CB 4.34Å; M487-L528 WeakPolarHBondContact CE-O 3.38Å; M487-L528 HydrophobicContact CG-CB 4.17Å; M487-L528 HydrophobicContact SD-CB 3.91Å; M487-L529 HydrophobicContact SD-CD2 3.94Å; M487-L532 HydrophobicContact CE-CD1 3.91Å; M487-L532 HydrophobicContact CE-CD2 4.24Å; M487-L532 HydrophobicContact CE-CG 3.94Å; M487-L532 HydrophobicContact SD-CD1 4.23Å
488P98.6Very high98.4Very high0 Ų03.4 Ų3.40%02%0.022CC..Hα-helixtrans-56.8-53.2170.3-3037.2000113.6H483 A490 A491 E492 S597 L598H483-P488 VanDerWaalsContact O-CD 3.25Å; H483-P488 WeakPolarHBondContact O-CD 3.25Å; H483-P488 WeakPolarHBondContact O-CG 3.43Å; P488-A490 PolarHBondContact O-N 3.5Å; P488-A491 PolarHBondContact O-N 3.11Å; P488-E492 WeakPolarHBondContact O-CB 3.38Å; P488-E492 PolarHBondContact O-N 3.24Å; P488-S597 PolarHBondContact O-OG 2.97Å; P488-L598 HydrophobicContact CB-CD2 3.92Å
489I98.8Very high98.4Very high0 Ų03.4 Ų3.40%02%0.021CC..Hα-helixtrans-62.7-45.9179.5-65.6173.7000110.4L430 I432 V464 V485 A491 E492 F493 H591 W595 L598L430-I489 HydrophobicContact CD1-CG2 4.06Å; L430-I489 HydrophobicContact CD2-CG2 3.83Å; I432-I489 HydrophobicContact CD1-CB 4.36Å; I432-I489 HydrophobicContact CD1-CG2 4.16Å; V464-I489 HydrophobicContact CG1-CD1 3.99Å; V464-I489 HydrophobicContact CG2-CD1 3.85Å; V464-I489 HydrophobicContact CG2-CG2 4.45Å; V485-I489 HydrophobicContact CG1-CD1 3.72Å; V485-I489 WeakPolarHBondContact O-CB 3.12Å; V485-I489 VanDerWaalsContact O-CG1 3.23Å; V485-I489 WeakPolarHBondContact O-CG1 3.5Å; V485-I489 PolarHBondContact O-N 3.31Å; V485-I489 VanDerWaalsContact O-N 3.15Å; I489-A491 PolarHBondContact O-N 3.34Å; I489-E492 PolarHBondContact O-N 3.24Å; I489-F493 VanDerWaalsContact O-CB 3.31Å; I489-F493 WeakPolarHBondContact O-CB 3.42Å; I489-F493 PolarHBondContact O-N 3.43Å; I489-H591 HydrophobicContact CD1-CB 4.4Å; I489-W595 HydrophobicContact CB-CD2 4.47Å; I489-W595 HydrophobicContact CG1-CB 4.31Å; I489-W595 HydrophobicContact CG1-CD2 4.4Å; I489-W595 HydrophobicContact CG1-CG 3.95Å; I489-W595 HydrophobicContact CG2-CD2 3.81Å; I489-W595 HydrophobicContact CG2-CE3 4.25Å; I489-W595 HydrophobicContact CG2-CG 4.22Å; I489-W595 HydrophobicContact CG2-CH2 4.33Å; I489-W595 HydrophobicContact CG2-CZ2 3.89Å; I489-W595 HydrophobicContact CG2-CZ3 4.5Å; I489-L598 HydrophobicContact CD1-CD1 3.94Å; I489-L598 HydrophobicContact CG1-CD1 3.89Å; I489-L598 HydrophobicContact CG1-CD2 4.14Å; I489-L598 HydrophobicContact CG1-CG 4.19Å
490A98.8Very high98.5Very high0 Ų03.2 Ų3.20%02%0.021CC..Hα-helixtrans-66.3-37.6-17800000113L407 V486 P488 N494 P495 L532L407-A490 HydrophobicContact CD2-CB 3.75Å; V486-A490 WeakPolarHBondContact O-CB 3.12Å; V486-A490 PolarHBondContact O-N 2.85Å; P488-A490 PolarHBondContact O-N 3.5Å; A490-N494 PolarHBondContact O-N 2.81Å; A490-P495 WeakPolarHBondContact O-CD 3.32Å; A490-L532 HydrophobicContact CB-CD1 3.58Å; A490-L532 HydrophobicContact CB-CD2 4.35Å
491A98.1Very high98.5Very high7 Ų72.9 Ų2.96%0.0582%0.018CC..Hα-helixtrans-67.3-42.3174.400000111.6I90 L180 M487 P488 I489 N494 L532I90-A491 HydrophobicContact CG2-CB 4.29Å; L180-A491 HydrophobicContact CD1-CB 4.06Å; L180-A491 WeakPolarHBondContact CD1-O 3.48Å; M487-A491 WeakPolarHBondContact O-CB 3.43Å; M487-A491 PolarHBondContact O-N 3.29Å; P488-A491 PolarHBondContact O-N 3.11Å; I489-A491 PolarHBondContact O-N 3.34Å; A491-N494 PolarHBondContact O-N 2.89Å; A491-L532 HydrophobicContact CB-CD2 4.31Å
492E98.4Very high98.5Very high11 Ų112.9 Ų2.95%0.0512%0.018CC..Hα-helixtrans-65.2-41.6177.6-170167.3175.800112T184 A185 P488 I489 N494 W595 R596 S597T184-E492 WeakPolarHBondContact CB-O 3.24Å; T184-E492 WeakPolarHBondContact O-CA 3.42Å; T184-E492 PolarHBondContact OG1-O 2.99Å; A185-E492 HydrophobicContact CB-CG 3.8Å; A185-E492 WeakPolarHBondContact CB-OE1 3.23Å; P488-E492 WeakPolarHBondContact O-CB 3.38Å; P488-E492 PolarHBondContact O-N 3.24Å; I489-E492 PolarHBondContact O-N 3.24Å; E492-N494 VanDerWaalsContact C-N 3.31Å; E492-N494 PolarHBondContact O-N 3.38Å; E492-W595 HydrophobicContact CB-CE3 3.99Å; E492-W595 HydrophobicContact CB-CZ3 4.41Å; E492-W595 HydrophobicContact CG-CE3 3.89Å; E492-W595 HydrophobicContact CG-CZ3 4.37Å; E492-R596 VanDerWaalsContact CD-N 3.27Å; E492-R596 WeakPolarHBondContact OE1-CB 3.44Å; E492-R596 PolarHBondContact OE1-N 2.81Å; E492-R596 PolarHBondContact OE2-N 3.33Å; E492-S597 WeakPolarHBondContact OE2-CB 3.24Å; E492-S597 PolarHBondContact OE2-N 2.79Å; E492-S597 PolarHBondContact OE2-OG 3.3Å
493F98.3Very high98.5Very high9 Ų92.9 Ų2.94%0.0392%0.018CC..Hα-helixtrans-64.3-30.7172.2179.1-114000113.3R405 L430 F462 I489 P495 W595R405-F493 HydrophobicContact CB-CE1 3.83Å; R405-F493 HydrophobicContact CB-CE2 4.26Å; R405-F493 HydrophobicContact CB-CZ 3.62Å; R405-F493 WeakPolarHBondContact CD-O 3.26Å; R405-F493 HydrophobicContact CG-CE2 4.05Å; R405-F493 HydrophobicContact CG-CZ 3.88Å; R405-F493 PolarHBondContact NE-O 3.36Å; L430-F493 HydrophobicContact CB-CD1 3.73Å; L430-F493 HydrophobicContact CB-CD2 4.09Å; L430-F493 HydrophobicContact CB-CE1 3.49Å; L430-F493 VanDerWaalsContact CB-CE1 3.49Å; L430-F493 HydrophobicContact CB-CE2 3.86Å; L430-F493 HydrophobicContact CB-CG 4.02Å; L430-F493 HydrophobicContact CB-CZ 3.55Å; L430-F493 HydrophobicContact CD2-CB 3.65Å; L430-F493 HydrophobicContact CD2-CD1 3.54Å; L430-F493 HydrophobicContact CD2-CD2 4.26Å; L430-F493 HydrophobicContact CD2-CE1 4.19Å; L430-F493 HydrophobicContact CD2-CG 3.57Å; L430-F493 HydrophobicContact CG-CD1 4.3Å; L430-F493 HydrophobicContact CG-CE1 4.5Å; L430-F493 HydrophobicContact CG-CG 4.44Å; F462-F493 AromaticContact CD1-CD2 3.98Å; F462-F493 HydrophobicContact CD1-CD2 3.98Å; F462-F493 AromaticContact CD1-CE2 3.71Å; F462-F493 HydrophobicContact CD1-CE2 3.71Å; F462-F493 AromaticContact CE1-CD2 3.73Å; F462-F493 HydrophobicContact CE1-CD2 3.73Å; F462-F493 AromaticContact CE1-CE2 3.65Å; F462-F493 HydrophobicContact CE1-CE2 3.65Å; I489-F493 VanDerWaalsContact O-CB 3.31Å; I489-F493 WeakPolarHBondContact O-CB 3.42Å; I489-F493 PolarHBondContact O-N 3.43Å; F493-P495 HydrophobicContact CD1-CB 3.93Å; F493-P495 HydrophobicContact CD1-CG 4.38Å; F493-P495 HydrophobicContact CE1-CB 3.95Å; F493-W595 HydrophobicContact CB-CH2 3.91Å; F493-W595 HydrophobicContact CB-CZ3 3.89Å; F493-W595 HydrophobicContact CD2-CH2 4.02Å; F493-W595 HydrophobicContact CG-CH2 4.38Å
494N97.3Very high98.5Very high9 Ų92.5 Ų2.55%0.0482%0.016CC..  trans48.669.7179.9-174.210.9000112.5L180 T184 R405 A490 A491 E492L180-N494 HydrophobicContact CD1-CB 4.44Å; L180-N494 PolarHBondContact O-ND2 2.83Å; T184-N494 HydrophobicContact CG2-CB 3.55Å; T184-N494 WeakPolarHBondContact CG2-ND2 3.41Å; R405-N494 VanDerWaalsContact CZ-O 3.3Å; R405-N494 PolarHBondContact NE-O 3.5Å; R405-N494 VanDerWaalsContact NE-O 3.1Å; R405-N494 PolarHBondContact NH2-O 2.88Å; A490-N494 PolarHBondContact O-N 2.81Å; A491-N494 PolarHBondContact O-N 2.89Å; E492-N494 VanDerWaalsContact C-N 3.31Å; E492-N494 PolarHBondContact O-N 3.38Å
495P97.8Very high98.5Very high1 Ų12.4 Ų2.41%0.0062%0.016CC..  trans-65147.6-178.327.6-34.7000111.4L407 A490 F493 V498 L532 A533L407-P495 HydrophobicContact CB-CB 3.83Å; L407-P495 HydrophobicContact CB-CG 3.99Å; L407-P495 HydrophobicContact CD2-CG 4.48Å; A490-P495 WeakPolarHBondContact O-CD 3.32Å; F493-P495 HydrophobicContact CD1-CB 3.93Å; F493-P495 HydrophobicContact CD1-CG 4.38Å; F493-P495 HydrophobicContact CE1-CB 3.95Å; P495-V498 HydrophobicContact CG-CG2 3.95Å; P495-L532 HydrophobicContact CG-CB 4.2Å; P495-A533 HydrophobicContact CG-CB 4.49Å; P495-A533 WeakPolarHBondContact O-CA 3.4Å; P495-A533 WeakPolarHBondContact O-CB 3.37Å
496G96.7Very high98.5Very high11 Ų112.4 Ų2.411%0.1132%0.016CC..SBendtrans-84.6-18.4167.800000113.3R405 R536R405-G496 PolarHBondContact O-N 2.92Å; G496-R536 VanDerWaalsContact O-CZ 3.25Å; G496-R536 PolarHBondContact O-NE 2.84Å; G496-R536 PolarHBondContact O-NH2 2.96Å
497L98.7Very high98.4Very high0 Ų02.5 Ų2.50%02%0.016CC..EExtended strand (participates in β ladder)trans-146.7138.5174.9177.864.6000109.6V352 I355 A395 L404 R405 V406 L407 L499 R536V352-L497 HydrophobicContact CG1-CD2 4.08Å; V352-L497 HydrophobicContact CG2-CD2 4.28Å; I355-L497 HydrophobicContact CG2-CD1 4.27Å; A395-L497 HydrophobicContact CB-CD2 3.57Å; L404-L497 HydrophobicContact CD1-CB 4.41Å; R405-L497 PolarHBondContact O-N 3.42Å; V406-L497 WeakPolarHBondContact CA-O 3.45Å; L407-L497 PolarHBondContact N-O 2.77Å; L497-L499 HydrophobicContact CD1-CD2 4.43Å; L497-L499 HydrophobicContact CD2-CD2 3.94Å; L497-L499 HydrophobicContact CD2-CG 4.41Å; L497-L499 HydrophobicContact CG-CD2 4.05Å; L497-L499 HydrophobicContact CG-CG 4.45Å; L497-R536 HydrophobicContact CD1-CB 4.24Å
498V98.9Very high98.3Very high0 Ų09.4 Ų9.40%04%0.042CC..EExtended strand (participates in β ladder)trans-109125.4169.8-177.70000109.1L407 P495 V500 L532 A533 R536 V537 L538L407-V498 HydrophobicContact CB-CG2 4.35Å; L407-V498 HydrophobicContact CD2-CG1 4.04Å; L407-V498 HydrophobicContact CD2-CG2 4.16Å; L407-V498 HydrophobicContact CG-CG1 4.27Å; P495-V498 HydrophobicContact CG-CG2 3.95Å; V498-V500 HydrophobicContact CG1-CG2 4.27Å; V498-L532 HydrophobicContact CG2-CB 3.97Å; V498-L532 HydrophobicContact CG2-CD1 4.42Å; V498-A533 HydrophobicContact CG2-CB 3.95Å; V498-R536 PolarHBondContact N-O 3.33Å; V498-V537 HydrophobicContact CB-CG2 4.23Å; V498-V537 HydrophobicContact CG1-CG1 4.38Å; V498-V537 CarbonylContact O-C 3.6Å; V498-V537 WeakPolarHBondContact O-CA 3.17Å; V498-L538 PolarHBondContact O-N 2.91Å
499L99Very high98.1Very high0 Ų011.7 Ų11.70%07%0.066CC..EExtended strand (participates in β ladder)trans-107.8134.8167.2-56-177.3000108V352 A388 T391 A392 V406 L407 I408 L409 L497 L538V352-L499 HydrophobicContact CG2-CD2 4.29Å; A388-L499 WeakPolarHBondContact O-CD1 3.22Å; T391-L499 HydrophobicContact CG2-CD1 3.84Å; T391-L499 HydrophobicContact CG2-CD2 3.91Å; A392-L499 HydrophobicContact CB-CD1 3.93Å; V406-L499 HydrophobicContact CG1-CD1 3.94Å; V406-L499 HydrophobicContact CG1-CG 3.91Å; L407-L499 PolarHBondContact O-N 3.25Å; I408-L499 WeakPolarHBondContact CA-O 3.34Å; I408-L499 HydrophobicContact CG1-CB 4.38Å; I408-L499 HydrophobicContact CG1-CD1 4.38Å; L409-L499 PolarHBondContact N-O 3.32Å; L497-L499 HydrophobicContact CD1-CD2 4.43Å; L497-L499 HydrophobicContact CD2-CD2 3.94Å; L497-L499 HydrophobicContact CD2-CG 4.41Å; L497-L499 HydrophobicContact CG-CD2 4.05Å; L497-L499 HydrophobicContact CG-CG 4.45Å; L499-L538 WeakPolarHBondContact CA-O 3.28Å; L499-L538 HydrophobicContact CD2-CB 3.88Å; L499-L538 HydrophobicContact CD2-CD2 4.2Å; L499-L538 HydrophobicContact CD2-CG 4.42Å
500V99Very high98Very high0 Ų012.1 Ų12.10%07%0.068CC..EExtended strand (participates in β ladder)trans-111.7113.4173.2-170.30000108.7L409 W411 V498 A502 L529 V537 L538 I539 I540L409-V500 CarbonylContact O-C 3.52Å; L409-V500 VanDerWaalsContact O-CA 3.3Å; L409-V500 WeakPolarHBondContact O-CA 3.36Å; W411-V500 HydrophobicContact CD2-CG1 3.69Å; W411-V500 HydrophobicContact CE3-CG1 3.73Å; W411-V500 HydrophobicContact CG-CG1 4.38Å; W411-V500 HydrophobicContact CH2-CG1 3.86Å; W411-V500 HydrophobicContact CZ2-CG1 3.84Å; W411-V500 HydrophobicContact CZ3-CG1 3.82Å; V498-V500 HydrophobicContact CG1-CG2 4.27Å; V500-A502 HydrophobicContact CG1-CB 4.1Å; V500-A502 PolarHBondContact O-N 2.83Å; V500-A502 VanDerWaalsContact O-N 3.11Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; V500-V537 HydrophobicContact CG2-CG1 3.99Å; V500-L538 PolarHBondContact N-O 3.25Å; V500-I539 HydrophobicContact CB-CG1 4.34Å; V500-I539 HydrophobicContact CG2-CG1 4.32Å; V500-I540 PolarHBondContact O-N 2.82Å
501S98.9Very high97.8Very high0 Ų016.5 Ų16.50%010%0.096CC..EExtended strand (participates in β ladder)trans-70.595.1162.7-750000107.1A388 L409 D410 W411 G503A388-S501 WeakPolarHBondContact CB-OG 3.45Å; L409-S501 PolarHBondContact O-N 2.87Å; D410-S501 WeakPolarHBondContact OD1-CB 3.33Å; W411-S501 PolarHBondContact N-O 3.45Å; S501-G503 PolarHBondContact O-N 2.9Å
502A98.8Very high97.6Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-101.877.1-162.300000111.7W411 V500 F504 I539 I540 E542W411-A502 HydrophobicContact CZ2-CB 4.01Å; W411-A502 VanDerWaalsContact NE1-CA 3.3Å; V500-A502 HydrophobicContact CG1-CB 4.1Å; V500-A502 PolarHBondContact O-N 2.83Å; V500-A502 VanDerWaalsContact O-N 3.11Å; A502-F504 HydrophobicContact CB-CE2 4.34Å; A502-F504 HydrophobicContact CB-CZ 4.27Å; A502-I539 HydrophobicContact CB-CG2 3.49Å; A502-I539 VanDerWaalsContact CB-CG2 3.49Å; A502-I540 WeakPolarHBondContact CA-O 3.29Å; A502-I540 VanDerWaalsContact CB-O 3.24Å; A502-I540 WeakPolarHBondContact CB-O 3.03Å; A502-I540 PolarHBondContact N-O 2.84Å; A502-E542 PolarHBondContact O-N 3.14Å; A502-E542 VanDerWaalsContact O-N 3.11Å
503G98.6Very high97.3Very high0 Ų018.7 Ų18.70%011%0.107CC..  trans-78.8130.6166.900000112W411 D412 S501 Y522W411-G503 PolarHBondContact NE1-O 3.15Å; D412-G503 WeakPolarHBondContact OD2-CA 3.33Å; S501-G503 PolarHBondContact O-N 2.9Å; G503-Y522 PolarHBondContact O-OH 3.06Å
504F98.8Very high97.1Very high0 Ų019.4 Ų19.40%012%0.117CC..  trans-105.127.8175.5-61.1-69.8000112.1W411 A502 A507 Y522 L541 G543 G544 I550 M554W411-F504 HydrophobicContact CZ2-CE1 4.11Å; W411-F504 HydrophobicContact CZ2-CZ 4.33Å; W411-F504 AromaticContact NE1-CE1 3.99Å; A502-F504 HydrophobicContact CB-CE2 4.34Å; A502-F504 HydrophobicContact CB-CZ 4.27Å; F504-A507 WeakPolarHBondContact O-CB 3.31Å; F504-Y522 AromaticContact CD1-CD1 3.93Å; F504-Y522 HydrophobicContact CD1-CD1 3.93Å; F504-Y522 HydrophobicContact CD1-CD2 4.02Å; F504-Y522 AromaticContact CD1-CE1 3.8Å; F504-Y522 HydrophobicContact CD1-CE1 3.8Å; F504-Y522 AromaticContact CD1-CE2 3.91Å; F504-Y522 HydrophobicContact CD1-CE2 3.91Å; F504-Y522 HydrophobicContact CD1-CG 4.02Å; F504-Y522 AromaticContact CD1-CZ 3.77Å; F504-Y522 AromaticContact CE1-CD1 3.81Å; F504-Y522 HydrophobicContact CE1-CD1 3.81Å; F504-Y522 HydrophobicContact CE1-CD2 4.36Å; F504-Y522 HydrophobicContact CE1-CE1 4.1Å; F504-Y522 AromaticContact CE1-CG 3.94Å; F504-Y522 HydrophobicContact CE1-CG 3.94Å; F504-L541 HydrophobicContact CD2-CD1 3.79Å; F504-L541 HydrophobicContact CE2-CD1 4Å; F504-G543 PolarHBondContact N-O 2.81Å; F504-G544 VanDerWaalsContact C-CA 3.41Å; F504-I550 HydrophobicContact CB-CB 4.07Å; F504-I550 HydrophobicContact CB-CG2 3.72Å; F504-M554 HydrophobicContact CD2-CB 4.43Å; F504-M554 HydrophobicContact CE2-CB 3.72Å; F504-M554 HydrophobicContact CE2-CE 3.85Å; F504-M554 HydrophobicContact CE2-CG 4.2Å; F504-M554 HydrophobicContact CE2-SD 3.67Å; F504-M554 HydrophobicContact CZ-CB 3.96Å; F504-M554 HydrophobicContact CZ-CE 4.44Å; F504-M554 HydrophobicContact CZ-CG 4.48Å; F504-M554 HydrophobicContact CZ-SD 3.75Å
505D98.4Very high97.2Very high0 Ų019.2 Ų19.20%012%0.116CC..SBendtrans-91.4-13.917541.119.4000114I413 H414 A507 D510 G513 G544 Y545I413-D505 HydrophobicContact CG2-CB 3.94Å; I413-D505 PolarHBondContact N-OD1 2.91Å; H414-D505 IonicContact CE1-OD2 3.75Å; H414-D505 PolarHBondContact CE1-OD2 3.27Å; H414-D505 VanDerWaalsContact CE1-OD2 3.28Å; H414-D505 IonicContact ND1-OD2 3.56Å; H414-D505 PolarHBondContact ND1-OD2 2.75Å; D505-A507 PolarHBondContact O-N 2.9Å; D505-D510 VanDerWaalsContact CA-CG 3.42Å; D505-D510 HydrophobicContact CB-CB 4.38Å; D505-D510 WeakPolarHBondContact CB-OD1 3.4Å; D505-D510 VanDerWaalsContact O-CB 3.3Å; D505-D510 WeakPolarHBondContact O-CB 3.25Å; D505-G513 WeakPolarHBondContact O-CA 3.47Å; D505-G544 VanDerWaalsContact N-CA 3.31Å; D505-G544 PolarHBondContact OD2-N 2.96Å; D505-Y545 HydrophobicContact CB-CD2 4Å; D505-Y545 HydrophobicContact CB-CE2 3.94Å; D505-Y545 WeakPolarHBondContact OD2-CE2 3.41Å
506A98.3Very high97.1Very high0 Ų023.5 Ų23.50%014%0.136CC..SBendtrans-71-8.6161.700000112.1I413 Y515 V517 Y522I413-A506 HydrophobicContact CB-CB 3.89Å; I413-A506 HydrophobicContact CG1-CB 3.98Å; A506-Y515 CarbonylContact O-C 3.46Å; A506-Y515 VanDerWaalsContact O-CB 3.3Å; A506-Y515 WeakPolarHBondContact O-CB 3.41Å; A506-V517 HydrophobicContact CB-CG2 4.1Å; A506-V517 WeakPolarHBondContact O-CB 3.14Å; A506-V517 WeakPolarHBondContact O-CG2 3.48Å; A506-V517 PolarHBondContact O-N 3.23Å; A506-V517 VanDerWaalsContact O-N 3.14Å; A506-Y522 WeakPolarHBondContact CB-OH 3.48Å
507A98.3Very high97.2Very high1 Ų123 Ų231%0.00813%0.131CC..BIsolated β-bridgetrans-70.3148.4-176.700000113.3F504 D505 G509 D510 V517 Y522F504-A507 WeakPolarHBondContact O-CB 3.31Å; D505-A507 PolarHBondContact O-N 2.9Å; A507-G509 PolarHBondContact O-N 3.15Å; A507-D510 WeakPolarHBondContact O-CB 3.45Å; A507-D510 PolarHBondContact O-N 3.25Å; A507-D510 VanDerWaalsContact O-N 3.11Å; A507-V517 CarbonylContact C-O 3.55Å; A507-V517 VanDerWaalsContact CA-O 3.22Å; A507-V517 WeakPolarHBondContact CA-O 3.48Å; A507-Y522 HydrophobicContact CB-CE2 3.86Å; A507-Y522 PolarHBondContact N-OH 2.83Å
508R95.7Very high97.2Very high148 Ų14823.8 Ų23.856%0.55814%0.135SC*.THydrogen-bonded Turntrans-53.8125173.3-175-179.764.9-166.3-5.7110.9V517 S549R508-V517 PolarHBondContact N-O 3.29Å; R508-S549 PolarHBondContact O-OG 3.3Å
509G93.8Very high97.2Very high48 Ų4824.6 Ų24.650%0.49514%0.14SC..THydrogen-bonded Turntrans87.14.917700000114.9A507 N546A507-G509 PolarHBondContact O-N 3.15Å; G509-N546 WeakPolarHBondContact O-CB 3.44Å; G509-N546 PolarHBondContact O-ND2 3.31Å
510D97.9Very high97.2Very high9 Ų927.4 Ų27.45%0.04815%0.154CC..  trans-66.3135.1169.3-168.2-90.2000111.9D505 A507 L512 G513 Y545 N546D505-D510 VanDerWaalsContact CA-CG 3.42Å; D505-D510 HydrophobicContact CB-CB 4.38Å; D505-D510 WeakPolarHBondContact CB-OD1 3.4Å; D505-D510 VanDerWaalsContact O-CB 3.3Å; D505-D510 WeakPolarHBondContact O-CB 3.25Å; A507-D510 WeakPolarHBondContact O-CB 3.45Å; A507-D510 PolarHBondContact O-N 3.25Å; A507-D510 VanDerWaalsContact O-N 3.11Å; D510-L512 PolarHBondContact O-N 2.83Å; D510-L512 PolarHBondContact OD1-N 3.1Å; D510-G513 PolarHBondContact OD1-N 3.14Å; D510-G513 VanDerWaalsContact OD1-N 3.15Å; D510-Y545 WeakPolarHBondContact OD2-CA 3.21Å; D510-Y545 PolarHBondContact OD2-N 2.79Å; D510-N546 PolarHBondContact OD2-N 3.25Å
511P94Very high97.2Very high92 Ų9227.5 Ų27.560%0.59715%0.154SC*.THydrogen-bonded Turntrans-74-18.2-177.630-37.5000115
512L94.2Very high97.2Very high65 Ų6527.5 Ų27.534%0.3415%0.154SC..THydrogen-bonded Turntrans-102.2-43.6-177.1-56.7-166.7000112.2P263 D510 Y545P263-L512 HydrophobicContact CB-CD1 4.26Å; P263-L512 HydrophobicContact CG-CD1 4.02Å; D510-L512 PolarHBondContact O-N 2.83Å; D510-L512 PolarHBondContact OD1-N 3.1Å; L512-Y545 HydrophobicContact CB-CD2 4.17Å; L512-Y545 HydrophobicContact CB-CE2 4.48Å; L512-Y545 HydrophobicContact CD1-CD2 3.54Å; L512-Y545 HydrophobicContact CD1-CE2 3.58Å; L512-Y545 HydrophobicContact CD1-CG 4.14Å; L512-Y545 HydrophobicContact CG-CD2 3.8Å; L512-Y545 HydrophobicContact CG-CE2 4.27Å; L512-Y545 HydrophobicContact CG-CG 4.41Å
513G92.8Very high97.2Very high0 Ų027.5 Ų27.50%015%0.154CC..THydrogen-bonded Turntrans-74-49.1-173.200000114.8I413 R436 D505 D510 Y515I413-G513 VanDerWaalsContact CD1-C 3.44Å; I413-G513 VanDerWaalsContact CD1-O 3.25Å; I413-G513 WeakPolarHBondContact CD1-O 3.49Å; R436-G513 PolarHBondContact NH1-O 2.84Å; D505-G513 WeakPolarHBondContact O-CA 3.47Å; D510-G513 PolarHBondContact OD1-N 3.14Å; D510-G513 VanDerWaalsContact OD1-N 3.15Å; G513-Y515 VanDerWaalsContact C-N 3.33Å
514G93.4Very high97.2Very high24 Ų2428 Ų2825%0.24716%0.157CC..  trans76.413.5-178.800000115.6R472R472-G514 WeakPolarHBondContact CD-O 3.33Å; R472-G514 WeakPolarHBondContact CG-O 3.48Å
515Y98Very high97.2Very high5 Ų528 Ų282%0.0216%0.157CC..  trans-94-178.9174.9-82.113.2000111.9I413 R436 W468 R472 M473 Y478 A506 G513I413-Y515 HydrophobicContact CD1-CD1 3.99Å; I413-Y515 HydrophobicContact CD1-CD2 3.67Å; I413-Y515 HydrophobicContact CD1-CE1 4.46Å; I413-Y515 HydrophobicContact CD1-CE2 4.15Å; I413-Y515 HydrophobicContact CD1-CG 3.58Å; I413-Y515 HydrophobicContact CG1-CD2 3.95Å; I413-Y515 HydrophobicContact CG1-CE2 4.27Å; I413-Y515 HydrophobicContact CG1-CG 4.36Å; R436-Y515 HydrophobicContact CB-CE1 4.48Å; R436-Y515 HydrophobicContact CB-CE2 4.2Å; R436-Y515 HydrophobicContact CG-CE1 4.21Å; W468-Y515 HydrophobicContact CB-CE2 4.11Å; W468-Y515 WeakPolarHBondContact CB-OH 3.08Å; W468-Y515 AromaticContact CD1-CE2 3.74Å; W468-Y515 HydrophobicContact CG-CE2 4.11Å; R472-Y515 HydrophobicContact CB-CD1 4.37Å; M473-Y515 HydrophobicContact CB-CD2 3.68Å; M473-Y515 HydrophobicContact CB-CE2 3.57Å; M473-Y515 HydrophobicContact CB-CG 4.3Å; M473-Y515 HydrophobicContact CG-CD2 4.12Å; M473-Y515 HydrophobicContact CG-CE1 4.39Å; M473-Y515 HydrophobicContact CG-CE2 3.47Å; M473-Y515 VanDerWaalsContact CG-CE2 3.47Å; M473-Y515 WeakPolarHBondContact O-CB 3.47Å; Y478-Y515 HydrophobicContact CE2-CD2 4.26Å; A506-Y515 CarbonylContact O-C 3.46Å; A506-Y515 VanDerWaalsContact O-CB 3.3Å; A506-Y515 WeakPolarHBondContact O-CB 3.41Å; G513-Y515 VanDerWaalsContact C-N 3.33Å
516Q97.5Very high97.2Very high90 Ų9028.1 Ų28.142%0.42116%0.157SC..BIsolated β-bridgetrans-129.521.2-166.6-55.4-167.420.200113.8R472 M473 T518R472-Q516 HydrophobicContact CB-CG 4.3Å; M473-Q516 PolarHBondContact O-N 3.32Å; Q516-T518 PolarHBondContact O-N 3.29Å
517V98.7Very high97.3Very high1 Ų128.5 Ų28.51%0.00616%0.159CC..BIsolated β-bridgetrans-62.6132.6176.4-173.50000109.3D475 Y478 A506 A507 R508 Y522D475-V517 WeakPolarHBondContact OD1-CA 3.45Å; Y478-V517 HydrophobicContact CD1-CG2 4.42Å; Y478-V517 HydrophobicContact CD2-CG2 3.6Å; Y478-V517 HydrophobicContact CE1-CG2 4.47Å; Y478-V517 HydrophobicContact CE2-CG2 3.65Å; Y478-V517 HydrophobicContact CG-CG2 4.02Å; A506-V517 HydrophobicContact CB-CG2 4.1Å; A506-V517 WeakPolarHBondContact O-CB 3.14Å; A506-V517 WeakPolarHBondContact O-CG2 3.48Å; A506-V517 PolarHBondContact O-N 3.23Å; A506-V517 VanDerWaalsContact O-N 3.14Å; A507-V517 CarbonylContact C-O 3.55Å; A507-V517 VanDerWaalsContact CA-O 3.22Å; A507-V517 WeakPolarHBondContact CA-O 3.48Å; R508-V517 PolarHBondContact N-O 3.29Å; V517-Y522 HydrophobicContact CB-CE2 3.92Å; V517-Y522 HydrophobicContact CG1-CD2 3.76Å; V517-Y522 HydrophobicContact CG1-CE1 4.41Å; V517-Y522 HydrophobicContact CG1-CE2 3.54Å; V517-Y522 HydrophobicContact CG1-CG 4.3Å
518T98.8Very high97.3Very high17 Ų1729 Ų2910%0.10416%0.161CC..  trans-92.3157.8-177.867.10000111.3D475 Q516 E520 G521 Y522D475-T518 PolarHBondContact OD1-N 3.3Å; D475-T518 PolarHBondContact OD1-OG1 2.9Å; D475-T518 WeakPolarHBondContact OD2-CB 3.28Å; D475-T518 VanDerWaalsContact OD2-CG2 3.24Å; D475-T518 WeakPolarHBondContact OD2-CG2 3.37Å; D475-T518 PolarHBondContact OD2-OG1 3.23Å; Q516-T518 PolarHBondContact O-N 3.29Å; T518-E520 VanDerWaalsContact CB-OE2 3.32Å; T518-E520 WeakPolarHBondContact CB-OE2 3.07Å; T518-E520 PolarHBondContact O-N 3.08Å; T518-E520 PolarHBondContact OG1-OE2 3.18Å; T518-G521 WeakPolarHBondContact O-CA 3.43Å; T518-G521 PolarHBondContact O-N 3.44Å; T518-G521 PolarHBondContact OG1-N 2.93Å; T518-Y522 VanDerWaalsContact O-CD2 3.27Å; T518-Y522 WeakPolarHBondContact O-CD2 3.4Å; T518-Y522 PolarHBondContact O-N 3.35Å; T518-Y522 VanDerWaalsContact O-N 3.09Å
519P98.8Very high97.4Very high16 Ų1621.9 Ų21.910%0.10414%0.135CC..Hα-helixtrans-52-37.5168.3-28.136.9000112.8Y522 A523 D552 S553 M556P519-Y522 PolarHBondContact O-N 2.77Å; P519-A523 PolarHBondContact O-N 3.42Å; P519-A523 VanDerWaalsContact O-N 3.15Å; P519-D552 HydrophobicContact CB-CB 4.12Å; P519-D552 HydrophobicContact CG-CB 3.76Å; P519-S553 WeakPolarHBondContact CA-OG 3.43Å; P519-M556 HydrophobicContact CB-CB 4.45Å; P519-M556 HydrophobicContact CB-CG 3.79Å; P519-M556 VanDerWaalsContact O-CB 3.28Å; P519-M556 WeakPolarHBondContact O-CB 3.39Å
520E98.6Very high97.6Very high60 Ų6020.3 Ų20.328%0.2812%0.115SC..Hα-helixtrans-62.5-45.1174-62.475.1-167.800111.2T518 Y522 A523 H524 P567 L569T518-E520 VanDerWaalsContact CB-OE2 3.32Å; T518-E520 WeakPolarHBondContact CB-OE2 3.07Å; T518-E520 PolarHBondContact O-N 3.08Å; T518-E520 PolarHBondContact OG1-OE2 3.18Å; E520-Y522 PolarHBondContact O-N 3.11Å; E520-A523 WeakPolarHBondContact O-CB 3.32Å; E520-A523 PolarHBondContact O-N 2.91Å; E520-A523 VanDerWaalsContact O-N 3.17Å; E520-H524 PolarHBondContact O-CD2 3.36Å; E520-H524 VanDerWaalsContact O-CD2 3.32Å; E520-H524 PolarHBondContact O-N 3.22Å; E520-H524 VanDerWaalsContact O-N 3.13Å; E520-P567 HydrophobicContact CB-CG 3.78Å; E520-P567 HydrophobicContact CG-CB 4.01Å; E520-P567 HydrophobicContact CG-CG 3.63Å; E520-L569 HydrophobicContact CB-CD2 4.26Å
521G98.7Very high97.6Very high1 Ų120 Ų201%0.0111%0.113CC..Hα-helixtrans-52.3-52.1172.400000112.3T518 A523 H524 L525T518-G521 WeakPolarHBondContact O-CA 3.43Å; T518-G521 PolarHBondContact O-N 3.44Å; T518-G521 PolarHBondContact OG1-N 2.93Å; G521-A523 VanDerWaalsContact C-N 3.31Å; G521-A523 PolarHBondContact O-N 3.1Å; G521-H524 WeakPolarHBondContact O-CB 3.4Å; G521-H524 PolarHBondContact O-N 3.41Å; G521-L525 WeakPolarHBondContact O-CG 3.26Å; G521-L525 PolarHBondContact O-N 3.45Å
522Y98.9Very high97.7Very high0 Ų015.7 Ų15.70%09%0.085CC..Hα-helixtrans-60.9-33.3178-74.9-74000114W411 G503 F504 A506 A507 V517 T518 P519 E520 L525 T526 S553W411-Y522 AromaticContact CD1-CE1 3.58Å; W411-Y522 AromaticContact CD2-CD1 3.99Å; W411-Y522 HydrophobicContact CD2-CD1 3.99Å; W411-Y522 HydrophobicContact CD2-CE1 4.04Å; W411-Y522 AromaticContact CE2-CD1 3.61Å; W411-Y522 AromaticContact CE2-CE1 3.79Å; W411-Y522 HydrophobicContact CG-CD1 4.38Å; W411-Y522 AromaticContact CG-CE1 3.93Å; W411-Y522 HydrophobicContact CG-CE1 3.93Å; W411-Y522 HydrophobicContact CH2-CD1 4.45Å; W411-Y522 AromaticContact CZ2-CD1 3.88Å; W411-Y522 HydrophobicContact CZ2-CD1 3.88Å; W411-Y522 HydrophobicContact CZ2-CE1 4.48Å; W411-Y522 AromaticContact NE1-CD1 3.72Å; W411-Y522 AromaticContact NE1-CE1 3.43Å; G503-Y522 PolarHBondContact O-OH 3.06Å; F504-Y522 AromaticContact CD1-CD1 3.93Å; F504-Y522 HydrophobicContact CD1-CD1 3.93Å; F504-Y522 HydrophobicContact CD1-CD2 4.02Å; F504-Y522 AromaticContact CD1-CE1 3.8Å; F504-Y522 HydrophobicContact CD1-CE1 3.8Å; F504-Y522 AromaticContact CD1-CE2 3.91Å; F504-Y522 HydrophobicContact CD1-CE2 3.91Å; F504-Y522 HydrophobicContact CD1-CG 4.02Å; F504-Y522 AromaticContact CD1-CZ 3.77Å; F504-Y522 AromaticContact CE1-CD1 3.81Å; F504-Y522 HydrophobicContact CE1-CD1 3.81Å; F504-Y522 HydrophobicContact CE1-CD2 4.36Å; F504-Y522 HydrophobicContact CE1-CE1 4.1Å; F504-Y522 AromaticContact CE1-CG 3.94Å; F504-Y522 HydrophobicContact CE1-CG 3.94Å; A506-Y522 WeakPolarHBondContact CB-OH 3.48Å; A507-Y522 HydrophobicContact CB-CE2 3.86Å; A507-Y522 PolarHBondContact N-OH 2.83Å; V517-Y522 HydrophobicContact CB-CE2 3.92Å; V517-Y522 HydrophobicContact CG1-CD2 3.76Å; V517-Y522 HydrophobicContact CG1-CE1 4.41Å; V517-Y522 HydrophobicContact CG1-CE2 3.54Å; V517-Y522 HydrophobicContact CG1-CG 4.3Å; T518-Y522 VanDerWaalsContact O-CD2 3.27Å; T518-Y522 WeakPolarHBondContact O-CD2 3.4Å; T518-Y522 PolarHBondContact O-N 3.35Å; T518-Y522 VanDerWaalsContact O-N 3.09Å; P519-Y522 PolarHBondContact O-N 2.77Å; E520-Y522 PolarHBondContact O-N 3.11Å; Y522-L525 HydrophobicContact CD1-CD1 4.44Å; Y522-L525 PolarHBondContact O-N 3.31Å; Y522-T526 WeakPolarHBondContact O-CB 3.33Å; Y522-T526 PolarHBondContact O-N 2.82Å; Y522-T526 PolarHBondContact O-OG1 3.42Å; Y522-S553 WeakPolarHBondContact CD2-OG 3.3Å
523A98.8Very high97.8Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-62.2-44.7170.300000112P519 E520 G521 T526 H527 M556 V560 P567P519-A523 PolarHBondContact O-N 3.42Å; P519-A523 VanDerWaalsContact O-N 3.15Å; E520-A523 WeakPolarHBondContact O-CB 3.32Å; E520-A523 PolarHBondContact O-N 2.91Å; E520-A523 VanDerWaalsContact O-N 3.17Å; G521-A523 VanDerWaalsContact C-N 3.31Å; G521-A523 PolarHBondContact O-N 3.1Å; A523-T526 WeakPolarHBondContact O-CB 3.46Å; A523-T526 PolarHBondContact O-N 3.4Å; A523-H527 WeakPolarHBondContact O-CB 3.31Å; A523-H527 PolarHBondContact O-N 3Å; A523-M556 HydrophobicContact CB-CB 3.95Å; A523-V560 HydrophobicContact CB-CG2 3.6Å; A523-P567 HydrophobicContact CB-CG 4.27Å
524H98.9Very high97.8Very high11 Ų1112.8 Ų12.85%0.0517%0.07CC..Hα-helixtrans-64.1-41.5175.6-79.8-104.6000112.4S142 L479 E520 G521 T526 H527 L528 P567S142-H524 PolarHBondContact O-CE1 3.2Å; L479-H524 HydrophobicContact CD2-CB 4.01Å; E520-H524 PolarHBondContact O-CD2 3.36Å; E520-H524 VanDerWaalsContact O-CD2 3.32Å; E520-H524 PolarHBondContact O-N 3.22Å; E520-H524 VanDerWaalsContact O-N 3.13Å; G521-H524 WeakPolarHBondContact O-CB 3.4Å; G521-H524 PolarHBondContact O-N 3.41Å; H524-T526 VanDerWaalsContact C-N 3.32Å; H524-T526 PolarHBondContact O-N 3.38Å; H524-H527 PolarHBondContact O-N 3.13Å; H524-L528 WeakPolarHBondContact O-CG 3.44Å; H524-L528 PolarHBondContact O-N 3.03Å; H524-P567 PolarHBondContact NE2-O 3.33Å
525L98.9Very high97.9Very high1 Ų111.8 Ų11.81%0.0056%0.06CC..Hα-helixtrans-59.8-43.8174.9-57.5-167.5000111.2W411 Y478 L479 F482 G521 Y522 L529W411-L525 HydrophobicContact CE3-CB 3.99Å; W411-L525 HydrophobicContact CE3-CD1 4.03Å; W411-L525 HydrophobicContact CZ3-CB 3.71Å; Y478-L525 HydrophobicContact CD1-CD1 3.95Å; L479-L525 HydrophobicContact CD2-CD2 3.89Å; L479-L525 HydrophobicContact CG-CD2 4.31Å; F482-L525 HydrophobicContact CD1-CB 4.44Å; F482-L525 HydrophobicContact CD1-CD2 3.89Å; F482-L525 HydrophobicContact CD2-CD2 3.77Å; F482-L525 HydrophobicContact CE1-CB 3.71Å; F482-L525 HydrophobicContact CE1-CD2 3.89Å; F482-L525 HydrophobicContact CE1-CG 4.22Å; F482-L525 HydrophobicContact CE2-CB 4.48Å; F482-L525 HydrophobicContact CE2-CD1 3.86Å; F482-L525 HydrophobicContact CE2-CD2 3.77Å; F482-L525 HydrophobicContact CE2-CG 4.22Å; F482-L525 HydrophobicContact CG-CD2 3.81Å; F482-L525 HydrophobicContact CZ-CB 3.71Å; F482-L525 HydrophobicContact CZ-CD1 3.81Å; F482-L525 HydrophobicContact CZ-CD2 3.8Å; F482-L525 HydrophobicContact CZ-CG 3.94Å; G521-L525 WeakPolarHBondContact O-CG 3.26Å; G521-L525 PolarHBondContact O-N 3.45Å; Y522-L525 HydrophobicContact CD1-CD1 4.44Å; Y522-L525 PolarHBondContact O-N 3.31Å; L525-L529 WeakPolarHBondContact O-CD1 3.41Å; L525-L529 VanDerWaalsContact O-CG 3.31Å; L525-L529 WeakPolarHBondContact O-CG 3.34Å; L525-L529 PolarHBondContact O-N 3.35Å
526T98.9Very high97.9Very high1 Ų113.4 Ų13.41%0.0067%0.066CC..Hα-helixtrans-60.6-46.9175.5-56.90000111.6W411 Y522 A523 H524 L528 L529 M530 I539 C557 V560 L561W411-T526 WeakPolarHBondContact CH2-OG1 3.27Å; Y522-T526 WeakPolarHBondContact O-CB 3.33Å; Y522-T526 PolarHBondContact O-N 2.82Å; Y522-T526 PolarHBondContact O-OG1 3.42Å; A523-T526 WeakPolarHBondContact O-CB 3.46Å; A523-T526 PolarHBondContact O-N 3.4Å; H524-T526 VanDerWaalsContact C-N 3.32Å; H524-T526 PolarHBondContact O-N 3.38Å; T526-L528 PolarHBondContact O-N 3.14Å; T526-L529 PolarHBondContact O-N 2.92Å; T526-M530 HydrophobicContact CG2-SD 4.29Å; T526-M530 WeakPolarHBondContact O-CG 3.42Å; T526-M530 PolarHBondContact O-N 3.3Å; T526-I539 HydrophobicContact CG2-CD1 3.87Å; T526-C557 PolarHBondContact OG1-SG 3.41Å; T526-V560 HydrophobicContact CG2-CB 4.22Å; T526-V560 HydrophobicContact CG2-CG1 3.93Å; T526-L561 HydrophobicContact CG2-CD2 3.9Å; T526-L561 HydrophobicContact CG2-CG 4.11Å
527H98.8Very high98Very high9 Ų99.1 Ų9.14%0.0425%0.046CC..Hα-helixtrans-59.6-44.6-178.4-175.187.8000112.2H138 A523 H524 L529 M530 V560 P566H138-H527 AromaticContact CD2-NE2 3.77Å; H138-H527 AromaticContact CE1-CE1 3.36Å; H138-H527 PolarHBondContact CE1-CE1 2.97Å; H138-H527 AromaticContact CE1-ND1 3.8Å; H138-H527 AromaticContact CE1-NE2 3.57Å; H138-H527 AromaticContact ND1-CE1 3.8Å; H138-H527 AromaticContact ND1-NE2 4Å; H138-H527 AromaticContact NE2-CD2 3.7Å; H138-H527 AromaticContact NE2-CE1 3.69Å; H138-H527 AromaticContact NE2-NE2 3.42Å; H138-H527 PolarHBondContact NE2-NE2 2.84Å; H138-H527 PolarHBondContact NE2-O 3.48Å; H138-H527 PolarHBondContact O-NE2 2.97Å; A523-H527 WeakPolarHBondContact O-CB 3.31Å; A523-H527 PolarHBondContact O-N 3Å; H524-H527 PolarHBondContact O-N 3.13Å; H527-L529 VanDerWaalsContact C-N 3.33Å; H527-L529 PolarHBondContact O-N 2.79Å; H527-M530 PolarHBondContact O-N 3.44Å; H527-V560 HydrophobicContact CB-CG1 3.78Å; H527-P566 HydrophobicContact CB-CG 3.61Å; H527-P566 WeakPolarHBondContact ND1-CG 3.45Å
528L98.7Very high98Very high10 Ų109.1 Ų9.15%0.0525%0.046CC..Hα-helixtrans-58.8-44.9177.5-70.3171.4000111.1L98 L479 F482 M487 H524 T526 M530 S531L98-L528 HydrophobicContact CD1-CD2 4.31Å; L479-L528 HydrophobicContact CD2-CD1 3.98Å; F482-L528 HydrophobicContact CB-CD1 3.98Å; F482-L528 HydrophobicContact CD1-CB 4.31Å; F482-L528 HydrophobicContact CD1-CD1 3.88Å; F482-L528 HydrophobicContact CG-CD1 4.36Å; M487-L528 HydrophobicContact CE-CB 4.34Å; M487-L528 WeakPolarHBondContact CE-O 3.38Å; M487-L528 HydrophobicContact CG-CB 4.17Å; M487-L528 HydrophobicContact SD-CB 3.91Å; H524-L528 WeakPolarHBondContact O-CG 3.44Å; H524-L528 PolarHBondContact O-N 3.03Å; T526-L528 PolarHBondContact O-N 3.14Å; L528-M530 VanDerWaalsContact C-N 3.3Å; L528-M530 PolarHBondContact O-N 3.2Å; L528-S531 PolarHBondContact O-N 2.93Å; L528-S531 PolarHBondContact O-OG 3.38Å
529L98.8Very high98Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-67.7-27-178.3-61.9165.2000113.7L409 W411 F482 M487 V500 L525 T526 H527 S531 L532L409-L529 HydrophobicContact CD2-CD1 3.4Å; L409-L529 HydrophobicContact CD2-CD2 3.67Å; L409-L529 HydrophobicContact CD2-CG 4.1Å; W411-L529 HydrophobicContact CZ3-CD1 4.04Å; F482-L529 HydrophobicContact CE1-CD1 4.18Å; F482-L529 HydrophobicContact CE1-CD2 4.23Å; F482-L529 HydrophobicContact CE1-CG 4.08Å; M487-L529 HydrophobicContact SD-CD2 3.94Å; V500-L529 HydrophobicContact CG2-CD1 3.94Å; L525-L529 WeakPolarHBondContact O-CD1 3.41Å; L525-L529 VanDerWaalsContact O-CG 3.31Å; L525-L529 WeakPolarHBondContact O-CG 3.34Å; L525-L529 PolarHBondContact O-N 3.35Å; T526-L529 PolarHBondContact O-N 2.92Å; H527-L529 VanDerWaalsContact C-N 3.33Å; H527-L529 PolarHBondContact O-N 2.79Å; L529-S531 PolarHBondContact O-N 3.1Å; L529-S531 VanDerWaalsContact O-N 3.13Å; L529-L532 HydrophobicContact CD2-CD1 4.16Å; L529-L532 WeakPolarHBondContact O-CB 3.35Å; L529-L532 PolarHBondContact O-N 2.69Å
530M98.3Very high98Very high15 Ų157.5 Ų7.57%0.0744%0.036CC..THydrogen-bonded Turntrans-65.5-10.7176.3-72.6173.562.700113.9T526 H527 L528 L532 G535 V537 V560 L561T526-M530 HydrophobicContact CG2-SD 4.29Å; T526-M530 WeakPolarHBondContact O-CG 3.42Å; T526-M530 PolarHBondContact O-N 3.3Å; H527-M530 PolarHBondContact O-N 3.44Å; L528-M530 VanDerWaalsContact C-N 3.3Å; L528-M530 PolarHBondContact O-N 3.2Å; M530-L532 PolarHBondContact O-N 3.24Å; M530-G535 WeakPolarHBondContact O-CA 3.05Å; M530-V537 HydrophobicContact CG-CG2 4.13Å; M530-V560 WeakPolarHBondContact CE-O 3.4Å; M530-V560 HydrophobicContact SD-CG1 3.79Å; M530-L561 HydrophobicContact CG-CD2 4.24Å; M530-L561 HydrophobicContact SD-CD2 3.94Å
531S97.1Very high98Very high3 Ų34.7 Ų4.72%0.0212%0.023CC..THydrogen-bonded Turntrans-77.4-6.6170.694.70000113.9L528 L529L528-S531 PolarHBondContact O-N 2.93Å; L528-S531 PolarHBondContact O-OG 3.38Å; L529-S531 PolarHBondContact O-N 3.1Å; L529-S531 VanDerWaalsContact O-N 3.13Å
532L97.3Very high98Very high1 Ų14.7 Ų4.71%0.0052%0.023CC..SBendtrans-105.3164-177-57.4168.7000111L180 L407 M487 A490 A491 P495 V498 L529 M530 G534 G535L180-L532 HydrophobicContact CD1-CD2 4.3Å; L407-L532 HydrophobicContact CD2-CD1 4.08Å; M487-L532 HydrophobicContact CE-CD1 3.91Å; M487-L532 HydrophobicContact CE-CD2 4.24Å; M487-L532 HydrophobicContact CE-CG 3.94Å; M487-L532 HydrophobicContact SD-CD1 4.23Å; A490-L532 HydrophobicContact CB-CD1 3.58Å; A490-L532 HydrophobicContact CB-CD2 4.35Å; A491-L532 HydrophobicContact CB-CD2 4.31Å; P495-L532 HydrophobicContact CG-CB 4.2Å; V498-L532 HydrophobicContact CG2-CB 3.97Å; V498-L532 HydrophobicContact CG2-CD1 4.42Å; L529-L532 HydrophobicContact CD2-CD1 4.16Å; L529-L532 WeakPolarHBondContact O-CB 3.35Å; L529-L532 PolarHBondContact O-N 2.69Å; M530-L532 PolarHBondContact O-N 3.24Å; L532-G534 PolarHBondContact O-N 2.84Å; L532-G535 PolarHBondContact O-N 2.95Å
533A95.6Very high98Very high1 Ų14.7 Ų4.71%0.0082%0.023CC..G310 helixtrans53.719.3173.200000116.2P495 V498 R536P495-A533 HydrophobicContact CG-CB 4.49Å; P495-A533 WeakPolarHBondContact O-CA 3.4Å; P495-A533 WeakPolarHBondContact O-CB 3.37Å; V498-A533 HydrophobicContact CG2-CB 3.95Å; A533-R536 HydrophobicContact CB-CB 4.12Å; A533-R536 WeakPolarHBondContact O-CB 3.33Å; A533-R536 WeakPolarHBondContact O-CG 3.38Å; A533-R536 VanDerWaalsContact O-CZ 3.24Å; A533-R536 PolarHBondContact O-N 3.48Å; A533-R536 PolarHBondContact O-NE 3.46Å; A533-R536 PolarHBondContact O-NH2 2.85Å
534G93.1Very high98Very high2 Ų24.7 Ų4.72%0.0212%0.023CC..G310 helixtrans66.934.5-171.900000113.6C177 L532 R536C177-G534 CarbonylContact O-C 3.54Å; C177-G534 WeakPolarHBondContact O-CA 3.45Å; L532-G534 PolarHBondContact O-N 2.84Å; G534-R536 VanDerWaalsContact C-N 3.27Å; G534-R536 PolarHBondContact O-N 3.3Å
535G95.5Very high97.9Very high3 Ų34.8 Ų4.83%0.0312%0.023CC..G310 helixtrans78.8-0.5-173.900000115.1M530 L532 V537M530-G535 WeakPolarHBondContact O-CA 3.05Å; L532-G535 PolarHBondContact O-N 2.95Å; G535-V537 VanDerWaalsContact C-N 3.32Å; G535-V537 PolarHBondContact O-N 2.89Å
536R97.8Very high97.9Very high40 Ų407 Ų715%0.1514%0.035CC..  trans-73.581-178.8-65.2-169.9-64.6-99.6-9.8112.5I355 S361 G496 L497 V498 A533 G534I355-R536 HydrophobicContact CG2-CB 3.72Å; I355-R536 HydrophobicContact CG2-CG 3.63Å; S361-R536 WeakPolarHBondContact O-CA 3.4Å; G496-R536 VanDerWaalsContact O-CZ 3.25Å; G496-R536 PolarHBondContact O-NE 2.84Å; G496-R536 PolarHBondContact O-NH2 2.96Å; L497-R536 HydrophobicContact CD1-CB 4.24Å; V498-R536 PolarHBondContact N-O 3.33Å; A533-R536 HydrophobicContact CB-CB 4.12Å; A533-R536 WeakPolarHBondContact O-CB 3.33Å; A533-R536 WeakPolarHBondContact O-CG 3.38Å; A533-R536 VanDerWaalsContact O-CZ 3.24Å; A533-R536 PolarHBondContact O-N 3.48Å; A533-R536 PolarHBondContact O-NE 3.46Å; A533-R536 PolarHBondContact O-NH2 2.85Å; G534-R536 VanDerWaalsContact C-N 3.27Å; G534-R536 PolarHBondContact O-N 3.3Å
537V98.8Very high97.9Very high0 Ų09 Ų90%05%0.045CC..EExtended strand (participates in β ladder)trans-111.8132.1176.7-173.50000109.9N362 G363 V498 V500 M530 G535 I539 L561N362-V537 CarbonylContact C-O 3.56Å; N362-V537 VanDerWaalsContact CA-O 3.27Å; N362-V537 WeakPolarHBondContact CA-O 3.43Å; N362-V537 VanDerWaalsContact CB-O 3.25Å; N362-V537 WeakPolarHBondContact CB-O 3.28Å; G363-V537 PolarHBondContact N-O 2.85Å; V498-V537 HydrophobicContact CB-CG2 4.23Å; V498-V537 HydrophobicContact CG1-CG1 4.38Å; V498-V537 CarbonylContact O-C 3.6Å; V498-V537 WeakPolarHBondContact O-CA 3.17Å; V500-V537 HydrophobicContact CG2-CG1 3.99Å; M530-V537 HydrophobicContact CG-CG2 4.13Å; G535-V537 VanDerWaalsContact C-N 3.32Å; G535-V537 PolarHBondContact O-N 2.89Å; V537-I539 HydrophobicContact CG1-CG1 4.24Å; V537-L561 HydrophobicContact CB-CD2 4.27Å; V537-L561 HydrophobicContact CG1-CD2 4.42Å
538L98.9Very high97.9Very high0 Ų013 Ų130%07%0.07CC..EExtended strand (participates in β ladder)trans-118.6119.3166174.456000110C348 V351 V352 I355 G363 A365 T391 V498 L499 V500 I540C348-L538 HydrophobicContact CB-CD2 4.32Å; V351-L538 HydrophobicContact CB-CD1 4.18Å; V351-L538 HydrophobicContact CB-CD2 4.29Å; V351-L538 HydrophobicContact CG1-CD1 3.61Å; V351-L538 HydrophobicContact CG1-CD2 4.32Å; V352-L538 HydrophobicContact CG2-CD2 3.52Å; I355-L538 HydrophobicContact CD1-CB 4.19Å; G363-L538 WeakPolarHBondContact O-CA 3.11Å; G363-L538 WeakPolarHBondContact O-CD1 3.2Å; A365-L538 HydrophobicContact CB-CD1 4.26Å; T391-L538 HydrophobicContact CG2-CD2 4.24Å; V498-L538 PolarHBondContact O-N 2.91Å; L499-L538 WeakPolarHBondContact CA-O 3.28Å; L499-L538 HydrophobicContact CD2-CB 3.88Å; L499-L538 HydrophobicContact CD2-CD2 4.2Å; L499-L538 HydrophobicContact CD2-CG 4.42Å; V500-L538 PolarHBondContact N-O 3.25Å; L538-I540 HydrophobicContact CD2-CD1 4.3Å; L538-I540 HydrophobicContact CD2-CG1 4.21Å; L538-I540 HydrophobicContact CG-CD1 4.39Å; L538-I540 HydrophobicContact CG-CG1 3.88Å
539I98.9Very high97.8Very high0 Ų013.3 Ų13.30%07%0.073CC..EExtended strand (participates in β ladder)trans-91.2122.1174.7-60.3-175.6000109.1G363 V364 A365 V500 A502 T526 V537 M554 C557 L561G363-I539 PolarHBondContact O-N 3.4Å; V364-I539 WeakPolarHBondContact CA-O 3.38Å; V364-I539 HydrophobicContact CG2-CB 4.41Å; V364-I539 HydrophobicContact CG2-CG2 4.48Å; A365-I539 PolarHBondContact N-O 3.26Å; V500-I539 HydrophobicContact CB-CG1 4.34Å; V500-I539 HydrophobicContact CG2-CG1 4.32Å; A502-I539 HydrophobicContact CB-CG2 3.49Å; A502-I539 VanDerWaalsContact CB-CG2 3.49Å; T526-I539 HydrophobicContact CG2-CD1 3.87Å; V537-I539 HydrophobicContact CG1-CG1 4.24Å; I539-M554 HydrophobicContact CG2-CE 4.17Å; I539-M554 HydrophobicContact CG2-SD 3.9Å; I539-C557 HydrophobicContact CD1-CB 3.69Å; I539-L561 HydrophobicContact CD1-CD1 3.81Å; I539-L561 HydrophobicContact CD1-CD2 4.32Å; I539-L561 HydrophobicContact CD1-CG 4.09Å; I539-L561 HydrophobicContact CG1-CD1 4.13Å
540I98.9Very high97.8Very high0 Ų013.3 Ų13.30%07%0.073CC..EExtended strand (participates in β ladder)trans-117118-176.3-54.9177.1000108.4C348 V367 T387 A388 T391 V500 A502 L538 E542C348-I540 HydrophobicContact CB-CD1 4.42Å; V367-I540 HydrophobicContact CG2-CG2 3.92Å; T387-I540 HydrophobicContact CG2-CG2 3.78Å; A388-I540 HydrophobicContact CB-CD1 4.38Å; T391-I540 HydrophobicContact CG2-CD1 4.4Å; V500-I540 PolarHBondContact O-N 2.82Å; A502-I540 WeakPolarHBondContact CA-O 3.29Å; A502-I540 VanDerWaalsContact CB-O 3.24Å; A502-I540 WeakPolarHBondContact CB-O 3.03Å; A502-I540 PolarHBondContact N-O 2.84Å; L538-I540 HydrophobicContact CD2-CD1 4.3Å; L538-I540 HydrophobicContact CD2-CG1 4.21Å; L538-I540 HydrophobicContact CG-CD1 4.39Å; L538-I540 HydrophobicContact CG-CG1 3.88Å; I540-E542 PolarHBondContact O-N 2.89Å
541L98.9Very high97.9Very high1 Ų112.9 Ų12.91%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-63124.3179.4-178.965.2000111.8I269 I272 A365 F504 M554I269-L541 HydrophobicContact CG2-CD2 3.78Å; I272-L541 HydrophobicContact CD1-CD1 4Å; I272-L541 HydrophobicContact CD1-CD2 3.57Å; I272-L541 HydrophobicContact CD1-CG 4.46Å; A365-L541 PolarHBondContact O-N 2.94Å; A365-L541 VanDerWaalsContact O-N 3.1Å; F504-L541 HydrophobicContact CD2-CD1 3.79Å; F504-L541 HydrophobicContact CE2-CD1 4Å; L541-M554 HydrophobicContact CB-CE 3.86Å; L541-M554 HydrophobicContact CD1-CE 4.22Å
542E98.9Very high97.9Very high1 Ų114.9 Ų14.91%0.0058%0.082CC..  trans-109.8-109.9172.8-66-70.1161.200109.6R268 P370 G371 H372 A502 I540R268-E542 PolarHBondContact NH2-O 3.25Å; P370-E542 WeakPolarHBondContact CB-OE2 3.34Å; G371-E542 PolarHBondContact N-OE2 3.14Å; H372-E542 HydrophobicContact CB-CG 4.41Å; H372-E542 IonicContact CD2-OE2 3.48Å; H372-E542 PolarHBondContact CD2-OE2 3.07Å; H372-E542 IonicContact CG-OE2 2.78Å; H372-E542 PolarHBondContact N-OE2 2.84Å; A502-E542 PolarHBondContact O-N 3.14Å; A502-E542 VanDerWaalsContact O-N 3.11Å; I540-E542 PolarHBondContact O-N 2.89Å
543G98.1Very high98Very high0 Ų014.8 Ų14.80%08%0.082CC..  trans-79.9-158.3177.600000115.9R268 D412 F504 Y545R268-G543 VanDerWaalsContact NH2-C 3.25Å; R268-G543 PolarHBondContact NH2-O 3.4Å; D412-G543 WeakPolarHBondContact OD2-CA 3.32Å; D412-G543 PolarHBondContact OD2-N 3.35Å; F504-G543 PolarHBondContact N-O 2.81Å; G543-Y545 WeakPolarHBondContact CA-OH 3.48Å
544G98.3Very high98.2Very high0 Ų014.8 Ų14.80%08%0.081CC..  trans90.6123.2-170.700000113.5R268 F504 D505 I550R268-G544 PolarHBondContact NE-O 2.91Å; R268-G544 PolarHBondContact NH2-O 3.24Å; R268-G544 VanDerWaalsContact NH2-O 3.11Å; F504-G544 VanDerWaalsContact C-CA 3.41Å; D505-G544 VanDerWaalsContact N-CA 3.31Å; D505-G544 PolarHBondContact OD2-N 2.96Å; G544-I550 WeakPolarHBondContact O-CG2 3.31Å
545Y98.4Very high98.4Very high13 Ų1314.7 Ų14.75%0.0518%0.081CC..  trans-132.8-16.1-161.9-51.2-73000113.7P263 E264 F382 D505 D510 L512 G543 L547P263-Y545 HydrophobicContact CB-CD1 3.76Å; P263-Y545 HydrophobicContact CB-CG 3.86Å; P263-Y545 WeakPolarHBondContact O-CD1 3.1Å; E264-Y545 HydrophobicContact CB-CE1 4.25Å; E264-Y545 HydrophobicContact CG-CE1 4.38Å; F382-Y545 HydrophobicContact CD2-CE1 4.19Å; F382-Y545 HydrophobicContact CE2-CE1 4.04Å; F382-Y545 AromaticContact CE2-CZ 3.91Å; D505-Y545 HydrophobicContact CB-CD2 4Å; D505-Y545 HydrophobicContact CB-CE2 3.94Å; D505-Y545 WeakPolarHBondContact OD2-CE2 3.41Å; D510-Y545 WeakPolarHBondContact OD2-CA 3.21Å; D510-Y545 PolarHBondContact OD2-N 2.79Å; L512-Y545 HydrophobicContact CB-CD2 4.17Å; L512-Y545 HydrophobicContact CB-CE2 4.48Å; L512-Y545 HydrophobicContact CD1-CD2 3.54Å; L512-Y545 HydrophobicContact CD1-CE2 3.58Å; L512-Y545 HydrophobicContact CD1-CG 4.14Å; L512-Y545 HydrophobicContact CG-CD2 3.8Å; L512-Y545 HydrophobicContact CG-CE2 4.27Å; L512-Y545 HydrophobicContact CG-CG 4.41Å; G543-Y545 WeakPolarHBondContact CA-OH 3.48Å; Y545-L547 PolarHBondContact O-N 3.49Å
546N98.4Very high98.6Very high48 Ų4816.9 Ų16.926%0.2579%0.09SC..  trans-75.5107.9162.1-175.9-39.3000110.4G509 D510 T548 S549 I550G509-N546 WeakPolarHBondContact O-CB 3.44Å; G509-N546 PolarHBondContact O-ND2 3.31Å; D510-N546 PolarHBondContact OD2-N 3.25Å; N546-T548 PolarHBondContact O-N 2.98Å; N546-T548 WeakPolarHBondContact OD1-CB 3.26Å; N546-T548 PolarHBondContact OD1-N 3.01Å; N546-S549 PolarHBondContact O-N 2.81Å; N546-S549 PolarHBondContact OD1-N 3.18Å; N546-I550 WeakPolarHBondContact O-CG1 3.31Å; N546-I550 WeakPolarHBondContact O-CG2 3.4Å; N546-I550 PolarHBondContact O-N 3.34Å
547L98.4Very high98.7Very high43 Ų4315 Ų1523%0.2258%0.083CC..Hα-helixtrans-55.1-26.5-176.8-64.3-178.8000114.8Q265 Q267 R268 K271 Y545 I550 S551Q265-L547 HydrophobicContact CG-CD2 4.18Å; Q267-L547 HydrophobicContact CB-CD1 3.99Å; Q267-L547 HydrophobicContact CB-CD2 4.14Å; R268-L547 HydrophobicContact CB-CD2 4.37Å; R268-L547 HydrophobicContact CG-CD2 3.9Å; K271-L547 HydrophobicContact CG-CB 4.42Å; K271-L547 HydrophobicContact CG-CD1 4.32Å; Y545-L547 PolarHBondContact O-N 3.49Å; L547-I550 HydrophobicContact CD2-CD1 4.12Å; L547-S551 WeakPolarHBondContact O-CB 3.44Å; L547-S551 PolarHBondContact O-OG 2.96Å
548T98.3Very high98.7Very high91 Ų9115 Ų1556%0.5588%0.083SC*.Hα-helixtrans-79.6-56.5176.4-500000109.7N546 I550 S551 D552N546-T548 PolarHBondContact O-N 2.98Å; N546-T548 WeakPolarHBondContact OD1-CB 3.26Å; N546-T548 PolarHBondContact OD1-N 3.01Å; T548-I550 VanDerWaalsContact C-N 3.34Å; T548-I550 PolarHBondContact O-N 3.4Å; T548-S551 WeakPolarHBondContact O-CB 3.4Å; T548-S551 PolarHBondContact O-N 3.28Å; T548-D552 PolarHBondContact O-N 3.04Å
549S97.9Very high98.6Very high17 Ų1716.2 Ų16.212%0.1199%0.092CC..Hα-helixtrans-57.4-42.9-177.3-50.80000112.4R508 N546 S551 D552 S553R508-S549 PolarHBondContact O-OG 3.3Å; N546-S549 PolarHBondContact O-N 2.81Å; N546-S549 PolarHBondContact OD1-N 3.18Å; S549-S551 VanDerWaalsContact C-N 3.31Å; S549-S551 PolarHBondContact O-N 3.4Å; S549-D552 PolarHBondContact O-N 2.88Å; S549-S553 WeakPolarHBondContact O-CB 3.45Å; S549-S553 PolarHBondContact O-N 2.89Å; S549-S553 PolarHBondContact O-OG 2.98Å; S549-S553 VanDerWaalsContact O-OG 3.05Å
550I98.6Very high98.6Very high0 Ų016.4 Ų16.40%09%0.093CC..Hα-helixtrans-65.3-34.3177.470.1-175.7000112.9R268 I272 F504 G544 N546 L547 T548 M554R268-I550 HydrophobicContact CB-CD1 3.8Å; R268-I550 HydrophobicContact CG-CD1 3.88Å; I272-I550 HydrophobicContact CD1-CB 4.3Å; I272-I550 HydrophobicContact CD1-CD1 4.07Å; I272-I550 HydrophobicContact CD1-CG1 4.03Å; I272-I550 HydrophobicContact CG1-CB 4.48Å; I272-I550 HydrophobicContact CG1-CD1 4.3Å; I272-I550 HydrophobicContact CG1-CG1 3.93Å; F504-I550 HydrophobicContact CB-CB 4.07Å; F504-I550 HydrophobicContact CB-CG2 3.72Å; G544-I550 WeakPolarHBondContact O-CG2 3.31Å; N546-I550 WeakPolarHBondContact O-CG1 3.31Å; N546-I550 WeakPolarHBondContact O-CG2 3.4Å; N546-I550 PolarHBondContact O-N 3.34Å; L547-I550 HydrophobicContact CD2-CD1 4.12Å; T548-I550 VanDerWaalsContact C-N 3.34Å; T548-I550 PolarHBondContact O-N 3.4Å; I550-M554 WeakPolarHBondContact O-CB 3.41Å; I550-M554 PolarHBondContact O-N 3.05Å
551S98.8Very high98.6Very high7 Ų716.4 Ų16.45%0.0499%0.093CC..Hα-helixtrans-74.4-42-178.6-60.40000110.7K271 I272 L547 T548 S549 A555K271-S551 VanDerWaalsContact C-OG 3.27Å; K271-S551 PolarHBondContact O-OG 3.46Å; I272-S551 PolarHBondContact N-OG 3.25Å; L547-S551 WeakPolarHBondContact O-CB 3.44Å; L547-S551 PolarHBondContact O-OG 2.96Å; T548-S551 WeakPolarHBondContact O-CB 3.4Å; T548-S551 PolarHBondContact O-N 3.28Å; S549-S551 VanDerWaalsContact C-N 3.31Å; S549-S551 PolarHBondContact O-N 3.4Å; S551-A555 WeakPolarHBondContact O-CB 3.49Å; S551-A555 PolarHBondContact O-N 2.93Å; S551-A555 VanDerWaalsContact O-N 3.1Å
552D98.8Very high98.5Very high44 Ų4417.3 Ų17.324%0.23510%0.098CC..Hα-helixtrans-67.3-47.7176.7-67.1-25.5000111.2K275 P519 T548 S549 A555 M556K275-D552 WeakPolarHBondContact CE-OD1 3.15Å; K275-D552 IonicContact NZ-OD1 3.47Å; K275-D552 PolarHBondContact NZ-OD1 3.16Å; P519-D552 HydrophobicContact CB-CB 4.12Å; P519-D552 HydrophobicContact CG-CB 3.76Å; T548-D552 PolarHBondContact O-N 3.04Å; S549-D552 PolarHBondContact O-N 2.88Å; D552-A555 PolarHBondContact O-N 3.49Å; D552-M556 WeakPolarHBondContact O-CG 3.39Å; D552-M556 PolarHBondContact O-N 3.33Å
553S98.9Very high98.3Very high0 Ų019.1 Ų19.10%012%0.117CC..Hα-helixtrans-64.2-45.7179.2-61.80000112.8P519 Y522 S549 A555 M556 C557P519-S553 WeakPolarHBondContact CA-OG 3.43Å; Y522-S553 WeakPolarHBondContact CD2-OG 3.3Å; S549-S553 WeakPolarHBondContact O-CB 3.45Å; S549-S553 PolarHBondContact O-N 2.89Å; S549-S553 PolarHBondContact O-OG 2.98Å; S549-S553 VanDerWaalsContact O-OG 3.05Å; S553-A555 VanDerWaalsContact C-N 3.29Å; S553-A555 PolarHBondContact O-N 3.22Å; S553-M556 PolarHBondContact O-N 3.32Å; S553-C557 PolarHBondContact O-N 3.46Å; S553-C557 PolarHBondContact O-SG 3.5Å
554M98.9Very high98.3Very high0 Ų021.5 Ų21.50%013%0.129CC..Hα-helixtrans-65.5-33.5177.4-173.163.4111.800112.2I272 V364 F504 I539 L541 I550 T558I272-M554 HydrophobicContact CG1-CB 4.47Å; I272-M554 HydrophobicContact CG2-CB 3.88Å; I272-M554 HydrophobicContact CG2-CG 3.58Å; V364-M554 HydrophobicContact CG2-CE 3.72Å; V364-M554 HydrophobicContact CG2-CG 4.32Å; V364-M554 HydrophobicContact CG2-SD 3.5Å; V364-M554 WeakPolarHBondContact CG2-SD 3.4Å; F504-M554 HydrophobicContact CD2-CB 4.43Å; F504-M554 HydrophobicContact CE2-CB 3.72Å; F504-M554 HydrophobicContact CE2-CE 3.85Å; F504-M554 HydrophobicContact CE2-CG 4.2Å; F504-M554 HydrophobicContact CE2-SD 3.67Å; F504-M554 HydrophobicContact CZ-CB 3.96Å; F504-M554 HydrophobicContact CZ-CE 4.44Å; F504-M554 HydrophobicContact CZ-CG 4.48Å; F504-M554 HydrophobicContact CZ-SD 3.75Å; I539-M554 HydrophobicContact CG2-CE 4.17Å; I539-M554 HydrophobicContact CG2-SD 3.9Å; L541-M554 HydrophobicContact CB-CE 3.86Å; L541-M554 HydrophobicContact CD1-CE 4.22Å; I550-M554 WeakPolarHBondContact O-CB 3.41Å; I550-M554 PolarHBondContact O-N 3.05Å; M554-T558 WeakPolarHBondContact O-CB 2.82Å; M554-T558 PolarHBondContact O-N 2.91Å; M554-T558 PolarHBondContact O-OG1 3.49Å
555A98.9Very high98.1Very high1 Ų124 Ų241%0.00815%0.15CC..Hα-helixtrans-66.6-42.1174.300000112K275 L276 Q279 L281 S551 D552 S553 T558 S559K275-A555 HydrophobicContact CG-CB 4.12Å; L276-A555 HydrophobicContact CD1-CB 3.78Å; L276-A555 HydrophobicContact CG-CB 4.46Å; Q279-A555 VanDerWaalsContact OE1-CB 3.22Å; L281-A555 HydrophobicContact CD1-CB 4.07Å; L281-A555 WeakPolarHBondContact CD1-O 3.37Å; S551-A555 WeakPolarHBondContact O-CB 3.49Å; S551-A555 PolarHBondContact O-N 2.93Å; S551-A555 VanDerWaalsContact O-N 3.1Å; D552-A555 PolarHBondContact O-N 3.49Å; S553-A555 VanDerWaalsContact C-N 3.29Å; S553-A555 PolarHBondContact O-N 3.22Å; A555-T558 PolarHBondContact O-N 2.94Å; A555-S559 WeakPolarHBondContact O-CB 3.35Å; A555-S559 PolarHBondContact O-N 3.09Å
556M98.8Very high97.9Very high48 Ų4823.4 Ų23.424%0.23615%0.148CC..Hα-helixtrans-61.1-45.7174.3-73.1-64.6165.300111.9P519 A523 D552 S553 T558 S559 V560 P567P519-M556 HydrophobicContact CB-CB 4.45Å; P519-M556 HydrophobicContact CB-CG 3.79Å; P519-M556 VanDerWaalsContact O-CB 3.28Å; P519-M556 WeakPolarHBondContact O-CB 3.39Å; A523-M556 HydrophobicContact CB-CB 3.95Å; D552-M556 WeakPolarHBondContact O-CG 3.39Å; D552-M556 PolarHBondContact O-N 3.33Å; S553-M556 PolarHBondContact O-N 3.32Å; M556-T558 VanDerWaalsContact C-N 3.33Å; M556-T558 PolarHBondContact O-N 3.09Å; M556-S559 PolarHBondContact O-N 2.89Å; M556-V560 PolarHBondContact O-N 2.74Å; M556-V560 VanDerWaalsContact O-N 3.11Å; M556-P567 HydrophobicContact SD-CG 4.19Å
557C98.9Very high97.8Very high0 Ų022.8 Ų22.80%015%0.146CC..Hα-helixtrans-56.5-45.5171.5-63.60000112.3T526 I539 S553 V560 L561T526-C557 PolarHBondContact OG1-SG 3.41Å; I539-C557 HydrophobicContact CD1-CB 3.69Å; S553-C557 PolarHBondContact O-N 3.46Å; S553-C557 PolarHBondContact O-SG 3.5Å; C557-V560 PolarHBondContact O-N 3.34Å; C557-L561 WeakPolarHBondContact O-CG 2.86Å; C557-L561 PolarHBondContact O-N 2.94Å
558T98.9Very high97.5Very high0 Ų023.7 Ų23.70%016%0.157CC..Hα-helixtrans-67.8-37.6-177.9-54.70000112.2L276 L281 V364 M554 A555 M556 L561 L562L276-T558 HydrophobicContact CD2-CG2 3.89Å; L276-T558 HydrophobicContact CG-CG2 4.5Å; L281-T558 HydrophobicContact CB-CG2 4.36Å; V364-T558 HydrophobicContact CG1-CG2 4.11Å; M554-T558 WeakPolarHBondContact O-CB 2.82Å; M554-T558 PolarHBondContact O-N 2.91Å; M554-T558 PolarHBondContact O-OG1 3.49Å; A555-T558 PolarHBondContact O-N 2.94Å; M556-T558 VanDerWaalsContact C-N 3.33Å; M556-T558 PolarHBondContact O-N 3.09Å; T558-L561 PolarHBondContact O-N 3.19Å; T558-L562 HydrophobicContact CG2-CD1 4.2Å; T558-L562 WeakPolarHBondContact O-CB 3.17Å; T558-L562 WeakPolarHBondContact O-CD1 3.48Å; T558-L562 WeakPolarHBondContact O-CG 3.44Å; T558-L562 PolarHBondContact O-N 2.66Å; T558-L562 VanDerWaalsContact O-N 3.09Å
559S98.6Very high97.3Very high27 Ų2720.1 Ų20.119%0.18913%0.134CC..Hα-helixtrans-60.7-44.8174.9-173.30000111.2A555 M556 L562 G563 D564A555-S559 WeakPolarHBondContact O-CB 3.35Å; A555-S559 PolarHBondContact O-N 3.09Å; M556-S559 PolarHBondContact O-N 2.89Å; S559-L562 WeakPolarHBondContact O-CB 3.45Å; S559-L562 PolarHBondContact O-N 2.67Å; S559-G563 PolarHBondContact O-N 3.3Å; S559-D564 VanDerWaalsContact O-CB 3.29Å; S559-D564 WeakPolarHBondContact O-CB 3.4Å; S559-D564 PolarHBondContact O-N 2.88Å; S559-D564 VanDerWaalsContact OG-CB 3.32Å; S559-D564 WeakPolarHBondContact OG-CB 3.36Å; S559-D564 PolarHBondContact OG-OD2 2.84Å
560V98.4Very high97Very high3 Ų322.2 Ų22.22%0.01815%0.152CC..Hα-helixtrans-67.6-41.2175.4172.90000112.3A523 T526 H527 M530 M556 C557 L562 G563 P566A523-V560 HydrophobicContact CB-CG2 3.6Å; T526-V560 HydrophobicContact CG2-CB 4.22Å; T526-V560 HydrophobicContact CG2-CG1 3.93Å; H527-V560 HydrophobicContact CB-CG1 3.78Å; M530-V560 WeakPolarHBondContact CE-O 3.4Å; M530-V560 HydrophobicContact SD-CG1 3.79Å; M556-V560 PolarHBondContact O-N 2.74Å; M556-V560 VanDerWaalsContact O-N 3.11Å; C557-V560 PolarHBondContact O-N 3.34Å; V560-L562 PolarHBondContact O-N 2.94Å; V560-G563 PolarHBondContact O-N 3.08Å; V560-P566 HydrophobicContact CG2-CG 4.32Å
561L98.4Very high96.6Very high0 Ų026.6 Ų26.60%018%0.179CC..Hα-helixtrans-57.8-33.3173.5-72.3-176.9000112.8T243 N362 G363 V364 T526 M530 V537 I539 C557 T558 G563T243-L561 HydrophobicContact CG2-CB 3.89Å; T243-L561 HydrophobicContact CG2-CD1 4.26Å; T243-L561 PolarHBondContact OG1-O 3.17Å; N362-L561 HydrophobicContact CB-CD2 4.08Å; N362-L561 PolarHBondContact ND2-O 2.94Å; N362-L561 PolarHBondContact OD1-O 2.87Å; G363-L561 WeakPolarHBondContact O-CD1 3.15Å; V364-L561 HydrophobicContact CB-CD1 4.29Å; T526-L561 HydrophobicContact CG2-CD2 3.9Å; T526-L561 HydrophobicContact CG2-CG 4.11Å; M530-L561 HydrophobicContact CG-CD2 4.24Å; M530-L561 HydrophobicContact SD-CD2 3.94Å; V537-L561 HydrophobicContact CB-CD2 4.27Å; V537-L561 HydrophobicContact CG1-CD2 4.42Å; I539-L561 HydrophobicContact CD1-CD1 3.81Å; I539-L561 HydrophobicContact CD1-CD2 4.32Å; I539-L561 HydrophobicContact CD1-CG 4.09Å; I539-L561 HydrophobicContact CG1-CD1 4.13Å; C557-L561 WeakPolarHBondContact O-CG 2.86Å; C557-L561 PolarHBondContact O-N 2.94Å; T558-L561 PolarHBondContact O-N 3.19Å; L561-G563 PolarHBondContact O-N 2.86Å
562L97.4Very high96.2Very high21 Ų2131.7 Ų31.711%0.1121%0.212CC..THydrogen-bonded Turntrans-78.61.2176-75165.7000114.1T243 L281 R284 T558 S559 V560T243-L562 HydrophobicContact CG2-CD2 4.44Å; T243-L562 HydrophobicContact CG2-CG 4.41Å; L281-L562 HydrophobicContact CB-CD1 4.24Å; L281-L562 HydrophobicContact CD2-CD1 4Å; R284-L562 HydrophobicContact CB-CD1 3.86Å; R284-L562 HydrophobicContact CB-CD2 3.83Å; T558-L562 HydrophobicContact CG2-CD1 4.2Å; T558-L562 WeakPolarHBondContact O-CB 3.17Å; T558-L562 WeakPolarHBondContact O-CD1 3.48Å; T558-L562 WeakPolarHBondContact O-CG 3.44Å; T558-L562 PolarHBondContact O-N 2.66Å; T558-L562 VanDerWaalsContact O-N 3.09Å; S559-L562 WeakPolarHBondContact O-CB 3.45Å; S559-L562 PolarHBondContact O-N 2.67Å; V560-L562 PolarHBondContact O-N 2.94Å
563G95.4Very high95.9Very high38 Ų3831 Ų3139%0.39221%0.207SC..THydrogen-bonded Turntrans88.211.5178.200000115.7S559 V560 L561S559-G563 PolarHBondContact O-N 3.3Å; V560-G563 PolarHBondContact O-N 3.08Å; L561-G563 PolarHBondContact O-N 2.86Å
564D96.2Very high95.6Very high50 Ų5034 Ų3427%0.26723%0.226SC..PPolyproline II helixtrans-71.9143.5171.3-59.3-36.6000110.7R284 S559R284-D564 IonicContact CZ-OD1 2.76Å; R284-D564 IonicContact CZ-OD2 2.8Å; R284-D564 IonicContact NH1-OD1 3.82Å; R284-D564 PolarHBondContact NH1-OD1 2.88Å; R284-D564 IonicContact NH1-OD2 3.12Å; R284-D564 PolarHBondContact NH1-OD2 3.28Å; R284-D564 VanDerWaalsContact NH2-CG 3.25Å; R284-D564 IonicContact NH2-OD1 3.81Å; R284-D564 PolarHBondContact NH2-OD1 3.18Å; R284-D564 IonicContact NH2-OD2 3.53Å; R284-D564 PolarHBondContact NH2-OD2 2.87Å; R284-D564 VanDerWaalsContact NH2-OD2 3.17Å; S559-D564 VanDerWaalsContact O-CB 3.29Å; S559-D564 WeakPolarHBondContact O-CB 3.4Å; S559-D564 PolarHBondContact O-N 2.88Å; S559-D564 VanDerWaalsContact OG-CB 3.32Å; S559-D564 WeakPolarHBondContact OG-CB 3.36Å; S559-D564 PolarHBondContact OG-OD2 2.84Å
565A94.4Very high95.3Very high53 Ų5338.1 Ų38.144%0.43825%0.253SS..PPolyproline II helixtrans-66.8139.2179.600000111.6
566P95.4Very high95.1Very high0 Ų039 Ų390%026%0.259CS..PPolyproline II helixtrans-58.2139.3176.5-28.137.5000112.8H527 V560H527-P566 HydrophobicContact CB-CG 3.61Å; H527-P566 WeakPolarHBondContact ND1-CG 3.45Å; V560-P566 HydrophobicContact CG2-CG 4.32Å
567P95.3Very high94.9Very high35 Ų3539.7 Ų39.723%0.22726%0.261CS..PPolyproline II helixtrans-69.8162.3-179.129.8-36.2000112.3E520 A523 H524 M556 L569E520-P567 HydrophobicContact CB-CG 3.78Å; E520-P567 HydrophobicContact CG-CB 4.01Å; E520-P567 HydrophobicContact CG-CG 3.63Å; A523-P567 HydrophobicContact CB-CG 4.27Å; H524-P567 PolarHBondContact NE2-O 3.33Å; M556-P567 HydrophobicContact SD-CG 4.19Å; P567-L569 PolarHBondContact O-N 2.95Å
568S92.4Very high94.6Very high63 Ų6346.2 Ų46.244%0.44129%0.292SS..PPolyproline II helixtrans-66.4131.1174.5-95.40000112.6E145E145-S568 PolarHBondContact OE1-OG 2.97Å
569L94.9Very high94.4Very high15 Ų1547.6 Ų47.68%0.07930%0.301CS..PPolyproline II helixtrans-73.1163.1170.6-61.7167.8000111.7Q105 L479 E520 P567 T571 F573Q105-L569 PolarHBondContact NE2-O 3.25Å; L479-L569 HydrophobicContact CD1-CD1 3.52Å; L479-L569 HydrophobicContact CD1-CD2 4.49Å; E520-L569 HydrophobicContact CB-CD2 4.26Å; P567-L569 PolarHBondContact O-N 2.95Å; L569-T571 PolarHBondContact O-N 3.15Å; L569-T571 PolarHBondContact O-OG1 3.16Å; L569-F573 HydrophobicContact CB-CD2 4.12Å; L569-F573 HydrophobicContact CB-CE2 4.16Å; L569-F573 HydrophobicContact CD1-CD2 4.33Å; L569-F573 HydrophobicContact CD1-CE2 3.78Å; L569-F573 HydrophobicContact CD1-CZ 4.3Å; L569-F573 HydrophobicContact CG-CE2 4.46Å
570A91.6Very high94.3Very high62 Ų6246.3 Ų46.351%0.51229%0.292SS..PPolyproline II helixtrans-50.3132.9178.100000112.3Q105 P572 F573Q105-A570 PolarHBondContact NE2-O 3.29Å; A570-P572 CarbonylContact O-C 3.58Å; A570-P572 VanDerWaalsContact O-C 3.3Å; A570-F573 WeakPolarHBondContact O-CA 3.35Å; A570-F573 PolarHBondContact O-N 2.8Å
571T90Very high94.1Very high91 Ų9147 Ų4756%0.55830%0.296SS*.SBendtrans-118.3124.8-177.5-63.10000110Q105 L569Q105-T571 PolarHBondContact NE2-OG1 3.29Å; Q105-T571 PolarHBondContact OE1-OG1 2.95Å; L569-T571 PolarHBondContact O-N 3.15Å; L569-T571 PolarHBondContact O-OG1 3.16Å
572P90.6Very high93.9Very high114 Ų11449.7 Ų49.774%0.7432%0.319SS*.SBendcis-68.1147.5-3.630.9-36000112.3A570A570-P572 CarbonylContact O-C 3.58Å; A570-P572 VanDerWaalsContact O-C 3.3Å
573F92.8Very high93.9Very high31 Ų3149.1 Ų49.114%0.13632%0.316CS..PPolyproline II helixtrans-67.6124.9174.2-163.7-120.5000109.8Q105 D475 L479 L569 A570Q105-F573 HydrophobicContact CG-CB 4.01Å; D475-F573 HydrophobicContact CB-CE2 4.27Å; L479-F573 HydrophobicContact CD1-CE2 4.27Å; L479-F573 HydrophobicContact CD1-CZ 3.79Å; L569-F573 HydrophobicContact CB-CD2 4.12Å; L569-F573 HydrophobicContact CB-CE2 4.16Å; L569-F573 HydrophobicContact CD1-CD2 4.33Å; L569-F573 HydrophobicContact CD1-CE2 3.78Å; L569-F573 HydrophobicContact CD1-CZ 4.3Å; L569-F573 HydrophobicContact CG-CE2 4.46Å; A570-F573 WeakPolarHBondContact O-CA 3.35Å; A570-F573 PolarHBondContact O-N 2.8Å
574P92.7Very high94Very high62 Ų6247.3 Ų47.340%0.40330%0.297SS..PPolyproline II helixtrans-71.4148-179.528.4-33.2000111S476S476-P574 WeakPolarHBondContact CB-O 3.41Å
575P92.1Very high93.9Very high86 Ų8648 Ų4856%0.55830%0.296SS*.PPolyproline II helixtrans-64.9151.9169.630.2-35.4000110.3A206A206-P575 HydrophobicContact CB-CB 3.76Å
576P93.6Very high94Very high21 Ų2149.4 Ų49.414%0.13629%0.292CS..PPolyproline II helixtrans-58.4141.3174-23.734.6000111.8V210 D477 A480 V581V210-P576 HydrophobicContact CG2-CB 4.41Å; V210-P576 HydrophobicContact CG2-CG 3.95Å; D477-P576 WeakPolarHBondContact OD1-CA 3.41Å; A480-P576 HydrophobicContact CB-CB 4.15Å; A480-P576 HydrophobicContact CB-CG 3.73Å; P576-V581 HydrophobicContact CB-CG2 3.94Å
577H94.3Very high94.1Very high61 Ų6149.4 Ų49.428%0.28229%0.292SS..PPolyproline II helixtrans-61.7138179-173.3-108.4000110.8M473 D477 C579 A580 V581M473-H577 HydrophobicContact SD-CB 4.22Å; D477-H577 WeakPolarHBondContact OD1-CB 3.47Å; D477-H577 PolarHBondContact OD1-N 2.81Å; H577-C579 VanDerWaalsContact CE1-SG 3.53Å; H577-C579 PolarHBondContact ND1-N 2.94Å; H577-C579 PolarHBondContact O-N 3.49Å; H577-A580 HydrophobicContact CB-CB 4.38Å; H577-A580 WeakPolarHBondContact O-CA 3.16Å; H577-A580 VanDerWaalsContact O-CB 3.29Å; H577-A580 WeakPolarHBondContact O-CB 3.28Å; H577-A580 PolarHBondContact O-N 3.16Å; H577-V581 PolarHBondContact O-N 3.42Å
578H92.8Very high94.1Very high138 Ų13848.8 Ų48.864%0.63929%0.287SS*.Hα-helixtrans-57.7-30-173.971.4-70.9000114.2A582H578-A582 PolarHBondContact O-N 3.45Å
579C95.1Very high94.2Very high29 Ų2951.5 Ų51.520%0.19629%0.287CS..Hα-helixtrans-73.1-34.2172.3-59.30000113.4N469 G470 M473 H577 A582 T583N469-C579 WeakPolarHBondContact O-CB 3.46Å; G470-C579 WeakPolarHBondContact O-CB 3.37Å; M473-C579 HydrophobicContact CE-CB 4.17Å; H577-C579 VanDerWaalsContact CE1-SG 3.53Å; H577-C579 PolarHBondContact ND1-N 2.94Å; H577-C579 PolarHBondContact O-N 3.49Å; C579-A582 PolarHBondContact O-N 2.99Å; C579-T583 PolarHBondContact O-N 3.46Å; C579-T583 PolarHBondContact O-OG1 2.86Å
580A96.1Very high94.3Very high0 Ų054.3 Ų54.30%030%0.3CS..Hα-helixtrans-64.4-46172.200000110.1W468 M473 D477 H577 A582 T583 I584W468-A580 HydrophobicContact CE3-CB 4.09Å; W468-A580 HydrophobicContact CH2-CB 4.21Å; W468-A580 HydrophobicContact CZ3-CB 3.55Å; M473-A580 HydrophobicContact CE-CB 4.05Å; M473-A580 HydrophobicContact SD-CB 3.83Å; D477-A580 HydrophobicContact CB-CB 3.78Å; D477-A580 WeakPolarHBondContact OD1-CB 3.23Å; H577-A580 HydrophobicContact CB-CB 4.38Å; H577-A580 WeakPolarHBondContact O-CA 3.16Å; H577-A580 VanDerWaalsContact O-CB 3.29Å; H577-A580 WeakPolarHBondContact O-CB 3.28Å; H577-A580 PolarHBondContact O-N 3.16Å; A580-A582 VanDerWaalsContact C-N 3.32Å; A580-A582 PolarHBondContact O-N 3.32Å; A580-T583 WeakPolarHBondContact O-CB 3.21Å; A580-T583 PolarHBondContact O-N 3.37Å; A580-T583 VanDerWaalsContact O-N 3.1Å; A580-I584 WeakPolarHBondContact O-CG1 3.44Å; A580-I584 PolarHBondContact O-N 3.47Å
581V95.1Very high94.6Very high17 Ų1751.3 Ų51.310%0.10328%0.276CS..Hα-helixtrans-55.3-45.8173.1173.50000111.6V210 P576 H577 T583 I584 R585V210-V581 HydrophobicContact CG2-CG2 4.18Å; P576-V581 HydrophobicContact CB-CG2 3.94Å; H577-V581 PolarHBondContact O-N 3.42Å; V581-T583 PolarHBondContact O-N 2.69Å; V581-I584 PolarHBondContact O-N 2.86Å; V581-R585 WeakPolarHBondContact O-CB 3.46Å; V581-R585 WeakPolarHBondContact O-CD 3.37Å; V581-R585 WeakPolarHBondContact O-CG 3.33Å; V581-R585 PolarHBondContact O-N 3.27Å
582A93.9Very high94.8Very high57 Ų5747.2 Ų47.247%0.47125%0.251SS..Hα-helixtrans-62.8-39.7176.300000112.8H578 C579 A580 K586H578-A582 PolarHBondContact O-N 3.45Å; C579-A582 PolarHBondContact O-N 2.99Å; A580-A582 VanDerWaalsContact C-N 3.32Å; A580-A582 PolarHBondContact O-N 3.32Å; A582-K586 PolarHBondContact O-N 3.21Å
583T96.8Very high95Very high9 Ų944.3 Ų44.36%0.05523%0.232CC..Hα-helixtrans-64-52.6175.3-62.50000111.2I466 A467 W468 C579 A580 V581 R585 K586 V587I466-T583 HydrophobicContact CG2-CG2 4.05Å; A467-T583 WeakPolarHBondContact O-CG2 3.4Å; A467-T583 PolarHBondContact O-OG1 2.88Å; W468-T583 HydrophobicContact CE3-CG2 3.77Å; W468-T583 HydrophobicContact CZ3-CG2 4.11Å; C579-T583 PolarHBondContact O-N 3.46Å; C579-T583 PolarHBondContact O-OG1 2.86Å; A580-T583 WeakPolarHBondContact O-CB 3.21Å; A580-T583 PolarHBondContact O-N 3.37Å; A580-T583 VanDerWaalsContact O-N 3.1Å; V581-T583 PolarHBondContact O-N 2.69Å; T583-R585 VanDerWaalsContact C-N 3.3Å; T583-R585 PolarHBondContact O-N 3.39Å; T583-K586 WeakPolarHBondContact O-CA 3.39Å; T583-K586 WeakPolarHBondContact O-CB 3.46Å; T583-K586 PolarHBondContact O-N 2.89Å; T583-V587 HydrophobicContact CG2-CG2 4.46Å; T583-V587 WeakPolarHBondContact O-CG2 3.3Å; T583-V587 PolarHBondContact O-N 3.13Å
584I97.6Very high95.2Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-55.3-45.9179.1-69.4162.8000110.4V210 W468 A480 A481 H484 V485 A580 V581 K586 V587 I588V210-I584 HydrophobicContact CG1-CB 4.08Å; V210-I584 HydrophobicContact CG1-CD1 3.98Å; V210-I584 HydrophobicContact CG1-CG2 3.6Å; W468-I584 HydrophobicContact CH2-CD1 4.21Å; W468-I584 HydrophobicContact CH2-CG1 4.2Å; W468-I584 HydrophobicContact CZ3-CD1 4.34Å; W468-I584 HydrophobicContact CZ3-CG1 4.12Å; A480-I584 HydrophobicContact CB-CD1 3.79Å; A481-I584 HydrophobicContact CB-CD1 4.24Å; A481-I584 HydrophobicContact CB-CG1 4.24Å; H484-I584 HydrophobicContact CB-CG2 4.26Å; V485-I584 HydrophobicContact CG2-CG2 4Å; A580-I584 WeakPolarHBondContact O-CG1 3.44Å; A580-I584 PolarHBondContact O-N 3.47Å; V581-I584 PolarHBondContact O-N 2.86Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.39Å; I584-V587 PolarHBondContact O-N 2.87Å; I584-I588 HydrophobicContact CG2-CD1 3.75Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CG1 3.46Å; I584-I588 PolarHBondContact O-N 3.36Å
585R94.5Very high95.4Very high65 Ų6543.5 Ų43.525%0.24522%0.22CC..Hα-helixtrans-61.8-36.6174.7-68.9164.6-179.5-171.86.2113.2Q209 V210 A212 V581 T583 R589Q209-R585 PolarHBondContact O-NH2 3.21Å; V210-R585 WeakPolarHBondContact O-CG 3.47Å; V210-R585 PolarHBondContact O-NE 3.02Å; A212-R585 WeakPolarHBondContact O-CD 3.29Å; A212-R585 PolarHBondContact O-NE 2.58Å; V581-R585 WeakPolarHBondContact O-CB 3.46Å; V581-R585 WeakPolarHBondContact O-CD 3.37Å; V581-R585 WeakPolarHBondContact O-CG 3.33Å; V581-R585 PolarHBondContact O-N 3.27Å; T583-R585 VanDerWaalsContact C-N 3.3Å; T583-R585 PolarHBondContact O-N 3.39Å; R585-R589 WeakPolarHBondContact O-CG 3.16Å; R585-R589 PolarHBondContact O-N 3.38Å
586K95.6Very high95.6Very high81 Ų8142.4 Ų42.435%0.35221%0.205SC..Hα-helixtrans-63.5-48.7174.1-174.8-176.9172.1-168.30109.8A451 D452 A582 T583 I584 R589 Q590A451-K586 HydrophobicContact CB-CD 3.96Å; A451-K586 HydrophobicContact CB-CG 4.22Å; D452-K586 IonicContact OD1-NZ 3.8Å; D452-K586 PolarHBondContact OD1-NZ 2.79Å; A582-K586 PolarHBondContact O-N 3.21Å; T583-K586 WeakPolarHBondContact O-CA 3.39Å; T583-K586 WeakPolarHBondContact O-CB 3.46Å; T583-K586 PolarHBondContact O-N 2.89Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.39Å; K586-R589 PolarHBondContact O-N 2.85Å; K586-Q590 WeakPolarHBondContact O-CG 3.4Å; K586-Q590 PolarHBondContact O-N 2.92Å
587V97.8Very high95.7Very high0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-60.8-48.4179.7-178.20000111.2A451 V464 N465 I466 V485 T583 I584 R589 Q590 H591A451-V587 HydrophobicContact CB-CG2 3.9Å; V464-V587 HydrophobicContact CG1-CG1 3.79Å; N465-V587 WeakPolarHBondContact O-CG2 3.32Å; I466-V587 HydrophobicContact CG1-CG1 4.46Å; I466-V587 HydrophobicContact CG1-CG2 4.35Å; V485-V587 HydrophobicContact CG1-CG1 3.7Å; V485-V587 HydrophobicContact CG2-CG1 4.37Å; T583-V587 HydrophobicContact CG2-CG2 4.46Å; T583-V587 WeakPolarHBondContact O-CG2 3.3Å; T583-V587 PolarHBondContact O-N 3.13Å; I584-V587 PolarHBondContact O-N 2.87Å; V587-R589 VanDerWaalsContact C-N 3.3Å; V587-R589 PolarHBondContact O-N 2.94Å; V587-Q590 PolarHBondContact O-N 3.27Å; V587-Q590 VanDerWaalsContact O-N 3.08Å; V587-H591 WeakPolarHBondContact O-CB 3.49Å; V587-H591 PolarHBondContact O-CD2 3.23Å; V587-H591 PolarHBondContact O-N 2.61Å
588I96.6Very high95.8Very high23 Ų2338.8 Ų38.812%0.11819%0.187CC..Hα-helixtrans-54.7-44.8177.6-70.7169.5000111.1L211 H484 V485 I584 Q590 H591 A592L211-I588 HydrophobicContact CD2-CD1 3.7Å; H484-I588 HydrophobicContact CB-CD1 4.32Å; V485-I588 HydrophobicContact CG2-CD1 4.42Å; V485-I588 HydrophobicContact CG2-CG1 3.92Å; I584-I588 HydrophobicContact CG2-CD1 3.75Å; I584-I588 HydrophobicContact CG2-CG1 4.4Å; I584-I588 WeakPolarHBondContact O-CG1 3.46Å; I584-I588 PolarHBondContact O-N 3.36Å; I588-Q590 PolarHBondContact O-N 3.31Å; I588-H591 PolarHBondContact O-N 2.79Å; I588-A592 WeakPolarHBondContact O-CB 3.29Å; I588-A592 PolarHBondContact O-N 2.96Å
589R94.6Very high95.9Very high119 Ų11934.1 Ų34.145%0.44916%0.164SC..Hα-helixtrans-64.2-37.1178.5-70.9174.6-162.31378.5113.2R585 K586 V587R585-R589 WeakPolarHBondContact O-CG 3.16Å; R585-R589 PolarHBondContact O-N 3.38Å; K586-R589 PolarHBondContact O-N 2.85Å; V587-R589 VanDerWaalsContact C-N 3.3Å; V587-R589 PolarHBondContact O-N 2.94Å
590Q96Very high95.8Very high74 Ų7433.6 Ų33.635%0.34616%0.159SC..Hα-helixtrans-73.7-32.7177.8-60.8-64.22.600112.2A451 V454 K586 V587 I588 P593 Y594A451-Q590 WeakPolarHBondContact O-CG 3.35Å; V454-Q590 HydrophobicContact CG1-CB 3.98Å; K586-Q590 WeakPolarHBondContact O-CG 3.4Å; K586-Q590 PolarHBondContact O-N 2.92Å; V587-Q590 PolarHBondContact O-N 3.27Å; V587-Q590 VanDerWaalsContact O-N 3.08Å; I588-Q590 PolarHBondContact O-N 3.31Å; Q590-P593 WeakPolarHBondContact O-CD 3.5Å; Q590-Y594 WeakPolarHBondContact O-CE2 3.46Å
591H97.3Very high95.3Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-99.4-22-172.3-78-76.4000115.8N463 I489 V587 I588 P593 Y594 W595 L598N463-H591 PolarHBondContact O-CE1 3.44Å; I489-H591 HydrophobicContact CD1-CB 4.4Å; V587-H591 WeakPolarHBondContact O-CB 3.49Å; V587-H591 PolarHBondContact O-CD2 3.23Å; V587-H591 PolarHBondContact O-N 2.61Å; I588-H591 PolarHBondContact O-N 2.79Å; H591-P593 VanDerWaalsContact C-N 3.31Å; H591-Y594 PolarHBondContact O-N 3.24Å; H591-W595 AromaticContact ND1-NE1 3.97Å; H591-W595 PolarHBondContact O-N 2.94Å; H591-L598 HydrophobicContact CB-CD1 3.5Å; H591-L598 VanDerWaalsContact CB-CD1 3.5Å
592A95.3Very high94.7Very high4 Ų436.5 Ų36.53%0.03318%0.176CC..THydrogen-bonded Turntrans-56-28.3175.600000116I588 Y594 L598 R599I588-A592 WeakPolarHBondContact O-CB 3.29Å; I588-A592 PolarHBondContact O-N 2.96Å; A592-Y594 PolarHBondContact O-N 3.02Å; A592-L598 HydrophobicContact CB-CB 4.22Å; A592-R599 HydrophobicContact CB-CG 4.26Å; A592-R599 PolarHBondContact O-NE 2.71Å; A592-R599 PolarHBondContact O-NH2 3.31Å
593P94.8Very high94.2Very high53 Ų5336.9 Ų36.934%0.34417%0.174SC..THydrogen-bonded Turntrans-60-34170.2-26.436.6000113.4Q590 H591 R599Q590-P593 WeakPolarHBondContact O-CD 3.5Å; H591-P593 VanDerWaalsContact C-N 3.31Å; P593-R599 PolarHBondContact O-NH2 2.81Å
594Y96.1Very high93.3Very high61 Ų6142.9 Ų42.924%0.23920%0.201CC..THydrogen-bonded Turntrans-90.9-42.3-175.3-54.9-86.1000112.3V454 A460 Q590 H591 A592V454-Y594 HydrophobicContact CB-CE2 4.4Å; V454-Y594 HydrophobicContact CG2-CE2 4.17Å; A460-Y594 HydrophobicContact CB-CE1 4.06Å; A460-Y594 WeakPolarHBondContact O-CD1 3.5Å; A460-Y594 WeakPolarHBondContact O-CE1 3.5Å; Q590-Y594 WeakPolarHBondContact O-CE2 3.46Å; H591-Y594 PolarHBondContact O-N 3.24Å; A592-Y594 PolarHBondContact O-N 3.02Å
595W97.2Very high92.4Very high16 Ų1649.8 Ų49.86%0.06124%0.238CC..  trans-113.4123.4-172.4-52.5101.6000111.3L430 G461 F462 I489 E492 F493 H591 L598L430-W595 HydrophobicContact CD1-CZ2 4.29Å; G461-W595 WeakPolarHBondContact O-CZ2 3.46Å; G461-W595 PolarHBondContact O-NE1 2.84Å; F462-W595 HydrophobicContact CD1-CH2 4.13Å; F462-W595 HydrophobicContact CD1-CZ2 4.23Å; F462-W595 AromaticContact CE1-CH2 3.88Å; F462-W595 HydrophobicContact CE1-CH2 3.88Å; F462-W595 HydrophobicContact CE1-CZ2 4.33Å; F462-W595 HydrophobicContact CG-CZ2 4.47Å; F462-W595 HydrophobicContact CZ-CH2 4.3Å; I489-W595 HydrophobicContact CB-CD2 4.47Å; I489-W595 HydrophobicContact CG1-CB 4.31Å; I489-W595 HydrophobicContact CG1-CD2 4.4Å; I489-W595 HydrophobicContact CG1-CG 3.95Å; I489-W595 HydrophobicContact CG2-CD2 3.81Å; I489-W595 HydrophobicContact CG2-CE3 4.25Å; I489-W595 HydrophobicContact CG2-CG 4.22Å; I489-W595 HydrophobicContact CG2-CH2 4.33Å; I489-W595 HydrophobicContact CG2-CZ2 3.89Å; I489-W595 HydrophobicContact CG2-CZ3 4.5Å; E492-W595 HydrophobicContact CB-CE3 3.99Å; E492-W595 HydrophobicContact CB-CZ3 4.41Å; E492-W595 HydrophobicContact CG-CE3 3.89Å; E492-W595 HydrophobicContact CG-CZ3 4.37Å; F493-W595 HydrophobicContact CB-CH2 3.91Å; F493-W595 HydrophobicContact CB-CZ3 3.89Å; F493-W595 HydrophobicContact CD2-CH2 4.02Å; F493-W595 HydrophobicContact CG-CH2 4.38Å; H591-W595 AromaticContact ND1-NE1 3.97Å; H591-W595 PolarHBondContact O-N 2.94Å; W595-L598 HydrophobicContact CB-CD1 4.02Å; W595-L598 HydrophobicContact CB-CG 4.11Å
596R96.4Very high91.7Very high63 Ų6348.4 Ų48.424%0.23824%0.236CC..G310 helixtrans-71.6-34-178.6-62.5-177.273.5-171.910112.3A185 P186 D188 L191 E492 L598 R599A185-R596 HydrophobicContact CB-CB 4.35Å; P186-R596 VanDerWaalsContact O-CZ 3.25Å; P186-R596 PolarHBondContact O-NH1 2.78Å; D188-R596 IonicContact OD1-CZ 3.33Å; D188-R596 IonicContact OD1-NH2 3.37Å; D188-R596 PolarHBondContact OD1-NH2 3.42Å; D188-R596 IonicContact OD2-NH2 3.17Å; D188-R596 PolarHBondContact OD2-NH2 2.91Å; L191-R596 HydrophobicContact CD1-CB 4.49Å; E492-R596 VanDerWaalsContact CD-N 3.27Å; E492-R596 WeakPolarHBondContact OE1-CB 3.44Å; E492-R596 PolarHBondContact OE1-N 2.81Å; E492-R596 PolarHBondContact OE2-N 3.33Å; R596-L598 PolarHBondContact O-N 2.87Å; R596-L598 VanDerWaalsContact O-N 3.08Å; R596-R599 WeakPolarHBondContact O-CB 3.37Å; R596-R599 WeakPolarHBondContact O-CG 3.49Å; R596-R599 PolarHBondContact O-N 3.45Å
597S96.2Very high90.7Very high2 Ų246.5 Ų46.51%0.01423%0.228CC..G310 helixtrans-59.1-15.4178.957.50000114.8Q95 P488 E492Q95-S597 PolarHBondContact NE2-O 3.39Å; Q95-S597 VanDerWaalsContact NE2-O 3.09Å; P488-S597 PolarHBondContact O-OG 2.97Å; E492-S597 WeakPolarHBondContact OE2-CB 3.24Å; E492-S597 PolarHBondContact OE2-N 2.79Å; E492-S597 PolarHBondContact OE2-OG 3.3Å
598L96.3Very high89.5Confident4 Ų452.3 Ų52.32%0.02126%0.259CS..G310 helixtrans-93.8-4.7175.9-57.4-179.3000114.2H484 P488 I489 H591 A592 W595 R596 I600H484-L598 WeakPolarHBondContact O-CD2 3.29Å; P488-L598 HydrophobicContact CB-CD2 3.92Å; I489-L598 HydrophobicContact CD1-CD1 3.94Å; I489-L598 HydrophobicContact CG1-CD1 3.89Å; I489-L598 HydrophobicContact CG1-CD2 4.14Å; I489-L598 HydrophobicContact CG1-CG 4.19Å; H591-L598 HydrophobicContact CB-CD1 3.5Å; H591-L598 VanDerWaalsContact CB-CD1 3.5Å; A592-L598 HydrophobicContact CB-CB 4.22Å; W595-L598 HydrophobicContact CB-CD1 4.02Å; W595-L598 HydrophobicContact CB-CG 4.11Å; R596-L598 PolarHBondContact O-N 2.87Å; R596-L598 VanDerWaalsContact O-N 3.08Å; L598-I600 PolarHBondContact O-N 3.22Å
599R94.6Very high88.2Confident40 Ų4055 Ų5515%0.15129%0.285CS..  trans-84.145-168.9-61.9-179.9-175.2172.74.1113.6L191 A592 P593 R596L191-R599 HydrophobicContact CD1-CB 4.27Å; A592-R599 HydrophobicContact CB-CG 4.26Å; A592-R599 PolarHBondContact O-NE 2.71Å; A592-R599 PolarHBondContact O-NH2 3.31Å; P593-R599 PolarHBondContact O-NH2 2.81Å; R596-R599 WeakPolarHBondContact O-CB 3.37Å; R596-R599 WeakPolarHBondContact O-CG 3.49Å; R596-R599 PolarHBondContact O-N 3.45Å
600I92.4Very high87Confident18 Ų1851.4 Ų51.49%0.09227%0.274CS..  trans-76.5128.7174.1-50.7-48.4000109.1Q95 L191 I194 I198 L211 L598 I602Q95-I600 HydrophobicContact CB-CD1 4.5Å; Q95-I600 HydrophobicContact CG-CD1 4.29Å; Q95-I600 HydrophobicContact CG-CG1 4.29Å; L191-I600 HydrophobicContact CD2-CD1 4.01Å; I194-I600 HydrophobicContact CG2-CD1 3.69Å; I198-I600 HydrophobicContact CD1-CG2 3.67Å; L211-I600 HydrophobicContact CD1-CG2 4.21Å; L598-I600 PolarHBondContact O-N 3.22Å; I600-I602 HydrophobicContact CG2-CG1 4.5Å
601T86.1Confident84.8Confident71 Ų7153.4 Ų53.444%0.43629%0.293SS..  trans-120.1107.4-174.8-57.20000111.3S195S195-T601 WeakPolarHBondContact CB-O 3.5Å; S195-T601 PolarHBondContact OG-N 2.99Å
602I83.1Confident82.2Confident6 Ų658.1 Ų58.13%0.03133%0.326CS..  trans-100.5122.9177.7-55.2-179.8000109I198 Y202 L211 I600 E604 V606 Q607I198-I602 HydrophobicContact CG2-CD1 3.61Å; I198-I602 HydrophobicContact CG2-CG1 4.11Å; Y202-I602 HydrophobicContact CD2-CD1 3.65Å; Y202-I602 HydrophobicContact CD2-CG2 4.24Å; Y202-I602 HydrophobicContact CE2-CD1 3.85Å; Y202-I602 HydrophobicContact CG-CG2 4.47Å; L211-I602 HydrophobicContact CB-CD1 3.67Å; I600-I602 HydrophobicContact CG2-CG1 4.5Å; I602-E604 PolarHBondContact O-N 2.87Å; I602-V606 HydrophobicContact CG2-CB 4.24Å; I602-V606 HydrophobicContact CG2-CG1 4.24Å; I602-Q607 HydrophobicContact CG2-CG 3.99Å; I602-Q607 PolarHBondContact O-NE2 3.32Å
603P82.6Confident79.5Confident66 Ų6663.8 Ų63.843%0.42936%0.363SS..  trans-59.4137.5179.3-24.334.1000112.8S199 L605 V606 Q607S199-P603 WeakPolarHBondContact OG-CD 3.21Å; P603-L605 PolarHBondContact O-N 2.63Å; P603-L605 VanDerWaalsContact O-N 3.16Å; P603-V606 HydrophobicContact CB-CG2 4.27Å; P603-V606 HydrophobicContact CG-CG2 4.47Å; P603-V606 WeakPolarHBondContact O-CB 3.35Å; P603-V606 PolarHBondContact O-N 3.41Å; P603-Q607 PolarHBondContact O-N 3.3Å
604E78.9Confident76.3Confident134 Ų13470.6 Ų70.663%0.62639%0.387SS*.Hα-helixtrans-56.7-34.8-178.1-171.3179.8-175.500112.8I602 V606 Q607 L608I602-E604 PolarHBondContact O-N 2.87Å; E604-V606 VanDerWaalsContact C-N 3.26Å; E604-V606 PolarHBondContact O-N 3.03Å; E604-Q607 WeakPolarHBondContact O-CB 3.32Å; E604-Q607 PolarHBondContact O-N 3.06Å; E604-Q607 VanDerWaalsContact O-N 3.1Å; E604-L608 HydrophobicContact CG-CD1 3.9Å; E604-L608 HydrophobicContact CG-CG 4.22Å; E604-L608 WeakPolarHBondContact O-CG 3.49Å; E604-L608 PolarHBondContact O-N 2.96Å
605L78.9Confident73.2Confident146 Ų14676.6 Ų76.676%0.76442%0.417SS*.Hα-helixtrans-57.5-36.1175-69.5172000113.2P603 A609P603-L605 PolarHBondContact O-N 2.63Å; P603-L605 VanDerWaalsContact O-N 3.16Å; L605-A609 VanDerWaalsContact O-CB 3.31Å; L605-A609 WeakPolarHBondContact O-CB 3.28Å; L605-A609 PolarHBondContact O-N 2.68Å
606V79.2Confident70.1Confident36 Ų3688 Ų8822%0.21846%0.46CS..Hα-helixtrans-71.2-39.4177.1177.30000110.3S199 Y202 I602 P603 E604 A609S199-V606 WeakPolarHBondContact O-CG1 3.48Å; Y202-V606 HydrophobicContact CD1-CG1 3.79Å; Y202-V606 HydrophobicContact CG-CG1 4Å; I602-V606 HydrophobicContact CG2-CB 4.24Å; I602-V606 HydrophobicContact CG2-CG1 4.24Å; P603-V606 HydrophobicContact CB-CG2 4.27Å; P603-V606 HydrophobicContact CG-CG2 4.47Å; P603-V606 WeakPolarHBondContact O-CB 3.35Å; P603-V606 PolarHBondContact O-N 3.41Å; E604-V606 VanDerWaalsContact C-N 3.26Å; E604-V606 PolarHBondContact O-N 3.03Å; V606-A609 PolarHBondContact O-N 2.82Å
607Q74.9Confident66.8Low40 Ų4087.9 Ų87.919%0.18748%0.478CS..Hα-helixtrans-66.1-39.2178.2-53177.328.700111.7A212 G213 I602 P603 E604A212-Q607 HydrophobicContact CB-CB 4.36Å; A212-Q607 HydrophobicContact CB-CG 3.73Å; G213-Q607 VanDerWaalsContact CA-OE1 3.32Å; G213-Q607 PolarHBondContact O-NE2 3.49Å; I602-Q607 HydrophobicContact CG2-CG 3.99Å; I602-Q607 PolarHBondContact O-NE2 3.32Å; P603-Q607 PolarHBondContact O-N 3.3Å; E604-Q607 WeakPolarHBondContact O-CB 3.32Å; E604-Q607 PolarHBondContact O-N 3.06Å; E604-Q607 VanDerWaalsContact O-N 3.1Å
608L71.7Confident63.6Low123 Ų12397.4 Ų97.464%0.64452%0.519SS*.Hα-helixtrans-77.9-18.6177.4-66.6173.2000113.8E604 L610E604-L608 HydrophobicContact CG-CD1 3.9Å; E604-L608 HydrophobicContact CG-CG 4.22Å; E604-L608 WeakPolarHBondContact O-CG 3.49Å; E604-L608 PolarHBondContact O-N 2.96Å; L608-L610 VanDerWaalsContact C-N 3.33Å
609A70.5Confident60.2Low80 Ų80103.6 Ų103.666%0.66156%0.561SS**Hα-helixtrans-75.2-20.8178.100000113.2L605 V606L605-A609 VanDerWaalsContact O-CB 3.31Å; L605-A609 WeakPolarHBondContact O-CB 3.28Å; L605-A609 PolarHBondContact O-N 2.68Å; V606-A609 PolarHBondContact O-N 2.82Å
610L68.5Low56.9Low43 Ų43106.7 Ų106.723%0.22559%0.589CS.*SBendtrans-62.3131.4169.5-81.2-175.4000110Y202 P203 Q209 L608 S612Y202-L610 HydrophobicContact CD1-CD1 4.06Å; Y202-L610 HydrophobicContact CD1-CG 4.24Å; Y202-L610 HydrophobicContact CE1-CD1 3.37Å; Y202-L610 HydrophobicContact CE1-CG 3.9Å; P203-L610 HydrophobicContact CB-CD2 4.38Å; Q209-L610 HydrophobicContact CG-CD1 3.98Å; L608-L610 VanDerWaalsContact C-N 3.33Å; L610-S612 PolarHBondContact O-N 3.06Å
611P50.1Low54Low115 Ų115111.3 Ų111.375%0.74762%0.623SS**PPolyproline II helixtrans-61.5116.4172.525.7-32.2000108.3
612S42.7Very low51.3Low99 Ų99117.6 Ų117.669%0.69265%0.647SS**PPolyproline II helixtrans-50.9136.4175.3-44.10000109.1L610 K614L610-S612 PolarHBondContact O-N 3.06Å; S612-K614 PolarHBondContact O-N 3.33Å
613P38.5Very low48.7Very low123 Ų123120.5 Ų120.580%0.79968%0.679SS**PPolyproline II helixtrans-50.4117.7172.2-25.333.6000107.9H615P613-H615 VanDerWaalsContact C-N 3.3Å; P613-H615 PolarHBondContact O-N 2.78Å
614K28.2Very low46.1Very low196 Ų196129.1 Ų129.185%0.85270%0.703SS**  trans-67.494.3-175.9-74-178.6-178.3172.30108.2S612 R616S612-K614 PolarHBondContact O-N 3.33Å; K614-R616 VanDerWaalsContact C-N 3.33Å; K614-R616 PolarHBondContact O-N 3.19Å
615H30.2Very low43.7Very low187 Ų187132.8 Ų132.887%0.86672%0.717SS**  trans-49.2107150.5-93.8-71000106.2P613 G617P613-H615 VanDerWaalsContact C-N 3.3Å; P613-H615 PolarHBondContact O-N 2.78Å; H615-G617 PolarHBondContact O-N 3.1Å
616R32.3Very low41.3Very low256 Ų256131.3 Ų131.397%0.96672%0.719SS**  trans-71.865.7171.2-90.2-175.6164.9-177-1.9108.6K614K614-R616 VanDerWaalsContact C-N 3.33Å; K614-R616 PolarHBondContact O-N 3.19Å
617G28Very low38.9Very low60 Ų60137 Ų13762%0.61975%0.748SS**  trans-98.8104.7178.900000110.9H615H615-G617 PolarHBondContact O-N 3.1Å
618K27.3Very low36.7Very low202 Ų202145.1 Ų145.188%0.87878%0.783SS**  trans64.192.5162.9-60.8175.5-179.4173.60116.1S620K618-S620 PolarHBondContact O-N 2.78Å
619C25.4Very low34.6Very low134 Ų134150.7 Ų150.791%0.90580%0.795SS**  trans-61.1114.3148-168.90000108.2S621C619-S621 PolarHBondContact O-N 3.47Å
620S25.9Very low33.2Very low106 Ų106152.5 Ų152.574%0.74180%0.8SS**  trans-73.7113.4175.950.20000109.7K618 Q622K618-S620 PolarHBondContact O-N 2.78Å; S620-Q622 PolarHBondContact O-N 2.77Å
621S31Very low31.2Very low114 Ų114158.3 Ų158.380%0.79783%0.831SS**  trans-65.9128.4171.151.90000109.5C619 G623C619-S621 PolarHBondContact O-N 3.47Å; S621-G623 VanDerWaalsContact C-N 3.28Å; S621-G623 PolarHBondContact O-N 3.49Å
622Q29.2Very low30.3Very low203 Ų203158.1 Ų158.195%0.94983%0.829SS**  trans-69.885.7173.7-72-174.2-7.600110.2S620S620-Q622 PolarHBondContact O-N 2.77Å
623G28.6Very low30.6Very low68 Ų68159.2 Ų159.270%0.70183%0.834SS**PPolyproline II helixtrans-70.7134.816800000111.4S621S621-G623 VanDerWaalsContact C-N 3.28Å; S621-G623 PolarHBondContact O-N 3.49Å
624R27.4Very low30.1Very low246 Ų246158.4 Ų158.493%0.92884%0.837SS**PPolyproline II helixtrans-62.2146.3-176.9-70.6173.7172.2168.4-3.7112.5
625K28.6Very low30Very low212 Ų212152.3 Ų152.392%0.92283%0.831SS**PPolyproline II helixtrans-59.7138.2169.5-67.9-179.8176.3-179.90111.8
626S28.9Very low29.8Very low114 Ų114151.6 Ų151.680%0.79783%0.828SS**  trans-145.9133.8152.559.40000109.7
627D29.6Very low29.6Very low155 Ų155147 Ų14783%0.82982%0.817SS**  trans-67.9146.5-170.6-58.7-75.2000115.1
628K29.2Very low29.4Very low212 Ų212152.7 Ų152.792%0.92283%0.83SS**  -170.1166.2114.7-99.5158.4-171.11780113.7
629R27.6Very low29.3Very low240 Ų240152.1 Ų152.191%0.90683%0.83SS**  trans-76.6158.7-163-81.2179.2170.1-174.9-3.6115.5
630P40Very low29.3Very low117 Ų117148.9 Ų148.976%0.7682%0.82SS**  trans-89.1169.7175.438.8-37.4000113.2
631L27Very low29.4Very low166 Ų166150 Ų15087%0.86982%0.822SS**  trans-171.1164.2153.8-98.9167000108.4
632P30.4Very low29.2Very low110 Ų110152.7 Ų152.771%0.71482%0.822SS**  -132.8-147.1-119.551.4-33000112.3
633P50.2Low29.1Very low123 Ų123152.4 Ų152.480%0.79982%0.821SS**  trans-116.9162.2-137.831.2-8000116.8
634A26.8Very low29.1Very low105 Ų105157.5 Ų157.587%0.86883%0.831SS**  trans-161.1155.5158.600000107.1
635G26.4Very low29.2Very low69 Ų69152.2 Ų152.271%0.71183%0.826SS**  cis146.7111.64.200000109.2
636Q26.9Very low29.1Very low171 Ų171151.7 Ų151.780%0.79983%0.827SS**  trans34.8124.2163.3-67.5179.5-8800122
637E27.3Very low28.9Very low160 Ų160149.7 Ų149.775%0.74882%0.824SS**  51119.8128.7-60.7168.6150.100120.8
638M24Very low28.9Very low180 Ų180150.7 Ų150.789%0.88783%0.829SS**  -164157.7117.3-113-175.6-57.500114.5
639E25.4Very low28.7Very low189 Ų189145.3 Ų145.388%0.88382%0.824SS**  trans-61.4174.3-178-53.9162.8132.900115.9
640G25.8Very low28.7Very low67 Ų67138.9 Ų138.969%0.69182%0.816SS**  trans120.674.1134.700000119.5
641V26.5Very low28.2Very low129 Ų129141.6 Ų141.678%0.78282%0.823SS**  37.3139123-175.60000120.7
642E27Very low28.4Very low170 Ų170139.9 Ų139.979%0.79481%0.814SS**  trans7191.1161-82.7169.8-157.300119.9
643Q27.3Very low28.3Very low198 Ų198142 Ų14293%0.92582%0.818SS**  trans-167.9154.3130.7-107.115174.300111.8
644L29Very low27.2Very low174 Ų174141.3 Ų141.391%0.91181%0.812SS**  trans103.855.4174-58.5167.4000118.1
645T28.8Very low27.3Very low135 Ų135145.4 Ų145.483%0.82881%0.813SS**  trans-115.791151.137.70000110.8
646Q26.4Very low27.6Very low202 Ų202146.8 Ų146.894%0.94482%0.817SS**  trans-171.3138.3155.9-111.5162.334.400112.5
647G26.3Very low27.9Very low72 Ų72144.4 Ų144.474%0.74282%0.817SS**  trans103.290.616300000115.6
648L28.3Very low28.3Very low176 Ų176142.4 Ų142.492%0.92182%0.818SS**  -17889.9122.7-96.3165.2000109.8
649A24.6Very low28.8Very low99 Ų99140.4 Ų140.482%0.81882%0.816SS**  trans-133.689.8168.400000108.5
650S27.8Very low29.1Very low105 Ų105137.2 Ų137.273%0.73481%0.811SS**  trans171116.8155.131.80000110.3
651L29.6Very low29.2Very low173 Ų173143.5 Ų143.591%0.90682%0.823SS**  -175.1136.4114.5-94.6164.3000109.6
652D30.7Very low29.3Very low130 Ų130145.9 Ų145.970%0.69583%0.826SS**  trans-104.1134.5-177171.419.3000108.8
653I28.9Very low30.1Very low154 Ų154142.6 Ų142.679%0.7982%0.819SS**  trans-139.996.6170-54.6-178000109.9
654T27.7Very low30.6Very low109 Ų109139.2 Ų139.267%0.66981%0.814SS**  trans-92.2110.7155.241.50000109.7
655Q28.4Very low30.7Very low192 Ų192137.1 Ų137.190%0.89781%0.809SS**  trans-179.7148.9155.1-105.4153.57400113.1
656A33.4Very low30.4Very low97 Ų97139.6 Ų139.680%0.80281%0.813SS**  trans-126.5147.3177.200000111.5
657P32.7Very low30.4Very low122 Ų122138.2 Ų138.279%0.79281%0.807SS**  trans-148.6-178.2147.639.3-22.9000113.3
658P35.8Very low30.4Very low118 Ų118141.5 Ų141.577%0.76681%0.812SS**  cis-131.5172.8-46.638.1-23.2000113.2
659T35.2Very low30.3Very low137 Ų137142 Ų14284%0.8481%0.807SS**  trans-86.5150173.5-17.40000113.4
660P30.9Very low30.4Very low122 Ų122141 Ų14179%0.79281%0.806SS**  trans-114.9171155.710.111.9000113.8
661Q27.8Very low30.4Very low199 Ų199143.2 Ų143.293%0.9381%0.81SS**  trans-105.9159.3-158.4-61.8160.4-57.700115.8
662E28.1Very low30.3Very low180 Ų180141.6 Ų141.684%0.84181%0.807SS**  trans-78.8179.8158.6-97-175.8-169.400112.6
663P44.2Very low30.2Very low100 Ų100144.4 Ų144.465%0.64982%0.816SS**  cis-130.1-154.1-2532.5-9.3000110.7
664P38.4Very low30.1Very low128 Ų128142 Ų14283%0.83181%0.813SS**  -145.9170.980.638.1-19000116.5
665T30Very low30Very low129 Ų129145.8 Ų145.879%0.79182%0.82SS**  trans-97.4159.8-175.145.20000114.7
666M23.8Very low29.8Very low188 Ų188143.9 Ų143.993%0.92682%0.815SS**  trans-149.1141.1144.7-88.1-160.976.300111.5
667E26Very low29.4Very low172 Ų172148.6 Ų148.680%0.80482%0.82SS**  trans-85.4162.9178.3-48.4172.1144.400112
668V26.8Very low29.1Very low142 Ų142149.9 Ų149.986%0.86182%0.821SS**  -158.4132.1117.71690000111.5
669K26.2Very low28.7Very low185 Ų185150 Ų15080%0.80482%0.824SS**  trans-30.8157.5167.2-57.3170.7178.4179.50120.3
670G26.4Very low28.4Very low78 Ų78152.4 Ų152.480%0.80483%0.826SS**  trans-177.288.5154.200000114.1
671D27.6Very low28.2Very low152 Ų152152.5 Ų152.581%0.81383%0.83SS**  trans-71.3141.4175.1-55.6-73.7000113.1
672V28.3Very low28.2Very low139 Ų139147.5 Ų147.584%0.84282%0.822SS**  trans-150.1117.4134.6-179.50000109.7
673E27.6Very low28.1Very low189 Ų189147.7 Ų147.788%0.88382%0.823SS**  trans-82.2141.9159.3-65.9-176.7121.300110.8
674S26.8Very low27.2Very low104 Ų104147.5 Ų147.573%0.72782%0.824SS**  trans-162.5108.8137.461.90000113.7
675K26Very low26.5Very low189 Ų189148.5 Ų148.582%0.82282%0.822SS**  trans30.8120.4135.2-67.9175.2-178.61750119.1
676L24.4Very low26.2Very low151 Ų151150.3 Ų150.379%0.79182%0.821SS**  63.9109.985.2-106159.2000113.6
677E24.8Very low26.2Very low196 Ų196147 Ų14792%0.91681%0.812SS**  -159.5145.8121.5-114.4167.5-157.300113.1
678N26Very low26.1Very low149 Ų149147.4 Ų147.480%0.79781%0.814SS**  trans-89.3148.4173.9-97-29.4000109.6
679S27.5Very low25.9Very low120 Ų120145.5 Ų145.584%0.83981%0.807SS**  trans-147.1106.914563.60000111.5
680Q28.8Very low25.8Very low188 Ų188143.7 Ų143.788%0.87981%0.811SS**  trans-79.7143.1159-64.9173.5-34.600109
681S26.8Very low25.7Very low125 Ų125145.5 Ų145.587%0.87481%0.807SS**  trans-159.8125145.455.70000109.8
682A27.4Very low25.5Very low94 Ų94146.8 Ų146.878%0.77781%0.81SS**  trans-113.1144.1171.500000109.3
683E25.6Very low25.3Very low183 Ų183144.4 Ų144.486%0.85581%0.805SS**  trans-176.5119.4159.5-104.1163.9-160.400104.4
684S25.5Very low25.2Very low97 Ų97140.2 Ų140.268%0.67880%0.803SS**  cis83141.237.194.70000114.3
685L24.2Very low25.1Very low148 Ų148140.2 Ų140.278%0.77581%0.809SS**  trans81.1147.4178.9-53.8165.1000116.3
686Q23.8Very low25.2Very low167 Ų167140.4 Ų140.478%0.7881%0.812SS**  cis-163.9153.7-34.7-128.9175.98.300110.4
687T23.5Very low25.3Very low118 Ų118138.9 Ų138.972%0.72482%0.815SS**  trans-24.8142.9164.844.90000121.2
688Q23.8Very low25.5Very low182 Ų182136.8 Ų136.885%0.8581%0.81SS**  -176120.9126.5-95.9171.924.300107.4
689S23.8Very low26.5Very low102 Ų102134 Ų13471%0.71380%0.8SS**  76.1104.152.378.80000116.2
690V23.4Very low26.6Very low146 Ų146137.6 Ų137.689%0.88580%0.8SS**  trans-146.7153.9147-177.40000108.9
691T23.8Very low26.5Very low117 Ų117132.7 Ų132.772%0.71880%0.8SS**  trans-123.3176.1-16245.20000114.3
692M23.2Very low26.5Very low178 Ų178130.7 Ų130.788%0.87780%0.8SS**  trans80.8146.5159.1-51.1-152.284.700117.3
693A24.6Very low26.6Very low89 Ų89131.7 Ų131.774%0.73681%0.808SS**  cis-156.1170.4-4.700000111.7
694A24.8Very low26.7Very low102 Ų102126.8 Ų126.884%0.84381%0.807SS**  trans-83.9169.6178.600000114.1
695A25Very low26.8Very low103 Ų103128.4 Ų128.485%0.85182%0.818SS**  trans-148.7131.6153.400000110.7
696E27.4Very low26.9Very low193 Ų193125.2 Ų125.290%0.90282%0.82SS**  trans-87.8157.1170.7-54.2164.3128.200110.2
697S28.3Very low27.2Very low120 Ų120127.2 Ų127.284%0.83983%0.83SS**  179.6116.8128.8600000113.3
698D27.3Very low27.3Very low151 Ų151125.2 Ų125.281%0.80783%0.833SS**  trans-85.2-177.5149-146.220.6000107.3
699P48.1Very low27.5Very low92 Ų92121.7 Ų121.760%0.59784%0.835SS**  cis-146.1-168.94.141.7-19.5000117.4
700K30.5Very low27.6Very low194 Ų194125.6 Ų125.684%0.84384%0.842SS**  trans82104.9153.9-69.3175.1-176.5-178.90120.8
701G26.5Very low28.3Very low85 Ų85123.2 Ų123.288%0.87683%0.829SS**  91.4141.887.800000119.6
702G26.3Very low28.4Very low84 Ų84124 Ų12487%0.86683%0.834SS**  trans152.9116.6165.700000114.5
703A28.8Very low28.5Very low114 Ų114120.1 Ų120.194%0.94283%0.825SS**  trans-91.4158.7174.600000112.2
704G27.2Very low28.5Very low81 Ų81125.4 Ų125.484%0.83583%0.834SS**  trans-172.1116.7172.900000113.3
705S28.2Very low28.3Very low130 Ų130124.1 Ų124.191%0.90983%0.831SS**  trans-84.9160.7179.248.10000113.5
706G27.1Very low28.2Very low81 Ų81123.8 Ų123.884%0.83583%0.828SS**  trans175.1113.3167.100000114
707E28.8Very low27.9Very low209 Ų209121.3 Ų121.398%0.97783%0.831SS**  trans-79.9162.1177.7-56.2163.8121.200112.3
708G26.9Very low27.6Very low76 Ų76119 Ų11978%0.78483%0.826SS**  trans155.182.3157.300000120
709A27.8Very low27.3Very low108 Ų108124.1 Ų124.189%0.89383%0.834SS**  trans55.2122.9142.400000123.1
710E25.7Very low26.1Very low185 Ų185124.5 Ų124.586%0.86484%0.838SS**  trans-66.5178.6150.5-82.9-160.8155.700112.8
711P38.7Very low25.8Very low96 Ų96124.6 Ų124.662%0.62384%0.839SS**  cis-144.8-176.318.345.8-26.6000118.9
712T25.9Very low25.8Very low133 Ų133126.5 Ų126.582%0.81684%0.836SS**  trans64.3148.3159.2590000119.9
713S24.8Very low25.7Very low97 Ų97131.3 Ų131.368%0.67884%0.836SS**  cis-170.6161.9-15.949.60000111
714E24.5Very low25.4Very low199 Ų199132.4 Ų132.493%0.9383%0.831SS**  trans71.5129.9164.3-57.2-165.5148.500121.4
715G21.6Very low25.3Very low76 Ų76133.8 Ų133.878%0.78483%0.828SS**  117.196.1116.800000121.8
716A21.6Very low25.1Very low95 Ų95135.7 Ų135.779%0.78583%0.827SS**  trans72.5107.513800000123.9
717C22.1Very low24.9Very low142 Ų142140.4 Ų140.496%0.95983%0.827SS**  51.6126.9114.6-54.40000124.6
718G20.8Very low24.7Very low71 Ų71138.7 Ų138.773%0.73282%0.824SS**  trans154.1141.8158.500000109.2
719W21.2Very low24.5Very low259 Ų259141.4 Ų141.498%0.98183%0.825SS**  cis-157.8174.36.5-100-29000106.7
720S23.7Very low24.3Very low99 Ų99146.2 Ų146.269%0.69282%0.821SS**  cis-168.2157.1-11.1470000108.8
721K23.9Very low24.2Very low196 Ų196142.8 Ų142.885%0.85282%0.818SS**  trans-76.5156.7172.5-77.1-175.3174.7-177.70112.9
722P25.3Very low23.9Very low126 Ų126143.8 Ų143.882%0.81882%0.822SS**  -125.3162.6123.736.2-30.1000112.9
723Q24.5Very low24.2Very low184 Ų184145.9 Ų145.986%0.8682%0.823SS**  trans-120.6128.5-178.6176.1-177.4-5.700108.4
724V23.1Very low24.5Very low138 Ų138150.2 Ų150.284%0.83684%0.835SS**  trans-137.4130.9170.8-178.80000108.8
725S26.1Very low24.6Very low110 Ų110144.5 Ų144.577%0.76983%0.83SS**  trans-81.9146.2173.4490000111.4
726L23.5Very low24.9Very low170 Ų170144.4 Ų144.489%0.8983%0.829SS**  trans-138.4133.1166.5-153.673.3000111.1
727E23.1Very low25.4Very low180 Ų180147.3 Ų147.384%0.84183%0.831SS**  trans-73.5145.6173.4-66.4170.5121.400110.4T729E727-T729 PolarHBondContact O-N 3.34Å
728L23.4Very low25.9Very low173 Ų173146.1 Ų146.191%0.90682%0.819SS**  trans-92.395.6-177.4-139.681.7000110.9
729T22.3Very low26.5Very low132 Ų132150 Ų15081%0.8182%0.823SS**  trans-82.4126.7162.946.60000110.1E727E727-T729 PolarHBondContact O-N 3.34Å
730Y24Very low27.4Very low209 Ų209148 Ų14882%0.8282%0.816SS**  trans-73.2123.4-172.5-157.2-95.1000112.3
731S23.3Very low28.4Very low113 Ų113149.1 Ų149.179%0.7982%0.819SS**  trans-145.2125.1165.9-71.10000108.9
732T34.1Very low30.3Very low117 Ų117144.4 Ų144.472%0.71881%0.806SS**  trans-66.4125.5-179.923.30000112.8
733E30.4Very low33Very low177 Ų177144.8 Ų144.883%0.82780%0.801SS**  178.5143.7121.5-98.8171-159.400113
734M31.8Very low36.1Very low188 Ų188138 Ų13893%0.92677%0.773SS**  trans58.6112.7166.6-57.5-131.7-171.200120
735G26.6Very low39.3Very low80 Ų80134.6 Ų134.683%0.82575%0.75SS**  trans159.849.6172.500000112D737G735-D737 PolarHBondContact O-N 3.17Å
736G27.8Very low42.5Very low74 Ų74134.1 Ų134.176%0.76374%0.744SS**  trans-81.9107.4-174.400000112.5T738G736-T738 PolarHBondContact O-N 3.11Å
737D31.8Very low45.9Very low155 Ų155133.3 Ų133.383%0.82973%0.729SS**  trans-53.8125.6151.2-83.3-39.3000108.1G735 L739G735-D737 PolarHBondContact O-N 3.17Å; D737-L739 VanDerWaalsContact C-N 3.26Å; D737-L739 PolarHBondContact O-N 3.36Å
738T32.7Very low49.2Very low118 Ų118124.8 Ų124.872%0.72469%0.69SS**  trans-71.885.3175.3-21.40000109.1G736 Y740G736-T738 PolarHBondContact O-N 3.11Å; T738-Y740 WeakPolarHBondContact O-CD2 3.35Å; T738-Y740 PolarHBondContact O-N 3.36Å
739L34.4Very low52.4Low152 Ų152120 Ų12080%0.79667%0.669SS**  trans-57.2109.4162.9-79.5165000107.6D737 V741D737-L739 VanDerWaalsContact C-N 3.26Å; D737-L739 PolarHBondContact O-N 3.36Å; L739-V741 VanDerWaalsContact C-N 3.25Å; L739-V741 PolarHBondContact O-N 3.3Å
740Y38.5Very low55.9Low216 Ų216116 Ų11685%0.84764%0.641SS**  trans-66.687.3172.5-68.9-88.1000108.9T738 V742T738-Y740 WeakPolarHBondContact O-CD2 3.35Å; T738-Y740 PolarHBondContact O-N 3.36Å; Y740-V742 PolarHBondContact O-N 2.68Å
741V45.7Very low59.3Low124 Ų124106.4 Ų106.475%0.75260%0.604SS**  trans-70.1109.8169.9-179.50000107.3L739 D743L739-V741 VanDerWaalsContact C-N 3.25Å; L739-V741 PolarHBondContact O-N 3.3Å; V741-D743 PolarHBondContact O-N 2.82Å
742V64.6Low62.7Low96 Ų96107.6 Ų107.658%0.58260%0.602SS**  trans-77.199.3171.3-178.30000107.5Y740 P744 Y824Y740-V742 PolarHBondContact O-N 2.68Å; V742-P744 WeakPolarHBondContact O-CD 3.33Å; V742-Y824 HydrophobicContact CG1-CD2 3.64Å; V742-Y824 HydrophobicContact CG1-CE2 4.16Å
743D81.1Confident65.5Low134 Ų134103.1 Ų103.172%0.71758%0.577SS**  trans-78.8113.5178.2-166.225.5000109.8V741V741-D743 PolarHBondContact O-N 2.82Å
744P89Confident68.7Low42 Ų4295.9 Ų95.927%0.27354%0.544SS..  trans-71.6143.2-17830.1-35000111V742 Y824 H826V742-P744 WeakPolarHBondContact O-CD 3.33Å; P744-Y824 CarbonylContact C-O 3.54Å; P744-Y824 WeakPolarHBondContact CA-O 3.49Å; P744-H826 HydrophobicContact CB-CB 3.96Å; P744-H826 HydrophobicContact CG-CB 3.72Å
745L91Very high71.7Confident66 Ų6691.7 Ų91.735%0.34652%0.521SS..BIsolated β-bridgetrans-57.5127.7175.7-67.1176.5000110.3W747 C821 Y824 V825 H826L745-W747 PolarHBondContact O-N 2.9Å; L745-C821 HydrophobicContact CD1-CB 4.18Å; L745-Y824 PolarHBondContact N-O 2.97Å; L745-V825 WeakPolarHBondContact O-CA 3.43Å; L745-H826 PolarHBondContact O-N 3.48Å
746P92.4Very high74.9Confident100 Ų10092.6 Ų92.665%0.64951%0.512SS*.SBendtrans-69.7-15.7178.728-35000112.7H826 H827P746-H826 CarbonylContact C-O 3.38Å; P746-H826 VanDerWaalsContact CA-O 3.27Å; P746-H826 WeakPolarHBondContact CA-O 3.19Å; P746-H826 VanDerWaalsContact O-O 3.09Å; P746-H827 WeakPolarHBondContact O-CB 3.14Å; P746-H827 PolarHBondContact O-CD2 3.28Å
747W95.1Very high78Confident153 Ų15391 Ų9158%0.5849%0.486SS*.  trans-159.7150.8178.3179.588.3000110.7L745 P749 L751 H827L745-W747 PolarHBondContact O-N 2.9Å; W747-P749 HydrophobicContact CH2-CB 3.8Å; W747-P749 HydrophobicContact CH2-CG 4.47Å; W747-P749 HydrophobicContact CZ2-CB 4.37Å; W747-P749 HydrophobicContact CZ3-CB 4.37Å; W747-L751 HydrophobicContact CG-CD1 4.23Å; W747-H827 AromaticContact CD1-NE2 3.87Å
748C92.2Very high80.8Confident2 Ų285.2 Ų85.21%0.01446%0.457CS..  trans-147.3155.3165.583.60000111.1H750 L751 V825C748-H750 PolarHBondContact O-N 2.83Å; C748-H750 VanDerWaalsContact O-N 3.09Å; C748-L751 WeakPolarHBondContact O-CD1 3.41Å; C748-L751 WeakPolarHBondContact O-CG 3.5Å; C748-L751 PolarHBondContact O-N 2.83Å; C748-V825 HydrophobicContact CB-CG2 4.44Å
749P90.8Very high83.4Confident72 Ų7286.7 Ų86.747%0.46847%0.468SS..G310 helixtrans-67.2-12.1-176.527.8-35.8000113.9W747 L751W747-P749 HydrophobicContact CH2-CB 3.8Å; W747-P749 HydrophobicContact CH2-CG 4.47Å; W747-P749 HydrophobicContact CZ2-CB 4.37Å; W747-P749 HydrophobicContact CZ3-CB 4.37Å; P749-L751 VanDerWaalsContact C-N 3.34Å
750H96.8Very high85.7Confident48 Ų4884.7 Ų84.722%0.22247%0.467CS..G310 helixtrans-88.3-1.2-178.6-51.1116.5000113.5C748 D752 A753 P806 V807 C818 L820 C821C748-H750 PolarHBondContact O-N 2.83Å; C748-H750 VanDerWaalsContact O-N 3.09Å; H750-D752 PolarHBondContact O-N 2.89Å; H750-A753 VanDerWaalsContact O-CB 3.29Å; H750-A753 WeakPolarHBondContact O-CB 3.44Å; H750-A753 PolarHBondContact O-N 2.69Å; H750-A753 VanDerWaalsContact O-N 3.09Å; H750-P806 HydrophobicContact CB-CB 3.99Å; H750-P806 HydrophobicContact CB-CG 3.8Å; H750-V807 HydrophobicContact CB-CG2 4.26Å; H750-V807 WeakPolarHBondContact O-CG2 3.39Å; H750-C818 PolarHBondContact ND1-SG 3.46Å; H750-C818 VanDerWaalsContact ND1-SG 3.4Å; H750-L820 WeakPolarHBondContact CE1-CB 3.19Å; H750-C821 VanDerWaalsContact CE1-SG 3.53Å; H750-C821 PolarHBondContact ND1-SG 3.26Å
751L95.9Very high88.1Confident7 Ų776 Ų764%0.03744%0.443CS..G310 helixtrans-62.1-25.2176.2-72.7166.1000112.9W747 C748 P749 A753 V754 V825 H827 V829 L830W747-L751 HydrophobicContact CG-CD1 4.23Å; C748-L751 WeakPolarHBondContact O-CD1 3.41Å; C748-L751 WeakPolarHBondContact O-CG 3.5Å; C748-L751 PolarHBondContact O-N 2.83Å; P749-L751 VanDerWaalsContact C-N 3.34Å; L751-A753 PolarHBondContact O-N 3.39Å; L751-V754 VanDerWaalsContact O-CB 3.31Å; L751-V754 WeakPolarHBondContact O-CB 3.27Å; L751-V754 WeakPolarHBondContact O-CG2 3.45Å; L751-V754 PolarHBondContact O-N 3.04Å; L751-V825 HydrophobicContact CD1-CG1 4.4Å; L751-V825 HydrophobicContact CD2-CG1 4.06Å; L751-V825 HydrophobicContact CG-CG1 4.47Å; L751-H827 HydrophobicContact CD1-CB 3.69Å; L751-H827 HydrophobicContact CD2-CB 4.24Å; L751-V829 HydrophobicContact CD2-CG1 4.25Å; L751-L830 HydrophobicContact CD2-CD1 4.1Å; L751-L830 HydrophobicContact CD2-CD2 3.91Å; L751-L830 HydrophobicContact CD2-CG 3.96Å
752D93.1Very high90.3Very high139 Ų13970.8 Ų70.874%0.74341%0.411SS*.G310 helixtrans-65.4-16.1174.7-65.8-10.4000113.3H750 V754H750-D752 PolarHBondContact O-N 2.89Å; D752-V754 VanDerWaalsContact C-N 3.32Å
753A94.4Very high91.6Very high23 Ų2370.1 Ų70.119%0.1941%0.405CS..G310 helixtrans-78.3-14.9173.500000113.1H750 L751 T782 P806H750-A753 VanDerWaalsContact O-CB 3.29Å; H750-A753 WeakPolarHBondContact O-CB 3.44Å; H750-A753 PolarHBondContact O-N 2.69Å; H750-A753 VanDerWaalsContact O-N 3.09Å; L751-A753 PolarHBondContact O-N 3.39Å; A753-T782 WeakPolarHBondContact O-CB 3.45Å; A753-T782 WeakPolarHBondContact O-CG2 3.4Å; A753-T782 PolarHBondContact O-OG1 3.18Å; A753-P806 HydrophobicContact CB-CG 3.51Å
754V96.2Very high92.2Very high24 Ų2464.4 Ų64.415%0.14537%0.374CS..  trans-68.5132.6176.71780000109.2L751 D752 L781 V807 V829 L830L751-V754 VanDerWaalsContact O-CB 3.31Å; L751-V754 WeakPolarHBondContact O-CB 3.27Å; L751-V754 WeakPolarHBondContact O-CG2 3.45Å; L751-V754 PolarHBondContact O-N 3.04Å; D752-V754 VanDerWaalsContact C-N 3.32Å; V754-L781 WeakPolarHBondContact CA-O 3.4Å; V754-L781 HydrophobicContact CG1-CB 4.29Å; V754-L781 HydrophobicContact CG2-CB 4.22Å; V754-L781 HydrophobicContact CG2-CD1 4.47Å; V754-V807 HydrophobicContact CG2-CB 4.25Å; V754-V807 HydrophobicContact CG2-CG1 4.19Å; V754-V807 HydrophobicContact CG2-CG2 4.38Å; V754-V829 HydrophobicContact CB-CG1 3.87Å; V754-V829 HydrophobicContact CG1-CG1 3.94Å; V754-V829 HydrophobicContact CG2-CG1 4.06Å; V754-L830 HydrophobicContact CG2-CD2 3.88Å
755K95.9Very high92.4Very high100 Ų10069.5 Ų69.544%0.43539%0.393SS..  trans-107160.3176.9-59.8-52.4174.1-152.90111.2L781 T782 Y784K755-L781 PolarHBondContact N-O 2.97Å; K755-T782 HydrophobicContact CG-CG2 4.42Å; K755-T782 VanDerWaalsContact CG-O 3.25Å; K755-T782 WeakPolarHBondContact CG-O 3.17Å; K755-Y784 HydrophobicContact CB-CE2 4.37Å; K755-Y784 PolarHBondContact O-OH 2.97Å
756P94Very high92.6Very high99 Ų9970.2 Ų70.264%0.64339%0.394SS*.PPolyproline II helixtrans-62.7156.3172.2-21.634000111.9Y784P756-Y784 WeakPolarHBondContact O-CE2 3.42Å; P756-Y784 PolarHBondContact O-OH 2.8Å
757L92.6Very high92.7Very high42 Ų4268.8 Ų68.822%0.2238%0.384CS..PPolyproline II helixtrans-58.5142.3180-74.2178.5000112.9V762 Y784 E832 A833 A836L757-V762 HydrophobicContact CD2-CG2 3.6Å; L757-Y784 HydrophobicContact CD2-CE1 3.76Å; L757-E832 HydrophobicContact CD1-CG 3.77Å; L757-E832 HydrophobicContact CG-CG 4.08Å; L757-A833 HydrophobicContact CD2-CB 4.38Å; L757-A836 HydrophobicContact CD1-CB 3.5Å; L757-A836 VanDerWaalsContact CD1-CB 3.5Å; L757-A836 HydrophobicContact CD2-CB 4.32Å
758P90.4Very high92.8Very high33 Ų3361.6 Ų61.621%0.21436%0.357CS..PPolyproline II helixtrans-68.6151.9172.230.8-35.2000110.3S760 G761 Y784P758-S760 PolarHBondContact O-N 2.68Å; P758-G761 PolarHBondContact O-N 2.98Å; P758-Y784 HydrophobicContact CG-CD1 4.14Å; P758-Y784 HydrophobicContact CG-CD2 4.32Å; P758-Y784 HydrophobicContact CG-CG 4Å
759P86.9Confident93Very high149 Ų14964.5 Ų64.597%0.96838%0.377SS*.THydrogen-bonded Turntrans-59.9-14.6178.9-25.835000115.4G761P759-G761 VanDerWaalsContact C-N 3.34Å
760S83.6Confident93.1Very high109 Ų10966 Ų6676%0.76238%0.381SS*.THydrogen-bonded Turntrans-78.5-12.4172.951.40000114.3P758P758-S760 PolarHBondContact O-N 2.68Å
761G88.4Confident93Very high33 Ų3366.5 Ų66.534%0.3439%0.389SS..  trans73.1-166.2-169.400000113.2P758 P759P758-G761 PolarHBondContact O-N 2.98Å; P759-G761 VanDerWaalsContact C-N 3.34Å
762V91.9Very high93Very high15 Ų1568.3 Ų68.39%0.09141%0.41CS..  trans-105.7125.1175.7-179.80000108.9L757 V764 I779 F811 A836 A837 A840L757-V762 HydrophobicContact CD2-CG2 3.6Å; V762-V764 HydrophobicContact CG1-CG1 4.13Å; V762-I779 HydrophobicContact CG1-CD1 4.16Å; V762-F811 HydrophobicContact CG1-CE1 3.78Å; V762-F811 HydrophobicContact CG1-CZ 4.11Å; V762-A836 HydrophobicContact CB-CB 4.5Å; V762-A836 HydrophobicContact CG2-CB 4.09Å; V762-A837 HydrophobicContact CG1-CB 4.22Å; V762-A840 VanDerWaalsContact O-CB 3.25Å; V762-A840 WeakPolarHBondContact O-CB 3.36Å
763D91.6Very high93.1Very high83 Ų8362.8 Ų62.844%0.44438%0.382SS..  trans-101.9105.4168.7-176.5-0.4000109.6F765 Q766 F811D763-F765 PolarHBondContact O-N 3.03Å; D763-F765 WeakPolarHBondContact OD1-CB 3.33Å; D763-F765 PolarHBondContact OD1-N 2.97Å; D763-Q766 HydrophobicContact CB-CB 4.4Å; D763-Q766 WeakPolarHBondContact O-CB 3.21Å; D763-Q766 PolarHBondContact O-N 3Å; D763-F811 WeakPolarHBondContact O-CE2 3.36Å; D763-F811 WeakPolarHBondContact O-CZ 3.49Å
764V93.1Very high93Very high13 Ų1367.7 Ų67.78%0.07941%0.405CS..THydrogen-bonded Turntrans-74.6-8.6-179.9-62.20000113.8V762 F811 A837 A840 K841V762-V764 HydrophobicContact CG1-CG1 4.13Å; V764-F811 HydrophobicContact CB-CB 4.44Å; V764-F811 HydrophobicContact CB-CD1 4.1Å; V764-F811 HydrophobicContact CB-CD2 4.4Å; V764-F811 HydrophobicContact CB-CE1 4.37Å; V764-F811 HydrophobicContact CB-CG 4.1Å; V764-F811 HydrophobicContact CG1-CD1 3.81Å; V764-F811 HydrophobicContact CG1-CE1 3.93Å; V764-F811 HydrophobicContact CG1-CG 4.32Å; V764-F811 VanDerWaalsContact O-CD2 3.26Å; V764-F811 WeakPolarHBondContact O-CD2 3.21Å; V764-A837 HydrophobicContact CG1-CB 3.96Å; V764-A837 WeakPolarHBondContact CG1-O 3.41Å; V764-A840 HydrophobicContact CG1-CB 4.12Å; V764-A840 HydrophobicContact CG2-CB 4.14Å; V764-K841 HydrophobicContact CG2-CB 3.88Å; V764-K841 HydrophobicContact CG2-CG 4.35Å
765F93.4Very high92.8Very high150 Ų15069.6 Ų69.666%0.65842%0.419SS*.THydrogen-bonded Turntrans-96.41.8176.2-54.4-74.5000112.3D763 V767 A840D763-F765 PolarHBondContact O-N 3.03Å; D763-F765 WeakPolarHBondContact OD1-CB 3.33Å; D763-F765 PolarHBondContact OD1-N 2.97Å; F765-V767 PolarHBondContact O-N 3.19Å; F765-A840 WeakPolarHBondContact CE2-O 3.39Å
766Q94.8Very high92.6Very high81 Ų8168.8 Ų68.838%0.37942%0.417SS..PPolyproline II helixtrans-63.5131.6177.3-174172-14.600111.1D763 N777 V786D763-Q766 HydrophobicContact CB-CB 4.4Å; D763-Q766 WeakPolarHBondContact O-CB 3.21Å; D763-Q766 PolarHBondContact O-N 3Å; Q766-N777 PolarHBondContact O-ND2 2.9Å; Q766-V786 HydrophobicContact CB-CB 4.43Å; Q766-V786 HydrophobicContact CB-CG1 4.18Å; Q766-V786 HydrophobicContact CB-CG2 4.24Å; Q766-V786 HydrophobicContact CG-CB 4.03Å; Q766-V786 HydrophobicContact CG-CG1 4.15Å; Q766-V786 HydrophobicContact CG-CG2 4.12Å
767V96.5Very high92.8Very high70 Ų7064.4 Ų64.442%0.42439%0.388SS..PPolyproline II helixtrans-76.7156.8175.3-62.10000111.6F765 S769 S773 D774 N777F765-V767 PolarHBondContact O-N 3.19Å; V767-S769 PolarHBondContact O-N 2.81Å; V767-S773 CarbonylContact C-O 3.51Å; V767-S773 WeakPolarHBondContact CA-O 3.43Å; V767-S773 WeakPolarHBondContact CB-O 3.33Å; V767-D774 HydrophobicContact CG1-CB 4.21Å; V767-N777 WeakPolarHBondContact CA-ND2 3.38Å
768C96.9Very high93Very high2 Ų264 Ų641%0.01438%0.384CS..PPolyproline II helixtrans-55.6127174.8171.80000111.4D770 C771 G772 S773 N777 V786 C788C768-D770 VanDerWaalsContact C-N 3.29Å; C768-D770 PolarHBondContact O-N 3.38Å; C768-C771 VanDerWaalsContact SG-SG 3.63Å; C768-G772 WeakPolarHBondContact O-CA 3.43Å; C768-G772 PolarHBondContact O-N 2.96Å; C768-S773 PolarHBondContact N-O 3.48Å; C768-N777 PolarHBondContact N-ND2 3.37Å; C768-V786 WeakPolarHBondContact CA-O 3.44Å; C768-C788 HydrophobicContact CB-CB 3.94Å; C768-C788 PolarHBondContact SG-N 3.26Å
769S95.7Very high93.4Very high63 Ų6362.7 Ų62.744%0.44138%0.375SS..THydrogen-bonded Turntrans-57.4-38.4-17954.80000113.3V767 E785 V786 C787V767-S769 PolarHBondContact O-N 2.81Å; S769-E785 PolarHBondContact OG-OE1 3.49Å; S769-V786 PolarHBondContact N-O 3.29Å; S769-V786 PolarHBondContact OG-O 3.45Å; S769-C787 PolarHBondContact OG-SG 2.83Å
770D93.8Very high93.9Very high103 Ų10355.6 Ų55.655%0.55133%0.329SS*.THydrogen-bonded Turntrans-78.9-44.1-176.3-75.9-30.5000114.7C768 H795C768-D770 VanDerWaalsContact C-N 3.29Å; C768-D770 PolarHBondContact O-N 3.38Å; D770-H795 HydrophobicContact CB-CB 4.31Å; D770-H795 IonicContact OD2-CD2 2.82Å; D770-H795 PolarHBondContact OD2-CD2 3.24Å; D770-H795 VanDerWaalsContact OD2-CD2 3.26Å; D770-H795 IonicContact OD2-CG 2.8Å
771C94.5Very high94.6Very high58 Ų5850.5 Ų50.539%0.39229%0.293SS..THydrogen-bonded Turntrans-122.9-3.8-171.570.60000116C768 S773C768-C771 VanDerWaalsContact SG-SG 3.63Å; C771-S773 PolarHBondContact O-N 3.33Å
772G95.3Very high95Very high46 Ų4650.1 Ų50.147%0.47428%0.284SS..  trans70.812.2179.900000115.4C768C768-G772 WeakPolarHBondContact O-CA 3.43Å; C768-G772 PolarHBondContact O-N 2.96Å
773S94.1Very high95.2Very high22 Ų2252.1 Ų52.115%0.15430%0.298CS..  trans-60.2136.8171.8-178.40000111.2V767 C768 C771 S775 N777V767-S773 CarbonylContact C-O 3.51Å; V767-S773 WeakPolarHBondContact CA-O 3.43Å; V767-S773 WeakPolarHBondContact CB-O 3.33Å; C768-S773 PolarHBondContact N-O 3.48Å; C771-S773 PolarHBondContact O-N 3.33Å; S773-S775 PolarHBondContact OG-N 2.91Å; S773-S775 VanDerWaalsContact OG-N 3.17Å; S773-S775 PolarHBondContact OG-O 3.5Å; S773-N777 PolarHBondContact O-ND2 2.88Å; S773-N777 PolarHBondContact O-OD1 3.02Å
774D93.2Very high95.4Very high126 Ų12649.9 Ų49.967%0.67428%0.284SS*.  trans-92.9-11.3168.759.33000112.9V767V767-D774 HydrophobicContact CG1-CB 4.21Å
775S91.4Very high95.6Very high65 Ų6552.7 Ų52.746%0.45530%0.296SS..SBendtrans-95.2134.8-171.2-62.30000112.2S773 N777S773-S775 PolarHBondContact OG-N 2.91Å; S773-S775 VanDerWaalsContact OG-N 3.17Å; S773-S775 PolarHBondContact OG-O 3.5Å; S775-N777 PolarHBondContact O-N 3.15Å; S775-N777 PolarHBondContact O-OD1 3.31Å
776E92.5Very high95.8Very high83 Ų8345.6 Ų45.639%0.38827%0.265SS..SBendtrans40.255.8-175.2-59.3-166157.200114.5W778 G789 V792E776-W778 VanDerWaalsContact O-CD1 3.26Å; E776-G789 WeakPolarHBondContact O-CA 3.37Å; E776-G789 PolarHBondContact O-N 2.78Å; E776-V792 HydrophobicContact CB-CG2 3.78Å; E776-V792 HydrophobicContact CG-CG2 4.29Å
777N97.2Very high95.9Very high6 Ų641.7 Ų41.73%0.03225%0.247CC..EExtended strand (participates in β ladder)trans-80.5149.1174.8-69.3-25.3000112.4Q766 V767 C768 S773 S775 V786 C788 F811Q766-N777 PolarHBondContact O-ND2 2.9Å; V767-N777 WeakPolarHBondContact CA-ND2 3.38Å; C768-N777 PolarHBondContact N-ND2 3.37Å; S773-N777 PolarHBondContact O-ND2 2.88Å; S773-N777 PolarHBondContact O-OD1 3.02Å; S775-N777 PolarHBondContact O-N 3.15Å; S775-N777 PolarHBondContact O-OD1 3.31Å; N777-V786 HydrophobicContact CB-CG1 4.04Å; N777-C788 VanDerWaalsContact OD1-CA 3.31Å; N777-C788 WeakPolarHBondContact OD1-CA 3.37Å; N777-C788 WeakPolarHBondContact OD1-CB 3.33Å; N777-F811 HydrophobicContact CB-CD2 3.93Å; N777-F811 VanDerWaalsContact O-CB 3.32Å; N777-F811 WeakPolarHBondContact O-CB 3.44Å; N777-F811 PolarHBondContact O-N 3.03Å
778W98.1Very high95.9Very high33 Ų3338.4 Ų38.413%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-127.9154178.3-66.765.1000108.4E776 V786 C787 G789 M796 V808 L809 W817 Y824E776-W778 VanDerWaalsContact O-CD1 3.26Å; W778-V786 VanDerWaalsContact O-CA 3.32Å; W778-V786 WeakPolarHBondContact O-CA 3.46Å; W778-C787 PolarHBondContact N-O 3.34Å; W778-C787 PolarHBondContact O-N 3.37Å; W778-G789 VanDerWaalsContact CD1-CA 3.44Å; W778-M796 HydrophobicContact CB-CB 4.19Å; W778-M796 HydrophobicContact CB-CE 4.27Å; W778-M796 HydrophobicContact CB-CG 3.82Å; W778-M796 WeakPolarHBondContact O-CE 3.27Å; W778-V808 HydrophobicContact CE3-CB 4.15Å; W778-V808 HydrophobicContact CE3-CG2 3.58Å; W778-V808 HydrophobicContact CZ3-CG2 3.95Å; W778-L809 CarbonylContact C-O 3.51Å; W778-L809 WeakPolarHBondContact CA-O 3.46Å; W778-W817 HydrophobicContact CH2-CB 4.08Å; W778-W817 HydrophobicContact CZ3-CB 3.63Å; W778-Y824 HydrophobicContact CH2-CE1 4.37Å
779I98Very high95.7Very high6 Ų638.3 Ų38.33%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-116.2136.3173.9-168.2163.6000111.2V762 L781 Y784 E785 V786 V808 L809 F811V762-I779 HydrophobicContact CG1-CD1 4.16Å; I779-L781 HydrophobicContact CG2-CD2 4.29Å; I779-Y784 HydrophobicContact CD1-CD1 3.75Å; I779-Y784 HydrophobicContact CD1-CG 4.5Å; I779-Y784 HydrophobicContact CG1-CD1 4.21Å; I779-E785 WeakPolarHBondContact CA-O 3.2Å; I779-V786 HydrophobicContact CB-CG2 4.06Å; I779-V786 HydrophobicContact CD1-CG2 3.84Å; I779-V786 HydrophobicContact CG1-CG2 3.82Å; I779-V808 CarbonylContact O-C 3.58Å; I779-V808 WeakPolarHBondContact O-CA 3.44Å; I779-L809 HydrophobicContact CG2-CB 3.88Å; I779-L809 HydrophobicContact CG2-CD2 3.95Å; I779-L809 PolarHBondContact N-O 3.5Å; I779-L809 PolarHBondContact O-N 2.96Å; I779-F811 HydrophobicContact CB-CE1 3.71Å; I779-F811 HydrophobicContact CB-CZ 3.68Å; I779-F811 HydrophobicContact CD1-CE1 4.47Å; I779-F811 HydrophobicContact CD1-CZ 4.09Å; I779-F811 HydrophobicContact CG1-CZ 4.43Å; I779-F811 HydrophobicContact CG2-CD1 4.32Å; I779-F811 HydrophobicContact CG2-CE1 3.49Å; I779-F811 VanDerWaalsContact CG2-CE1 3.49Å; I779-F811 HydrophobicContact CG2-CZ 4Å
780C97.8Very high95.6Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-75.7124.2174.9176.30000110.9T782 C783 Y784 E785 M796 H799 H805C780-T782 PolarHBondContact O-N 2.99Å; C780-T782 PolarHBondContact SG-N 3.02Å; C780-T782 VanDerWaalsContact SG-N 3.45Å; C780-C783 VanDerWaalsContact SG-SG 3.61Å; C780-Y784 WeakPolarHBondContact O-CA 3.44Å; C780-Y784 PolarHBondContact O-N 2.87Å; C780-E785 PolarHBondContact N-O 3.1Å; C780-M796 HydrophobicContact CB-CE 4.31Å; C780-M796 HydrophobicContact CB-SD 4.19Å; C780-H799 PolarHBondContact SG-NE2 2.91Å; C780-H805 VanDerWaalsContact SG-CB 3.5Å
781L97.7Very high95.4Very high2 Ų244.1 Ų44.11%0.0123%0.232CC..THydrogen-bonded Turntrans-811.2-179.3-61.4-170.2000113.8V754 K755 I779 V807 L809 V816 L830 A833V754-L781 WeakPolarHBondContact CA-O 3.4Å; V754-L781 HydrophobicContact CG1-CB 4.29Å; V754-L781 HydrophobicContact CG2-CB 4.22Å; V754-L781 HydrophobicContact CG2-CD1 4.47Å; K755-L781 PolarHBondContact N-O 2.97Å; I779-L781 HydrophobicContact CG2-CD2 4.29Å; L781-V807 HydrophobicContact CB-CG1 4.49Å; L781-V807 HydrophobicContact CD1-CG1 3.97Å; L781-V807 PolarHBondContact N-O 2.82Å; L781-L809 HydrophobicContact CD1-CB 4.29Å; L781-L809 HydrophobicContact CD2-CB 3.91Å; L781-L809 HydrophobicContact CG-CB 4.2Å; L781-V816 HydrophobicContact CD1-CG1 4.18Å; L781-V816 HydrophobicContact CD1-CG2 4.46Å; L781-L830 HydrophobicContact CD1-CD2 3.68Å; L781-A833 HydrophobicContact CD1-CB 4.43Å; L781-A833 HydrophobicContact CD2-CB 3.82Å
782T96.9Very high95.3Very high26 Ų2643.7 Ų43.716%0.1623%0.227CC..THydrogen-bonded Turntrans-99.7-37.7174.9-55.40000112.7A753 K755 C780 H805A753-T782 WeakPolarHBondContact O-CB 3.45Å; A753-T782 WeakPolarHBondContact O-CG2 3.4Å; A753-T782 PolarHBondContact O-OG1 3.18Å; K755-T782 HydrophobicContact CG-CG2 4.42Å; K755-T782 VanDerWaalsContact CG-O 3.25Å; K755-T782 WeakPolarHBondContact CG-O 3.17Å; C780-T782 PolarHBondContact O-N 2.99Å; C780-T782 PolarHBondContact SG-N 3.02Å; C780-T782 VanDerWaalsContact SG-N 3.45Å; T782-H805 WeakPolarHBondContact CG2-CD2 3.44Å
783C96.4Very high95.2Very high57 Ų5746 Ų4639%0.38523%0.229SC..THydrogen-bonded Turntrans-129.1-2.2-178.2700000115.7C780 E785 H799 H805C780-C783 VanDerWaalsContact SG-SG 3.61Å; C783-E785 PolarHBondContact O-N 3.26Å; C783-H799 PolarHBondContact SG-CE1 2.59Å; C783-H799 PolarHBondContact SG-NE2 2.84Å; C783-H799 VanDerWaalsContact SG-NE2 3.38Å; C783-H805 PolarHBondContact SG-ND1 3.21Å
784Y95.9Very high95.3Very high35 Ų3549.9 Ų49.914%0.13725%0.245CC..  trans62.120.9-179.7-62.9-86.4000115.9K755 P756 L757 P758 I779 C780K755-Y784 HydrophobicContact CB-CE2 4.37Å; K755-Y784 PolarHBondContact O-OH 2.97Å; P756-Y784 WeakPolarHBondContact O-CE2 3.42Å; P756-Y784 PolarHBondContact O-OH 2.8Å; L757-Y784 HydrophobicContact CD2-CE1 3.76Å; P758-Y784 HydrophobicContact CG-CD1 4.14Å; P758-Y784 HydrophobicContact CG-CD2 4.32Å; P758-Y784 HydrophobicContact CG-CG 4Å; I779-Y784 HydrophobicContact CD1-CD1 3.75Å; I779-Y784 HydrophobicContact CD1-CG 4.5Å; I779-Y784 HydrophobicContact CG1-CD1 4.21Å; C780-Y784 WeakPolarHBondContact O-CA 3.44Å; C780-Y784 PolarHBondContact O-N 2.87Å
785E96.7Very high95.6Very high72 Ų7245.9 Ų45.934%0.33622%0.222SC..  trans-70.2141.7166.5-175.3161.8-152.600111.2S769 I779 C780 C783 M796 H799S769-E785 PolarHBondContact OG-OE1 3.49Å; I779-E785 WeakPolarHBondContact CA-O 3.2Å; C780-E785 PolarHBondContact N-O 3.1Å; C783-E785 PolarHBondContact O-N 3.26Å; E785-M796 VanDerWaalsContact O-CE 3.26Å; E785-M796 WeakPolarHBondContact O-CE 3.45Å; E785-H799 IonicContact OE2-CE1 2.67Å; E785-H799 PolarHBondContact OE2-CE1 2.9Å; E785-H799 IonicContact OE2-ND1 2.94Å; E785-H799 PolarHBondContact OE2-ND1 3.28Å
786V97.8Very high95.9Very high1 Ų142.8 Ų42.81%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-112.9119.4-178.1175.80000110.2Q766 C768 S769 N777 W778 I779 F811Q766-V786 HydrophobicContact CB-CB 4.43Å; Q766-V786 HydrophobicContact CB-CG1 4.18Å; Q766-V786 HydrophobicContact CB-CG2 4.24Å; Q766-V786 HydrophobicContact CG-CB 4.03Å; Q766-V786 HydrophobicContact CG-CG1 4.15Å; Q766-V786 HydrophobicContact CG-CG2 4.12Å; C768-V786 WeakPolarHBondContact CA-O 3.44Å; S769-V786 PolarHBondContact N-O 3.29Å; S769-V786 PolarHBondContact OG-O 3.45Å; N777-V786 HydrophobicContact CB-CG1 4.04Å; W778-V786 VanDerWaalsContact O-CA 3.32Å; W778-V786 WeakPolarHBondContact O-CA 3.46Å; I779-V786 HydrophobicContact CB-CG2 4.06Å; I779-V786 HydrophobicContact CD1-CG2 3.84Å; I779-V786 HydrophobicContact CG1-CG2 3.82Å; V786-F811 HydrophobicContact CG1-CD2 4.48Å; V786-F811 HydrophobicContact CG1-CE2 3.73Å; V786-F811 HydrophobicContact CG1-CZ 4.48Å; V786-F811 HydrophobicContact CG2-CE2 4Å; V786-F811 HydrophobicContact CG2-CZ 3.97Å
787C97.9Very high96Very high0 Ų040.6 Ų40.60%019%0.192CC..EExtended strand (participates in β ladder)trans-136155.4-178.5-69.20000111.4S769 W778 H795 M796S769-C787 PolarHBondContact OG-SG 2.83Å; W778-C787 PolarHBondContact N-O 3.34Å; W778-C787 PolarHBondContact O-N 3.37Å; C787-H795 HydrophobicContact CB-CB 3.79Å; C787-M796 HydrophobicContact CB-CB 3.8Å; C787-M796 HydrophobicContact CB-CE 3.64Å; C787-M796 HydrophobicContact CB-SD 4.37Å; C787-M796 VanDerWaalsContact N-CE 3.32Å
788C97.1Very high95.9Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-70.7147.2176.767.80000111.6C768 N777 V792 H795 M796C768-C788 HydrophobicContact CB-CB 3.94Å; C768-C788 PolarHBondContact SG-N 3.26Å; N777-C788 VanDerWaalsContact OD1-CA 3.31Å; N777-C788 WeakPolarHBondContact OD1-CA 3.37Å; N777-C788 WeakPolarHBondContact OD1-CB 3.33Å; C788-V792 HydrophobicContact CB-CB 3.96Å; C788-V792 HydrophobicContact CB-CG1 3.94Å; C788-H795 PolarHBondContact O-N 3.25Å; C788-H795 PolarHBondContact SG-ND1 2.83Å; C788-M796 PolarHBondContact O-N 3.14Å
789G92.5Very high95.8Very high0 Ų043 Ų430%021%0.21CC..  trans-70.7-178.8-175.400000114.9E776 W778 Y791 V792 E794E776-G789 WeakPolarHBondContact O-CA 3.37Å; E776-G789 PolarHBondContact O-N 2.78Å; W778-G789 VanDerWaalsContact CD1-CA 3.44Å; G789-Y791 VanDerWaalsContact C-N 3.31Å; G789-Y791 PolarHBondContact O-N 3.42Å; G789-V792 PolarHBondContact O-N 3.07Å; G789-E794 PolarHBondContact O-N 1.91Å; G789-E794 VanDerWaalsContact O-N 3.11Å
790R91.8Very high95.6Very high98 Ų9843.1 Ų43.137%0.3721%0.212SC..THydrogen-bonded Turntrans-57.5-39.9-175.5-176178.9-76.6165.7-8.2112.8V792 E794 V797R790-V792 VanDerWaalsContact C-N 3.27Å; R790-V792 PolarHBondContact O-N 3.27Å; R790-E794 HydrophobicContact CG-CG 4.41Å; R790-E794 WeakPolarHBondContact O-CG 3.48Å; R790-V797 HydrophobicContact CB-CG2 4Å; R790-V797 HydrophobicContact CG-CG2 4.36Å
791Y90.4Very high95.2Very high191 Ų19146.9 Ų46.975%0.74924%0.243SC*.THydrogen-bonded Turntrans-85.97-174.6-54.4-67.9000114.5G789G789-Y791 VanDerWaalsContact C-N 3.31Å; G789-Y791 PolarHBondContact O-N 3.42Å
792V92.8Very high95Very high48 Ų4852.6 Ų52.629%0.29128%0.278SS..THydrogen-bonded Turntrans-112.6-73-177.7-173.60000111.5E776 C788 G789 R790E776-V792 HydrophobicContact CB-CG2 3.78Å; E776-V792 HydrophobicContact CG-CG2 4.29Å; C788-V792 HydrophobicContact CB-CB 3.96Å; C788-V792 HydrophobicContact CB-CG1 3.94Å; G789-V792 PolarHBondContact O-N 3.07Å; R790-V792 VanDerWaalsContact C-N 3.27Å; R790-V792 PolarHBondContact O-N 3.27Å
793N94Very high94.8Very high94 Ų9453.2 Ų53.250%0.50328%0.284SS..THydrogen-bonded Turntrans-143.715.2171.9-65.1-86.9000112.6H795N793-H795 VanDerWaalsContact CB-CE1 3.49Å; N793-H795 WeakPolarHBondContact CB-CE1 2.75Å; N793-H795 PolarHBondContact O-N 2.76Å
794E96.1Very high94.7Very high105 Ų10558.6 Ų58.649%0.49130%0.303SS..  trans59.313.4175.4-57.2-176.4162.900116.4G789 R790 M796 V797 T798G789-E794 PolarHBondContact O-N 1.91Å; G789-E794 VanDerWaalsContact O-N 3.11Å; R790-E794 HydrophobicContact CG-CG 4.41Å; R790-E794 WeakPolarHBondContact O-CG 3.48Å; E794-M796 VanDerWaalsContact C-N 3.29Å; E794-M796 PolarHBondContact O-N 3.4Å; E794-V797 HydrophobicContact CB-CB 4.33Å; E794-V797 HydrophobicContact CB-CG2 4.43Å; E794-V797 WeakPolarHBondContact O-CA 3.44Å; E794-V797 WeakPolarHBondContact O-CB 3.49Å; E794-V797 PolarHBondContact O-N 3.49Å; E794-T798 PolarHBondContact O-N 2.77Å; E794-T798 PolarHBondContact O-OG1 2.63Å; E794-T798 VanDerWaalsContact O-OG1 3.06Å
795H97.6Very high94.8Very high42 Ų4258.9 Ų58.919%0.19431%0.306CS..Hα-helixtrans-59.6-34.5-178.2-66.5124.7000113.1D770 C787 C788 N793 T798 H799D770-H795 HydrophobicContact CB-CB 4.31Å; D770-H795 IonicContact OD2-CD2 2.82Å; D770-H795 PolarHBondContact OD2-CD2 3.24Å; D770-H795 VanDerWaalsContact OD2-CD2 3.26Å; D770-H795 IonicContact OD2-CG 2.8Å; C787-H795 HydrophobicContact CB-CB 3.79Å; C788-H795 PolarHBondContact O-N 3.25Å; C788-H795 PolarHBondContact SG-ND1 2.83Å; N793-H795 VanDerWaalsContact CB-CE1 3.49Å; N793-H795 WeakPolarHBondContact CB-CE1 2.75Å; N793-H795 PolarHBondContact O-N 2.76Å; H795-T798 PolarHBondContact O-N 2.99Å; H795-H799 VanDerWaalsContact O-CB 3.31Å; H795-H799 WeakPolarHBondContact O-CB 3.44Å; H795-H799 PolarHBondContact O-N 3.18Å
796M97.8Very high94.7Very high0 Ų055.9 Ų55.90%029%0.292CS..Hα-helixtrans-71.9-32.2174.5-171.252.772.900113W778 C780 E785 C787 C788 E794 H799 G800 V808 Y819W778-M796 HydrophobicContact CB-CB 4.19Å; W778-M796 HydrophobicContact CB-CE 4.27Å; W778-M796 HydrophobicContact CB-CG 3.82Å; W778-M796 WeakPolarHBondContact O-CE 3.27Å; C780-M796 HydrophobicContact CB-CE 4.31Å; C780-M796 HydrophobicContact CB-SD 4.19Å; E785-M796 VanDerWaalsContact O-CE 3.26Å; E785-M796 WeakPolarHBondContact O-CE 3.45Å; C787-M796 HydrophobicContact CB-CB 3.8Å; C787-M796 HydrophobicContact CB-CE 3.64Å; C787-M796 HydrophobicContact CB-SD 4.37Å; C787-M796 VanDerWaalsContact N-CE 3.32Å; C788-M796 PolarHBondContact O-N 3.14Å; E794-M796 VanDerWaalsContact C-N 3.29Å; E794-M796 PolarHBondContact O-N 3.4Å; M796-H799 PolarHBondContact O-N 2.78Å; M796-H799 HydrophobicContact SD-CB 4.1Å; M796-G800 PolarHBondContact O-N 3.21Å; M796-V808 HydrophobicContact CG-CB 4.24Å; M796-V808 HydrophobicContact CG-CG1 3.78Å; M796-V808 HydrophobicContact SD-CG1 3.68Å; M796-Y819 HydrophobicContact CG-CE2 4.36Å; M796-Y819 WeakPolarHBondContact CG-OH 3.49Å
797V94.6Very high94.7Very high36 Ų3655.9 Ų55.922%0.21829%0.292CS..Hα-helixtrans-68-43.3173.7-173.20000109.7R790 E794 G800 A801 Y819R790-V797 HydrophobicContact CB-CG2 4Å; R790-V797 HydrophobicContact CG-CG2 4.36Å; E794-V797 HydrophobicContact CB-CB 4.33Å; E794-V797 HydrophobicContact CB-CG2 4.43Å; E794-V797 WeakPolarHBondContact O-CA 3.44Å; E794-V797 WeakPolarHBondContact O-CB 3.49Å; E794-V797 PolarHBondContact O-N 3.49Å; V797-G800 PolarHBondContact O-N 2.97Å; V797-A801 WeakPolarHBondContact O-CB 3.43Å; V797-A801 PolarHBondContact O-N 3.1Å; V797-Y819 HydrophobicContact CG2-CE1 4.08Å; V797-Y819 PolarHBondContact N-OH 3.13Å
798T95Very high94.7Very high70 Ų7055.9 Ų55.943%0.42929%0.292SS..Hα-helixtrans-61.6-45.1174.4-56.20000111.2E794 H795 A801 V802E794-T798 PolarHBondContact O-N 2.77Å; E794-T798 PolarHBondContact O-OG1 2.63Å; E794-T798 VanDerWaalsContact O-OG1 3.06Å; H795-T798 PolarHBondContact O-N 2.99Å; T798-A801 PolarHBondContact O-N 3.27Å; T798-V802 HydrophobicContact CG2-CG2 4.22Å; T798-V802 WeakPolarHBondContact O-CB 3.1Å; T798-V802 VanDerWaalsContact O-CG2 3.29Å; T798-V802 WeakPolarHBondContact O-CG2 3.48Å; T798-V802 PolarHBondContact O-N 3.28Å
799H96.8Very high94.7Very high21 Ų2156 Ų5610%0.09729%0.293CS..Hα-helixtrans-55.7-54.7174.117491.3000110.7C780 C783 E785 H795 M796 A801 V802 S803 H805C780-H799 PolarHBondContact SG-NE2 2.91Å; C783-H799 PolarHBondContact SG-CE1 2.59Å; C783-H799 PolarHBondContact SG-NE2 2.84Å; C783-H799 VanDerWaalsContact SG-NE2 3.38Å; E785-H799 IonicContact OE2-CE1 2.67Å; E785-H799 PolarHBondContact OE2-CE1 2.9Å; E785-H799 IonicContact OE2-ND1 2.94Å; E785-H799 PolarHBondContact OE2-ND1 3.28Å; H795-H799 VanDerWaalsContact O-CB 3.31Å; H795-H799 WeakPolarHBondContact O-CB 3.44Å; H795-H799 PolarHBondContact O-N 3.18Å; M796-H799 PolarHBondContact O-N 2.78Å; M796-H799 HydrophobicContact SD-CB 4.1Å; H799-A801 VanDerWaalsContact C-N 3.29Å; H799-A801 PolarHBondContact O-N 3.19Å; H799-V802 PolarHBondContact O-N 2.71Å; H799-S803 PolarHBondContact NE2-OG 3.11Å; H799-S803 WeakPolarHBondContact O-CB 3.46Å; H799-S803 PolarHBondContact O-N 3.28Å; H799-S803 PolarHBondContact O-OG 3.21Å; H799-H805 AromaticContact CE1-ND1 3.72Å; H799-H805 AromaticContact NE2-CG 3.93Å; H799-H805 AromaticContact NE2-ND1 3.08Å; H799-H805 PolarHBondContact NE2-ND1 2.69Å
800G93.8Very high94.9Very high8 Ų856.1 Ų56.18%0.08229%0.294CS..Hα-helixtrans-59.2-37.4-179.800000113.4M796 V797 E804 H805M796-G800 PolarHBondContact O-N 3.21Å; V797-G800 PolarHBondContact O-N 2.97Å; G800-E804 CarbonylContact O-C 3.53Å; G800-E804 VanDerWaalsContact O-CA 3.28Å; G800-E804 WeakPolarHBondContact O-CA 3.3Å; G800-E804 PolarHBondContact O-N 2.71Å; G800-E804 VanDerWaalsContact O-N 3.11Å; G800-H805 WeakPolarHBondContact CA-O 3.27Å; G800-H805 PolarHBondContact O-N 2.76Å
801A90.1Very high95.1Very high79 Ų7952 Ų5265%0.65328%0.278SS*.Hα-helixtrans-72.8-35.7176.800000114V797 T798 H799V797-A801 WeakPolarHBondContact O-CB 3.43Å; V797-A801 PolarHBondContact O-N 3.1Å; T798-A801 PolarHBondContact O-N 3.27Å; H799-A801 VanDerWaalsContact C-N 3.29Å; H799-A801 PolarHBondContact O-N 3.19Å
802V92.9Very high95.2Very high122 Ų12245.8 Ų45.874%0.73926%0.263SS*.Hα-helixtrans-85.1-32-177.2171.50000112.6T798 H799T798-V802 HydrophobicContact CG2-CG2 4.22Å; T798-V802 WeakPolarHBondContact O-CB 3.1Å; T798-V802 VanDerWaalsContact O-CG2 3.29Å; T798-V802 WeakPolarHBondContact O-CG2 3.48Å; T798-V802 PolarHBondContact O-N 3.28Å; H799-V802 PolarHBondContact O-N 2.71Å
803S93.1Very high95.2Very high39 Ų3948 Ų4827%0.27327%0.273SS..Hα-helixtrans-96.7-6.7-179.563.90000114.1H799 H805H799-S803 PolarHBondContact NE2-OG 3.11Å; H799-S803 WeakPolarHBondContact O-CB 3.46Å; H799-S803 PolarHBondContact O-N 3.28Å; H799-S803 PolarHBondContact O-OG 3.21Å; S803-H805 WeakPolarHBondContact CB-ND1 3.28Å; S803-H805 PolarHBondContact O-CD2 3.19Å; S803-H805 PolarHBondContact O-N 3.29Å; S803-H805 VanDerWaalsContact O-N 3.15Å; S803-H805 WeakPolarHBondContact OG-CB 3.42Å; S803-H805 PolarHBondContact OG-N 3.24Å; S803-H805 PolarHBondContact OG-ND1 2.59Å; S803-H805 VanDerWaalsContact OG-ND1 3.07Å
804E93.6Very high95.2Very high169 Ų16944.4 Ų44.479%0.7925%0.254SS*.  trans5719-170.1-56.7-178.2169.400113.6G800 P806G800-E804 CarbonylContact O-C 3.53Å; G800-E804 VanDerWaalsContact O-CA 3.28Å; G800-E804 WeakPolarHBondContact O-CA 3.3Å; G800-E804 PolarHBondContact O-N 2.71Å; G800-E804 VanDerWaalsContact O-N 3.11Å; E804-P806 VanDerWaalsContact O-CD 3.28Å; E804-P806 WeakPolarHBondContact O-CD 2.98Å
805H97.6Very high95.1Very high42 Ų4240.3 Ų40.319%0.19424%0.237CC..  trans-77.8113.5176.9-64.5160.5000111.2C780 T782 C783 H799 G800 S803C780-H805 VanDerWaalsContact SG-CB 3.5Å; T782-H805 WeakPolarHBondContact CG2-CD2 3.44Å; C783-H805 PolarHBondContact SG-ND1 3.21Å; H799-H805 AromaticContact CE1-ND1 3.72Å; H799-H805 AromaticContact NE2-CG 3.93Å; H799-H805 AromaticContact NE2-ND1 3.08Å; H799-H805 PolarHBondContact NE2-ND1 2.69Å; G800-H805 WeakPolarHBondContact CA-O 3.27Å; G800-H805 PolarHBondContact O-N 2.76Å; S803-H805 WeakPolarHBondContact CB-ND1 3.28Å; S803-H805 PolarHBondContact O-CD2 3.19Å; S803-H805 PolarHBondContact O-N 3.29Å; S803-H805 VanDerWaalsContact O-N 3.15Å; S803-H805 WeakPolarHBondContact OG-CB 3.42Å; S803-H805 PolarHBondContact OG-N 3.24Å; S803-H805 PolarHBondContact OG-ND1 2.59Å; S803-H805 VanDerWaalsContact OG-ND1 3.07Å
806P95.4Very high95.1Very high9 Ų938.4 Ų38.46%0.05823%0.228CC..  trans-97.6-7.1-16135.8-33.5000115.1H750 A753 E804 C818 Y819 L820H750-P806 HydrophobicContact CB-CB 3.99Å; H750-P806 HydrophobicContact CB-CG 3.8Å; A753-P806 HydrophobicContact CB-CG 3.51Å; E804-P806 VanDerWaalsContact O-CD 3.28Å; E804-P806 WeakPolarHBondContact O-CD 2.98Å; P806-C818 CarbonylContact O-C 3.6Å; P806-C818 WeakPolarHBondContact O-CA 3.3Å; P806-C818 PolarHBondContact O-SG 3.09Å; P806-C818 VanDerWaalsContact O-SG 3.35Å; P806-Y819 PolarHBondContact O-N 2.8Å; P806-L820 HydrophobicContact CB-CB 4.45Å; P806-L820 HydrophobicContact CB-CD1 3.66Å; P806-L820 HydrophobicContact CB-CG 3.84Å
807V97.7Very high95.1Very high1 Ų140.2 Ų40.21%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-128.6127.7-174.6-170.40000111.4H750 V754 L781 V816 L830H750-V807 HydrophobicContact CB-CG2 4.26Å; H750-V807 WeakPolarHBondContact O-CG2 3.39Å; V754-V807 HydrophobicContact CG2-CB 4.25Å; V754-V807 HydrophobicContact CG2-CG1 4.19Å; V754-V807 HydrophobicContact CG2-CG2 4.38Å; L781-V807 HydrophobicContact CB-CG1 4.49Å; L781-V807 HydrophobicContact CD1-CG1 3.97Å; L781-V807 PolarHBondContact N-O 2.82Å; V807-V816 HydrophobicContact CG1-CG1 3.44Å; V807-V816 VanDerWaalsContact CG1-CG1 3.44Å; V807-L830 HydrophobicContact CG1-CD2 4.23Å
808V98.1Very high95.2Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-134.9148.1-176.7-61.90000111.6W778 I779 M796 V816 W817 Y819W778-V808 HydrophobicContact CE3-CB 4.15Å; W778-V808 HydrophobicContact CE3-CG2 3.58Å; W778-V808 HydrophobicContact CZ3-CG2 3.95Å; I779-V808 CarbonylContact O-C 3.58Å; I779-V808 WeakPolarHBondContact O-CA 3.44Å; M796-V808 HydrophobicContact CG-CB 4.24Å; M796-V808 HydrophobicContact CG-CG1 3.78Å; M796-V808 HydrophobicContact SD-CG1 3.68Å; V808-V816 CarbonylContact O-C 3.58Å; V808-V816 VanDerWaalsContact O-CA 3.32Å; V808-V816 WeakPolarHBondContact O-CA 3.41Å; V808-V816 WeakPolarHBondContact O-CG1 3.26Å; V808-W817 HydrophobicContact CG2-CB 4.04Å; V808-W817 PolarHBondContact N-O 2.72Å; V808-W817 PolarHBondContact O-N 2.84Å; V808-Y819 HydrophobicContact CB-CE2 4.36Å; V808-Y819 HydrophobicContact CG1-CD2 4.25Å; V808-Y819 HydrophobicContact CG1-CE2 3.58Å; V808-Y819 HydrophobicContact CG2-CD2 4.45Å; V808-Y819 HydrophobicContact CG2-CE2 3.76Å
809L97.9Very high95Very high1 Ų137 Ų371%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-112.8132.4177.9178.2150.8000110.4W778 I779 L781 F811 L814 S815 V816 A833 K834 A837W778-L809 CarbonylContact C-O 3.51Å; W778-L809 WeakPolarHBondContact CA-O 3.46Å; I779-L809 HydrophobicContact CG2-CB 3.88Å; I779-L809 HydrophobicContact CG2-CD2 3.95Å; I779-L809 PolarHBondContact N-O 3.5Å; I779-L809 PolarHBondContact O-N 2.96Å; L781-L809 HydrophobicContact CD1-CB 4.29Å; L781-L809 HydrophobicContact CD2-CB 3.91Å; L781-L809 HydrophobicContact CG-CB 4.2Å; L809-F811 HydrophobicContact CD2-CD1 3.95Å; L809-F811 HydrophobicContact CD2-CE1 4.24Å; L809-L814 HydrophobicContact CD2-CD2 4.29Å; L809-S815 WeakPolarHBondContact CA-O 3.25Å; L809-V816 HydrophobicContact CB-CG2 4.09Å; L809-V816 HydrophobicContact CD1-CG2 3.98Å; L809-V816 HydrophobicContact CG-CG2 4.14Å; L809-A833 HydrophobicContact CD1-CB 4.48Å; L809-K834 HydrophobicContact CD1-CB 4.45Å; L809-K834 HydrophobicContact CD1-CG 3.69Å; L809-A837 HydrophobicContact CD1-CB 4.39Å; L809-A837 HydrophobicContact CD2-CB 3.9Å
810S96.9Very high94.7Very high3 Ų341.7 Ų41.72%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-80.5131177.3161.90000111.3S812 D813 L814 S815S810-S812 VanDerWaalsContact C-N 3.32Å; S810-S812 PolarHBondContact OG-N 3.22Å; S810-S812 VanDerWaalsContact OG-N 3.16Å; S810-D813 WeakPolarHBondContact CB-OD1 3.49Å; S810-D813 PolarHBondContact OG-N 2.74Å; S810-D813 PolarHBondContact OG-OD1 2.67Å; S810-L814 WeakPolarHBondContact O-CA 3.23Å; S810-L814 PolarHBondContact O-N 3.01Å; S810-S815 PolarHBondContact N-O 3.08Å
811F95.8Very high94.7Very high11 Ų1143.3 Ų43.35%0.04825%0.246CC..THydrogen-bonded Turntrans-78.1-17.2170.6-65.1-22.9000112.8V762 D763 V764 N777 I779 V786 L809 K841V762-F811 HydrophobicContact CG1-CE1 3.78Å; V762-F811 HydrophobicContact CG1-CZ 4.11Å; D763-F811 WeakPolarHBondContact O-CE2 3.36Å; D763-F811 WeakPolarHBondContact O-CZ 3.49Å; V764-F811 HydrophobicContact CB-CB 4.44Å; V764-F811 HydrophobicContact CB-CD1 4.1Å; V764-F811 HydrophobicContact CB-CD2 4.4Å; V764-F811 HydrophobicContact CB-CE1 4.37Å; V764-F811 HydrophobicContact CB-CG 4.1Å; V764-F811 HydrophobicContact CG1-CD1 3.81Å; V764-F811 HydrophobicContact CG1-CE1 3.93Å; V764-F811 HydrophobicContact CG1-CG 4.32Å; V764-F811 VanDerWaalsContact O-CD2 3.26Å; V764-F811 WeakPolarHBondContact O-CD2 3.21Å; N777-F811 HydrophobicContact CB-CD2 3.93Å; N777-F811 VanDerWaalsContact O-CB 3.32Å; N777-F811 WeakPolarHBondContact O-CB 3.44Å; N777-F811 PolarHBondContact O-N 3.03Å; I779-F811 HydrophobicContact CB-CE1 3.71Å; I779-F811 HydrophobicContact CB-CZ 3.68Å; I779-F811 HydrophobicContact CD1-CE1 4.47Å; I779-F811 HydrophobicContact CD1-CZ 4.09Å; I779-F811 HydrophobicContact CG1-CZ 4.43Å; I779-F811 HydrophobicContact CG2-CD1 4.32Å; I779-F811 HydrophobicContact CG2-CE1 3.49Å; I779-F811 VanDerWaalsContact CG2-CE1 3.49Å; I779-F811 HydrophobicContact CG2-CZ 4Å; V786-F811 HydrophobicContact CG1-CD2 4.48Å; V786-F811 HydrophobicContact CG1-CE2 3.73Å; V786-F811 HydrophobicContact CG1-CZ 4.48Å; V786-F811 HydrophobicContact CG2-CE2 4Å; V786-F811 HydrophobicContact CG2-CZ 3.97Å; L809-F811 HydrophobicContact CD2-CD1 3.95Å; L809-F811 HydrophobicContact CD2-CE1 4.24Å; F811-K841 PolarHBondContact O-NZ 3.45Å
812S91.5Very high94.8Very high61 Ų6146 Ų4643%0.42725%0.245SC..THydrogen-bonded Turntrans-69.7-46.4-179.8-65.80000112.4S810 K841S810-S812 VanDerWaalsContact C-N 3.32Å; S810-S812 PolarHBondContact OG-N 3.22Å; S810-S812 VanDerWaalsContact OG-N 3.16Å; S812-K841 PolarHBondContact O-NZ 3.18Å
813D92.2Very high94.9Very high96 Ų9641.5 Ų41.551%0.51322%0.219SC..THydrogen-bonded Turntrans-1340.8-170.267.7-14.8000114.1S810 S815S810-D813 WeakPolarHBondContact CB-OD1 3.49Å; S810-D813 PolarHBondContact OG-N 2.74Å; S810-D813 PolarHBondContact OG-OD1 2.67Å; D813-S815 VanDerWaalsContact CG-OG 3.25Å; D813-S815 PolarHBondContact O-N 3.37Å; D813-S815 WeakPolarHBondContact OD1-CB 3.41Å; D813-S815 PolarHBondContact OD1-N 2.77Å; D813-S815 VanDerWaalsContact OD1-N 3.15Å; D813-S815 PolarHBondContact OD1-OG 3.39Å; D813-S815 WeakPolarHBondContact OD2-CB 3.22Å; D813-S815 PolarHBondContact OD2-OG 3.02Å; D813-S815 VanDerWaalsContact OD2-OG 3.1Å
814L94.1Very high95Very high17 Ų1743.2 Ų43.29%0.08922%0.22CC..  trans59.321.3-177.7-48.5-179.3000113.7L809 S810 K834 A837 H838 K841 F842L809-L814 HydrophobicContact CD2-CD2 4.29Å; S810-L814 WeakPolarHBondContact O-CA 3.23Å; S810-L814 PolarHBondContact O-N 3.01Å; L814-K834 WeakPolarHBondContact O-CE 3.44Å; L814-K834 PolarHBondContact O-NZ 2.9Å; L814-A837 HydrophobicContact CD2-CB 3.79Å; L814-H838 HydrophobicContact CD1-CB 3.84Å; L814-K841 HydrophobicContact CD2-CD 4.44Å; L814-F842 HydrophobicContact CD1-CE2 4.02Å
815S95.3Very high95.1Very high19 Ų1935.3 Ų35.313%0.13318%0.183CC..  trans-69.7153.8166.468.20000110.3L809 S810 D813 Y824L809-S815 WeakPolarHBondContact CA-O 3.25Å; S810-S815 PolarHBondContact N-O 3.08Å; D813-S815 VanDerWaalsContact CG-OG 3.25Å; D813-S815 PolarHBondContact O-N 3.37Å; D813-S815 WeakPolarHBondContact OD1-CB 3.41Å; D813-S815 PolarHBondContact OD1-N 2.77Å; D813-S815 VanDerWaalsContact OD1-N 3.15Å; D813-S815 PolarHBondContact OD1-OG 3.39Å; D813-S815 WeakPolarHBondContact OD2-CB 3.22Å; D813-S815 PolarHBondContact OD2-OG 3.02Å; D813-S815 VanDerWaalsContact OD2-OG 3.1Å; S815-Y824 WeakPolarHBondContact OG-CE1 3.07Å
816V97.4Very high94.9Very high2 Ų236.2 Ų36.21%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-120.1126.6175.4175.90000108L781 V807 V808 L809 Y824 V825 L830 K834L781-V816 HydrophobicContact CD1-CG1 4.18Å; L781-V816 HydrophobicContact CD1-CG2 4.46Å; V807-V816 HydrophobicContact CG1-CG1 3.44Å; V807-V816 VanDerWaalsContact CG1-CG1 3.44Å; V808-V816 CarbonylContact O-C 3.58Å; V808-V816 VanDerWaalsContact O-CA 3.32Å; V808-V816 WeakPolarHBondContact O-CA 3.41Å; V808-V816 WeakPolarHBondContact O-CG1 3.26Å; L809-V816 HydrophobicContact CB-CG2 4.09Å; L809-V816 HydrophobicContact CD1-CG2 3.98Å; L809-V816 HydrophobicContact CG-CG2 4.14Å; V816-Y824 CarbonylContact O-C 3.56Å; V816-Y824 WeakPolarHBondContact O-CA 3.43Å; V816-V825 PolarHBondContact O-N 2.81Å; V816-L830 HydrophobicContact CB-CD1 3.95Å; V816-L830 HydrophobicContact CG1-CD1 3.74Å; V816-L830 HydrophobicContact CG1-CD2 3.99Å; V816-L830 HydrophobicContact CG1-CG 4.47Å; V816-L830 HydrophobicContact CG2-CD1 4.17Å; V816-K834 HydrophobicContact CG2-CD 4.01Å; V816-K834 HydrophobicContact CG2-CG 4.08Å
817W97.3Very high94.9Very high39 Ų3938.6 Ų38.615%0.14820%0.198CC..EExtended strand (participates in β ladder)trans-110.3140.4180-177.8-93.8000110.3W778 V808 Y819 E822 S823 Y824W778-W817 HydrophobicContact CH2-CB 4.08Å; W778-W817 HydrophobicContact CZ3-CB 3.63Å; V808-W817 HydrophobicContact CG2-CB 4.04Å; V808-W817 PolarHBondContact N-O 2.72Å; V808-W817 PolarHBondContact O-N 2.84Å; W817-Y819 AromaticContact CD1-CD1 3.47Å; W817-Y819 VanDerWaalsContact CD1-CD1 3.47Å; W817-Y819 AromaticContact CD1-CE1 3.62Å; W817-Y819 AromaticContact NE1-CD1 3.45Å; W817-Y819 AromaticContact NE1-CE1 3.85Å; W817-E822 WeakPolarHBondContact CH2-O 3.49Å; W817-E822 VanDerWaalsContact CZ2-CA 3.47Å; W817-E822 HydrophobicContact CZ2-CB 4.12Å; W817-E822 WeakPolarHBondContact CZ2-O 3.28Å; W817-S823 VanDerWaalsContact CE3-C 3.46Å; W817-Y824 HydrophobicContact CB-CD1 4.5Å; W817-Y824 AromaticContact CE3-CD1 3.85Å; W817-Y824 HydrophobicContact CE3-CD1 3.85Å; W817-Y824 AromaticContact CE3-CD2 3.83Å; W817-Y824 HydrophobicContact CE3-CD2 3.83Å; W817-Y824 AromaticContact CE3-CE1 3.84Å; W817-Y824 HydrophobicContact CE3-CE1 3.84Å; W817-Y824 AromaticContact CE3-CE2 3.85Å; W817-Y824 HydrophobicContact CE3-CE2 3.85Å; W817-Y824 AromaticContact CE3-CG 3.85Å; W817-Y824 HydrophobicContact CE3-CG 3.85Å; W817-Y824 AromaticContact CE3-CZ 3.85Å; W817-Y824 AromaticContact CZ3-CD2 3.77Å; W817-Y824 HydrophobicContact CZ3-CD2 3.77Å; W817-Y824 AromaticContact CZ3-CE2 3.72Å; W817-Y824 HydrophobicContact CZ3-CE2 3.72Å; W817-Y824 HydrophobicContact CZ3-CG 4.24Å
818C96.7Very high94.7Very high0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-108.4116169-1790000110.4H750 P806 L820 C821 E822 S823 V825H750-C818 PolarHBondContact ND1-SG 3.46Å; H750-C818 VanDerWaalsContact ND1-SG 3.4Å; P806-C818 CarbonylContact O-C 3.6Å; P806-C818 WeakPolarHBondContact O-CA 3.3Å; P806-C818 PolarHBondContact O-SG 3.09Å; P806-C818 VanDerWaalsContact O-SG 3.35Å; C818-L820 VanDerWaalsContact C-N 3.34Å; C818-L820 PolarHBondContact O-N 3.08Å; C818-C821 HydrophobicContact CB-CB 4.04Å; C818-C821 PolarHBondContact O-N 2.99Å; C818-E822 PolarHBondContact O-N 3.44Å; C818-S823 PolarHBondContact N-O 3.47Å; C818-V825 HydrophobicContact CB-CG2 3.67Å
819Y91.8Very high94.5Very high39 Ų3949.1 Ų49.115%0.15325%0.251CS..THydrogen-bonded Turntrans-63.7-37-178.1-73.8-53000113.1M796 V797 P806 V808 W817M796-Y819 HydrophobicContact CG-CE2 4.36Å; M796-Y819 WeakPolarHBondContact CG-OH 3.49Å; V797-Y819 HydrophobicContact CG2-CE1 4.08Å; V797-Y819 PolarHBondContact N-OH 3.13Å; P806-Y819 PolarHBondContact O-N 2.8Å; V808-Y819 HydrophobicContact CB-CE2 4.36Å; V808-Y819 HydrophobicContact CG1-CD2 4.25Å; V808-Y819 HydrophobicContact CG1-CE2 3.58Å; V808-Y819 HydrophobicContact CG2-CD2 4.45Å; V808-Y819 HydrophobicContact CG2-CE2 3.76Å; W817-Y819 AromaticContact CD1-CD1 3.47Å; W817-Y819 VanDerWaalsContact CD1-CD1 3.47Å; W817-Y819 AromaticContact CD1-CE1 3.62Å; W817-Y819 AromaticContact NE1-CD1 3.45Å; W817-Y819 AromaticContact NE1-CE1 3.85Å
820L90.3Very high94.4Very high119 Ų11949.1 Ų49.162%0.62325%0.251SS*.THydrogen-bonded Turntrans-80.2-15.7-179.2-62.9-178.9000113.8H750 P806 C818H750-L820 WeakPolarHBondContact CE1-CB 3.19Å; P806-L820 HydrophobicContact CB-CB 4.45Å; P806-L820 HydrophobicContact CB-CD1 3.66Å; P806-L820 HydrophobicContact CB-CG 3.84Å; C818-L820 VanDerWaalsContact C-N 3.34Å; C818-L820 PolarHBondContact O-N 3.08Å
821C92.1Very high94.2Very high41 Ų4151.5 Ų51.528%0.27726%0.261SS..THydrogen-bonded Turntrans-104.2-6174-66.70000113.5L745 H750 C818 S823L745-C821 HydrophobicContact CD1-CB 4.18Å; H750-C821 VanDerWaalsContact CE1-SG 3.53Å; H750-C821 PolarHBondContact ND1-SG 3.26Å; C818-C821 HydrophobicContact CB-CB 4.04Å; C818-C821 PolarHBondContact O-N 2.99Å; C821-S823 PolarHBondContact O-N 2.8Å; C821-S823 VanDerWaalsContact O-N 3.11Å
822E92.8Very high94Very high137 Ų13756.4 Ų56.464%0.6428%0.284SS*.THydrogen-bonded Turntrans43.941.2-174.2-59.4-167.1143.100114.1W817 C818W817-E822 WeakPolarHBondContact CH2-O 3.49Å; W817-E822 VanDerWaalsContact CZ2-CA 3.47Å; W817-E822 HydrophobicContact CZ2-CB 4.12Å; W817-E822 WeakPolarHBondContact CZ2-O 3.28Å; C818-E822 PolarHBondContact O-N 3.44Å
823S94.3Very high94.1Very high27 Ų2753.7 Ų53.719%0.18927%0.266CS..EExtended strand (participates in β ladder)trans-148158.7-178.6-168.80000111.7W817 C818 C821W817-S823 VanDerWaalsContact CE3-C 3.46Å; C818-S823 PolarHBondContact N-O 3.47Å; C821-S823 PolarHBondContact O-N 2.8Å; C821-S823 VanDerWaalsContact O-N 3.11Å
824Y96.6Very high94.2Very high75 Ų7550.5 Ų50.529%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-70.5147.1166.6-66.3-78.3000110V742 P744 L745 W778 S815 V816 W817V742-Y824 HydrophobicContact CG1-CD2 3.64Å; V742-Y824 HydrophobicContact CG1-CE2 4.16Å; P744-Y824 CarbonylContact C-O 3.54Å; P744-Y824 WeakPolarHBondContact CA-O 3.49Å; L745-Y824 PolarHBondContact N-O 2.97Å; W778-Y824 HydrophobicContact CH2-CE1 4.37Å; S815-Y824 WeakPolarHBondContact OG-CE1 3.07Å; V816-Y824 CarbonylContact O-C 3.56Å; V816-Y824 WeakPolarHBondContact O-CA 3.43Å; W817-Y824 HydrophobicContact CB-CD1 4.5Å; W817-Y824 AromaticContact CE3-CD1 3.85Å; W817-Y824 HydrophobicContact CE3-CD1 3.85Å; W817-Y824 AromaticContact CE3-CD2 3.83Å; W817-Y824 HydrophobicContact CE3-CD2 3.83Å; W817-Y824 AromaticContact CE3-CE1 3.84Å; W817-Y824 HydrophobicContact CE3-CE1 3.84Å; W817-Y824 AromaticContact CE3-CE2 3.85Å; W817-Y824 HydrophobicContact CE3-CE2 3.85Å; W817-Y824 AromaticContact CE3-CG 3.85Å; W817-Y824 HydrophobicContact CE3-CG 3.85Å; W817-Y824 AromaticContact CE3-CZ 3.85Å; W817-Y824 AromaticContact CZ3-CD2 3.77Å; W817-Y824 HydrophobicContact CZ3-CD2 3.77Å; W817-Y824 AromaticContact CZ3-CE2 3.72Å; W817-Y824 HydrophobicContact CZ3-CE2 3.72Å; W817-Y824 HydrophobicContact CZ3-CG 4.24Å
825V95.4Very high94.1Very high3 Ų352.7 Ų52.72%0.01826%0.259CS..BIsolated β-bridgetrans-127.8134.6-177.6-172.90000109.8L745 C748 L751 V816 C818 L830L745-V825 WeakPolarHBondContact O-CA 3.43Å; C748-V825 HydrophobicContact CB-CG2 4.44Å; L751-V825 HydrophobicContact CD1-CG1 4.4Å; L751-V825 HydrophobicContact CD2-CG1 4.06Å; L751-V825 HydrophobicContact CG-CG1 4.47Å; V816-V825 PolarHBondContact O-N 2.81Å; C818-V825 HydrophobicContact CB-CG2 3.67Å; V825-L830 HydrophobicContact CB-CD1 4.28Å; V825-L830 HydrophobicContact CG1-CD1 4.13Å; V825-L830 WeakPolarHBondContact O-CD1 3.26Å
826H93.4Very high94Very high61 Ų6153 Ų5328%0.28226%0.263SS..  trans-127.5106.9173.9-174.9109.9000109.1P744 L745 P746 F831 W849P744-H826 HydrophobicContact CB-CB 3.96Å; P744-H826 HydrophobicContact CG-CB 3.72Å; L745-H826 PolarHBondContact O-N 3.48Å; P746-H826 CarbonylContact C-O 3.38Å; P746-H826 VanDerWaalsContact CA-O 3.27Å; P746-H826 WeakPolarHBondContact CA-O 3.19Å; P746-H826 VanDerWaalsContact O-O 3.09Å; H826-F831 AromaticContact NE2-CE1 3.48Å; H826-F831 WeakPolarHBondContact NE2-CE1 3.32Å; H826-F831 AromaticContact NE2-CZ 3.69Å; H826-W849 AromaticContact CE1-CH2 3.88Å; H826-W849 AromaticContact CE1-CZ3 3.82Å
827H95.2Very high93.8Very high59 Ų5952.9 Ų52.927%0.27326%0.262SS..  trans-148.4153.5-179-176.5-104.7000110.5P746 W747 L751 V829 L830P746-H827 WeakPolarHBondContact O-CB 3.14Å; P746-H827 PolarHBondContact O-CD2 3.28Å; W747-H827 AromaticContact CD1-NE2 3.87Å; L751-H827 HydrophobicContact CD1-CB 3.69Å; L751-H827 HydrophobicContact CD2-CB 4.24Å; H827-V829 VanDerWaalsContact C-N 3.26Å; H827-V829 PolarHBondContact ND1-N 3.18Å; H827-V829 PolarHBondContact O-N 3.46Å; H827-V829 VanDerWaalsContact O-N 3.17Å; H827-L830 VanDerWaalsContact O-CB 3.31Å; H827-L830 WeakPolarHBondContact O-CB 3.38Å; H827-L830 PolarHBondContact O-N 2.9Å
828Q93.4Very high93.6Very high150 Ų15052.4 Ų52.470%0.70126%0.262SS*.G310 helixtrans-57.3-33.5-174-170.4178.9500113.8L830 F831Q828-L830 PolarHBondContact O-N 3.09Å; Q828-L830 VanDerWaalsContact O-N 3.14Å; Q828-F831 HydrophobicContact CG-CD2 4.15Å; Q828-F831 HydrophobicContact CG-CE2 4.36Å; Q828-F831 VanDerWaalsContact O-CB 3.31Å; Q828-F831 WeakPolarHBondContact O-CB 3.47Å; Q828-F831 WeakPolarHBondContact O-CG 3.33Å; Q828-F831 PolarHBondContact O-N 2.98Å
829V94.4Very high93.4Very high71 Ų7157.8 Ų57.843%0.4329%0.285SS..G310 helixtrans-55.7-28.1174139.80000113L751 V754 H827 F831L751-V829 HydrophobicContact CD2-CG1 4.25Å; V754-V829 HydrophobicContact CB-CG1 3.87Å; V754-V829 HydrophobicContact CG1-CG1 3.94Å; V754-V829 HydrophobicContact CG2-CG1 4.06Å; H827-V829 VanDerWaalsContact C-N 3.26Å; H827-V829 PolarHBondContact ND1-N 3.18Å; H827-V829 PolarHBondContact O-N 3.46Å; H827-V829 VanDerWaalsContact O-N 3.17Å; V829-F831 VanDerWaalsContact C-N 3.34Å
830L94.9Very high93.5Very high1 Ų157.6 Ų57.61%0.00529%0.291CS..G310 helixtrans-82.9-12.1-178.7-55.8173000112.7L751 V754 L781 V807 V816 V825 H827 Q828 E832 A833 K834L751-L830 HydrophobicContact CD2-CD1 4.1Å; L751-L830 HydrophobicContact CD2-CD2 3.91Å; L751-L830 HydrophobicContact CD2-CG 3.96Å; V754-L830 HydrophobicContact CG2-CD2 3.88Å; L781-L830 HydrophobicContact CD1-CD2 3.68Å; V807-L830 HydrophobicContact CG1-CD2 4.23Å; V816-L830 HydrophobicContact CB-CD1 3.95Å; V816-L830 HydrophobicContact CG1-CD1 3.74Å; V816-L830 HydrophobicContact CG1-CD2 3.99Å; V816-L830 HydrophobicContact CG1-CG 4.47Å; V816-L830 HydrophobicContact CG2-CD1 4.17Å; V825-L830 HydrophobicContact CB-CD1 4.28Å; V825-L830 HydrophobicContact CG1-CD1 4.13Å; V825-L830 WeakPolarHBondContact O-CD1 3.26Å; H827-L830 VanDerWaalsContact O-CB 3.31Å; H827-L830 WeakPolarHBondContact O-CB 3.38Å; H827-L830 PolarHBondContact O-N 2.9Å; Q828-L830 PolarHBondContact O-N 3.09Å; Q828-L830 VanDerWaalsContact O-N 3.14Å; L830-E832 VanDerWaalsContact C-N 3.35Å; L830-E832 PolarHBondContact O-N 3.39Å; L830-A833 PolarHBondContact O-N 3.1Å; L830-K834 HydrophobicContact CB-CD 4.27Å; L830-K834 HydrophobicContact CB-CG 4.49Å; L830-K834 WeakPolarHBondContact O-CB 3.4Å; L830-K834 WeakPolarHBondContact O-CG 3.45Å; L830-K834 PolarHBondContact O-N 3.28Å
831F92.6Very high93.5Very high53 Ų5355 Ų5523%0.23228%0.275CS..Hα-helixtrans-65.6-36.1-171.4-727.8000112.3H826 Q828 V829 K834 N835 W849H826-F831 AromaticContact NE2-CE1 3.48Å; H826-F831 WeakPolarHBondContact NE2-CE1 3.32Å; H826-F831 AromaticContact NE2-CZ 3.69Å; Q828-F831 HydrophobicContact CG-CD2 4.15Å; Q828-F831 HydrophobicContact CG-CE2 4.36Å; Q828-F831 VanDerWaalsContact O-CB 3.31Å; Q828-F831 WeakPolarHBondContact O-CB 3.47Å; Q828-F831 WeakPolarHBondContact O-CG 3.33Å; Q828-F831 PolarHBondContact O-N 2.98Å; V829-F831 VanDerWaalsContact C-N 3.34Å; F831-K834 PolarHBondContact O-N 2.89Å; F831-N835 WeakPolarHBondContact O-CB 3.48Å; F831-N835 PolarHBondContact O-N 2.95Å; F831-N835 PolarHBondContact O-ND2 3.37Å; F831-N835 PolarHBondContact O-OD1 3.06Å; F831-W849 AromaticContact CE2-NE1 3.99Å
832E91.8Very high93.5Very high114 Ų11458.5 Ų58.553%0.53329%0.286SS..Hα-helixtrans-60.2-50.7177.2-165.6-172.2167.400111.1L757 L830 A836L757-E832 HydrophobicContact CD1-CG 3.77Å; L757-E832 HydrophobicContact CG-CG 4.08Å; L830-E832 VanDerWaalsContact C-N 3.35Å; L830-E832 PolarHBondContact O-N 3.39Å; E832-A836 WeakPolarHBondContact O-CB 3.43Å; E832-A836 PolarHBondContact O-N 3.08Å
833A93.7Very high93.4Very high4 Ų454.6 Ų54.63%0.03328%0.282CS..Hα-helixtrans-66.8-40.9178.400000113L757 L781 L809 L830 A837L757-A833 HydrophobicContact CD2-CB 4.38Å; L781-A833 HydrophobicContact CD1-CB 4.43Å; L781-A833 HydrophobicContact CD2-CB 3.82Å; L809-A833 HydrophobicContact CD1-CB 4.48Å; L830-A833 PolarHBondContact O-N 3.1Å; A833-A837 WeakPolarHBondContact O-CB 3.35Å; A833-A837 PolarHBondContact O-N 2.76Å
834K93.9Very high93.2Very high30 Ų3059.1 Ų59.113%0.1330%0.3CS..Hα-helixtrans-66.3-41.3177.3-72.5-174.767.7159.40112.3L809 L814 V816 L830 F831 A837 H838L809-K834 HydrophobicContact CD1-CB 4.45Å; L809-K834 HydrophobicContact CD1-CG 3.69Å; L814-K834 WeakPolarHBondContact O-CE 3.44Å; L814-K834 PolarHBondContact O-NZ 2.9Å; V816-K834 HydrophobicContact CG2-CD 4.01Å; V816-K834 HydrophobicContact CG2-CG 4.08Å; L830-K834 HydrophobicContact CB-CD 4.27Å; L830-K834 HydrophobicContact CB-CG 4.49Å; L830-K834 WeakPolarHBondContact O-CB 3.4Å; L830-K834 WeakPolarHBondContact O-CG 3.45Å; L830-K834 PolarHBondContact O-N 3.28Å; F831-K834 PolarHBondContact O-N 2.89Å; K834-A837 PolarHBondContact O-N 3.39Å; K834-H838 VanDerWaalsContact O-CB 3.32Å; K834-H838 WeakPolarHBondContact O-CB 3.45Å; K834-H838 PolarHBondContact O-N 3.23Å
835N92Very high92.4Very high63 Ų6361.5 Ų61.534%0.33732%0.318SS..Hα-helixtrans-67.6-41.9178-680.6000111.1F831 H838 F839 V846F831-N835 WeakPolarHBondContact O-CB 3.48Å; F831-N835 PolarHBondContact O-N 2.95Å; F831-N835 PolarHBondContact O-ND2 3.37Å; F831-N835 PolarHBondContact O-OD1 3.06Å; N835-H838 PolarHBondContact O-N 3.31Å; N835-F839 WeakPolarHBondContact O-CB 3.37Å; N835-F839 PolarHBondContact O-N 2.89Å; N835-V846 HydrophobicContact CB-CG2 4.34Å; N835-V846 VanDerWaalsContact OD1-CG2 3.3Å; N835-V846 WeakPolarHBondContact OD1-CG2 3.21Å
836A93.1Very high91.6Very high25 Ų2562.8 Ų62.821%0.20733%0.326CS..Hα-helixtrans-63.3-43.6175.100000112.4L757 V762 E832 F839 A840L757-A836 HydrophobicContact CD1-CB 3.5Å; L757-A836 VanDerWaalsContact CD1-CB 3.5Å; L757-A836 HydrophobicContact CD2-CB 4.32Å; V762-A836 HydrophobicContact CB-CB 4.5Å; V762-A836 HydrophobicContact CG2-CB 4.09Å; E832-A836 WeakPolarHBondContact O-CB 3.43Å; E832-A836 PolarHBondContact O-N 3.08Å; A836-F839 PolarHBondContact O-N 2.72Å; A836-A840 VanDerWaalsContact O-CB 3.28Å; A836-A840 WeakPolarHBondContact O-CB 3.4Å; A836-A840 PolarHBondContact O-N 2.86Å
837A94.1Very high90.7Very high0 Ų064.1 Ų64.10%034%0.34CS..Hα-helixtrans-65.3-38.2175.200000112.3V762 V764 L809 L814 A833 K834 K841V762-A837 HydrophobicContact CG1-CB 4.22Å; V764-A837 HydrophobicContact CG1-CB 3.96Å; V764-A837 WeakPolarHBondContact CG1-O 3.41Å; L809-A837 HydrophobicContact CD1-CB 4.39Å; L809-A837 HydrophobicContact CD2-CB 3.9Å; L814-A837 HydrophobicContact CD2-CB 3.79Å; A833-A837 WeakPolarHBondContact O-CB 3.35Å; A833-A837 PolarHBondContact O-N 2.76Å; K834-A837 PolarHBondContact O-N 3.39Å; A837-K841 VanDerWaalsContact O-CB 3.25Å; A837-K841 WeakPolarHBondContact O-CB 3.48Å; A837-K841 PolarHBondContact O-N 3.1Å
838H93.9Very high89.3Confident29 Ų2967.1 Ų67.113%0.13437%0.365CS..Hα-helixtrans-63-50.4174-173.1-83.8000111.9L814 K834 N835 A840 K841 F842 E844 V846L814-H838 HydrophobicContact CD1-CB 3.84Å; K834-H838 VanDerWaalsContact O-CB 3.32Å; K834-H838 WeakPolarHBondContact O-CB 3.45Å; K834-H838 PolarHBondContact O-N 3.23Å; N835-H838 PolarHBondContact O-N 3.31Å; H838-A840 VanDerWaalsContact C-N 3.33Å; H838-A840 PolarHBondContact O-N 3.4Å; H838-K841 PolarHBondContact O-N 3.15Å; H838-K841 VanDerWaalsContact O-N 3.08Å; H838-F842 AromaticContact CD2-CD2 3.55Å; H838-F842 AromaticContact CD2-CE2 3.81Å; H838-F842 AromaticContact CE1-CD2 3.83Å; H838-F842 AromaticContact CG-CD2 3.78Å; H838-F842 AromaticContact ND1-CD2 3.94Å; H838-F842 AromaticContact NE2-CD2 3.6Å; H838-F842 WeakPolarHBondContact O-CD2 3.46Å; H838-F842 PolarHBondContact O-N 2.76Å; H838-E844 PolarHBondContact ND1-O 3.21Å; H838-V846 HydrophobicContact CB-CG2 3.45Å; H838-V846 VanDerWaalsContact CB-CG2 3.45Å
839F92.6Very high87.6Confident113 Ų11366.7 Ų66.750%0.49636%0.357SS..Hα-helixtrans-61.3-42.4178.9-173.4-87.6000111.5N835 A836 K841 G843N835-F839 WeakPolarHBondContact O-CB 3.37Å; N835-F839 PolarHBondContact O-N 2.89Å; A836-F839 PolarHBondContact O-N 2.72Å; F839-K841 VanDerWaalsContact C-N 3.27Å; F839-K841 PolarHBondContact O-N 3.05Å; F839-G843 VanDerWaalsContact O-CA 3.27Å; F839-G843 WeakPolarHBondContact O-CA 3.42Å; F839-G843 PolarHBondContact O-N 2.8Å
840A92Very high84.7Confident34 Ų3472.3 Ų72.328%0.28140%0.399SS..Hα-helixtrans-63-31.8174.800000113.1V762 V764 F765 A836 H838V762-A840 VanDerWaalsContact O-CB 3.25Å; V762-A840 WeakPolarHBondContact O-CB 3.36Å; V764-A840 HydrophobicContact CG1-CB 4.12Å; V764-A840 HydrophobicContact CG2-CB 4.14Å; F765-A840 WeakPolarHBondContact CE2-O 3.39Å; A836-A840 VanDerWaalsContact O-CB 3.28Å; A836-A840 WeakPolarHBondContact O-CB 3.4Å; A836-A840 PolarHBondContact O-N 2.86Å; H838-A840 VanDerWaalsContact C-N 3.33Å; H838-A840 PolarHBondContact O-N 3.4Å
841K91.9Very high84.2Confident65 Ų6575.9 Ų75.928%0.28342%0.419SS..Hα-helixtrans-84.1-37.7-178.7-168.2167.3178.51740114.3V764 F811 S812 L814 A837 H838 F839V764-K841 HydrophobicContact CG2-CB 3.88Å; V764-K841 HydrophobicContact CG2-CG 4.35Å; F811-K841 PolarHBondContact O-NZ 3.45Å; S812-K841 PolarHBondContact O-NZ 3.18Å; L814-K841 HydrophobicContact CD2-CD 4.44Å; A837-K841 VanDerWaalsContact O-CB 3.25Å; A837-K841 WeakPolarHBondContact O-CB 3.48Å; A837-K841 PolarHBondContact O-N 3.1Å; H838-K841 PolarHBondContact O-N 3.15Å; H838-K841 VanDerWaalsContact O-N 3.08Å; F839-K841 VanDerWaalsContact C-N 3.27Å; F839-K841 PolarHBondContact O-N 3.05Å
842F92.2Very high83.8Confident115 Ų11577.1 Ų77.150%0.50443%0.429SS..Hα-helixtrans-119.7-14.6-168.6-58-66.4000114.2L814 H838 E844L814-F842 HydrophobicContact CD1-CE2 4.02Å; H838-F842 AromaticContact CD2-CD2 3.55Å; H838-F842 AromaticContact CD2-CE2 3.81Å; H838-F842 AromaticContact CE1-CD2 3.83Å; H838-F842 AromaticContact CG-CD2 3.78Å; H838-F842 AromaticContact ND1-CD2 3.94Å; H838-F842 AromaticContact NE2-CD2 3.6Å; H838-F842 WeakPolarHBondContact O-CD2 3.46Å; H838-F842 PolarHBondContact O-N 2.76Å; F842-E844 VanDerWaalsContact C-N 3.29Å; F842-E844 HydrophobicContact CB-CG 4.21Å
843G89.5Confident83.3Confident55 Ų5575.1 Ų75.157%0.56742%0.423SS*.SBendtrans77.310.4-179.300000114.9F839F839-G843 VanDerWaalsContact O-CA 3.27Å; F839-G843 WeakPolarHBondContact O-CA 3.42Å; F839-G843 PolarHBondContact O-N 2.8Å
844E89.7Confident82.7Confident121 Ų12179.2 Ų79.257%0.56545%0.446SS*.SBendtrans-137.3154.2-179.264.2-177.1-174.300112.1H838 F842H838-E844 PolarHBondContact ND1-O 3.21Å; F842-E844 VanDerWaalsContact C-N 3.29Å; F842-E844 HydrophobicContact CB-CG 4.21Å
845D79.9Confident82Confident125 Ų12582.3 Ų82.367%0.66847%0.466SS*.PPolyproline II helixtrans-66.8148.8175.7-69.5-50.2000111.2
846V79.8Confident81.4Confident31 Ų3183.6 Ų83.619%0.18847%0.474CS..PPolyproline II helixtrans-62128.5173.1-179.30000109N835 H838 W849N835-V846 HydrophobicContact CB-CG2 4.34Å; N835-V846 VanDerWaalsContact OD1-CG2 3.3Å; N835-V846 WeakPolarHBondContact OD1-CG2 3.21Å; H838-V846 HydrophobicContact CB-CG2 3.45Å; H838-V846 VanDerWaalsContact CB-CG2 3.45Å; V846-W849 HydrophobicContact CG1-CZ2 3.91Å
847P74Confident80.5Confident88 Ų8887.8 Ų87.857%0.57149%0.494SS*.PPolyproline II helixtrans-53.7140.6174.7-26.834.9000111.5W849P847-W849 PolarHBondContact O-N 3.08Å
848P64.8Low79.5Confident122 Ų12294.5 Ų94.579%0.79253%0.532SS*.PPolyproline II helixtrans-60.4123.5-17924.3-33.3000110.6S850P848-S850 PolarHBondContact O-N 3.17Å
849W58.3Low78.3Confident142 Ų142100 Ų10054%0.53857%0.565SS.*PPolyproline II helixtrans-56.4124.6176.6-49.388.6000110.2H826 F831 V846 P847H826-W849 AromaticContact CE1-CH2 3.88Å; H826-W849 AromaticContact CE1-CZ3 3.82Å; F831-W849 AromaticContact CE2-NE1 3.99Å; V846-W849 HydrophobicContact CG1-CZ2 3.91Å; P847-W849 PolarHBondContact O-N 3.08Å
850S34.6Very low77Confident189 Ų18998.8 Ų98.8100%1.32257%0.571SS**  trans-98.40179.763.70000112.3P848P848-S850 PolarHBondContact O-N 3.17Å

Retrieved 850 of 850 residues in 244.5 ms (Link to these results)

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